REMARK FINAL COORDINATES WRITTEN BY NAMD AT TIMESTEP 500 ATOM 1 H5T CYT A 8 43.597 48.286 30.210 1.00 0.00 SBOX ATOM 2 O5' CYT A 8 44.444 48.733 30.274 1.00 0.00 SBOX O ATOM 3 C5' CYT A 8 44.513 49.758 29.276 1.00 0.00 SBOX C ATOM 4 H5' CYT A 8 44.435 50.756 29.706 1.00 0.00 SBOX ATOM 5 H5'' CYT A 8 43.591 49.674 28.701 1.00 0.00 SBOX ATOM 6 C4' CYT A 8 45.665 49.728 28.292 1.00 0.00 SBOX C ATOM 7 H4' CYT A 8 45.527 50.422 27.463 1.00 0.00 SBOX ATOM 8 O4' CYT A 8 46.761 50.126 28.977 1.00 0.00 SBOX O ATOM 9 C1' CYT A 8 47.941 49.559 28.397 1.00 0.00 SBOX C ATOM 10 H1' CYT A 8 48.652 50.344 28.138 1.00 0.00 SBOX ATOM 11 N1 CYT A 8 48.679 48.569 29.265 1.00 0.00 SBOX N ATOM 12 C6 CYT A 8 47.996 47.992 30.372 1.00 0.00 SBOX C ATOM 13 H6 CYT A 8 46.938 48.143 30.527 1.00 0.00 SBOX ATOM 14 C5 CYT A 8 48.675 47.129 31.182 1.00 0.00 SBOX C ATOM 15 H5 CYT A 8 48.252 46.645 32.049 1.00 0.00 SBOX ATOM 16 C4 CYT A 8 50.029 46.919 30.809 1.00 0.00 SBOX C ATOM 17 N4 CYT A 8 50.665 45.906 31.302 1.00 0.00 SBOX N ATOM 18 H41 CYT A 8 51.658 45.837 31.133 1.00 0.00 SBOX ATOM 19 H42 CYT A 8 50.109 45.250 31.831 1.00 0.00 SBOX ATOM 20 N3 CYT A 8 50.727 47.616 29.966 1.00 0.00 SBOX N ATOM 21 C2 CYT A 8 50.044 48.468 29.187 1.00 0.00 SBOX C ATOM 22 O2 CYT A 8 50.623 49.082 28.282 1.00 0.00 SBOX O ATOM 23 C3' CYT A 8 45.985 48.386 27.679 1.00 0.00 SBOX C ATOM 24 H3' CYT A 8 46.042 47.608 28.441 1.00 0.00 SBOX ATOM 25 C2' CYT A 8 47.420 48.742 27.230 1.00 0.00 SBOX C ATOM 26 H2'' CYT A 8 48.078 47.912 26.975 1.00 0.00 SBOX ATOM 27 O2' CYT A 8 47.535 49.649 26.111 1.00 0.00 SBOX O ATOM 28 H2' CYT A 8 47.145 49.274 25.318 1.00 0.00 SBOX ATOM 29 O3' CYT A 8 45.217 48.003 26.525 1.00 0.00 SBOX O ATOM 30 P ADE A 9 43.915 47.083 26.530 1.00 0.00 SBOX P ATOM 31 O1P ADE A 9 44.320 45.664 26.550 1.00 0.00 SBOX ATOM 32 O2P ADE A 9 42.935 47.643 27.475 1.00 0.00 SBOX ATOM 33 O5' ADE A 9 43.260 47.407 25.101 1.00 0.00 SBOX O ATOM 34 C5' ADE A 9 43.784 46.926 23.877 1.00 0.00 SBOX C ATOM 35 H5' ADE A 9 43.906 45.843 23.909 1.00 0.00 SBOX ATOM 36 H5'' ADE A 9 44.715 47.466 23.702 1.00 0.00 SBOX ATOM 37 C4' ADE A 9 42.878 47.376 22.707 1.00 0.00 SBOX C ATOM 38 H4' ADE A 9 43.493 47.279 21.813 1.00 0.00 SBOX ATOM 39 O4' ADE A 9 41.724 46.577 22.613 1.00 0.00 SBOX O ATOM 40 C1' ADE A 9 40.572 47.275 23.182 1.00 0.00 SBOX C ATOM 41 H1' ADE A 9 39.802 47.388 22.418 1.00 0.00 SBOX ATOM 42 N9 ADE A 9 40.028 46.548 24.352 1.00 0.00 SBOX N ATOM 43 C8 ADE A 9 40.124 46.756 25.693 1.00 0.00 SBOX C ATOM 44 H8 ADE A 9 40.490 47.679 26.118 1.00 0.00 SBOX ATOM 45 N7 ADE A 9 39.643 45.735 26.382 1.00 0.00 SBOX N ATOM 46 C5 ADE A 9 39.292 44.770 25.378 1.00 0.00 SBOX C ATOM 47 C6 ADE A 9 38.804 43.417 25.350 1.00 0.00 SBOX C ATOM 48 N6 ADE A 9 38.562 42.685 26.397 1.00 0.00 SBOX N ATOM 49 H61 ADE A 9 38.230 41.742 26.253 1.00 0.00 SBOX ATOM 50 H62 ADE A 9 38.799 43.036 27.314 1.00 0.00 SBOX ATOM 51 N1 ADE A 9 38.545 42.778 24.175 1.00 0.00 SBOX N ATOM 52 C2 ADE A 9 38.855 43.393 23.052 1.00 0.00 SBOX C ATOM 53 H2 ADE A 9 38.820 42.892 22.095 1.00 0.00 SBOX ATOM 54 N3 ADE A 9 39.290 44.626 22.903 1.00 0.00 SBOX N ATOM 55 C4 ADE A 9 39.498 45.234 24.129 1.00 0.00 SBOX C ATOM 56 C3' ADE A 9 42.296 48.798 22.639 1.00 0.00 SBOX C ATOM 57 H3' ADE A 9 43.042 49.529 22.952 1.00 0.00 SBOX ATOM 58 C2' ADE A 9 41.084 48.674 23.618 1.00 0.00 SBOX C ATOM 59 H2'' ADE A 9 41.353 48.659 24.675 1.00 0.00 SBOX ATOM 60 O2' ADE A 9 39.967 49.609 23.420 1.00 0.00 SBOX O ATOM 61 H2' ADE A 9 40.013 49.966 22.529 1.00 0.00 SBOX ATOM 62 O3' ADE A 9 41.955 49.070 21.259 1.00 0.00 SBOX O ATOM 63 P ADE A 10 42.072 50.508 20.585 1.00 0.00 SBOX P ATOM 64 O1P ADE A 10 43.372 51.082 20.957 1.00 0.00 SBOX ATOM 65 O2P ADE A 10 41.672 50.285 19.236 1.00 0.00 SBOX ATOM 66 O5' ADE A 10 41.025 51.306 21.318 1.00 0.00 SBOX O ATOM 67 C5' ADE A 10 39.658 51.271 20.851 1.00 0.00 SBOX C ATOM 68 H5' ADE A 10 39.297 50.248 20.954 1.00 0.00 SBOX ATOM 69 H5'' ADE A 10 39.675 51.518 19.789 1.00 0.00 SBOX ATOM 70 C4' ADE A 10 38.723 52.181 21.598 1.00 0.00 SBOX C ATOM 71 H4' ADE A 10 37.739 51.906 21.219 1.00 0.00 SBOX ATOM 72 O4' ADE A 10 38.814 52.074 23.053 1.00 0.00 SBOX O ATOM 73 C1' ADE A 10 38.778 53.430 23.590 1.00 0.00 SBOX C ATOM 74 H1' ADE A 10 38.021 53.460 24.373 1.00 0.00 SBOX ATOM 75 N9 ADE A 10 40.070 53.790 24.117 1.00 0.00 SBOX N ATOM 76 C8 ADE A 10 41.208 52.994 24.183 1.00 0.00 SBOX C ATOM 77 H8 ADE A 10 41.246 52.029 23.700 1.00 0.00 SBOX ATOM 78 N7 ADE A 10 42.102 53.398 25.003 1.00 0.00 SBOX N ATOM 79 C5 ADE A 10 41.472 54.597 25.507 1.00 0.00 SBOX C ATOM 80 C6 ADE A 10 41.732 55.476 26.557 1.00 0.00 SBOX C ATOM 81 N6 ADE A 10 42.760 55.309 27.333 1.00 0.00 SBOX N ATOM 82 H61 ADE A 10 42.901 56.017 28.039 1.00 0.00 SBOX ATOM 83 H62 ADE A 10 43.381 54.559 27.067 1.00 0.00 SBOX ATOM 84 N1 ADE A 10 40.937 56.430 26.956 1.00 0.00 SBOX N ATOM 85 C2 ADE A 10 39.908 56.686 26.122 1.00 0.00 SBOX C ATOM 86 H2 ADE A 10 39.193 57.459 26.361 1.00 0.00 SBOX ATOM 87 N3 ADE A 10 39.450 55.896 25.160 1.00 0.00 SBOX N ATOM 88 C4 ADE A 10 40.290 54.804 24.972 1.00 0.00 SBOX C ATOM 89 C3' ADE A 10 38.885 53.660 21.238 1.00 0.00 SBOX C ATOM 90 H3' ADE A 10 39.939 53.899 21.100 1.00 0.00 SBOX ATOM 91 C2' ADE A 10 38.364 54.404 22.475 1.00 0.00 SBOX C ATOM 92 H2'' ADE A 10 38.811 55.397 22.509 1.00 0.00 SBOX ATOM 93 O2' ADE A 10 36.983 54.519 22.484 1.00 0.00 SBOX O ATOM 94 H2' ADE A 10 36.787 55.262 23.059 1.00 0.00 SBOX ATOM 95 O3' ADE A 10 38.131 54.081 20.098 1.00 0.00 SBOX O ATOM 96 P GUA A 11 38.580 55.260 19.078 1.00 0.00 SBOX P ATOM 97 O1P GUA A 11 39.831 54.714 18.515 1.00 0.00 SBOX ATOM 98 O2P GUA A 11 37.368 55.494 18.239 1.00 0.00 SBOX ATOM 99 O5' GUA A 11 38.913 56.469 20.086 1.00 0.00 SBOX O ATOM 100 C5' GUA A 11 37.827 57.265 20.774 1.00 0.00 SBOX C ATOM 101 H5' GUA A 11 37.275 56.602 21.440 1.00 0.00 SBOX ATOM 102 H5'' GUA A 11 37.047 57.667 20.128 1.00 0.00 SBOX ATOM 103 C4' GUA A 11 38.432 58.441 21.529 1.00 0.00 SBOX C ATOM 104 H4' GUA A 11 37.610 59.128 21.734 1.00 0.00 SBOX ATOM 105 O4' GUA A 11 39.121 58.082 22.707 1.00 0.00 SBOX O ATOM 106 C1' GUA A 11 40.238 58.813 22.806 1.00 0.00 SBOX C ATOM 107 H1' GUA A 11 40.290 59.343 23.757 1.00 0.00 SBOX ATOM 108 N9 GUA A 11 41.446 57.943 22.802 1.00 0.00 SBOX N ATOM 109 C8 GUA A 11 41.534 56.734 22.128 1.00 0.00 SBOX C ATOM 110 H8 GUA A 11 40.864 56.322 21.388 1.00 0.00 SBOX ATOM 111 N7 GUA A 11 42.591 56.045 22.411 1.00 0.00 SBOX N ATOM 112 C5 GUA A 11 43.225 56.785 23.458 1.00 0.00 SBOX C ATOM 113 C6 GUA A 11 44.404 56.523 24.224 1.00 0.00 SBOX C ATOM 114 O6 GUA A 11 45.242 55.598 24.108 1.00 0.00 SBOX O ATOM 115 N1 GUA A 11 44.785 57.486 25.112 1.00 0.00 SBOX N ATOM 116 H1 GUA A 11 45.659 57.463 25.617 1.00 0.00 SBOX ATOM 117 C2 GUA A 11 43.925 58.526 25.307 1.00 0.00 SBOX C ATOM 118 N2 GUA A 11 44.339 59.471 26.163 1.00 0.00 SBOX N ATOM 119 H21 GUA A 11 45.183 59.365 26.708 1.00 0.00 SBOX ATOM 120 H22 GUA A 11 43.952 60.403 26.150 1.00 0.00 SBOX ATOM 121 N3 GUA A 11 42.814 58.835 24.661 1.00 0.00 SBOX N ATOM 122 C4 GUA A 11 42.485 57.910 23.737 1.00 0.00 SBOX C ATOM 123 C3' GUA A 11 39.375 59.222 20.625 1.00 0.00 SBOX C ATOM 124 H3' GUA A 11 39.963 58.488 20.075 1.00 0.00 SBOX ATOM 125 C2' GUA A 11 40.314 59.875 21.648 1.00 0.00 SBOX C ATOM 126 H2'' GUA A 11 41.326 59.867 21.244 1.00 0.00 SBOX ATOM 127 O2' GUA A 11 39.859 61.179 22.105 1.00 0.00 SBOX O ATOM 128 H2' GUA A 11 40.279 61.434 22.930 1.00 0.00 SBOX ATOM 129 O3' GUA A 11 38.723 60.146 19.776 1.00 0.00 SBOX O ATOM 130 P ADE A 12 39.267 60.628 18.366 1.00 0.00 SBOX P ATOM 131 O1P ADE A 12 39.758 59.516 17.579 1.00 0.00 SBOX ATOM 132 O2P ADE A 12 38.104 61.312 17.806 1.00 0.00 SBOX ATOM 133 O5' ADE A 12 40.414 61.624 18.532 1.00 0.00 SBOX O ATOM 134 C5' ADE A 12 40.350 62.922 19.136 1.00 0.00 SBOX C ATOM 135 H5' ADE A 12 39.866 62.875 20.111 1.00 0.00 SBOX ATOM 136 H5'' ADE A 12 39.762 63.578 18.493 1.00 0.00 SBOX ATOM 137 C4' ADE A 12 41.659 63.526 19.530 1.00 0.00 SBOX C ATOM 138 H4' ADE A 12 41.509 64.592 19.699 1.00 0.00 SBOX ATOM 139 O4' ADE A 12 42.118 62.847 20.717 1.00 0.00 SBOX O ATOM 140 C1' ADE A 12 43.520 62.704 20.617 1.00 0.00 SBOX C ATOM 141 H1' ADE A 12 44.022 63.318 21.366 1.00 0.00 SBOX ATOM 142 N9 ADE A 12 43.961 61.299 20.635 1.00 0.00 SBOX N ATOM 143 C8 ADE A 12 43.773 60.281 19.712 1.00 0.00 SBOX C ATOM 144 H8 ADE A 12 42.995 60.180 18.971 1.00 0.00 SBOX ATOM 145 N7 ADE A 12 44.554 59.248 19.902 1.00 0.00 SBOX N ATOM 146 C5 ADE A 12 45.198 59.577 21.084 1.00 0.00 SBOX C ATOM 147 C6 ADE A 12 46.002 58.929 22.027 1.00 0.00 SBOX C ATOM 148 N6 ADE A 12 46.319 57.674 21.960 1.00 0.00 SBOX N ATOM 149 H61 ADE A 12 46.906 57.301 22.693 1.00 0.00 SBOX ATOM 150 H62 ADE A 12 46.235 57.227 21.059 1.00 0.00 SBOX ATOM 151 N1 ADE A 12 46.440 59.463 23.170 1.00 0.00 SBOX N ATOM 152 C2 ADE A 12 46.046 60.708 23.468 1.00 0.00 SBOX C ATOM 153 H2 ADE A 12 46.366 61.121 24.413 1.00 0.00 SBOX ATOM 154 N3 ADE A 12 45.371 61.478 22.626 1.00 0.00 SBOX N ATOM 155 C4 ADE A 12 44.950 60.851 21.457 1.00 0.00 SBOX C ATOM 156 C3' ADE A 12 42.664 63.336 18.469 1.00 0.00 SBOX C ATOM 157 H3' ADE A 12 42.697 62.316 18.087 1.00 0.00 SBOX ATOM 158 C2' ADE A 12 43.934 63.313 19.303 1.00 0.00 SBOX C ATOM 159 H2'' ADE A 12 44.699 62.756 18.761 1.00 0.00 SBOX ATOM 160 O2' ADE A 12 44.362 64.660 19.599 1.00 0.00 SBOX O ATOM 161 H2' ADE A 12 45.316 64.685 19.495 1.00 0.00 SBOX ATOM 162 O3' ADE A 12 42.760 64.464 17.561 1.00 0.00 SBOX O ATOM 163 P GUA A 13 41.845 64.496 16.188 1.00 0.00 SBOX P ATOM 164 O1P GUA A 13 42.298 63.320 15.419 1.00 0.00 SBOX ATOM 165 O2P GUA A 13 40.412 64.631 16.455 1.00 0.00 SBOX ATOM 166 O5' GUA A 13 42.388 65.843 15.444 1.00 0.00 SBOX O ATOM 167 C5' GUA A 13 43.277 65.832 14.388 1.00 0.00 SBOX C ATOM 168 H5' GUA A 13 42.831 65.371 13.507 1.00 0.00 SBOX ATOM 169 H5'' GUA A 13 44.087 65.122 14.555 1.00 0.00 SBOX ATOM 170 C4' GUA A 13 43.777 67.224 14.021 1.00 0.00 SBOX C ATOM 171 H4' GUA A 13 42.914 67.871 13.862 1.00 0.00 SBOX ATOM 172 O4' GUA A 13 44.638 67.792 14.986 1.00 0.00 SBOX O ATOM 173 C1' GUA A 13 45.553 68.701 14.390 1.00 0.00 SBOX C ATOM 174 H1' GUA A 13 45.376 69.755 14.601 1.00 0.00 SBOX ATOM 175 N9 GUA A 13 46.858 68.392 14.983 1.00 0.00 SBOX N ATOM 176 C8 GUA A 13 47.431 67.169 15.215 1.00 0.00 SBOX C ATOM 177 H8 GUA A 13 47.102 66.202 14.863 1.00 0.00 SBOX ATOM 178 N7 GUA A 13 48.399 67.229 16.066 1.00 0.00 SBOX N ATOM 179 C5 GUA A 13 48.561 68.600 16.355 1.00 0.00 SBOX C ATOM 180 C6 GUA A 13 49.581 69.233 17.165 1.00 0.00 SBOX C ATOM 181 O6 GUA A 13 50.478 68.859 17.889 1.00 0.00 SBOX O ATOM 182 N1 GUA A 13 49.376 70.633 17.115 1.00 0.00 SBOX N ATOM 183 H1 GUA A 13 50.019 71.131 17.713 1.00 0.00 SBOX ATOM 184 C2 GUA A 13 48.416 71.227 16.459 1.00 0.00 SBOX C ATOM 185 N2 GUA A 13 48.367 72.510 16.562 1.00 0.00 SBOX N ATOM 186 H21 GUA A 13 49.023 72.863 17.244 1.00 0.00 SBOX ATOM 187 H22 GUA A 13 47.499 72.885 16.206 1.00 0.00 SBOX ATOM 188 N3 GUA A 13 47.470 70.599 15.720 1.00 0.00 SBOX N ATOM 189 C4 GUA A 13 47.571 69.284 15.732 1.00 0.00 SBOX C ATOM 190 C3' GUA A 13 44.683 67.235 12.741 1.00 0.00 SBOX C ATOM 191 H3' GUA A 13 45.284 66.326 12.786 1.00 0.00 SBOX ATOM 192 C2' GUA A 13 45.534 68.519 12.851 1.00 0.00 SBOX C ATOM 193 H2'' GUA A 13 46.547 68.415 12.461 1.00 0.00 SBOX ATOM 194 O2' GUA A 13 44.919 69.651 12.369 1.00 0.00 SBOX O ATOM 195 H2' GUA A 13 45.218 69.754 11.463 1.00 0.00 SBOX ATOM 196 O3' GUA A 13 43.934 67.179 11.531 1.00 0.00 SBOX O ATOM 197 P ADE A 14 43.808 65.906 10.614 1.00 0.00 SBOX P ATOM 198 O1P ADE A 14 44.879 64.893 10.829 1.00 0.00 SBOX ATOM 199 O2P ADE A 14 42.381 65.466 10.556 1.00 0.00 SBOX ATOM 200 O5' ADE A 14 44.144 66.645 9.225 1.00 0.00 SBOX O ATOM 201 C5' ADE A 14 45.496 66.917 8.799 1.00 0.00 SBOX C ATOM 202 H5' ADE A 14 45.934 65.950 8.555 1.00 0.00 SBOX ATOM 203 H5'' ADE A 14 45.991 67.471 9.597 1.00 0.00 SBOX ATOM 204 C4' ADE A 14 45.663 67.912 7.613 1.00 0.00 SBOX C ATOM 205 H4' ADE A 14 46.605 68.431 7.789 1.00 0.00 SBOX ATOM 206 O4' ADE A 14 45.600 67.351 6.334 1.00 0.00 SBOX O ATOM 207 C1' ADE A 14 44.484 67.874 5.647 1.00 0.00 SBOX C ATOM 208 H1' ADE A 14 44.864 68.090 4.648 1.00 0.00 SBOX ATOM 209 N9 ADE A 14 43.417 66.826 5.455 1.00 0.00 SBOX N ATOM 210 C8 ADE A 14 43.440 65.604 5.951 1.00 0.00 SBOX C ATOM 211 H8 ADE A 14 44.329 65.156 6.369 1.00 0.00 SBOX ATOM 212 N7 ADE A 14 42.330 64.900 5.748 1.00 0.00 SBOX N ATOM 213 C5 ADE A 14 41.510 65.788 5.001 1.00 0.00 SBOX C ATOM 214 C6 ADE A 14 40.159 65.842 4.452 1.00 0.00 SBOX C ATOM 215 N6 ADE A 14 39.250 64.957 4.531 1.00 0.00 SBOX N ATOM 216 H61 ADE A 14 38.317 65.249 4.274 1.00 0.00 SBOX ATOM 217 H62 ADE A 14 39.396 64.146 5.114 1.00 0.00 SBOX ATOM 218 N1 ADE A 14 39.667 66.864 3.819 1.00 0.00 SBOX N ATOM 219 C2 ADE A 14 40.498 67.903 3.708 1.00 0.00 SBOX C ATOM 220 H2 ADE A 14 40.019 68.826 3.416 1.00 0.00 SBOX ATOM 221 N3 ADE A 14 41.666 68.106 4.270 1.00 0.00 SBOX N ATOM 222 C4 ADE A 14 42.135 67.025 4.933 1.00 0.00 SBOX C ATOM 223 C3' ADE A 14 44.723 69.138 7.675 1.00 0.00 SBOX C ATOM 224 H3' ADE A 14 43.921 68.929 8.383 1.00 0.00 SBOX ATOM 225 C2' ADE A 14 44.163 69.294 6.251 1.00 0.00 SBOX C ATOM 226 H2'' ADE A 14 43.073 69.327 6.273 1.00 0.00 SBOX ATOM 227 O2' ADE A 14 44.669 70.314 5.419 1.00 0.00 SBOX O ATOM 228 H2' ADE A 14 44.961 71.065 5.940 1.00 0.00 SBOX ATOM 229 O3' ADE A 14 45.411 70.343 7.986 1.00 0.00 SBOX O ATOM 230 P GUA A 15 45.672 70.730 9.475 1.00 0.00 SBOX P ATOM 231 O1P GUA A 15 44.391 70.796 10.057 1.00 0.00 SBOX ATOM 232 O2P GUA A 15 46.728 69.761 9.972 1.00 0.00 SBOX ATOM 233 O5' GUA A 15 46.201 72.210 9.243 1.00 0.00 SBOX O ATOM 234 C5' GUA A 15 47.516 72.600 9.226 1.00 0.00 SBOX C ATOM 235 H5' GUA A 15 47.642 73.079 8.256 1.00 0.00 SBOX ATOM 236 H5'' GUA A 15 48.222 71.773 9.305 1.00 0.00 SBOX ATOM 237 C4' GUA A 15 47.766 73.656 10.329 1.00 0.00 SBOX C ATOM 238 H4' GUA A 15 47.046 74.463 10.195 1.00 0.00 SBOX ATOM 239 O4' GUA A 15 47.599 73.115 11.657 1.00 0.00 SBOX O ATOM 240 C1' GUA A 15 48.547 73.789 12.482 1.00 0.00 SBOX C ATOM 241 H1' GUA A 15 47.979 74.298 13.261 1.00 0.00 SBOX ATOM 242 N9 GUA A 15 49.502 72.761 13.071 1.00 0.00 SBOX N ATOM 243 C8 GUA A 15 49.405 71.478 12.892 1.00 0.00 SBOX C ATOM 244 H8 GUA A 15 48.632 71.202 12.189 1.00 0.00 SBOX ATOM 245 N7 GUA A 15 50.308 70.809 13.588 1.00 0.00 SBOX N ATOM 246 C5 GUA A 15 50.918 71.777 14.388 1.00 0.00 SBOX C ATOM 247 C6 GUA A 15 52.067 71.748 15.253 1.00 0.00 SBOX C ATOM 248 O6 GUA A 15 52.806 70.835 15.620 1.00 0.00 SBOX O ATOM 249 N1 GUA A 15 52.406 72.917 15.800 1.00 0.00 SBOX N ATOM 250 H1 GUA A 15 53.237 72.896 16.373 1.00 0.00 SBOX ATOM 251 C2 GUA A 15 51.865 74.115 15.435 1.00 0.00 SBOX C ATOM 252 N2 GUA A 15 52.527 75.124 15.898 1.00 0.00 SBOX N ATOM 253 H21 GUA A 15 53.259 74.838 16.532 1.00 0.00 SBOX ATOM 254 H22 GUA A 15 52.345 76.057 15.558 1.00 0.00 SBOX ATOM 255 N3 GUA A 15 50.887 74.193 14.575 1.00 0.00 SBOX N ATOM 256 C4 GUA A 15 50.445 72.979 14.076 1.00 0.00 SBOX C ATOM 257 C3' GUA A 15 49.217 74.209 10.210 1.00 0.00 SBOX C ATOM 258 H3' GUA A 15 49.829 73.315 10.094 1.00 0.00 SBOX ATOM 259 C2' GUA A 15 49.348 74.860 11.624 1.00 0.00 SBOX C ATOM 260 H2'' GUA A 15 50.355 75.007 12.012 1.00 0.00 SBOX ATOM 261 O2' GUA A 15 48.609 76.039 11.713 1.00 0.00 SBOX O ATOM 262 H2' GUA A 15 48.941 76.533 12.467 1.00 0.00 SBOX ATOM 263 O3' GUA A 15 49.295 75.171 9.121 1.00 0.00 SBOX O ATOM 264 P GUA A 16 50.673 75.547 8.400 1.00 0.00 SBOX P ATOM 265 O1P GUA A 16 51.558 74.331 8.373 1.00 0.00 SBOX ATOM 266 O2P GUA A 16 50.256 76.249 7.162 1.00 0.00 SBOX ATOM 267 O5' GUA A 16 51.432 76.552 9.369 1.00 0.00 SBOX O ATOM 268 C5' GUA A 16 52.816 76.925 9.304 1.00 0.00 SBOX C ATOM 269 H5' GUA A 16 52.936 77.606 8.461 1.00 0.00 SBOX ATOM 270 H5'' GUA A 16 53.449 76.059 9.108 1.00 0.00 SBOX ATOM 271 C4' GUA A 16 53.328 77.632 10.584 1.00 0.00 SBOX C ATOM 272 H4' GUA A 16 53.199 78.706 10.455 1.00 0.00 SBOX ATOM 273 O4' GUA A 16 52.665 77.231 11.776 1.00 0.00 SBOX O ATOM 274 C1' GUA A 16 53.739 76.768 12.702 1.00 0.00 SBOX C ATOM 275 H1' GUA A 16 53.517 77.221 13.668 1.00 0.00 SBOX ATOM 276 N9 GUA A 16 53.995 75.320 12.731 1.00 0.00 SBOX N ATOM 277 C8 GUA A 16 53.520 74.384 11.812 1.00 0.00 SBOX C ATOM 278 H8 GUA A 16 52.792 74.552 11.031 1.00 0.00 SBOX ATOM 279 N7 GUA A 16 53.922 73.130 11.988 1.00 0.00 SBOX N ATOM 280 C5 GUA A 16 54.727 73.265 13.156 1.00 0.00 SBOX C ATOM 281 C6 GUA A 16 55.462 72.328 14.031 1.00 0.00 SBOX C ATOM 282 O6 GUA A 16 55.437 71.083 14.025 1.00 0.00 SBOX O ATOM 283 N1 GUA A 16 56.242 72.921 14.983 1.00 0.00 SBOX N ATOM 284 H1 GUA A 16 56.894 72.353 15.504 1.00 0.00 SBOX ATOM 285 C2 GUA A 16 56.243 74.240 15.231 1.00 0.00 SBOX C ATOM 286 N2 GUA A 16 57.167 74.711 16.001 1.00 0.00 SBOX N ATOM 287 H21 GUA A 16 57.938 74.087 16.193 1.00 0.00 SBOX ATOM 288 H22 GUA A 16 57.125 75.673 16.306 1.00 0.00 SBOX ATOM 289 N3 GUA A 16 55.550 75.187 14.603 1.00 0.00 SBOX N ATOM 290 C4 GUA A 16 54.822 74.613 13.576 1.00 0.00 SBOX C ATOM 291 C3' GUA A 16 54.842 77.360 10.660 1.00 0.00 SBOX C ATOM 292 H3' GUA A 16 55.091 76.347 10.344 1.00 0.00 SBOX ATOM 293 C2' GUA A 16 55.076 77.371 12.169 1.00 0.00 SBOX C ATOM 294 H2'' GUA A 16 55.876 76.753 12.577 1.00 0.00 SBOX ATOM 295 O2' GUA A 16 55.088 78.644 12.711 1.00 0.00 SBOX O ATOM 296 H2' GUA A 16 55.771 78.533 13.376 1.00 0.00 SBOX ATOM 297 O3' GUA A 16 55.600 78.332 9.990 1.00 0.00 SBOX O ATOM 298 P URA A 17 56.817 77.935 8.999 1.00 0.00 SBOX P ATOM 299 O1P URA A 17 56.479 76.777 8.198 1.00 0.00 SBOX ATOM 300 O2P URA A 17 57.285 79.125 8.265 1.00 0.00 SBOX ATOM 301 O5' URA A 17 57.998 77.524 10.017 1.00 0.00 SBOX O ATOM 302 C5' URA A 17 58.795 78.427 10.758 1.00 0.00 SBOX C ATOM 303 H5' URA A 17 58.194 79.101 11.369 1.00 0.00 SBOX ATOM 304 H5'' URA A 17 59.395 79.103 10.149 1.00 0.00 SBOX ATOM 305 C4' URA A 17 59.658 77.644 11.700 1.00 0.00 SBOX C ATOM 306 H4' URA A 17 60.219 78.440 12.189 1.00 0.00 SBOX ATOM 307 O4' URA A 17 58.931 76.999 12.652 1.00 0.00 SBOX O ATOM 308 C1' URA A 17 59.514 75.718 13.043 1.00 0.00 SBOX C ATOM 309 H1' URA A 17 59.657 75.689 14.123 1.00 0.00 SBOX ATOM 310 N1 URA A 17 58.781 74.515 12.575 1.00 0.00 SBOX N ATOM 311 C6 URA A 17 57.833 74.556 11.568 1.00 0.00 SBOX C ATOM 312 H6 URA A 17 57.532 75.488 11.113 1.00 0.00 SBOX ATOM 313 C5 URA A 17 57.347 73.390 11.118 1.00 0.00 SBOX C ATOM 314 H5 URA A 17 56.685 73.258 10.275 1.00 0.00 SBOX ATOM 315 C4 URA A 17 57.812 72.124 11.607 1.00 0.00 SBOX C ATOM 316 O4 URA A 17 57.343 71.022 11.306 1.00 0.00 SBOX O ATOM 317 N3 URA A 17 58.885 72.104 12.525 1.00 0.00 SBOX N ATOM 318 H3 URA A 17 59.210 71.298 13.039 1.00 0.00 SBOX ATOM 319 C2 URA A 17 59.387 73.298 12.988 1.00 0.00 SBOX C ATOM 320 O2 URA A 17 60.346 73.122 13.773 1.00 0.00 SBOX O ATOM 321 C3' URA A 17 60.625 76.686 11.096 1.00 0.00 SBOX C ATOM 322 H3' URA A 17 60.105 76.252 10.242 1.00 0.00 SBOX ATOM 323 C2' URA A 17 60.861 75.799 12.274 1.00 0.00 SBOX C ATOM 324 H2'' URA A 17 61.108 74.818 11.868 1.00 0.00 SBOX ATOM 325 O2' URA A 17 61.851 76.000 13.380 1.00 0.00 SBOX O ATOM 326 H2' URA A 17 62.033 75.095 13.643 1.00 0.00 SBOX ATOM 327 O3' URA A 17 61.796 77.393 10.525 1.00 0.00 SBOX O ATOM 328 P GUA A 18 62.752 76.747 9.350 1.00 0.00 SBOX P ATOM 329 O1P GUA A 18 61.997 76.740 8.095 1.00 0.00 SBOX ATOM 330 O2P GUA A 18 63.985 77.537 9.298 1.00 0.00 SBOX ATOM 331 O5' GUA A 18 63.161 75.207 9.662 1.00 0.00 SBOX O ATOM 332 C5' GUA A 18 63.944 74.841 10.783 1.00 0.00 SBOX C ATOM 333 H5' GUA A 18 63.634 75.437 11.642 1.00 0.00 SBOX ATOM 334 H5'' GUA A 18 64.965 75.059 10.469 1.00 0.00 SBOX ATOM 335 C4' GUA A 18 63.880 73.344 10.948 1.00 0.00 SBOX C ATOM 336 H4' GUA A 18 64.595 73.149 11.747 1.00 0.00 SBOX ATOM 337 O4' GUA A 18 62.547 72.893 11.308 1.00 0.00 SBOX O ATOM 338 C1' GUA A 18 62.308 71.503 10.879 1.00 0.00 SBOX C ATOM 339 H1' GUA A 18 62.091 70.828 11.707 1.00 0.00 SBOX ATOM 340 N9 GUA A 18 61.111 71.580 9.935 1.00 0.00 SBOX N ATOM 341 C8 GUA A 18 60.780 72.613 9.207 1.00 0.00 SBOX C ATOM 342 H8 GUA A 18 61.207 73.599 9.315 1.00 0.00 SBOX ATOM 343 N7 GUA A 18 59.729 72.345 8.483 1.00 0.00 SBOX N ATOM 344 C5 GUA A 18 59.347 71.020 8.836 1.00 0.00 SBOX C ATOM 345 C6 GUA A 18 58.299 70.081 8.395 1.00 0.00 SBOX C ATOM 346 O6 GUA A 18 57.310 70.305 7.682 1.00 0.00 SBOX O ATOM 347 N1 GUA A 18 58.377 68.827 8.857 1.00 0.00 SBOX N ATOM 348 H1 GUA A 18 57.641 68.164 8.658 1.00 0.00 SBOX ATOM 349 C2 GUA A 18 59.288 68.488 9.796 1.00 0.00 SBOX C ATOM 350 N2 GUA A 18 59.080 67.269 10.129 1.00 0.00 SBOX N ATOM 351 H21 GUA A 18 58.327 66.723 9.736 1.00 0.00 SBOX ATOM 352 H22 GUA A 18 59.723 66.837 10.777 1.00 0.00 SBOX ATOM 353 N3 GUA A 18 60.275 69.282 10.254 1.00 0.00 SBOX N ATOM 354 C4 GUA A 18 60.290 70.545 9.649 1.00 0.00 SBOX C ATOM 355 C3' GUA A 18 64.230 72.428 9.758 1.00 0.00 SBOX C ATOM 356 H3' GUA A 18 63.802 72.739 8.805 1.00 0.00 SBOX ATOM 357 C2' GUA A 18 63.576 71.120 10.198 1.00 0.00 SBOX C ATOM 358 H2'' GUA A 18 63.396 70.414 9.387 1.00 0.00 SBOX ATOM 359 O2' GUA A 18 64.429 70.511 11.173 1.00 0.00 SBOX O ATOM 360 H2' GUA A 18 65.319 70.447 10.819 1.00 0.00 SBOX ATOM 361 O3' GUA A 18 65.607 72.087 9.569 1.00 0.00 SBOX O ATOM 362 P GUA A 19 66.529 72.770 8.519 1.00 0.00 SBOX P ATOM 363 O1P GUA A 19 65.716 73.039 7.304 1.00 0.00 SBOX ATOM 364 O2P GUA A 19 67.212 73.857 9.243 1.00 0.00 SBOX ATOM 365 O5' GUA A 19 67.551 71.552 8.220 1.00 0.00 SBOX O ATOM 366 C5' GUA A 19 67.469 70.637 7.039 1.00 0.00 SBOX C ATOM 367 H5' GUA A 19 68.514 70.510 6.758 1.00 0.00 SBOX ATOM 368 H5'' GUA A 19 66.998 70.984 6.119 1.00 0.00 SBOX ATOM 369 C4' GUA A 19 66.987 69.248 7.346 1.00 0.00 SBOX C ATOM 370 H4' GUA A 19 67.676 68.749 8.028 1.00 0.00 SBOX ATOM 371 O4' GUA A 19 65.707 69.475 7.983 1.00 0.00 SBOX O ATOM 372 C1' GUA A 19 64.663 68.628 7.618 1.00 0.00 SBOX C ATOM 373 H1' GUA A 19 64.185 68.289 8.537 1.00 0.00 SBOX ATOM 374 N9 GUA A 19 63.751 69.438 6.926 1.00 0.00 SBOX N ATOM 375 C8 GUA A 19 63.986 70.653 6.208 1.00 0.00 SBOX C ATOM 376 H8 GUA A 19 64.924 71.188 6.223 1.00 0.00 SBOX ATOM 377 N7 GUA A 19 62.903 71.103 5.679 1.00 0.00 SBOX N ATOM 378 C5 GUA A 19 61.872 70.145 6.017 1.00 0.00 SBOX C ATOM 379 C6 GUA A 19 60.446 70.122 5.780 1.00 0.00 SBOX C ATOM 380 O6 GUA A 19 59.686 70.933 5.244 1.00 0.00 SBOX O ATOM 381 N1 GUA A 19 59.876 68.891 6.132 1.00 0.00 SBOX N ATOM 382 H1 GUA A 19 58.869 68.806 6.108 1.00 0.00 SBOX ATOM 383 C2 GUA A 19 60.529 67.933 6.787 1.00 0.00 SBOX C ATOM 384 N2 GUA A 19 59.815 66.895 7.010 1.00 0.00 SBOX N ATOM 385 H21 GUA A 19 58.808 66.918 6.927 1.00 0.00 SBOX ATOM 386 H22 GUA A 19 60.255 66.142 7.519 1.00 0.00 SBOX ATOM 387 N3 GUA A 19 61.790 67.994 7.254 1.00 0.00 SBOX N ATOM 388 C4 GUA A 19 62.440 69.131 6.774 1.00 0.00 SBOX C ATOM 389 C3' GUA A 19 66.654 68.180 6.222 1.00 0.00 SBOX C ATOM 390 H3' GUA A 19 66.342 68.665 5.297 1.00 0.00 SBOX ATOM 391 C2' GUA A 19 65.404 67.475 6.872 1.00 0.00 SBOX C ATOM 392 H2'' GUA A 19 64.805 67.017 6.085 1.00 0.00 SBOX ATOM 393 O2' GUA A 19 65.742 66.427 7.759 1.00 0.00 SBOX O ATOM 394 H2' GUA A 19 66.125 65.700 7.263 1.00 0.00 SBOX ATOM 395 O3' GUA A 19 67.736 67.291 6.009 1.00 0.00 SBOX O ATOM 396 P ADE A 20 67.655 66.064 4.941 1.00 0.00 SBOX P ATOM 397 O1P ADE A 20 66.636 66.366 3.925 1.00 0.00 SBOX ATOM 398 O2P ADE A 20 68.985 65.621 4.510 1.00 0.00 SBOX ATOM 399 O5' ADE A 20 67.091 64.831 5.865 1.00 0.00 SBOX O ATOM 400 C5' ADE A 20 67.884 64.065 6.767 1.00 0.00 SBOX C ATOM 401 H5' ADE A 20 67.738 64.594 7.709 1.00 0.00 SBOX ATOM 402 H5'' ADE A 20 68.958 64.052 6.584 1.00 0.00 SBOX ATOM 403 C4' ADE A 20 67.335 62.711 7.075 1.00 0.00 SBOX C ATOM 404 H4' ADE A 20 67.924 62.318 7.904 1.00 0.00 SBOX ATOM 405 O4' ADE A 20 66.014 62.661 7.445 1.00 0.00 SBOX O ATOM 406 C1' ADE A 20 65.287 61.797 6.588 1.00 0.00 SBOX C ATOM 407 H1' ADE A 20 64.890 61.031 7.254 1.00 0.00 SBOX ATOM 408 N9 ADE A 20 64.173 62.452 5.852 1.00 0.00 SBOX N ATOM 409 C8 ADE A 20 64.241 63.562 5.032 1.00 0.00 SBOX C ATOM 410 H8 ADE A 20 65.134 64.133 4.826 1.00 0.00 SBOX ATOM 411 N7 ADE A 20 63.080 63.886 4.560 1.00 0.00 SBOX N ATOM 412 C5 ADE A 20 62.237 62.813 4.963 1.00 0.00 SBOX C ATOM 413 C6 ADE A 20 60.887 62.427 4.775 1.00 0.00 SBOX C ATOM 414 N6 ADE A 20 60.000 63.151 4.188 1.00 0.00 SBOX N ATOM 415 H61 ADE A 20 59.033 62.862 4.217 1.00 0.00 SBOX ATOM 416 H62 ADE A 20 60.334 64.034 3.828 1.00 0.00 SBOX ATOM 417 N1 ADE A 20 60.319 61.339 5.258 1.00 0.00 SBOX N ATOM 418 C2 ADE A 20 61.181 60.505 5.856 1.00 0.00 SBOX C ATOM 419 H2 ADE A 20 60.874 59.506 6.129 1.00 0.00 SBOX ATOM 420 N3 ADE A 20 62.517 60.654 6.145 1.00 0.00 SBOX N ATOM 421 C4 ADE A 20 62.919 61.899 5.639 1.00 0.00 SBOX C ATOM 422 C3' ADE A 20 67.686 61.770 5.904 1.00 0.00 SBOX C ATOM 423 H3' ADE A 20 67.938 62.375 5.033 1.00 0.00 SBOX ATOM 424 C2' ADE A 20 66.317 61.161 5.548 1.00 0.00 SBOX C ATOM 425 H2'' ADE A 20 65.968 61.364 4.535 1.00 0.00 SBOX ATOM 426 O2' ADE A 20 66.120 59.761 5.661 1.00 0.00 SBOX O ATOM 427 H2' ADE A 20 66.298 59.403 6.533 1.00 0.00 SBOX ATOM 428 O3' ADE A 20 68.815 60.861 5.984 1.00 0.00 SBOX O ATOM 429 P GUA A 21 69.024 59.887 7.187 1.00 0.00 SBOX P ATOM 430 O1P GUA A 21 69.631 58.591 6.772 1.00 0.00 SBOX ATOM 431 O2P GUA A 21 69.762 60.756 8.149 1.00 0.00 SBOX ATOM 432 O5' GUA A 21 67.587 59.574 7.792 1.00 0.00 SBOX O ATOM 433 C5' GUA A 21 67.492 58.803 9.053 1.00 0.00 SBOX C ATOM 434 H5' GUA A 21 68.321 59.020 9.726 1.00 0.00 SBOX ATOM 435 H5'' GUA A 21 67.600 57.727 8.913 1.00 0.00 SBOX ATOM 436 C4' GUA A 21 66.129 59.084 9.717 1.00 0.00 SBOX C ATOM 437 H4' GUA A 21 66.189 60.009 10.290 1.00 0.00 SBOX ATOM 438 O4' GUA A 21 65.233 59.295 8.637 1.00 0.00 SBOX O ATOM 439 C1' GUA A 21 63.918 58.867 8.986 1.00 0.00 SBOX C ATOM 440 H1' GUA A 21 63.192 59.665 8.830 1.00 0.00 SBOX ATOM 441 N9 GUA A 21 63.578 57.746 8.014 1.00 0.00 SBOX N ATOM 442 C8 GUA A 21 64.446 56.918 7.322 1.00 0.00 SBOX C ATOM 443 H8 GUA A 21 65.515 56.882 7.471 1.00 0.00 SBOX ATOM 444 N7 GUA A 21 63.887 55.949 6.697 1.00 0.00 SBOX N ATOM 445 C5 GUA A 21 62.527 56.177 6.953 1.00 0.00 SBOX C ATOM 446 C6 GUA A 21 61.362 55.400 6.592 1.00 0.00 SBOX C ATOM 447 O6 GUA A 21 61.268 54.386 5.903 1.00 0.00 SBOX O ATOM 448 N1 GUA A 21 60.213 55.769 7.177 1.00 0.00 SBOX N ATOM 449 H1 GUA A 21 59.413 55.167 7.044 1.00 0.00 SBOX ATOM 450 C2 GUA A 21 60.119 56.892 7.934 1.00 0.00 SBOX C ATOM 451 N2 GUA A 21 58.996 57.127 8.544 1.00 0.00 SBOX N ATOM 452 H21 GUA A 21 58.191 56.553 8.337 1.00 0.00 SBOX ATOM 453 H22 GUA A 21 58.967 57.916 9.174 1.00 0.00 SBOX ATOM 454 N3 GUA A 21 61.138 57.748 8.214 1.00 0.00 SBOX N ATOM 455 C4 GUA A 21 62.335 57.308 7.725 1.00 0.00 SBOX C ATOM 456 C3' GUA A 21 65.369 58.129 10.538 1.00 0.00 SBOX C ATOM 457 H3' GUA A 21 65.464 57.147 10.073 1.00 0.00 SBOX ATOM 458 C2' GUA A 21 63.911 58.541 10.488 1.00 0.00 SBOX C ATOM 459 H2'' GUA A 21 63.337 57.686 10.846 1.00 0.00 SBOX ATOM 460 O2' GUA A 21 63.624 59.681 11.344 1.00 0.00 SBOX O ATOM 461 H2' GUA A 21 62.693 59.675 11.579 1.00 0.00 SBOX ATOM 462 O3' GUA A 21 65.937 57.977 11.839 1.00 0.00 SBOX O ATOM 463 P GUA A 22 65.621 56.613 12.666 1.00 0.00 SBOX P ATOM 464 O1P GUA A 22 66.127 55.488 11.860 1.00 0.00 SBOX ATOM 465 O2P GUA A 22 66.188 56.790 14.035 1.00 0.00 SBOX ATOM 466 O5' GUA A 22 64.045 56.431 12.783 1.00 0.00 SBOX O ATOM 467 C5' GUA A 22 63.267 57.295 13.577 1.00 0.00 SBOX C ATOM 468 H5' GUA A 22 63.409 58.361 13.400 1.00 0.00 SBOX ATOM 469 H5'' GUA A 22 63.592 57.049 14.588 1.00 0.00 SBOX ATOM 470 C4' GUA A 22 61.725 57.132 13.601 1.00 0.00 SBOX C ATOM 471 H4' GUA A 22 61.236 57.815 14.297 1.00 0.00 SBOX ATOM 472 O4' GUA A 22 61.224 57.262 12.263 1.00 0.00 SBOX O ATOM 473 C1' GUA A 22 60.193 56.303 12.073 1.00 0.00 SBOX C ATOM 474 H1' GUA A 22 59.205 56.645 11.764 1.00 0.00 SBOX ATOM 475 N9 GUA A 22 60.653 55.221 11.148 1.00 0.00 SBOX N ATOM 476 C8 GUA A 22 61.891 55.007 10.622 1.00 0.00 SBOX C ATOM 477 H8 GUA A 22 62.629 55.754 10.872 1.00 0.00 SBOX ATOM 478 N7 GUA A 22 61.977 53.987 9.739 1.00 0.00 SBOX N ATOM 479 C5 GUA A 22 60.620 53.509 9.724 1.00 0.00 SBOX C ATOM 480 C6 GUA A 22 60.041 52.343 9.059 1.00 0.00 SBOX C ATOM 481 O6 GUA A 22 60.546 51.595 8.229 1.00 0.00 SBOX O ATOM 482 N1 GUA A 22 58.760 52.142 9.304 1.00 0.00 SBOX N ATOM 483 H1 GUA A 22 58.326 51.330 8.889 1.00 0.00 SBOX ATOM 484 C2 GUA A 22 58.018 52.976 10.072 1.00 0.00 SBOX C ATOM 485 N2 GUA A 22 56.814 52.688 10.198 1.00 0.00 SBOX N ATOM 486 H21 GUA A 22 56.372 51.851 9.846 1.00 0.00 SBOX ATOM 487 H22 GUA A 22 56.307 53.253 10.864 1.00 0.00 SBOX ATOM 488 N3 GUA A 22 58.531 54.028 10.764 1.00 0.00 SBOX N ATOM 489 C4 GUA A 22 59.850 54.228 10.581 1.00 0.00 SBOX C ATOM 490 C3' GUA A 22 61.368 55.690 14.012 1.00 0.00 SBOX C ATOM 491 H3' GUA A 22 62.115 55.035 13.564 1.00 0.00 SBOX ATOM 492 C2' GUA A 22 59.932 55.626 13.443 1.00 0.00 SBOX C ATOM 493 H2'' GUA A 22 59.789 54.565 13.235 1.00 0.00 SBOX ATOM 494 O2' GUA A 22 58.813 56.256 14.209 1.00 0.00 SBOX O ATOM 495 H2' GUA A 22 58.375 55.567 14.714 1.00 0.00 SBOX ATOM 496 O3' GUA A 22 61.504 55.533 15.460 1.00 0.00 SBOX O ATOM 497 P GUA A 23 61.589 54.051 16.140 1.00 0.00 SBOX P ATOM 498 O1P GUA A 23 62.601 53.238 15.419 1.00 0.00 SBOX ATOM 499 O2P GUA A 23 61.716 54.131 17.589 1.00 0.00 SBOX ATOM 500 O5' GUA A 23 60.197 53.391 15.820 1.00 0.00 SBOX O ATOM 501 C5' GUA A 23 59.066 53.738 16.648 1.00 0.00 SBOX C ATOM 502 H5' GUA A 23 58.995 54.825 16.681 1.00 0.00 SBOX ATOM 503 H5'' GUA A 23 59.248 53.311 17.634 1.00 0.00 SBOX ATOM 504 C4' GUA A 23 57.748 53.062 16.144 1.00 0.00 SBOX C ATOM 505 H4' GUA A 23 56.849 53.394 16.663 1.00 0.00 SBOX ATOM 506 O4' GUA A 23 57.662 53.200 14.724 1.00 0.00 SBOX O ATOM 507 C1' GUA A 23 56.981 52.084 14.052 1.00 0.00 SBOX C ATOM 508 H1' GUA A 23 56.128 52.322 13.416 1.00 0.00 SBOX ATOM 509 N9 GUA A 23 57.953 51.379 13.232 1.00 0.00 SBOX N ATOM 510 C8 GUA A 23 59.341 51.576 13.164 1.00 0.00 SBOX C ATOM 511 H8 GUA A 23 59.854 52.347 13.720 1.00 0.00 SBOX ATOM 512 N7 GUA A 23 59.922 50.899 12.269 1.00 0.00 SBOX N ATOM 513 C5 GUA A 23 58.910 50.028 11.796 1.00 0.00 SBOX C ATOM 514 C6 GUA A 23 58.835 49.033 10.783 1.00 0.00 SBOX C ATOM 515 O6 GUA A 23 59.647 48.650 9.979 1.00 0.00 SBOX O ATOM 516 N1 GUA A 23 57.650 48.435 10.569 1.00 0.00 SBOX N ATOM 517 H1 GUA A 23 57.577 47.707 9.873 1.00 0.00 SBOX ATOM 518 C2 GUA A 23 56.563 48.749 11.196 1.00 0.00 SBOX C ATOM 519 N2 GUA A 23 55.520 48.033 10.967 1.00 0.00 SBOX N ATOM 520 H21 GUA A 23 55.647 47.221 10.379 1.00 0.00 SBOX ATOM 521 H22 GUA A 23 54.655 48.198 11.461 1.00 0.00 SBOX ATOM 522 N3 GUA A 23 56.492 49.643 12.192 1.00 0.00 SBOX N ATOM 523 C4 GUA A 23 57.710 50.283 12.446 1.00 0.00 SBOX C ATOM 524 C3' GUA A 23 57.649 51.556 16.213 1.00 0.00 SBOX C ATOM 525 H3' GUA A 23 58.606 51.222 15.812 1.00 0.00 SBOX ATOM 526 C2' GUA A 23 56.622 51.122 15.123 1.00 0.00 SBOX C ATOM 527 H2'' GUA A 23 56.692 50.096 14.762 1.00 0.00 SBOX ATOM 528 O2' GUA A 23 55.269 51.412 15.497 1.00 0.00 SBOX O ATOM 529 H2' GUA A 23 55.140 51.120 16.402 1.00 0.00 SBOX ATOM 530 O3' GUA A 23 57.404 51.131 17.502 1.00 0.00 SBOX O ATOM 531 P ADE A 24 57.708 49.636 17.953 1.00 0.00 SBOX P ATOM 532 O1P ADE A 24 56.824 49.494 19.106 1.00 0.00 SBOX ATOM 533 O2P ADE A 24 57.652 48.599 16.860 1.00 0.00 SBOX ATOM 534 O5' ADE A 24 59.226 49.710 18.533 1.00 0.00 SBOX O ATOM 535 C5' ADE A 24 60.014 50.882 18.836 1.00 0.00 SBOX C ATOM 536 H5' ADE A 24 59.334 51.675 19.146 1.00 0.00 SBOX ATOM 537 H5'' ADE A 24 60.583 51.182 17.956 1.00 0.00 SBOX ATOM 538 C4' ADE A 24 61.162 50.613 19.864 1.00 0.00 SBOX C ATOM 539 H4' ADE A 24 61.871 51.440 19.838 1.00 0.00 SBOX ATOM 540 O4' ADE A 24 60.820 50.440 21.262 1.00 0.00 SBOX O ATOM 541 C1' ADE A 24 61.384 49.183 21.697 1.00 0.00 SBOX C ATOM 542 H1' ADE A 24 61.876 49.360 22.653 1.00 0.00 SBOX ATOM 543 N9 ADE A 24 60.280 48.188 22.036 1.00 0.00 SBOX N ATOM 544 C8 ADE A 24 58.963 48.213 21.625 1.00 0.00 SBOX C ATOM 545 H8 ADE A 24 58.571 48.967 20.958 1.00 0.00 SBOX ATOM 546 N7 ADE A 24 58.349 47.112 22.038 1.00 0.00 SBOX N ATOM 547 C5 ADE A 24 59.286 46.417 22.785 1.00 0.00 SBOX C ATOM 548 C6 ADE A 24 59.356 45.169 23.554 1.00 0.00 SBOX C ATOM 549 N6 ADE A 24 58.324 44.439 23.739 1.00 0.00 SBOX N ATOM 550 H61 ADE A 24 58.451 43.752 24.467 1.00 0.00 SBOX ATOM 551 H62 ADE A 24 57.413 44.742 23.423 1.00 0.00 SBOX ATOM 552 N1 ADE A 24 60.430 44.725 24.181 1.00 0.00 SBOX N ATOM 553 C2 ADE A 24 61.465 45.513 24.053 1.00 0.00 SBOX C ATOM 554 H2 ADE A 24 62.380 45.139 24.488 1.00 0.00 SBOX ATOM 555 N3 ADE A 24 61.621 46.667 23.460 1.00 0.00 SBOX N ATOM 556 C4 ADE A 24 60.471 47.067 22.820 1.00 0.00 SBOX C ATOM 557 C3' ADE A 24 62.080 49.488 19.338 1.00 0.00 SBOX C ATOM 558 H3' ADE A 24 61.657 48.908 18.517 1.00 0.00 SBOX ATOM 559 C2' ADE A 24 62.309 48.637 20.632 1.00 0.00 SBOX C ATOM 560 H2'' ADE A 24 61.970 47.632 20.381 1.00 0.00 SBOX ATOM 561 O2' ADE A 24 63.634 48.538 21.160 1.00 0.00 SBOX O ATOM 562 H2' ADE A 24 64.202 48.032 20.574 1.00 0.00 SBOX ATOM 563 O3' ADE A 24 63.341 50.042 18.976 1.00 0.00 SBOX O ATOM 564 P CYT A 25 64.257 49.275 17.921 1.00 0.00 SBOX P ATOM 565 O1P CYT A 25 63.411 48.823 16.858 1.00 0.00 SBOX ATOM 566 O2P CYT A 25 65.389 50.133 17.685 1.00 0.00 SBOX ATOM 567 O5' CYT A 25 64.766 48.023 18.713 1.00 0.00 SBOX O ATOM 568 C5' CYT A 25 66.057 48.003 19.317 1.00 0.00 SBOX C ATOM 569 H5' CYT A 25 66.049 48.534 20.269 1.00 0.00 SBOX ATOM 570 H5'' CYT A 25 66.808 48.237 18.562 1.00 0.00 SBOX ATOM 571 C4' CYT A 25 66.085 46.523 19.770 1.00 0.00 SBOX C ATOM 572 H4' CYT A 25 66.986 46.346 20.357 1.00 0.00 SBOX ATOM 573 O4' CYT A 25 64.955 46.269 20.603 1.00 0.00 SBOX O ATOM 574 C1' CYT A 25 64.635 44.911 20.564 1.00 0.00 SBOX C ATOM 575 H1' CYT A 25 64.756 44.472 21.554 1.00 0.00 SBOX ATOM 576 N1 CYT A 25 63.161 44.896 20.335 1.00 0.00 SBOX N ATOM 577 C6 CYT A 25 62.624 45.543 19.261 1.00 0.00 SBOX C ATOM 578 H6 CYT A 25 63.247 46.186 18.657 1.00 0.00 SBOX ATOM 579 C5 CYT A 25 61.309 45.452 18.932 1.00 0.00 SBOX C ATOM 580 H5 CYT A 25 60.836 45.995 18.127 1.00 0.00 SBOX ATOM 581 C4 CYT A 25 60.583 44.550 19.719 1.00 0.00 SBOX C ATOM 582 N4 CYT A 25 59.358 44.410 19.565 1.00 0.00 SBOX N ATOM 583 H41 CYT A 25 58.965 43.764 20.235 1.00 0.00 SBOX ATOM 584 H42 CYT A 25 58.747 44.971 18.990 1.00 0.00 SBOX ATOM 585 N3 CYT A 25 60.995 43.820 20.706 1.00 0.00 SBOX N ATOM 586 C2 CYT A 25 62.376 43.932 20.920 1.00 0.00 SBOX C ATOM 587 O2 CYT A 25 62.874 43.202 21.747 1.00 0.00 SBOX O ATOM 588 C3' CYT A 25 66.014 45.402 18.728 1.00 0.00 SBOX C ATOM 589 H3' CYT A 25 65.302 45.610 17.930 1.00 0.00 SBOX ATOM 590 C2' CYT A 25 65.548 44.123 19.576 1.00 0.00 SBOX C ATOM 591 H2'' CYT A 25 64.934 43.458 18.969 1.00 0.00 SBOX ATOM 592 O2' CYT A 25 66.645 43.409 20.164 1.00 0.00 SBOX O ATOM 593 H2' CYT A 25 66.409 42.639 20.686 1.00 0.00 SBOX ATOM 594 O3' CYT A 25 67.334 45.336 18.110 1.00 0.00 SBOX O ATOM 595 P URA A 26 67.403 44.626 16.665 1.00 0.00 SBOX P ATOM 596 O1P URA A 26 66.626 45.603 15.898 1.00 0.00 SBOX ATOM 597 O2P URA A 26 68.823 44.447 16.320 1.00 0.00 SBOX ATOM 598 O5' URA A 26 66.635 43.179 16.771 1.00 0.00 SBOX O ATOM 599 C5' URA A 26 67.232 41.920 17.181 1.00 0.00 SBOX C ATOM 600 H5' URA A 26 67.525 41.958 18.230 1.00 0.00 SBOX ATOM 601 H5'' URA A 26 68.109 41.708 16.569 1.00 0.00 SBOX ATOM 602 C4' URA A 26 66.274 40.755 17.140 1.00 0.00 SBOX C ATOM 603 H4' URA A 26 66.832 39.922 17.566 1.00 0.00 SBOX ATOM 604 O4' URA A 26 65.076 41.007 17.963 1.00 0.00 SBOX O ATOM 605 C1' URA A 26 64.035 40.104 17.489 1.00 0.00 SBOX C ATOM 606 H1' URA A 26 63.767 39.452 18.321 1.00 0.00 SBOX ATOM 607 N1 URA A 26 62.755 40.885 17.227 1.00 0.00 SBOX N ATOM 608 C6 URA A 26 62.706 42.200 16.958 1.00 0.00 SBOX C ATOM 609 H6 URA A 26 63.620 42.723 16.719 1.00 0.00 SBOX ATOM 610 C5 URA A 26 61.511 42.839 16.826 1.00 0.00 SBOX C ATOM 611 H5 URA A 26 61.469 43.912 16.712 1.00 0.00 SBOX ATOM 612 C4 URA A 26 60.283 42.106 16.968 1.00 0.00 SBOX C ATOM 613 O4 URA A 26 59.103 42.544 16.876 1.00 0.00 SBOX O ATOM 614 N3 URA A 26 60.430 40.729 17.074 1.00 0.00 SBOX N ATOM 615 H3 URA A 26 59.571 40.205 17.164 1.00 0.00 SBOX ATOM 616 C2 URA A 26 61.599 40.022 17.160 1.00 0.00 SBOX C ATOM 617 O2 URA A 26 61.555 38.790 17.015 1.00 0.00 SBOX O ATOM 618 C3' URA A 26 65.753 40.290 15.762 1.00 0.00 SBOX C ATOM 619 H3' URA A 26 65.349 41.175 15.270 1.00 0.00 SBOX ATOM 620 C2' URA A 26 64.625 39.347 16.274 1.00 0.00 SBOX C ATOM 621 H2'' URA A 26 63.823 39.194 15.552 1.00 0.00 SBOX ATOM 622 O2' URA A 26 65.007 38.151 16.872 1.00 0.00 SBOX O ATOM 623 H2' URA A 26 64.179 37.672 16.947 1.00 0.00 SBOX ATOM 624 O3' URA A 26 66.755 39.658 14.895 1.00 0.00 SBOX O ATOM 625 P GUA A 27 66.757 40.011 13.274 1.00 0.00 SBOX P ATOM 626 O1P GUA A 27 66.814 41.463 13.061 1.00 0.00 SBOX ATOM 627 O2P GUA A 27 67.919 39.222 12.778 1.00 0.00 SBOX ATOM 628 O5' GUA A 27 65.364 39.329 12.664 1.00 0.00 SBOX O ATOM 629 C5' GUA A 27 65.315 37.912 12.621 1.00 0.00 SBOX C ATOM 630 H5' GUA A 27 65.597 37.426 13.555 1.00 0.00 SBOX ATOM 631 H5'' GUA A 27 65.998 37.533 11.862 1.00 0.00 SBOX ATOM 632 C4' GUA A 27 63.880 37.349 12.415 1.00 0.00 SBOX C ATOM 633 H4' GUA A 27 64.009 36.269 12.337 1.00 0.00 SBOX ATOM 634 O4' GUA A 27 63.153 37.468 13.653 1.00 0.00 SBOX O ATOM 635 C1' GUA A 27 61.742 37.727 13.372 1.00 0.00 SBOX C ATOM 636 H1' GUA A 27 61.098 37.097 13.986 1.00 0.00 SBOX ATOM 637 N9 GUA A 27 61.379 39.157 13.563 1.00 0.00 SBOX N ATOM 638 C8 GUA A 27 62.151 40.281 13.383 1.00 0.00 SBOX C ATOM 639 H8 GUA A 27 63.231 40.291 13.403 1.00 0.00 SBOX ATOM 640 N7 GUA A 27 61.512 41.413 13.438 1.00 0.00 SBOX N ATOM 641 C5 GUA A 27 60.218 40.999 13.660 1.00 0.00 SBOX C ATOM 642 C6 GUA A 27 59.036 41.807 13.918 1.00 0.00 SBOX C ATOM 643 O6 GUA A 27 58.927 43.031 14.051 1.00 0.00 SBOX O ATOM 644 N1 GUA A 27 57.876 41.025 14.004 1.00 0.00 SBOX N ATOM 645 H1 GUA A 27 57.036 41.483 14.328 1.00 0.00 SBOX ATOM 646 C2 GUA A 27 57.892 39.693 14.013 1.00 0.00 SBOX C ATOM 647 N2 GUA A 27 56.733 39.134 14.061 1.00 0.00 SBOX N ATOM 648 H21 GUA A 27 55.937 39.703 14.314 1.00 0.00 SBOX ATOM 649 H22 GUA A 27 56.752 38.201 13.674 1.00 0.00 SBOX ATOM 650 N3 GUA A 27 58.908 38.893 13.911 1.00 0.00 SBOX N ATOM 651 C4 GUA A 27 60.051 39.632 13.770 1.00 0.00 SBOX C ATOM 652 C3' GUA A 27 62.957 37.922 11.328 1.00 0.00 SBOX C ATOM 653 H3' GUA A 27 63.085 39.001 11.242 1.00 0.00 SBOX ATOM 654 C2' GUA A 27 61.550 37.467 11.903 1.00 0.00 SBOX C ATOM 655 H2'' GUA A 27 60.790 38.135 11.497 1.00 0.00 SBOX ATOM 656 O2' GUA A 27 61.300 36.044 11.720 1.00 0.00 SBOX O ATOM 657 H2' GUA A 27 60.383 35.823 11.898 1.00 0.00 SBOX ATOM 658 O3' GUA A 27 63.301 37.341 10.103 1.00 0.00 SBOX O ATOM 659 P GUA A 28 62.919 38.013 8.769 1.00 0.00 SBOX P ATOM 660 O1P GUA A 28 63.321 39.453 8.777 1.00 0.00 SBOX ATOM 661 O2P GUA A 28 63.433 37.139 7.737 1.00 0.00 SBOX ATOM 662 O5' GUA A 28 61.353 37.986 8.629 1.00 0.00 SBOX O ATOM 663 C5' GUA A 28 60.557 38.987 8.050 1.00 0.00 SBOX C ATOM 664 H5' GUA A 28 60.583 38.860 6.968 1.00 0.00 SBOX ATOM 665 H5'' GUA A 28 60.981 39.973 8.239 1.00 0.00 SBOX ATOM 666 C4' GUA A 28 59.172 38.990 8.554 1.00 0.00 SBOX C ATOM 667 H4' GUA A 28 58.820 37.962 8.465 1.00 0.00 SBOX ATOM 668 O4' GUA A 28 59.165 39.532 9.929 1.00 0.00 SBOX O ATOM 669 C1' GUA A 28 57.985 40.251 10.187 1.00 0.00 SBOX C ATOM 670 H1' GUA A 28 57.505 39.790 11.050 1.00 0.00 SBOX ATOM 671 N9 GUA A 28 58.307 41.641 10.553 1.00 0.00 SBOX N ATOM 672 C8 GUA A 28 59.498 42.274 10.517 1.00 0.00 SBOX C ATOM 673 H8 GUA A 28 60.424 41.880 10.127 1.00 0.00 SBOX ATOM 674 N7 GUA A 28 59.457 43.561 10.917 1.00 0.00 SBOX N ATOM 675 C5 GUA A 28 58.135 43.735 11.368 1.00 0.00 SBOX C ATOM 676 C6 GUA A 28 57.415 44.796 12.016 1.00 0.00 SBOX C ATOM 677 O6 GUA A 28 57.743 45.882 12.428 1.00 0.00 SBOX O ATOM 678 N1 GUA A 28 56.093 44.531 12.060 1.00 0.00 SBOX N ATOM 679 H1 GUA A 28 55.524 45.231 12.515 1.00 0.00 SBOX ATOM 680 C2 GUA A 28 55.489 43.391 11.709 1.00 0.00 SBOX C ATOM 681 N2 GUA A 28 54.213 43.393 11.836 1.00 0.00 SBOX N ATOM 682 H21 GUA A 28 53.752 44.247 12.117 1.00 0.00 SBOX ATOM 683 H22 GUA A 28 53.580 42.659 11.552 1.00 0.00 SBOX ATOM 684 N3 GUA A 28 56.091 42.352 11.094 1.00 0.00 SBOX N ATOM 685 C4 GUA A 28 57.394 42.598 10.987 1.00 0.00 SBOX C ATOM 686 C3' GUA A 28 58.157 39.962 7.882 1.00 0.00 SBOX C ATOM 687 H3' GUA A 28 58.704 40.894 7.745 1.00 0.00 SBOX ATOM 688 C2' GUA A 28 57.051 40.149 8.984 1.00 0.00 SBOX C ATOM 689 H2'' GUA A 28 56.545 41.105 8.848 1.00 0.00 SBOX ATOM 690 O2' GUA A 28 56.268 39.031 9.265 1.00 0.00 SBOX O ATOM 691 H2' GUA A 28 55.741 39.235 10.042 1.00 0.00 SBOX ATOM 692 O3' GUA A 28 57.528 39.447 6.713 1.00 0.00 SBOX O ATOM 693 P CYT A 29 57.462 40.273 5.332 1.00 0.00 SBOX P ATOM 694 O1P CYT A 29 58.702 41.031 5.078 1.00 0.00 SBOX ATOM 695 O2P CYT A 29 57.065 39.245 4.362 1.00 0.00 SBOX ATOM 696 O5' CYT A 29 56.228 41.321 5.413 1.00 0.00 SBOX O ATOM 697 C5' CYT A 29 54.980 40.840 5.688 1.00 0.00 SBOX C ATOM 698 H5' CYT A 29 55.095 39.895 6.217 1.00 0.00 SBOX ATOM 699 H5'' CYT A 29 54.522 40.753 4.703 1.00 0.00 SBOX ATOM 700 C4' CYT A 29 54.170 41.791 6.603 1.00 0.00 SBOX C ATOM 701 H4' CYT A 29 53.163 41.445 6.836 1.00 0.00 SBOX ATOM 702 O4' CYT A 29 54.793 42.021 7.878 1.00 0.00 SBOX O ATOM 703 C1' CYT A 29 54.696 43.432 8.224 1.00 0.00 SBOX C ATOM 704 H1' CYT A 29 54.305 43.512 9.238 1.00 0.00 SBOX ATOM 705 N1 CYT A 29 55.987 44.088 8.167 1.00 0.00 SBOX N ATOM 706 C6 CYT A 29 57.127 43.541 7.616 1.00 0.00 SBOX C ATOM 707 H6 CYT A 29 56.996 42.587 7.128 1.00 0.00 SBOX ATOM 708 C5 CYT A 29 58.287 44.170 7.793 1.00 0.00 SBOX C ATOM 709 H5 CYT A 29 59.145 43.638 7.409 1.00 0.00 SBOX ATOM 710 C4 CYT A 29 58.245 45.423 8.454 1.00 0.00 SBOX C ATOM 711 N4 CYT A 29 59.353 46.152 8.418 1.00 0.00 SBOX N ATOM 712 H41 CYT A 29 59.281 47.138 8.626 1.00 0.00 SBOX ATOM 713 H42 CYT A 29 60.260 45.708 8.414 1.00 0.00 SBOX ATOM 714 N3 CYT A 29 57.199 46.019 8.878 1.00 0.00 SBOX N ATOM 715 C2 CYT A 29 56.043 45.341 8.748 1.00 0.00 SBOX C ATOM 716 O2 CYT A 29 54.990 45.888 9.173 1.00 0.00 SBOX O ATOM 717 C3' CYT A 29 54.106 43.274 6.024 1.00 0.00 SBOX C ATOM 718 H3' CYT A 29 55.117 43.604 5.782 1.00 0.00 SBOX ATOM 719 C2' CYT A 29 53.708 44.055 7.255 1.00 0.00 SBOX C ATOM 720 H2'' CYT A 29 53.774 45.121 7.037 1.00 0.00 SBOX ATOM 721 O2' CYT A 29 52.361 43.992 7.793 1.00 0.00 SBOX O ATOM 722 H2' CYT A 29 52.282 44.530 8.584 1.00 0.00 SBOX ATOM 723 O3' CYT A 29 53.082 43.381 5.018 1.00 0.00 SBOX O ATOM 724 P CYT A 30 52.924 44.610 4.003 1.00 0.00 SBOX P ATOM 725 O1P CYT A 30 54.259 44.892 3.593 1.00 0.00 SBOX ATOM 726 O2P CYT A 30 51.825 44.348 3.052 1.00 0.00 SBOX ATOM 727 O5' CYT A 30 52.398 45.750 5.021 1.00 0.00 SBOX O ATOM 728 C5' CYT A 30 52.665 47.147 4.825 1.00 0.00 SBOX C ATOM 729 H5' CYT A 30 52.165 47.556 3.946 1.00 0.00 SBOX ATOM 730 H5'' CYT A 30 53.729 47.241 4.608 1.00 0.00 SBOX ATOM 731 C4' CYT A 30 52.385 47.958 6.079 1.00 0.00 SBOX C ATOM 732 H4' CYT A 30 51.348 47.849 6.395 1.00 0.00 SBOX ATOM 733 O4' CYT A 30 53.343 47.569 7.156 1.00 0.00 SBOX O ATOM 734 C1' CYT A 30 53.824 48.768 7.816 1.00 0.00 SBOX C ATOM 735 H1' CYT A 30 53.638 48.671 8.886 1.00 0.00 SBOX ATOM 736 N1 CYT A 30 55.259 48.799 7.549 1.00 0.00 SBOX N ATOM 737 C6 CYT A 30 55.900 48.031 6.628 1.00 0.00 SBOX C ATOM 738 H6 CYT A 30 55.352 47.300 6.052 1.00 0.00 SBOX ATOM 739 C5 CYT A 30 57.250 48.070 6.436 1.00 0.00 SBOX C ATOM 740 H5 CYT A 30 57.651 47.313 5.778 1.00 0.00 SBOX ATOM 741 C4 CYT A 30 57.919 49.057 7.172 1.00 0.00 SBOX C ATOM 742 N4 CYT A 30 59.193 49.271 6.954 1.00 0.00 SBOX N ATOM 743 H41 CYT A 30 59.553 50.086 7.431 1.00 0.00 SBOX ATOM 744 H42 CYT A 30 59.766 48.578 6.495 1.00 0.00 SBOX ATOM 745 N3 CYT A 30 57.255 49.992 7.863 1.00 0.00 SBOX N ATOM 746 C2 CYT A 30 55.989 49.806 8.083 1.00 0.00 SBOX C ATOM 747 O2 CYT A 30 55.395 50.633 8.800 1.00 0.00 SBOX O ATOM 748 C3' CYT A 30 52.691 49.385 5.767 1.00 0.00 SBOX C ATOM 749 H3' CYT A 30 53.582 49.426 5.140 1.00 0.00 SBOX ATOM 750 C2' CYT A 30 52.998 49.908 7.204 1.00 0.00 SBOX C ATOM 751 H2'' CYT A 30 53.577 50.820 7.059 1.00 0.00 SBOX ATOM 752 O2' CYT A 30 51.803 50.135 8.005 1.00 0.00 SBOX O ATOM 753 H2' CYT A 30 51.888 50.903 8.574 1.00 0.00 SBOX ATOM 754 O3' CYT A 30 51.543 49.917 5.007 1.00 0.00 SBOX O ATOM 755 P CYT A 31 51.702 51.319 4.288 1.00 0.00 SBOX P ATOM 756 O1P CYT A 31 52.659 51.045 3.214 1.00 0.00 SBOX ATOM 757 O2P CYT A 31 50.367 51.797 3.878 1.00 0.00 SBOX ATOM 758 O5' CYT A 31 52.306 52.363 5.245 1.00 0.00 SBOX O ATOM 759 C5' CYT A 31 51.479 53.075 6.143 1.00 0.00 SBOX C ATOM 760 H5' CYT A 31 51.150 52.356 6.893 1.00 0.00 SBOX ATOM 761 H5'' CYT A 31 50.720 53.606 5.569 1.00 0.00 SBOX ATOM 762 C4' CYT A 31 52.363 54.156 6.835 1.00 0.00 SBOX C ATOM 763 H4' CYT A 31 51.811 54.676 7.619 1.00 0.00 SBOX ATOM 764 O4' CYT A 31 53.378 53.493 7.438 1.00 0.00 SBOX O ATOM 765 C1' CYT A 31 54.554 54.345 7.489 1.00 0.00 SBOX C ATOM 766 H1' CYT A 31 54.807 54.558 8.528 1.00 0.00 SBOX ATOM 767 N1 CYT A 31 55.735 53.694 6.789 1.00 0.00 SBOX N ATOM 768 C6 CYT A 31 55.677 52.686 5.906 1.00 0.00 SBOX C ATOM 769 H6 CYT A 31 54.739 52.257 5.586 1.00 0.00 SBOX ATOM 770 C5 CYT A 31 56.805 52.129 5.457 1.00 0.00 SBOX C ATOM 771 H5 CYT A 31 56.834 51.224 4.867 1.00 0.00 SBOX ATOM 772 C4 CYT A 31 58.017 52.597 6.010 1.00 0.00 SBOX C ATOM 773 N4 CYT A 31 59.164 52.043 5.698 1.00 0.00 SBOX N ATOM 774 H41 CYT A 31 59.894 52.482 6.240 1.00 0.00 SBOX ATOM 775 H42 CYT A 31 59.098 51.075 5.417 1.00 0.00 SBOX ATOM 776 N3 CYT A 31 58.131 53.636 6.718 1.00 0.00 SBOX N ATOM 777 C2 CYT A 31 57.023 54.266 7.095 1.00 0.00 SBOX C ATOM 778 O2 CYT A 31 57.074 55.250 7.738 1.00 0.00 SBOX O ATOM 779 C3' CYT A 31 53.017 55.131 5.898 1.00 0.00 SBOX C ATOM 780 H3' CYT A 31 53.615 54.526 5.215 1.00 0.00 SBOX ATOM 781 C2' CYT A 31 54.130 55.664 6.776 1.00 0.00 SBOX C ATOM 782 H2'' CYT A 31 54.859 56.134 6.116 1.00 0.00 SBOX ATOM 783 O2' CYT A 31 53.713 56.594 7.830 1.00 0.00 SBOX O ATOM 784 H2' CYT A 31 54.504 56.960 8.235 1.00 0.00 SBOX ATOM 785 O3' CYT A 31 52.180 56.062 5.231 1.00 0.00 SBOX O ATOM 786 P GUA A 32 52.678 56.608 3.880 1.00 0.00 SBOX P ATOM 787 O1P GUA A 32 53.193 55.480 3.066 1.00 0.00 SBOX ATOM 788 O2P GUA A 32 51.519 57.345 3.322 1.00 0.00 SBOX ATOM 789 O5' GUA A 32 53.948 57.579 4.129 1.00 0.00 SBOX O ATOM 790 C5' GUA A 32 53.936 58.675 5.051 1.00 0.00 SBOX C ATOM 791 H5' GUA A 32 53.746 58.409 6.091 1.00 0.00 SBOX ATOM 792 H5'' GUA A 32 53.170 59.394 4.762 1.00 0.00 SBOX ATOM 793 C4' GUA A 32 55.380 59.313 5.038 1.00 0.00 SBOX C ATOM 794 H4' GUA A 32 55.380 60.305 5.490 1.00 0.00 SBOX ATOM 795 O4' GUA A 32 56.402 58.561 5.744 1.00 0.00 SBOX O ATOM 796 C1' GUA A 32 57.677 58.685 5.067 1.00 0.00 SBOX C ATOM 797 H1' GUA A 32 58.492 59.039 5.699 1.00 0.00 SBOX ATOM 798 N9 GUA A 32 58.096 57.356 4.593 1.00 0.00 SBOX N ATOM 799 C8 GUA A 32 57.267 56.324 4.262 1.00 0.00 SBOX C ATOM 800 H8 GUA A 32 56.193 56.381 4.354 1.00 0.00 SBOX ATOM 801 N7 GUA A 32 57.933 55.331 3.673 1.00 0.00 SBOX N ATOM 802 C5 GUA A 32 59.261 55.752 3.701 1.00 0.00 SBOX C ATOM 803 C6 GUA A 32 60.459 55.068 3.248 1.00 0.00 SBOX C ATOM 804 O6 GUA A 32 60.699 53.924 2.741 1.00 0.00 SBOX O ATOM 805 N1 GUA A 32 61.564 55.888 3.303 1.00 0.00 SBOX N ATOM 806 H1 GUA A 32 62.448 55.459 3.074 1.00 0.00 SBOX ATOM 807 C2 GUA A 32 61.517 57.158 3.709 1.00 0.00 SBOX C ATOM 808 N2 GUA A 32 62.660 57.676 4.014 1.00 0.00 SBOX N ATOM 809 H21 GUA A 32 63.496 57.110 3.983 1.00 0.00 SBOX ATOM 810 H22 GUA A 32 62.639 58.517 4.572 1.00 0.00 SBOX ATOM 811 N3 GUA A 32 60.486 57.835 4.186 1.00 0.00 SBOX N ATOM 812 C4 GUA A 32 59.349 57.032 4.084 1.00 0.00 SBOX C ATOM 813 C3' GUA A 32 55.869 59.393 3.623 1.00 0.00 SBOX C ATOM 814 H3' GUA A 32 55.722 58.421 3.151 1.00 0.00 SBOX ATOM 815 C2' GUA A 32 57.429 59.635 3.878 1.00 0.00 SBOX C ATOM 816 H2'' GUA A 32 58.049 59.373 3.021 1.00 0.00 SBOX ATOM 817 O2' GUA A 32 57.800 60.937 4.229 1.00 0.00 SBOX O ATOM 818 H2' GUA A 32 58.716 60.941 4.513 1.00 0.00 SBOX ATOM 819 O3' GUA A 32 55.210 60.390 2.896 1.00 0.00 SBOX O ATOM 820 P ADE A 33 55.413 60.454 1.355 1.00 0.00 SBOX P ATOM 821 O1P ADE A 33 56.529 59.654 0.938 1.00 0.00 SBOX ATOM 822 O2P ADE A 33 54.140 60.088 0.754 1.00 0.00 SBOX ATOM 823 O5' ADE A 33 55.836 61.961 1.022 1.00 0.00 SBOX O ATOM 824 C5' ADE A 33 57.009 62.544 1.591 1.00 0.00 SBOX C ATOM 825 H5' ADE A 33 57.802 61.796 1.604 1.00 0.00 SBOX ATOM 826 H5'' ADE A 33 56.694 62.921 2.564 1.00 0.00 SBOX ATOM 827 C4' ADE A 33 57.460 63.742 0.758 1.00 0.00 SBOX C ATOM 828 H4' ADE A 33 56.735 64.540 0.922 1.00 0.00 SBOX ATOM 829 O4' ADE A 33 58.693 64.024 1.279 1.00 0.00 SBOX O ATOM 830 C1' ADE A 33 59.610 64.469 0.338 1.00 0.00 SBOX C ATOM 831 H1' ADE A 33 59.526 65.556 0.371 1.00 0.00 SBOX ATOM 832 N9 ADE A 33 60.957 64.071 0.627 1.00 0.00 SBOX N ATOM 833 C8 ADE A 33 62.088 64.781 0.324 1.00 0.00 SBOX C ATOM 834 H8 ADE A 33 62.092 65.807 -0.013 1.00 0.00 SBOX ATOM 835 N7 ADE A 33 63.185 64.138 0.640 1.00 0.00 SBOX N ATOM 836 C5 ADE A 33 62.701 62.893 1.198 1.00 0.00 SBOX C ATOM 837 C6 ADE A 33 63.267 61.766 1.792 1.00 0.00 SBOX C ATOM 838 N6 ADE A 33 64.526 61.370 1.971 1.00 0.00 SBOX N ATOM 839 H61 ADE A 33 64.635 60.524 2.511 1.00 0.00 SBOX ATOM 840 H62 ADE A 33 65.220 62.094 1.850 1.00 0.00 SBOX ATOM 841 N1 ADE A 33 62.482 60.749 2.107 1.00 0.00 SBOX N ATOM 842 C2 ADE A 33 61.179 60.756 1.951 1.00 0.00 SBOX C ATOM 843 H2 ADE A 33 60.629 59.908 2.331 1.00 0.00 SBOX ATOM 844 N3 ADE A 33 60.509 61.815 1.417 1.00 0.00 SBOX N ATOM 845 C4 ADE A 33 61.324 62.827 1.090 1.00 0.00 SBOX C ATOM 846 C3' ADE A 33 57.652 63.408 -0.697 1.00 0.00 SBOX C ATOM 847 H3' ADE A 33 57.485 62.351 -0.907 1.00 0.00 SBOX ATOM 848 C2' ADE A 33 59.147 63.736 -0.981 1.00 0.00 SBOX C ATOM 849 H2'' ADE A 33 59.665 62.783 -1.090 1.00 0.00 SBOX ATOM 850 O2' ADE A 33 59.348 64.648 -2.101 1.00 0.00 SBOX O ATOM 851 H2' ADE A 33 58.599 65.247 -2.143 1.00 0.00 SBOX ATOM 852 O3' ADE A 33 56.721 64.053 -1.576 1.00 0.00 SBOX O ATOM 853 P URA A 34 56.282 65.592 -1.663 1.00 0.00 SBOX P ATOM 854 O1P URA A 34 57.538 66.371 -1.488 1.00 0.00 SBOX ATOM 855 O2P URA A 34 55.583 65.773 -2.931 1.00 0.00 SBOX ATOM 856 O5' URA A 34 55.357 66.048 -0.317 1.00 0.00 SBOX O ATOM 857 C5' URA A 34 54.226 65.312 0.267 1.00 0.00 SBOX C ATOM 858 H5' URA A 34 54.309 65.472 1.342 1.00 0.00 SBOX ATOM 859 H5'' URA A 34 54.312 64.227 0.207 1.00 0.00 SBOX ATOM 860 C4' URA A 34 52.885 65.808 -0.239 1.00 0.00 SBOX C ATOM 861 H4' URA A 34 52.704 66.883 -0.203 1.00 0.00 SBOX ATOM 862 O4' URA A 34 52.680 65.428 -1.652 1.00 0.00 SBOX O ATOM 863 C1' URA A 34 51.226 65.159 -1.795 1.00 0.00 SBOX C ATOM 864 H1' URA A 34 51.084 65.924 -2.559 1.00 0.00 SBOX ATOM 865 N1 URA A 34 50.896 63.908 -2.451 1.00 0.00 SBOX N ATOM 866 C6 URA A 34 51.842 63.365 -3.223 1.00 0.00 SBOX C ATOM 867 H6 URA A 34 52.889 63.592 -3.089 1.00 0.00 SBOX ATOM 868 C5 URA A 34 51.568 62.294 -4.026 1.00 0.00 SBOX C ATOM 869 H5 URA A 34 52.378 61.888 -4.614 1.00 0.00 SBOX ATOM 870 C4 URA A 34 50.254 61.678 -4.128 1.00 0.00 SBOX C ATOM 871 O4 URA A 34 49.924 60.790 -4.871 1.00 0.00 SBOX O ATOM 872 N3 URA A 34 49.354 62.230 -3.128 1.00 0.00 SBOX N ATOM 873 H3 URA A 34 48.488 61.733 -2.972 1.00 0.00 SBOX ATOM 874 C2 URA A 34 49.644 63.373 -2.373 1.00 0.00 SBOX C ATOM 875 O2 URA A 34 48.697 63.891 -1.782 1.00 0.00 SBOX O ATOM 876 C3' URA A 34 51.711 65.221 0.528 1.00 0.00 SBOX C ATOM 877 H3' URA A 34 51.865 64.144 0.596 1.00 0.00 SBOX ATOM 878 C2' URA A 34 50.576 65.496 -0.409 1.00 0.00 SBOX C ATOM 879 H2'' URA A 34 49.758 64.896 -0.009 1.00 0.00 SBOX ATOM 880 O2' URA A 34 50.190 66.873 -0.362 1.00 0.00 SBOX O ATOM 881 H2' URA A 34 50.131 67.199 0.539 1.00 0.00 SBOX ATOM 882 O3' URA A 34 51.387 65.934 1.675 1.00 0.00 SBOX O ATOM 883 P GUA A 35 52.005 65.541 3.189 1.00 0.00 SBOX P ATOM 884 O1P GUA A 35 50.956 65.847 4.120 1.00 0.00 SBOX ATOM 885 O2P GUA A 35 52.565 64.183 3.119 1.00 0.00 SBOX ATOM 886 O5' GUA A 35 53.189 66.720 3.289 1.00 0.00 SBOX O ATOM 887 C5' GUA A 35 54.102 66.824 4.360 1.00 0.00 SBOX C ATOM 888 H5' GUA A 35 53.740 67.087 5.354 1.00 0.00 SBOX ATOM 889 H5'' GUA A 35 54.768 67.615 4.017 1.00 0.00 SBOX ATOM 890 C4' GUA A 35 54.817 65.479 4.614 1.00 0.00 SBOX C ATOM 891 H4' GUA A 35 54.161 64.648 4.874 1.00 0.00 SBOX ATOM 892 O4' GUA A 35 55.692 65.133 3.523 1.00 0.00 SBOX O ATOM 893 C1' GUA A 35 57.013 65.314 3.843 1.00 0.00 SBOX C ATOM 894 H1' GUA A 35 57.691 64.555 3.454 1.00 0.00 SBOX ATOM 895 N9 GUA A 35 57.496 66.608 3.255 1.00 0.00 SBOX N ATOM 896 C8 GUA A 35 56.888 67.464 2.371 1.00 0.00 SBOX C ATOM 897 H8 GUA A 35 55.893 67.352 1.965 1.00 0.00 SBOX ATOM 898 N7 GUA A 35 57.507 68.543 2.045 1.00 0.00 SBOX N ATOM 899 C5 GUA A 35 58.722 68.291 2.668 1.00 0.00 SBOX C ATOM 900 C6 GUA A 35 59.919 69.068 2.555 1.00 0.00 SBOX C ATOM 901 O6 GUA A 35 60.193 70.157 2.026 1.00 0.00 SBOX O ATOM 902 N1 GUA A 35 61.067 68.405 3.079 1.00 0.00 SBOX N ATOM 903 H1 GUA A 35 62.023 68.710 2.958 1.00 0.00 SBOX ATOM 904 C2 GUA A 35 61.020 67.141 3.655 1.00 0.00 SBOX C ATOM 905 N2 GUA A 35 62.161 66.672 3.924 1.00 0.00 SBOX N ATOM 906 H21 GUA A 35 63.014 67.208 3.848 1.00 0.00 SBOX ATOM 907 H22 GUA A 35 62.035 65.730 4.266 1.00 0.00 SBOX ATOM 908 N3 GUA A 35 59.913 66.400 3.771 1.00 0.00 SBOX N ATOM 909 C4 GUA A 35 58.791 67.069 3.274 1.00 0.00 SBOX C ATOM 910 C3' GUA A 35 55.683 65.641 5.843 1.00 0.00 SBOX C ATOM 911 H3' GUA A 35 55.682 66.719 6.002 1.00 0.00 SBOX ATOM 912 C2' GUA A 35 56.983 65.003 5.334 1.00 0.00 SBOX C ATOM 913 H2'' GUA A 35 57.851 65.460 5.809 1.00 0.00 SBOX ATOM 914 O2' GUA A 35 57.054 63.555 5.421 1.00 0.00 SBOX O ATOM 915 H2' GUA A 35 56.837 63.322 6.327 1.00 0.00 SBOX ATOM 916 O3' GUA A 35 55.107 65.037 7.003 1.00 0.00 SBOX O ATOM 917 P ADE A 36 55.946 65.088 8.394 1.00 0.00 SBOX P ATOM 918 O1P ADE A 36 56.899 66.171 8.266 1.00 0.00 SBOX ATOM 919 O2P ADE A 36 54.916 65.016 9.459 1.00 0.00 SBOX ATOM 920 O5' ADE A 36 56.758 63.666 8.483 1.00 0.00 SBOX O ATOM 921 C5' ADE A 36 56.020 62.367 8.555 1.00 0.00 SBOX C ATOM 922 H5' ADE A 36 55.526 61.931 7.686 1.00 0.00 SBOX ATOM 923 H5'' ADE A 36 55.281 62.460 9.351 1.00 0.00 SBOX ATOM 924 C4' ADE A 36 57.065 61.247 8.925 1.00 0.00 SBOX C ATOM 925 H4' ADE A 36 56.516 60.308 8.991 1.00 0.00 SBOX ATOM 926 O4' ADE A 36 58.165 61.033 8.030 1.00 0.00 SBOX O ATOM 927 C1' ADE A 36 59.429 61.032 8.733 1.00 0.00 SBOX C ATOM 928 H1' ADE A 36 60.190 60.296 8.471 1.00 0.00 SBOX ATOM 929 N9 ADE A 36 60.191 62.317 8.558 1.00 0.00 SBOX N ATOM 930 C8 ADE A 36 59.749 63.341 7.756 1.00 0.00 SBOX C ATOM 931 H8 ADE A 36 58.789 63.475 7.280 1.00 0.00 SBOX ATOM 932 N7 ADE A 36 60.631 64.327 7.644 1.00 0.00 SBOX N ATOM 933 C5 ADE A 36 61.646 63.960 8.549 1.00 0.00 SBOX C ATOM 934 C6 ADE A 36 62.856 64.535 8.983 1.00 0.00 SBOX C ATOM 935 N6 ADE A 36 63.139 65.781 8.982 1.00 0.00 SBOX N ATOM 936 H61 ADE A 36 64.123 65.977 9.100 1.00 0.00 SBOX ATOM 937 H62 ADE A 36 62.519 66.411 8.494 1.00 0.00 SBOX ATOM 938 N1 ADE A 36 63.758 63.871 9.600 1.00 0.00 SBOX N ATOM 939 C2 ADE A 36 63.491 62.612 9.933 1.00 0.00 SBOX C ATOM 940 H2 ADE A 36 64.266 62.190 10.556 1.00 0.00 SBOX ATOM 941 N3 ADE A 36 62.313 61.983 9.752 1.00 0.00 SBOX N ATOM 942 C4 ADE A 36 61.435 62.704 9.001 1.00 0.00 SBOX C ATOM 943 C3' ADE A 36 57.628 61.456 10.331 1.00 0.00 SBOX C ATOM 944 H3' ADE A 36 57.987 62.466 10.529 1.00 0.00 SBOX ATOM 945 C2' ADE A 36 58.989 60.723 10.176 1.00 0.00 SBOX C ATOM 946 H2'' ADE A 36 59.813 61.056 10.807 1.00 0.00 SBOX ATOM 947 O2' ADE A 36 58.857 59.299 10.293 1.00 0.00 SBOX O ATOM 948 H2' ADE A 36 58.408 59.084 11.114 1.00 0.00 SBOX ATOM 949 O3' ADE A 36 56.827 61.113 11.437 1.00 0.00 SBOX O ATOM 950 P ADE A 37 57.017 61.907 12.813 1.00 0.00 SBOX P ATOM 951 O1P ADE A 37 56.884 63.343 12.722 1.00 0.00 SBOX ATOM 952 O2P ADE A 37 56.348 61.205 13.912 1.00 0.00 SBOX ATOM 953 O5' ADE A 37 58.536 61.770 13.207 1.00 0.00 SBOX O ATOM 954 C5' ADE A 37 59.170 60.516 13.720 1.00 0.00 SBOX C ATOM 955 H5' ADE A 37 59.144 59.787 12.910 1.00 0.00 SBOX ATOM 956 H5'' ADE A 37 58.597 60.019 14.503 1.00 0.00 SBOX ATOM 957 C4' ADE A 37 60.587 60.817 14.172 1.00 0.00 SBOX C ATOM 958 H4' ADE A 37 61.006 59.996 14.754 1.00 0.00 SBOX ATOM 959 O4' ADE A 37 61.422 61.290 13.108 1.00 0.00 SBOX O ATOM 960 C1' ADE A 37 62.199 62.368 13.550 1.00 0.00 SBOX C ATOM 961 H1' ADE A 37 63.254 62.156 13.377 1.00 0.00 SBOX ATOM 962 N9 ADE A 37 61.932 63.639 13.044 1.00 0.00 SBOX N ATOM 963 C8 ADE A 37 60.852 64.120 12.428 1.00 0.00 SBOX C ATOM 964 H8 ADE A 37 59.911 63.591 12.390 1.00 0.00 SBOX ATOM 965 N7 ADE A 37 60.996 65.316 11.926 1.00 0.00 SBOX N ATOM 966 C5 ADE A 37 62.341 65.654 12.213 1.00 0.00 SBOX C ATOM 967 C6 ADE A 37 63.175 66.758 11.946 1.00 0.00 SBOX C ATOM 968 N6 ADE A 37 62.901 68.005 11.457 1.00 0.00 SBOX N ATOM 969 H61 ADE A 37 63.639 68.691 11.527 1.00 0.00 SBOX ATOM 970 H62 ADE A 37 62.057 68.111 10.912 1.00 0.00 SBOX ATOM 971 N1 ADE A 37 64.463 66.718 12.398 1.00 0.00 SBOX N ATOM 972 C2 ADE A 37 64.806 65.676 13.124 1.00 0.00 SBOX C ATOM 973 H2 ADE A 37 65.791 65.754 13.560 1.00 0.00 SBOX ATOM 974 N3 ADE A 37 64.127 64.611 13.456 1.00 0.00 SBOX N ATOM 975 C4 ADE A 37 62.900 64.637 12.897 1.00 0.00 SBOX C ATOM 976 C3' ADE A 37 60.610 61.965 15.254 1.00 0.00 SBOX C ATOM 977 H3' ADE A 37 59.911 62.765 15.011 1.00 0.00 SBOX ATOM 978 C2' ADE A 37 62.082 62.394 15.036 1.00 0.00 SBOX C ATOM 979 H2'' ADE A 37 62.243 63.391 15.444 1.00 0.00 SBOX ATOM 980 O2' ADE A 37 63.051 61.546 15.530 1.00 0.00 SBOX O ATOM 981 H2' ADE A 37 62.630 60.887 16.087 1.00 0.00 SBOX ATOM 982 O3' ADE A 37 60.551 61.375 16.573 1.00 0.00 SBOX O ATOM 983 P ADE A 38 59.627 62.089 17.662 1.00 0.00 SBOX P ATOM 984 O1P ADE A 38 58.315 62.538 17.204 1.00 0.00 SBOX ATOM 985 O2P ADE A 38 59.639 61.227 18.903 1.00 0.00 SBOX ATOM 986 O5' ADE A 38 60.401 63.402 18.088 1.00 0.00 SBOX O ATOM 987 C5' ADE A 38 61.823 63.402 18.314 1.00 0.00 SBOX C ATOM 988 H5' ADE A 38 62.321 62.678 17.670 1.00 0.00 SBOX ATOM 989 H5'' ADE A 38 61.940 63.042 19.337 1.00 0.00 SBOX ATOM 990 C4' ADE A 38 62.417 64.836 18.202 1.00 0.00 SBOX C ATOM 991 H4' ADE A 38 63.411 64.681 18.623 1.00 0.00 SBOX ATOM 992 O4' ADE A 38 62.670 65.161 16.883 1.00 0.00 SBOX O ATOM 993 C1' ADE A 38 62.498 66.479 16.723 1.00 0.00 SBOX C ATOM 994 H1' ADE A 38 63.359 66.756 16.115 1.00 0.00 SBOX ATOM 995 N9 ADE A 38 61.335 66.774 15.970 1.00 0.00 SBOX N ATOM 996 C8 ADE A 38 60.208 66.001 15.800 1.00 0.00 SBOX C ATOM 997 H8 ADE A 38 60.149 65.018 16.244 1.00 0.00 SBOX ATOM 998 N7 ADE A 38 59.318 66.556 15.008 1.00 0.00 SBOX N ATOM 999 C5 ADE A 38 59.985 67.732 14.585 1.00 0.00 SBOX C ATOM 1000 C6 ADE A 38 59.559 68.783 13.765 1.00 0.00 SBOX C ATOM 1001 N6 ADE A 38 58.518 68.824 12.983 1.00 0.00 SBOX N ATOM 1002 H61 ADE A 38 58.442 69.558 12.293 1.00 0.00 SBOX ATOM 1003 H62 ADE A 38 58.030 67.947 12.872 1.00 0.00 SBOX ATOM 1004 N1 ADE A 38 60.301 69.882 13.769 1.00 0.00 SBOX N ATOM 1005 C2 ADE A 38 61.401 69.960 14.525 1.00 0.00 SBOX C ATOM 1006 H2 ADE A 38 61.766 70.974 14.590 1.00 0.00 SBOX ATOM 1007 N3 ADE A 38 61.930 69.027 15.342 1.00 0.00 SBOX N ATOM 1008 C4 ADE A 38 61.149 67.909 15.288 1.00 0.00 SBOX C ATOM 1009 C3' ADE A 38 61.857 65.985 18.940 1.00 0.00 SBOX C ATOM 1010 H3' ADE A 38 60.780 66.036 18.784 1.00 0.00 SBOX ATOM 1011 C2' ADE A 38 62.521 67.136 18.071 1.00 0.00 SBOX C ATOM 1012 H2'' ADE A 38 61.917 68.039 18.159 1.00 0.00 SBOX ATOM 1013 O2' ADE A 38 63.827 67.448 18.484 1.00 0.00 SBOX O ATOM 1014 H2' ADE A 38 63.749 67.543 19.436 1.00 0.00 SBOX ATOM 1015 O3' ADE A 38 62.218 66.120 20.281 1.00 0.00 SBOX O ATOM 1016 P CYT A 39 61.254 66.841 21.376 1.00 0.00 SBOX P ATOM 1017 O1P CYT A 39 59.960 66.252 21.241 1.00 0.00 SBOX ATOM 1018 O2P CYT A 39 61.958 66.683 22.681 1.00 0.00 SBOX ATOM 1019 O5' CYT A 39 61.248 68.417 20.850 1.00 0.00 SBOX O ATOM 1020 C5' CYT A 39 62.346 69.345 21.138 1.00 0.00 SBOX C ATOM 1021 H5' CYT A 39 63.183 68.986 20.538 1.00 0.00 SBOX ATOM 1022 H5'' CYT A 39 62.558 69.416 22.205 1.00 0.00 SBOX ATOM 1023 C4' CYT A 39 62.137 70.742 20.410 1.00 0.00 SBOX C ATOM 1024 H4' CYT A 39 62.931 71.402 20.759 1.00 0.00 SBOX ATOM 1025 O4' CYT A 39 62.043 70.591 18.985 1.00 0.00 SBOX O ATOM 1026 C1' CYT A 39 61.026 71.545 18.529 1.00 0.00 SBOX C ATOM 1027 H1' CYT A 39 61.473 72.294 17.875 1.00 0.00 SBOX ATOM 1028 N1 CYT A 39 59.955 70.915 17.756 1.00 0.00 SBOX N ATOM 1029 C6 CYT A 39 59.587 69.603 17.933 1.00 0.00 SBOX C ATOM 1030 H6 CYT A 39 60.255 68.937 18.459 1.00 0.00 SBOX ATOM 1031 C5 CYT A 39 58.420 69.104 17.479 1.00 0.00 SBOX C ATOM 1032 H5 CYT A 39 58.088 68.090 17.647 1.00 0.00 SBOX ATOM 1033 C4 CYT A 39 57.719 69.933 16.589 1.00 0.00 SBOX C ATOM 1034 N4 CYT A 39 56.656 69.456 15.982 1.00 0.00 SBOX N ATOM 1035 H41 CYT A 39 56.243 70.127 15.350 1.00 0.00 SBOX ATOM 1036 H42 CYT A 39 56.513 68.457 16.033 1.00 0.00 SBOX ATOM 1037 N3 CYT A 39 58.044 71.193 16.269 1.00 0.00 SBOX N ATOM 1038 C2 CYT A 39 59.085 71.704 16.936 1.00 0.00 SBOX C ATOM 1039 O2 CYT A 39 59.430 72.878 16.684 1.00 0.00 SBOX O ATOM 1040 C3' CYT A 39 60.834 71.456 20.860 1.00 0.00 SBOX C ATOM 1041 H3' CYT A 39 60.175 70.603 21.026 1.00 0.00 SBOX ATOM 1042 C2' CYT A 39 60.425 72.302 19.681 1.00 0.00 SBOX C ATOM 1043 H2'' CYT A 39 59.348 72.157 19.591 1.00 0.00 SBOX ATOM 1044 O2' CYT A 39 60.894 73.615 19.540 1.00 0.00 SBOX O ATOM 1045 H2' CYT A 39 60.113 74.108 19.802 1.00 0.00 SBOX ATOM 1046 O3' CYT A 39 61.008 72.259 22.042 1.00 0.00 SBOX O ATOM 1047 P CYT A 40 59.781 72.530 23.041 1.00 0.00 SBOX P ATOM 1048 O1P CYT A 40 59.190 71.166 23.299 1.00 0.00 SBOX ATOM 1049 O2P CYT A 40 60.360 73.293 24.219 1.00 0.00 SBOX ATOM 1050 O5' CYT A 40 58.796 73.428 22.202 1.00 0.00 SBOX O ATOM 1051 C5' CYT A 40 59.240 74.779 21.922 1.00 0.00 SBOX C ATOM 1052 H5' CYT A 40 60.188 74.637 21.402 1.00 0.00 SBOX ATOM 1053 H5'' CYT A 40 59.497 75.315 22.836 1.00 0.00 SBOX ATOM 1054 C4' CYT A 40 58.109 75.424 21.175 1.00 0.00 SBOX C ATOM 1055 H4' CYT A 40 58.458 76.411 20.872 1.00 0.00 SBOX ATOM 1056 O4' CYT A 40 57.970 74.761 19.967 1.00 0.00 SBOX O ATOM 1057 C1' CYT A 40 56.634 74.951 19.528 1.00 0.00 SBOX C ATOM 1058 H1' CYT A 40 56.637 75.731 18.766 1.00 0.00 SBOX ATOM 1059 N1 CYT A 40 56.118 73.596 19.108 1.00 0.00 SBOX N ATOM 1060 C6 CYT A 40 56.529 72.403 19.693 1.00 0.00 SBOX C ATOM 1061 H6 CYT A 40 57.421 72.382 20.302 1.00 0.00 SBOX ATOM 1062 C5 CYT A 40 56.077 71.205 19.247 1.00 0.00 SBOX C ATOM 1063 H5 CYT A 40 56.409 70.243 19.609 1.00 0.00 SBOX ATOM 1064 C4 CYT A 40 54.933 71.240 18.411 1.00 0.00 SBOX C ATOM 1065 N4 CYT A 40 54.375 70.141 18.053 1.00 0.00 SBOX N ATOM 1066 H41 CYT A 40 53.847 70.278 17.203 1.00 0.00 SBOX ATOM 1067 H42 CYT A 40 54.927 69.299 18.136 1.00 0.00 SBOX ATOM 1068 N3 CYT A 40 54.458 72.386 17.942 1.00 0.00 SBOX N ATOM 1069 C2 CYT A 40 55.046 73.520 18.246 1.00 0.00 SBOX C ATOM 1070 O2 CYT A 40 54.560 74.552 17.785 1.00 0.00 SBOX O ATOM 1071 C3' CYT A 40 56.680 75.493 21.845 1.00 0.00 SBOX C ATOM 1072 H3' CYT A 40 56.549 74.577 22.420 1.00 0.00 SBOX ATOM 1073 C2' CYT A 40 55.808 75.548 20.626 1.00 0.00 SBOX C ATOM 1074 H2'' CYT A 40 54.934 74.901 20.694 1.00 0.00 SBOX ATOM 1075 O2' CYT A 40 55.420 76.914 20.307 1.00 0.00 SBOX O ATOM 1076 H2' CYT A 40 54.480 77.083 20.402 1.00 0.00 SBOX ATOM 1077 O3' CYT A 40 56.353 76.466 22.762 1.00 0.00 SBOX O ATOM 1078 P CYT A 41 55.068 76.205 23.695 1.00 0.00 SBOX P ATOM 1079 O1P CYT A 41 55.293 74.894 24.345 1.00 0.00 SBOX ATOM 1080 O2P CYT A 41 54.998 77.388 24.541 1.00 0.00 SBOX ATOM 1081 O5' CYT A 41 53.682 76.147 22.887 1.00 0.00 SBOX O ATOM 1082 C5' CYT A 41 52.991 77.348 22.601 1.00 0.00 SBOX C ATOM 1083 H5' CYT A 41 53.662 78.179 22.384 1.00 0.00 SBOX ATOM 1084 H5'' CYT A 41 52.428 77.658 23.482 1.00 0.00 SBOX ATOM 1085 C4' CYT A 41 51.983 77.168 21.425 1.00 0.00 SBOX C ATOM 1086 H4' CYT A 41 51.817 78.182 21.063 1.00 0.00 SBOX ATOM 1087 O4' CYT A 41 52.629 76.668 20.274 1.00 0.00 SBOX O ATOM 1088 C1' CYT A 41 51.633 75.805 19.620 1.00 0.00 SBOX C ATOM 1089 H1' CYT A 41 51.520 76.132 18.587 1.00 0.00 SBOX ATOM 1090 N1 CYT A 41 51.911 74.363 19.710 1.00 0.00 SBOX N ATOM 1091 C6 CYT A 41 52.576 73.810 20.753 1.00 0.00 SBOX C ATOM 1092 H6 CYT A 41 53.024 74.445 21.503 1.00 0.00 SBOX ATOM 1093 C5 CYT A 41 52.671 72.463 20.887 1.00 0.00 SBOX C ATOM 1094 H5 CYT A 41 53.152 71.932 21.695 1.00 0.00 SBOX ATOM 1095 C4 CYT A 41 52.007 71.648 19.975 1.00 0.00 SBOX C ATOM 1096 N4 CYT A 41 52.004 70.373 19.993 1.00 0.00 SBOX N ATOM 1097 H41 CYT A 41 51.567 69.905 19.212 1.00 0.00 SBOX ATOM 1098 H42 CYT A 41 52.707 69.885 20.531 1.00 0.00 SBOX ATOM 1099 N3 CYT A 41 51.238 72.196 19.039 1.00 0.00 SBOX N ATOM 1100 C2 CYT A 41 51.286 73.544 18.818 1.00 0.00 SBOX C ATOM 1101 O2 CYT A 41 50.545 74.010 17.949 1.00 0.00 SBOX O ATOM 1102 C3' CYT A 41 50.737 76.349 21.700 1.00 0.00 SBOX C ATOM 1103 H3' CYT A 41 50.984 75.376 22.125 1.00 0.00 SBOX ATOM 1104 C2' CYT A 41 50.253 76.122 20.257 1.00 0.00 SBOX C ATOM 1105 H2'' CYT A 41 49.566 75.280 20.164 1.00 0.00 SBOX ATOM 1106 O2' CYT A 41 49.668 77.271 19.527 1.00 0.00 SBOX O ATOM 1107 H2' CYT A 41 50.369 77.778 19.111 1.00 0.00 SBOX ATOM 1108 O3' CYT A 41 49.838 77.061 22.440 1.00 0.00 SBOX O ATOM 1109 P GUA A 42 48.708 76.345 23.296 1.00 0.00 SBOX P ATOM 1110 O1P GUA A 42 49.374 75.456 24.270 1.00 0.00 SBOX ATOM 1111 O2P GUA A 42 47.807 77.363 23.818 1.00 0.00 SBOX ATOM 1112 O5' GUA A 42 47.844 75.463 22.285 1.00 0.00 SBOX O ATOM 1113 C5' GUA A 42 46.927 75.957 21.370 1.00 0.00 SBOX C ATOM 1114 H5' GUA A 42 47.525 76.498 20.637 1.00 0.00 SBOX ATOM 1115 H5'' GUA A 42 46.171 76.566 21.864 1.00 0.00 SBOX ATOM 1116 C4' GUA A 42 46.264 74.804 20.517 1.00 0.00 SBOX C ATOM 1117 H4' GUA A 42 45.431 75.285 20.003 1.00 0.00 SBOX ATOM 1118 O4' GUA A 42 47.105 74.140 19.593 1.00 0.00 SBOX O ATOM 1119 C1' GUA A 42 46.995 72.697 19.682 1.00 0.00 SBOX C ATOM 1120 H1' GUA A 42 46.949 72.306 18.665 1.00 0.00 SBOX ATOM 1121 N9 GUA A 42 47.975 71.967 20.489 1.00 0.00 SBOX N ATOM 1122 C8 GUA A 42 48.897 72.449 21.403 1.00 0.00 SBOX C ATOM 1123 H8 GUA A 42 48.921 73.487 21.700 1.00 0.00 SBOX ATOM 1124 N7 GUA A 42 49.531 71.570 22.092 1.00 0.00 SBOX N ATOM 1125 C5 GUA A 42 49.157 70.378 21.501 1.00 0.00 SBOX C ATOM 1126 C6 GUA A 42 49.585 69.056 21.727 1.00 0.00 SBOX C ATOM 1127 O6 GUA A 42 50.322 68.559 22.605 1.00 0.00 SBOX O ATOM 1128 N1 GUA A 42 48.970 68.121 20.977 1.00 0.00 SBOX N ATOM 1129 H1 GUA A 42 49.257 67.158 21.075 1.00 0.00 SBOX ATOM 1130 C2 GUA A 42 48.042 68.408 19.963 1.00 0.00 SBOX C ATOM 1131 N2 GUA A 42 47.456 67.438 19.381 1.00 0.00 SBOX N ATOM 1132 H21 GUA A 42 47.597 66.493 19.709 1.00 0.00 SBOX ATOM 1133 H22 GUA A 42 46.761 67.671 18.687 1.00 0.00 SBOX ATOM 1134 N3 GUA A 42 47.616 69.642 19.680 1.00 0.00 SBOX N ATOM 1135 C4 GUA A 42 48.231 70.578 20.495 1.00 0.00 SBOX C ATOM 1136 C3' GUA A 42 45.576 73.691 21.263 1.00 0.00 SBOX C ATOM 1137 H3' GUA A 42 46.111 73.528 22.199 1.00 0.00 SBOX ATOM 1138 C2' GUA A 42 45.608 72.510 20.340 1.00 0.00 SBOX C ATOM 1139 H2'' GUA A 42 45.598 71.661 21.023 1.00 0.00 SBOX ATOM 1140 O2' GUA A 42 44.618 72.276 19.323 1.00 0.00 SBOX O ATOM 1141 H2' GUA A 42 43.863 71.938 19.809 1.00 0.00 SBOX ATOM 1142 O3' GUA A 42 44.230 74.048 21.624 1.00 0.00 SBOX O ATOM 1143 P GUA A 43 43.256 73.275 22.699 1.00 0.00 SBOX P ATOM 1144 O1P GUA A 43 43.677 73.530 24.080 1.00 0.00 SBOX ATOM 1145 O2P GUA A 43 41.964 73.863 22.306 1.00 0.00 SBOX ATOM 1146 O5' GUA A 43 43.239 71.678 22.310 1.00 0.00 SBOX O ATOM 1147 C5' GUA A 43 42.409 71.072 21.337 1.00 0.00 SBOX C ATOM 1148 H5' GUA A 43 42.380 71.659 20.419 1.00 0.00 SBOX ATOM 1149 H5'' GUA A 43 41.371 70.998 21.662 1.00 0.00 SBOX ATOM 1150 C4' GUA A 43 42.671 69.609 21.023 1.00 0.00 SBOX C ATOM 1151 H4' GUA A 43 42.098 69.455 20.108 1.00 0.00 SBOX ATOM 1152 O4' GUA A 43 43.974 69.396 20.704 1.00 0.00 SBOX O ATOM 1153 C1' GUA A 43 44.366 68.106 21.112 1.00 0.00 SBOX C ATOM 1154 H1' GUA A 43 44.695 67.617 20.196 1.00 0.00 SBOX ATOM 1155 N9 GUA A 43 45.398 68.245 22.167 1.00 0.00 SBOX N ATOM 1156 C8 GUA A 43 46.039 69.362 22.618 1.00 0.00 SBOX C ATOM 1157 H8 GUA A 43 45.709 70.350 22.332 1.00 0.00 SBOX ATOM 1158 N7 GUA A 43 47.037 69.192 23.401 1.00 0.00 SBOX N ATOM 1159 C5 GUA A 43 47.211 67.798 23.466 1.00 0.00 SBOX C ATOM 1160 C6 GUA A 43 48.097 66.889 24.152 1.00 0.00 SBOX C ATOM 1161 O6 GUA A 43 49.090 67.131 24.859 1.00 0.00 SBOX O ATOM 1162 N1 GUA A 43 47.891 65.562 23.931 1.00 0.00 SBOX N ATOM 1163 H1 GUA A 43 48.547 64.857 24.237 1.00 0.00 SBOX ATOM 1164 C2 GUA A 43 46.911 65.099 23.169 1.00 0.00 SBOX C ATOM 1165 N2 GUA A 43 46.881 63.783 23.075 1.00 0.00 SBOX N ATOM 1166 H21 GUA A 43 47.532 63.309 23.685 1.00 0.00 SBOX ATOM 1167 H22 GUA A 43 46.075 63.324 22.675 1.00 0.00 SBOX ATOM 1168 N3 GUA A 43 46.007 65.877 22.576 1.00 0.00 SBOX N ATOM 1169 C4 GUA A 43 46.205 67.228 22.692 1.00 0.00 SBOX C ATOM 1170 C3' GUA A 43 42.338 68.659 22.118 1.00 0.00 SBOX C ATOM 1171 H3' GUA A 43 42.648 68.980 23.113 1.00 0.00 SBOX ATOM 1172 C2' GUA A 43 43.134 67.472 21.637 1.00 0.00 SBOX C ATOM 1173 H2'' GUA A 43 43.495 66.766 22.385 1.00 0.00 SBOX ATOM 1174 O2' GUA A 43 42.594 66.716 20.523 1.00 0.00 SBOX O ATOM 1175 H2' GUA A 43 43.116 65.931 20.340 1.00 0.00 SBOX ATOM 1176 O3' GUA A 43 40.941 68.493 21.994 1.00 0.00 SBOX O ATOM 1177 P CYT A 44 40.076 67.982 23.257 1.00 0.00 SBOX P ATOM 1178 O1P CYT A 44 40.465 68.784 24.385 1.00 0.00 SBOX ATOM 1179 O2P CYT A 44 38.646 67.943 22.904 1.00 0.00 SBOX ATOM 1180 O5' CYT A 44 40.513 66.477 23.519 1.00 0.00 SBOX O ATOM 1181 C5' CYT A 44 40.100 65.405 22.722 1.00 0.00 SBOX C ATOM 1182 H5' CYT A 44 40.374 65.533 21.674 1.00 0.00 SBOX ATOM 1183 H5'' CYT A 44 39.020 65.312 22.838 1.00 0.00 SBOX ATOM 1184 C4' CYT A 44 40.957 64.191 23.198 1.00 0.00 SBOX C ATOM 1185 H4' CYT A 44 40.612 63.409 22.522 1.00 0.00 SBOX ATOM 1186 O4' CYT A 44 42.366 64.411 23.117 1.00 0.00 SBOX O ATOM 1187 C1' CYT A 44 43.104 63.624 24.077 1.00 0.00 SBOX C ATOM 1188 H1' CYT A 44 43.865 62.983 23.631 1.00 0.00 SBOX ATOM 1189 N1 CYT A 44 43.750 64.441 25.140 1.00 0.00 SBOX N ATOM 1190 C6 CYT A 44 43.769 65.786 24.979 1.00 0.00 SBOX C ATOM 1191 H6 CYT A 44 42.951 66.289 24.486 1.00 0.00 SBOX ATOM 1192 C5 CYT A 44 44.508 66.580 25.760 1.00 0.00 SBOX C ATOM 1193 H5 CYT A 44 44.395 67.654 25.741 1.00 0.00 SBOX ATOM 1194 C4 CYT A 44 45.603 65.860 26.430 1.00 0.00 SBOX C ATOM 1195 N4 CYT A 44 46.540 66.487 26.966 1.00 0.00 SBOX N ATOM 1196 H41 CYT A 44 47.346 66.107 27.442 1.00 0.00 SBOX ATOM 1197 H42 CYT A 44 46.424 67.490 27.004 1.00 0.00 SBOX ATOM 1198 N3 CYT A 44 45.779 64.582 26.398 1.00 0.00 SBOX N ATOM 1199 C2 CYT A 44 44.824 63.841 25.820 1.00 0.00 SBOX C ATOM 1200 O2 CYT A 44 44.881 62.640 25.904 1.00 0.00 SBOX O ATOM 1201 C3' CYT A 44 40.740 63.659 24.672 1.00 0.00 SBOX C ATOM 1202 H3' CYT A 44 40.650 64.500 25.359 1.00 0.00 SBOX ATOM 1203 C2' CYT A 44 42.029 62.842 24.807 1.00 0.00 SBOX C ATOM 1204 H2'' CYT A 44 42.291 62.565 25.828 1.00 0.00 SBOX ATOM 1205 O2' CYT A 44 42.036 61.615 24.099 1.00 0.00 SBOX O ATOM 1206 H2' CYT A 44 42.774 61.089 24.417 1.00 0.00 SBOX ATOM 1207 O3' CYT A 44 39.535 62.978 24.557 1.00 0.00 SBOX O ATOM 1208 P ADE A 45 38.779 62.671 25.907 1.00 0.00 SBOX P ATOM 1209 O1P ADE A 45 38.501 64.062 26.380 1.00 0.00 SBOX ATOM 1210 O2P ADE A 45 37.696 61.688 25.620 1.00 0.00 SBOX ATOM 1211 O5' ADE A 45 39.717 61.909 26.986 1.00 0.00 SBOX O ATOM 1212 C5' ADE A 45 40.287 60.621 26.826 1.00 0.00 SBOX C ATOM 1213 H5' ADE A 45 40.798 60.555 25.865 1.00 0.00 SBOX ATOM 1214 H5'' ADE A 45 39.500 59.874 26.933 1.00 0.00 SBOX ATOM 1215 C4' ADE A 45 41.393 60.237 27.835 1.00 0.00 SBOX C ATOM 1216 H4' ADE A 45 41.740 59.248 27.539 1.00 0.00 SBOX ATOM 1217 O4' ADE A 45 42.566 61.035 27.774 1.00 0.00 SBOX O ATOM 1218 C1' ADE A 45 43.045 61.504 29.124 1.00 0.00 SBOX C ATOM 1219 H1' ADE A 45 44.091 61.250 29.292 1.00 0.00 SBOX ATOM 1220 N9 ADE A 45 42.800 62.980 29.315 1.00 0.00 SBOX N ATOM 1221 C8 ADE A 45 41.697 63.682 28.893 1.00 0.00 SBOX C ATOM 1222 H8 ADE A 45 40.837 63.163 28.495 1.00 0.00 SBOX ATOM 1223 N7 ADE A 45 41.886 64.977 28.813 1.00 0.00 SBOX N ATOM 1224 C5 ADE A 45 43.164 65.066 29.449 1.00 0.00 SBOX C ATOM 1225 C6 ADE A 45 44.077 66.101 29.534 1.00 0.00 SBOX C ATOM 1226 N6 ADE A 45 43.885 67.249 28.928 1.00 0.00 SBOX N ATOM 1227 H61 ADE A 45 44.662 67.823 28.635 1.00 0.00 SBOX ATOM 1228 H62 ADE A 45 42.982 67.344 28.485 1.00 0.00 SBOX ATOM 1229 N1 ADE A 45 45.318 66.044 29.996 1.00 0.00 SBOX N ATOM 1230 C2 ADE A 45 45.594 64.793 30.471 1.00 0.00 SBOX C ATOM 1231 H2 ADE A 45 46.504 64.741 31.050 1.00 0.00 SBOX ATOM 1232 N3 ADE A 45 44.809 63.688 30.474 1.00 0.00 SBOX N ATOM 1233 C4 ADE A 45 43.682 63.913 29.802 1.00 0.00 SBOX C ATOM 1234 C3' ADE A 45 40.864 60.286 29.276 1.00 0.00 SBOX C ATOM 1235 H3' ADE A 45 40.220 61.162 29.355 1.00 0.00 SBOX ATOM 1236 C2' ADE A 45 42.133 60.621 30.090 1.00 0.00 SBOX C ATOM 1237 H2'' ADE A 45 41.800 61.166 30.973 1.00 0.00 SBOX ATOM 1238 O2' ADE A 45 43.037 59.548 30.372 1.00 0.00 SBOX O ATOM 1239 H2' ADE A 45 43.768 59.797 30.942 1.00 0.00 SBOX ATOM 1240 O3' ADE A 45 40.271 59.011 29.632 1.00 0.00 SBOX O ATOM 1241 P ADE A 46 39.362 58.880 30.884 1.00 0.00 SBOX P ATOM 1242 O1P ADE A 46 38.333 59.946 30.710 1.00 0.00 SBOX ATOM 1243 O2P ADE A 46 38.854 57.471 31.149 1.00 0.00 SBOX ATOM 1244 O5' ADE A 46 40.176 59.267 32.235 1.00 0.00 SBOX O ATOM 1245 C5' ADE A 46 41.220 58.511 32.732 1.00 0.00 SBOX C ATOM 1246 H5' ADE A 46 41.897 58.240 31.922 1.00 0.00 SBOX ATOM 1247 H5'' ADE A 46 40.812 57.627 33.222 1.00 0.00 SBOX ATOM 1248 C4' ADE A 46 42.156 59.111 33.817 1.00 0.00 SBOX C ATOM 1249 H4' ADE A 46 42.865 58.283 33.847 1.00 0.00 SBOX ATOM 1250 O4' ADE A 46 42.755 60.292 33.301 1.00 0.00 SBOX O ATOM 1251 C1' ADE A 46 42.414 61.305 34.138 1.00 0.00 SBOX C ATOM 1252 H1' ADE A 46 43.273 61.827 34.558 1.00 0.00 SBOX ATOM 1253 N9 ADE A 46 41.631 62.335 33.447 1.00 0.00 SBOX N ATOM 1254 C8 ADE A 46 40.405 62.219 32.836 1.00 0.00 SBOX C ATOM 1255 H8 ADE A 46 39.851 61.293 32.836 1.00 0.00 SBOX ATOM 1256 N7 ADE A 46 40.053 63.305 32.215 1.00 0.00 SBOX N ATOM 1257 C5 ADE A 46 41.141 64.174 32.469 1.00 0.00 SBOX C ATOM 1258 C6 ADE A 46 41.490 65.472 32.056 1.00 0.00 SBOX C ATOM 1259 N6 ADE A 46 40.703 66.297 31.380 1.00 0.00 SBOX N ATOM 1260 H61 ADE A 46 41.035 67.178 31.011 1.00 0.00 SBOX ATOM 1261 H62 ADE A 46 39.849 65.877 31.043 1.00 0.00 SBOX ATOM 1262 N1 ADE A 46 42.652 66.027 32.334 1.00 0.00 SBOX N ATOM 1263 C2 ADE A 46 43.534 65.313 33.022 1.00 0.00 SBOX C ATOM 1264 H2 ADE A 46 44.508 65.745 33.195 1.00 0.00 SBOX ATOM 1265 N3 ADE A 46 43.384 64.052 33.489 1.00 0.00 SBOX N ATOM 1266 C4 ADE A 46 42.150 63.527 33.056 1.00 0.00 SBOX C ATOM 1267 C3' ADE A 46 41.505 59.323 35.114 1.00 0.00 SBOX C ATOM 1268 H3' ADE A 46 40.467 59.001 35.029 1.00 0.00 SBOX ATOM 1269 C2' ADE A 46 41.755 60.775 35.383 1.00 0.00 SBOX C ATOM 1270 H2'' ADE A 46 40.793 61.265 35.530 1.00 0.00 SBOX ATOM 1271 O2' ADE A 46 42.576 61.051 36.493 1.00 0.00 SBOX O ATOM 1272 H2' ADE A 46 42.624 60.239 37.003 1.00 0.00 SBOX ATOM 1273 O3' ADE A 46 41.933 58.600 36.273 1.00 0.00 SBOX O ATOM 1274 P CYT A 47 42.228 57.041 36.385 1.00 0.00 SBOX P ATOM 1275 O1P CYT A 47 41.641 56.576 37.656 1.00 0.00 SBOX ATOM 1276 O2P CYT A 47 41.831 56.283 35.176 1.00 0.00 SBOX ATOM 1277 O5' CYT A 47 43.846 57.082 36.444 1.00 0.00 SBOX O ATOM 1278 C5' CYT A 47 44.574 56.118 37.186 1.00 0.00 SBOX C ATOM 1279 H5' CYT A 47 44.442 55.152 36.698 1.00 0.00 SBOX ATOM 1280 H5'' CYT A 47 44.089 55.948 38.147 1.00 0.00 SBOX ATOM 1281 C4' CYT A 47 46.043 56.553 37.423 1.00 0.00 SBOX C ATOM 1282 H4' CYT A 47 46.612 55.702 37.795 1.00 0.00 SBOX ATOM 1283 O4' CYT A 47 46.756 57.123 36.259 1.00 0.00 SBOX O ATOM 1284 C1' CYT A 47 47.688 58.154 36.711 1.00 0.00 SBOX C ATOM 1285 H1' CYT A 47 48.727 57.987 36.431 1.00 0.00 SBOX ATOM 1286 N1 CYT A 47 47.319 59.545 36.211 1.00 0.00 SBOX N ATOM 1287 C6 CYT A 47 46.206 59.726 35.377 1.00 0.00 SBOX C ATOM 1288 H6 CYT A 47 45.532 58.895 35.232 1.00 0.00 SBOX ATOM 1289 C5 CYT A 47 45.980 60.849 34.726 1.00 0.00 SBOX C ATOM 1290 H5 CYT A 47 45.059 60.977 34.176 1.00 0.00 SBOX ATOM 1291 C4 CYT A 47 46.899 61.914 34.943 1.00 0.00 SBOX C ATOM 1292 N4 CYT A 47 46.795 63.048 34.383 1.00 0.00 SBOX N ATOM 1293 H41 CYT A 47 47.558 63.684 34.562 1.00 0.00 SBOX ATOM 1294 H42 CYT A 47 45.887 63.326 34.039 1.00 0.00 SBOX ATOM 1295 N3 CYT A 47 48.030 61.820 35.575 1.00 0.00 SBOX N ATOM 1296 C2 CYT A 47 48.257 60.662 36.241 1.00 0.00 SBOX C ATOM 1297 O2 CYT A 47 49.284 60.455 36.793 1.00 0.00 SBOX O ATOM 1298 C3' CYT A 47 46.122 57.661 38.550 1.00 0.00 SBOX C ATOM 1299 H3' CYT A 47 45.437 58.490 38.377 1.00 0.00 SBOX ATOM 1300 C2' CYT A 47 47.524 58.107 38.286 1.00 0.00 SBOX C ATOM 1301 H2'' CYT A 47 47.780 59.088 38.685 1.00 0.00 SBOX ATOM 1302 O2' CYT A 47 48.534 57.169 38.722 1.00 0.00 SBOX O ATOM 1303 H2' CYT A 47 49.349 57.633 38.516 1.00 0.00 SBOX ATOM 1304 O3' CYT A 47 45.803 57.080 39.798 1.00 0.00 SBOX O ATOM 1305 P CYT A 48 45.543 57.882 41.094 1.00 0.00 SBOX P ATOM 1306 O1P CYT A 48 44.300 58.685 40.933 1.00 0.00 SBOX ATOM 1307 O2P CYT A 48 45.569 56.824 42.146 1.00 0.00 SBOX ATOM 1308 O5' CYT A 48 46.740 58.953 41.260 1.00 0.00 SBOX O ATOM 1309 C5' CYT A 48 47.968 58.527 41.816 1.00 0.00 SBOX C ATOM 1310 H5' CYT A 48 48.486 57.792 41.199 1.00 0.00 SBOX ATOM 1311 H5'' CYT A 48 47.825 58.005 42.763 1.00 0.00 SBOX ATOM 1312 C4' CYT A 48 48.886 59.775 41.999 1.00 0.00 SBOX C ATOM 1313 H4' CYT A 48 49.860 59.396 42.308 1.00 0.00 SBOX ATOM 1314 O4' CYT A 48 49.142 60.346 40.739 1.00 0.00 SBOX O ATOM 1315 C1' CYT A 48 49.261 61.737 40.829 1.00 0.00 SBOX C ATOM 1316 H1' CYT A 48 50.197 62.002 40.337 1.00 0.00 SBOX ATOM 1317 N1 CYT A 48 48.202 62.484 40.060 1.00 0.00 SBOX N ATOM 1318 C6 CYT A 48 47.028 61.893 39.583 1.00 0.00 SBOX C ATOM 1319 H6 CYT A 48 46.782 60.906 39.947 1.00 0.00 SBOX ATOM 1320 C5 CYT A 48 46.254 62.508 38.643 1.00 0.00 SBOX C ATOM 1321 H5 CYT A 48 45.396 61.995 38.235 1.00 0.00 SBOX ATOM 1322 C4 CYT A 48 46.647 63.839 38.240 1.00 0.00 SBOX C ATOM 1323 N4 CYT A 48 46.234 64.340 37.124 1.00 0.00 SBOX N ATOM 1324 H41 CYT A 48 46.782 65.084 36.716 1.00 0.00 SBOX ATOM 1325 H42 CYT A 48 45.400 63.945 36.712 1.00 0.00 SBOX ATOM 1326 N3 CYT A 48 47.717 64.365 38.775 1.00 0.00 SBOX N ATOM 1327 C2 CYT A 48 48.505 63.756 39.656 1.00 0.00 SBOX C ATOM 1328 O2 CYT A 48 49.444 64.390 40.124 1.00 0.00 SBOX O ATOM 1329 C3' CYT A 48 48.299 60.886 42.871 1.00 0.00 SBOX C ATOM 1330 H3' CYT A 48 47.248 61.077 42.654 1.00 0.00 SBOX ATOM 1331 C2' CYT A 48 49.236 62.042 42.313 1.00 0.00 SBOX C ATOM 1332 H2'' CYT A 48 48.783 63.026 42.440 1.00 0.00 SBOX ATOM 1333 O2' CYT A 48 50.575 62.067 42.831 1.00 0.00 SBOX O ATOM 1334 H2' CYT A 48 50.903 62.957 42.684 1.00 0.00 SBOX ATOM 1335 O3' CYT A 48 48.581 60.661 44.270 1.00 0.00 SBOX O ATOM 1336 P ADE A 49 47.834 61.545 45.297 1.00 0.00 SBOX P ATOM 1337 O1P ADE A 49 46.413 61.482 44.888 1.00 0.00 SBOX ATOM 1338 O2P ADE A 49 48.212 61.096 46.626 1.00 0.00 SBOX ATOM 1339 O5' ADE A 49 48.194 63.008 45.204 1.00 0.00 SBOX O ATOM 1340 C5' ADE A 49 49.420 63.510 45.685 1.00 0.00 SBOX C ATOM 1341 H5' ADE A 49 50.222 62.999 45.152 1.00 0.00 SBOX ATOM 1342 H5'' ADE A 49 49.521 63.379 46.763 1.00 0.00 SBOX ATOM 1343 C4' ADE A 49 49.650 65.021 45.330 1.00 0.00 SBOX C ATOM 1344 H4' ADE A 49 50.581 65.369 45.777 1.00 0.00 SBOX ATOM 1345 O4' ADE A 49 49.628 65.171 43.945 1.00 0.00 SBOX O ATOM 1346 C1' ADE A 49 48.916 66.374 43.564 1.00 0.00 SBOX C ATOM 1347 H1' ADE A 49 49.547 67.028 42.961 1.00 0.00 SBOX ATOM 1348 N9 ADE A 49 47.672 66.090 42.789 1.00 0.00 SBOX N ATOM 1349 C8 ADE A 49 46.915 64.928 42.751 1.00 0.00 SBOX C ATOM 1350 H8 ADE A 49 47.124 64.058 43.356 1.00 0.00 SBOX ATOM 1351 N7 ADE A 49 46.093 64.902 41.747 1.00 0.00 SBOX N ATOM 1352 C5 ADE A 49 46.075 66.256 41.213 1.00 0.00 SBOX C ATOM 1353 C6 ADE A 49 45.403 67.034 40.253 1.00 0.00 SBOX C ATOM 1354 N6 ADE A 49 44.466 66.731 39.340 1.00 0.00 SBOX N ATOM 1355 H61 ADE A 49 44.291 67.471 38.675 1.00 0.00 SBOX ATOM 1356 H62 ADE A 49 44.108 65.787 39.322 1.00 0.00 SBOX ATOM 1357 N1 ADE A 49 45.654 68.305 40.158 1.00 0.00 SBOX N ATOM 1358 C2 ADE A 49 46.513 68.921 40.900 1.00 0.00 SBOX C ATOM 1359 H2 ADE A 49 46.639 69.982 40.742 1.00 0.00 SBOX ATOM 1360 N3 ADE A 49 47.297 68.336 41.785 1.00 0.00 SBOX N ATOM 1361 C4 ADE A 49 46.999 66.959 41.906 1.00 0.00 SBOX C ATOM 1362 C3' ADE A 49 48.567 65.997 45.875 1.00 0.00 SBOX C ATOM 1363 H3' ADE A 49 47.636 65.455 45.706 1.00 0.00 SBOX ATOM 1364 C2' ADE A 49 48.609 67.162 44.844 1.00 0.00 SBOX C ATOM 1365 H2'' ADE A 49 47.629 67.632 44.766 1.00 0.00 SBOX ATOM 1366 O2' ADE A 49 49.573 68.201 44.876 1.00 0.00 SBOX O ATOM 1367 H2' ADE A 49 49.405 68.733 45.657 1.00 0.00 SBOX ATOM 1368 O3' ADE A 49 48.868 66.342 47.171 1.00 0.00 SBOX O ATOM 1369 P GUA A 50 47.753 66.971 48.095 1.00 0.00 SBOX P ATOM 1370 O1P GUA A 50 46.917 65.866 48.619 1.00 0.00 SBOX ATOM 1371 O2P GUA A 50 48.450 67.779 49.048 1.00 0.00 SBOX ATOM 1372 O5' GUA A 50 47.002 67.976 47.193 1.00 0.00 SBOX O ATOM 1373 C5' GUA A 50 45.656 67.704 46.722 1.00 0.00 SBOX C ATOM 1374 H5' GUA A 50 44.978 67.534 47.558 1.00 0.00 SBOX ATOM 1375 H5'' GUA A 50 45.451 66.880 46.039 1.00 0.00 SBOX ATOM 1376 C4' GUA A 50 45.232 68.946 45.959 1.00 0.00 SBOX C ATOM 1377 H4' GUA A 50 45.785 69.804 46.343 1.00 0.00 SBOX ATOM 1378 O4' GUA A 50 45.502 68.744 44.596 1.00 0.00 SBOX O ATOM 1379 C1' GUA A 50 44.542 69.408 43.884 1.00 0.00 SBOX C ATOM 1380 H1' GUA A 50 44.983 70.268 43.380 1.00 0.00 SBOX ATOM 1381 N9 GUA A 50 43.741 68.452 43.049 1.00 0.00 SBOX N ATOM 1382 C8 GUA A 50 43.613 67.043 43.296 1.00 0.00 SBOX C ATOM 1383 H8 GUA A 50 44.198 66.492 44.017 1.00 0.00 SBOX ATOM 1384 N7 GUA A 50 42.777 66.438 42.560 1.00 0.00 SBOX N ATOM 1385 C5 GUA A 50 42.287 67.425 41.650 1.00 0.00 SBOX C ATOM 1386 C6 GUA A 50 41.456 67.413 40.490 1.00 0.00 SBOX C ATOM 1387 O6 GUA A 50 40.883 66.482 39.933 1.00 0.00 SBOX O ATOM 1388 N1 GUA A 50 41.258 68.657 40.018 1.00 0.00 SBOX N ATOM 1389 H1 GUA A 50 40.893 68.675 39.076 1.00 0.00 SBOX ATOM 1390 C2 GUA A 50 41.883 69.747 40.382 1.00 0.00 SBOX C ATOM 1391 N2 GUA A 50 41.502 70.867 39.821 1.00 0.00 SBOX N ATOM 1392 H21 GUA A 50 40.656 70.721 39.289 1.00 0.00 SBOX ATOM 1393 H22 GUA A 50 41.891 71.756 40.103 1.00 0.00 SBOX ATOM 1394 N3 GUA A 50 42.616 69.879 41.456 1.00 0.00 SBOX N ATOM 1395 C4 GUA A 50 42.861 68.639 41.991 1.00 0.00 SBOX C ATOM 1396 C3' GUA A 50 43.713 69.230 46.042 1.00 0.00 SBOX C ATOM 1397 H3' GUA A 50 43.181 68.290 45.897 1.00 0.00 SBOX ATOM 1398 C2' GUA A 50 43.512 70.088 44.787 1.00 0.00 SBOX C ATOM 1399 H2'' GUA A 50 42.502 70.020 44.383 1.00 0.00 SBOX ATOM 1400 O2' GUA A 50 43.888 71.460 45.060 1.00 0.00 SBOX O ATOM 1401 H2' GUA A 50 43.078 71.959 44.931 1.00 0.00 SBOX ATOM 1402 O3' GUA A 50 43.291 69.897 47.274 1.00 0.00 SBOX O ATOM 1403 P ADE A 51 42.309 69.192 48.218 1.00 0.00 SBOX P ATOM 1404 O1P ADE A 51 42.682 67.765 48.398 1.00 0.00 SBOX ATOM 1405 O2P ADE A 51 42.327 70.057 49.406 1.00 0.00 SBOX ATOM 1406 O5' ADE A 51 40.883 69.319 47.449 1.00 0.00 SBOX O ATOM 1407 C5' ADE A 51 40.005 68.237 47.432 1.00 0.00 SBOX C ATOM 1408 H5' ADE A 51 39.942 67.716 48.388 1.00 0.00 SBOX ATOM 1409 H5'' ADE A 51 40.302 67.575 46.618 1.00 0.00 SBOX ATOM 1410 C4' ADE A 51 38.596 68.683 47.073 1.00 0.00 SBOX C ATOM 1411 H4' ADE A 51 37.959 67.805 46.963 1.00 0.00 SBOX ATOM 1412 O4' ADE A 51 38.064 69.316 48.262 1.00 0.00 SBOX O ATOM 1413 C1' ADE A 51 37.569 70.582 47.859 1.00 0.00 SBOX C ATOM 1414 H1' ADE A 51 36.592 70.766 48.306 1.00 0.00 SBOX ATOM 1415 N9 ADE A 51 38.478 71.669 48.108 1.00 0.00 SBOX N ATOM 1416 C8 ADE A 51 39.680 71.676 48.743 1.00 0.00 SBOX C ATOM 1417 H8 ADE A 51 40.015 70.823 49.314 1.00 0.00 SBOX ATOM 1418 N7 ADE A 51 40.370 72.806 48.821 1.00 0.00 SBOX N ATOM 1419 C5 ADE A 51 39.463 73.670 48.234 1.00 0.00 SBOX C ATOM 1420 C6 ADE A 51 39.417 75.102 48.101 1.00 0.00 SBOX C ATOM 1421 N6 ADE A 51 40.374 75.973 48.354 1.00 0.00 SBOX N ATOM 1422 H61 ADE A 51 40.347 76.921 48.007 1.00 0.00 SBOX ATOM 1423 H62 ADE A 51 41.236 75.651 48.771 1.00 0.00 SBOX ATOM 1424 N1 ADE A 51 38.339 75.691 47.548 1.00 0.00 SBOX N ATOM 1425 C2 ADE A 51 37.369 74.920 47.073 1.00 0.00 SBOX C ATOM 1426 H2 ADE A 51 36.474 75.336 46.633 1.00 0.00 SBOX ATOM 1427 N3 ADE A 51 37.285 73.584 47.084 1.00 0.00 SBOX N ATOM 1428 C4 ADE A 51 38.393 72.957 47.708 1.00 0.00 SBOX C ATOM 1429 C3' ADE A 51 38.384 69.600 45.787 1.00 0.00 SBOX C ATOM 1430 H3' ADE A 51 39.252 70.229 45.586 1.00 0.00 SBOX ATOM 1431 C2' ADE A 51 37.256 70.478 46.326 1.00 0.00 SBOX C ATOM 1432 H2'' ADE A 51 37.319 71.455 45.846 1.00 0.00 SBOX ATOM 1433 O2' ADE A 51 35.895 70.017 46.115 1.00 0.00 SBOX O ATOM 1434 H2' ADE A 51 35.801 69.733 45.203 1.00 0.00 SBOX ATOM 1435 O3' ADE A 51 37.897 68.809 44.714 1.00 0.00 SBOX O ATOM 1436 P ADE A 52 38.869 68.082 43.749 1.00 0.00 SBOX P ATOM 1437 O1P ADE A 52 40.275 68.493 43.994 1.00 0.00 SBOX ATOM 1438 O2P ADE A 52 38.483 66.678 43.817 1.00 0.00 SBOX ATOM 1439 O5' ADE A 52 38.380 68.670 42.370 1.00 0.00 SBOX O ATOM 1440 C5' ADE A 52 38.864 69.939 41.926 1.00 0.00 SBOX C ATOM 1441 H5' ADE A 52 38.871 69.809 40.844 1.00 0.00 SBOX ATOM 1442 H5'' ADE A 52 39.866 70.172 42.285 1.00 0.00 SBOX ATOM 1443 C4' ADE A 52 37.959 71.068 42.272 1.00 0.00 SBOX C ATOM 1444 H4' ADE A 52 36.969 70.622 42.362 1.00 0.00 SBOX ATOM 1445 O4' ADE A 52 38.247 71.628 43.498 1.00 0.00 SBOX O ATOM 1446 C1' ADE A 52 38.408 73.019 43.348 1.00 0.00 SBOX C ATOM 1447 H1' ADE A 52 37.719 73.417 44.093 1.00 0.00 SBOX ATOM 1448 N9 ADE A 52 39.787 73.376 43.732 1.00 0.00 SBOX N ATOM 1449 C8 ADE A 52 40.920 72.575 43.943 1.00 0.00 SBOX C ATOM 1450 H8 ADE A 52 40.892 71.519 43.722 1.00 0.00 SBOX ATOM 1451 N7 ADE A 52 41.838 73.164 44.641 1.00 0.00 SBOX N ATOM 1452 C5 ADE A 52 41.439 74.498 44.683 1.00 0.00 SBOX C ATOM 1453 C6 ADE A 52 41.927 75.741 45.177 1.00 0.00 SBOX C ATOM 1454 N6 ADE A 52 43.020 75.966 45.844 1.00 0.00 SBOX N ATOM 1455 H61 ADE A 52 43.023 76.907 46.211 1.00 0.00 SBOX ATOM 1456 H62 ADE A 52 43.694 75.231 46.003 1.00 0.00 SBOX ATOM 1457 N1 ADE A 52 41.145 76.819 45.271 1.00 0.00 SBOX N ATOM 1458 C2 ADE A 52 39.914 76.763 44.791 1.00 0.00 SBOX C ATOM 1459 H2 ADE A 52 39.415 77.721 44.796 1.00 0.00 SBOX ATOM 1460 N3 ADE A 52 39.302 75.743 44.181 1.00 0.00 SBOX N ATOM 1461 C4 ADE A 52 40.144 74.632 44.202 1.00 0.00 SBOX C ATOM 1462 C3' ADE A 52 38.052 72.110 41.209 1.00 0.00 SBOX C ATOM 1463 H3' ADE A 52 39.109 72.143 40.943 1.00 0.00 SBOX ATOM 1464 C2' ADE A 52 37.887 73.325 42.059 1.00 0.00 SBOX C ATOM 1465 H2'' ADE A 52 38.344 74.224 41.647 1.00 0.00 SBOX ATOM 1466 O2' ADE A 52 36.473 73.629 42.149 1.00 0.00 SBOX O ATOM 1467 H2' ADE A 52 35.970 73.218 41.443 1.00 0.00 SBOX ATOM 1468 O3' ADE A 52 37.172 71.988 40.093 1.00 0.00 SBOX O ATOM 1469 P ADE A 53 37.866 71.961 38.707 1.00 0.00 SBOX P ATOM 1470 O1P ADE A 53 38.835 70.848 38.740 1.00 0.00 SBOX ATOM 1471 O2P ADE A 53 36.828 72.023 37.640 1.00 0.00 SBOX ATOM 1472 O5' ADE A 53 38.791 73.275 38.708 1.00 0.00 SBOX O ATOM 1473 C5' ADE A 53 38.176 74.514 38.336 1.00 0.00 SBOX C ATOM 1474 H5' ADE A 53 37.115 74.559 38.580 1.00 0.00 SBOX ATOM 1475 H5'' ADE A 53 38.258 74.524 37.249 1.00 0.00 SBOX ATOM 1476 C4' ADE A 53 38.858 75.849 38.767 1.00 0.00 SBOX C ATOM 1477 H4' ADE A 53 38.277 76.667 38.341 1.00 0.00 SBOX ATOM 1478 O4' ADE A 53 39.043 75.942 40.200 1.00 0.00 SBOX O ATOM 1479 C1' ADE A 53 40.386 76.446 40.427 1.00 0.00 SBOX C ATOM 1480 H1' ADE A 53 40.313 77.308 41.089 1.00 0.00 SBOX ATOM 1481 N9 ADE A 53 41.301 75.360 40.848 1.00 0.00 SBOX N ATOM 1482 C8 ADE A 53 41.265 74.010 40.538 1.00 0.00 SBOX C ATOM 1483 H8 ADE A 53 40.533 73.618 39.848 1.00 0.00 SBOX ATOM 1484 N7 ADE A 53 42.233 73.334 41.021 1.00 0.00 SBOX N ATOM 1485 C5 ADE A 53 43.019 74.288 41.677 1.00 0.00 SBOX C ATOM 1486 C6 ADE A 53 44.278 74.381 42.317 1.00 0.00 SBOX C ATOM 1487 N6 ADE A 53 45.135 73.423 42.498 1.00 0.00 SBOX N ATOM 1488 H61 ADE A 53 45.928 73.828 42.975 1.00 0.00 SBOX ATOM 1489 H62 ADE A 53 44.973 72.472 42.199 1.00 0.00 SBOX ATOM 1490 N1 ADE A 53 44.767 75.489 42.884 1.00 0.00 SBOX N ATOM 1491 C2 ADE A 53 44.214 76.599 42.484 1.00 0.00 SBOX C ATOM 1492 H2 ADE A 53 44.737 77.506 42.750 1.00 0.00 SBOX ATOM 1493 N3 ADE A 53 43.020 76.714 41.927 1.00 0.00 SBOX N ATOM 1494 C4 ADE A 53 42.408 75.539 41.572 1.00 0.00 SBOX C ATOM 1495 C3' ADE A 53 40.209 76.052 38.155 1.00 0.00 SBOX C ATOM 1496 H3' ADE A 53 40.846 75.168 38.197 1.00 0.00 SBOX ATOM 1497 C2' ADE A 53 40.844 77.016 39.102 1.00 0.00 SBOX C ATOM 1498 H2'' ADE A 53 41.916 76.890 38.955 1.00 0.00 SBOX ATOM 1499 O2' ADE A 53 40.639 78.463 39.156 1.00 0.00 SBOX O ATOM 1500 H2' ADE A 53 40.776 78.820 38.276 1.00 0.00 SBOX ATOM 1501 O3' ADE A 53 40.407 76.610 36.854 1.00 0.00 SBOX O ATOM 1502 P URA A 54 41.046 75.823 35.684 1.00 0.00 SBOX P ATOM 1503 O1P URA A 54 40.300 74.521 35.442 1.00 0.00 SBOX ATOM 1504 O2P URA A 54 41.075 76.833 34.554 1.00 0.00 SBOX ATOM 1505 O5' URA A 54 42.532 75.588 36.055 1.00 0.00 SBOX O ATOM 1506 C5' URA A 54 43.427 76.681 36.286 1.00 0.00 SBOX C ATOM 1507 H5' URA A 54 42.939 77.492 36.826 1.00 0.00 SBOX ATOM 1508 H5'' URA A 54 43.850 77.043 35.349 1.00 0.00 SBOX ATOM 1509 C4' URA A 54 44.484 76.128 37.175 1.00 0.00 SBOX C ATOM 1510 H4' URA A 54 44.918 76.983 37.693 1.00 0.00 SBOX ATOM 1511 O4' URA A 54 44.053 75.215 38.167 1.00 0.00 SBOX O ATOM 1512 C1' URA A 54 44.988 74.266 38.454 1.00 0.00 SBOX C ATOM 1513 H1' URA A 54 45.307 74.342 39.494 1.00 0.00 SBOX ATOM 1514 N1 URA A 54 44.454 72.872 38.285 1.00 0.00 SBOX N ATOM 1515 C6 URA A 54 43.631 72.638 37.271 1.00 0.00 SBOX C ATOM 1516 H6 URA A 54 43.213 73.481 36.742 1.00 0.00 SBOX ATOM 1517 C5 URA A 54 43.369 71.322 36.923 1.00 0.00 SBOX C ATOM 1518 H5 URA A 54 42.618 71.052 36.195 1.00 0.00 SBOX ATOM 1519 C4 URA A 54 43.963 70.288 37.638 1.00 0.00 SBOX C ATOM 1520 O4 URA A 54 43.597 69.202 37.409 1.00 0.00 SBOX O ATOM 1521 N3 URA A 54 44.769 70.577 38.673 1.00 0.00 SBOX N ATOM 1522 H3 URA A 54 45.158 69.771 39.141 1.00 0.00 SBOX ATOM 1523 C2 URA A 54 45.130 71.900 39.007 1.00 0.00 SBOX C ATOM 1524 O2 URA A 54 45.961 72.153 39.911 1.00 0.00 SBOX O ATOM 1525 C3' URA A 54 45.633 75.427 36.445 1.00 0.00 SBOX C ATOM 1526 H3' URA A 54 45.192 74.714 35.748 1.00 0.00 SBOX ATOM 1527 C2' URA A 54 46.226 74.734 37.638 1.00 0.00 SBOX C ATOM 1528 H2'' URA A 54 46.812 73.907 37.237 1.00 0.00 SBOX ATOM 1529 O2' URA A 54 47.015 75.570 38.469 1.00 0.00 SBOX O ATOM 1530 H2' URA A 54 47.870 75.755 38.075 1.00 0.00 SBOX ATOM 1531 O3' URA A 54 46.595 76.313 35.888 1.00 0.00 SBOX O ATOM 1532 P GUA A 55 47.740 75.722 34.985 1.00 0.00 SBOX P ATOM 1533 O1P GUA A 55 47.103 74.898 33.934 1.00 0.00 SBOX ATOM 1534 O2P GUA A 55 48.551 76.886 34.591 1.00 0.00 SBOX ATOM 1535 O5' GUA A 55 48.665 74.770 35.912 1.00 0.00 SBOX O ATOM 1536 C5' GUA A 55 49.933 75.178 36.422 1.00 0.00 SBOX C ATOM 1537 H5' GUA A 55 49.598 76.069 36.954 1.00 0.00 SBOX ATOM 1538 H5'' GUA A 55 50.718 75.426 35.708 1.00 0.00 SBOX ATOM 1539 C4' GUA A 55 50.456 74.169 37.527 1.00 0.00 SBOX C ATOM 1540 H4' GUA A 55 51.126 74.666 38.227 1.00 0.00 SBOX ATOM 1541 O4' GUA A 55 49.406 73.505 38.328 1.00 0.00 SBOX O ATOM 1542 C1' GUA A 55 49.780 72.133 38.606 1.00 0.00 SBOX C ATOM 1543 H1' GUA A 55 49.851 71.933 39.676 1.00 0.00 SBOX ATOM 1544 N9 GUA A 55 48.837 71.152 38.066 1.00 0.00 SBOX N ATOM 1545 C8 GUA A 55 48.004 71.228 36.995 1.00 0.00 SBOX C ATOM 1546 H8 GUA A 55 47.929 72.103 36.367 1.00 0.00 SBOX ATOM 1547 N7 GUA A 55 47.327 70.183 36.670 1.00 0.00 SBOX N ATOM 1548 C5 GUA A 55 47.829 69.247 37.473 1.00 0.00 SBOX C ATOM 1549 C6 GUA A 55 47.631 67.853 37.558 1.00 0.00 SBOX C ATOM 1550 O6 GUA A 55 46.783 67.105 37.007 1.00 0.00 SBOX O ATOM 1551 N1 GUA A 55 48.428 67.239 38.410 1.00 0.00 SBOX N ATOM 1552 H1 GUA A 55 48.363 66.237 38.522 1.00 0.00 SBOX ATOM 1553 C2 GUA A 55 49.143 67.880 39.327 1.00 0.00 SBOX C ATOM 1554 N2 GUA A 55 49.807 67.146 40.158 1.00 0.00 SBOX N ATOM 1555 H21 GUA A 55 49.749 66.139 40.119 1.00 0.00 SBOX ATOM 1556 H22 GUA A 55 50.571 67.592 40.646 1.00 0.00 SBOX ATOM 1557 N3 GUA A 55 49.376 69.185 39.405 1.00 0.00 SBOX N ATOM 1558 C4 GUA A 55 48.704 69.844 38.381 1.00 0.00 SBOX C ATOM 1559 C3' GUA A 55 51.139 73.030 36.875 1.00 0.00 SBOX C ATOM 1560 H3' GUA A 55 50.546 72.651 36.043 1.00 0.00 SBOX ATOM 1561 C2' GUA A 55 51.218 71.996 38.063 1.00 0.00 SBOX C ATOM 1562 H2'' GUA A 55 51.325 71.013 37.605 1.00 0.00 SBOX ATOM 1563 O2' GUA A 55 52.127 72.305 39.120 1.00 0.00 SBOX O ATOM 1564 H2' GUA A 55 51.947 71.599 39.745 1.00 0.00 SBOX ATOM 1565 O3' GUA A 55 52.361 73.499 36.309 1.00 0.00 SBOX O ATOM 1566 P GUA A 56 53.150 72.610 35.279 1.00 0.00 SBOX P ATOM 1567 O1P GUA A 56 52.205 72.318 34.135 1.00 0.00 SBOX ATOM 1568 O2P GUA A 56 54.458 73.229 34.980 1.00 0.00 SBOX ATOM 1569 O5' GUA A 56 53.276 71.138 35.977 1.00 0.00 SBOX O ATOM 1570 C5' GUA A 56 54.330 70.825 36.913 1.00 0.00 SBOX C ATOM 1571 H5' GUA A 56 54.258 71.576 37.700 1.00 0.00 SBOX ATOM 1572 H5'' GUA A 56 55.247 71.030 36.361 1.00 0.00 SBOX ATOM 1573 C4' GUA A 56 54.391 69.414 37.569 1.00 0.00 SBOX C ATOM 1574 H4' GUA A 56 55.219 69.444 38.279 1.00 0.00 SBOX ATOM 1575 O4' GUA A 56 53.160 69.084 38.246 1.00 0.00 SBOX O ATOM 1576 C1' GUA A 56 52.948 67.673 38.073 1.00 0.00 SBOX C ATOM 1577 H1' GUA A 56 52.565 67.209 38.982 1.00 0.00 SBOX ATOM 1578 N9 GUA A 56 51.885 67.451 37.055 1.00 0.00 SBOX N ATOM 1579 C8 GUA A 56 51.239 68.348 36.219 1.00 0.00 SBOX C ATOM 1580 H8 GUA A 56 51.588 69.370 36.188 1.00 0.00 SBOX ATOM 1581 N7 GUA A 56 50.243 67.887 35.497 1.00 0.00 SBOX N ATOM 1582 C5 GUA A 56 50.242 66.564 35.917 1.00 0.00 SBOX C ATOM 1583 C6 GUA A 56 49.418 65.458 35.609 1.00 0.00 SBOX C ATOM 1584 O6 GUA A 56 48.464 65.405 34.852 1.00 0.00 SBOX O ATOM 1585 N1 GUA A 56 49.736 64.221 36.067 1.00 0.00 SBOX N ATOM 1586 H1 GUA A 56 49.265 63.460 35.598 1.00 0.00 SBOX ATOM 1587 C2 GUA A 56 50.730 64.000 36.892 1.00 0.00 SBOX C ATOM 1588 N2 GUA A 56 50.890 62.818 37.343 1.00 0.00 SBOX N ATOM 1589 H21 GUA A 56 50.369 62.030 36.986 1.00 0.00 SBOX ATOM 1590 H22 GUA A 56 51.698 62.723 37.941 1.00 0.00 SBOX ATOM 1591 N3 GUA A 56 51.514 64.971 37.371 1.00 0.00 SBOX N ATOM 1592 C4 GUA A 56 51.292 66.221 36.825 1.00 0.00 SBOX C ATOM 1593 C3' GUA A 56 54.693 68.289 36.536 1.00 0.00 SBOX C ATOM 1594 H3' GUA A 56 53.984 68.365 35.711 1.00 0.00 SBOX ATOM 1595 C2' GUA A 56 54.257 67.160 37.491 1.00 0.00 SBOX C ATOM 1596 H2'' GUA A 56 54.064 66.243 36.934 1.00 0.00 SBOX ATOM 1597 O2' GUA A 56 55.139 66.866 38.496 1.00 0.00 SBOX O ATOM 1598 H2' GUA A 56 55.142 65.927 38.694 1.00 0.00 SBOX ATOM 1599 O3' GUA A 56 56.053 68.071 36.088 1.00 0.00 SBOX O ATOM 1600 P URA A 57 56.563 68.521 34.623 1.00 0.00 SBOX P ATOM 1601 O1P URA A 57 56.473 70.020 34.526 1.00 0.00 SBOX ATOM 1602 O2P URA A 57 57.909 67.841 34.508 1.00 0.00 SBOX ATOM 1603 O5' URA A 57 55.397 67.803 33.708 1.00 0.00 SBOX O ATOM 1604 C5' URA A 57 55.558 66.622 32.908 1.00 0.00 SBOX C ATOM 1605 H5' URA A 57 56.524 66.615 32.403 1.00 0.00 SBOX ATOM 1606 H5'' URA A 57 54.778 66.592 32.147 1.00 0.00 SBOX ATOM 1607 C4' URA A 57 55.375 65.287 33.668 1.00 0.00 SBOX C ATOM 1608 H4' URA A 57 56.121 65.177 34.455 1.00 0.00 SBOX ATOM 1609 O4' URA A 57 54.111 65.164 34.320 1.00 0.00 SBOX O ATOM 1610 C1' URA A 57 53.566 63.888 34.137 1.00 0.00 SBOX C ATOM 1611 H1' URA A 57 53.297 63.452 35.098 1.00 0.00 SBOX ATOM 1612 N1 URA A 57 52.358 63.824 33.244 1.00 0.00 SBOX N ATOM 1613 C6 URA A 57 51.877 64.950 32.637 1.00 0.00 SBOX C ATOM 1614 H6 URA A 57 52.449 65.862 32.549 1.00 0.00 SBOX ATOM 1615 C5 URA A 57 50.614 64.934 32.018 1.00 0.00 SBOX C ATOM 1616 H5 URA A 57 50.228 65.830 31.556 1.00 0.00 SBOX ATOM 1617 C4 URA A 57 49.772 63.806 32.060 1.00 0.00 SBOX C ATOM 1618 O4 URA A 57 48.737 63.721 31.439 1.00 0.00 SBOX O ATOM 1619 N3 URA A 57 50.275 62.747 32.716 1.00 0.00 SBOX N ATOM 1620 H3 URA A 57 49.662 61.957 32.858 1.00 0.00 SBOX ATOM 1621 C2 URA A 57 51.513 62.666 33.272 1.00 0.00 SBOX C ATOM 1622 O2 URA A 57 51.828 61.680 33.844 1.00 0.00 SBOX O ATOM 1623 C3' URA A 57 55.451 64.072 32.679 1.00 0.00 SBOX C ATOM 1624 H3' URA A 57 54.803 64.375 31.856 1.00 0.00 SBOX ATOM 1625 C2' URA A 57 54.689 63.007 33.481 1.00 0.00 SBOX C ATOM 1626 H2'' URA A 57 54.113 62.304 32.879 1.00 0.00 SBOX ATOM 1627 O2' URA A 57 55.307 62.282 34.588 1.00 0.00 SBOX O ATOM 1628 H2' URA A 57 55.585 61.471 34.158 1.00 0.00 SBOX ATOM 1629 O3' URA A 57 56.756 63.714 32.156 1.00 0.00 SBOX O ATOM 1630 P GUA A 58 56.874 63.512 30.574 1.00 0.00 SBOX P ATOM 1631 O1P GUA A 58 56.753 64.886 29.955 1.00 0.00 SBOX ATOM 1632 O2P GUA A 58 58.088 62.733 30.383 1.00 0.00 SBOX ATOM 1633 O5' GUA A 58 55.681 62.651 30.099 1.00 0.00 SBOX O ATOM 1634 C5' GUA A 58 55.464 61.333 30.613 1.00 0.00 SBOX C ATOM 1635 H5' GUA A 58 55.705 61.277 31.675 1.00 0.00 SBOX ATOM 1636 H5'' GUA A 58 56.332 60.737 30.328 1.00 0.00 SBOX ATOM 1637 C4' GUA A 58 54.134 60.565 30.374 1.00 0.00 SBOX C ATOM 1638 H4' GUA A 58 54.316 59.558 30.750 1.00 0.00 SBOX ATOM 1639 O4' GUA A 58 53.051 61.159 30.961 1.00 0.00 SBOX O ATOM 1640 C1' GUA A 58 51.891 60.927 30.148 1.00 0.00 SBOX C ATOM 1641 H1' GUA A 58 51.094 60.471 30.736 1.00 0.00 SBOX ATOM 1642 N9 GUA A 58 51.544 62.229 29.637 1.00 0.00 SBOX N ATOM 1643 C8 GUA A 58 52.277 63.325 29.523 1.00 0.00 SBOX C ATOM 1644 H8 GUA A 58 53.329 63.354 29.767 1.00 0.00 SBOX ATOM 1645 N7 GUA A 58 51.629 64.383 29.093 1.00 0.00 SBOX N ATOM 1646 C5 GUA A 58 50.329 63.950 28.834 1.00 0.00 SBOX C ATOM 1647 C6 GUA A 58 49.152 64.629 28.248 1.00 0.00 SBOX C ATOM 1648 O6 GUA A 58 48.985 65.827 27.939 1.00 0.00 SBOX O ATOM 1649 N1 GUA A 58 48.111 63.776 28.000 1.00 0.00 SBOX N ATOM 1650 H1 GUA A 58 47.237 64.233 27.786 1.00 0.00 SBOX ATOM 1651 C2 GUA A 58 48.131 62.461 28.294 1.00 0.00 SBOX C ATOM 1652 N2 GUA A 58 47.122 61.805 27.784 1.00 0.00 SBOX N ATOM 1653 H21 GUA A 58 46.525 62.383 27.210 1.00 0.00 SBOX ATOM 1654 H22 GUA A 58 46.994 60.826 27.997 1.00 0.00 SBOX ATOM 1655 N3 GUA A 58 49.170 61.787 28.820 1.00 0.00 SBOX N ATOM 1656 C4 GUA A 58 50.308 62.593 29.086 1.00 0.00 SBOX C ATOM 1657 C3' GUA A 58 53.841 60.336 28.899 1.00 0.00 SBOX C ATOM 1658 H3' GUA A 58 54.035 61.308 28.445 1.00 0.00 SBOX ATOM 1659 C2' GUA A 58 52.272 60.053 28.971 1.00 0.00 SBOX C ATOM 1660 H2'' GUA A 58 51.789 60.239 28.012 1.00 0.00 SBOX ATOM 1661 O2' GUA A 58 52.123 58.678 29.352 1.00 0.00 SBOX O ATOM 1662 H2' GUA A 58 52.711 58.204 28.760 1.00 0.00 SBOX ATOM 1663 O3' GUA A 58 54.624 59.329 28.343 1.00 0.00 SBOX O ATOM 1664 P CYT A 59 55.075 59.400 26.770 1.00 0.00 SBOX P ATOM 1665 O1P CYT A 59 55.574 60.784 26.502 1.00 0.00 SBOX ATOM 1666 O2P CYT A 59 55.946 58.247 26.502 1.00 0.00 SBOX ATOM 1667 O5' CYT A 59 53.742 59.240 25.961 1.00 0.00 SBOX O ATOM 1668 C5' CYT A 59 53.028 58.053 25.986 1.00 0.00 SBOX C ATOM 1669 H5' CYT A 59 52.869 57.673 26.995 1.00 0.00 SBOX ATOM 1670 H5'' CYT A 59 53.586 57.328 25.392 1.00 0.00 SBOX ATOM 1671 C4' CYT A 59 51.651 58.357 25.277 1.00 0.00 SBOX C ATOM 1672 H4' CYT A 59 51.085 57.428 25.202 1.00 0.00 SBOX ATOM 1673 O4' CYT A 59 50.964 59.321 26.066 1.00 0.00 SBOX O ATOM 1674 C1' CYT A 59 50.202 60.057 25.210 1.00 0.00 SBOX C ATOM 1675 H1' CYT A 59 49.180 59.991 25.583 1.00 0.00 SBOX ATOM 1676 N1 CYT A 59 50.648 61.541 25.192 1.00 0.00 SBOX N ATOM 1677 C6 CYT A 59 51.895 62.005 25.554 1.00 0.00 SBOX C ATOM 1678 H6 CYT A 59 52.736 61.361 25.767 1.00 0.00 SBOX ATOM 1679 C5 CYT A 59 52.123 63.305 25.558 1.00 0.00 SBOX C ATOM 1680 H5 CYT A 59 53.124 63.632 25.795 1.00 0.00 SBOX ATOM 1681 C4 CYT A 59 51.097 64.216 25.253 1.00 0.00 SBOX C ATOM 1682 N4 CYT A 59 51.330 65.473 25.241 1.00 0.00 SBOX N ATOM 1683 H41 CYT A 59 50.463 65.977 25.122 1.00 0.00 SBOX ATOM 1684 H42 CYT A 59 52.208 65.966 25.319 1.00 0.00 SBOX ATOM 1685 N3 CYT A 59 49.915 63.802 24.930 1.00 0.00 SBOX N ATOM 1686 C2 CYT A 59 49.657 62.464 24.953 1.00 0.00 SBOX C ATOM 1687 O2 CYT A 59 48.552 62.162 24.793 1.00 0.00 SBOX O ATOM 1688 C3' CYT A 59 51.632 58.983 23.877 1.00 0.00 SBOX C ATOM 1689 H3' CYT A 59 52.350 59.802 23.828 1.00 0.00 SBOX ATOM 1690 C2' CYT A 59 50.265 59.579 23.764 1.00 0.00 SBOX C ATOM 1691 H2'' CYT A 59 50.191 60.414 23.068 1.00 0.00 SBOX ATOM 1692 O2' CYT A 59 49.212 58.538 23.600 1.00 0.00 SBOX O ATOM 1693 H2' CYT A 59 48.372 58.989 23.484 1.00 0.00 SBOX ATOM 1694 O3' CYT A 59 51.837 58.057 22.774 1.00 0.00 SBOX O ATOM 1695 P CYT A 60 52.176 58.476 21.283 1.00 0.00 SBOX P ATOM 1696 O1P CYT A 60 53.282 59.429 21.365 1.00 0.00 SBOX ATOM 1697 O2P CYT A 60 52.494 57.220 20.513 1.00 0.00 SBOX ATOM 1698 O5' CYT A 60 50.930 59.224 20.681 1.00 0.00 SBOX O ATOM 1699 C5' CYT A 60 49.768 58.519 20.328 1.00 0.00 SBOX C ATOM 1700 H5' CYT A 60 49.325 58.044 21.203 1.00 0.00 SBOX ATOM 1701 H5'' CYT A 60 49.914 57.796 19.525 1.00 0.00 SBOX ATOM 1702 C4' CYT A 60 48.722 59.633 19.945 1.00 0.00 SBOX C ATOM 1703 H4' CYT A 60 47.793 59.108 19.724 1.00 0.00 SBOX ATOM 1704 O4' CYT A 60 48.540 60.628 21.010 1.00 0.00 SBOX O ATOM 1705 C1' CYT A 60 48.212 61.863 20.420 1.00 0.00 SBOX C ATOM 1706 H1' CYT A 60 47.275 62.276 20.794 1.00 0.00 SBOX ATOM 1707 N1 CYT A 60 49.266 62.924 20.671 1.00 0.00 SBOX N ATOM 1708 C6 CYT A 60 50.481 62.647 21.257 1.00 0.00 SBOX C ATOM 1709 H6 CYT A 60 50.892 61.677 21.019 1.00 0.00 SBOX ATOM 1710 C5 CYT A 60 51.240 63.663 21.784 1.00 0.00 SBOX C ATOM 1711 H5 CYT A 60 52.134 63.338 22.294 1.00 0.00 SBOX ATOM 1712 C4 CYT A 60 50.605 64.962 21.848 1.00 0.00 SBOX C ATOM 1713 N4 CYT A 60 51.298 65.928 22.329 1.00 0.00 SBOX N ATOM 1714 H41 CYT A 60 50.811 66.792 22.518 1.00 0.00 SBOX ATOM 1715 H42 CYT A 60 52.127 65.745 22.875 1.00 0.00 SBOX ATOM 1716 N3 CYT A 60 49.494 65.329 21.322 1.00 0.00 SBOX N ATOM 1717 C2 CYT A 60 48.785 64.325 20.736 1.00 0.00 SBOX C ATOM 1718 O2 CYT A 60 47.751 64.708 20.214 1.00 0.00 SBOX O ATOM 1719 C3' CYT A 60 49.053 60.415 18.768 1.00 0.00 SBOX C ATOM 1720 H3' CYT A 60 50.118 60.645 18.774 1.00 0.00 SBOX ATOM 1721 C2' CYT A 60 48.125 61.597 18.965 1.00 0.00 SBOX C ATOM 1722 H2'' CYT A 60 48.549 62.442 18.423 1.00 0.00 SBOX ATOM 1723 O2' CYT A 60 46.794 61.422 18.504 1.00 0.00 SBOX O ATOM 1724 H2' CYT A 60 46.775 61.299 17.552 1.00 0.00 SBOX ATOM 1725 O3' CYT A 60 48.881 59.674 17.573 1.00 0.00 SBOX O ATOM 1726 P ADE A 61 49.892 59.886 16.385 1.00 0.00 SBOX P ATOM 1727 O1P ADE A 61 49.749 61.282 16.003 1.00 0.00 SBOX ATOM 1728 O2P ADE A 61 51.192 59.261 16.701 1.00 0.00 SBOX ATOM 1729 O5' ADE A 61 49.092 58.956 15.342 1.00 0.00 SBOX O ATOM 1730 C5' ADE A 61 48.929 57.505 15.545 1.00 0.00 SBOX C ATOM 1731 H5' ADE A 61 48.542 57.269 16.537 1.00 0.00 SBOX ATOM 1732 H5'' ADE A 61 49.864 56.963 15.404 1.00 0.00 SBOX ATOM 1733 C4' ADE A 61 48.117 56.976 14.418 1.00 0.00 SBOX C ATOM 1734 H4' ADE A 61 47.114 57.402 14.427 1.00 0.00 SBOX ATOM 1735 O4' ADE A 61 48.772 57.059 13.059 1.00 0.00 SBOX O ATOM 1736 C1' ADE A 61 48.679 55.813 12.440 1.00 0.00 SBOX C ATOM 1737 H1' ADE A 61 48.422 55.942 11.388 1.00 0.00 SBOX ATOM 1738 N9 ADE A 61 50.105 55.166 12.269 1.00 0.00 SBOX N ATOM 1739 C8 ADE A 61 51.284 55.439 12.950 1.00 0.00 SBOX C ATOM 1740 H8 ADE A 61 51.335 56.230 13.683 1.00 0.00 SBOX ATOM 1741 N7 ADE A 61 52.268 54.826 12.393 1.00 0.00 SBOX N ATOM 1742 C5 ADE A 61 51.756 54.064 11.438 1.00 0.00 SBOX C ATOM 1743 C6 ADE A 61 52.245 53.034 10.508 1.00 0.00 SBOX C ATOM 1744 N6 ADE A 61 53.555 52.649 10.375 1.00 0.00 SBOX N ATOM 1745 H61 ADE A 61 53.733 51.820 9.826 1.00 0.00 SBOX ATOM 1746 H62 ADE A 61 54.294 52.981 10.978 1.00 0.00 SBOX ATOM 1747 N1 ADE A 61 51.401 52.288 9.795 1.00 0.00 SBOX N ATOM 1748 C2 ADE A 61 50.100 52.599 9.860 1.00 0.00 SBOX C ATOM 1749 H2 ADE A 61 49.393 52.008 9.297 1.00 0.00 SBOX ATOM 1750 N3 ADE A 61 49.531 53.456 10.678 1.00 0.00 SBOX N ATOM 1751 C4 ADE A 61 50.395 54.140 11.418 1.00 0.00 SBOX C ATOM 1752 C3' ADE A 61 47.920 55.454 14.646 1.00 0.00 SBOX C ATOM 1753 H3' ADE A 61 48.895 55.060 14.930 1.00 0.00 SBOX ATOM 1754 C2' ADE A 61 47.685 54.938 13.239 1.00 0.00 SBOX C ATOM 1755 H2'' ADE A 61 47.864 53.864 13.277 1.00 0.00 SBOX ATOM 1756 O2' ADE A 61 46.417 55.213 12.810 1.00 0.00 SBOX O ATOM 1757 H2' ADE A 61 45.924 55.782 13.406 1.00 0.00 SBOX ATOM 1758 O3' ADE A 61 46.888 55.201 15.648 1.00 0.00 SBOX O ATOM 1759 P ADE A 62 46.913 53.749 16.330 1.00 0.00 SBOX P ATOM 1760 O1P ADE A 62 48.285 53.677 16.930 1.00 0.00 SBOX ATOM 1761 O2P ADE A 62 45.664 53.716 17.152 1.00 0.00 SBOX ATOM 1762 O5' ADE A 62 46.911 52.590 15.274 1.00 0.00 SBOX O ATOM 1763 C5' ADE A 62 45.763 52.168 14.558 1.00 0.00 SBOX C ATOM 1764 H5' ADE A 62 45.253 52.914 13.949 1.00 0.00 SBOX ATOM 1765 H5'' ADE A 62 45.074 51.665 15.237 1.00 0.00 SBOX ATOM 1766 C4' ADE A 62 46.094 51.008 13.650 1.00 0.00 SBOX C ATOM 1767 H4' ADE A 62 45.181 50.779 13.100 1.00 0.00 SBOX ATOM 1768 O4' ADE A 62 47.015 51.439 12.714 1.00 0.00 SBOX O ATOM 1769 C1' ADE A 62 47.907 50.381 12.556 1.00 0.00 SBOX C ATOM 1770 H1' ADE A 62 47.878 50.075 11.510 1.00 0.00 SBOX ATOM 1771 N9 ADE A 62 49.289 50.801 12.942 1.00 0.00 SBOX N ATOM 1772 C8 ADE A 62 49.730 51.746 13.858 1.00 0.00 SBOX C ATOM 1773 H8 ADE A 62 48.981 52.298 14.408 1.00 0.00 SBOX ATOM 1774 N7 ADE A 62 51.025 51.965 13.873 1.00 0.00 SBOX N ATOM 1775 C5 ADE A 62 51.531 51.006 12.946 1.00 0.00 SBOX C ATOM 1776 C6 ADE A 62 52.768 50.501 12.488 1.00 0.00 SBOX C ATOM 1777 N6 ADE A 62 53.904 50.789 13.035 1.00 0.00 SBOX N ATOM 1778 H61 ADE A 62 54.718 50.348 12.633 1.00 0.00 SBOX ATOM 1779 H62 ADE A 62 54.030 51.235 13.932 1.00 0.00 SBOX ATOM 1780 N1 ADE A 62 52.877 49.483 11.646 1.00 0.00 SBOX N ATOM 1781 C2 ADE A 62 51.754 49.023 11.150 1.00 0.00 SBOX C ATOM 1782 H2 ADE A 62 51.852 48.242 10.410 1.00 0.00 SBOX ATOM 1783 N3 ADE A 62 50.513 49.378 11.442 1.00 0.00 SBOX N ATOM 1784 C4 ADE A 62 50.445 50.332 12.393 1.00 0.00 SBOX C ATOM 1785 C3' ADE A 62 46.589 49.757 14.397 1.00 0.00 SBOX C ATOM 1786 H3' ADE A 62 47.258 50.054 15.204 1.00 0.00 SBOX ATOM 1787 C2' ADE A 62 47.400 49.177 13.285 1.00 0.00 SBOX C ATOM 1788 H2'' ADE A 62 48.264 48.637 13.673 1.00 0.00 SBOX ATOM 1789 O2' ADE A 62 46.666 48.293 12.461 1.00 0.00 SBOX O ATOM 1790 H2' ADE A 62 45.983 47.873 12.989 1.00 0.00 SBOX ATOM 1791 O3' ADE A 62 45.543 48.979 14.889 1.00 0.00 SBOX O ATOM 1792 P URA A 63 45.781 47.703 15.886 1.00 0.00 SBOX P ATOM 1793 O1P URA A 63 44.470 47.002 16.041 1.00 0.00 SBOX ATOM 1794 O2P URA A 63 46.870 46.929 15.360 1.00 0.00 SBOX ATOM 1795 O5' URA A 63 46.207 48.295 17.297 1.00 0.00 SBOX O ATOM 1796 C5' URA A 63 45.294 48.990 18.134 1.00 0.00 SBOX C ATOM 1797 H5' URA A 63 44.365 49.277 17.643 1.00 0.00 SBOX ATOM 1798 H5'' URA A 63 45.713 49.963 18.392 1.00 0.00 SBOX ATOM 1799 C4' URA A 63 45.024 48.329 19.458 1.00 0.00 SBOX C ATOM 1800 H4' URA A 63 44.232 48.933 19.900 1.00 0.00 SBOX ATOM 1801 O4' URA A 63 44.533 46.974 19.376 1.00 0.00 SBOX O ATOM 1802 C1' URA A 63 45.552 46.137 19.919 1.00 0.00 SBOX C ATOM 1803 H1' URA A 63 45.171 45.936 20.920 1.00 0.00 SBOX ATOM 1804 N1 URA A 63 45.621 44.898 19.200 1.00 0.00 SBOX N ATOM 1805 C6 URA A 63 46.068 44.829 17.869 1.00 0.00 SBOX C ATOM 1806 H6 URA A 63 46.692 45.636 17.513 1.00 0.00 SBOX ATOM 1807 C5 URA A 63 45.922 43.724 17.147 1.00 0.00 SBOX C ATOM 1808 H5 URA A 63 46.424 43.596 16.200 1.00 0.00 SBOX ATOM 1809 C4 URA A 63 45.167 42.551 17.633 1.00 0.00 SBOX C ATOM 1810 O4 URA A 63 45.099 41.477 17.120 1.00 0.00 SBOX O ATOM 1811 N3 URA A 63 44.479 42.833 18.828 1.00 0.00 SBOX N ATOM 1812 H3 URA A 63 44.053 42.025 19.258 1.00 0.00 SBOX ATOM 1813 C2 URA A 63 44.746 43.843 19.693 1.00 0.00 SBOX C ATOM 1814 O2 URA A 63 44.326 43.804 20.851 1.00 0.00 SBOX O ATOM 1815 C3' URA A 63 46.258 48.369 20.377 1.00 0.00 SBOX C ATOM 1816 H3' URA A 63 46.985 49.117 20.062 1.00 0.00 SBOX ATOM 1817 C2' URA A 63 46.810 46.974 20.034 1.00 0.00 SBOX C ATOM 1818 H2'' URA A 63 47.364 47.005 19.096 1.00 0.00 SBOX ATOM 1819 O2' URA A 63 47.627 46.418 21.029 1.00 0.00 SBOX O ATOM 1820 H2' URA A 63 48.122 45.777 20.513 1.00 0.00 SBOX ATOM 1821 O3' URA A 63 45.846 48.473 21.741 1.00 0.00 SBOX O ATOM 1822 P URA A 64 46.365 49.733 22.645 1.00 0.00 SBOX P ATOM 1823 O1P URA A 64 45.997 50.908 21.801 1.00 0.00 SBOX ATOM 1824 O2P URA A 64 45.738 49.622 23.977 1.00 0.00 SBOX ATOM 1825 O5' URA A 64 47.917 49.607 22.924 1.00 0.00 SBOX O ATOM 1826 C5' URA A 64 48.870 50.365 22.185 1.00 0.00 SBOX C ATOM 1827 H5' URA A 64 48.853 51.406 22.509 1.00 0.00 SBOX ATOM 1828 H5'' URA A 64 48.621 50.366 21.124 1.00 0.00 SBOX ATOM 1829 C4' URA A 64 50.259 49.717 22.403 1.00 0.00 SBOX C ATOM 1830 H4' URA A 64 50.932 50.490 22.032 1.00 0.00 SBOX ATOM 1831 O4' URA A 64 50.513 49.249 23.734 1.00 0.00 SBOX O ATOM 1832 C1' URA A 64 51.569 48.261 23.680 1.00 0.00 SBOX C ATOM 1833 H1' URA A 64 52.529 48.769 23.777 1.00 0.00 SBOX ATOM 1834 N1 URA A 64 51.378 47.138 24.641 1.00 0.00 SBOX N ATOM 1835 C6 URA A 64 50.188 46.897 25.245 1.00 0.00 SBOX C ATOM 1836 H6 URA A 64 49.321 47.230 24.692 1.00 0.00 SBOX ATOM 1837 C5 URA A 64 50.125 46.064 26.330 1.00 0.00 SBOX C ATOM 1838 H5 URA A 64 49.137 45.804 26.679 1.00 0.00 SBOX ATOM 1839 C4 URA A 64 51.277 45.307 26.804 1.00 0.00 SBOX C ATOM 1840 O4 URA A 64 51.329 44.577 27.779 1.00 0.00 SBOX O ATOM 1841 N3 URA A 64 52.441 45.539 26.072 1.00 0.00 SBOX N ATOM 1842 H3 URA A 64 53.182 44.880 26.262 1.00 0.00 SBOX ATOM 1843 C2 URA A 64 52.540 46.372 24.931 1.00 0.00 SBOX C ATOM 1844 O2 URA A 64 53.572 46.411 24.276 1.00 0.00 SBOX O ATOM 1845 C3' URA A 64 50.315 48.448 21.555 1.00 0.00 SBOX C ATOM 1846 H3' URA A 64 49.414 47.863 21.734 1.00 0.00 SBOX ATOM 1847 C2' URA A 64 51.476 47.691 22.271 1.00 0.00 SBOX C ATOM 1848 H2'' URA A 64 51.210 46.635 22.309 1.00 0.00 SBOX ATOM 1849 O2' URA A 64 52.754 47.761 21.661 1.00 0.00 SBOX O ATOM 1850 H2' URA A 64 52.645 48.447 20.999 1.00 0.00 SBOX ATOM 1851 O3' URA A 64 50.312 48.732 20.181 1.00 0.00 SBOX O ATOM 1852 P CYT A 65 51.230 49.888 19.346 1.00 0.00 SBOX P ATOM 1853 O1P CYT A 65 50.521 51.198 19.532 1.00 0.00 SBOX ATOM 1854 O2P CYT A 65 52.634 49.713 19.868 1.00 0.00 SBOX ATOM 1855 O5' CYT A 65 51.191 49.524 17.810 1.00 0.00 SBOX O ATOM 1856 C5' CYT A 65 49.951 49.452 17.096 1.00 0.00 SBOX C ATOM 1857 H5' CYT A 65 49.635 50.314 16.508 1.00 0.00 SBOX ATOM 1858 H5'' CYT A 65 49.193 49.056 17.773 1.00 0.00 SBOX ATOM 1859 C4' CYT A 65 49.826 48.326 16.053 1.00 0.00 SBOX C ATOM 1860 H4' CYT A 65 48.769 48.256 15.797 1.00 0.00 SBOX ATOM 1861 O4' CYT A 65 50.598 48.654 14.920 1.00 0.00 SBOX O ATOM 1862 C1' CYT A 65 51.045 47.447 14.376 1.00 0.00 SBOX C ATOM 1863 H1' CYT A 65 50.822 47.360 13.313 1.00 0.00 SBOX ATOM 1864 N1 CYT A 65 52.528 47.449 14.497 1.00 0.00 SBOX N ATOM 1865 C6 CYT A 65 53.151 48.140 15.479 1.00 0.00 SBOX C ATOM 1866 H6 CYT A 65 52.566 48.634 16.240 1.00 0.00 SBOX ATOM 1867 C5 CYT A 65 54.494 47.995 15.549 1.00 0.00 SBOX C ATOM 1868 H5 CYT A 65 55.039 48.447 16.365 1.00 0.00 SBOX ATOM 1869 C4 CYT A 65 55.195 47.267 14.638 1.00 0.00 SBOX C ATOM 1870 N4 CYT A 65 56.389 47.023 14.841 1.00 0.00 SBOX N ATOM 1871 H41 CYT A 65 56.793 46.419 14.138 1.00 0.00 SBOX ATOM 1872 H42 CYT A 65 56.874 47.685 15.429 1.00 0.00 SBOX ATOM 1873 N3 CYT A 65 54.607 46.591 13.696 1.00 0.00 SBOX N ATOM 1874 C2 CYT A 65 53.231 46.672 13.594 1.00 0.00 SBOX C ATOM 1875 O2 CYT A 65 52.709 46.079 12.624 1.00 0.00 SBOX O ATOM 1876 C3' CYT A 65 50.280 46.903 16.643 1.00 0.00 SBOX C ATOM 1877 H3' CYT A 65 51.260 47.052 17.097 1.00 0.00 SBOX ATOM 1878 C2' CYT A 65 50.523 46.319 15.263 1.00 0.00 SBOX C ATOM 1879 H2'' CYT A 65 51.200 45.470 15.361 1.00 0.00 SBOX ATOM 1880 O2' CYT A 65 49.342 45.813 14.641 1.00 0.00 SBOX O ATOM 1881 H2' CYT A 65 48.542 46.217 14.983 1.00 0.00 SBOX ATOM 1882 O3' CYT A 65 49.338 46.232 17.547 1.00 0.00 SBOX O ATOM 1883 P CYT A 66 49.964 45.184 18.496 1.00 0.00 SBOX P ATOM 1884 O1P CYT A 66 51.319 45.633 18.907 1.00 0.00 SBOX ATOM 1885 O2P CYT A 66 49.033 44.830 19.538 1.00 0.00 SBOX ATOM 1886 O5' CYT A 66 50.242 43.837 17.685 1.00 0.00 SBOX O ATOM 1887 C5' CYT A 66 49.286 43.143 16.836 1.00 0.00 SBOX C ATOM 1888 H5' CYT A 66 48.564 43.832 16.399 1.00 0.00 SBOX ATOM 1889 H5'' CYT A 66 48.799 42.360 17.419 1.00 0.00 SBOX ATOM 1890 C4' CYT A 66 50.067 42.341 15.781 1.00 0.00 SBOX C ATOM 1891 H4' CYT A 66 49.344 41.871 15.115 1.00 0.00 SBOX ATOM 1892 O4' CYT A 66 51.043 42.983 14.904 1.00 0.00 SBOX O ATOM 1893 C1' CYT A 66 52.149 42.078 14.739 1.00 0.00 SBOX C ATOM 1894 H1' CYT A 66 52.201 42.008 13.652 1.00 0.00 SBOX ATOM 1895 N1 CYT A 66 53.426 42.692 15.270 1.00 0.00 SBOX N ATOM 1896 C6 CYT A 66 53.404 43.812 16.096 1.00 0.00 SBOX C ATOM 1897 H6 CYT A 66 52.507 44.171 16.578 1.00 0.00 SBOX ATOM 1898 C5 CYT A 66 54.580 44.413 16.348 1.00 0.00 SBOX C ATOM 1899 H5 CYT A 66 54.665 45.206 17.076 1.00 0.00 SBOX ATOM 1900 C4 CYT A 66 55.792 43.910 15.872 1.00 0.00 SBOX C ATOM 1901 N4 CYT A 66 56.979 44.509 15.991 1.00 0.00 SBOX N ATOM 1902 H41 CYT A 66 57.701 43.903 15.630 1.00 0.00 SBOX ATOM 1903 H42 CYT A 66 57.198 45.142 16.747 1.00 0.00 SBOX ATOM 1904 N3 CYT A 66 55.836 42.829 15.170 1.00 0.00 SBOX N ATOM 1905 C2 CYT A 66 54.678 42.187 14.851 1.00 0.00 SBOX C ATOM 1906 O2 CYT A 66 54.774 41.105 14.262 1.00 0.00 SBOX O ATOM 1907 C3' CYT A 66 50.797 41.171 16.512 1.00 0.00 SBOX C ATOM 1908 H3' CYT A 66 51.353 41.610 17.340 1.00 0.00 SBOX ATOM 1909 C2' CYT A 66 51.846 40.726 15.456 1.00 0.00 SBOX C ATOM 1910 H2'' CYT A 66 52.730 40.300 15.931 1.00 0.00 SBOX ATOM 1911 O2' CYT A 66 51.345 39.748 14.525 1.00 0.00 SBOX O ATOM 1912 H2' CYT A 66 50.471 39.562 14.876 1.00 0.00 SBOX ATOM 1913 O3' CYT A 66 49.992 40.201 17.077 1.00 0.00 SBOX O ATOM 1914 P URA A 67 50.517 39.271 18.338 1.00 0.00 SBOX P ATOM 1915 O1P URA A 67 50.960 40.067 19.533 1.00 0.00 SBOX ATOM 1916 O2P URA A 67 49.564 38.132 18.482 1.00 0.00 SBOX ATOM 1917 O5' URA A 67 51.900 38.722 17.770 1.00 0.00 SBOX O ATOM 1918 C5' URA A 67 51.964 37.583 16.983 1.00 0.00 SBOX C ATOM 1919 H5' URA A 67 51.563 37.714 15.978 1.00 0.00 SBOX ATOM 1920 H5'' URA A 67 51.462 36.713 17.407 1.00 0.00 SBOX ATOM 1921 C4' URA A 67 53.428 37.164 16.815 1.00 0.00 SBOX C ATOM 1922 H4' URA A 67 53.377 36.444 15.998 1.00 0.00 SBOX ATOM 1923 O4' URA A 67 54.204 38.242 16.319 1.00 0.00 SBOX O ATOM 1924 C1' URA A 67 55.329 38.390 17.184 1.00 0.00 SBOX C ATOM 1925 H1' URA A 67 56.188 38.424 16.515 1.00 0.00 SBOX ATOM 1926 N1 URA A 67 55.504 39.704 17.859 1.00 0.00 SBOX N ATOM 1927 C6 URA A 67 54.515 40.396 18.548 1.00 0.00 SBOX C ATOM 1928 H6 URA A 67 53.585 39.881 18.741 1.00 0.00 SBOX ATOM 1929 C5 URA A 67 54.695 41.642 18.950 1.00 0.00 SBOX C ATOM 1930 H5 URA A 67 53.976 42.196 19.535 1.00 0.00 SBOX ATOM 1931 C4 URA A 67 55.980 42.367 18.778 1.00 0.00 SBOX C ATOM 1932 O4 URA A 67 56.293 43.561 19.086 1.00 0.00 SBOX O ATOM 1933 N3 URA A 67 56.918 41.606 18.119 1.00 0.00 SBOX N ATOM 1934 H3 URA A 67 57.791 41.990 17.786 1.00 0.00 SBOX ATOM 1935 C2 URA A 67 56.838 40.249 17.850 1.00 0.00 SBOX C ATOM 1936 O2 URA A 67 57.808 39.625 17.426 1.00 0.00 SBOX O ATOM 1937 C3' URA A 67 54.054 36.539 18.103 1.00 0.00 SBOX C ATOM 1938 H3' URA A 67 53.502 36.892 18.973 1.00 0.00 SBOX ATOM 1939 C2' URA A 67 55.447 37.269 18.190 1.00 0.00 SBOX C ATOM 1940 H2'' URA A 67 55.589 37.480 19.250 1.00 0.00 SBOX ATOM 1941 O2' URA A 67 56.561 36.533 17.622 1.00 0.00 SBOX O ATOM 1942 H2' URA A 67 56.807 35.817 18.212 1.00 0.00 SBOX ATOM 1943 O3' URA A 67 54.124 35.107 18.080 1.00 0.00 SBOX O ATOM 1944 P GUA A 68 54.560 34.208 19.421 1.00 0.00 SBOX P ATOM 1945 O1P GUA A 68 53.957 34.849 20.615 1.00 0.00 SBOX ATOM 1946 O2P GUA A 68 54.177 32.826 19.056 1.00 0.00 SBOX ATOM 1947 O5' GUA A 68 56.148 34.405 19.715 1.00 0.00 SBOX O ATOM 1948 C5' GUA A 68 57.173 33.525 19.231 1.00 0.00 SBOX C ATOM 1949 H5' GUA A 68 57.042 33.301 18.172 1.00 0.00 SBOX ATOM 1950 H5'' GUA A 68 57.129 32.546 19.708 1.00 0.00 SBOX ATOM 1951 C4' GUA A 68 58.555 34.085 19.529 1.00 0.00 SBOX C ATOM 1952 H4' GUA A 68 59.251 33.425 19.011 1.00 0.00 SBOX ATOM 1953 O4' GUA A 68 58.713 35.411 18.963 1.00 0.00 SBOX O ATOM 1954 C1' GUA A 68 59.756 36.115 19.764 1.00 0.00 SBOX C ATOM 1955 H1' GUA A 68 60.607 36.423 19.156 1.00 0.00 SBOX ATOM 1956 N9 GUA A 68 59.171 37.409 20.313 1.00 0.00 SBOX N ATOM 1957 C8 GUA A 68 57.901 37.553 20.793 1.00 0.00 SBOX C ATOM 1958 H8 GUA A 68 57.148 36.779 20.754 1.00 0.00 SBOX ATOM 1959 N7 GUA A 68 57.602 38.796 21.105 1.00 0.00 SBOX N ATOM 1960 C5 GUA A 68 58.750 39.477 20.896 1.00 0.00 SBOX C ATOM 1961 C6 GUA A 68 59.094 40.855 21.025 1.00 0.00 SBOX C ATOM 1962 O6 GUA A 68 58.405 41.805 21.327 1.00 0.00 SBOX O ATOM 1963 N1 GUA A 68 60.448 41.133 20.758 1.00 0.00 SBOX N ATOM 1964 H1 GUA A 68 60.791 42.031 21.069 1.00 0.00 SBOX ATOM 1965 C2 GUA A 68 61.277 40.136 20.365 1.00 0.00 SBOX C ATOM 1966 N2 GUA A 68 62.491 40.533 20.366 1.00 0.00 SBOX N ATOM 1967 H21 GUA A 68 62.803 41.400 20.780 1.00 0.00 SBOX ATOM 1968 H22 GUA A 68 63.172 39.835 20.103 1.00 0.00 SBOX ATOM 1969 N3 GUA A 68 61.051 38.847 20.045 1.00 0.00 SBOX N ATOM 1970 C4 GUA A 68 59.748 38.629 20.370 1.00 0.00 SBOX C ATOM 1971 C3' GUA A 68 58.979 34.165 21.017 1.00 0.00 SBOX C ATOM 1972 H3' GUA A 68 58.210 34.835 21.400 1.00 0.00 SBOX ATOM 1973 C2' GUA A 68 60.244 35.168 20.869 1.00 0.00 SBOX C ATOM 1974 H2'' GUA A 68 60.493 35.649 21.815 1.00 0.00 SBOX ATOM 1975 O2' GUA A 68 61.360 34.576 20.252 1.00 0.00 SBOX O ATOM 1976 H2' GUA A 68 61.454 33.705 20.645 1.00 0.00 SBOX ATOM 1977 O3' GUA A 68 59.107 32.992 21.771 1.00 0.00 SBOX O ATOM 1978 P CYT A 69 59.951 31.734 21.426 1.00 0.00 SBOX P ATOM 1979 O1P CYT A 69 59.172 31.089 20.344 1.00 0.00 SBOX ATOM 1980 O2P CYT A 69 61.348 32.160 21.321 1.00 0.00 SBOX ATOM 1981 O5' CYT A 69 59.681 30.956 22.762 1.00 0.00 SBOX O ATOM 1982 C5' CYT A 69 60.576 30.789 23.861 1.00 0.00 SBOX C ATOM 1983 H5' CYT A 69 61.276 31.611 24.013 1.00 0.00 SBOX ATOM 1984 H5'' CYT A 69 61.047 29.807 23.815 1.00 0.00 SBOX ATOM 1985 C4' CYT A 69 59.807 30.653 25.119 1.00 0.00 SBOX C ATOM 1986 H4' CYT A 69 60.522 30.631 25.941 1.00 0.00 SBOX ATOM 1987 O4' CYT A 69 59.050 31.880 25.225 1.00 0.00 SBOX O ATOM 1988 C1' CYT A 69 57.926 31.605 25.938 1.00 0.00 SBOX C ATOM 1989 H1' CYT A 69 57.927 32.285 26.789 1.00 0.00 SBOX ATOM 1990 N1 CYT A 69 56.674 31.906 25.257 1.00 0.00 SBOX N ATOM 1991 C6 CYT A 69 56.651 32.079 23.881 1.00 0.00 SBOX C ATOM 1992 H6 CYT A 69 57.530 31.735 23.357 1.00 0.00 SBOX ATOM 1993 C5 CYT A 69 55.633 32.649 23.255 1.00 0.00 SBOX C ATOM 1994 H5 CYT A 69 55.658 32.803 22.187 1.00 0.00 SBOX ATOM 1995 C4 CYT A 69 54.569 33.009 24.058 1.00 0.00 SBOX C ATOM 1996 N4 CYT A 69 53.486 33.479 23.538 1.00 0.00 SBOX N ATOM 1997 H41 CYT A 69 52.710 33.577 24.177 1.00 0.00 SBOX ATOM 1998 H42 CYT A 69 53.452 33.815 22.586 1.00 0.00 SBOX ATOM 1999 N3 CYT A 69 54.429 32.649 25.316 1.00 0.00 SBOX N ATOM 2000 C2 CYT A 69 55.519 32.160 25.950 1.00 0.00 SBOX C ATOM 2001 O2 CYT A 69 55.512 31.841 27.129 1.00 0.00 SBOX O ATOM 2002 C3' CYT A 69 58.736 29.545 25.245 1.00 0.00 SBOX C ATOM 2003 H3' CYT A 69 58.221 29.500 24.285 1.00 0.00 SBOX ATOM 2004 C2' CYT A 69 57.910 30.129 26.388 1.00 0.00 SBOX C ATOM 2005 H2'' CYT A 69 56.928 29.659 26.431 1.00 0.00 SBOX ATOM 2006 O2' CYT A 69 58.535 30.169 27.672 1.00 0.00 SBOX O ATOM 2007 H2' CYT A 69 58.061 30.693 28.322 1.00 0.00 SBOX ATOM 2008 O3' CYT A 69 59.180 28.217 25.563 1.00 0.00 SBOX O ATOM 2009 P ADE A 70 58.321 26.959 25.139 1.00 0.00 SBOX P ATOM 2010 O1P ADE A 70 57.933 27.074 23.707 1.00 0.00 SBOX ATOM 2011 O2P ADE A 70 59.114 25.748 25.602 1.00 0.00 SBOX ATOM 2012 O5' ADE A 70 57.039 26.915 26.020 1.00 0.00 SBOX O ATOM 2013 C5' ADE A 70 57.126 26.768 27.490 1.00 0.00 SBOX C ATOM 2014 H5' ADE A 70 57.749 27.622 27.756 1.00 0.00 SBOX ATOM 2015 H5'' ADE A 70 57.588 25.840 27.827 1.00 0.00 SBOX ATOM 2016 C4' ADE A 70 55.750 26.917 28.146 1.00 0.00 SBOX C ATOM 2017 H4' ADE A 70 55.918 26.486 29.133 1.00 0.00 SBOX ATOM 2018 O4' ADE A 70 55.283 28.209 28.277 1.00 0.00 SBOX O ATOM 2019 C1' ADE A 70 53.898 28.283 27.981 1.00 0.00 SBOX C ATOM 2020 H1' ADE A 70 53.366 28.889 28.715 1.00 0.00 SBOX ATOM 2021 N9 ADE A 70 53.630 28.812 26.628 1.00 0.00 SBOX N ATOM 2022 C8 ADE A 70 54.315 28.844 25.437 1.00 0.00 SBOX C ATOM 2023 H8 ADE A 70 55.279 28.358 25.411 1.00 0.00 SBOX ATOM 2024 N7 ADE A 70 53.796 29.541 24.470 1.00 0.00 SBOX N ATOM 2025 C5 ADE A 70 52.530 29.807 24.951 1.00 0.00 SBOX C ATOM 2026 C6 ADE A 70 51.349 30.438 24.461 1.00 0.00 SBOX C ATOM 2027 N6 ADE A 70 51.255 31.197 23.396 1.00 0.00 SBOX N ATOM 2028 H61 ADE A 70 50.582 31.948 23.345 1.00 0.00 SBOX ATOM 2029 H62 ADE A 70 52.106 31.199 22.851 1.00 0.00 SBOX ATOM 2030 N1 ADE A 70 50.260 30.467 25.234 1.00 0.00 SBOX N ATOM 2031 C2 ADE A 70 50.268 29.891 26.423 1.00 0.00 SBOX C ATOM 2032 H2 ADE A 70 49.341 29.845 26.976 1.00 0.00 SBOX ATOM 2033 N3 ADE A 70 51.287 29.280 26.986 1.00 0.00 SBOX N ATOM 2034 C4 ADE A 70 52.379 29.231 26.198 1.00 0.00 SBOX C ATOM 2035 C3' ADE A 70 54.635 26.088 27.536 1.00 0.00 SBOX C ATOM 2036 H3' ADE A 70 54.538 26.193 26.456 1.00 0.00 SBOX ATOM 2037 C2' ADE A 70 53.410 26.829 28.121 1.00 0.00 SBOX C ATOM 2038 H2'' ADE A 70 52.558 26.635 27.470 1.00 0.00 SBOX ATOM 2039 O2' ADE A 70 53.021 26.726 29.459 1.00 0.00 SBOX O ATOM 2040 H2' ADE A 70 52.131 27.023 29.666 1.00 0.00 SBOX ATOM 2041 O3' ADE A 70 54.586 24.746 27.990 1.00 0.00 SBOX O ATOM 2042 P GUA A 71 53.923 23.609 27.126 1.00 0.00 SBOX P ATOM 2043 O1P GUA A 71 54.347 23.752 25.727 1.00 0.00 SBOX ATOM 2044 O2P GUA A 71 54.144 22.324 27.807 1.00 0.00 SBOX ATOM 2045 O5' GUA A 71 52.343 23.902 27.135 1.00 0.00 SBOX O ATOM 2046 C5' GUA A 71 51.535 23.651 28.312 1.00 0.00 SBOX C ATOM 2047 H5' GUA A 71 52.075 24.053 29.170 1.00 0.00 SBOX ATOM 2048 H5'' GUA A 71 51.539 22.569 28.442 1.00 0.00 SBOX ATOM 2049 C4' GUA A 71 50.080 24.145 28.392 1.00 0.00 SBOX C ATOM 2050 H4' GUA A 71 49.700 23.967 29.398 1.00 0.00 SBOX ATOM 2051 O4' GUA A 71 49.997 25.549 28.104 1.00 0.00 SBOX O ATOM 2052 C1' GUA A 71 48.695 25.845 27.528 1.00 0.00 SBOX C ATOM 2053 H1' GUA A 71 48.100 26.537 28.125 1.00 0.00 SBOX ATOM 2054 N9 GUA A 71 48.857 26.432 26.236 1.00 0.00 SBOX N ATOM 2055 C8 GUA A 71 50.013 26.578 25.462 1.00 0.00 SBOX C ATOM 2056 H8 GUA A 71 50.989 26.261 25.798 1.00 0.00 SBOX ATOM 2057 N7 GUA A 71 49.852 27.279 24.387 1.00 0.00 SBOX N ATOM 2058 C5 GUA A 71 48.510 27.724 24.423 1.00 0.00 SBOX C ATOM 2059 C6 GUA A 71 47.628 28.451 23.520 1.00 0.00 SBOX C ATOM 2060 O6 GUA A 71 47.878 29.164 22.547 1.00 0.00 SBOX O ATOM 2061 N1 GUA A 71 46.317 28.526 23.999 1.00 0.00 SBOX N ATOM 2062 H1 GUA A 71 45.759 29.205 23.501 1.00 0.00 SBOX ATOM 2063 C2 GUA A 71 45.892 28.004 25.152 1.00 0.00 SBOX C ATOM 2064 N2 GUA A 71 44.574 28.117 25.264 1.00 0.00 SBOX N ATOM 2065 H21 GUA A 71 44.088 28.428 24.435 1.00 0.00 SBOX ATOM 2066 H22 GUA A 71 44.191 27.503 25.968 1.00 0.00 SBOX ATOM 2067 N3 GUA A 71 46.531 27.190 25.951 1.00 0.00 SBOX N ATOM 2068 C4 GUA A 71 47.846 27.078 25.485 1.00 0.00 SBOX C ATOM 2069 C3' GUA A 71 49.126 23.521 27.424 1.00 0.00 SBOX C ATOM 2070 H3' GUA A 71 49.578 23.596 26.435 1.00 0.00 SBOX ATOM 2071 C2' GUA A 71 47.960 24.506 27.523 1.00 0.00 SBOX C ATOM 2072 H2'' GUA A 71 47.307 24.464 26.652 1.00 0.00 SBOX ATOM 2073 O2' GUA A 71 47.121 24.422 28.745 1.00 0.00 SBOX O ATOM 2074 H2' GUA A 71 46.389 25.022 28.582 1.00 0.00 SBOX ATOM 2075 O3' GUA A 71 48.792 22.274 27.866 1.00 0.00 SBOX O ATOM 2076 P CYT A 72 48.733 20.995 26.842 1.00 0.00 SBOX P ATOM 2077 O1P CYT A 72 49.949 20.956 26.040 1.00 0.00 SBOX ATOM 2078 O2P CYT A 72 48.432 19.809 27.685 1.00 0.00 SBOX ATOM 2079 O5' CYT A 72 47.501 21.571 25.930 1.00 0.00 SBOX O ATOM 2080 C5' CYT A 72 46.180 21.616 26.599 1.00 0.00 SBOX C ATOM 2081 H5' CYT A 72 46.330 22.200 27.507 1.00 0.00 SBOX ATOM 2082 H5'' CYT A 72 45.839 20.597 26.783 1.00 0.00 SBOX ATOM 2083 C4' CYT A 72 45.015 22.286 25.881 1.00 0.00 SBOX C ATOM 2084 H4' CYT A 72 44.191 22.096 26.570 1.00 0.00 SBOX ATOM 2085 O4' CYT A 72 45.243 23.673 25.794 1.00 0.00 SBOX O ATOM 2086 C1' CYT A 72 44.739 24.231 24.531 1.00 0.00 SBOX C ATOM 2087 H1' CYT A 72 44.059 25.049 24.766 1.00 0.00 SBOX ATOM 2088 N1 CYT A 72 45.923 24.737 23.704 1.00 0.00 SBOX N ATOM 2089 C6 CYT A 72 47.108 24.069 23.554 1.00 0.00 SBOX C ATOM 2090 H6 CYT A 72 47.451 23.375 24.306 1.00 0.00 SBOX ATOM 2091 C5 CYT A 72 48.009 24.493 22.603 1.00 0.00 SBOX C ATOM 2092 H5 CYT A 72 48.979 24.025 22.516 1.00 0.00 SBOX ATOM 2093 C4 CYT A 72 47.568 25.345 21.629 1.00 0.00 SBOX C ATOM 2094 N4 CYT A 72 48.206 25.679 20.552 1.00 0.00 SBOX N ATOM 2095 H41 CYT A 72 47.752 26.345 19.944 1.00 0.00 SBOX ATOM 2096 H42 CYT A 72 48.911 25.035 20.221 1.00 0.00 SBOX ATOM 2097 N3 CYT A 72 46.398 25.917 21.698 1.00 0.00 SBOX N ATOM 2098 C2 CYT A 72 45.603 25.729 22.726 1.00 0.00 SBOX C ATOM 2099 O2 CYT A 72 44.555 26.342 22.804 1.00 0.00 SBOX O ATOM 2100 C3' CYT A 72 44.852 21.800 24.377 1.00 0.00 SBOX C ATOM 2101 H3' CYT A 72 45.856 21.721 23.961 1.00 0.00 SBOX ATOM 2102 C2' CYT A 72 44.088 23.019 23.837 1.00 0.00 SBOX C ATOM 2103 H2'' CYT A 72 44.163 23.001 22.749 1.00 0.00 SBOX ATOM 2104 O2' CYT A 72 42.733 22.926 24.135 1.00 0.00 SBOX O ATOM 2105 H2' CYT A 72 42.224 23.738 24.203 1.00 0.00 SBOX ATOM 2106 O3' CYT A 72 44.182 20.608 24.110 1.00 0.00 SBOX O ATOM 2107 P GUA A 73 44.272 19.902 22.690 1.00 0.00 SBOX P ATOM 2108 O1P GUA A 73 45.649 19.968 22.193 1.00 0.00 SBOX ATOM 2109 O2P GUA A 73 43.682 18.489 22.813 1.00 0.00 SBOX ATOM 2110 O5' GUA A 73 43.369 20.852 21.757 1.00 0.00 SBOX O ATOM 2111 C5' GUA A 73 41.980 20.786 21.752 1.00 0.00 SBOX C ATOM 2112 H5' GUA A 73 41.515 20.965 22.721 1.00 0.00 SBOX ATOM 2113 H5'' GUA A 73 41.578 19.813 21.469 1.00 0.00 SBOX ATOM 2114 C4' GUA A 73 41.368 21.778 20.714 1.00 0.00 SBOX C ATOM 2115 H4' GUA A 73 40.290 21.665 20.833 1.00 0.00 SBOX ATOM 2116 O4' GUA A 73 42.046 23.018 20.970 1.00 0.00 SBOX O ATOM 2117 C1' GUA A 73 42.221 23.703 19.725 1.00 0.00 SBOX C ATOM 2118 H1' GUA A 73 41.757 24.681 19.847 1.00 0.00 SBOX ATOM 2119 N9 GUA A 73 43.702 23.844 19.348 1.00 0.00 SBOX N ATOM 2120 C8 GUA A 73 44.792 23.237 19.938 1.00 0.00 SBOX C ATOM 2121 H8 GUA A 73 44.735 22.355 20.560 1.00 0.00 SBOX ATOM 2122 N7 GUA A 73 45.920 23.592 19.313 1.00 0.00 SBOX N ATOM 2123 C5 GUA A 73 45.519 24.580 18.371 1.00 0.00 SBOX C ATOM 2124 C6 GUA A 73 46.268 25.332 17.347 1.00 0.00 SBOX C ATOM 2125 O6 GUA A 73 47.475 25.345 17.046 1.00 0.00 SBOX O ATOM 2126 N1 GUA A 73 45.456 25.944 16.518 1.00 0.00 SBOX N ATOM 2127 H1 GUA A 73 45.959 26.472 15.819 1.00 0.00 SBOX ATOM 2128 C2 GUA A 73 44.082 25.828 16.496 1.00 0.00 SBOX C ATOM 2129 N2 GUA A 73 43.460 26.501 15.606 1.00 0.00 SBOX N ATOM 2130 H21 GUA A 73 44.009 26.956 14.891 1.00 0.00 SBOX ATOM 2131 H22 GUA A 73 42.474 26.572 15.815 1.00 0.00 SBOX ATOM 2132 N3 GUA A 73 43.400 25.254 17.404 1.00 0.00 SBOX N ATOM 2133 C4 GUA A 73 44.133 24.610 18.320 1.00 0.00 SBOX C ATOM 2134 C3' GUA A 73 41.622 21.468 19.286 1.00 0.00 SBOX C ATOM 2135 H3' GUA A 73 42.667 21.178 19.170 1.00 0.00 SBOX ATOM 2136 C2' GUA A 73 41.505 22.856 18.696 1.00 0.00 SBOX C ATOM 2137 H2'' GUA A 73 41.951 22.917 17.703 1.00 0.00 SBOX ATOM 2138 O2' GUA A 73 40.245 23.493 18.588 1.00 0.00 SBOX O ATOM 2139 H2' GUA A 73 40.278 24.135 17.875 1.00 0.00 SBOX ATOM 2140 O3' GUA A 73 40.658 20.647 18.615 1.00 0.00 SBOX O ATOM 2141 P GUA A 74 41.129 19.194 18.319 1.00 0.00 SBOX P ATOM 2142 O1P GUA A 74 42.246 18.808 19.199 1.00 0.00 SBOX ATOM 2143 O2P GUA A 74 39.872 18.407 18.402 1.00 0.00 SBOX ATOM 2144 O5' GUA A 74 41.600 19.321 16.859 1.00 0.00 SBOX O ATOM 2145 C5' GUA A 74 42.332 20.352 16.390 1.00 0.00 SBOX C ATOM 2146 H5' GUA A 74 43.096 20.527 17.147 1.00 0.00 SBOX ATOM 2147 H5'' GUA A 74 41.680 21.217 16.264 1.00 0.00 SBOX ATOM 2148 C4' GUA A 74 42.945 20.339 14.959 1.00 0.00 SBOX C ATOM 2149 H4' GUA A 74 42.170 20.461 14.202 1.00 0.00 SBOX ATOM 2150 O4' GUA A 74 43.512 21.659 14.848 1.00 0.00 SBOX O ATOM 2151 C1' GUA A 74 44.622 21.641 14.052 1.00 0.00 SBOX C ATOM 2152 H1' GUA A 74 44.396 22.406 13.309 1.00 0.00 SBOX ATOM 2153 N9 GUA A 74 45.788 22.000 14.878 1.00 0.00 SBOX N ATOM 2154 C8 GUA A 74 46.183 21.561 16.145 1.00 0.00 SBOX C ATOM 2155 H8 GUA A 74 45.579 21.051 16.881 1.00 0.00 SBOX ATOM 2156 N7 GUA A 74 47.364 21.840 16.397 1.00 0.00 SBOX N ATOM 2157 C5 GUA A 74 47.772 22.686 15.345 1.00 0.00 SBOX C ATOM 2158 C6 GUA A 74 49.012 23.403 15.165 1.00 0.00 SBOX C ATOM 2159 O6 GUA A 74 50.086 23.436 15.829 1.00 0.00 SBOX O ATOM 2160 N1 GUA A 74 49.009 24.105 13.972 1.00 0.00 SBOX N ATOM 2161 H1 GUA A 74 49.855 24.637 13.829 1.00 0.00 SBOX ATOM 2162 C2 GUA A 74 48.021 24.145 13.146 1.00 0.00 SBOX C ATOM 2163 N2 GUA A 74 48.089 24.941 12.139 1.00 0.00 SBOX N ATOM 2164 H21 GUA A 74 48.963 25.399 11.925 1.00 0.00 SBOX ATOM 2165 H22 GUA A 74 47.225 24.914 11.616 1.00 0.00 SBOX ATOM 2166 N3 GUA A 74 46.840 23.532 13.310 1.00 0.00 SBOX N ATOM 2167 C4 GUA A 74 46.765 22.780 14.436 1.00 0.00 SBOX C ATOM 2168 C3' GUA A 74 44.000 19.349 14.481 1.00 0.00 SBOX C ATOM 2169 H3' GUA A 74 44.584 19.030 15.344 1.00 0.00 SBOX ATOM 2170 C2' GUA A 74 44.840 20.173 13.487 1.00 0.00 SBOX C ATOM 2171 H2'' GUA A 74 45.852 19.783 13.604 1.00 0.00 SBOX ATOM 2172 O2' GUA A 74 44.387 20.050 12.129 1.00 0.00 SBOX O ATOM 2173 H2' GUA A 74 44.723 20.749 11.564 1.00 0.00 SBOX ATOM 2174 O3' GUA A 74 43.433 18.178 13.966 1.00 0.00 SBOX O ATOM 2175 P ADE A 75 44.179 16.885 13.548 1.00 0.00 SBOX P ATOM 2176 O1P ADE A 75 44.772 16.335 14.768 1.00 0.00 SBOX ATOM 2177 O2P ADE A 75 43.157 16.064 12.856 1.00 0.00 SBOX ATOM 2178 O5' ADE A 75 45.307 17.252 12.574 1.00 0.00 SBOX O ATOM 2179 C5' ADE A 75 46.466 16.406 12.594 1.00 0.00 SBOX C ATOM 2180 H5' ADE A 75 46.213 15.348 12.664 1.00 0.00 SBOX ATOM 2181 H5'' ADE A 75 46.968 16.658 13.528 1.00 0.00 SBOX ATOM 2182 C4' ADE A 75 47.424 16.667 11.486 1.00 0.00 SBOX C ATOM 2183 H4' ADE A 75 48.238 15.954 11.620 1.00 0.00 SBOX ATOM 2184 O4' ADE A 75 46.933 16.315 10.200 1.00 0.00 SBOX O ATOM 2185 C1' ADE A 75 46.761 17.510 9.419 1.00 0.00 SBOX C ATOM 2186 H1' ADE A 75 47.188 17.122 8.494 1.00 0.00 SBOX ATOM 2187 N9 ADE A 75 45.369 17.883 9.206 1.00 0.00 SBOX N ATOM 2188 C8 ADE A 75 44.222 17.292 9.684 1.00 0.00 SBOX C ATOM 2189 H8 ADE A 75 44.226 16.382 10.265 1.00 0.00 SBOX ATOM 2190 N7 ADE A 75 43.142 17.867 9.193 1.00 0.00 SBOX N ATOM 2191 C5 ADE A 75 43.610 18.822 8.232 1.00 0.00 SBOX C ATOM 2192 C6 ADE A 75 43.034 19.688 7.240 1.00 0.00 SBOX C ATOM 2193 N6 ADE A 75 41.744 20.016 7.158 1.00 0.00 SBOX N ATOM 2194 H61 ADE A 75 41.501 20.823 6.600 1.00 0.00 SBOX ATOM 2195 H62 ADE A 75 41.104 19.527 7.766 1.00 0.00 SBOX ATOM 2196 N1 ADE A 75 43.853 20.325 6.425 1.00 0.00 SBOX N ATOM 2197 C2 ADE A 75 45.167 20.252 6.471 1.00 0.00 SBOX C ATOM 2198 H2 ADE A 75 45.830 20.732 5.767 1.00 0.00 SBOX ATOM 2199 N3 ADE A 75 45.787 19.531 7.340 1.00 0.00 SBOX N ATOM 2200 C4 ADE A 75 45.016 18.763 8.138 1.00 0.00 SBOX C ATOM 2201 C3' ADE A 75 47.822 18.171 11.422 1.00 0.00 SBOX C ATOM 2202 H3' ADE A 75 47.091 18.758 11.980 1.00 0.00 SBOX ATOM 2203 C2' ADE A 75 47.707 18.578 9.953 1.00 0.00 SBOX C ATOM 2204 H2'' ADE A 75 47.447 19.631 9.850 1.00 0.00 SBOX ATOM 2205 O2' ADE A 75 48.914 18.461 9.170 1.00 0.00 SBOX O ATOM 2206 H2' ADE A 75 49.562 18.651 9.852 1.00 0.00 SBOX ATOM 2207 O3' ADE A 75 49.208 18.381 11.862 1.00 0.00 SBOX O ATOM 2208 P ADE A 76 49.564 19.733 12.601 1.00 0.00 SBOX P ATOM 2209 O1P ADE A 76 48.493 20.085 13.484 1.00 0.00 SBOX ATOM 2210 O2P ADE A 76 50.905 19.660 13.111 1.00 0.00 SBOX ATOM 2211 O5' ADE A 76 49.606 20.667 11.400 1.00 0.00 SBOX O ATOM 2212 C5' ADE A 76 50.768 20.904 10.561 1.00 0.00 SBOX C ATOM 2213 H5' ADE A 76 51.211 19.997 10.149 1.00 0.00 SBOX ATOM 2214 H5'' ADE A 76 51.559 21.323 11.183 1.00 0.00 SBOX ATOM 2215 C4' ADE A 76 50.494 22.016 9.454 1.00 0.00 SBOX C ATOM 2216 H4' ADE A 76 51.317 22.008 8.739 1.00 0.00 SBOX ATOM 2217 O4' ADE A 76 49.337 21.525 8.826 1.00 0.00 SBOX O ATOM 2218 C1' ADE A 76 48.521 22.627 8.403 1.00 0.00 SBOX C ATOM 2219 H1' ADE A 76 48.354 22.601 7.326 1.00 0.00 SBOX ATOM 2220 N9 ADE A 76 47.225 22.527 9.122 1.00 0.00 SBOX N ATOM 2221 C8 ADE A 76 46.844 22.086 10.397 1.00 0.00 SBOX C ATOM 2222 H8 ADE A 76 47.546 21.809 11.170 1.00 0.00 SBOX ATOM 2223 N7 ADE A 76 45.538 22.071 10.619 1.00 0.00 SBOX N ATOM 2224 C5 ADE A 76 45.056 22.653 9.443 1.00 0.00 SBOX C ATOM 2225 C6 ADE A 76 43.749 22.898 8.948 1.00 0.00 SBOX C ATOM 2226 N6 ADE A 76 42.623 22.444 9.376 1.00 0.00 SBOX N ATOM 2227 H61 ADE A 76 41.859 22.915 8.912 1.00 0.00 SBOX ATOM 2228 H62 ADE A 76 42.621 21.974 10.269 1.00 0.00 SBOX ATOM 2229 N1 ADE A 76 43.500 23.389 7.712 1.00 0.00 SBOX N ATOM 2230 C2 ADE A 76 44.585 23.712 7.010 1.00 0.00 SBOX C ATOM 2231 H2 ADE A 76 44.459 24.282 6.101 1.00 0.00 SBOX ATOM 2232 N3 ADE A 76 45.902 23.491 7.292 1.00 0.00 SBOX N ATOM 2233 C4 ADE A 76 46.072 22.929 8.566 1.00 0.00 SBOX C ATOM 2234 C3' ADE A 76 50.181 23.459 9.891 1.00 0.00 SBOX C ATOM 2235 H3' ADE A 76 49.538 23.390 10.768 1.00 0.00 SBOX ATOM 2236 C2' ADE A 76 49.284 23.902 8.680 1.00 0.00 SBOX C ATOM 2237 H2'' ADE A 76 48.643 24.734 8.972 1.00 0.00 SBOX ATOM 2238 O2' ADE A 76 49.857 24.135 7.441 1.00 0.00 SBOX O ATOM 2239 H2' ADE A 76 50.720 23.713 7.457 1.00 0.00 SBOX ATOM 2240 O3' ADE A 76 51.320 24.236 10.059 1.00 0.00 SBOX O ATOM 2241 P ADE A 77 51.283 25.668 10.666 1.00 0.00 SBOX P ATOM 2242 O1P ADE A 77 50.752 25.574 12.032 1.00 0.00 SBOX ATOM 2243 O2P ADE A 77 52.676 26.209 10.599 1.00 0.00 SBOX ATOM 2244 O5' ADE A 77 50.338 26.610 9.722 1.00 0.00 SBOX O ATOM 2245 C5' ADE A 77 50.902 27.536 8.792 1.00 0.00 SBOX C ATOM 2246 H5' ADE A 77 51.714 27.108 8.204 1.00 0.00 SBOX ATOM 2247 H5'' ADE A 77 51.390 28.322 9.368 1.00 0.00 SBOX ATOM 2248 C4' ADE A 77 49.796 28.040 7.865 1.00 0.00 SBOX C ATOM 2249 H4' ADE A 77 50.264 28.515 7.003 1.00 0.00 SBOX ATOM 2250 O4' ADE A 77 48.924 27.015 7.411 1.00 0.00 SBOX O ATOM 2251 C1' ADE A 77 47.605 27.513 7.373 1.00 0.00 SBOX C ATOM 2252 H1' ADE A 77 47.219 27.192 6.405 1.00 0.00 SBOX ATOM 2253 N9 ADE A 77 46.682 26.940 8.472 1.00 0.00 SBOX N ATOM 2254 C8 ADE A 77 46.979 26.469 9.738 1.00 0.00 SBOX C ATOM 2255 H8 ADE A 77 47.946 26.270 10.177 1.00 0.00 SBOX ATOM 2256 N7 ADE A 77 45.910 26.139 10.463 1.00 0.00 SBOX N ATOM 2257 C5 ADE A 77 44.851 26.324 9.566 1.00 0.00 SBOX C ATOM 2258 C6 ADE A 77 43.497 26.173 9.622 1.00 0.00 SBOX C ATOM 2259 N6 ADE A 77 42.761 25.740 10.552 1.00 0.00 SBOX N ATOM 2260 H61 ADE A 77 41.765 25.841 10.421 1.00 0.00 SBOX ATOM 2261 H62 ADE A 77 43.186 25.139 11.244 1.00 0.00 SBOX ATOM 2262 N1 ADE A 77 42.692 26.517 8.633 1.00 0.00 SBOX N ATOM 2263 C2 ADE A 77 43.226 26.990 7.496 1.00 0.00 SBOX C ATOM 2264 H2 ADE A 77 42.612 27.290 6.660 1.00 0.00 SBOX ATOM 2265 N3 ADE A 77 44.501 27.281 7.266 1.00 0.00 SBOX N ATOM 2266 C4 ADE A 77 45.276 26.873 8.376 1.00 0.00 SBOX C ATOM 2267 C3' ADE A 77 48.946 29.167 8.483 1.00 0.00 SBOX C ATOM 2268 H3' ADE A 77 48.788 28.854 9.515 1.00 0.00 SBOX ATOM 2269 C2' ADE A 77 47.765 29.010 7.577 1.00 0.00 SBOX C ATOM 2270 H2'' ADE A 77 46.875 29.395 8.075 1.00 0.00 SBOX ATOM 2271 O2' ADE A 77 47.832 29.515 6.266 1.00 0.00 SBOX O ATOM 2272 H2' ADE A 77 48.263 30.369 6.347 1.00 0.00 SBOX ATOM 2273 O3' ADE A 77 49.604 30.461 8.294 1.00 0.00 SBOX O ATOM 2274 P CYT A 78 49.728 31.446 9.569 1.00 0.00 SBOX P ATOM 2275 O1P CYT A 78 50.763 30.858 10.456 1.00 0.00 SBOX ATOM 2276 O2P CYT A 78 49.964 32.776 8.966 1.00 0.00 SBOX ATOM 2277 O5' CYT A 78 48.320 31.374 10.331 1.00 0.00 SBOX O ATOM 2278 C5' CYT A 78 47.220 31.876 9.650 1.00 0.00 SBOX C ATOM 2279 H5' CYT A 78 47.362 31.837 8.570 1.00 0.00 SBOX ATOM 2280 H5'' CYT A 78 47.141 32.919 9.954 1.00 0.00 SBOX ATOM 2281 C4' CYT A 78 45.989 31.168 10.275 1.00 0.00 SBOX C ATOM 2282 H4' CYT A 78 45.087 31.343 9.688 1.00 0.00 SBOX ATOM 2283 O4' CYT A 78 46.118 29.742 10.410 1.00 0.00 SBOX O ATOM 2284 C1' CYT A 78 45.497 29.377 11.611 1.00 0.00 SBOX C ATOM 2285 H1' CYT A 78 44.726 28.627 11.435 1.00 0.00 SBOX ATOM 2286 N1 CYT A 78 46.422 28.770 12.551 1.00 0.00 SBOX N ATOM 2287 C6 CYT A 78 47.745 29.015 12.563 1.00 0.00 SBOX C ATOM 2288 H6 CYT A 78 48.090 29.791 11.896 1.00 0.00 SBOX ATOM 2289 C5 CYT A 78 48.530 28.530 13.574 1.00 0.00 SBOX C ATOM 2290 H5 CYT A 78 49.558 28.860 13.595 1.00 0.00 SBOX ATOM 2291 C4 CYT A 78 48.009 27.520 14.391 1.00 0.00 SBOX C ATOM 2292 N4 CYT A 78 48.764 26.856 15.189 1.00 0.00 SBOX N ATOM 2293 H41 CYT A 78 48.269 26.216 15.794 1.00 0.00 SBOX ATOM 2294 H42 CYT A 78 49.762 26.847 15.039 1.00 0.00 SBOX ATOM 2295 N3 CYT A 78 46.734 27.244 14.348 1.00 0.00 SBOX N ATOM 2296 C2 CYT A 78 45.899 27.921 13.545 1.00 0.00 SBOX C ATOM 2297 O2 CYT A 78 44.767 27.576 13.471 1.00 0.00 SBOX O ATOM 2298 C3' CYT A 78 45.792 31.713 11.742 1.00 0.00 SBOX C ATOM 2299 H3' CYT A 78 46.771 31.768 12.219 1.00 0.00 SBOX ATOM 2300 C2' CYT A 78 44.830 30.601 12.238 1.00 0.00 SBOX C ATOM 2301 H2'' CYT A 78 44.826 30.556 13.327 1.00 0.00 SBOX ATOM 2302 O2' CYT A 78 43.562 30.589 11.609 1.00 0.00 SBOX O ATOM 2303 H2' CYT A 78 42.943 29.965 11.995 1.00 0.00 SBOX ATOM 2304 O3' CYT A 78 45.111 32.930 11.635 1.00 0.00 SBOX O ATOM 2305 P GUA A 79 45.077 33.965 12.807 1.00 0.00 SBOX P ATOM 2306 O1P GUA A 79 46.495 34.122 13.203 1.00 0.00 SBOX ATOM 2307 O2P GUA A 79 44.298 35.124 12.314 1.00 0.00 SBOX ATOM 2308 O5' GUA A 79 44.294 33.265 13.975 1.00 0.00 SBOX O ATOM 2309 C5' GUA A 79 42.912 33.023 13.727 1.00 0.00 SBOX C ATOM 2310 H5' GUA A 79 42.720 32.678 12.711 1.00 0.00 SBOX ATOM 2311 H5'' GUA A 79 42.440 33.998 13.843 1.00 0.00 SBOX ATOM 2312 C4' GUA A 79 42.165 32.060 14.665 1.00 0.00 SBOX C ATOM 2313 H4' GUA A 79 41.122 31.931 14.374 1.00 0.00 SBOX ATOM 2314 O4' GUA A 79 42.876 30.778 14.700 1.00 0.00 SBOX O ATOM 2315 C1' GUA A 79 42.818 30.256 16.014 1.00 0.00 SBOX C ATOM 2316 H1' GUA A 79 42.272 29.313 15.992 1.00 0.00 SBOX ATOM 2317 N9 GUA A 79 44.145 30.009 16.633 1.00 0.00 SBOX N ATOM 2318 C8 GUA A 79 45.380 30.474 16.239 1.00 0.00 SBOX C ATOM 2319 H8 GUA A 79 45.422 31.146 15.395 1.00 0.00 SBOX ATOM 2320 N7 GUA A 79 46.400 29.925 16.822 1.00 0.00 SBOX N ATOM 2321 C5 GUA A 79 45.734 29.127 17.823 1.00 0.00 SBOX C ATOM 2322 C6 GUA A 79 46.232 28.225 18.916 1.00 0.00 SBOX C ATOM 2323 O6 GUA A 79 47.371 27.946 19.260 1.00 0.00 SBOX O ATOM 2324 N1 GUA A 79 45.302 27.586 19.647 1.00 0.00 SBOX N ATOM 2325 H1 GUA A 79 45.691 27.185 20.488 1.00 0.00 SBOX ATOM 2326 C2 GUA A 79 44.023 27.820 19.468 1.00 0.00 SBOX C ATOM 2327 N2 GUA A 79 43.269 27.469 20.429 1.00 0.00 SBOX N ATOM 2328 H21 GUA A 79 43.782 27.085 21.210 1.00 0.00 SBOX ATOM 2329 H22 GUA A 79 42.323 27.820 20.388 1.00 0.00 SBOX ATOM 2330 N3 GUA A 79 43.492 28.504 18.495 1.00 0.00 SBOX N ATOM 2331 C4 GUA A 79 44.398 29.100 17.652 1.00 0.00 SBOX C ATOM 2332 C3' GUA A 79 42.168 32.653 16.122 1.00 0.00 SBOX C ATOM 2333 H3' GUA A 79 43.168 32.937 16.449 1.00 0.00 SBOX ATOM 2334 C2' GUA A 79 41.962 31.279 16.770 1.00 0.00 SBOX C ATOM 2335 H2'' GUA A 79 42.367 31.237 17.781 1.00 0.00 SBOX ATOM 2336 O2' GUA A 79 40.641 30.810 16.729 1.00 0.00 SBOX O ATOM 2337 H2' GUA A 79 40.405 30.554 17.624 1.00 0.00 SBOX ATOM 2338 O3' GUA A 79 41.102 33.575 16.297 1.00 0.00 SBOX O ATOM 2339 P URA A 80 41.312 34.840 17.171 1.00 0.00 SBOX P ATOM 2340 O1P URA A 80 42.503 35.591 16.751 1.00 0.00 SBOX ATOM 2341 O2P URA A 80 40.032 35.511 17.220 1.00 0.00 SBOX ATOM 2342 O5' URA A 80 41.584 34.169 18.612 1.00 0.00 SBOX O ATOM 2343 C5' URA A 80 40.471 33.786 19.404 1.00 0.00 SBOX C ATOM 2344 H5' URA A 80 39.735 33.278 18.780 1.00 0.00 SBOX ATOM 2345 H5'' URA A 80 39.961 34.689 19.741 1.00 0.00 SBOX ATOM 2346 C4' URA A 80 40.775 32.894 20.604 1.00 0.00 SBOX C ATOM 2347 H4' URA A 80 39.830 32.459 20.929 1.00 0.00 SBOX ATOM 2348 O4' URA A 80 41.688 31.884 20.118 1.00 0.00 SBOX O ATOM 2349 C1' URA A 80 42.637 31.503 21.136 1.00 0.00 SBOX C ATOM 2350 H1' URA A 80 42.429 30.511 21.537 1.00 0.00 SBOX ATOM 2351 N1 URA A 80 44.069 31.597 20.713 1.00 0.00 SBOX N ATOM 2352 C6 URA A 80 44.476 32.331 19.647 1.00 0.00 SBOX C ATOM 2353 H6 URA A 80 43.684 32.867 19.146 1.00 0.00 SBOX ATOM 2354 C5 URA A 80 45.778 32.320 19.238 1.00 0.00 SBOX C ATOM 2355 H5 URA A 80 46.076 32.848 18.344 1.00 0.00 SBOX ATOM 2356 C4 URA A 80 46.759 31.490 19.845 1.00 0.00 SBOX C ATOM 2357 O4 URA A 80 47.912 31.411 19.482 1.00 0.00 SBOX O ATOM 2358 N3 URA A 80 46.291 30.806 20.956 1.00 0.00 SBOX N ATOM 2359 H3 URA A 80 47.006 30.322 21.481 1.00 0.00 SBOX ATOM 2360 C2 URA A 80 45.009 30.863 21.434 1.00 0.00 SBOX C ATOM 2361 O2 URA A 80 44.644 30.251 22.444 1.00 0.00 SBOX O ATOM 2362 C3' URA A 80 41.592 33.536 21.728 1.00 0.00 SBOX C ATOM 2363 H3' URA A 80 42.295 34.137 21.151 1.00 0.00 SBOX ATOM 2364 C2' URA A 80 42.337 32.356 22.371 1.00 0.00 SBOX C ATOM 2365 H2'' URA A 80 43.206 32.675 22.947 1.00 0.00 SBOX ATOM 2366 O2' URA A 80 41.396 31.578 23.177 1.00 0.00 SBOX O ATOM 2367 H2' URA A 80 41.794 31.554 24.051 1.00 0.00 SBOX ATOM 2368 O3' URA A 80 40.818 34.293 22.687 1.00 0.00 SBOX O ATOM 2369 P URA A 81 41.520 35.267 23.731 1.00 0.00 SBOX P ATOM 2370 O1P URA A 81 42.697 35.909 23.077 1.00 0.00 SBOX ATOM 2371 O2P URA A 81 40.475 36.060 24.424 1.00 0.00 SBOX ATOM 2372 O5' URA A 81 42.116 34.317 24.852 1.00 0.00 SBOX O ATOM 2373 C5' URA A 81 41.354 33.589 25.767 1.00 0.00 SBOX C ATOM 2374 H5' URA A 81 40.439 33.118 25.407 1.00 0.00 SBOX ATOM 2375 H5'' URA A 81 41.035 34.259 26.565 1.00 0.00 SBOX ATOM 2376 C4' URA A 81 42.302 32.548 26.426 1.00 0.00 SBOX C ATOM 2377 H4' URA A 81 41.681 31.843 26.979 1.00 0.00 SBOX ATOM 2378 O4' URA A 81 43.093 31.845 25.548 1.00 0.00 SBOX O ATOM 2379 C1' URA A 81 44.299 31.512 26.155 1.00 0.00 SBOX C ATOM 2380 H1' URA A 81 44.312 30.424 26.219 1.00 0.00 SBOX ATOM 2381 N1 URA A 81 45.541 32.012 25.332 1.00 0.00 SBOX N ATOM 2382 C6 URA A 81 45.529 33.030 24.363 1.00 0.00 SBOX C ATOM 2383 H6 URA A 81 44.615 33.597 24.262 1.00 0.00 SBOX ATOM 2384 C5 URA A 81 46.563 33.268 23.481 1.00 0.00 SBOX C ATOM 2385 H5 URA A 81 46.463 34.147 22.862 1.00 0.00 SBOX ATOM 2386 C4 URA A 81 47.844 32.607 23.678 1.00 0.00 SBOX C ATOM 2387 O4 URA A 81 48.922 32.728 23.070 1.00 0.00 SBOX O ATOM 2388 N3 URA A 81 47.769 31.654 24.613 1.00 0.00 SBOX N ATOM 2389 H3 URA A 81 48.633 31.142 24.716 1.00 0.00 SBOX ATOM 2390 C2 URA A 81 46.766 31.388 25.562 1.00 0.00 SBOX C ATOM 2391 O2 URA A 81 46.975 30.623 26.494 1.00 0.00 SBOX O ATOM 2392 C3' URA A 81 43.218 33.218 27.370 1.00 0.00 SBOX C ATOM 2393 H3' URA A 81 43.544 34.080 26.789 1.00 0.00 SBOX ATOM 2394 C2' URA A 81 44.277 32.131 27.540 1.00 0.00 SBOX C ATOM 2395 H2'' URA A 81 45.233 32.590 27.793 1.00 0.00 SBOX ATOM 2396 O2' URA A 81 43.923 31.085 28.428 1.00 0.00 SBOX O ATOM 2397 H2' URA A 81 44.607 30.886 29.072 1.00 0.00 SBOX ATOM 2398 O3' URA A 81 42.654 33.624 28.686 1.00 0.00 SBOX O ATOM 2399 P GUA A 82 43.269 34.859 29.433 1.00 0.00 SBOX P ATOM 2400 O1P GUA A 82 43.541 35.901 28.482 1.00 0.00 SBOX ATOM 2401 O2P GUA A 82 42.415 35.301 30.574 1.00 0.00 SBOX ATOM 2402 O5' GUA A 82 44.626 34.249 30.009 1.00 0.00 SBOX O ATOM 2403 C5' GUA A 82 44.690 33.415 31.177 1.00 0.00 SBOX C ATOM 2404 H5' GUA A 82 44.170 32.461 31.095 1.00 0.00 SBOX ATOM 2405 H5'' GUA A 82 44.331 33.887 32.092 1.00 0.00 SBOX ATOM 2406 C4' GUA A 82 46.182 33.109 31.306 1.00 0.00 SBOX C ATOM 2407 H4' GUA A 82 46.167 32.480 32.196 1.00 0.00 SBOX ATOM 2408 O4' GUA A 82 46.690 32.395 30.110 1.00 0.00 SBOX O ATOM 2409 C1' GUA A 82 48.094 32.513 30.037 1.00 0.00 SBOX C ATOM 2410 H1' GUA A 82 48.518 31.565 30.367 1.00 0.00 SBOX ATOM 2411 N9 GUA A 82 48.475 32.980 28.653 1.00 0.00 SBOX N ATOM 2412 C8 GUA A 82 47.661 33.639 27.801 1.00 0.00 SBOX C ATOM 2413 H8 GUA A 82 46.712 34.062 28.097 1.00 0.00 SBOX ATOM 2414 N7 GUA A 82 48.315 33.870 26.638 1.00 0.00 SBOX N ATOM 2415 C5 GUA A 82 49.635 33.434 26.856 1.00 0.00 SBOX C ATOM 2416 C6 GUA A 82 50.848 33.459 26.057 1.00 0.00 SBOX C ATOM 2417 O6 GUA A 82 51.134 33.910 24.998 1.00 0.00 SBOX O ATOM 2418 N1 GUA A 82 51.937 32.870 26.676 1.00 0.00 SBOX N ATOM 2419 H1 GUA A 82 52.765 32.844 26.098 1.00 0.00 SBOX ATOM 2420 C2 GUA A 82 51.938 32.477 27.900 1.00 0.00 SBOX C ATOM 2421 N2 GUA A 82 52.995 31.823 28.377 1.00 0.00 SBOX N ATOM 2422 H21 GUA A 82 53.901 31.768 27.933 1.00 0.00 SBOX ATOM 2423 H22 GUA A 82 52.823 31.365 29.260 1.00 0.00 SBOX ATOM 2424 N3 GUA A 82 50.859 32.371 28.664 1.00 0.00 SBOX N ATOM 2425 C4 GUA A 82 49.739 32.919 28.105 1.00 0.00 SBOX C ATOM 2426 C3' GUA A 82 47.196 34.170 31.565 1.00 0.00 SBOX C ATOM 2427 H3' GUA A 82 46.880 35.056 31.014 1.00 0.00 SBOX ATOM 2428 C2' GUA A 82 48.487 33.539 31.117 1.00 0.00 SBOX C ATOM 2429 H2'' GUA A 82 49.272 34.229 30.807 1.00 0.00 SBOX ATOM 2430 O2' GUA A 82 49.101 32.902 32.222 1.00 0.00 SBOX O ATOM 2431 H2' GUA A 82 49.484 33.585 32.777 1.00 0.00 SBOX ATOM 2432 O3' GUA A 82 47.218 34.499 32.968 1.00 0.00 SBOX O ATOM 2433 P ADE A 83 48.071 35.747 33.479 1.00 0.00 SBOX P ATOM 2434 O1P ADE A 83 48.005 36.848 32.435 1.00 0.00 SBOX ATOM 2435 O2P ADE A 83 47.692 36.025 34.892 1.00 0.00 SBOX ATOM 2436 O5' ADE A 83 49.536 35.141 33.453 1.00 0.00 SBOX O ATOM 2437 C5' ADE A 83 50.648 35.955 33.410 1.00 0.00 SBOX C ATOM 2438 H5' ADE A 83 50.728 36.401 34.401 1.00 0.00 SBOX ATOM 2439 H5'' ADE A 83 50.442 36.779 32.726 1.00 0.00 SBOX ATOM 2440 C4' ADE A 83 51.888 35.149 32.960 1.00 0.00 SBOX C ATOM 2441 H4' ADE A 83 52.187 34.380 33.673 1.00 0.00 SBOX ATOM 2442 O4' ADE A 83 51.646 34.354 31.793 1.00 0.00 SBOX O ATOM 2443 C1' ADE A 83 52.797 34.496 31.005 1.00 0.00 SBOX C ATOM 2444 H1' ADE A 83 53.043 33.442 30.870 1.00 0.00 SBOX ATOM 2445 N9 ADE A 83 52.557 35.167 29.674 1.00 0.00 SBOX N ATOM 2446 C8 ADE A 83 51.424 35.707 29.229 1.00 0.00 SBOX C ATOM 2447 H8 ADE A 83 50.568 35.852 29.872 1.00 0.00 SBOX ATOM 2448 N7 ADE A 83 51.547 36.158 27.953 1.00 0.00 SBOX N ATOM 2449 C5 ADE A 83 52.865 35.949 27.631 1.00 0.00 SBOX C ATOM 2450 C6 ADE A 83 53.686 36.151 26.530 1.00 0.00 SBOX C ATOM 2451 N6 ADE A 83 53.420 36.714 25.366 1.00 0.00 SBOX N ATOM 2452 H61 ADE A 83 54.192 36.871 24.734 1.00 0.00 SBOX ATOM 2453 H62 ADE A 83 52.480 37.029 25.174 1.00 0.00 SBOX ATOM 2454 N1 ADE A 83 54.970 35.762 26.472 1.00 0.00 SBOX N ATOM 2455 C2 ADE A 83 55.455 35.127 27.463 1.00 0.00 SBOX C ATOM 2456 H2 ADE A 83 56.510 34.897 27.456 1.00 0.00 SBOX ATOM 2457 N3 ADE A 83 54.754 34.742 28.550 1.00 0.00 SBOX N ATOM 2458 C4 ADE A 83 53.461 35.142 28.560 1.00 0.00 SBOX C ATOM 2459 C3' ADE A 83 53.184 36.012 32.772 1.00 0.00 SBOX C ATOM 2460 H3' ADE A 83 52.901 36.881 32.177 1.00 0.00 SBOX ATOM 2461 C2' ADE A 83 53.931 35.105 31.832 1.00 0.00 SBOX C ATOM 2462 H2'' ADE A 83 54.547 35.726 31.181 1.00 0.00 SBOX ATOM 2463 O2' ADE A 83 54.666 34.107 32.568 1.00 0.00 SBOX O ATOM 2464 H2' ADE A 83 55.253 33.617 31.988 1.00 0.00 SBOX ATOM 2465 O3' ADE A 83 53.807 36.403 33.986 1.00 0.00 SBOX O ATOM 2466 P ADE A 84 54.752 37.747 34.102 1.00 0.00 SBOX P ATOM 2467 O1P ADE A 84 54.048 38.943 33.741 1.00 0.00 SBOX ATOM 2468 O2P ADE A 84 55.534 37.647 35.390 1.00 0.00 SBOX ATOM 2469 O5' ADE A 84 55.843 37.379 33.015 1.00 0.00 SBOX O ATOM 2470 C5' ADE A 84 56.896 36.452 33.207 1.00 0.00 SBOX C ATOM 2471 H5' ADE A 84 56.502 35.459 33.423 1.00 0.00 SBOX ATOM 2472 H5'' ADE A 84 57.499 36.817 34.038 1.00 0.00 SBOX ATOM 2473 C4' ADE A 84 57.809 36.489 31.948 1.00 0.00 SBOX C ATOM 2474 H4' ADE A 84 58.677 35.857 32.140 1.00 0.00 SBOX ATOM 2475 O4' ADE A 84 57.140 36.097 30.765 1.00 0.00 SBOX O ATOM 2476 C1' ADE A 84 57.336 36.969 29.676 1.00 0.00 SBOX C ATOM 2477 H1' ADE A 84 57.567 36.352 28.807 1.00 0.00 SBOX ATOM 2478 N9 ADE A 84 56.236 37.896 29.334 1.00 0.00 SBOX N ATOM 2479 C8 ADE A 84 55.111 38.151 30.071 1.00 0.00 SBOX C ATOM 2480 H8 ADE A 84 54.918 37.794 31.072 1.00 0.00 SBOX ATOM 2481 N7 ADE A 84 54.335 39.057 29.383 1.00 0.00 SBOX N ATOM 2482 C5 ADE A 84 55.030 39.252 28.153 1.00 0.00 SBOX C ATOM 2483 C6 ADE A 84 54.723 39.862 26.883 1.00 0.00 SBOX C ATOM 2484 N6 ADE A 84 53.642 40.515 26.625 1.00 0.00 SBOX N ATOM 2485 H61 ADE A 84 53.491 40.730 25.650 1.00 0.00 SBOX ATOM 2486 H62 ADE A 84 52.925 40.643 27.326 1.00 0.00 SBOX ATOM 2487 N1 ADE A 84 55.656 39.825 25.936 1.00 0.00 SBOX N ATOM 2488 C2 ADE A 84 56.737 39.102 26.139 1.00 0.00 SBOX C ATOM 2489 H2 ADE A 84 57.340 39.043 25.245 1.00 0.00 SBOX ATOM 2490 N3 ADE A 84 57.131 38.411 27.196 1.00 0.00 SBOX N ATOM 2491 C4 ADE A 84 56.199 38.514 28.155 1.00 0.00 SBOX C ATOM 2492 C3' ADE A 84 58.330 37.859 31.666 1.00 0.00 SBOX C ATOM 2493 H3' ADE A 84 57.591 38.574 32.029 1.00 0.00 SBOX ATOM 2494 C2' ADE A 84 58.553 37.802 30.124 1.00 0.00 SBOX C ATOM 2495 H2'' ADE A 84 58.617 38.831 29.771 1.00 0.00 SBOX ATOM 2496 O2' ADE A 84 59.733 37.130 29.582 1.00 0.00 SBOX O ATOM 2497 H2' ADE A 84 59.872 37.561 28.736 1.00 0.00 SBOX ATOM 2498 O3' ADE A 84 59.441 38.200 32.492 1.00 0.00 SBOX O ATOM 2499 P ADE A 85 59.980 39.703 32.680 1.00 0.00 SBOX P ATOM 2500 O1P ADE A 85 58.902 40.317 33.425 1.00 0.00 SBOX ATOM 2501 O2P ADE A 85 61.311 39.643 33.271 1.00 0.00 SBOX ATOM 2502 O5' ADE A 85 60.062 40.450 31.249 1.00 0.00 SBOX O ATOM 2503 C5' ADE A 85 61.135 40.327 30.301 1.00 0.00 SBOX C ATOM 2504 H5' ADE A 85 61.280 39.248 30.239 1.00 0.00 SBOX ATOM 2505 H5'' ADE A 85 62.074 40.665 30.740 1.00 0.00 SBOX ATOM 2506 C4' ADE A 85 61.050 40.888 28.838 1.00 0.00 SBOX C ATOM 2507 H4' ADE A 85 61.958 40.552 28.337 1.00 0.00 SBOX ATOM 2508 O4' ADE A 85 59.907 40.398 28.140 1.00 0.00 SBOX O ATOM 2509 C1' ADE A 85 59.225 41.488 27.535 1.00 0.00 SBOX C ATOM 2510 H1' ADE A 85 59.035 41.238 26.492 1.00 0.00 SBOX ATOM 2511 N9 ADE A 85 57.884 41.848 28.120 1.00 0.00 SBOX N ATOM 2512 C8 ADE A 85 57.427 41.509 29.375 1.00 0.00 SBOX C ATOM 2513 H8 ADE A 85 58.018 40.930 30.070 1.00 0.00 SBOX ATOM 2514 N7 ADE A 85 56.243 41.883 29.662 1.00 0.00 SBOX N ATOM 2515 C5 ADE A 85 55.914 42.689 28.567 1.00 0.00 SBOX C ATOM 2516 C6 ADE A 85 54.833 43.449 28.185 1.00 0.00 SBOX C ATOM 2517 N6 ADE A 85 53.731 43.608 28.842 1.00 0.00 SBOX N ATOM 2518 H61 ADE A 85 53.008 44.165 28.409 1.00 0.00 SBOX ATOM 2519 H62 ADE A 85 53.543 43.161 29.728 1.00 0.00 SBOX ATOM 2520 N1 ADE A 85 54.802 44.104 27.009 1.00 0.00 SBOX N ATOM 2521 C2 ADE A 85 55.876 44.067 26.249 1.00 0.00 SBOX C ATOM 2522 H2 ADE A 85 55.728 44.584 25.312 1.00 0.00 SBOX ATOM 2523 N3 ADE A 85 56.963 43.384 26.478 1.00 0.00 SBOX N ATOM 2524 C4 ADE A 85 56.909 42.711 27.698 1.00 0.00 SBOX C ATOM 2525 C3' ADE A 85 61.016 42.382 28.806 1.00 0.00 SBOX C ATOM 2526 H3' ADE A 85 60.486 42.510 29.750 1.00 0.00 SBOX ATOM 2527 C2' ADE A 85 60.115 42.728 27.613 1.00 0.00 SBOX C ATOM 2528 H2'' ADE A 85 59.533 43.594 27.928 1.00 0.00 SBOX ATOM 2529 O2' ADE A 85 60.770 42.832 26.344 1.00 0.00 SBOX O ATOM 2530 H2' ADE A 85 60.414 43.559 25.827 1.00 0.00 SBOX ATOM 2531 O3' ADE A 85 62.263 42.920 28.869 1.00 0.00 SBOX O ATOM 2532 P GUA A 86 62.521 44.337 29.559 1.00 0.00 SBOX P ATOM 2533 O1P GUA A 86 62.195 44.123 31.012 1.00 0.00 SBOX ATOM 2534 O2P GUA A 86 63.901 44.696 29.137 1.00 0.00 SBOX ATOM 2535 O5' GUA A 86 61.446 45.334 28.985 1.00 0.00 SBOX O ATOM 2536 C5' GUA A 86 61.743 46.086 27.829 1.00 0.00 SBOX C ATOM 2537 H5' GUA A 86 62.230 45.391 27.145 1.00 0.00 SBOX ATOM 2538 H5'' GUA A 86 62.404 46.912 28.091 1.00 0.00 SBOX ATOM 2539 C4' GUA A 86 60.519 46.747 27.193 1.00 0.00 SBOX C ATOM 2540 H4' GUA A 86 60.790 47.206 26.242 1.00 0.00 SBOX ATOM 2541 O4' GUA A 86 59.341 45.913 26.936 1.00 0.00 SBOX O ATOM 2542 C1' GUA A 86 58.139 46.720 26.920 1.00 0.00 SBOX C ATOM 2543 H1' GUA A 86 57.618 46.608 25.970 1.00 0.00 SBOX ATOM 2544 N9 GUA A 86 57.265 46.455 28.089 1.00 0.00 SBOX N ATOM 2545 C8 GUA A 86 57.566 45.728 29.188 1.00 0.00 SBOX C ATOM 2546 H8 GUA A 86 58.506 45.198 29.154 1.00 0.00 SBOX ATOM 2547 N7 GUA A 86 56.619 45.507 30.024 1.00 0.00 SBOX N ATOM 2548 C5 GUA A 86 55.558 46.231 29.481 1.00 0.00 SBOX C ATOM 2549 C6 GUA A 86 54.170 46.449 29.878 1.00 0.00 SBOX C ATOM 2550 O6 GUA A 86 53.547 45.936 30.826 1.00 0.00 SBOX O ATOM 2551 N1 GUA A 86 53.522 47.370 29.021 1.00 0.00 SBOX N ATOM 2552 H1 GUA A 86 52.584 47.655 29.262 1.00 0.00 SBOX ATOM 2553 C2 GUA A 86 54.071 47.818 27.887 1.00 0.00 SBOX C ATOM 2554 N2 GUA A 86 53.424 48.720 27.268 1.00 0.00 SBOX N ATOM 2555 H21 GUA A 86 52.549 49.082 27.621 1.00 0.00 SBOX ATOM 2556 H22 GUA A 86 53.891 49.093 26.454 1.00 0.00 SBOX ATOM 2557 N3 GUA A 86 55.224 47.648 27.430 1.00 0.00 SBOX N ATOM 2558 C4 GUA A 86 55.988 46.840 28.291 1.00 0.00 SBOX C ATOM 2559 C3' GUA A 86 59.933 47.977 27.834 1.00 0.00 SBOX C ATOM 2560 H3' GUA A 86 59.619 47.847 28.869 1.00 0.00 SBOX ATOM 2561 C2' GUA A 86 58.662 48.191 26.961 1.00 0.00 SBOX C ATOM 2562 H2'' GUA A 86 58.029 48.799 27.608 1.00 0.00 SBOX ATOM 2563 O2' GUA A 86 58.957 48.687 25.642 1.00 0.00 SBOX O ATOM 2564 H2' GUA A 86 58.098 48.695 25.215 1.00 0.00 SBOX ATOM 2565 O3' GUA A 86 60.803 49.077 27.761 1.00 0.00 SBOX O ATOM 2566 P ADE A 87 60.692 50.306 28.813 1.00 0.00 SBOX P ATOM 2567 O1P ADE A 87 60.566 49.591 30.095 1.00 0.00 SBOX ATOM 2568 O2P ADE A 87 61.811 51.255 28.583 1.00 0.00 SBOX ATOM 2569 O5' ADE A 87 59.323 51.118 28.533 1.00 0.00 SBOX O ATOM 2570 C5' ADE A 87 59.131 51.853 27.325 1.00 0.00 SBOX C ATOM 2571 H5' ADE A 87 59.359 51.144 26.529 1.00 0.00 SBOX ATOM 2572 H5'' ADE A 87 59.869 52.655 27.351 1.00 0.00 SBOX ATOM 2573 C4' ADE A 87 57.656 52.306 27.139 1.00 0.00 SBOX C ATOM 2574 H4' ADE A 87 57.516 52.998 26.308 1.00 0.00 SBOX ATOM 2575 O4' ADE A 87 56.742 51.212 26.969 1.00 0.00 SBOX O ATOM 2576 C1' ADE A 87 55.549 51.555 27.661 1.00 0.00 SBOX C ATOM 2577 H1' ADE A 87 54.646 51.344 27.088 1.00 0.00 SBOX ATOM 2578 N9 ADE A 87 55.509 50.740 28.918 1.00 0.00 SBOX N ATOM 2579 C8 ADE A 87 56.427 49.922 29.501 1.00 0.00 SBOX C ATOM 2580 H8 ADE A 87 57.428 49.833 29.105 1.00 0.00 SBOX ATOM 2581 N7 ADE A 87 56.038 49.315 30.597 1.00 0.00 SBOX N ATOM 2582 C5 ADE A 87 54.725 49.709 30.694 1.00 0.00 SBOX C ATOM 2583 C6 ADE A 87 53.605 49.346 31.561 1.00 0.00 SBOX C ATOM 2584 N6 ADE A 87 53.673 48.428 32.532 1.00 0.00 SBOX N ATOM 2585 H61 ADE A 87 52.759 48.279 32.934 1.00 0.00 SBOX ATOM 2586 H62 ADE A 87 54.514 47.869 32.499 1.00 0.00 SBOX ATOM 2587 N1 ADE A 87 52.373 49.818 31.392 1.00 0.00 SBOX N ATOM 2588 C2 ADE A 87 52.167 50.701 30.415 1.00 0.00 SBOX C ATOM 2589 H2 ADE A 87 51.138 50.985 30.252 1.00 0.00 SBOX ATOM 2590 N3 ADE A 87 53.078 51.184 29.558 1.00 0.00 SBOX N ATOM 2591 C4 ADE A 87 54.318 50.555 29.698 1.00 0.00 SBOX C ATOM 2592 C3' ADE A 87 57.143 53.101 28.390 1.00 0.00 SBOX C ATOM 2593 H3' ADE A 87 57.272 52.506 29.294 1.00 0.00 SBOX ATOM 2594 C2' ADE A 87 55.678 53.035 27.955 1.00 0.00 SBOX C ATOM 2595 H2'' ADE A 87 55.054 53.269 28.818 1.00 0.00 SBOX ATOM 2596 O2' ADE A 87 55.273 53.764 26.781 1.00 0.00 SBOX O ATOM 2597 H2' ADE A 87 54.966 53.151 26.109 1.00 0.00 SBOX ATOM 2598 O3' ADE A 87 57.710 54.342 28.531 1.00 0.00 SBOX O ATOM 2599 P URA A 88 58.111 54.955 29.954 1.00 0.00 SBOX P ATOM 2600 O1P URA A 88 58.768 53.919 30.784 1.00 0.00 SBOX ATOM 2601 O2P URA A 88 58.786 56.235 29.832 1.00 0.00 SBOX ATOM 2602 O5' URA A 88 56.656 55.278 30.600 1.00 0.00 SBOX O ATOM 2603 C5' URA A 88 55.852 56.230 29.944 1.00 0.00 SBOX C ATOM 2604 H5' URA A 88 55.644 55.813 28.959 1.00 0.00 SBOX ATOM 2605 H5'' URA A 88 56.471 57.098 29.719 1.00 0.00 SBOX ATOM 2606 C4' URA A 88 54.489 56.440 30.747 1.00 0.00 SBOX C ATOM 2607 H4' URA A 88 54.007 57.274 30.237 1.00 0.00 SBOX ATOM 2608 O4' URA A 88 53.725 55.206 30.613 1.00 0.00 SBOX O ATOM 2609 C1' URA A 88 53.100 54.946 31.909 1.00 0.00 SBOX C ATOM 2610 H1' URA A 88 52.015 54.835 31.903 1.00 0.00 SBOX ATOM 2611 N1 URA A 88 53.699 53.807 32.623 1.00 0.00 SBOX N ATOM 2612 C6 URA A 88 54.795 53.049 32.176 1.00 0.00 SBOX C ATOM 2613 H6 URA A 88 55.433 53.405 31.381 1.00 0.00 SBOX ATOM 2614 C5 URA A 88 55.136 51.867 32.762 1.00 0.00 SBOX C ATOM 2615 H5 URA A 88 56.005 51.282 32.502 1.00 0.00 SBOX ATOM 2616 C4 URA A 88 54.376 51.361 33.924 1.00 0.00 SBOX C ATOM 2617 O4 URA A 88 54.729 50.364 34.554 1.00 0.00 SBOX O ATOM 2618 N3 URA A 88 53.250 52.069 34.196 1.00 0.00 SBOX N ATOM 2619 H3 URA A 88 52.596 51.569 34.781 1.00 0.00 SBOX ATOM 2620 C2 URA A 88 52.945 53.284 33.663 1.00 0.00 SBOX C ATOM 2621 O2 URA A 88 51.949 53.895 34.092 1.00 0.00 SBOX O ATOM 2622 C3' URA A 88 54.665 56.785 32.182 1.00 0.00 SBOX C ATOM 2623 H3' URA A 88 55.419 56.133 32.623 1.00 0.00 SBOX ATOM 2624 C2' URA A 88 53.266 56.310 32.660 1.00 0.00 SBOX C ATOM 2625 H2'' URA A 88 53.329 56.186 33.741 1.00 0.00 SBOX ATOM 2626 O2' URA A 88 52.388 57.290 32.236 1.00 0.00 SBOX O ATOM 2627 H2' URA A 88 52.869 58.110 32.100 1.00 0.00 SBOX ATOM 2628 O3' URA A 88 55.153 58.057 32.404 1.00 0.00 SBOX O ATOM 2629 P GUA A 89 55.911 58.439 33.693 1.00 0.00 SBOX P ATOM 2630 O1P GUA A 89 56.919 57.359 33.956 1.00 0.00 SBOX ATOM 2631 O2P GUA A 89 56.295 59.843 33.576 1.00 0.00 SBOX ATOM 2632 O5' GUA A 89 54.809 58.380 34.790 1.00 0.00 SBOX O ATOM 2633 C5' GUA A 89 53.697 59.205 34.785 1.00 0.00 SBOX C ATOM 2634 H5' GUA A 89 53.262 59.421 33.809 1.00 0.00 SBOX ATOM 2635 H5'' GUA A 89 53.986 60.186 35.165 1.00 0.00 SBOX ATOM 2636 C4' GUA A 89 52.574 58.801 35.720 1.00 0.00 SBOX C ATOM 2637 H4' GUA A 89 51.772 59.529 35.597 1.00 0.00 SBOX ATOM 2638 O4' GUA A 89 52.162 57.438 35.432 1.00 0.00 SBOX O ATOM 2639 C1' GUA A 89 52.011 56.626 36.581 1.00 0.00 SBOX C ATOM 2640 H1' GUA A 89 51.082 56.060 36.645 1.00 0.00 SBOX ATOM 2641 N9 GUA A 89 53.042 55.610 36.891 1.00 0.00 SBOX N ATOM 2642 C8 GUA A 89 54.099 55.299 36.054 1.00 0.00 SBOX C ATOM 2643 H8 GUA A 89 54.498 55.974 35.312 1.00 0.00 SBOX ATOM 2644 N7 GUA A 89 54.743 54.224 36.257 1.00 0.00 SBOX N ATOM 2645 C5 GUA A 89 53.976 53.652 37.295 1.00 0.00 SBOX C ATOM 2646 C6 GUA A 89 54.066 52.371 37.956 1.00 0.00 SBOX C ATOM 2647 O6 GUA A 89 54.947 51.566 37.822 1.00 0.00 SBOX O ATOM 2648 N1 GUA A 89 53.240 52.288 39.039 1.00 0.00 SBOX N ATOM 2649 H1 GUA A 89 53.149 51.447 39.591 1.00 0.00 SBOX ATOM 2650 C2 GUA A 89 52.289 53.184 39.334 1.00 0.00 SBOX C ATOM 2651 N2 GUA A 89 51.435 52.745 40.178 1.00 0.00 SBOX N ATOM 2652 H21 GUA A 89 51.525 51.827 40.588 1.00 0.00 SBOX ATOM 2653 H22 GUA A 89 50.602 53.304 40.296 1.00 0.00 SBOX ATOM 2654 N3 GUA A 89 52.009 54.271 38.648 1.00 0.00 SBOX N ATOM 2655 C4 GUA A 89 52.950 54.504 37.673 1.00 0.00 SBOX C ATOM 2656 C3' GUA A 89 52.985 58.824 37.173 1.00 0.00 SBOX C ATOM 2657 H3' GUA A 89 54.046 58.577 37.207 1.00 0.00 SBOX ATOM 2658 C2' GUA A 89 52.043 57.694 37.704 1.00 0.00 SBOX C ATOM 2659 H2'' GUA A 89 52.457 57.324 38.642 1.00 0.00 SBOX ATOM 2660 O2' GUA A 89 50.718 58.168 37.809 1.00 0.00 SBOX O ATOM 2661 H2' GUA A 89 50.679 59.098 38.045 1.00 0.00 SBOX ATOM 2662 O3' GUA A 89 52.690 60.092 37.786 1.00 0.00 SBOX O ATOM 2663 P ADE A 90 53.604 60.684 38.955 1.00 0.00 SBOX P ATOM 2664 O1P ADE A 90 54.977 60.610 38.593 1.00 0.00 SBOX ATOM 2665 O2P ADE A 90 53.092 61.976 39.402 1.00 0.00 SBOX ATOM 2666 O5' ADE A 90 53.407 59.581 40.082 1.00 0.00 SBOX O ATOM 2667 C5' ADE A 90 52.141 59.480 40.769 1.00 0.00 SBOX C ATOM 2668 H5' ADE A 90 51.351 59.300 40.039 1.00 0.00 SBOX ATOM 2669 H5'' ADE A 90 51.844 60.385 41.299 1.00 0.00 SBOX ATOM 2670 C4' ADE A 90 52.317 58.356 41.749 1.00 0.00 SBOX C ATOM 2671 H4' ADE A 90 51.486 58.578 42.419 1.00 0.00 SBOX ATOM 2672 O4' ADE A 90 52.121 56.995 41.196 1.00 0.00 SBOX O ATOM 2673 C1' ADE A 90 53.072 56.110 41.770 1.00 0.00 SBOX C ATOM 2674 H1' ADE A 90 52.616 55.168 42.074 1.00 0.00 SBOX ATOM 2675 N9 ADE A 90 54.193 55.677 40.789 1.00 0.00 SBOX N ATOM 2676 C8 ADE A 90 54.841 56.344 39.824 1.00 0.00 SBOX C ATOM 2677 H8 ADE A 90 54.558 57.312 39.436 1.00 0.00 SBOX ATOM 2678 N7 ADE A 90 55.826 55.653 39.254 1.00 0.00 SBOX N ATOM 2679 C5 ADE A 90 55.825 54.493 39.994 1.00 0.00 SBOX C ATOM 2680 C6 ADE A 90 56.671 53.346 39.959 1.00 0.00 SBOX C ATOM 2681 N6 ADE A 90 57.633 53.080 39.107 1.00 0.00 SBOX N ATOM 2682 H61 ADE A 90 58.171 52.239 39.256 1.00 0.00 SBOX ATOM 2683 H62 ADE A 90 57.884 53.806 38.451 1.00 0.00 SBOX ATOM 2684 N1 ADE A 90 56.396 52.327 40.714 1.00 0.00 SBOX N ATOM 2685 C2 ADE A 90 55.485 52.516 41.634 1.00 0.00 SBOX C ATOM 2686 H2 ADE A 90 55.271 51.602 42.167 1.00 0.00 SBOX ATOM 2687 N3 ADE A 90 54.662 53.551 41.873 1.00 0.00 SBOX N ATOM 2688 C4 ADE A 90 54.853 54.507 40.929 1.00 0.00 SBOX C ATOM 2689 C3' ADE A 90 53.634 58.303 42.556 1.00 0.00 SBOX C ATOM 2690 H3' ADE A 90 54.524 58.438 41.942 1.00 0.00 SBOX ATOM 2691 C2' ADE A 90 53.649 56.809 42.991 1.00 0.00 SBOX C ATOM 2692 H2'' ADE A 90 54.646 56.534 43.334 1.00 0.00 SBOX ATOM 2693 O2' ADE A 90 52.775 56.507 44.136 1.00 0.00 SBOX O ATOM 2694 H2' ADE A 90 53.424 56.678 44.821 1.00 0.00 SBOX ATOM 2695 O3' ADE A 90 53.567 59.143 43.670 1.00 0.00 SBOX O ATOM 2696 P GUA A 91 54.979 59.574 44.410 1.00 0.00 SBOX P ATOM 2697 O1P GUA A 91 56.047 59.611 43.446 1.00 0.00 SBOX ATOM 2698 O2P GUA A 91 54.789 60.763 45.265 1.00 0.00 SBOX ATOM 2699 O5' GUA A 91 55.329 58.343 45.333 1.00 0.00 SBOX O ATOM 2700 C5' GUA A 91 54.697 58.094 46.587 1.00 0.00 SBOX C ATOM 2701 H5' GUA A 91 53.617 58.183 46.474 1.00 0.00 SBOX ATOM 2702 H5'' GUA A 91 55.014 58.764 47.386 1.00 0.00 SBOX ATOM 2703 C4' GUA A 91 55.021 56.631 46.989 1.00 0.00 SBOX C ATOM 2704 H4' GUA A 91 54.360 56.354 47.811 1.00 0.00 SBOX ATOM 2705 O4' GUA A 91 54.982 55.696 45.938 1.00 0.00 SBOX O ATOM 2706 C1' GUA A 91 55.908 54.710 46.226 1.00 0.00 SBOX C ATOM 2707 H1' GUA A 91 55.444 53.750 46.453 1.00 0.00 SBOX ATOM 2708 N9 GUA A 91 56.780 54.608 45.013 1.00 0.00 SBOX N ATOM 2709 C8 GUA A 91 57.141 55.589 44.106 1.00 0.00 SBOX C ATOM 2710 H8 GUA A 91 56.741 56.588 44.208 1.00 0.00 SBOX ATOM 2711 N7 GUA A 91 58.045 55.274 43.220 1.00 0.00 SBOX N ATOM 2712 C5 GUA A 91 58.233 53.872 43.445 1.00 0.00 SBOX C ATOM 2713 C6 GUA A 91 59.051 52.849 42.798 1.00 0.00 SBOX C ATOM 2714 O6 GUA A 91 59.827 52.857 41.867 1.00 0.00 SBOX O ATOM 2715 N1 GUA A 91 58.879 51.611 43.434 1.00 0.00 SBOX N ATOM 2716 H1 GUA A 91 59.064 50.749 42.942 1.00 0.00 SBOX ATOM 2717 C2 GUA A 91 58.273 51.452 44.581 1.00 0.00 SBOX C ATOM 2718 N2 GUA A 91 58.328 50.262 45.115 1.00 0.00 SBOX N ATOM 2719 H21 GUA A 91 58.927 49.499 44.834 1.00 0.00 SBOX ATOM 2720 H22 GUA A 91 57.747 50.086 45.922 1.00 0.00 SBOX ATOM 2721 N3 GUA A 91 57.646 52.334 45.330 1.00 0.00 SBOX N ATOM 2722 C4 GUA A 91 57.544 53.541 44.624 1.00 0.00 SBOX C ATOM 2723 C3' GUA A 91 56.466 56.564 47.461 1.00 0.00 SBOX C ATOM 2724 H3' GUA A 91 57.109 56.942 46.666 1.00 0.00 SBOX ATOM 2725 C2' GUA A 91 56.613 55.021 47.589 1.00 0.00 SBOX C ATOM 2726 H2'' GUA A 91 57.642 54.668 47.519 1.00 0.00 SBOX ATOM 2727 O2' GUA A 91 55.907 54.510 48.612 1.00 0.00 SBOX O ATOM 2728 H2' GUA A 91 55.802 53.564 48.486 1.00 0.00 SBOX ATOM 2729 O3' GUA A 91 56.860 57.119 48.748 1.00 0.00 SBOX O ATOM 2730 P CYT A 92 58.281 57.516 49.198 1.00 0.00 SBOX P ATOM 2731 O1P CYT A 92 58.932 58.524 48.288 1.00 0.00 SBOX ATOM 2732 O2P CYT A 92 58.110 57.731 50.645 1.00 0.00 SBOX ATOM 2733 O5' CYT A 92 59.031 56.060 49.077 1.00 0.00 SBOX O ATOM 2734 C5' CYT A 92 60.275 55.884 48.400 1.00 0.00 SBOX C ATOM 2735 H5' CYT A 92 61.026 56.367 49.026 1.00 0.00 SBOX ATOM 2736 H5'' CYT A 92 60.297 56.426 47.454 1.00 0.00 SBOX ATOM 2737 C4' CYT A 92 60.626 54.433 48.272 1.00 0.00 SBOX C ATOM 2738 H4' CYT A 92 60.129 53.935 49.105 1.00 0.00 SBOX ATOM 2739 O4' CYT A 92 60.146 54.014 47.021 1.00 0.00 SBOX O ATOM 2740 C1' CYT A 92 60.911 53.099 46.393 1.00 0.00 SBOX C ATOM 2741 H1' CYT A 92 60.276 52.234 46.207 1.00 0.00 SBOX ATOM 2742 N1 CYT A 92 61.445 53.671 45.090 1.00 0.00 SBOX N ATOM 2743 C6 CYT A 92 61.224 55.051 44.779 1.00 0.00 SBOX C ATOM 2744 H6 CYT A 92 60.446 55.634 45.249 1.00 0.00 SBOX ATOM 2745 C5 CYT A 92 61.815 55.543 43.660 1.00 0.00 SBOX C ATOM 2746 H5 CYT A 92 61.522 56.552 43.409 1.00 0.00 SBOX ATOM 2747 C4 CYT A 92 62.651 54.694 42.863 1.00 0.00 SBOX C ATOM 2748 N4 CYT A 92 63.045 55.096 41.762 1.00 0.00 SBOX N ATOM 2749 H41 CYT A 92 63.433 54.410 41.131 1.00 0.00 SBOX ATOM 2750 H42 CYT A 92 62.803 56.037 41.486 1.00 0.00 SBOX ATOM 2751 N3 CYT A 92 62.915 53.488 43.212 1.00 0.00 SBOX N ATOM 2752 C2 CYT A 92 62.296 52.926 44.275 1.00 0.00 SBOX C ATOM 2753 O2 CYT A 92 62.419 51.713 44.426 1.00 0.00 SBOX O ATOM 2754 C3' CYT A 92 62.133 54.072 48.208 1.00 0.00 SBOX C ATOM 2755 H3' CYT A 92 62.691 54.773 47.588 1.00 0.00 SBOX ATOM 2756 C2' CYT A 92 61.991 52.785 47.412 1.00 0.00 SBOX C ATOM 2757 H2'' CYT A 92 62.910 52.497 46.902 1.00 0.00 SBOX ATOM 2758 O2' CYT A 92 61.639 51.569 48.102 1.00 0.00 SBOX O ATOM 2759 H2' CYT A 92 61.514 50.913 47.413 1.00 0.00 SBOX ATOM 2760 O3' CYT A 92 62.650 54.014 49.608 1.00 0.00 SBOX O ATOM 2761 P CYT A 93 64.252 54.423 49.912 1.00 0.00 SBOX P ATOM 2762 O1P CYT A 93 64.518 55.736 49.308 1.00 0.00 SBOX ATOM 2763 O2P CYT A 93 64.527 54.196 51.354 1.00 0.00 SBOX ATOM 2764 O5' CYT A 93 64.959 53.324 48.973 1.00 0.00 SBOX O ATOM 2765 C5' CYT A 93 65.080 51.933 49.395 1.00 0.00 SBOX C ATOM 2766 H5' CYT A 93 64.104 51.450 49.445 1.00 0.00 SBOX ATOM 2767 H5'' CYT A 93 65.652 51.883 50.322 1.00 0.00 SBOX ATOM 2768 C4' CYT A 93 65.919 51.159 48.306 1.00 0.00 SBOX C ATOM 2769 H4' CYT A 93 66.172 50.180 48.713 1.00 0.00 SBOX ATOM 2770 O4' CYT A 93 65.381 51.148 46.996 1.00 0.00 SBOX O ATOM 2771 C1' CYT A 93 66.490 51.042 46.162 1.00 0.00 SBOX C ATOM 2772 H1' CYT A 93 66.470 50.116 45.587 1.00 0.00 SBOX ATOM 2773 N1 CYT A 93 66.459 52.277 45.338 1.00 0.00 SBOX N ATOM 2774 C6 CYT A 93 65.720 53.384 45.584 1.00 0.00 SBOX C ATOM 2775 H6 CYT A 93 65.242 53.422 46.552 1.00 0.00 SBOX ATOM 2776 C5 CYT A 93 65.681 54.361 44.644 1.00 0.00 SBOX C ATOM 2777 H5 CYT A 93 65.044 55.216 44.814 1.00 0.00 SBOX ATOM 2778 C4 CYT A 93 66.319 54.147 43.359 1.00 0.00 SBOX C ATOM 2779 N4 CYT A 93 66.362 55.128 42.385 1.00 0.00 SBOX N ATOM 2780 H41 CYT A 93 66.814 54.972 41.495 1.00 0.00 SBOX ATOM 2781 H42 CYT A 93 65.741 55.904 42.566 1.00 0.00 SBOX ATOM 2782 N3 CYT A 93 67.144 53.129 43.171 1.00 0.00 SBOX N ATOM 2783 C2 CYT A 93 67.171 52.191 44.138 1.00 0.00 SBOX C ATOM 2784 O2 CYT A 93 67.836 51.213 43.858 1.00 0.00 SBOX O ATOM 2785 C3' CYT A 93 67.273 51.800 48.237 1.00 0.00 SBOX C ATOM 2786 H3' CYT A 93 67.130 52.864 48.049 1.00 0.00 SBOX ATOM 2787 C2' CYT A 93 67.792 51.130 46.961 1.00 0.00 SBOX C ATOM 2788 H2'' CYT A 93 68.513 51.728 46.402 1.00 0.00 SBOX ATOM 2789 O2' CYT A 93 68.188 49.796 47.141 1.00 0.00 SBOX O ATOM 2790 H2' CYT A 93 68.339 49.234 46.378 1.00 0.00 SBOX ATOM 2791 O3' CYT A 93 68.077 51.660 49.434 1.00 0.00 SBOX O ATOM 2792 O3' ADE A 94 73.999 52.235 47.559 1.00 0.00 SBOX O ATOM 2793 H3T ADE A 94 74.514 52.155 46.752 1.00 0.00 SBOX ATOM 2794 P ADE A 94 69.096 52.733 49.939 1.00 0.00 SBOX P ATOM 2795 O1P ADE A 94 68.509 54.074 49.901 1.00 0.00 SBOX ATOM 2796 O2P ADE A 94 69.567 52.205 51.213 1.00 0.00 SBOX ATOM 2797 O5' ADE A 94 70.298 52.711 48.820 1.00 0.00 SBOX O ATOM 2798 C5' ADE A 94 70.950 51.530 48.404 1.00 0.00 SBOX C ATOM 2799 H5' ADE A 94 70.095 50.876 48.236 1.00 0.00 SBOX ATOM 2800 H5'' ADE A 94 71.611 51.188 49.200 1.00 0.00 SBOX ATOM 2801 C4' ADE A 94 71.726 51.552 47.133 1.00 0.00 SBOX C ATOM 2802 H4' ADE A 94 72.335 50.648 47.161 1.00 0.00 SBOX ATOM 2803 O4' ADE A 94 70.809 51.614 46.005 1.00 0.00 SBOX O ATOM 2804 C1' ADE A 94 71.289 52.540 45.080 1.00 0.00 SBOX C ATOM 2805 H1' ADE A 94 71.391 52.160 44.063 1.00 0.00 SBOX ATOM 2806 N9 ADE A 94 70.440 53.675 44.963 1.00 0.00 SBOX N ATOM 2807 C8 ADE A 94 69.678 54.287 45.918 1.00 0.00 SBOX C ATOM 2808 H8 ADE A 94 69.481 53.811 46.867 1.00 0.00 SBOX ATOM 2809 N7 ADE A 94 69.117 55.367 45.516 1.00 0.00 SBOX N ATOM 2810 C5 ADE A 94 69.416 55.463 44.154 1.00 0.00 SBOX C ATOM 2811 C6 ADE A 94 69.285 56.389 43.097 1.00 0.00 SBOX C ATOM 2812 N6 ADE A 94 68.707 57.491 43.191 1.00 0.00 SBOX N ATOM 2813 H61 ADE A 94 68.466 57.830 42.271 1.00 0.00 SBOX ATOM 2814 H62 ADE A 94 68.172 57.695 44.023 1.00 0.00 SBOX ATOM 2815 N1 ADE A 94 69.665 56.087 41.849 1.00 0.00 SBOX N ATOM 2816 C2 ADE A 94 70.280 54.885 41.627 1.00 0.00 SBOX C ATOM 2817 H2 ADE A 94 70.564 54.668 40.607 1.00 0.00 SBOX ATOM 2818 N3 ADE A 94 70.554 54.003 42.542 1.00 0.00 SBOX N ATOM 2819 C4 ADE A 94 70.158 54.345 43.807 1.00 0.00 SBOX C ATOM 2820 C3' ADE A 94 72.699 52.665 47.083 1.00 0.00 SBOX C ATOM 2821 H3' ADE A 94 72.408 53.576 47.607 1.00 0.00 SBOX ATOM 2822 C2' ADE A 94 72.699 52.975 45.558 1.00 0.00 SBOX C ATOM 2823 H2'' ADE A 94 72.848 54.045 45.413 1.00 0.00 SBOX ATOM 2824 O2' ADE A 94 73.780 52.436 44.908 1.00 0.00 SBOX O ATOM 2825 H2' ADE A 94 73.580 52.384 43.971 1.00 0.00 SBOX ATOM 2826 OH2 TIP3X 401 60.093 11.118 13.881 1.00 0.00 SOLV O ATOM 2827 H1 TIP3X 401 59.363 10.782 14.401 1.00 0.00 SOLV ATOM 2828 H2 TIP3X 401 59.992 12.069 13.911 1.00 0.00 SOLV ATOM 2829 OH2 TIP3X 402 54.745 65.684 50.768 1.00 0.00 SOLV O ATOM 2830 H1 TIP3X 402 53.896 65.461 51.151 1.00 0.00 SOLV ATOM 2831 H2 TIP3X 402 54.856 65.060 50.051 1.00 0.00 SOLV ATOM 2832 OH2 TIP3X 403 46.770 33.689 6.645 1.00 0.00 SOLV O ATOM 2833 H1 TIP3X 403 47.182 34.381 7.163 1.00 0.00 SOLV ATOM 2834 H2 TIP3X 403 45.856 33.688 6.929 1.00 0.00 SOLV ATOM 2835 OH2 TIP3X 404 86.204 36.312 24.517 1.00 0.00 SOLV O ATOM 2836 H1 TIP3X 404 86.400 36.323 23.580 1.00 0.00 SOLV ATOM 2837 H2 TIP3X 404 86.089 37.233 24.749 1.00 0.00 SOLV ATOM 2838 OH2 TIP3X 405 25.942 78.689 31.427 1.00 0.00 SOLV O ATOM 2839 H1 TIP3X 405 26.430 77.868 31.365 1.00 0.00 SOLV ATOM 2840 H2 TIP3X 405 25.965 79.050 30.541 1.00 0.00 SOLV ATOM 2841 OH2 TIP3X 406 44.191 57.349 28.722 1.00 0.00 SOLV O ATOM 2842 H1 TIP3X 406 43.559 57.886 29.200 1.00 0.00 SOLV ATOM 2843 H2 TIP3X 406 44.782 57.981 28.312 1.00 0.00 SOLV ATOM 2844 OH2 TIP3X 407 25.910 41.275 24.537 1.00 0.00 SOLV O ATOM 2845 H1 TIP3X 407 26.783 41.481 24.870 1.00 0.00 SOLV ATOM 2846 H2 TIP3X 407 26.069 40.843 23.698 1.00 0.00 SOLV ATOM 2847 OH2 TIP3X 408 87.348 53.392 6.472 1.00 0.00 SOLV O ATOM 2848 H1 TIP3X 408 87.705 52.836 7.165 1.00 0.00 SOLV ATOM 2849 H2 TIP3X 408 86.494 53.671 6.804 1.00 0.00 SOLV ATOM 2850 OH2 TIP3X 409 55.575 48.781 21.225 1.00 0.00 SOLV O ATOM 2851 H1 TIP3X 409 56.033 48.978 20.408 1.00 0.00 SOLV ATOM 2852 H2 TIP3X 409 55.452 47.832 21.208 1.00 0.00 SOLV ATOM 2853 OH2 TIP3X 410 60.734 89.827 -5.443 1.00 0.00 SOLV O ATOM 2854 H1 TIP3X 410 61.126 89.416 -4.672 1.00 0.00 SOLV ATOM 2855 H2 TIP3X 410 61.460 90.284 -5.867 1.00 0.00 SOLV ATOM 2856 OH2 TIP3X 411 60.852 22.323 38.672 1.00 0.00 SOLV O ATOM 2857 H1 TIP3X 411 60.235 21.591 38.676 1.00 0.00 SOLV ATOM 2858 H2 TIP3X 411 60.924 22.570 37.750 1.00 0.00 SOLV ATOM 2859 OH2 TIP3X 412 77.234 21.433 -0.174 1.00 0.00 SOLV O ATOM 2860 H1 TIP3X 412 77.191 20.521 0.113 1.00 0.00 SOLV ATOM 2861 H2 TIP3X 412 78.108 21.525 -0.553 1.00 0.00 SOLV ATOM 2862 OH2 TIP3X 413 56.916 36.355 24.461 1.00 0.00 SOLV O ATOM 2863 H1 TIP3X 413 56.364 36.476 25.233 1.00 0.00 SOLV ATOM 2864 H2 TIP3X 413 56.299 36.303 23.731 1.00 0.00 SOLV ATOM 2865 OH2 TIP3X 415 52.673 54.959 26.781 1.00 0.00 SOLV O ATOM 2866 H1 TIP3X 415 53.455 54.457 27.008 1.00 0.00 SOLV ATOM 2867 H2 TIP3X 415 52.684 55.001 25.825 1.00 0.00 SOLV ATOM 2868 OH2 TIP3X 416 32.861 65.095 -12.159 1.00 0.00 SOLV O ATOM 2869 H1 TIP3X 416 32.016 64.651 -12.097 1.00 0.00 SOLV ATOM 2870 H2 TIP3X 416 33.506 64.412 -11.974 1.00 0.00 SOLV ATOM 2871 OH2 TIP3X 417 53.911 45.084 46.820 1.00 0.00 SOLV O ATOM 2872 H1 TIP3X 417 54.477 44.792 47.534 1.00 0.00 SOLV ATOM 2873 H2 TIP3X 417 54.308 44.712 46.032 1.00 0.00 SOLV ATOM 2874 OH2 TIP3X 418 29.883 54.826 26.100 1.00 0.00 SOLV O ATOM 2875 H1 TIP3X 418 30.293 55.685 26.199 1.00 0.00 SOLV ATOM 2876 H2 TIP3X 418 30.367 54.411 25.385 1.00 0.00 SOLV ATOM 2877 OH2 TIP3X 419 58.895 36.655 15.570 1.00 0.00 SOLV O ATOM 2878 H1 TIP3X 419 58.440 37.391 15.161 1.00 0.00 SOLV ATOM 2879 H2 TIP3X 419 58.725 36.758 16.507 1.00 0.00 SOLV ATOM 2880 OH2 TIP3X 420 45.579 52.366 19.474 1.00 0.00 SOLV O ATOM 2881 H1 TIP3X 420 46.456 52.088 19.209 1.00 0.00 SOLV ATOM 2882 H2 TIP3X 420 45.246 52.858 18.724 1.00 0.00 SOLV ATOM 2883 OH2 TIP3X 421 48.332 32.133 43.983 1.00 0.00 SOLV O ATOM 2884 H1 TIP3X 421 49.008 32.808 43.913 1.00 0.00 SOLV ATOM 2885 H2 TIP3X 421 47.815 32.228 43.183 1.00 0.00 SOLV ATOM 2886 OH2 TIP3X 422 27.626 76.655 45.588 1.00 0.00 SOLV O ATOM 2887 H1 TIP3X 422 28.200 76.063 45.102 1.00 0.00 SOLV ATOM 2888 H2 TIP3X 422 27.733 77.502 45.156 1.00 0.00 SOLV ATOM 2889 OH2 TIP3X 423 49.473 54.261 53.940 1.00 0.00 SOLV O ATOM 2890 H1 TIP3X 423 48.633 54.495 54.336 1.00 0.00 SOLV ATOM 2891 H2 TIP3X 423 49.878 55.100 53.723 1.00 0.00 SOLV ATOM 2892 OH2 TIP3X 424 68.936 49.643 22.858 1.00 0.00 SOLV O ATOM 2893 H1 TIP3X 424 68.244 50.284 22.695 1.00 0.00 SOLV ATOM 2894 H2 TIP3X 424 69.732 50.061 22.527 1.00 0.00 SOLV ATOM 2895 OH2 TIP3X 425 27.015 8.698 -10.058 1.00 0.00 SOLV O ATOM 2896 H1 TIP3X 425 27.290 9.473 -10.547 1.00 0.00 SOLV ATOM 2897 H2 TIP3X 425 26.475 9.042 -9.346 1.00 0.00 SOLV ATOM 2898 OH2 TIP3X 426 25.703 25.375 67.431 1.00 0.00 SOLV O ATOM 2899 H1 TIP3X 426 25.122 25.748 66.768 1.00 0.00 SOLV ATOM 2900 H2 TIP3X 426 25.845 24.472 67.144 1.00 0.00 SOLV ATOM 2901 OH2 TIP3X 427 44.343 24.900 13.056 1.00 0.00 SOLV O ATOM 2902 H1 TIP3X 427 44.636 25.811 13.085 1.00 0.00 SOLV ATOM 2903 H2 TIP3X 427 45.151 24.388 13.066 1.00 0.00 SOLV ATOM 2904 OH2 TIP3X 428 71.742 26.962 18.060 1.00 0.00 SOLV O ATOM 2905 H1 TIP3X 428 71.422 26.980 17.158 1.00 0.00 SOLV ATOM 2906 H2 TIP3X 428 71.164 27.563 18.532 1.00 0.00 SOLV ATOM 2907 OH2 TIP3X 429 71.747 32.777 22.474 1.00 0.00 SOLV O ATOM 2908 H1 TIP3X 429 71.665 33.515 21.870 1.00 0.00 SOLV ATOM 2909 H2 TIP3X 429 70.915 32.310 22.396 1.00 0.00 SOLV ATOM 2910 OH2 TIP3X 430 60.992 40.950 -9.161 1.00 0.00 SOLV O ATOM 2911 H1 TIP3X 430 60.340 41.557 -8.812 1.00 0.00 SOLV ATOM 2912 H2 TIP3X 430 61.655 40.888 -8.473 1.00 0.00 SOLV ATOM 2913 OH2 TIP3X 431 24.144 7.839 36.704 1.00 0.00 SOLV O ATOM 2914 H1 TIP3X 431 24.568 7.209 37.287 1.00 0.00 SOLV ATOM 2915 H2 TIP3X 431 24.586 7.723 35.863 1.00 0.00 SOLV ATOM 2916 OH2 TIP3X 432 32.984 26.256 28.017 1.00 0.00 SOLV O ATOM 2917 H1 TIP3X 432 33.192 25.433 28.460 1.00 0.00 SOLV ATOM 2918 H2 TIP3X 432 33.191 26.933 28.661 1.00 0.00 SOLV ATOM 2919 OH2 TIP3X 433 81.767 30.456 -14.750 1.00 0.00 SOLV O ATOM 2920 H1 TIP3X 433 81.374 29.620 -14.998 1.00 0.00 SOLV ATOM 2921 H2 TIP3X 433 81.849 30.409 -13.797 1.00 0.00 SOLV ATOM 2922 OH2 TIP3X 434 79.101 65.885 28.155 1.00 0.00 SOLV O ATOM 2923 H1 TIP3X 434 78.465 66.287 28.747 1.00 0.00 SOLV ATOM 2924 H2 TIP3X 434 78.783 64.991 28.032 1.00 0.00 SOLV ATOM 2925 OH2 TIP3X 435 67.282 13.125 55.038 1.00 0.00 SOLV O ATOM 2926 H1 TIP3X 435 67.591 13.838 55.598 1.00 0.00 SOLV ATOM 2927 H2 TIP3X 435 66.881 13.566 54.289 1.00 0.00 SOLV ATOM 2928 OH2 TIP3X 436 55.116 36.427 22.344 1.00 0.00 SOLV O ATOM 2929 H1 TIP3X 436 54.730 35.708 21.845 1.00 0.00 SOLV ATOM 2930 H2 TIP3X 436 54.496 37.150 22.243 1.00 0.00 SOLV ATOM 2931 OH2 TIP3X 437 64.634 29.805 29.646 1.00 0.00 SOLV O ATOM 2932 H1 TIP3X 437 64.186 30.638 29.795 1.00 0.00 SOLV ATOM 2933 H2 TIP3X 437 63.928 29.177 29.495 1.00 0.00 SOLV ATOM 2934 OH2 TIP3X 438 43.635 55.791 -6.076 1.00 0.00 SOLV O ATOM 2935 H1 TIP3X 438 44.048 54.939 -5.935 1.00 0.00 SOLV ATOM 2936 H2 TIP3X 438 44.165 56.402 -5.564 1.00 0.00 SOLV ATOM 2937 OH2 TIP3X 439 90.393 9.798 -1.504 1.00 0.00 SOLV O ATOM 2938 H1 TIP3X 439 90.328 8.843 -1.512 1.00 0.00 SOLV ATOM 2939 H2 TIP3X 439 89.979 10.073 -2.322 1.00 0.00 SOLV ATOM 2940 OH2 TIP3X 440 44.839 70.058 17.455 1.00 0.00 SOLV O ATOM 2941 H1 TIP3X 440 45.055 69.126 17.486 1.00 0.00 SOLV ATOM 2942 H2 TIP3X 440 45.080 70.389 18.320 1.00 0.00 SOLV ATOM 2943 OH2 TIP3X 441 50.708 55.335 20.570 1.00 0.00 SOLV O ATOM 2944 H1 TIP3X 441 50.772 55.060 19.656 1.00 0.00 SOLV ATOM 2945 H2 TIP3X 441 51.366 56.023 20.661 1.00 0.00 SOLV ATOM 2946 OH2 TIP3X 442 29.120 6.257 27.912 1.00 0.00 SOLV O ATOM 2947 H1 TIP3X 442 29.044 7.188 27.705 1.00 0.00 SOLV ATOM 2948 H2 TIP3X 442 28.452 5.836 27.370 1.00 0.00 SOLV ATOM 2949 OH2 TIP3X 443 48.409 54.055 20.840 1.00 0.00 SOLV O ATOM 2950 H1 TIP3X 443 49.229 54.519 20.676 1.00 0.00 SOLV ATOM 2951 H2 TIP3X 443 48.488 53.243 20.340 1.00 0.00 SOLV ATOM 2952 OH2 TIP3X 444 27.183 19.391 -11.947 1.00 0.00 SOLV O ATOM 2953 H1 TIP3X 444 27.560 19.435 -11.068 1.00 0.00 SOLV ATOM 2954 H2 TIP3X 444 27.033 20.305 -12.189 1.00 0.00 SOLV ATOM 2955 OH2 TIP3X 445 71.645 50.037 15.905 1.00 0.00 SOLV O ATOM 2956 H1 TIP3X 445 70.824 50.024 15.413 1.00 0.00 SOLV ATOM 2957 H2 TIP3X 445 71.551 49.334 16.548 1.00 0.00 SOLV ATOM 2958 OH2 TIP3X 446 80.867 96.474 41.811 1.00 0.00 SOLV O ATOM 2959 H1 TIP3X 446 79.931 96.642 41.701 1.00 0.00 SOLV ATOM 2960 H2 TIP3X 446 81.186 96.303 40.925 1.00 0.00 SOLV ATOM 2961 OH2 TIP3X 447 52.592 27.796 20.717 1.00 0.00 SOLV O ATOM 2962 H1 TIP3X 447 51.714 28.178 20.701 1.00 0.00 SOLV ATOM 2963 H2 TIP3X 447 53.181 28.543 20.610 1.00 0.00 SOLV ATOM 2964 OH2 TIP3X 448 60.330 52.689 -3.424 1.00 0.00 SOLV O ATOM 2965 H1 TIP3X 448 60.025 53.282 -4.111 1.00 0.00 SOLV ATOM 2966 H2 TIP3X 448 59.555 52.527 -2.886 1.00 0.00 SOLV ATOM 2967 OH2 TIP3X 449 68.855 52.488 56.486 1.00 0.00 SOLV O ATOM 2968 H1 TIP3X 449 69.091 52.499 55.559 1.00 0.00 SOLV ATOM 2969 H2 TIP3X 449 68.325 53.276 56.608 1.00 0.00 SOLV ATOM 2970 OH2 TIP3X 450 35.961 90.267 10.311 1.00 0.00 SOLV O ATOM 2971 H1 TIP3X 450 35.764 89.398 10.660 1.00 0.00 SOLV ATOM 2972 H2 TIP3X 450 35.562 90.873 10.935 1.00 0.00 SOLV ATOM 2973 OH2 TIP3X 451 40.463 63.415 63.691 1.00 0.00 SOLV O ATOM 2974 H1 TIP3X 451 41.031 64.049 63.253 1.00 0.00 SOLV ATOM 2975 H2 TIP3X 451 40.503 63.656 64.617 1.00 0.00 SOLV ATOM 2976 OH2 TIP3X 452 65.673 76.921 66.942 1.00 0.00 SOLV O ATOM 2977 H1 TIP3X 452 66.549 77.080 67.294 1.00 0.00 SOLV ATOM 2978 H2 TIP3X 452 65.787 76.951 65.992 1.00 0.00 SOLV ATOM 2979 OH2 TIP3X 453 57.626 71.120 25.984 1.00 0.00 SOLV O ATOM 2980 H1 TIP3X 453 57.166 70.281 25.949 1.00 0.00 SOLV ATOM 2981 H2 TIP3X 453 58.034 71.206 25.122 1.00 0.00 SOLV ATOM 2982 OH2 TIP3X 454 57.344 50.822 22.061 1.00 0.00 SOLV O ATOM 2983 H1 TIP3X 454 57.326 51.193 21.179 1.00 0.00 SOLV ATOM 2984 H2 TIP3X 454 56.812 50.029 21.998 1.00 0.00 SOLV ATOM 2985 OH2 TIP3X 455 52.997 55.372 23.888 1.00 0.00 SOLV O ATOM 2986 H1 TIP3X 455 52.732 55.954 23.175 1.00 0.00 SOLV ATOM 2987 H2 TIP3X 455 53.689 54.830 23.510 1.00 0.00 SOLV ATOM 2988 OH2 TIP3X 456 35.498 35.567 37.238 1.00 0.00 SOLV O ATOM 2989 H1 TIP3X 456 36.077 34.915 36.843 1.00 0.00 SOLV ATOM 2990 H2 TIP3X 456 35.786 36.400 36.866 1.00 0.00 SOLV ATOM 2991 OH2 TIP3X 457 64.842 27.614 11.526 1.00 0.00 SOLV O ATOM 2992 H1 TIP3X 457 64.540 28.284 12.140 1.00 0.00 SOLV ATOM 2993 H2 TIP3X 457 64.127 27.527 10.896 1.00 0.00 SOLV ATOM 2994 OH2 TIP3X 458 48.314 20.634 45.791 1.00 0.00 SOLV O ATOM 2995 H1 TIP3X 458 47.753 20.537 46.560 1.00 0.00 SOLV ATOM 2996 H2 TIP3X 458 48.101 19.881 45.241 1.00 0.00 SOLV ATOM 2997 OH2 TIP3X 459 48.042 54.021 24.878 1.00 0.00 SOLV O ATOM 2998 H1 TIP3X 459 48.420 54.649 24.262 1.00 0.00 SOLV ATOM 2999 H2 TIP3X 459 48.652 53.284 24.873 1.00 0.00 SOLV ATOM 3000 OH2 TIP3X 460 61.303 44.646 33.585 1.00 0.00 SOLV O ATOM 3001 H1 TIP3X 460 61.710 44.408 32.752 1.00 0.00 SOLV ATOM 3002 H2 TIP3X 460 60.613 45.265 33.346 1.00 0.00 SOLV ATOM 3003 OH2 TIP3X 461 74.862 70.676 16.268 1.00 0.00 SOLV O ATOM 3004 H1 TIP3X 461 74.635 69.783 16.008 1.00 0.00 SOLV ATOM 3005 H2 TIP3X 461 74.042 71.164 16.189 1.00 0.00 SOLV ATOM 3006 OH2 TIP3X 462 79.155 49.540 30.631 1.00 0.00 SOLV O ATOM 3007 H1 TIP3X 462 78.901 49.817 29.751 1.00 0.00 SOLV ATOM 3008 H2 TIP3X 462 79.395 50.351 31.079 1.00 0.00 SOLV ATOM 3009 OH2 TIP3X 463 44.713 67.050 17.933 1.00 0.00 SOLV O ATOM 3010 H1 TIP3X 463 44.731 67.150 16.981 1.00 0.00 SOLV ATOM 3011 H2 TIP3X 463 44.406 66.154 18.074 1.00 0.00 SOLV ATOM 3012 OH2 TIP3X 464 25.939 13.975 -2.014 1.00 0.00 SOLV O ATOM 3013 H1 TIP3X 464 26.794 14.173 -1.631 1.00 0.00 SOLV ATOM 3014 H2 TIP3X 464 25.332 14.562 -1.563 1.00 0.00 SOLV ATOM 3015 OH2 TIP3X 465 78.376 64.165 60.811 1.00 0.00 SOLV O ATOM 3016 H1 TIP3X 465 77.954 63.316 60.939 1.00 0.00 SOLV ATOM 3017 H2 TIP3X 465 79.132 64.148 61.397 1.00 0.00 SOLV ATOM 3018 OH2 TIP3X 466 30.707 40.391 18.012 1.00 0.00 SOLV O ATOM 3019 H1 TIP3X 466 31.186 40.153 18.806 1.00 0.00 SOLV ATOM 3020 H2 TIP3X 466 30.067 39.689 17.897 1.00 0.00 SOLV ATOM 3021 OH2 TIP3X 467 56.147 40.570 33.120 1.00 0.00 SOLV O ATOM 3022 H1 TIP3X 467 55.314 40.108 33.211 1.00 0.00 SOLV ATOM 3023 H2 TIP3X 467 56.035 41.117 32.342 1.00 0.00 SOLV ATOM 3024 OH2 TIP3X 468 32.774 28.983 41.064 1.00 0.00 SOLV O ATOM 3025 H1 TIP3X 468 33.546 29.062 41.623 1.00 0.00 SOLV ATOM 3026 H2 TIP3X 468 32.214 29.715 41.323 1.00 0.00 SOLV ATOM 3027 OH2 TIP3X 469 52.457 45.703 9.938 1.00 0.00 SOLV O ATOM 3028 H1 TIP3X 469 53.359 45.849 9.655 1.00 0.00 SOLV ATOM 3029 H2 TIP3X 469 52.453 45.944 10.864 1.00 0.00 SOLV ATOM 3030 OH2 TIP3X 470 25.570 20.942 37.793 1.00 0.00 SOLV O ATOM 3031 H1 TIP3X 470 26.076 20.722 37.011 1.00 0.00 SOLV ATOM 3032 H2 TIP3X 470 26.200 21.369 38.374 1.00 0.00 SOLV ATOM 3033 OH2 TIP3X 471 83.476 16.259 63.584 1.00 0.00 SOLV O ATOM 3034 H1 TIP3X 471 82.690 15.725 63.699 1.00 0.00 SOLV ATOM 3035 H2 TIP3X 471 84.104 15.674 63.162 1.00 0.00 SOLV ATOM 3036 OH2 TIP3X 472 47.508 43.572 25.906 1.00 0.00 SOLV O ATOM 3037 H1 TIP3X 472 47.623 44.090 25.110 1.00 0.00 SOLV ATOM 3038 H2 TIP3X 472 48.201 42.914 25.867 1.00 0.00 SOLV ATOM 3039 OH2 TIP3X 473 35.167 75.836 -12.974 1.00 0.00 SOLV O ATOM 3040 H1 TIP3X 473 34.401 75.392 -13.338 1.00 0.00 SOLV ATOM 3041 H2 TIP3X 473 35.558 75.192 -12.383 1.00 0.00 SOLV ATOM 3042 OH2 TIP3X 474 57.612 54.668 33.817 1.00 0.00 SOLV O ATOM 3043 H1 TIP3X 474 57.483 55.571 34.109 1.00 0.00 SOLV ATOM 3044 H2 TIP3X 474 57.669 54.730 32.863 1.00 0.00 SOLV ATOM 3045 OH2 TIP3X 475 33.472 59.441 11.529 1.00 0.00 SOLV O ATOM 3046 H1 TIP3X 475 34.298 59.901 11.676 1.00 0.00 SOLV ATOM 3047 H2 TIP3X 475 33.709 58.687 10.989 1.00 0.00 SOLV ATOM 3048 OH2 TIP3X 476 75.720 33.028 -16.219 1.00 0.00 SOLV O ATOM 3049 H1 TIP3X 476 76.412 32.926 -16.873 1.00 0.00 SOLV ATOM 3050 H2 TIP3X 476 75.986 33.791 -15.706 1.00 0.00 SOLV ATOM 3051 OH2 TIP3X 477 49.145 69.610 -9.433 1.00 0.00 SOLV O ATOM 3052 H1 TIP3X 477 50.008 69.801 -9.066 1.00 0.00 SOLV ATOM 3053 H2 TIP3X 477 48.899 68.771 -9.043 1.00 0.00 SOLV ATOM 3054 OH2 TIP3X 478 21.583 79.038 9.325 1.00 0.00 SOLV O ATOM 3055 H1 TIP3X 478 22.026 78.304 8.898 1.00 0.00 SOLV ATOM 3056 H2 TIP3X 478 21.288 78.686 10.164 1.00 0.00 SOLV ATOM 3057 OH2 TIP3X 479 40.079 51.055 30.209 1.00 0.00 SOLV O ATOM 3058 H1 TIP3X 479 39.430 51.360 29.575 1.00 0.00 SOLV ATOM 3059 H2 TIP3X 479 40.887 51.504 29.960 1.00 0.00 SOLV ATOM 3060 OH2 TIP3X 480 52.373 55.952 15.953 1.00 0.00 SOLV O ATOM 3061 H1 TIP3X 480 51.953 55.570 16.723 1.00 0.00 SOLV ATOM 3062 H2 TIP3X 480 52.921 55.248 15.605 1.00 0.00 SOLV ATOM 3063 OH2 TIP3X 481 73.903 2.728 41.091 1.00 0.00 SOLV O ATOM 3064 H1 TIP3X 481 73.179 3.243 41.444 1.00 0.00 SOLV ATOM 3065 H2 TIP3X 481 74.171 2.162 41.815 1.00 0.00 SOLV ATOM 3066 OH2 TIP3X 482 67.793 86.962 59.412 1.00 0.00 SOLV O ATOM 3067 H1 TIP3X 482 66.949 87.103 58.982 1.00 0.00 SOLV ATOM 3068 H2 TIP3X 482 68.440 87.261 58.774 1.00 0.00 SOLV ATOM 3069 OH2 TIP3X 483 84.327 65.635 28.268 1.00 0.00 SOLV O ATOM 3070 H1 TIP3X 483 83.440 65.979 28.167 1.00 0.00 SOLV ATOM 3071 H2 TIP3X 483 84.425 65.010 27.549 1.00 0.00 SOLV ATOM 3072 OH2 TIP3X 484 37.649 86.024 60.994 1.00 0.00 SOLV O ATOM 3073 H1 TIP3X 484 37.094 85.272 60.791 1.00 0.00 SOLV ATOM 3074 H2 TIP3X 484 38.521 85.650 61.126 1.00 0.00 SOLV ATOM 3075 OH2 TIP3X 485 67.152 67.108 47.950 1.00 0.00 SOLV O ATOM 3076 H1 TIP3X 485 66.436 66.486 48.081 1.00 0.00 SOLV ATOM 3077 H2 TIP3X 485 67.305 67.102 47.005 1.00 0.00 SOLV ATOM 3078 OH2 TIP3X 486 31.228 29.649 34.303 1.00 0.00 SOLV O ATOM 3079 H1 TIP3X 486 30.307 29.396 34.374 1.00 0.00 SOLV ATOM 3080 H2 TIP3X 486 31.210 30.603 34.225 1.00 0.00 SOLV ATOM 3081 OH2 TIP3X 487 41.157 51.042 27.021 1.00 0.00 SOLV O ATOM 3082 H1 TIP3X 487 41.463 51.622 27.717 1.00 0.00 SOLV ATOM 3083 H2 TIP3X 487 41.953 50.784 26.556 1.00 0.00 SOLV ATOM 3084 OH2 TIP3X 488 23.002 63.934 -16.515 1.00 0.00 SOLV O ATOM 3085 H1 TIP3X 488 23.244 63.658 -17.399 1.00 0.00 SOLV ATOM 3086 H2 TIP3X 488 23.509 64.731 -16.364 1.00 0.00 SOLV ATOM 3087 OH2 TIP3X 489 47.739 43.787 37.425 1.00 0.00 SOLV O ATOM 3088 H1 TIP3X 489 48.519 44.041 36.931 1.00 0.00 SOLV ATOM 3089 H2 TIP3X 489 47.084 43.592 36.755 1.00 0.00 SOLV ATOM 3090 MG MG X 205 44.760 52.258 21.367 1.00 0.00 IONSMG ATOM 3091 MG MG X 206 57.599 41.257 34.369 1.00 0.00 IONSMG ATOM 3092 C4' SAM X 301 49.301 54.429 31.981 1.00 0.00 SAM C ATOM 3093 H4' SAM X 301 50.050 53.816 32.490 1.00 0.00 SAM ATOM 3094 O4' SAM X 301 49.629 55.868 31.962 1.00 0.00 SAM O ATOM 3095 C1' SAM X 301 49.501 56.388 33.259 1.00 0.00 SAM C ATOM 3096 H1' SAM X 301 50.467 56.507 33.772 1.00 0.00 SAM ATOM 3097 N9 SAM X 301 49.121 57.730 32.883 1.00 0.00 SAM N ATOM 3098 C5 SAM X 301 48.038 59.442 32.008 1.00 0.00 SAM C ATOM 3099 N7 SAM X 301 49.245 59.899 32.234 1.00 0.00 SAM N ATOM 3100 C8 SAM X 301 49.976 58.835 32.708 1.00 0.00 SAM C ATOM 3101 H8 SAM X 301 50.994 58.869 33.066 1.00 0.00 SAM ATOM 3102 N1 SAM X 301 45.719 59.600 31.596 1.00 0.00 SAM N ATOM 3103 C2 SAM X 301 45.675 58.280 31.891 1.00 0.00 SAM C ATOM 3104 H2 SAM X 301 44.692 57.877 31.669 1.00 0.00 SAM ATOM 3105 N3 SAM X 301 46.706 57.532 32.318 1.00 0.00 SAM N ATOM 3106 C4 SAM X 301 47.899 58.154 32.444 1.00 0.00 SAM C ATOM 3107 C6 SAM X 301 46.917 60.138 31.559 1.00 0.00 SAM C ATOM 3108 N6 SAM X 301 46.965 61.407 31.208 1.00 0.00 SAM N ATOM 3109 H61 SAM X 301 47.833 61.930 31.169 1.00 0.00 SAM ATOM 3110 H62 SAM X 301 46.065 61.871 31.247 1.00 0.00 SAM ATOM 3111 C2' SAM X 301 48.489 55.453 33.968 1.00 0.00 SAM C ATOM 3112 H2'' SAM X 301 47.551 55.880 34.333 1.00 0.00 SAM ATOM 3113 O2' SAM X 301 49.270 54.996 35.016 1.00 0.00 SAM O ATOM 3114 H2' SAM X 301 49.367 54.044 34.945 1.00 0.00 SAM ATOM 3115 N SAM X 301 49.349 59.050 29.218 1.00 0.00 SAM N ATOM 3116 HT1 SAM X 301 50.357 58.882 29.367 1.00 0.00 SAM ATOM 3117 HT2 SAM X 301 49.329 59.988 28.786 1.00 0.00 SAM ATOM 3118 HT3 SAM X 301 48.946 59.199 30.158 1.00 0.00 SAM ATOM 3119 CA SAM X 301 48.685 58.001 28.339 1.00 0.00 SAM C ATOM 3120 HA SAM X 301 49.138 57.973 27.347 1.00 0.00 SAM ATOM 3121 CB SAM X 301 48.838 56.582 28.969 1.00 0.00 SAM C ATOM 3122 HB1 SAM X 301 48.273 56.535 29.903 1.00 0.00 SAM ATOM 3123 HB2 SAM X 301 48.341 55.870 28.306 1.00 0.00 SAM ATOM 3124 CG SAM X 301 50.320 56.100 29.132 1.00 0.00 SAM C ATOM 3125 HG1 SAM X 301 50.904 56.286 28.227 1.00 0.00 SAM ATOM 3126 HG2 SAM X 301 50.765 56.730 29.906 1.00 0.00 SAM ATOM 3127 SD SAM X 301 50.560 54.343 29.556 1.00 0.00 SAM S ATOM 3128 C5' SAM X 301 49.062 53.929 30.535 1.00 0.00 SAM C ATOM 3129 H5' SAM X 301 49.074 52.836 30.542 1.00 0.00 SAM ATOM 3130 H5'' SAM X 301 48.118 54.334 30.160 1.00 0.00 SAM ATOM 3131 CE SAM X 301 50.038 53.499 27.992 1.00 0.00 SAM C ATOM 3132 HE1 SAM X 301 50.933 53.244 27.419 1.00 0.00 SAM ATOM 3133 HE2 SAM X 301 49.409 54.148 27.377 1.00 0.00 SAM ATOM 3134 HE3 SAM X 301 49.533 52.552 28.202 1.00 0.00 SAM ATOM 3135 C3' SAM X 301 48.091 54.408 32.871 1.00 0.00 SAM C ATOM 3136 H3' SAM X 301 47.139 54.728 32.439 1.00 0.00 SAM ATOM 3137 O3' SAM X 301 47.778 53.121 33.306 1.00 0.00 SAM O ATOM 3138 H3T SAM X 301 46.930 53.132 33.756 1.00 0.00 SAM ATOM 3139 C SAM X 301 47.162 58.158 28.006 1.00 0.00 SAM C ATOM 3140 OXT SAM X 301 46.366 59.065 28.389 1.00 0.00 SAM O ATOM 3141 O SAM X 301 46.843 57.558 26.972 1.00 0.00 SAM O ATOM 3142 OH2 TIP3 1 26.461 95.609 9.992 1.00 0.00 WT1 O ATOM 3143 H1 TIP3 1 25.873 95.887 9.290 1.00 0.00 WT1 H ATOM 3144 H2 TIP3 1 25.942 94.995 10.511 1.00 0.00 WT1 H ATOM 3145 OH2 TIP3 2 27.590 22.552 56.730 1.00 0.00 WT1 O ATOM 3146 H1 TIP3 2 26.810 22.182 57.143 1.00 0.00 WT1 H ATOM 3147 H2 TIP3 2 28.319 22.216 57.252 1.00 0.00 WT1 H ATOM 3148 OH2 TIP3 3 84.459 85.986 31.555 1.00 0.00 WT1 O ATOM 3149 H1 TIP3 3 85.215 85.965 32.142 1.00 0.00 WT1 H ATOM 3150 H2 TIP3 3 83.706 85.841 32.127 1.00 0.00 WT1 H ATOM 3151 OH2 TIP3 4 85.018 88.813 9.808 1.00 0.00 WT1 O ATOM 3152 H1 TIP3 4 85.463 88.540 10.610 1.00 0.00 WT1 H ATOM 3153 H2 TIP3 4 84.530 89.596 10.060 1.00 0.00 WT1 H ATOM 3154 OH2 TIP3 5 90.288 8.052 57.582 1.00 0.00 WT1 O ATOM 3155 H1 TIP3 5 89.847 8.854 57.300 1.00 0.00 WT1 H ATOM 3156 H2 TIP3 5 89.936 7.879 58.455 1.00 0.00 WT1 H ATOM 3157 OH2 TIP3 6 51.094 8.157 -5.049 1.00 0.00 WT1 O ATOM 3158 H1 TIP3 6 50.416 8.221 -4.377 1.00 0.00 WT1 H ATOM 3159 H2 TIP3 6 51.669 7.455 -4.743 1.00 0.00 WT1 H ATOM 3160 OH2 TIP3 7 70.039 78.789 33.636 1.00 0.00 WT1 O ATOM 3161 H1 TIP3 7 70.736 78.874 34.286 1.00 0.00 WT1 H ATOM 3162 H2 TIP3 7 69.677 77.915 33.786 1.00 0.00 WT1 H ATOM 3163 OH2 TIP3 8 68.658 15.624 5.518 1.00 0.00 WT1 O ATOM 3164 H1 TIP3 8 69.153 16.008 6.241 1.00 0.00 WT1 H ATOM 3165 H2 TIP3 8 68.241 16.372 5.089 1.00 0.00 WT1 H ATOM 3166 OH2 TIP3 9 37.603 13.042 -8.790 1.00 0.00 WT1 O ATOM 3167 H1 TIP3 9 38.409 13.087 -8.275 1.00 0.00 WT1 H ATOM 3168 H2 TIP3 9 36.912 12.898 -8.144 1.00 0.00 WT1 H ATOM 3169 OH2 TIP3 10 22.498 92.807 20.474 1.00 0.00 WT1 O ATOM 3170 H1 TIP3 10 23.222 92.221 20.251 1.00 0.00 WT1 H ATOM 3171 H2 TIP3 10 22.800 93.675 20.203 1.00 0.00 WT1 H ATOM 3172 OH2 TIP3 11 35.814 47.061 14.848 1.00 0.00 WT1 O ATOM 3173 H1 TIP3 11 36.631 47.194 15.329 1.00 0.00 WT1 H ATOM 3174 H2 TIP3 11 35.804 46.125 14.645 1.00 0.00 WT1 H ATOM 3175 OH2 TIP3 12 49.886 33.498 41.857 1.00 0.00 WT1 O ATOM 3176 H1 TIP3 12 49.485 33.773 41.033 1.00 0.00 WT1 H ATOM 3177 H2 TIP3 12 49.963 34.304 42.367 1.00 0.00 WT1 H ATOM 3178 OH2 TIP3 13 48.657 94.987 -9.093 1.00 0.00 WT1 O ATOM 3179 H1 TIP3 13 47.916 95.589 -9.158 1.00 0.00 WT1 H ATOM 3180 H2 TIP3 13 48.353 94.185 -9.518 1.00 0.00 WT1 H ATOM 3181 OH2 TIP3 14 34.391 61.876 42.689 1.00 0.00 WT1 O ATOM 3182 H1 TIP3 14 34.544 60.946 42.522 1.00 0.00 WT1 H ATOM 3183 H2 TIP3 14 35.156 62.315 42.318 1.00 0.00 WT1 H ATOM 3184 OH2 TIP3 15 36.534 22.531 41.379 1.00 0.00 WT1 O ATOM 3185 H1 TIP3 15 36.215 23.220 40.796 1.00 0.00 WT1 H ATOM 3186 H2 TIP3 15 37.287 22.158 40.921 1.00 0.00 WT1 H ATOM 3187 OH2 TIP3 16 31.085 52.252 22.909 1.00 0.00 WT1 O ATOM 3188 H1 TIP3 16 31.320 53.131 22.613 1.00 0.00 WT1 H ATOM 3189 H2 TIP3 16 30.426 51.955 22.282 1.00 0.00 WT1 H ATOM 3190 OH2 TIP3 17 82.488 5.525 38.027 1.00 0.00 WT1 O ATOM 3191 H1 TIP3 17 83.065 4.776 37.877 1.00 0.00 WT1 H ATOM 3192 H2 TIP3 17 83.081 6.251 38.219 1.00 0.00 WT1 H ATOM 3193 OH2 TIP3 18 62.707 94.239 42.036 1.00 0.00 WT1 O ATOM 3194 H1 TIP3 18 63.264 94.297 41.260 1.00 0.00 WT1 H ATOM 3195 H2 TIP3 18 61.935 94.760 41.817 1.00 0.00 WT1 H ATOM 3196 OH2 TIP3 19 30.206 9.762 37.700 1.00 0.00 WT1 O ATOM 3197 H1 TIP3 19 30.520 10.330 38.405 1.00 0.00 WT1 H ATOM 3198 H2 TIP3 19 29.273 9.961 37.629 1.00 0.00 WT1 H ATOM 3199 OH2 TIP3 20 34.697 49.265 32.062 1.00 0.00 WT1 O ATOM 3200 H1 TIP3 20 35.452 49.735 31.708 1.00 0.00 WT1 H ATOM 3201 H2 TIP3 20 35.010 48.892 32.886 1.00 0.00 WT1 H ATOM 3202 OH2 TIP3 21 55.070 10.562 -16.647 1.00 0.00 WT1 O ATOM 3203 H1 TIP3 21 55.948 10.676 -17.011 1.00 0.00 WT1 H ATOM 3204 H2 TIP3 21 55.020 9.631 -16.430 1.00 0.00 WT1 H ATOM 3205 OH2 TIP3 22 41.544 19.204 2.398 1.00 0.00 WT1 O ATOM 3206 H1 TIP3 22 40.795 19.086 1.814 1.00 0.00 WT1 H ATOM 3207 H2 TIP3 22 42.277 18.801 1.933 1.00 0.00 WT1 H ATOM 3208 OH2 TIP3 23 35.659 91.814 65.656 1.00 0.00 WT1 O ATOM 3209 H1 TIP3 23 35.000 92.091 65.020 1.00 0.00 WT1 H ATOM 3210 H2 TIP3 23 36.492 92.091 65.275 1.00 0.00 WT1 H ATOM 3211 OH2 TIP3 24 77.460 62.291 4.555 1.00 0.00 WT1 O ATOM 3212 H1 TIP3 24 76.807 62.344 3.857 1.00 0.00 WT1 H ATOM 3213 H2 TIP3 24 78.290 62.155 4.097 1.00 0.00 WT1 H ATOM 3214 OH2 TIP3 25 42.171 82.577 20.618 1.00 0.00 WT1 O ATOM 3215 H1 TIP3 25 42.556 81.724 20.818 1.00 0.00 WT1 H ATOM 3216 H2 TIP3 25 42.796 82.988 20.022 1.00 0.00 WT1 H ATOM 3217 OH2 TIP3 26 88.238 73.656 4.179 1.00 0.00 WT1 O ATOM 3218 H1 TIP3 26 88.091 72.957 4.816 1.00 0.00 WT1 H ATOM 3219 H2 TIP3 26 89.183 73.644 4.024 1.00 0.00 WT1 H ATOM 3220 OH2 TIP3 27 89.376 17.240 -13.623 1.00 0.00 WT1 O ATOM 3221 H1 TIP3 27 90.094 16.842 -14.115 1.00 0.00 WT1 H ATOM 3222 H2 TIP3 27 88.724 17.462 -14.287 1.00 0.00 WT1 H ATOM 3223 OH2 TIP3 28 49.613 84.126 66.089 1.00 0.00 WT1 O ATOM 3224 H1 TIP3 28 49.366 83.213 66.235 1.00 0.00 WT1 H ATOM 3225 H2 TIP3 28 49.210 84.603 66.815 1.00 0.00 WT1 H ATOM 3226 OH2 TIP3 29 52.434 66.719 -5.167 1.00 0.00 WT1 O ATOM 3227 H1 TIP3 29 53.027 67.093 -4.515 1.00 0.00 WT1 H ATOM 3228 H2 TIP3 29 51.767 67.393 -5.300 1.00 0.00 WT1 H ATOM 3229 OH2 TIP3 30 77.906 30.915 21.029 1.00 0.00 WT1 O ATOM 3230 H1 TIP3 30 77.973 30.458 21.867 1.00 0.00 WT1 H ATOM 3231 H2 TIP3 30 77.107 31.438 21.104 1.00 0.00 WT1 H ATOM 3232 OH2 TIP3 31 67.507 65.326 17.094 1.00 0.00 WT1 O ATOM 3233 H1 TIP3 31 66.819 64.840 16.638 1.00 0.00 WT1 H ATOM 3234 H2 TIP3 31 68.226 65.373 16.464 1.00 0.00 WT1 H ATOM 3235 OH2 TIP3 32 56.027 89.513 35.442 1.00 0.00 WT1 O ATOM 3236 H1 TIP3 32 56.688 89.049 35.956 1.00 0.00 WT1 H ATOM 3237 H2 TIP3 32 55.196 89.290 35.861 1.00 0.00 WT1 H ATOM 3238 OH2 TIP3 33 31.978 43.388 57.550 1.00 0.00 WT1 O ATOM 3239 H1 TIP3 33 31.527 43.056 56.775 1.00 0.00 WT1 H ATOM 3240 H2 TIP3 33 32.338 44.232 57.276 1.00 0.00 WT1 H ATOM 3241 OH2 TIP3 34 33.661 4.353 36.459 1.00 0.00 WT1 O ATOM 3242 H1 TIP3 34 34.397 4.948 36.604 1.00 0.00 WT1 H ATOM 3243 H2 TIP3 34 32.933 4.926 36.216 1.00 0.00 WT1 H ATOM 3244 OH2 TIP3 35 50.798 21.395 23.529 1.00 0.00 WT1 O ATOM 3245 H1 TIP3 35 51.135 22.271 23.716 1.00 0.00 WT1 H ATOM 3246 H2 TIP3 35 50.265 21.175 24.293 1.00 0.00 WT1 H ATOM 3247 OH2 TIP3 38 89.532 34.103 -8.074 1.00 0.00 WT1 O ATOM 3248 H1 TIP3 38 88.684 33.723 -8.301 1.00 0.00 WT1 H ATOM 3249 H2 TIP3 38 90.034 33.372 -7.713 1.00 0.00 WT1 H ATOM 3250 OH2 TIP3 39 36.112 27.710 0.202 1.00 0.00 WT1 O ATOM 3251 H1 TIP3 39 35.412 28.304 0.476 1.00 0.00 WT1 H ATOM 3252 H2 TIP3 39 36.908 28.238 0.254 1.00 0.00 WT1 H ATOM 3253 OH2 TIP3 40 86.931 46.137 -3.794 1.00 0.00 WT1 O ATOM 3254 H1 TIP3 40 86.654 45.873 -4.671 1.00 0.00 WT1 H ATOM 3255 H2 TIP3 40 86.114 46.243 -3.306 1.00 0.00 WT1 H ATOM 3256 OH2 TIP3 41 48.954 81.490 66.527 1.00 0.00 WT1 O ATOM 3257 H1 TIP3 41 49.292 81.291 67.401 1.00 0.00 WT1 H ATOM 3258 H2 TIP3 41 48.291 80.818 66.368 1.00 0.00 WT1 H ATOM 3259 OH2 TIP3 42 29.869 39.508 2.663 1.00 0.00 WT1 O ATOM 3260 H1 TIP3 42 29.736 40.414 2.942 1.00 0.00 WT1 H ATOM 3261 H2 TIP3 42 30.768 39.488 2.333 1.00 0.00 WT1 H ATOM 3262 OH2 TIP3 43 25.249 94.943 -2.622 1.00 0.00 WT1 O ATOM 3263 H1 TIP3 43 26.072 95.250 -3.003 1.00 0.00 WT1 H ATOM 3264 H2 TIP3 43 24.570 95.332 -3.174 1.00 0.00 WT1 H ATOM 3265 OH2 TIP3 44 28.081 0.646 -9.967 1.00 0.00 WT1 O ATOM 3266 H1 TIP3 44 27.653 1.202 -10.618 1.00 0.00 WT1 H ATOM 3267 H2 TIP3 44 27.760 0.971 -9.126 1.00 0.00 WT1 H ATOM 3268 OH2 TIP3 45 84.231 15.062 -17.329 1.00 0.00 WT1 O ATOM 3269 H1 TIP3 45 83.350 14.695 -17.397 1.00 0.00 WT1 H ATOM 3270 H2 TIP3 45 84.187 15.655 -16.579 1.00 0.00 WT1 H ATOM 3271 OH2 TIP3 46 28.004 38.998 -16.207 1.00 0.00 WT1 O ATOM 3272 H1 TIP3 46 28.902 39.325 -16.246 1.00 0.00 WT1 H ATOM 3273 H2 TIP3 46 27.462 39.787 -16.185 1.00 0.00 WT1 H ATOM 3274 OH2 TIP3 47 40.954 61.226 3.149 1.00 0.00 WT1 O ATOM 3275 H1 TIP3 47 41.465 61.662 3.832 1.00 0.00 WT1 H ATOM 3276 H2 TIP3 47 41.395 60.388 3.017 1.00 0.00 WT1 H ATOM 3277 OH2 TIP3 48 48.581 34.082 54.071 1.00 0.00 WT1 O ATOM 3278 H1 TIP3 48 47.775 33.607 54.276 1.00 0.00 WT1 H ATOM 3279 H2 TIP3 48 49.194 33.403 53.788 1.00 0.00 WT1 H ATOM 3280 OH2 TIP3 49 30.785 4.330 3.025 1.00 0.00 WT1 O ATOM 3281 H1 TIP3 49 29.914 4.654 3.258 1.00 0.00 WT1 H ATOM 3282 H2 TIP3 49 31.320 5.119 2.945 1.00 0.00 WT1 H ATOM 3283 OH2 TIP3 50 87.714 35.252 -15.836 1.00 0.00 WT1 O ATOM 3284 H1 TIP3 50 88.413 34.607 -15.733 1.00 0.00 WT1 H ATOM 3285 H2 TIP3 50 87.291 35.018 -16.662 1.00 0.00 WT1 H ATOM 3286 OH2 TIP3 51 87.314 83.585 9.377 1.00 0.00 WT1 O ATOM 3287 H1 TIP3 51 88.007 84.243 9.327 1.00 0.00 WT1 H ATOM 3288 H2 TIP3 51 87.481 83.004 8.635 1.00 0.00 WT1 H ATOM 3289 OH2 TIP3 52 32.645 90.036 0.520 1.00 0.00 WT1 O ATOM 3290 H1 TIP3 52 32.694 89.840 1.456 1.00 0.00 WT1 H ATOM 3291 H2 TIP3 52 31.912 89.509 0.202 1.00 0.00 WT1 H ATOM 3292 OH2 TIP3 53 40.344 58.024 -6.720 1.00 0.00 WT1 O ATOM 3293 H1 TIP3 53 39.934 57.271 -6.296 1.00 0.00 WT1 H ATOM 3294 H2 TIP3 53 41.028 58.301 -6.110 1.00 0.00 WT1 H ATOM 3295 OH2 TIP3 54 65.587 67.833 -15.728 1.00 0.00 WT1 O ATOM 3296 H1 TIP3 54 65.800 67.925 -16.657 1.00 0.00 WT1 H ATOM 3297 H2 TIP3 54 64.821 67.260 -15.713 1.00 0.00 WT1 H ATOM 3298 OH2 TIP3 56 30.680 25.785 64.242 1.00 0.00 WT1 O ATOM 3299 H1 TIP3 56 30.750 24.929 64.663 1.00 0.00 WT1 H ATOM 3300 H2 TIP3 56 29.754 26.016 64.317 1.00 0.00 WT1 H ATOM 3301 OH2 TIP3 57 57.179 27.302 57.768 1.00 0.00 WT1 O ATOM 3302 H1 TIP3 57 58.071 27.229 57.428 1.00 0.00 WT1 H ATOM 3303 H2 TIP3 57 56.908 28.192 57.542 1.00 0.00 WT1 H ATOM 3304 OH2 TIP3 58 28.012 93.245 12.587 1.00 0.00 WT1 O ATOM 3305 H1 TIP3 58 27.251 93.099 13.148 1.00 0.00 WT1 H ATOM 3306 H2 TIP3 58 28.678 93.602 13.174 1.00 0.00 WT1 H ATOM 3307 OH2 TIP3 59 55.924 32.774 30.756 1.00 0.00 WT1 O ATOM 3308 H1 TIP3 59 56.488 32.036 30.524 1.00 0.00 WT1 H ATOM 3309 H2 TIP3 59 55.747 33.211 29.924 1.00 0.00 WT1 H ATOM 3310 OH2 TIP3 60 23.636 16.706 63.999 1.00 0.00 WT1 O ATOM 3311 H1 TIP3 60 23.076 16.663 64.774 1.00 0.00 WT1 H ATOM 3312 H2 TIP3 60 23.653 17.635 63.767 1.00 0.00 WT1 H ATOM 3313 OH2 TIP3 61 68.260 89.659 -13.981 1.00 0.00 WT1 O ATOM 3314 H1 TIP3 61 67.320 89.830 -13.924 1.00 0.00 WT1 H ATOM 3315 H2 TIP3 61 68.355 89.097 -14.750 1.00 0.00 WT1 H ATOM 3316 OH2 TIP3 62 74.218 12.241 -6.499 1.00 0.00 WT1 O ATOM 3317 H1 TIP3 62 74.224 12.924 -7.171 1.00 0.00 WT1 H ATOM 3318 H2 TIP3 62 73.990 12.701 -5.692 1.00 0.00 WT1 H ATOM 3319 OH2 TIP3 63 47.553 10.118 50.275 1.00 0.00 WT1 O ATOM 3320 H1 TIP3 63 46.819 10.172 49.663 1.00 0.00 WT1 H ATOM 3321 H2 TIP3 63 47.338 9.379 50.843 1.00 0.00 WT1 H ATOM 3322 OH2 TIP3 64 60.810 68.206 27.451 1.00 0.00 WT1 O ATOM 3323 H1 TIP3 64 59.861 68.095 27.387 1.00 0.00 WT1 H ATOM 3324 H2 TIP3 64 61.065 68.577 26.606 1.00 0.00 WT1 H ATOM 3325 OH2 TIP3 65 35.175 52.956 -12.233 1.00 0.00 WT1 O ATOM 3326 H1 TIP3 65 36.121 52.958 -12.089 1.00 0.00 WT1 H ATOM 3327 H2 TIP3 65 35.030 52.257 -12.870 1.00 0.00 WT1 H ATOM 3328 OH2 TIP3 66 71.776 27.581 -14.293 1.00 0.00 WT1 O ATOM 3329 H1 TIP3 66 72.372 28.330 -14.324 1.00 0.00 WT1 H ATOM 3330 H2 TIP3 66 71.214 27.752 -13.538 1.00 0.00 WT1 H ATOM 3331 OH2 TIP3 67 42.869 7.068 14.124 1.00 0.00 WT1 O ATOM 3332 H1 TIP3 67 43.592 7.070 14.751 1.00 0.00 WT1 H ATOM 3333 H2 TIP3 67 43.219 7.518 13.354 1.00 0.00 WT1 H ATOM 3334 OH2 TIP3 68 27.691 86.784 6.111 1.00 0.00 WT1 O ATOM 3335 H1 TIP3 68 26.789 87.098 6.176 1.00 0.00 WT1 H ATOM 3336 H2 TIP3 68 28.211 87.575 5.970 1.00 0.00 WT1 H ATOM 3337 OH2 TIP3 69 43.728 35.651 54.280 1.00 0.00 WT1 O ATOM 3338 H1 TIP3 69 44.502 35.738 54.837 1.00 0.00 WT1 H ATOM 3339 H2 TIP3 69 43.623 34.707 54.160 1.00 0.00 WT1 H ATOM 3340 OH2 TIP3 70 87.011 43.638 13.414 1.00 0.00 WT1 O ATOM 3341 H1 TIP3 70 86.657 44.064 14.195 1.00 0.00 WT1 H ATOM 3342 H2 TIP3 70 87.676 43.037 13.750 1.00 0.00 WT1 H ATOM 3343 OH2 TIP3 71 86.204 18.056 36.976 1.00 0.00 WT1 O ATOM 3344 H1 TIP3 71 86.401 18.972 36.779 1.00 0.00 WT1 H ATOM 3345 H2 TIP3 71 85.989 18.052 37.909 1.00 0.00 WT1 H ATOM 3346 OH2 TIP3 72 35.653 80.431 10.783 1.00 0.00 WT1 O ATOM 3347 H1 TIP3 72 35.871 80.061 9.927 1.00 0.00 WT1 H ATOM 3348 H2 TIP3 72 35.852 81.363 10.699 1.00 0.00 WT1 H ATOM 3349 OH2 TIP3 73 41.650 39.618 17.105 1.00 0.00 WT1 O ATOM 3350 H1 TIP3 73 42.324 38.978 17.336 1.00 0.00 WT1 H ATOM 3351 H2 TIP3 73 41.432 40.045 17.933 1.00 0.00 WT1 H ATOM 3352 OH2 TIP3 74 61.389 80.523 19.219 1.00 0.00 WT1 O ATOM 3353 H1 TIP3 74 61.105 81.236 18.647 1.00 0.00 WT1 H ATOM 3354 H2 TIP3 74 60.658 80.394 19.822 1.00 0.00 WT1 H ATOM 3355 OH2 TIP3 75 35.944 19.432 10.635 1.00 0.00 WT1 O ATOM 3356 H1 TIP3 75 36.326 20.295 10.798 1.00 0.00 WT1 H ATOM 3357 H2 TIP3 75 36.484 18.830 11.148 1.00 0.00 WT1 H ATOM 3358 OH2 TIP3 76 83.828 36.035 5.099 1.00 0.00 WT1 O ATOM 3359 H1 TIP3 76 83.803 36.980 5.248 1.00 0.00 WT1 H ATOM 3360 H2 TIP3 76 84.744 35.850 4.888 1.00 0.00 WT1 H ATOM 3361 OH2 TIP3 77 29.338 47.729 42.229 1.00 0.00 WT1 O ATOM 3362 H1 TIP3 77 29.378 48.683 42.171 1.00 0.00 WT1 H ATOM 3363 H2 TIP3 77 29.029 47.555 43.118 1.00 0.00 WT1 H ATOM 3364 OH2 TIP3 78 61.958 44.886 8.247 1.00 0.00 WT1 O ATOM 3365 H1 TIP3 78 62.148 45.056 9.169 1.00 0.00 WT1 H ATOM 3366 H2 TIP3 78 61.996 43.933 8.165 1.00 0.00 WT1 H ATOM 3367 OH2 TIP3 79 79.934 15.424 3.721 1.00 0.00 WT1 O ATOM 3368 H1 TIP3 79 79.696 16.351 3.746 1.00 0.00 WT1 H ATOM 3369 H2 TIP3 79 79.625 15.120 2.868 1.00 0.00 WT1 H ATOM 3370 OH2 TIP3 80 86.934 83.283 -6.426 1.00 0.00 WT1 O ATOM 3371 H1 TIP3 80 86.959 83.660 -5.546 1.00 0.00 WT1 H ATOM 3372 H2 TIP3 80 86.292 82.576 -6.366 1.00 0.00 WT1 H ATOM 3373 OH2 TIP3 81 78.523 29.058 35.652 1.00 0.00 WT1 O ATOM 3374 H1 TIP3 81 77.911 28.369 35.395 1.00 0.00 WT1 H ATOM 3375 H2 TIP3 81 78.819 29.436 34.823 1.00 0.00 WT1 H ATOM 3376 OH2 TIP3 82 75.789 53.440 55.200 1.00 0.00 WT1 O ATOM 3377 H1 TIP3 82 75.800 53.916 56.030 1.00 0.00 WT1 H ATOM 3378 H2 TIP3 82 75.352 54.033 54.589 1.00 0.00 WT1 H ATOM 3379 OH2 TIP3 83 56.801 11.337 49.907 1.00 0.00 WT1 O ATOM 3380 H1 TIP3 83 57.641 10.888 50.001 1.00 0.00 WT1 H ATOM 3381 H2 TIP3 83 56.374 11.230 50.757 1.00 0.00 WT1 H ATOM 3382 OH2 TIP3 84 27.457 10.449 37.934 1.00 0.00 WT1 O ATOM 3383 H1 TIP3 84 26.549 10.698 38.107 1.00 0.00 WT1 H ATOM 3384 H2 TIP3 84 27.882 11.263 37.665 1.00 0.00 WT1 H ATOM 3385 OH2 TIP3 85 40.317 81.183 55.693 1.00 0.00 WT1 O ATOM 3386 H1 TIP3 85 39.682 81.407 55.013 1.00 0.00 WT1 H ATOM 3387 H2 TIP3 85 41.029 80.747 55.224 1.00 0.00 WT1 H ATOM 3388 OH2 TIP3 86 73.623 59.437 48.298 1.00 0.00 WT1 O ATOM 3389 H1 TIP3 86 73.400 58.544 48.036 1.00 0.00 WT1 H ATOM 3390 H2 TIP3 86 72.915 59.699 48.886 1.00 0.00 WT1 H ATOM 3391 OH2 TIP3 87 80.316 16.089 -7.890 1.00 0.00 WT1 O ATOM 3392 H1 TIP3 87 80.411 15.334 -8.471 1.00 0.00 WT1 H ATOM 3393 H2 TIP3 87 80.996 15.970 -7.228 1.00 0.00 WT1 H ATOM 3394 OH2 TIP3 88 24.629 72.341 35.129 1.00 0.00 WT1 O ATOM 3395 H1 TIP3 88 25.333 72.888 34.778 1.00 0.00 WT1 H ATOM 3396 H2 TIP3 88 24.839 71.457 34.828 1.00 0.00 WT1 H ATOM 3397 OH2 TIP3 89 56.870 81.102 -18.278 1.00 0.00 WT1 O ATOM 3398 H1 TIP3 89 57.576 80.826 -18.863 1.00 0.00 WT1 H ATOM 3399 H2 TIP3 89 56.389 80.297 -18.086 1.00 0.00 WT1 H ATOM 3400 OH2 TIP3 90 75.415 9.418 -2.762 1.00 0.00 WT1 O ATOM 3401 H1 TIP3 90 75.954 10.143 -3.080 1.00 0.00 WT1 H ATOM 3402 H2 TIP3 90 75.132 9.695 -1.890 1.00 0.00 WT1 H ATOM 3403 OH2 TIP3 91 42.311 19.947 -6.646 1.00 0.00 WT1 O ATOM 3404 H1 TIP3 91 41.959 19.583 -5.834 1.00 0.00 WT1 H ATOM 3405 H2 TIP3 91 42.306 20.894 -6.507 1.00 0.00 WT1 H ATOM 3406 OH2 TIP3 92 81.974 42.188 12.068 1.00 0.00 WT1 O ATOM 3407 H1 TIP3 92 82.784 42.555 11.713 1.00 0.00 WT1 H ATOM 3408 H2 TIP3 92 81.758 41.468 11.475 1.00 0.00 WT1 H ATOM 3409 OH2 TIP3 93 44.786 89.947 48.456 1.00 0.00 WT1 O ATOM 3410 H1 TIP3 93 45.188 89.452 49.169 1.00 0.00 WT1 H ATOM 3411 H2 TIP3 93 44.961 90.863 48.671 1.00 0.00 WT1 H ATOM 3412 OH2 TIP3 94 85.551 46.472 28.608 1.00 0.00 WT1 O ATOM 3413 H1 TIP3 94 84.989 47.224 28.798 1.00 0.00 WT1 H ATOM 3414 H2 TIP3 94 86.262 46.832 28.077 1.00 0.00 WT1 H ATOM 3415 OH2 TIP3 95 41.835 73.410 60.085 1.00 0.00 WT1 O ATOM 3416 H1 TIP3 95 41.771 73.477 59.132 1.00 0.00 WT1 H ATOM 3417 H2 TIP3 95 41.619 74.287 60.402 1.00 0.00 WT1 H ATOM 3418 OH2 TIP3 96 51.933 55.822 -8.236 1.00 0.00 WT1 O ATOM 3419 H1 TIP3 96 52.417 56.590 -7.934 1.00 0.00 WT1 H ATOM 3420 H2 TIP3 96 51.326 56.165 -8.893 1.00 0.00 WT1 H ATOM 3421 OH2 TIP3 97 83.843 76.838 8.484 1.00 0.00 WT1 O ATOM 3422 H1 TIP3 97 84.563 76.429 8.965 1.00 0.00 WT1 H ATOM 3423 H2 TIP3 97 84.003 76.606 7.569 1.00 0.00 WT1 H ATOM 3424 OH2 TIP3 98 29.597 45.152 19.575 1.00 0.00 WT1 O ATOM 3425 H1 TIP3 98 30.072 45.978 19.667 1.00 0.00 WT1 H ATOM 3426 H2 TIP3 98 29.828 44.839 18.701 1.00 0.00 WT1 H ATOM 3427 OH2 TIP3 99 70.887 19.537 30.689 1.00 0.00 WT1 O ATOM 3428 H1 TIP3 99 71.830 19.427 30.570 1.00 0.00 WT1 H ATOM 3429 H2 TIP3 99 70.734 19.319 31.608 1.00 0.00 WT1 H ATOM 3430 OH2 TIP3 100 67.749 69.748 52.033 1.00 0.00 WT1 O ATOM 3431 H1 TIP3 100 68.563 69.464 51.618 1.00 0.00 WT1 H ATOM 3432 H2 TIP3 100 67.137 69.029 51.876 1.00 0.00 WT1 H ATOM 3433 OH2 TIP3 101 28.094 44.814 49.466 1.00 0.00 WT1 O ATOM 3434 H1 TIP3 101 29.023 44.983 49.310 1.00 0.00 WT1 H ATOM 3435 H2 TIP3 101 27.665 45.652 49.296 1.00 0.00 WT1 H ATOM 3436 OH2 TIP3 102 80.969 9.304 48.357 1.00 0.00 WT1 O ATOM 3437 H1 TIP3 102 81.166 8.367 48.348 1.00 0.00 WT1 H ATOM 3438 H2 TIP3 102 80.590 9.477 47.495 1.00 0.00 WT1 H ATOM 3439 OH2 TIP3 103 54.708 73.760 -17.566 1.00 0.00 WT1 O ATOM 3440 H1 TIP3 103 53.996 74.182 -18.047 1.00 0.00 WT1 H ATOM 3441 H2 TIP3 103 55.286 74.480 -17.312 1.00 0.00 WT1 H ATOM 3442 OH2 TIP3 104 28.235 76.981 40.486 1.00 0.00 WT1 O ATOM 3443 H1 TIP3 104 29.167 76.989 40.706 1.00 0.00 WT1 H ATOM 3444 H2 TIP3 104 28.164 77.557 39.724 1.00 0.00 WT1 H ATOM 3445 OH2 TIP3 105 56.567 12.502 8.552 1.00 0.00 WT1 O ATOM 3446 H1 TIP3 105 56.052 13.282 8.757 1.00 0.00 WT1 H ATOM 3447 H2 TIP3 105 56.425 11.918 9.296 1.00 0.00 WT1 H ATOM 3448 OH2 TIP3 106 70.787 9.153 66.443 1.00 0.00 WT1 O ATOM 3449 H1 TIP3 106 70.565 9.854 67.056 1.00 0.00 WT1 H ATOM 3450 H2 TIP3 106 70.439 8.360 66.849 1.00 0.00 WT1 H ATOM 3451 OH2 TIP3 107 24.863 20.629 -1.970 1.00 0.00 WT1 O ATOM 3452 H1 TIP3 107 25.275 20.147 -1.253 1.00 0.00 WT1 H ATOM 3453 H2 TIP3 107 24.355 21.315 -1.537 1.00 0.00 WT1 H ATOM 3454 OH2 TIP3 108 72.963 42.639 18.178 1.00 0.00 WT1 O ATOM 3455 H1 TIP3 108 72.011 42.556 18.125 1.00 0.00 WT1 H ATOM 3456 H2 TIP3 108 73.268 41.762 18.410 1.00 0.00 WT1 H ATOM 3457 OH2 TIP3 109 87.556 71.649 16.159 1.00 0.00 WT1 O ATOM 3458 H1 TIP3 109 86.740 71.169 16.018 1.00 0.00 WT1 H ATOM 3459 H2 TIP3 109 88.222 71.126 15.712 1.00 0.00 WT1 H ATOM 3460 OH2 TIP3 110 37.018 4.321 12.534 1.00 0.00 WT1 O ATOM 3461 H1 TIP3 110 36.374 4.088 13.203 1.00 0.00 WT1 H ATOM 3462 H2 TIP3 110 37.251 3.489 12.124 1.00 0.00 WT1 H ATOM 3463 OH2 TIP3 111 87.315 42.238 45.647 1.00 0.00 WT1 O ATOM 3464 H1 TIP3 111 86.466 42.480 45.277 1.00 0.00 WT1 H ATOM 3465 H2 TIP3 111 87.101 41.800 46.471 1.00 0.00 WT1 H ATOM 3466 OH2 TIP3 112 29.273 40.477 10.524 1.00 0.00 WT1 O ATOM 3467 H1 TIP3 112 28.884 41.307 10.249 1.00 0.00 WT1 H ATOM 3468 H2 TIP3 112 29.708 40.143 9.740 1.00 0.00 WT1 H ATOM 3469 OH2 TIP3 113 78.905 53.175 19.532 1.00 0.00 WT1 O ATOM 3470 H1 TIP3 113 78.048 53.565 19.704 1.00 0.00 WT1 H ATOM 3471 H2 TIP3 113 79.287 53.728 18.850 1.00 0.00 WT1 H ATOM 3472 OH2 TIP3 114 22.109 39.214 34.908 1.00 0.00 WT1 O ATOM 3473 H1 TIP3 114 22.334 40.042 34.485 1.00 0.00 WT1 H ATOM 3474 H2 TIP3 114 21.872 38.633 34.185 1.00 0.00 WT1 H ATOM 3475 OH2 TIP3 115 60.385 11.587 4.947 1.00 0.00 WT1 O ATOM 3476 H1 TIP3 115 59.587 11.087 5.117 1.00 0.00 WT1 H ATOM 3477 H2 TIP3 115 60.189 12.468 5.264 1.00 0.00 WT1 H ATOM 3478 OH2 TIP3 116 71.352 90.523 -15.396 1.00 0.00 WT1 O ATOM 3479 H1 TIP3 116 70.709 90.953 -14.833 1.00 0.00 WT1 H ATOM 3480 H2 TIP3 116 72.151 90.494 -14.871 1.00 0.00 WT1 H ATOM 3481 OH2 TIP3 117 76.942 46.167 3.203 1.00 0.00 WT1 O ATOM 3482 H1 TIP3 117 77.446 46.073 4.012 1.00 0.00 WT1 H ATOM 3483 H2 TIP3 117 77.306 46.947 2.784 1.00 0.00 WT1 H ATOM 3484 OH2 TIP3 118 45.507 36.035 -3.502 1.00 0.00 WT1 O ATOM 3485 H1 TIP3 118 46.136 35.413 -3.137 1.00 0.00 WT1 H ATOM 3486 H2 TIP3 118 44.669 35.786 -3.112 1.00 0.00 WT1 H ATOM 3487 OH2 TIP3 119 77.769 56.898 31.405 1.00 0.00 WT1 O ATOM 3488 H1 TIP3 119 77.691 57.760 30.996 1.00 0.00 WT1 H ATOM 3489 H2 TIP3 119 77.963 57.085 32.323 1.00 0.00 WT1 H ATOM 3490 OH2 TIP3 120 64.972 53.602 -0.691 1.00 0.00 WT1 O ATOM 3491 H1 TIP3 120 64.070 53.421 -0.425 1.00 0.00 WT1 H ATOM 3492 H2 TIP3 120 64.958 54.515 -0.978 1.00 0.00 WT1 H ATOM 3493 OH2 TIP3 121 88.912 61.164 32.637 1.00 0.00 WT1 O ATOM 3494 H1 TIP3 121 89.860 61.228 32.753 1.00 0.00 WT1 H ATOM 3495 H2 TIP3 121 88.742 60.226 32.556 1.00 0.00 WT1 H ATOM 3496 OH2 TIP3 122 33.732 5.305 42.893 1.00 0.00 WT1 O ATOM 3497 H1 TIP3 122 33.653 6.257 42.954 1.00 0.00 WT1 H ATOM 3498 H2 TIP3 122 34.535 5.099 43.372 1.00 0.00 WT1 H ATOM 3499 OH2 TIP3 123 77.217 68.689 18.586 1.00 0.00 WT1 O ATOM 3500 H1 TIP3 123 76.559 68.152 18.144 1.00 0.00 WT1 H ATOM 3501 H2 TIP3 123 76.768 69.514 18.772 1.00 0.00 WT1 H ATOM 3502 OH2 TIP3 124 26.921 37.931 42.551 1.00 0.00 WT1 O ATOM 3503 H1 TIP3 124 26.570 37.541 41.750 1.00 0.00 WT1 H ATOM 3504 H2 TIP3 124 26.181 38.402 42.932 1.00 0.00 WT1 H ATOM 3505 OH2 TIP3 125 77.340 19.258 3.517 1.00 0.00 WT1 O ATOM 3506 H1 TIP3 125 77.166 19.175 2.580 1.00 0.00 WT1 H ATOM 3507 H2 TIP3 125 76.478 19.395 3.911 1.00 0.00 WT1 H ATOM 3508 OH2 TIP3 126 57.007 3.933 17.684 1.00 0.00 WT1 O ATOM 3509 H1 TIP3 126 57.169 3.541 18.542 1.00 0.00 WT1 H ATOM 3510 H2 TIP3 126 57.864 3.940 17.257 1.00 0.00 WT1 H ATOM 3511 OH2 TIP3 127 76.561 15.406 57.366 1.00 0.00 WT1 O ATOM 3512 H1 TIP3 127 77.253 14.944 56.893 1.00 0.00 WT1 H ATOM 3513 H2 TIP3 127 76.585 15.037 58.249 1.00 0.00 WT1 H ATOM 3514 OH2 TIP3 128 78.296 2.502 39.184 1.00 0.00 WT1 O ATOM 3515 H1 TIP3 128 78.997 2.434 38.535 1.00 0.00 WT1 H ATOM 3516 H2 TIP3 128 77.838 3.312 38.957 1.00 0.00 WT1 H ATOM 3517 OH2 TIP3 129 27.301 37.649 -4.542 1.00 0.00 WT1 O ATOM 3518 H1 TIP3 129 28.234 37.437 -4.529 1.00 0.00 WT1 H ATOM 3519 H2 TIP3 129 27.176 38.230 -3.791 1.00 0.00 WT1 H ATOM 3520 OH2 TIP3 130 23.931 36.973 22.288 1.00 0.00 WT1 O ATOM 3521 H1 TIP3 130 24.169 37.731 22.822 1.00 0.00 WT1 H ATOM 3522 H2 TIP3 130 23.613 36.326 22.918 1.00 0.00 WT1 H ATOM 3523 OH2 TIP3 131 47.281 54.199 2.942 1.00 0.00 WT1 O ATOM 3524 H1 TIP3 131 47.884 54.897 3.197 1.00 0.00 WT1 H ATOM 3525 H2 TIP3 131 47.388 53.531 3.619 1.00 0.00 WT1 H ATOM 3526 OH2 TIP3 132 20.264 54.134 3.342 1.00 0.00 WT1 O ATOM 3527 H1 TIP3 132 20.237 53.390 3.943 1.00 0.00 WT1 H ATOM 3528 H2 TIP3 132 20.707 53.797 2.563 1.00 0.00 WT1 H ATOM 3529 OH2 TIP3 133 59.687 28.970 61.736 1.00 0.00 WT1 O ATOM 3530 H1 TIP3 133 60.188 29.187 62.523 1.00 0.00 WT1 H ATOM 3531 H2 TIP3 133 59.948 29.631 61.096 1.00 0.00 WT1 H ATOM 3532 OH2 TIP3 134 27.237 2.952 37.548 1.00 0.00 WT1 O ATOM 3533 H1 TIP3 134 27.611 2.779 38.412 1.00 0.00 WT1 H ATOM 3534 H2 TIP3 134 27.944 3.375 37.061 1.00 0.00 WT1 H ATOM 3535 OH2 TIP3 135 74.933 44.149 32.106 1.00 0.00 WT1 O ATOM 3536 H1 TIP3 135 74.404 43.577 31.550 1.00 0.00 WT1 H ATOM 3537 H2 TIP3 135 74.293 44.689 32.572 1.00 0.00 WT1 H ATOM 3538 OH2 TIP3 136 49.705 21.854 -18.596 1.00 0.00 WT1 O ATOM 3539 H1 TIP3 136 50.090 20.979 -18.638 1.00 0.00 WT1 H ATOM 3540 H2 TIP3 136 50.426 22.420 -18.320 1.00 0.00 WT1 H ATOM 3541 OH2 TIP3 137 42.847 21.404 4.058 1.00 0.00 WT1 O ATOM 3542 H1 TIP3 137 43.029 21.273 4.988 1.00 0.00 WT1 H ATOM 3543 H2 TIP3 137 42.172 20.758 3.852 1.00 0.00 WT1 H ATOM 3544 OH2 TIP3 138 27.084 33.378 43.448 1.00 0.00 WT1 O ATOM 3545 H1 TIP3 138 26.171 33.666 43.456 1.00 0.00 WT1 H ATOM 3546 H2 TIP3 138 27.035 32.425 43.514 1.00 0.00 WT1 H ATOM 3547 OH2 TIP3 139 83.223 30.402 39.478 1.00 0.00 WT1 O ATOM 3548 H1 TIP3 139 83.187 31.195 40.012 1.00 0.00 WT1 H ATOM 3549 H2 TIP3 139 83.665 30.673 38.673 1.00 0.00 WT1 H ATOM 3550 OH2 TIP3 140 62.668 23.546 40.075 1.00 0.00 WT1 O ATOM 3551 H1 TIP3 140 61.878 23.342 39.575 1.00 0.00 WT1 H ATOM 3552 H2 TIP3 140 63.194 22.747 40.028 1.00 0.00 WT1 H ATOM 3553 OH2 TIP3 141 73.464 83.120 57.013 1.00 0.00 WT1 O ATOM 3554 H1 TIP3 141 72.908 83.881 57.178 1.00 0.00 WT1 H ATOM 3555 H2 TIP3 141 73.043 82.669 56.281 1.00 0.00 WT1 H ATOM 3556 OH2 TIP3 142 72.220 54.390 28.042 1.00 0.00 WT1 O ATOM 3557 H1 TIP3 142 71.730 55.154 28.346 1.00 0.00 WT1 H ATOM 3558 H2 TIP3 142 71.770 54.119 27.242 1.00 0.00 WT1 H ATOM 3559 OH2 TIP3 143 65.174 87.261 1.305 1.00 0.00 WT1 O ATOM 3560 H1 TIP3 143 65.095 87.157 2.253 1.00 0.00 WT1 H ATOM 3561 H2 TIP3 143 65.600 86.456 1.010 1.00 0.00 WT1 H ATOM 3562 OH2 TIP3 144 43.346 59.253 -10.542 1.00 0.00 WT1 O ATOM 3563 H1 TIP3 144 43.152 58.984 -9.644 1.00 0.00 WT1 H ATOM 3564 H2 TIP3 144 44.264 59.015 -10.671 1.00 0.00 WT1 H ATOM 3565 OH2 TIP3 145 89.639 84.900 9.134 1.00 0.00 WT1 O ATOM 3566 H1 TIP3 145 90.538 84.657 9.358 1.00 0.00 WT1 H ATOM 3567 H2 TIP3 145 89.660 85.054 8.190 1.00 0.00 WT1 H ATOM 3568 OH2 TIP3 146 88.475 62.645 23.675 1.00 0.00 WT1 O ATOM 3569 H1 TIP3 146 89.178 62.050 23.937 1.00 0.00 WT1 H ATOM 3570 H2 TIP3 146 87.772 62.068 23.378 1.00 0.00 WT1 H ATOM 3571 OH2 TIP3 147 75.830 12.750 -2.365 1.00 0.00 WT1 O ATOM 3572 H1 TIP3 147 75.147 12.254 -1.914 1.00 0.00 WT1 H ATOM 3573 H2 TIP3 147 75.356 13.288 -2.999 1.00 0.00 WT1 H ATOM 3574 OH2 TIP3 148 72.579 27.777 46.109 1.00 0.00 WT1 O ATOM 3575 H1 TIP3 148 72.649 28.250 45.279 1.00 0.00 WT1 H ATOM 3576 H2 TIP3 148 72.214 26.925 45.870 1.00 0.00 WT1 H ATOM 3577 OH2 TIP3 149 47.417 30.309 49.443 1.00 0.00 WT1 O ATOM 3578 H1 TIP3 149 46.705 30.674 49.969 1.00 0.00 WT1 H ATOM 3579 H2 TIP3 149 48.215 30.603 49.882 1.00 0.00 WT1 H ATOM 3580 OH2 TIP3 150 34.217 25.548 -10.673 1.00 0.00 WT1 O ATOM 3581 H1 TIP3 150 34.192 24.611 -10.864 1.00 0.00 WT1 H ATOM 3582 H2 TIP3 150 34.797 25.914 -11.342 1.00 0.00 WT1 H ATOM 3583 OH2 TIP3 151 37.986 31.683 60.901 1.00 0.00 WT1 O ATOM 3584 H1 TIP3 151 38.035 32.508 61.382 1.00 0.00 WT1 H ATOM 3585 H2 TIP3 151 37.776 31.028 61.567 1.00 0.00 WT1 H ATOM 3586 OH2 TIP3 152 33.254 25.217 -5.893 1.00 0.00 WT1 O ATOM 3587 H1 TIP3 152 33.821 25.515 -6.604 1.00 0.00 WT1 H ATOM 3588 H2 TIP3 152 33.846 25.090 -5.151 1.00 0.00 WT1 H ATOM 3589 OH2 TIP3 153 58.158 11.421 28.197 1.00 0.00 WT1 O ATOM 3590 H1 TIP3 153 58.653 12.240 28.205 1.00 0.00 WT1 H ATOM 3591 H2 TIP3 153 57.480 11.544 28.862 1.00 0.00 WT1 H ATOM 3592 OH2 TIP3 154 87.829 48.203 65.811 1.00 0.00 WT1 O ATOM 3593 H1 TIP3 154 87.502 48.575 64.992 1.00 0.00 WT1 H ATOM 3594 H2 TIP3 154 87.040 47.964 66.298 1.00 0.00 WT1 H ATOM 3595 OH2 TIP3 155 52.716 51.850 -2.650 1.00 0.00 WT1 O ATOM 3596 H1 TIP3 155 52.081 51.217 -2.315 1.00 0.00 WT1 H ATOM 3597 H2 TIP3 155 52.929 52.399 -1.896 1.00 0.00 WT1 H ATOM 3598 OH2 TIP3 156 47.912 58.941 7.105 1.00 0.00 WT1 O ATOM 3599 H1 TIP3 156 48.636 58.540 6.624 1.00 0.00 WT1 H ATOM 3600 H2 TIP3 156 48.331 59.588 7.673 1.00 0.00 WT1 H ATOM 3601 OH2 TIP3 157 58.795 53.555 66.693 1.00 0.00 WT1 O ATOM 3602 H1 TIP3 157 59.371 54.312 66.797 1.00 0.00 WT1 H ATOM 3603 H2 TIP3 157 57.968 53.827 67.091 1.00 0.00 WT1 H ATOM 3604 OH2 TIP3 158 77.183 4.703 -0.308 1.00 0.00 WT1 O ATOM 3605 H1 TIP3 158 77.708 4.825 0.482 1.00 0.00 WT1 H ATOM 3606 H2 TIP3 158 76.534 4.042 -0.066 1.00 0.00 WT1 H ATOM 3607 OH2 TIP3 159 60.088 28.730 37.271 1.00 0.00 WT1 O ATOM 3608 H1 TIP3 159 60.974 28.416 37.092 1.00 0.00 WT1 H ATOM 3609 H2 TIP3 159 59.579 28.464 36.506 1.00 0.00 WT1 H ATOM 3610 OH2 TIP3 160 32.165 36.460 -12.001 1.00 0.00 WT1 O ATOM 3611 H1 TIP3 160 32.858 37.113 -11.905 1.00 0.00 WT1 H ATOM 3612 H2 TIP3 160 32.593 35.625 -11.809 1.00 0.00 WT1 H ATOM 3613 OH2 TIP3 161 72.993 10.136 54.043 1.00 0.00 WT1 O ATOM 3614 H1 TIP3 161 72.609 9.491 54.637 1.00 0.00 WT1 H ATOM 3615 H2 TIP3 161 72.541 9.995 53.211 1.00 0.00 WT1 H ATOM 3616 OH2 TIP3 162 48.961 30.076 37.427 1.00 0.00 WT1 O ATOM 3617 H1 TIP3 162 48.945 29.183 37.083 1.00 0.00 WT1 H ATOM 3618 H2 TIP3 162 48.257 30.526 36.961 1.00 0.00 WT1 H ATOM 3619 OH2 TIP3 163 40.695 55.233 16.055 1.00 0.00 WT1 O ATOM 3620 H1 TIP3 163 40.274 54.923 16.857 1.00 0.00 WT1 H ATOM 3621 H2 TIP3 163 41.175 56.017 16.324 1.00 0.00 WT1 H ATOM 3622 OH2 TIP3 164 53.274 31.474 53.039 1.00 0.00 WT1 O ATOM 3623 H1 TIP3 164 54.156 31.363 52.683 1.00 0.00 WT1 H ATOM 3624 H2 TIP3 164 52.900 32.195 52.533 1.00 0.00 WT1 H ATOM 3625 OH2 TIP3 165 33.144 17.713 66.927 1.00 0.00 WT1 O ATOM 3626 H1 TIP3 165 32.437 17.991 67.509 1.00 0.00 WT1 H ATOM 3627 H2 TIP3 165 32.733 17.644 66.066 1.00 0.00 WT1 H ATOM 3628 OH2 TIP3 166 48.617 43.869 9.791 1.00 0.00 WT1 O ATOM 3629 H1 TIP3 166 48.570 42.917 9.880 1.00 0.00 WT1 H ATOM 3630 H2 TIP3 166 48.609 44.194 10.691 1.00 0.00 WT1 H ATOM 3631 OH2 TIP3 167 83.156 46.072 -18.653 1.00 0.00 WT1 O ATOM 3632 H1 TIP3 167 82.325 46.030 -19.127 1.00 0.00 WT1 H ATOM 3633 H2 TIP3 167 82.999 46.704 -17.951 1.00 0.00 WT1 H ATOM 3634 OH2 TIP3 168 56.688 60.115 61.815 1.00 0.00 WT1 O ATOM 3635 H1 TIP3 168 56.475 59.650 61.006 1.00 0.00 WT1 H ATOM 3636 H2 TIP3 168 56.211 59.640 62.496 1.00 0.00 WT1 H ATOM 3637 OH2 TIP3 169 66.266 8.401 31.943 1.00 0.00 WT1 O ATOM 3638 H1 TIP3 169 66.153 8.300 32.889 1.00 0.00 WT1 H ATOM 3639 H2 TIP3 169 66.073 9.323 31.775 1.00 0.00 WT1 H ATOM 3640 OH2 TIP3 170 39.321 73.577 22.713 1.00 0.00 WT1 O ATOM 3641 H1 TIP3 170 39.241 72.655 22.957 1.00 0.00 WT1 H ATOM 3642 H2 TIP3 170 40.251 73.695 22.522 1.00 0.00 WT1 H ATOM 3643 OH2 TIP3 171 73.600 61.686 21.338 1.00 0.00 WT1 O ATOM 3644 H1 TIP3 171 73.561 60.742 21.182 1.00 0.00 WT1 H ATOM 3645 H2 TIP3 171 73.006 61.832 22.073 1.00 0.00 WT1 H ATOM 3646 OH2 TIP3 172 22.455 39.019 47.516 1.00 0.00 WT1 O ATOM 3647 H1 TIP3 172 22.166 39.523 46.755 1.00 0.00 WT1 H ATOM 3648 H2 TIP3 172 22.052 39.461 48.263 1.00 0.00 WT1 H ATOM 3649 OH2 TIP3 173 62.296 32.659 17.672 1.00 0.00 WT1 O ATOM 3650 H1 TIP3 173 61.782 31.860 17.786 1.00 0.00 WT1 H ATOM 3651 H2 TIP3 173 61.762 33.209 17.099 1.00 0.00 WT1 H ATOM 3652 OH2 TIP3 174 74.871 48.648 67.005 1.00 0.00 WT1 O ATOM 3653 H1 TIP3 174 73.930 48.768 66.883 1.00 0.00 WT1 H ATOM 3654 H2 TIP3 174 75.117 49.314 67.647 1.00 0.00 WT1 H ATOM 3655 OH2 TIP3 176 20.951 52.383 11.868 1.00 0.00 WT1 O ATOM 3656 H1 TIP3 176 21.277 51.898 12.626 1.00 0.00 WT1 H ATOM 3657 H2 TIP3 176 21.249 53.282 12.013 1.00 0.00 WT1 H ATOM 3658 OH2 TIP3 177 84.453 85.118 39.518 1.00 0.00 WT1 O ATOM 3659 H1 TIP3 177 84.270 84.441 38.866 1.00 0.00 WT1 H ATOM 3660 H2 TIP3 177 83.797 85.795 39.350 1.00 0.00 WT1 H ATOM 3661 OH2 TIP3 178 89.827 37.240 1.475 1.00 0.00 WT1 O ATOM 3662 H1 TIP3 178 90.639 37.652 1.178 1.00 0.00 WT1 H ATOM 3663 H2 TIP3 178 90.082 36.347 1.706 1.00 0.00 WT1 H ATOM 3664 OH2 TIP3 179 36.221 38.349 25.271 1.00 0.00 WT1 O ATOM 3665 H1 TIP3 179 37.111 37.997 25.299 1.00 0.00 WT1 H ATOM 3666 H2 TIP3 179 36.314 39.203 24.849 1.00 0.00 WT1 H ATOM 3667 OH2 TIP3 180 38.843 27.000 -2.117 1.00 0.00 WT1 O ATOM 3668 H1 TIP3 180 38.518 26.869 -3.008 1.00 0.00 WT1 H ATOM 3669 H2 TIP3 180 38.376 26.350 -1.593 1.00 0.00 WT1 H ATOM 3670 OH2 TIP3 181 30.057 18.018 51.496 1.00 0.00 WT1 O ATOM 3671 H1 TIP3 181 29.986 17.633 52.369 1.00 0.00 WT1 H ATOM 3672 H2 TIP3 181 30.000 18.962 51.644 1.00 0.00 WT1 H ATOM 3673 OH2 TIP3 182 40.672 42.070 -13.006 1.00 0.00 WT1 O ATOM 3674 H1 TIP3 182 40.422 42.983 -12.862 1.00 0.00 WT1 H ATOM 3675 H2 TIP3 182 41.041 41.787 -12.170 1.00 0.00 WT1 H ATOM 3676 OH2 TIP3 183 40.667 88.002 26.226 1.00 0.00 WT1 O ATOM 3677 H1 TIP3 183 41.398 88.177 25.634 1.00 0.00 WT1 H ATOM 3678 H2 TIP3 183 39.937 88.503 25.863 1.00 0.00 WT1 H ATOM 3679 OH2 TIP3 184 37.120 53.502 -0.834 1.00 0.00 WT1 O ATOM 3680 H1 TIP3 184 37.055 54.422 -1.092 1.00 0.00 WT1 H ATOM 3681 H2 TIP3 184 37.494 53.064 -1.599 1.00 0.00 WT1 H ATOM 3682 OH2 TIP3 185 42.741 9.812 -8.067 1.00 0.00 WT1 O ATOM 3683 H1 TIP3 185 42.820 8.945 -7.669 1.00 0.00 WT1 H ATOM 3684 H2 TIP3 185 43.384 10.348 -7.602 1.00 0.00 WT1 H ATOM 3685 OH2 TIP3 186 72.636 21.658 53.952 1.00 0.00 WT1 O ATOM 3686 H1 TIP3 186 72.649 21.236 53.093 1.00 0.00 WT1 H ATOM 3687 H2 TIP3 186 72.148 21.052 54.510 1.00 0.00 WT1 H ATOM 3688 OH2 TIP3 187 51.457 31.405 42.007 1.00 0.00 WT1 O ATOM 3689 H1 TIP3 187 51.061 30.647 41.577 1.00 0.00 WT1 H ATOM 3690 H2 TIP3 187 50.920 32.147 41.729 1.00 0.00 WT1 H ATOM 3691 OH2 TIP3 188 34.986 2.334 63.745 1.00 0.00 WT1 O ATOM 3692 H1 TIP3 188 34.074 2.129 63.952 1.00 0.00 WT1 H ATOM 3693 H2 TIP3 188 35.392 1.482 63.585 1.00 0.00 WT1 H ATOM 3694 OH2 TIP3 190 28.064 5.502 -0.101 1.00 0.00 WT1 O ATOM 3695 H1 TIP3 190 27.768 5.153 -0.941 1.00 0.00 WT1 H ATOM 3696 H2 TIP3 190 27.274 5.866 0.299 1.00 0.00 WT1 H ATOM 3697 OH2 TIP3 191 65.280 18.265 -0.405 1.00 0.00 WT1 O ATOM 3698 H1 TIP3 191 64.433 18.103 -0.821 1.00 0.00 WT1 H ATOM 3699 H2 TIP3 191 65.247 17.764 0.410 1.00 0.00 WT1 H ATOM 3700 OH2 TIP3 192 29.120 60.239 13.037 1.00 0.00 WT1 O ATOM 3701 H1 TIP3 192 29.046 59.672 13.804 1.00 0.00 WT1 H ATOM 3702 H2 TIP3 192 30.061 60.299 12.873 1.00 0.00 WT1 H ATOM 3703 OH2 TIP3 193 25.063 10.339 43.169 1.00 0.00 WT1 O ATOM 3704 H1 TIP3 193 25.078 9.578 42.588 1.00 0.00 WT1 H ATOM 3705 H2 TIP3 193 25.972 10.448 43.447 1.00 0.00 WT1 H ATOM 3706 OH2 TIP3 195 86.870 38.546 11.268 1.00 0.00 WT1 O ATOM 3707 H1 TIP3 195 87.716 38.881 10.971 1.00 0.00 WT1 H ATOM 3708 H2 TIP3 195 86.480 38.154 10.486 1.00 0.00 WT1 H ATOM 3709 OH2 TIP3 196 73.232 62.523 63.200 1.00 0.00 WT1 O ATOM 3710 H1 TIP3 196 73.501 63.065 62.458 1.00 0.00 WT1 H ATOM 3711 H2 TIP3 196 73.800 61.754 63.154 1.00 0.00 WT1 H ATOM 3712 OH2 TIP3 198 67.543 96.016 8.634 1.00 0.00 WT1 O ATOM 3713 H1 TIP3 198 67.676 95.072 8.550 1.00 0.00 WT1 H ATOM 3714 H2 TIP3 198 68.374 96.401 8.354 1.00 0.00 WT1 H ATOM 3715 OH2 TIP3 199 64.088 38.775 -0.902 1.00 0.00 WT1 O ATOM 3716 H1 TIP3 199 64.023 39.137 -0.019 1.00 0.00 WT1 H ATOM 3717 H2 TIP3 199 64.558 39.443 -1.402 1.00 0.00 WT1 H ATOM 3718 OH2 TIP3 200 52.653 19.183 16.873 1.00 0.00 WT1 O ATOM 3719 H1 TIP3 200 52.229 18.487 16.372 1.00 0.00 WT1 H ATOM 3720 H2 TIP3 200 51.964 19.833 17.012 1.00 0.00 WT1 H ATOM 3721 OH2 TIP3 201 78.415 48.911 -12.597 1.00 0.00 WT1 O ATOM 3722 H1 TIP3 201 78.428 49.605 -11.938 1.00 0.00 WT1 H ATOM 3723 H2 TIP3 201 78.797 48.153 -12.154 1.00 0.00 WT1 H ATOM 3724 OH2 TIP3 202 22.420 42.548 65.504 1.00 0.00 WT1 O ATOM 3725 H1 TIP3 202 21.556 42.929 65.350 1.00 0.00 WT1 H ATOM 3726 H2 TIP3 202 23.034 43.255 65.301 1.00 0.00 WT1 H ATOM 3727 OH2 TIP3 203 56.048 42.795 -19.112 1.00 0.00 WT1 O ATOM 3728 H1 TIP3 203 55.172 43.035 -19.414 1.00 0.00 WT1 H ATOM 3729 H2 TIP3 203 56.584 43.567 -19.294 1.00 0.00 WT1 H ATOM 3730 OH2 TIP3 204 55.989 84.891 -12.584 1.00 0.00 WT1 O ATOM 3731 H1 TIP3 204 56.207 84.067 -13.020 1.00 0.00 WT1 H ATOM 3732 H2 TIP3 204 55.096 84.763 -12.262 1.00 0.00 WT1 H ATOM 3733 OH2 TIP3 205 68.812 48.667 37.842 1.00 0.00 WT1 O ATOM 3734 H1 TIP3 205 68.421 49.388 37.350 1.00 0.00 WT1 H ATOM 3735 H2 TIP3 205 68.357 48.676 38.684 1.00 0.00 WT1 H ATOM 3736 OH2 TIP3 206 35.337 53.399 1.260 1.00 0.00 WT1 O ATOM 3737 H1 TIP3 206 35.782 53.766 2.024 1.00 0.00 WT1 H ATOM 3738 H2 TIP3 206 36.027 53.300 0.604 1.00 0.00 WT1 H ATOM 3739 OH2 TIP3 207 53.313 21.110 24.709 1.00 0.00 WT1 O ATOM 3740 H1 TIP3 207 52.532 21.096 24.155 1.00 0.00 WT1 H ATOM 3741 H2 TIP3 207 53.483 22.040 24.861 1.00 0.00 WT1 H ATOM 3742 OH2 TIP3 208 42.894 42.384 10.886 1.00 0.00 WT1 O ATOM 3743 H1 TIP3 208 43.416 43.023 11.372 1.00 0.00 WT1 H ATOM 3744 H2 TIP3 208 43.457 42.119 10.159 1.00 0.00 WT1 H ATOM 3745 OH2 TIP3 209 84.469 16.630 47.707 1.00 0.00 WT1 O ATOM 3746 H1 TIP3 209 84.219 16.152 46.916 1.00 0.00 WT1 H ATOM 3747 H2 TIP3 209 84.228 16.047 48.427 1.00 0.00 WT1 H ATOM 3748 OH2 TIP3 210 90.436 47.553 31.931 1.00 0.00 WT1 O ATOM 3749 H1 TIP3 210 89.947 48.350 32.137 1.00 0.00 WT1 H ATOM 3750 H2 TIP3 210 89.770 46.866 31.892 1.00 0.00 WT1 H ATOM 3751 OH2 TIP3 211 72.235 6.346 65.718 1.00 0.00 WT1 O ATOM 3752 H1 TIP3 211 72.791 6.003 65.017 1.00 0.00 WT1 H ATOM 3753 H2 TIP3 211 72.808 6.931 66.214 1.00 0.00 WT1 H ATOM 3754 OH2 TIP3 212 64.453 21.632 37.285 1.00 0.00 WT1 O ATOM 3755 H1 TIP3 212 65.076 22.341 37.128 1.00 0.00 WT1 H ATOM 3756 H2 TIP3 212 64.369 21.593 38.238 1.00 0.00 WT1 H ATOM 3757 OH2 TIP3 213 71.073 48.909 42.604 1.00 0.00 WT1 O ATOM 3758 H1 TIP3 213 70.653 49.767 42.665 1.00 0.00 WT1 H ATOM 3759 H2 TIP3 213 71.971 49.060 42.900 1.00 0.00 WT1 H ATOM 3760 OH2 TIP3 214 50.860 84.646 20.316 1.00 0.00 WT1 O ATOM 3761 H1 TIP3 214 50.672 83.709 20.383 1.00 0.00 WT1 H ATOM 3762 H2 TIP3 214 51.713 84.689 19.883 1.00 0.00 WT1 H ATOM 3763 OH2 TIP3 215 83.938 41.530 18.671 1.00 0.00 WT1 O ATOM 3764 H1 TIP3 215 84.876 41.355 18.743 1.00 0.00 WT1 H ATOM 3765 H2 TIP3 215 83.846 42.451 18.918 1.00 0.00 WT1 H ATOM 3766 OH2 TIP3 216 51.507 70.328 40.885 1.00 0.00 WT1 O ATOM 3767 H1 TIP3 216 51.914 69.467 40.977 1.00 0.00 WT1 H ATOM 3768 H2 TIP3 216 50.566 70.150 40.888 1.00 0.00 WT1 H ATOM 3769 OH2 TIP3 217 83.611 13.113 51.443 1.00 0.00 WT1 O ATOM 3770 H1 TIP3 217 84.361 12.616 51.770 1.00 0.00 WT1 H ATOM 3771 H2 TIP3 217 82.864 12.771 51.935 1.00 0.00 WT1 H ATOM 3772 OH2 TIP3 219 49.249 31.421 15.212 1.00 0.00 WT1 O ATOM 3773 H1 TIP3 219 49.162 30.468 15.252 1.00 0.00 WT1 H ATOM 3774 H2 TIP3 219 49.410 31.685 16.117 1.00 0.00 WT1 H ATOM 3775 OH2 TIP3 220 82.867 32.255 -1.804 1.00 0.00 WT1 O ATOM 3776 H1 TIP3 220 82.373 32.074 -1.005 1.00 0.00 WT1 H ATOM 3777 H2 TIP3 220 83.698 32.617 -1.497 1.00 0.00 WT1 H ATOM 3778 OH2 TIP3 221 63.134 29.099 50.431 1.00 0.00 WT1 O ATOM 3779 H1 TIP3 221 62.533 28.745 49.776 1.00 0.00 WT1 H ATOM 3780 H2 TIP3 221 63.682 28.355 50.682 1.00 0.00 WT1 H ATOM 3781 OH2 TIP3 222 37.956 33.374 -9.984 1.00 0.00 WT1 O ATOM 3782 H1 TIP3 222 38.384 33.932 -9.335 1.00 0.00 WT1 H ATOM 3783 H2 TIP3 222 38.187 33.764 -10.827 1.00 0.00 WT1 H ATOM 3784 OH2 TIP3 223 22.526 82.804 57.099 1.00 0.00 WT1 O ATOM 3785 H1 TIP3 223 22.105 83.513 57.585 1.00 0.00 WT1 H ATOM 3786 H2 TIP3 223 21.827 82.165 56.954 1.00 0.00 WT1 H ATOM 3787 OH2 TIP3 224 23.854 31.190 8.503 1.00 0.00 WT1 O ATOM 3788 H1 TIP3 224 23.872 30.524 9.190 1.00 0.00 WT1 H ATOM 3789 H2 TIP3 224 24.355 31.921 8.865 1.00 0.00 WT1 H ATOM 3790 OH2 TIP3 225 73.935 87.272 48.105 1.00 0.00 WT1 O ATOM 3791 H1 TIP3 225 74.733 86.766 48.256 1.00 0.00 WT1 H ATOM 3792 H2 TIP3 225 74.092 88.105 48.548 1.00 0.00 WT1 H ATOM 3793 OH2 TIP3 226 44.898 25.207 48.507 1.00 0.00 WT1 O ATOM 3794 H1 TIP3 226 45.231 25.950 48.004 1.00 0.00 WT1 H ATOM 3795 H2 TIP3 226 44.584 25.593 49.325 1.00 0.00 WT1 H ATOM 3796 OH2 TIP3 227 26.103 47.931 -10.376 1.00 0.00 WT1 O ATOM 3797 H1 TIP3 227 26.719 48.633 -10.587 1.00 0.00 WT1 H ATOM 3798 H2 TIP3 227 25.354 48.089 -10.951 1.00 0.00 WT1 H ATOM 3799 OH2 TIP3 228 90.438 20.603 -10.629 1.00 0.00 WT1 O ATOM 3800 H1 TIP3 228 89.952 20.037 -10.029 1.00 0.00 WT1 H ATOM 3801 H2 TIP3 228 89.762 21.050 -11.137 1.00 0.00 WT1 H ATOM 3802 OH2 TIP3 229 52.122 2.136 60.592 1.00 0.00 WT1 O ATOM 3803 H1 TIP3 229 52.705 1.596 60.059 1.00 0.00 WT1 H ATOM 3804 H2 TIP3 229 52.556 2.988 60.635 1.00 0.00 WT1 H ATOM 3805 OH2 TIP3 230 33.354 52.396 -14.218 1.00 0.00 WT1 O ATOM 3806 H1 TIP3 230 32.908 53.060 -14.745 1.00 0.00 WT1 H ATOM 3807 H2 TIP3 230 33.607 52.855 -13.418 1.00 0.00 WT1 H ATOM 3808 OH2 TIP3 231 81.840 42.967 67.402 1.00 0.00 WT1 O ATOM 3809 H1 TIP3 231 81.371 43.150 66.588 1.00 0.00 WT1 H ATOM 3810 H2 TIP3 231 82.765 43.006 67.160 1.00 0.00 WT1 H ATOM 3811 OH2 TIP3 232 57.587 90.675 43.716 1.00 0.00 WT1 O ATOM 3812 H1 TIP3 232 58.489 90.970 43.592 1.00 0.00 WT1 H ATOM 3813 H2 TIP3 232 57.135 90.942 42.915 1.00 0.00 WT1 H ATOM 3814 OH2 TIP3 233 78.660 43.753 -12.699 1.00 0.00 WT1 O ATOM 3815 H1 TIP3 233 78.742 43.164 -11.949 1.00 0.00 WT1 H ATOM 3816 H2 TIP3 233 78.659 44.630 -12.316 1.00 0.00 WT1 H ATOM 3817 OH2 TIP3 234 27.412 81.667 26.570 1.00 0.00 WT1 O ATOM 3818 H1 TIP3 234 27.959 82.414 26.328 1.00 0.00 WT1 H ATOM 3819 H2 TIP3 234 27.534 81.576 27.515 1.00 0.00 WT1 H ATOM 3820 OH2 TIP3 235 36.659 61.026 -2.874 1.00 0.00 WT1 O ATOM 3821 H1 TIP3 235 37.069 61.875 -2.706 1.00 0.00 WT1 H ATOM 3822 H2 TIP3 235 36.664 60.585 -2.024 1.00 0.00 WT1 H ATOM 3823 OH2 TIP3 236 82.534 48.215 -1.343 1.00 0.00 WT1 O ATOM 3824 H1 TIP3 236 81.609 48.202 -1.586 1.00 0.00 WT1 H ATOM 3825 H2 TIP3 236 82.531 48.194 -0.386 1.00 0.00 WT1 H ATOM 3826 OH2 TIP3 237 39.536 42.660 -3.153 1.00 0.00 WT1 O ATOM 3827 H1 TIP3 237 39.305 43.179 -2.383 1.00 0.00 WT1 H ATOM 3828 H2 TIP3 237 39.754 43.308 -3.823 1.00 0.00 WT1 H ATOM 3829 OH2 TIP3 238 66.992 53.967 26.092 1.00 0.00 WT1 O ATOM 3830 H1 TIP3 238 67.407 54.601 26.676 1.00 0.00 WT1 H ATOM 3831 H2 TIP3 238 66.116 53.841 26.457 1.00 0.00 WT1 H ATOM 3832 OH2 TIP3 239 37.123 14.514 37.373 1.00 0.00 WT1 O ATOM 3833 H1 TIP3 239 38.001 14.848 37.558 1.00 0.00 WT1 H ATOM 3834 H2 TIP3 239 37.106 14.394 36.424 1.00 0.00 WT1 H ATOM 3835 OH2 TIP3 240 78.110 61.758 17.378 1.00 0.00 WT1 O ATOM 3836 H1 TIP3 240 77.621 61.050 17.797 1.00 0.00 WT1 H ATOM 3837 H2 TIP3 240 77.644 61.918 16.557 1.00 0.00 WT1 H ATOM 3838 OH2 TIP3 241 78.235 19.609 -16.749 1.00 0.00 WT1 O ATOM 3839 H1 TIP3 241 78.425 18.722 -17.055 1.00 0.00 WT1 H ATOM 3840 H2 TIP3 241 79.091 19.973 -16.524 1.00 0.00 WT1 H ATOM 3841 OH2 TIP3 242 86.652 39.509 23.428 1.00 0.00 WT1 O ATOM 3842 H1 TIP3 242 85.751 39.393 23.732 1.00 0.00 WT1 H ATOM 3843 H2 TIP3 242 86.572 40.058 22.648 1.00 0.00 WT1 H ATOM 3844 OH2 TIP3 243 73.574 49.825 19.275 1.00 0.00 WT1 O ATOM 3845 H1 TIP3 243 72.684 49.631 19.572 1.00 0.00 WT1 H ATOM 3846 H2 TIP3 243 74.052 49.005 19.401 1.00 0.00 WT1 H ATOM 3847 OH2 TIP3 244 80.577 37.326 0.642 1.00 0.00 WT1 O ATOM 3848 H1 TIP3 244 80.697 36.918 1.499 1.00 0.00 WT1 H ATOM 3849 H2 TIP3 244 79.826 37.908 0.756 1.00 0.00 WT1 H ATOM 3850 OH2 TIP3 245 35.548 16.788 -16.572 1.00 0.00 WT1 O ATOM 3851 H1 TIP3 245 36.409 17.140 -16.347 1.00 0.00 WT1 H ATOM 3852 H2 TIP3 245 35.169 16.524 -15.733 1.00 0.00 WT1 H ATOM 3853 OH2 TIP3 246 46.592 42.029 22.620 1.00 0.00 WT1 O ATOM 3854 H1 TIP3 246 46.670 42.978 22.719 1.00 0.00 WT1 H ATOM 3855 H2 TIP3 246 47.175 41.815 21.892 1.00 0.00 WT1 H ATOM 3856 OH2 TIP3 247 37.702 39.000 65.183 1.00 0.00 WT1 O ATOM 3857 H1 TIP3 247 36.787 39.280 65.157 1.00 0.00 WT1 H ATOM 3858 H2 TIP3 247 38.203 39.816 65.180 1.00 0.00 WT1 H ATOM 3859 OH2 TIP3 248 32.740 90.786 38.623 1.00 0.00 WT1 O ATOM 3860 H1 TIP3 248 32.400 89.892 38.657 1.00 0.00 WT1 H ATOM 3861 H2 TIP3 248 31.974 91.341 38.766 1.00 0.00 WT1 H ATOM 3862 OH2 TIP3 249 33.203 76.784 29.251 1.00 0.00 WT1 O ATOM 3863 H1 TIP3 249 33.959 76.267 29.528 1.00 0.00 WT1 H ATOM 3864 H2 TIP3 249 33.569 77.637 29.014 1.00 0.00 WT1 H ATOM 3865 OH2 TIP3 250 24.665 27.125 65.489 1.00 0.00 WT1 O ATOM 3866 H1 TIP3 250 23.850 27.055 64.992 1.00 0.00 WT1 H ATOM 3867 H2 TIP3 250 24.614 27.983 65.912 1.00 0.00 WT1 H ATOM 3868 OH2 TIP3 251 52.975 10.077 62.006 1.00 0.00 WT1 O ATOM 3869 H1 TIP3 251 53.404 9.869 62.836 1.00 0.00 WT1 H ATOM 3870 H2 TIP3 251 52.767 11.009 62.071 1.00 0.00 WT1 H ATOM 3871 OH2 TIP3 252 64.596 92.946 -5.577 1.00 0.00 WT1 O ATOM 3872 H1 TIP3 252 64.750 93.117 -4.648 1.00 0.00 WT1 H ATOM 3873 H2 TIP3 252 63.817 93.461 -5.790 1.00 0.00 WT1 H ATOM 3874 OH2 TIP3 253 78.218 66.386 5.405 1.00 0.00 WT1 O ATOM 3875 H1 TIP3 253 78.819 66.613 4.695 1.00 0.00 WT1 H ATOM 3876 H2 TIP3 253 77.354 66.375 4.994 1.00 0.00 WT1 H ATOM 3877 OH2 TIP3 254 20.723 59.645 46.790 1.00 0.00 WT1 O ATOM 3878 H1 TIP3 254 19.831 59.764 47.117 1.00 0.00 WT1 H ATOM 3879 H2 TIP3 254 20.819 60.311 46.109 1.00 0.00 WT1 H ATOM 3880 OH2 TIP3 255 68.528 19.891 48.945 1.00 0.00 WT1 O ATOM 3881 H1 TIP3 255 67.670 19.475 48.865 1.00 0.00 WT1 H ATOM 3882 H2 TIP3 255 68.340 20.829 48.963 1.00 0.00 WT1 H ATOM 3883 OH2 TIP3 256 22.784 49.851 11.130 1.00 0.00 WT1 O ATOM 3884 H1 TIP3 256 23.145 50.733 11.043 1.00 0.00 WT1 H ATOM 3885 H2 TIP3 256 23.504 49.271 10.882 1.00 0.00 WT1 H ATOM 3886 OH2 TIP3 257 82.359 74.535 -7.475 1.00 0.00 WT1 O ATOM 3887 H1 TIP3 257 81.410 74.620 -7.388 1.00 0.00 WT1 H ATOM 3888 H2 TIP3 257 82.622 74.003 -6.724 1.00 0.00 WT1 H ATOM 3889 OH2 TIP3 258 52.466 77.017 34.100 1.00 0.00 WT1 O ATOM 3890 H1 TIP3 258 52.619 76.086 33.939 1.00 0.00 WT1 H ATOM 3891 H2 TIP3 258 51.627 77.199 33.676 1.00 0.00 WT1 H ATOM 3892 OH2 TIP3 259 40.224 71.740 3.915 1.00 0.00 WT1 O ATOM 3893 H1 TIP3 259 40.564 72.634 3.877 1.00 0.00 WT1 H ATOM 3894 H2 TIP3 259 39.301 71.844 4.147 1.00 0.00 WT1 H ATOM 3895 OH2 TIP3 260 83.034 37.689 21.900 1.00 0.00 WT1 O ATOM 3896 H1 TIP3 260 83.112 36.926 21.327 1.00 0.00 WT1 H ATOM 3897 H2 TIP3 260 82.099 37.892 21.903 1.00 0.00 WT1 H ATOM 3898 OH2 TIP3 261 45.280 6.956 56.863 1.00 0.00 WT1 O ATOM 3899 H1 TIP3 261 45.441 6.422 56.085 1.00 0.00 WT1 H ATOM 3900 H2 TIP3 261 44.736 7.678 56.551 1.00 0.00 WT1 H ATOM 3901 OH2 TIP3 262 41.754 43.061 7.521 1.00 0.00 WT1 O ATOM 3902 H1 TIP3 262 42.531 42.669 7.123 1.00 0.00 WT1 H ATOM 3903 H2 TIP3 262 41.155 43.204 6.788 1.00 0.00 WT1 H ATOM 3904 OH2 TIP3 263 62.717 55.746 29.679 1.00 0.00 WT1 O ATOM 3905 H1 TIP3 263 62.290 54.959 30.016 1.00 0.00 WT1 H ATOM 3906 H2 TIP3 263 62.302 55.900 28.830 1.00 0.00 WT1 H ATOM 3907 OH2 TIP3 264 68.654 94.012 37.454 1.00 0.00 WT1 O ATOM 3908 H1 TIP3 264 68.419 93.263 36.906 1.00 0.00 WT1 H ATOM 3909 H2 TIP3 264 69.125 93.629 38.194 1.00 0.00 WT1 H ATOM 3910 OH2 TIP3 265 47.375 66.104 58.630 1.00 0.00 WT1 O ATOM 3911 H1 TIP3 265 48.103 65.542 58.895 1.00 0.00 WT1 H ATOM 3912 H2 TIP3 265 46.768 66.074 59.370 1.00 0.00 WT1 H ATOM 3913 OH2 TIP3 266 54.791 10.011 -4.534 1.00 0.00 WT1 O ATOM 3914 H1 TIP3 266 55.261 9.184 -4.638 1.00 0.00 WT1 H ATOM 3915 H2 TIP3 266 54.641 10.085 -3.591 1.00 0.00 WT1 H ATOM 3916 OH2 TIP3 267 78.969 29.061 -17.986 1.00 0.00 WT1 O ATOM 3917 H1 TIP3 267 78.825 29.496 -17.145 1.00 0.00 WT1 H ATOM 3918 H2 TIP3 267 78.794 29.738 -18.639 1.00 0.00 WT1 H ATOM 3919 OH2 TIP3 268 65.462 14.748 57.071 1.00 0.00 WT1 O ATOM 3920 H1 TIP3 268 65.533 14.257 56.253 1.00 0.00 WT1 H ATOM 3921 H2 TIP3 268 65.770 14.140 57.743 1.00 0.00 WT1 H ATOM 3922 OH2 TIP3 269 72.738 26.748 33.089 1.00 0.00 WT1 O ATOM 3923 H1 TIP3 269 72.635 25.813 32.916 1.00 0.00 WT1 H ATOM 3924 H2 TIP3 269 73.430 27.029 32.490 1.00 0.00 WT1 H ATOM 3925 OH2 TIP3 270 51.230 38.884 44.427 1.00 0.00 WT1 O ATOM 3926 H1 TIP3 270 51.667 39.466 43.806 1.00 0.00 WT1 H ATOM 3927 H2 TIP3 270 50.344 39.237 44.504 1.00 0.00 WT1 H ATOM 3928 OH2 TIP3 271 28.849 28.306 4.203 1.00 0.00 WT1 O ATOM 3929 H1 TIP3 271 29.298 28.789 4.896 1.00 0.00 WT1 H ATOM 3930 H2 TIP3 271 27.922 28.359 4.435 1.00 0.00 WT1 H ATOM 3931 OH2 TIP3 272 88.521 64.774 17.408 1.00 0.00 WT1 O ATOM 3932 H1 TIP3 272 87.672 64.637 16.987 1.00 0.00 WT1 H ATOM 3933 H2 TIP3 272 89.063 65.179 16.731 1.00 0.00 WT1 H ATOM 3934 OH2 TIP3 273 68.889 13.654 -18.403 1.00 0.00 WT1 O ATOM 3935 H1 TIP3 273 68.410 13.584 -19.229 1.00 0.00 WT1 H ATOM 3936 H2 TIP3 273 68.683 14.532 -18.081 1.00 0.00 WT1 H ATOM 3937 OH2 TIP3 274 68.295 18.903 -6.179 1.00 0.00 WT1 O ATOM 3938 H1 TIP3 274 68.854 19.655 -5.985 1.00 0.00 WT1 H ATOM 3939 H2 TIP3 274 68.114 18.511 -5.324 1.00 0.00 WT1 H ATOM 3940 OH2 TIP3 275 36.309 2.014 44.976 1.00 0.00 WT1 O ATOM 3941 H1 TIP3 275 36.250 2.223 45.908 1.00 0.00 WT1 H ATOM 3942 H2 TIP3 275 35.666 1.318 44.844 1.00 0.00 WT1 H ATOM 3943 OH2 TIP3 276 34.713 64.777 65.094 1.00 0.00 WT1 O ATOM 3944 H1 TIP3 276 34.085 64.118 64.795 1.00 0.00 WT1 H ATOM 3945 H2 TIP3 276 35.550 64.494 64.727 1.00 0.00 WT1 H ATOM 3946 OH2 TIP3 277 24.036 72.931 31.018 1.00 0.00 WT1 O ATOM 3947 H1 TIP3 277 23.789 72.159 30.509 1.00 0.00 WT1 H ATOM 3948 H2 TIP3 277 24.793 72.649 31.531 1.00 0.00 WT1 H ATOM 3949 OH2 TIP3 278 75.883 28.698 39.469 1.00 0.00 WT1 O ATOM 3950 H1 TIP3 278 75.254 28.598 40.184 1.00 0.00 WT1 H ATOM 3951 H2 TIP3 278 75.854 29.629 39.252 1.00 0.00 WT1 H ATOM 3952 OH2 TIP3 279 76.663 44.128 65.291 1.00 0.00 WT1 O ATOM 3953 H1 TIP3 279 76.069 43.408 65.077 1.00 0.00 WT1 H ATOM 3954 H2 TIP3 279 77.349 43.724 65.823 1.00 0.00 WT1 H ATOM 3955 OH2 TIP3 280 89.977 14.376 38.718 1.00 0.00 WT1 O ATOM 3956 H1 TIP3 280 90.014 15.324 38.592 1.00 0.00 WT1 H ATOM 3957 H2 TIP3 280 90.650 14.030 38.131 1.00 0.00 WT1 H ATOM 3958 OH2 TIP3 281 42.296 7.219 53.071 1.00 0.00 WT1 O ATOM 3959 H1 TIP3 281 42.923 6.496 53.057 1.00 0.00 WT1 H ATOM 3960 H2 TIP3 281 42.831 8.002 52.940 1.00 0.00 WT1 H ATOM 3961 OH2 TIP3 282 57.931 35.787 1.365 1.00 0.00 WT1 O ATOM 3962 H1 TIP3 282 57.119 35.343 1.609 1.00 0.00 WT1 H ATOM 3963 H2 TIP3 282 58.114 36.373 2.099 1.00 0.00 WT1 H ATOM 3964 OH2 TIP3 283 67.046 74.613 52.080 1.00 0.00 WT1 O ATOM 3965 H1 TIP3 283 67.860 75.057 51.843 1.00 0.00 WT1 H ATOM 3966 H2 TIP3 283 67.281 74.064 52.828 1.00 0.00 WT1 H ATOM 3967 OH2 TIP3 284 30.646 22.321 47.518 1.00 0.00 WT1 O ATOM 3968 H1 TIP3 284 30.718 23.275 47.510 1.00 0.00 WT1 H ATOM 3969 H2 TIP3 284 31.294 22.038 48.164 1.00 0.00 WT1 H ATOM 3970 OH2 TIP3 285 21.369 78.448 57.986 1.00 0.00 WT1 O ATOM 3971 H1 TIP3 285 20.746 79.174 58.027 1.00 0.00 WT1 H ATOM 3972 H2 TIP3 285 21.077 77.842 58.666 1.00 0.00 WT1 H ATOM 3973 OH2 TIP3 286 88.395 47.177 -7.802 1.00 0.00 WT1 O ATOM 3974 H1 TIP3 286 88.570 47.516 -6.924 1.00 0.00 WT1 H ATOM 3975 H2 TIP3 286 88.016 46.311 -7.653 1.00 0.00 WT1 H ATOM 3976 OH2 TIP3 287 31.881 24.703 50.641 1.00 0.00 WT1 O ATOM 3977 H1 TIP3 287 31.642 25.540 51.040 1.00 0.00 WT1 H ATOM 3978 H2 TIP3 287 31.046 24.321 50.369 1.00 0.00 WT1 H ATOM 3979 OH2 TIP3 288 72.610 58.296 28.372 1.00 0.00 WT1 O ATOM 3980 H1 TIP3 288 72.412 59.029 28.954 1.00 0.00 WT1 H ATOM 3981 H2 TIP3 288 71.975 57.621 28.612 1.00 0.00 WT1 H ATOM 3982 OH2 TIP3 289 66.727 49.324 30.848 1.00 0.00 WT1 O ATOM 3983 H1 TIP3 289 65.946 49.500 31.374 1.00 0.00 WT1 H ATOM 3984 H2 TIP3 289 66.428 49.401 29.942 1.00 0.00 WT1 H ATOM 3985 OH2 TIP3 290 30.699 77.449 41.741 1.00 0.00 WT1 O ATOM 3986 H1 TIP3 290 31.080 78.300 41.959 1.00 0.00 WT1 H ATOM 3987 H2 TIP3 290 31.419 76.828 41.851 1.00 0.00 WT1 H ATOM 3988 OH2 TIP3 291 82.495 43.468 9.000 1.00 0.00 WT1 O ATOM 3989 H1 TIP3 291 83.039 42.694 9.144 1.00 0.00 WT1 H ATOM 3990 H2 TIP3 291 81.649 43.119 8.718 1.00 0.00 WT1 H ATOM 3991 OH2 TIP3 292 26.263 52.309 35.419 1.00 0.00 WT1 O ATOM 3992 H1 TIP3 292 26.460 52.087 34.509 1.00 0.00 WT1 H ATOM 3993 H2 TIP3 292 25.352 52.603 35.403 1.00 0.00 WT1 H ATOM 3994 OH2 TIP3 293 80.338 63.318 1.950 1.00 0.00 WT1 O ATOM 3995 H1 TIP3 293 81.195 63.095 1.588 1.00 0.00 WT1 H ATOM 3996 H2 TIP3 293 79.712 62.996 1.301 1.00 0.00 WT1 H ATOM 3997 OH2 TIP3 294 67.812 32.441 55.979 1.00 0.00 WT1 O ATOM 3998 H1 TIP3 294 67.908 33.225 55.438 1.00 0.00 WT1 H ATOM 3999 H2 TIP3 294 67.195 31.891 55.496 1.00 0.00 WT1 H ATOM 4000 OH2 TIP3 295 56.896 89.198 63.922 1.00 0.00 WT1 O ATOM 4001 H1 TIP3 295 56.612 88.498 63.334 1.00 0.00 WT1 H ATOM 4002 H2 TIP3 295 57.647 89.594 63.478 1.00 0.00 WT1 H ATOM 4003 OH2 TIP3 296 42.054 57.161 41.256 1.00 0.00 WT1 O ATOM 4004 H1 TIP3 296 42.719 57.850 41.238 1.00 0.00 WT1 H ATOM 4005 H2 TIP3 296 41.971 56.884 40.343 1.00 0.00 WT1 H ATOM 4006 OH2 TIP3 297 87.079 41.227 21.463 1.00 0.00 WT1 O ATOM 4007 H1 TIP3 297 87.422 42.102 21.646 1.00 0.00 WT1 H ATOM 4008 H2 TIP3 297 86.454 41.358 20.750 1.00 0.00 WT1 H ATOM 4009 OH2 TIP3 298 77.102 43.574 24.850 1.00 0.00 WT1 O ATOM 4010 H1 TIP3 298 76.384 44.190 24.996 1.00 0.00 WT1 H ATOM 4011 H2 TIP3 298 77.449 43.397 25.724 1.00 0.00 WT1 H ATOM 4012 OH2 TIP3 299 74.469 45.303 -15.048 1.00 0.00 WT1 O ATOM 4013 H1 TIP3 299 74.921 45.871 -14.423 1.00 0.00 WT1 H ATOM 4014 H2 TIP3 299 73.780 44.882 -14.534 1.00 0.00 WT1 H ATOM 4015 OH2 TIP3 300 42.956 79.760 20.784 1.00 0.00 WT1 O ATOM 4016 H1 TIP3 300 43.043 78.853 20.492 1.00 0.00 WT1 H ATOM 4017 H2 TIP3 300 43.647 80.230 20.318 1.00 0.00 WT1 H ATOM 4018 OH2 TIP3 301 46.946 2.374 25.164 1.00 0.00 WT1 O ATOM 4019 H1 TIP3 301 46.256 1.886 25.614 1.00 0.00 WT1 H ATOM 4020 H2 TIP3 301 46.646 3.283 25.179 1.00 0.00 WT1 H ATOM 4021 OH2 TIP3 302 57.762 7.434 5.761 1.00 0.00 WT1 O ATOM 4022 H1 TIP3 302 58.208 7.263 6.590 1.00 0.00 WT1 H ATOM 4023 H2 TIP3 302 56.911 7.005 5.853 1.00 0.00 WT1 H ATOM 4024 OH2 TIP3 303 38.292 48.417 -9.684 1.00 0.00 WT1 O ATOM 4025 H1 TIP3 303 38.935 49.098 -9.484 1.00 0.00 WT1 H ATOM 4026 H2 TIP3 303 38.816 47.669 -9.970 1.00 0.00 WT1 H ATOM 4027 OH2 TIP3 304 61.248 24.632 11.934 1.00 0.00 WT1 O ATOM 4028 H1 TIP3 304 60.724 25.295 12.383 1.00 0.00 WT1 H ATOM 4029 H2 TIP3 304 61.596 24.084 12.637 1.00 0.00 WT1 H ATOM 4030 OH2 TIP3 305 28.402 46.592 16.741 1.00 0.00 WT1 O ATOM 4031 H1 TIP3 305 27.731 46.053 17.162 1.00 0.00 WT1 H ATOM 4032 H2 TIP3 305 29.181 46.037 16.727 1.00 0.00 WT1 H ATOM 4033 OH2 TIP3 306 74.938 83.946 15.478 1.00 0.00 WT1 O ATOM 4034 H1 TIP3 306 74.831 83.075 15.097 1.00 0.00 WT1 H ATOM 4035 H2 TIP3 306 75.883 84.039 15.602 1.00 0.00 WT1 H ATOM 4036 OH2 TIP3 307 48.451 69.687 -13.133 1.00 0.00 WT1 O ATOM 4037 H1 TIP3 307 49.298 69.321 -12.879 1.00 0.00 WT1 H ATOM 4038 H2 TIP3 307 48.012 68.977 -13.601 1.00 0.00 WT1 H ATOM 4039 OH2 TIP3 308 35.190 80.337 -0.761 1.00 0.00 WT1 O ATOM 4040 H1 TIP3 308 35.722 81.119 -0.911 1.00 0.00 WT1 H ATOM 4041 H2 TIP3 308 34.849 80.109 -1.626 1.00 0.00 WT1 H ATOM 4042 OH2 TIP3 309 51.288 92.537 4.103 1.00 0.00 WT1 O ATOM 4043 H1 TIP3 309 52.087 92.036 3.940 1.00 0.00 WT1 H ATOM 4044 H2 TIP3 309 50.888 92.110 4.861 1.00 0.00 WT1 H ATOM 4045 OH2 TIP3 311 46.820 60.708 -17.520 1.00 0.00 WT1 O ATOM 4046 H1 TIP3 311 46.925 61.533 -17.994 1.00 0.00 WT1 H ATOM 4047 H2 TIP3 311 47.633 60.611 -17.024 1.00 0.00 WT1 H ATOM 4048 OH2 TIP3 312 90.139 53.634 33.028 1.00 0.00 WT1 O ATOM 4049 H1 TIP3 312 90.377 53.671 32.102 1.00 0.00 WT1 H ATOM 4050 H2 TIP3 312 90.730 54.255 33.453 1.00 0.00 WT1 H ATOM 4051 OH2 TIP3 313 61.735 2.311 55.050 1.00 0.00 WT1 O ATOM 4052 H1 TIP3 313 62.128 3.072 55.477 1.00 0.00 WT1 H ATOM 4053 H2 TIP3 313 60.944 2.131 55.559 1.00 0.00 WT1 H ATOM 4054 OH2 TIP3 314 24.108 35.641 28.951 1.00 0.00 WT1 O ATOM 4055 H1 TIP3 314 23.155 35.664 29.031 1.00 0.00 WT1 H ATOM 4056 H2 TIP3 314 24.337 36.489 28.569 1.00 0.00 WT1 H ATOM 4057 OH2 TIP3 316 51.526 36.462 45.869 1.00 0.00 WT1 O ATOM 4058 H1 TIP3 316 52.354 36.150 45.505 1.00 0.00 WT1 H ATOM 4059 H2 TIP3 316 51.437 37.354 45.534 1.00 0.00 WT1 H ATOM 4060 OH2 TIP3 317 38.134 48.554 40.987 1.00 0.00 WT1 O ATOM 4061 H1 TIP3 317 38.845 48.674 41.615 1.00 0.00 WT1 H ATOM 4062 H2 TIP3 317 38.293 47.690 40.606 1.00 0.00 WT1 H ATOM 4063 OH2 TIP3 318 43.601 92.253 56.284 1.00 0.00 WT1 O ATOM 4064 H1 TIP3 318 43.993 92.036 55.439 1.00 0.00 WT1 H ATOM 4065 H2 TIP3 318 43.100 91.474 56.524 1.00 0.00 WT1 H ATOM 4066 OH2 TIP3 319 79.655 60.588 50.620 1.00 0.00 WT1 O ATOM 4067 H1 TIP3 319 79.350 59.692 50.476 1.00 0.00 WT1 H ATOM 4068 H2 TIP3 319 80.576 60.491 50.861 1.00 0.00 WT1 H ATOM 4069 OH2 TIP3 320 73.889 60.063 0.834 1.00 0.00 WT1 O ATOM 4070 H1 TIP3 320 73.158 60.392 1.358 1.00 0.00 WT1 H ATOM 4071 H2 TIP3 320 74.428 59.573 1.455 1.00 0.00 WT1 H ATOM 4072 OH2 TIP3 321 46.913 36.822 -12.104 1.00 0.00 WT1 O ATOM 4073 H1 TIP3 321 46.345 36.809 -12.874 1.00 0.00 WT1 H ATOM 4074 H2 TIP3 321 46.903 35.920 -11.783 1.00 0.00 WT1 H ATOM 4075 OH2 TIP3 322 75.841 9.971 -13.289 1.00 0.00 WT1 O ATOM 4076 H1 TIP3 322 75.502 9.331 -13.916 1.00 0.00 WT1 H ATOM 4077 H2 TIP3 322 76.715 9.651 -13.068 1.00 0.00 WT1 H ATOM 4078 OH2 TIP3 324 31.819 68.512 26.012 1.00 0.00 WT1 O ATOM 4079 H1 TIP3 324 32.514 69.088 26.330 1.00 0.00 WT1 H ATOM 4080 H2 TIP3 324 32.120 68.227 25.149 1.00 0.00 WT1 H ATOM 4081 OH2 TIP3 325 47.411 37.247 6.892 1.00 0.00 WT1 O ATOM 4082 H1 TIP3 325 48.220 36.835 7.195 1.00 0.00 WT1 H ATOM 4083 H2 TIP3 325 47.621 38.179 6.841 1.00 0.00 WT1 H ATOM 4084 OH2 TIP3 326 29.987 59.258 -12.423 1.00 0.00 WT1 O ATOM 4085 H1 TIP3 326 30.641 58.838 -11.864 1.00 0.00 WT1 H ATOM 4086 H2 TIP3 326 29.220 59.360 -11.860 1.00 0.00 WT1 H ATOM 4087 OH2 TIP3 327 34.848 30.343 20.083 1.00 0.00 WT1 O ATOM 4088 H1 TIP3 327 34.857 31.300 20.086 1.00 0.00 WT1 H ATOM 4089 H2 TIP3 327 34.333 30.111 19.311 1.00 0.00 WT1 H ATOM 4090 OH2 TIP3 328 33.400 28.638 -7.518 1.00 0.00 WT1 O ATOM 4091 H1 TIP3 328 33.884 28.456 -6.712 1.00 0.00 WT1 H ATOM 4092 H2 TIP3 328 32.571 29.013 -7.220 1.00 0.00 WT1 H ATOM 4093 OH2 TIP3 329 23.718 88.107 34.630 1.00 0.00 WT1 O ATOM 4094 H1 TIP3 329 24.275 88.266 35.392 1.00 0.00 WT1 H ATOM 4095 H2 TIP3 329 23.302 88.951 34.456 1.00 0.00 WT1 H ATOM 4096 OH2 TIP3 330 38.039 61.347 -12.834 1.00 0.00 WT1 O ATOM 4097 H1 TIP3 330 38.239 60.411 -12.809 1.00 0.00 WT1 H ATOM 4098 H2 TIP3 330 38.801 61.765 -12.432 1.00 0.00 WT1 H ATOM 4099 OH2 TIP3 331 75.733 7.975 -9.464 1.00 0.00 WT1 O ATOM 4100 H1 TIP3 331 75.059 8.507 -9.041 1.00 0.00 WT1 H ATOM 4101 H2 TIP3 331 76.559 8.377 -9.199 1.00 0.00 WT1 H ATOM 4102 OH2 TIP3 332 89.317 68.271 7.880 1.00 0.00 WT1 O ATOM 4103 H1 TIP3 332 89.220 69.017 8.473 1.00 0.00 WT1 H ATOM 4104 H2 TIP3 332 88.437 67.898 7.818 1.00 0.00 WT1 H ATOM 4105 OH2 TIP3 333 61.177 75.804 58.113 1.00 0.00 WT1 O ATOM 4106 H1 TIP3 333 61.143 74.988 58.612 1.00 0.00 WT1 H ATOM 4107 H2 TIP3 333 61.236 75.524 57.200 1.00 0.00 WT1 H ATOM 4108 OH2 TIP3 335 71.315 50.991 39.788 1.00 0.00 WT1 O ATOM 4109 H1 TIP3 335 70.774 51.461 39.153 1.00 0.00 WT1 H ATOM 4110 H2 TIP3 335 70.686 50.567 40.372 1.00 0.00 WT1 H ATOM 4111 OH2 TIP3 336 52.610 50.006 40.477 1.00 0.00 WT1 O ATOM 4112 H1 TIP3 336 52.854 49.248 39.946 1.00 0.00 WT1 H ATOM 4113 H2 TIP3 336 52.527 49.660 41.366 1.00 0.00 WT1 H ATOM 4114 OH2 TIP3 337 59.337 53.893 -11.918 1.00 0.00 WT1 O ATOM 4115 H1 TIP3 337 59.605 52.998 -11.708 1.00 0.00 WT1 H ATOM 4116 H2 TIP3 337 58.387 53.893 -11.800 1.00 0.00 WT1 H ATOM 4117 OH2 TIP3 338 38.762 23.307 -19.445 1.00 0.00 WT1 O ATOM 4118 H1 TIP3 338 38.571 22.567 -20.020 1.00 0.00 WT1 H ATOM 4119 H2 TIP3 338 38.620 22.968 -18.561 1.00 0.00 WT1 H ATOM 4120 OH2 TIP3 339 49.912 35.401 58.836 1.00 0.00 WT1 O ATOM 4121 H1 TIP3 339 49.615 35.386 57.926 1.00 0.00 WT1 H ATOM 4122 H2 TIP3 339 49.641 36.259 59.163 1.00 0.00 WT1 H ATOM 4123 OH2 TIP3 340 85.044 52.758 20.286 1.00 0.00 WT1 O ATOM 4124 H1 TIP3 340 85.123 52.098 20.974 1.00 0.00 WT1 H ATOM 4125 H2 TIP3 340 84.736 52.272 19.521 1.00 0.00 WT1 H ATOM 4126 OH2 TIP3 341 82.340 68.345 50.867 1.00 0.00 WT1 O ATOM 4127 H1 TIP3 341 81.737 67.731 51.287 1.00 0.00 WT1 H ATOM 4128 H2 TIP3 341 82.732 68.830 51.593 1.00 0.00 WT1 H ATOM 4129 OH2 TIP3 342 66.443 22.310 59.740 1.00 0.00 WT1 O ATOM 4130 H1 TIP3 342 65.536 22.590 59.619 1.00 0.00 WT1 H ATOM 4131 H2 TIP3 342 66.513 22.122 60.676 1.00 0.00 WT1 H ATOM 4132 OH2 TIP3 343 74.949 66.138 17.864 1.00 0.00 WT1 O ATOM 4133 H1 TIP3 343 74.945 65.223 17.583 1.00 0.00 WT1 H ATOM 4134 H2 TIP3 343 74.300 66.176 18.566 1.00 0.00 WT1 H ATOM 4135 OH2 TIP3 344 88.081 92.285 10.094 1.00 0.00 WT1 O ATOM 4136 H1 TIP3 344 87.566 91.905 10.805 1.00 0.00 WT1 H ATOM 4137 H2 TIP3 344 88.897 92.561 10.509 1.00 0.00 WT1 H ATOM 4138 OH2 TIP3 345 33.743 26.357 32.923 1.00 0.00 WT1 O ATOM 4139 H1 TIP3 345 33.816 26.726 32.042 1.00 0.00 WT1 H ATOM 4140 H2 TIP3 345 34.444 25.707 32.970 1.00 0.00 WT1 H ATOM 4141 OH2 TIP3 346 80.099 53.919 2.358 1.00 0.00 WT1 O ATOM 4142 H1 TIP3 346 79.561 53.698 1.598 1.00 0.00 WT1 H ATOM 4143 H2 TIP3 346 79.557 53.686 3.112 1.00 0.00 WT1 H ATOM 4144 OH2 TIP3 347 31.508 70.875 9.986 1.00 0.00 WT1 O ATOM 4145 H1 TIP3 347 30.981 71.404 10.585 1.00 0.00 WT1 H ATOM 4146 H2 TIP3 347 32.095 70.380 10.557 1.00 0.00 WT1 H ATOM 4147 OH2 TIP3 348 28.557 23.671 39.198 1.00 0.00 WT1 O ATOM 4148 H1 TIP3 348 28.792 24.189 38.428 1.00 0.00 WT1 H ATOM 4149 H2 TIP3 348 27.858 24.171 39.619 1.00 0.00 WT1 H ATOM 4150 OH2 TIP3 349 30.414 67.447 18.152 1.00 0.00 WT1 O ATOM 4151 H1 TIP3 349 30.667 67.206 17.261 1.00 0.00 WT1 H ATOM 4152 H2 TIP3 349 31.243 67.611 18.601 1.00 0.00 WT1 H ATOM 4153 OH2 TIP3 350 35.137 41.687 28.145 1.00 0.00 WT1 O ATOM 4154 H1 TIP3 350 35.055 41.225 27.311 1.00 0.00 WT1 H ATOM 4155 H2 TIP3 350 35.849 41.237 28.600 1.00 0.00 WT1 H ATOM 4156 OH2 TIP3 352 75.681 76.683 25.693 1.00 0.00 WT1 O ATOM 4157 H1 TIP3 352 75.254 77.220 26.360 1.00 0.00 WT1 H ATOM 4158 H2 TIP3 352 74.966 76.201 25.278 1.00 0.00 WT1 H ATOM 4159 OH2 TIP3 353 70.059 59.592 17.003 1.00 0.00 WT1 O ATOM 4160 H1 TIP3 353 69.583 59.916 17.767 1.00 0.00 WT1 H ATOM 4161 H2 TIP3 353 69.426 59.043 16.541 1.00 0.00 WT1 H ATOM 4162 OH2 TIP3 355 77.871 71.190 64.730 1.00 0.00 WT1 O ATOM 4163 H1 TIP3 355 77.734 70.805 63.865 1.00 0.00 WT1 H ATOM 4164 H2 TIP3 355 77.488 70.558 65.338 1.00 0.00 WT1 H ATOM 4165 OH2 TIP3 356 89.898 17.859 0.238 1.00 0.00 WT1 O ATOM 4166 H1 TIP3 356 90.543 18.550 0.390 1.00 0.00 WT1 H ATOM 4167 H2 TIP3 356 89.834 17.797 -0.715 1.00 0.00 WT1 H ATOM 4168 OH2 TIP3 357 74.697 42.739 49.458 1.00 0.00 WT1 O ATOM 4169 H1 TIP3 357 74.145 43.095 50.154 1.00 0.00 WT1 H ATOM 4170 H2 TIP3 357 75.336 42.191 49.915 1.00 0.00 WT1 H ATOM 4171 OH2 TIP3 358 45.147 11.051 57.511 1.00 0.00 WT1 O ATOM 4172 H1 TIP3 358 46.037 10.709 57.597 1.00 0.00 WT1 H ATOM 4173 H2 TIP3 358 44.645 10.325 57.140 1.00 0.00 WT1 H ATOM 4174 OH2 TIP3 359 76.012 33.998 29.277 1.00 0.00 WT1 O ATOM 4175 H1 TIP3 359 75.235 33.893 28.728 1.00 0.00 WT1 H ATOM 4176 H2 TIP3 359 75.833 33.464 30.051 1.00 0.00 WT1 H ATOM 4177 OH2 TIP3 360 34.364 19.848 4.199 1.00 0.00 WT1 O ATOM 4178 H1 TIP3 360 34.660 19.449 3.381 1.00 0.00 WT1 H ATOM 4179 H2 TIP3 360 34.795 20.702 4.219 1.00 0.00 WT1 H ATOM 4180 OH2 TIP3 361 28.333 63.535 -0.096 1.00 0.00 WT1 O ATOM 4181 H1 TIP3 361 28.020 64.432 0.020 1.00 0.00 WT1 H ATOM 4182 H2 TIP3 361 29.131 63.490 0.432 1.00 0.00 WT1 H ATOM 4183 OH2 TIP3 362 34.977 5.951 7.027 1.00 0.00 WT1 O ATOM 4184 H1 TIP3 362 35.156 5.139 6.554 1.00 0.00 WT1 H ATOM 4185 H2 TIP3 362 35.801 6.437 6.991 1.00 0.00 WT1 H ATOM 4186 OH2 TIP3 363 61.179 73.169 4.124 1.00 0.00 WT1 O ATOM 4187 H1 TIP3 363 61.036 72.292 4.479 1.00 0.00 WT1 H ATOM 4188 H2 TIP3 363 61.163 73.743 4.889 1.00 0.00 WT1 H ATOM 4189 OH2 TIP3 364 64.308 31.927 59.130 1.00 0.00 WT1 O ATOM 4190 H1 TIP3 364 63.881 32.771 59.277 1.00 0.00 WT1 H ATOM 4191 H2 TIP3 364 65.101 31.963 59.665 1.00 0.00 WT1 H ATOM 4192 OH2 TIP3 365 40.608 79.544 9.018 1.00 0.00 WT1 O ATOM 4193 H1 TIP3 365 39.768 79.310 9.413 1.00 0.00 WT1 H ATOM 4194 H2 TIP3 365 41.262 79.243 9.650 1.00 0.00 WT1 H ATOM 4195 OH2 TIP3 366 72.096 25.607 -17.333 1.00 0.00 WT1 O ATOM 4196 H1 TIP3 366 72.075 24.751 -17.762 1.00 0.00 WT1 H ATOM 4197 H2 TIP3 366 72.727 26.115 -17.843 1.00 0.00 WT1 H ATOM 4198 OH2 TIP3 367 41.496 88.605 18.304 1.00 0.00 WT1 O ATOM 4199 H1 TIP3 367 41.569 88.765 19.244 1.00 0.00 WT1 H ATOM 4200 H2 TIP3 367 42.402 88.574 17.995 1.00 0.00 WT1 H ATOM 4201 OH2 TIP3 368 25.416 58.529 28.549 1.00 0.00 WT1 O ATOM 4202 H1 TIP3 368 25.197 57.959 27.812 1.00 0.00 WT1 H ATOM 4203 H2 TIP3 368 26.371 58.497 28.602 1.00 0.00 WT1 H ATOM 4204 OH2 TIP3 369 27.951 60.474 3.107 1.00 0.00 WT1 O ATOM 4205 H1 TIP3 369 27.447 60.512 3.920 1.00 0.00 WT1 H ATOM 4206 H2 TIP3 369 28.583 59.769 3.249 1.00 0.00 WT1 H ATOM 4207 OH2 TIP3 370 81.434 33.405 -14.461 1.00 0.00 WT1 O ATOM 4208 H1 TIP3 370 81.167 33.703 -15.331 1.00 0.00 WT1 H ATOM 4209 H2 TIP3 370 81.433 32.449 -14.524 1.00 0.00 WT1 H ATOM 4210 OH2 TIP3 371 81.277 56.672 60.782 1.00 0.00 WT1 O ATOM 4211 H1 TIP3 371 80.604 57.090 60.243 1.00 0.00 WT1 H ATOM 4212 H2 TIP3 371 81.794 57.400 61.126 1.00 0.00 WT1 H ATOM 4213 OH2 TIP3 372 23.674 85.102 14.972 1.00 0.00 WT1 O ATOM 4214 H1 TIP3 372 23.376 84.352 15.487 1.00 0.00 WT1 H ATOM 4215 H2 TIP3 372 24.604 85.182 15.182 1.00 0.00 WT1 H ATOM 4216 OH2 TIP3 373 62.454 65.398 40.272 1.00 0.00 WT1 O ATOM 4217 H1 TIP3 373 61.692 65.466 40.848 1.00 0.00 WT1 H ATOM 4218 H2 TIP3 373 62.156 64.852 39.544 1.00 0.00 WT1 H ATOM 4219 OH2 TIP3 374 39.685 69.060 53.787 1.00 0.00 WT1 O ATOM 4220 H1 TIP3 374 40.593 68.805 53.624 1.00 0.00 WT1 H ATOM 4221 H2 TIP3 374 39.334 69.268 52.921 1.00 0.00 WT1 H ATOM 4222 OH2 TIP3 375 27.932 94.385 48.312 1.00 0.00 WT1 O ATOM 4223 H1 TIP3 375 28.245 95.222 48.656 1.00 0.00 WT1 H ATOM 4224 H2 TIP3 375 28.688 93.801 48.377 1.00 0.00 WT1 H ATOM 4225 OH2 TIP3 376 90.160 2.662 55.294 1.00 0.00 WT1 O ATOM 4226 H1 TIP3 376 89.734 1.931 55.741 1.00 0.00 WT1 H ATOM 4227 H2 TIP3 376 90.699 3.074 55.970 1.00 0.00 WT1 H ATOM 4228 OH2 TIP3 377 20.758 80.960 18.910 1.00 0.00 WT1 O ATOM 4229 H1 TIP3 377 21.548 80.826 19.434 1.00 0.00 WT1 H ATOM 4230 H2 TIP3 377 20.219 81.550 19.437 1.00 0.00 WT1 H ATOM 4231 OH2 TIP3 378 59.388 7.654 -4.793 1.00 0.00 WT1 O ATOM 4232 H1 TIP3 378 59.206 6.739 -5.009 1.00 0.00 WT1 H ATOM 4233 H2 TIP3 378 60.293 7.651 -4.479 1.00 0.00 WT1 H ATOM 4234 OH2 TIP3 379 32.250 93.963 56.328 1.00 0.00 WT1 O ATOM 4235 H1 TIP3 379 33.036 93.962 55.782 1.00 0.00 WT1 H ATOM 4236 H2 TIP3 379 31.561 94.306 55.758 1.00 0.00 WT1 H ATOM 4237 OH2 TIP3 380 41.598 47.471 55.752 1.00 0.00 WT1 O ATOM 4238 H1 TIP3 380 41.433 46.569 56.029 1.00 0.00 WT1 H ATOM 4239 H2 TIP3 380 40.878 47.673 55.153 1.00 0.00 WT1 H ATOM 4240 OH2 TIP3 381 62.950 60.566 62.346 1.00 0.00 WT1 O ATOM 4241 H1 TIP3 381 62.957 59.746 62.839 1.00 0.00 WT1 H ATOM 4242 H2 TIP3 381 62.249 61.081 62.747 1.00 0.00 WT1 H ATOM 4243 OH2 TIP3 382 57.374 9.947 14.365 1.00 0.00 WT1 O ATOM 4244 H1 TIP3 382 57.435 9.390 13.589 1.00 0.00 WT1 H ATOM 4245 H2 TIP3 382 56.807 9.462 14.965 1.00 0.00 WT1 H ATOM 4246 OH2 TIP3 383 55.613 93.247 -17.047 1.00 0.00 WT1 O ATOM 4247 H1 TIP3 383 55.068 92.591 -17.482 1.00 0.00 WT1 H ATOM 4248 H2 TIP3 383 55.090 93.536 -16.299 1.00 0.00 WT1 H ATOM 4249 OH2 TIP3 384 76.775 42.785 2.094 1.00 0.00 WT1 O ATOM 4250 H1 TIP3 384 76.919 43.515 1.492 1.00 0.00 WT1 H ATOM 4251 H2 TIP3 384 75.960 43.003 2.546 1.00 0.00 WT1 H ATOM 4252 OH2 TIP3 385 29.328 12.720 -11.985 1.00 0.00 WT1 O ATOM 4253 H1 TIP3 385 30.044 12.103 -11.832 1.00 0.00 WT1 H ATOM 4254 H2 TIP3 385 29.497 13.073 -12.858 1.00 0.00 WT1 H ATOM 4255 OH2 TIP3 386 83.165 36.052 -7.171 1.00 0.00 WT1 O ATOM 4256 H1 TIP3 386 82.441 35.832 -7.758 1.00 0.00 WT1 H ATOM 4257 H2 TIP3 386 82.851 36.810 -6.678 1.00 0.00 WT1 H ATOM 4258 OH2 TIP3 387 53.761 34.404 4.252 1.00 0.00 WT1 O ATOM 4259 H1 TIP3 387 53.812 33.834 5.019 1.00 0.00 WT1 H ATOM 4260 H2 TIP3 387 53.545 35.266 4.608 1.00 0.00 WT1 H ATOM 4261 OH2 TIP3 388 27.036 81.850 4.440 1.00 0.00 WT1 O ATOM 4262 H1 TIP3 388 27.849 81.691 3.961 1.00 0.00 WT1 H ATOM 4263 H2 TIP3 388 26.975 81.120 5.057 1.00 0.00 WT1 H ATOM 4264 OH2 TIP3 389 85.601 40.490 52.290 1.00 0.00 WT1 O ATOM 4265 H1 TIP3 389 84.755 40.804 51.972 1.00 0.00 WT1 H ATOM 4266 H2 TIP3 389 85.976 41.238 52.755 1.00 0.00 WT1 H ATOM 4267 OH2 TIP3 390 79.780 72.254 55.219 1.00 0.00 WT1 O ATOM 4268 H1 TIP3 390 78.963 72.692 55.456 1.00 0.00 WT1 H ATOM 4269 H2 TIP3 390 79.722 71.395 55.637 1.00 0.00 WT1 H ATOM 4270 OH2 TIP3 391 23.595 44.042 12.558 1.00 0.00 WT1 O ATOM 4271 H1 TIP3 391 23.202 44.719 12.007 1.00 0.00 WT1 H ATOM 4272 H2 TIP3 391 22.851 43.622 12.990 1.00 0.00 WT1 H ATOM 4273 OH2 TIP3 392 23.191 26.705 51.164 1.00 0.00 WT1 O ATOM 4274 H1 TIP3 392 23.475 26.738 52.077 1.00 0.00 WT1 H ATOM 4275 H2 TIP3 392 23.747 26.037 50.763 1.00 0.00 WT1 H ATOM 4276 OH2 TIP3 393 63.616 36.057 65.880 1.00 0.00 WT1 O ATOM 4277 H1 TIP3 393 62.772 36.433 66.128 1.00 0.00 WT1 H ATOM 4278 H2 TIP3 393 64.204 36.293 66.597 1.00 0.00 WT1 H ATOM 4279 OH2 TIP3 394 70.090 2.870 19.351 1.00 0.00 WT1 O ATOM 4280 H1 TIP3 394 69.550 3.064 20.117 1.00 0.00 WT1 H ATOM 4281 H2 TIP3 394 70.223 3.719 18.930 1.00 0.00 WT1 H ATOM 4282 OH2 TIP3 395 79.782 44.480 -16.016 1.00 0.00 WT1 O ATOM 4283 H1 TIP3 395 80.139 45.281 -15.632 1.00 0.00 WT1 H ATOM 4284 H2 TIP3 395 79.329 44.774 -16.807 1.00 0.00 WT1 H ATOM 4285 OH2 TIP3 396 32.113 14.534 -11.003 1.00 0.00 WT1 O ATOM 4286 H1 TIP3 396 31.741 14.813 -10.166 1.00 0.00 WT1 H ATOM 4287 H2 TIP3 396 31.561 13.801 -11.278 1.00 0.00 WT1 H ATOM 4288 OH2 TIP3 397 65.374 88.958 44.772 1.00 0.00 WT1 O ATOM 4289 H1 TIP3 397 64.651 89.152 45.368 1.00 0.00 WT1 H ATOM 4290 H2 TIP3 397 65.356 89.669 44.132 1.00 0.00 WT1 H ATOM 4291 OH2 TIP3 399 90.009 69.007 -15.019 1.00 0.00 WT1 O ATOM 4292 H1 TIP3 399 89.469 68.425 -14.485 1.00 0.00 WT1 H ATOM 4293 H2 TIP3 399 90.873 68.978 -14.607 1.00 0.00 WT1 H ATOM 4294 OH2 TIP3 400 67.241 64.138 -15.387 1.00 0.00 WT1 O ATOM 4295 H1 TIP3 400 67.111 64.902 -14.824 1.00 0.00 WT1 H ATOM 4296 H2 TIP3 400 67.075 63.388 -14.816 1.00 0.00 WT1 H ATOM 4297 OH2 TIP3 401 65.443 53.388 3.123 1.00 0.00 WT1 O ATOM 4298 H1 TIP3 401 66.032 53.540 3.863 1.00 0.00 WT1 H ATOM 4299 H2 TIP3 401 64.643 53.042 3.520 1.00 0.00 WT1 H ATOM 4300 OH2 TIP3 402 31.338 30.696 25.067 1.00 0.00 WT1 O ATOM 4301 H1 TIP3 402 30.792 30.785 25.848 1.00 0.00 WT1 H ATOM 4302 H2 TIP3 402 32.225 30.886 25.371 1.00 0.00 WT1 H ATOM 4303 OH2 TIP3 403 77.341 67.252 0.402 1.00 0.00 WT1 O ATOM 4304 H1 TIP3 403 76.888 66.614 0.954 1.00 0.00 WT1 H ATOM 4305 H2 TIP3 403 78.214 66.882 0.275 1.00 0.00 WT1 H ATOM 4306 OH2 TIP3 404 32.471 23.166 14.281 1.00 0.00 WT1 O ATOM 4307 H1 TIP3 404 32.267 23.499 13.407 1.00 0.00 WT1 H ATOM 4308 H2 TIP3 404 32.073 22.295 14.305 1.00 0.00 WT1 H ATOM 4309 OH2 TIP3 405 63.314 42.237 65.092 1.00 0.00 WT1 O ATOM 4310 H1 TIP3 405 63.238 41.385 65.520 1.00 0.00 WT1 H ATOM 4311 H2 TIP3 405 62.656 42.217 64.397 1.00 0.00 WT1 H ATOM 4312 OH2 TIP3 406 22.770 84.568 36.235 1.00 0.00 WT1 O ATOM 4313 H1 TIP3 406 22.134 84.974 36.825 1.00 0.00 WT1 H ATOM 4314 H2 TIP3 406 22.571 83.633 36.274 1.00 0.00 WT1 H ATOM 4315 OH2 TIP3 407 30.428 46.016 23.862 1.00 0.00 WT1 O ATOM 4316 H1 TIP3 407 31.141 46.442 23.385 1.00 0.00 WT1 H ATOM 4317 H2 TIP3 407 30.004 46.727 24.343 1.00 0.00 WT1 H ATOM 4318 OH2 TIP3 408 30.853 29.762 58.831 1.00 0.00 WT1 O ATOM 4319 H1 TIP3 408 31.172 30.006 57.962 1.00 0.00 WT1 H ATOM 4320 H2 TIP3 408 30.236 30.457 59.063 1.00 0.00 WT1 H ATOM 4321 OH2 TIP3 409 72.823 41.453 -6.666 1.00 0.00 WT1 O ATOM 4322 H1 TIP3 409 72.202 40.952 -6.136 1.00 0.00 WT1 H ATOM 4323 H2 TIP3 409 72.607 42.368 -6.487 1.00 0.00 WT1 H ATOM 4324 OH2 TIP3 411 33.165 20.336 17.931 1.00 0.00 WT1 O ATOM 4325 H1 TIP3 411 32.469 20.955 18.150 1.00 0.00 WT1 H ATOM 4326 H2 TIP3 411 33.720 20.808 17.310 1.00 0.00 WT1 H ATOM 4327 OH2 TIP3 412 40.317 61.263 12.359 1.00 0.00 WT1 O ATOM 4328 H1 TIP3 412 41.183 61.650 12.229 1.00 0.00 WT1 H ATOM 4329 H2 TIP3 412 40.418 60.701 13.127 1.00 0.00 WT1 H ATOM 4330 OH2 TIP3 413 80.715 26.519 -19.243 1.00 0.00 WT1 O ATOM 4331 H1 TIP3 413 80.861 27.273 -18.673 1.00 0.00 WT1 H ATOM 4332 H2 TIP3 413 81.559 26.068 -19.265 1.00 0.00 WT1 H ATOM 4333 OH2 TIP3 414 51.956 62.309 10.985 1.00 0.00 WT1 O ATOM 4334 H1 TIP3 414 51.581 61.785 11.693 1.00 0.00 WT1 H ATOM 4335 H2 TIP3 414 52.654 62.813 11.403 1.00 0.00 WT1 H ATOM 4336 OH2 TIP3 415 63.896 45.314 -7.296 1.00 0.00 WT1 O ATOM 4337 H1 TIP3 415 63.762 45.999 -6.641 1.00 0.00 WT1 H ATOM 4338 H2 TIP3 415 63.500 45.664 -8.094 1.00 0.00 WT1 H ATOM 4339 OH2 TIP3 417 51.920 4.659 6.894 1.00 0.00 WT1 O ATOM 4340 H1 TIP3 417 51.150 4.091 6.873 1.00 0.00 WT1 H ATOM 4341 H2 TIP3 417 51.689 5.397 6.330 1.00 0.00 WT1 H ATOM 4342 OH2 TIP3 418 33.609 84.460 -8.171 1.00 0.00 WT1 O ATOM 4343 H1 TIP3 418 34.262 83.959 -7.681 1.00 0.00 WT1 H ATOM 4344 H2 TIP3 418 33.854 84.340 -9.088 1.00 0.00 WT1 H ATOM 4345 OH2 TIP3 419 62.586 50.445 52.264 1.00 0.00 WT1 O ATOM 4346 H1 TIP3 419 61.915 49.805 52.499 1.00 0.00 WT1 H ATOM 4347 H2 TIP3 419 63.282 49.926 51.861 1.00 0.00 WT1 H ATOM 4348 OH2 TIP3 420 76.905 51.686 46.315 1.00 0.00 WT1 O ATOM 4349 H1 TIP3 420 77.035 52.401 45.691 1.00 0.00 WT1 H ATOM 4350 H2 TIP3 420 77.308 50.926 45.896 1.00 0.00 WT1 H ATOM 4351 OH2 TIP3 421 85.684 9.771 -4.614 1.00 0.00 WT1 O ATOM 4352 H1 TIP3 421 85.395 10.552 -5.085 1.00 0.00 WT1 H ATOM 4353 H2 TIP3 421 86.040 9.199 -5.295 1.00 0.00 WT1 H ATOM 4354 OH2 TIP3 422 41.315 87.676 47.164 1.00 0.00 WT1 O ATOM 4355 H1 TIP3 422 40.741 87.391 46.454 1.00 0.00 WT1 H ATOM 4356 H2 TIP3 422 42.200 87.566 46.816 1.00 0.00 WT1 H ATOM 4357 OH2 TIP3 423 84.709 56.697 3.079 1.00 0.00 WT1 O ATOM 4358 H1 TIP3 423 84.515 56.239 3.897 1.00 0.00 WT1 H ATOM 4359 H2 TIP3 423 85.390 57.328 3.312 1.00 0.00 WT1 H ATOM 4360 OH2 TIP3 424 29.000 84.137 -6.020 1.00 0.00 WT1 O ATOM 4361 H1 TIP3 424 28.112 84.147 -6.377 1.00 0.00 WT1 H ATOM 4362 H2 TIP3 424 28.970 83.486 -5.319 1.00 0.00 WT1 H ATOM 4363 OH2 TIP3 425 76.713 74.304 28.170 1.00 0.00 WT1 O ATOM 4364 H1 TIP3 425 76.359 74.540 27.313 1.00 0.00 WT1 H ATOM 4365 H2 TIP3 425 77.314 73.580 27.991 1.00 0.00 WT1 H ATOM 4366 OH2 TIP3 426 22.165 65.482 11.401 1.00 0.00 WT1 O ATOM 4367 H1 TIP3 426 21.471 65.959 10.946 1.00 0.00 WT1 H ATOM 4368 H2 TIP3 426 22.974 65.785 10.987 1.00 0.00 WT1 H ATOM 4369 OH2 TIP3 427 47.739 88.574 10.042 1.00 0.00 WT1 O ATOM 4370 H1 TIP3 427 48.405 88.077 10.517 1.00 0.00 WT1 H ATOM 4371 H2 TIP3 427 46.908 88.275 10.412 1.00 0.00 WT1 H ATOM 4372 OH2 TIP3 428 39.116 36.956 66.608 1.00 0.00 WT1 O ATOM 4373 H1 TIP3 428 38.594 37.609 66.142 1.00 0.00 WT1 H ATOM 4374 H2 TIP3 428 39.280 37.347 67.466 1.00 0.00 WT1 H ATOM 4375 OH2 TIP3 429 63.154 33.422 23.101 1.00 0.00 WT1 O ATOM 4376 H1 TIP3 429 62.354 33.099 22.685 1.00 0.00 WT1 H ATOM 4377 H2 TIP3 429 63.779 33.511 22.382 1.00 0.00 WT1 H ATOM 4378 OH2 TIP3 430 73.517 75.585 27.720 1.00 0.00 WT1 O ATOM 4379 H1 TIP3 430 73.406 75.365 28.645 1.00 0.00 WT1 H ATOM 4380 H2 TIP3 430 73.328 76.522 27.671 1.00 0.00 WT1 H ATOM 4381 OH2 TIP3 431 61.932 8.098 -4.187 1.00 0.00 WT1 O ATOM 4382 H1 TIP3 431 62.700 7.574 -4.415 1.00 0.00 WT1 H ATOM 4383 H2 TIP3 431 62.205 8.602 -3.421 1.00 0.00 WT1 H ATOM 4384 OH2 TIP3 432 34.937 91.919 56.780 1.00 0.00 WT1 O ATOM 4385 H1 TIP3 432 34.261 92.079 57.438 1.00 0.00 WT1 H ATOM 4386 H2 TIP3 432 35.759 92.129 57.224 1.00 0.00 WT1 H ATOM 4387 OH2 TIP3 433 71.590 50.543 26.160 1.00 0.00 WT1 O ATOM 4388 H1 TIP3 433 71.631 50.517 27.116 1.00 0.00 WT1 H ATOM 4389 H2 TIP3 433 70.655 50.599 25.961 1.00 0.00 WT1 H ATOM 4390 OH2 TIP3 434 73.399 66.714 57.594 1.00 0.00 WT1 O ATOM 4391 H1 TIP3 434 73.659 66.494 56.700 1.00 0.00 WT1 H ATOM 4392 H2 TIP3 434 72.482 66.448 57.650 1.00 0.00 WT1 H ATOM 4393 OH2 TIP3 435 66.731 47.317 56.265 1.00 0.00 WT1 O ATOM 4394 H1 TIP3 435 65.819 47.344 56.553 1.00 0.00 WT1 H ATOM 4395 H2 TIP3 435 66.826 48.081 55.696 1.00 0.00 WT1 H ATOM 4396 OH2 TIP3 436 64.052 46.811 -0.757 1.00 0.00 WT1 O ATOM 4397 H1 TIP3 436 64.186 47.554 -0.168 1.00 0.00 WT1 H ATOM 4398 H2 TIP3 436 64.701 46.165 -0.479 1.00 0.00 WT1 H ATOM 4399 OH2 TIP3 437 77.587 0.409 -16.325 1.00 0.00 WT1 O ATOM 4400 H1 TIP3 437 77.995 -0.253 -15.769 1.00 0.00 WT1 H ATOM 4401 H2 TIP3 437 76.650 0.328 -16.148 1.00 0.00 WT1 H ATOM 4402 OH2 TIP3 438 65.538 83.553 -17.224 1.00 0.00 WT1 O ATOM 4403 H1 TIP3 438 64.846 84.086 -17.615 1.00 0.00 WT1 H ATOM 4404 H2 TIP3 438 65.180 82.665 -17.213 1.00 0.00 WT1 H ATOM 4405 OH2 TIP3 439 25.596 80.045 -15.753 1.00 0.00 WT1 O ATOM 4406 H1 TIP3 439 26.133 80.273 -16.512 1.00 0.00 WT1 H ATOM 4407 H2 TIP3 439 25.968 79.223 -15.434 1.00 0.00 WT1 H ATOM 4408 OH2 TIP3 440 65.677 85.954 26.126 1.00 0.00 WT1 O ATOM 4409 H1 TIP3 440 64.765 85.960 25.836 1.00 0.00 WT1 H ATOM 4410 H2 TIP3 440 66.126 86.539 25.516 1.00 0.00 WT1 H ATOM 4411 OH2 TIP3 441 48.483 82.441 17.140 1.00 0.00 WT1 O ATOM 4412 H1 TIP3 441 48.385 82.583 18.082 1.00 0.00 WT1 H ATOM 4413 H2 TIP3 441 47.599 82.550 16.788 1.00 0.00 WT1 H ATOM 4414 OH2 TIP3 442 53.535 25.451 15.396 1.00 0.00 WT1 O ATOM 4415 H1 TIP3 442 52.798 25.869 14.950 1.00 0.00 WT1 H ATOM 4416 H2 TIP3 442 53.424 25.687 16.317 1.00 0.00 WT1 H ATOM 4417 OH2 TIP3 443 78.833 73.241 19.215 1.00 0.00 WT1 O ATOM 4418 H1 TIP3 443 77.929 72.982 19.036 1.00 0.00 WT1 H ATOM 4419 H2 TIP3 443 79.210 72.491 19.676 1.00 0.00 WT1 H ATOM 4420 OH2 TIP3 444 72.900 39.779 25.760 1.00 0.00 WT1 O ATOM 4421 H1 TIP3 444 73.278 40.568 26.149 1.00 0.00 WT1 H ATOM 4422 H2 TIP3 444 73.274 39.744 24.879 1.00 0.00 WT1 H ATOM 4423 OH2 TIP3 446 88.294 64.017 45.425 1.00 0.00 WT1 O ATOM 4424 H1 TIP3 446 87.345 63.952 45.314 1.00 0.00 WT1 H ATOM 4425 H2 TIP3 446 88.651 63.362 44.825 1.00 0.00 WT1 H ATOM 4426 OH2 TIP3 447 77.448 64.739 -5.600 1.00 0.00 WT1 O ATOM 4427 H1 TIP3 447 76.960 65.433 -5.156 1.00 0.00 WT1 H ATOM 4428 H2 TIP3 447 77.077 64.711 -6.482 1.00 0.00 WT1 H ATOM 4429 OH2 TIP3 448 69.676 23.059 24.583 1.00 0.00 WT1 O ATOM 4430 H1 TIP3 448 69.979 23.047 23.675 1.00 0.00 WT1 H ATOM 4431 H2 TIP3 448 70.065 23.851 24.956 1.00 0.00 WT1 H ATOM 4432 OH2 TIP3 450 61.371 90.304 37.567 1.00 0.00 WT1 O ATOM 4433 H1 TIP3 450 60.855 90.450 38.359 1.00 0.00 WT1 H ATOM 4434 H2 TIP3 450 61.612 89.378 37.604 1.00 0.00 WT1 H ATOM 4435 OH2 TIP3 451 69.713 39.396 -9.456 1.00 0.00 WT1 O ATOM 4436 H1 TIP3 451 70.234 40.169 -9.238 1.00 0.00 WT1 H ATOM 4437 H2 TIP3 451 69.994 39.159 -10.340 1.00 0.00 WT1 H ATOM 4438 OH2 TIP3 452 25.213 56.851 37.468 1.00 0.00 WT1 O ATOM 4439 H1 TIP3 452 25.272 56.233 36.739 1.00 0.00 WT1 H ATOM 4440 H2 TIP3 452 26.107 56.906 37.808 1.00 0.00 WT1 H ATOM 4441 OH2 TIP3 453 88.980 23.870 -10.435 1.00 0.00 WT1 O ATOM 4442 H1 TIP3 453 89.375 23.656 -9.590 1.00 0.00 WT1 H ATOM 4443 H2 TIP3 453 88.788 24.806 -10.379 1.00 0.00 WT1 H ATOM 4444 OH2 TIP3 454 44.822 92.768 14.326 1.00 0.00 WT1 O ATOM 4445 H1 TIP3 454 44.501 93.528 13.840 1.00 0.00 WT1 H ATOM 4446 H2 TIP3 454 45.742 92.693 14.074 1.00 0.00 WT1 H ATOM 4447 OH2 TIP3 455 36.497 3.067 61.225 1.00 0.00 WT1 O ATOM 4448 H1 TIP3 455 36.479 2.111 61.257 1.00 0.00 WT1 H ATOM 4449 H2 TIP3 455 36.225 3.342 62.101 1.00 0.00 WT1 H ATOM 4450 OH2 TIP3 456 31.835 74.695 31.227 1.00 0.00 WT1 O ATOM 4451 H1 TIP3 456 32.523 74.462 31.850 1.00 0.00 WT1 H ATOM 4452 H2 TIP3 456 31.744 75.644 31.313 1.00 0.00 WT1 H ATOM 4453 OH2 TIP3 457 31.815 17.994 18.465 1.00 0.00 WT1 O ATOM 4454 H1 TIP3 457 31.523 17.684 19.322 1.00 0.00 WT1 H ATOM 4455 H2 TIP3 457 32.498 18.634 18.662 1.00 0.00 WT1 H ATOM 4456 OH2 TIP3 458 69.945 44.534 29.708 1.00 0.00 WT1 O ATOM 4457 H1 TIP3 458 70.562 44.784 29.021 1.00 0.00 WT1 H ATOM 4458 H2 TIP3 458 69.170 45.070 29.542 1.00 0.00 WT1 H ATOM 4459 OH2 TIP3 459 74.615 32.307 43.510 1.00 0.00 WT1 O ATOM 4460 H1 TIP3 459 73.946 31.632 43.397 1.00 0.00 WT1 H ATOM 4461 H2 TIP3 459 75.383 31.964 43.052 1.00 0.00 WT1 H ATOM 4462 OH2 TIP3 460 66.502 30.842 -4.086 1.00 0.00 WT1 O ATOM 4463 H1 TIP3 460 66.878 30.062 -4.494 1.00 0.00 WT1 H ATOM 4464 H2 TIP3 460 67.038 30.985 -3.306 1.00 0.00 WT1 H ATOM 4465 OH2 TIP3 461 72.524 86.911 11.552 1.00 0.00 WT1 O ATOM 4466 H1 TIP3 461 72.453 86.086 11.072 1.00 0.00 WT1 H ATOM 4467 H2 TIP3 461 73.030 86.691 12.334 1.00 0.00 WT1 H ATOM 4468 OH2 TIP3 462 84.938 16.500 -11.858 1.00 0.00 WT1 O ATOM 4469 H1 TIP3 462 84.918 15.978 -11.056 1.00 0.00 WT1 H ATOM 4470 H2 TIP3 462 84.265 17.168 -11.727 1.00 0.00 WT1 H ATOM 4471 OH2 TIP3 463 74.116 27.049 -18.256 1.00 0.00 WT1 O ATOM 4472 H1 TIP3 463 74.071 27.611 -19.030 1.00 0.00 WT1 H ATOM 4473 H2 TIP3 463 75.050 26.872 -18.141 1.00 0.00 WT1 H ATOM 4474 OH2 TIP3 465 26.335 6.028 46.230 1.00 0.00 WT1 O ATOM 4475 H1 TIP3 465 26.019 5.608 47.030 1.00 0.00 WT1 H ATOM 4476 H2 TIP3 465 26.008 6.926 46.284 1.00 0.00 WT1 H ATOM 4477 OH2 TIP3 466 78.655 21.259 10.427 1.00 0.00 WT1 O ATOM 4478 H1 TIP3 466 78.635 21.607 11.318 1.00 0.00 WT1 H ATOM 4479 H2 TIP3 466 79.513 20.841 10.351 1.00 0.00 WT1 H ATOM 4480 OH2 TIP3 467 67.277 28.716 35.380 1.00 0.00 WT1 O ATOM 4481 H1 TIP3 467 66.987 28.448 34.507 1.00 0.00 WT1 H ATOM 4482 H2 TIP3 467 67.637 27.918 35.768 1.00 0.00 WT1 H ATOM 4483 OH2 TIP3 468 34.445 15.728 -3.783 1.00 0.00 WT1 O ATOM 4484 H1 TIP3 468 34.355 15.891 -4.722 1.00 0.00 WT1 H ATOM 4485 H2 TIP3 468 34.306 16.583 -3.376 1.00 0.00 WT1 H ATOM 4486 OH2 TIP3 469 48.238 81.187 23.219 1.00 0.00 WT1 O ATOM 4487 H1 TIP3 469 47.959 81.762 23.931 1.00 0.00 WT1 H ATOM 4488 H2 TIP3 469 47.428 80.786 22.904 1.00 0.00 WT1 H ATOM 4489 OH2 TIP3 470 59.239 70.167 -17.325 1.00 0.00 WT1 O ATOM 4490 H1 TIP3 470 59.996 69.752 -16.913 1.00 0.00 WT1 H ATOM 4491 H2 TIP3 470 58.482 69.775 -16.889 1.00 0.00 WT1 H ATOM 4492 OH2 TIP3 471 33.177 75.252 -10.171 1.00 0.00 WT1 O ATOM 4493 H1 TIP3 471 33.674 76.066 -10.259 1.00 0.00 WT1 H ATOM 4494 H2 TIP3 471 33.487 74.703 -10.891 1.00 0.00 WT1 H ATOM 4495 OH2 TIP3 472 62.277 36.289 -1.760 1.00 0.00 WT1 O ATOM 4496 H1 TIP3 472 62.915 36.982 -1.587 1.00 0.00 WT1 H ATOM 4497 H2 TIP3 472 61.512 36.749 -2.105 1.00 0.00 WT1 H ATOM 4498 OH2 TIP3 473 35.659 51.274 -4.737 1.00 0.00 WT1 O ATOM 4499 H1 TIP3 473 35.584 50.421 -4.310 1.00 0.00 WT1 H ATOM 4500 H2 TIP3 473 35.614 51.906 -4.020 1.00 0.00 WT1 H ATOM 4501 OH2 TIP3 474 50.755 41.982 2.556 1.00 0.00 WT1 O ATOM 4502 H1 TIP3 474 51.335 42.690 2.835 1.00 0.00 WT1 H ATOM 4503 H2 TIP3 474 50.503 41.543 3.368 1.00 0.00 WT1 H ATOM 4504 OH2 TIP3 475 24.878 9.814 -1.697 1.00 0.00 WT1 O ATOM 4505 H1 TIP3 475 25.116 10.627 -2.143 1.00 0.00 WT1 H ATOM 4506 H2 TIP3 475 24.352 10.096 -0.948 1.00 0.00 WT1 H ATOM 4507 OH2 TIP3 476 78.781 34.781 -14.760 1.00 0.00 WT1 O ATOM 4508 H1 TIP3 476 78.732 33.956 -15.243 1.00 0.00 WT1 H ATOM 4509 H2 TIP3 476 79.314 34.579 -13.991 1.00 0.00 WT1 H ATOM 4510 OH2 TIP3 477 31.704 10.507 -5.608 1.00 0.00 WT1 O ATOM 4511 H1 TIP3 477 31.644 9.911 -4.861 1.00 0.00 WT1 H ATOM 4512 H2 TIP3 477 32.353 10.105 -6.185 1.00 0.00 WT1 H ATOM 4513 OH2 TIP3 478 49.508 83.837 47.937 1.00 0.00 WT1 O ATOM 4514 H1 TIP3 478 50.081 84.455 47.484 1.00 0.00 WT1 H ATOM 4515 H2 TIP3 478 49.630 83.010 47.470 1.00 0.00 WT1 H ATOM 4516 OH2 TIP3 479 52.573 8.328 20.972 1.00 0.00 WT1 O ATOM 4517 H1 TIP3 479 53.265 7.667 21.007 1.00 0.00 WT1 H ATOM 4518 H2 TIP3 479 52.236 8.370 21.867 1.00 0.00 WT1 H ATOM 4519 OH2 TIP3 480 70.276 62.688 33.919 1.00 0.00 WT1 O ATOM 4520 H1 TIP3 480 69.461 63.045 33.566 1.00 0.00 WT1 H ATOM 4521 H2 TIP3 480 70.446 61.909 33.390 1.00 0.00 WT1 H ATOM 4522 OH2 TIP3 481 53.964 54.798 66.821 1.00 0.00 WT1 O ATOM 4523 H1 TIP3 481 54.561 54.275 67.356 1.00 0.00 WT1 H ATOM 4524 H2 TIP3 481 53.104 54.662 67.218 1.00 0.00 WT1 H ATOM 4525 OH2 TIP3 482 33.189 92.169 59.403 1.00 0.00 WT1 O ATOM 4526 H1 TIP3 482 33.033 91.226 59.441 1.00 0.00 WT1 H ATOM 4527 H2 TIP3 482 32.329 92.548 59.221 1.00 0.00 WT1 H ATOM 4528 OH2 TIP3 483 52.752 16.644 60.988 1.00 0.00 WT1 O ATOM 4529 H1 TIP3 483 52.002 16.086 61.193 1.00 0.00 WT1 H ATOM 4530 H2 TIP3 483 53.297 16.110 60.409 1.00 0.00 WT1 H ATOM 4531 OH2 TIP3 484 71.829 92.212 17.383 1.00 0.00 WT1 O ATOM 4532 H1 TIP3 484 70.911 92.399 17.577 1.00 0.00 WT1 H ATOM 4533 H2 TIP3 484 72.213 91.992 18.232 1.00 0.00 WT1 H ATOM 4534 OH2 TIP3 485 84.329 83.514 15.267 1.00 0.00 WT1 O ATOM 4535 H1 TIP3 485 85.180 83.726 14.883 1.00 0.00 WT1 H ATOM 4536 H2 TIP3 485 84.406 83.784 16.182 1.00 0.00 WT1 H ATOM 4537 OH2 TIP3 486 44.553 77.991 5.637 1.00 0.00 WT1 O ATOM 4538 H1 TIP3 486 44.859 77.258 5.103 1.00 0.00 WT1 H ATOM 4539 H2 TIP3 486 45.158 78.705 5.431 1.00 0.00 WT1 H ATOM 4540 OH2 TIP3 487 71.980 36.598 -18.853 1.00 0.00 WT1 O ATOM 4541 H1 TIP3 487 71.163 36.264 -18.481 1.00 0.00 WT1 H ATOM 4542 H2 TIP3 487 72.101 36.094 -19.658 1.00 0.00 WT1 H ATOM 4543 OH2 TIP3 488 78.491 60.484 58.354 1.00 0.00 WT1 O ATOM 4544 H1 TIP3 488 78.623 60.375 57.412 1.00 0.00 WT1 H ATOM 4545 H2 TIP3 488 77.619 60.872 58.431 1.00 0.00 WT1 H ATOM 4546 OH2 TIP3 489 33.169 74.467 -17.055 1.00 0.00 WT1 O ATOM 4547 H1 TIP3 489 34.072 74.282 -16.799 1.00 0.00 WT1 H ATOM 4548 H2 TIP3 489 32.860 75.099 -16.407 1.00 0.00 WT1 H ATOM 4549 OH2 TIP3 490 28.425 15.351 -4.544 1.00 0.00 WT1 O ATOM 4550 H1 TIP3 490 29.330 15.661 -4.519 1.00 0.00 WT1 H ATOM 4551 H2 TIP3 490 28.162 15.304 -3.625 1.00 0.00 WT1 H ATOM 4552 OH2 TIP3 491 50.608 15.212 60.949 1.00 0.00 WT1 O ATOM 4553 H1 TIP3 491 50.340 14.535 61.570 1.00 0.00 WT1 H ATOM 4554 H2 TIP3 491 50.657 14.760 60.107 1.00 0.00 WT1 H ATOM 4555 OH2 TIP3 492 70.742 84.082 32.443 1.00 0.00 WT1 O ATOM 4556 H1 TIP3 492 70.431 83.820 31.576 1.00 0.00 WT1 H ATOM 4557 H2 TIP3 492 71.619 83.703 32.508 1.00 0.00 WT1 H ATOM 4558 OH2 TIP3 493 22.831 45.001 -7.367 1.00 0.00 WT1 O ATOM 4559 H1 TIP3 493 22.294 45.297 -6.632 1.00 0.00 WT1 H ATOM 4560 H2 TIP3 493 23.399 45.747 -7.564 1.00 0.00 WT1 H ATOM 4561 OH2 TIP3 494 28.494 11.064 2.285 1.00 0.00 WT1 O ATOM 4562 H1 TIP3 494 29.254 11.113 2.865 1.00 0.00 WT1 H ATOM 4563 H2 TIP3 494 28.846 11.234 1.412 1.00 0.00 WT1 H ATOM 4564 OH2 TIP3 495 55.174 28.956 -0.521 1.00 0.00 WT1 O ATOM 4565 H1 TIP3 495 55.911 29.554 -0.394 1.00 0.00 WT1 H ATOM 4566 H2 TIP3 495 54.828 29.183 -1.385 1.00 0.00 WT1 H ATOM 4567 OH2 TIP3 496 39.557 82.057 12.486 1.00 0.00 WT1 O ATOM 4568 H1 TIP3 496 39.759 82.976 12.663 1.00 0.00 WT1 H ATOM 4569 H2 TIP3 496 40.407 81.616 12.507 1.00 0.00 WT1 H ATOM 4570 OH2 TIP3 497 22.208 79.619 14.455 1.00 0.00 WT1 O ATOM 4571 H1 TIP3 497 22.310 79.789 15.392 1.00 0.00 WT1 H ATOM 4572 H2 TIP3 497 21.811 78.749 14.411 1.00 0.00 WT1 H ATOM 4573 OH2 TIP3 498 70.193 24.565 14.792 1.00 0.00 WT1 O ATOM 4574 H1 TIP3 498 70.330 25.363 15.302 1.00 0.00 WT1 H ATOM 4575 H2 TIP3 498 69.802 23.948 15.411 1.00 0.00 WT1 H ATOM 4576 OH2 TIP3 499 28.588 17.924 12.516 1.00 0.00 WT1 O ATOM 4577 H1 TIP3 499 28.501 16.985 12.678 1.00 0.00 WT1 H ATOM 4578 H2 TIP3 499 29.057 18.257 13.281 1.00 0.00 WT1 H ATOM 4579 OH2 TIP3 500 81.984 68.600 22.590 1.00 0.00 WT1 O ATOM 4580 H1 TIP3 500 82.427 67.773 22.401 1.00 0.00 WT1 H ATOM 4581 H2 TIP3 500 81.055 68.409 22.460 1.00 0.00 WT1 H ATOM 4582 OH2 TIP3 501 45.109 47.879 1.733 1.00 0.00 WT1 O ATOM 4583 H1 TIP3 501 45.645 48.671 1.710 1.00 0.00 WT1 H ATOM 4584 H2 TIP3 501 45.205 47.550 2.627 1.00 0.00 WT1 H ATOM 4585 OH2 TIP3 502 32.293 79.170 47.311 1.00 0.00 WT1 O ATOM 4586 H1 TIP3 502 33.090 78.654 47.193 1.00 0.00 WT1 H ATOM 4587 H2 TIP3 502 32.511 79.793 48.004 1.00 0.00 WT1 H ATOM 4588 OH2 TIP3 503 34.525 13.540 49.762 1.00 0.00 WT1 O ATOM 4589 H1 TIP3 503 34.776 12.767 50.268 1.00 0.00 WT1 H ATOM 4590 H2 TIP3 503 35.348 13.870 49.402 1.00 0.00 WT1 H ATOM 4591 OH2 TIP3 504 63.775 85.345 12.298 1.00 0.00 WT1 O ATOM 4592 H1 TIP3 504 63.940 84.684 11.625 1.00 0.00 WT1 H ATOM 4593 H2 TIP3 504 64.636 85.524 12.674 1.00 0.00 WT1 H ATOM 4594 OH2 TIP3 505 82.378 80.371 4.824 1.00 0.00 WT1 O ATOM 4595 H1 TIP3 505 82.767 80.282 3.954 1.00 0.00 WT1 H ATOM 4596 H2 TIP3 505 81.477 80.648 4.656 1.00 0.00 WT1 H ATOM 4597 OH2 TIP3 506 90.253 0.231 21.180 1.00 0.00 WT1 O ATOM 4598 H1 TIP3 506 89.800 1.041 21.414 1.00 0.00 WT1 H ATOM 4599 H2 TIP3 506 90.177 -0.320 21.959 1.00 0.00 WT1 H ATOM 4600 OH2 TIP3 507 57.823 33.075 48.520 1.00 0.00 WT1 O ATOM 4601 H1 TIP3 507 57.063 32.657 48.115 1.00 0.00 WT1 H ATOM 4602 H2 TIP3 507 58.314 33.443 47.785 1.00 0.00 WT1 H ATOM 4603 OH2 TIP3 508 79.757 10.969 36.529 1.00 0.00 WT1 O ATOM 4604 H1 TIP3 508 79.252 10.211 36.823 1.00 0.00 WT1 H ATOM 4605 H2 TIP3 508 80.530 10.593 36.108 1.00 0.00 WT1 H ATOM 4606 OH2 TIP3 509 44.613 66.058 2.659 1.00 0.00 WT1 O ATOM 4607 H1 TIP3 509 45.460 66.504 2.683 1.00 0.00 WT1 H ATOM 4608 H2 TIP3 509 44.787 65.194 3.033 1.00 0.00 WT1 H ATOM 4609 OH2 TIP3 510 43.894 88.722 16.895 1.00 0.00 WT1 O ATOM 4610 H1 TIP3 510 43.746 88.238 16.083 1.00 0.00 WT1 H ATOM 4611 H2 TIP3 510 44.620 89.312 16.693 1.00 0.00 WT1 H ATOM 4612 OH2 TIP3 511 35.855 9.921 40.855 1.00 0.00 WT1 O ATOM 4613 H1 TIP3 511 36.289 9.402 40.178 1.00 0.00 WT1 H ATOM 4614 H2 TIP3 511 35.962 10.828 40.567 1.00 0.00 WT1 H ATOM 4615 OH2 TIP3 512 33.117 15.484 50.846 1.00 0.00 WT1 O ATOM 4616 H1 TIP3 512 33.609 14.851 50.323 1.00 0.00 WT1 H ATOM 4617 H2 TIP3 512 32.357 14.995 51.161 1.00 0.00 WT1 H ATOM 4618 OH2 TIP3 513 27.875 63.767 32.752 1.00 0.00 WT1 O ATOM 4619 H1 TIP3 513 27.955 63.024 32.153 1.00 0.00 WT1 H ATOM 4620 H2 TIP3 513 27.370 64.416 32.262 1.00 0.00 WT1 H ATOM 4621 OH2 TIP3 514 23.946 27.162 35.348 1.00 0.00 WT1 O ATOM 4622 H1 TIP3 514 23.183 27.397 34.819 1.00 0.00 WT1 H ATOM 4623 H2 TIP3 514 23.749 26.285 35.676 1.00 0.00 WT1 H ATOM 4624 OH2 TIP3 515 77.746 46.859 17.956 1.00 0.00 WT1 O ATOM 4625 H1 TIP3 515 77.707 47.709 17.519 1.00 0.00 WT1 H ATOM 4626 H2 TIP3 515 77.382 46.244 17.320 1.00 0.00 WT1 H ATOM 4627 OH2 TIP3 516 73.007 90.599 19.252 1.00 0.00 WT1 O ATOM 4628 H1 TIP3 516 72.248 90.061 19.478 1.00 0.00 WT1 H ATOM 4629 H2 TIP3 516 73.696 89.968 19.046 1.00 0.00 WT1 H ATOM 4630 OH2 TIP3 517 52.726 21.722 60.715 1.00 0.00 WT1 O ATOM 4631 H1 TIP3 517 53.222 22.268 60.105 1.00 0.00 WT1 H ATOM 4632 H2 TIP3 517 51.948 22.240 60.924 1.00 0.00 WT1 H ATOM 4633 OH2 TIP3 518 41.632 87.768 -9.404 1.00 0.00 WT1 O ATOM 4634 H1 TIP3 518 41.285 86.958 -9.031 1.00 0.00 WT1 H ATOM 4635 H2 TIP3 518 41.311 88.457 -8.822 1.00 0.00 WT1 H ATOM 4636 OH2 TIP3 519 50.358 26.610 18.140 1.00 0.00 WT1 O ATOM 4637 H1 TIP3 519 49.645 26.904 17.573 1.00 0.00 WT1 H ATOM 4638 H2 TIP3 519 50.096 26.887 19.018 1.00 0.00 WT1 H ATOM 4639 OH2 TIP3 521 88.361 58.623 32.227 1.00 0.00 WT1 O ATOM 4640 H1 TIP3 521 87.477 58.308 32.412 1.00 0.00 WT1 H ATOM 4641 H2 TIP3 521 88.933 57.904 32.496 1.00 0.00 WT1 H ATOM 4642 OH2 TIP3 522 54.208 3.895 22.112 1.00 0.00 WT1 O ATOM 4643 H1 TIP3 522 53.295 3.991 22.383 1.00 0.00 WT1 H ATOM 4644 H2 TIP3 522 54.613 4.734 22.331 1.00 0.00 WT1 H ATOM 4645 OH2 TIP3 523 78.865 35.454 40.905 1.00 0.00 WT1 O ATOM 4646 H1 TIP3 523 78.544 36.076 41.558 1.00 0.00 WT1 H ATOM 4647 H2 TIP3 523 78.078 35.004 40.596 1.00 0.00 WT1 H ATOM 4648 OH2 TIP3 524 23.776 91.537 52.073 1.00 0.00 WT1 O ATOM 4649 H1 TIP3 524 24.386 91.132 51.456 1.00 0.00 WT1 H ATOM 4650 H2 TIP3 524 24.332 92.049 52.660 1.00 0.00 WT1 H ATOM 4651 OH2 TIP3 525 52.507 74.451 56.194 1.00 0.00 WT1 O ATOM 4652 H1 TIP3 525 52.082 73.836 55.596 1.00 0.00 WT1 H ATOM 4653 H2 TIP3 525 52.469 74.020 57.048 1.00 0.00 WT1 H ATOM 4654 OH2 TIP3 526 74.340 39.045 12.269 1.00 0.00 WT1 O ATOM 4655 H1 TIP3 526 73.955 38.527 12.976 1.00 0.00 WT1 H ATOM 4656 H2 TIP3 526 74.178 39.954 12.523 1.00 0.00 WT1 H ATOM 4657 OH2 TIP3 527 53.019 5.012 17.514 1.00 0.00 WT1 O ATOM 4658 H1 TIP3 527 52.314 4.485 17.891 1.00 0.00 WT1 H ATOM 4659 H2 TIP3 527 52.569 5.683 17.000 1.00 0.00 WT1 H ATOM 4660 OH2 TIP3 528 77.557 74.852 40.189 1.00 0.00 WT1 O ATOM 4661 H1 TIP3 528 76.756 74.354 40.027 1.00 0.00 WT1 H ATOM 4662 H2 TIP3 528 78.081 74.728 39.397 1.00 0.00 WT1 H ATOM 4663 OH2 TIP3 529 34.977 35.861 -9.622 1.00 0.00 WT1 O ATOM 4664 H1 TIP3 529 34.214 36.082 -9.088 1.00 0.00 WT1 H ATOM 4665 H2 TIP3 529 35.427 35.177 -9.126 1.00 0.00 WT1 H ATOM 4666 OH2 TIP3 530 90.278 41.228 -13.626 1.00 0.00 WT1 O ATOM 4667 H1 TIP3 530 90.173 42.169 -13.768 1.00 0.00 WT1 H ATOM 4668 H2 TIP3 530 91.072 41.000 -14.109 1.00 0.00 WT1 H ATOM 4669 OH2 TIP3 531 26.745 60.448 63.600 1.00 0.00 WT1 O ATOM 4670 H1 TIP3 531 26.509 60.975 64.364 1.00 0.00 WT1 H ATOM 4671 H2 TIP3 531 27.488 59.920 63.893 1.00 0.00 WT1 H ATOM 4672 OH2 TIP3 532 83.471 63.350 29.712 1.00 0.00 WT1 O ATOM 4673 H1 TIP3 532 83.430 64.161 29.205 1.00 0.00 WT1 H ATOM 4674 H2 TIP3 532 83.014 62.706 29.171 1.00 0.00 WT1 H ATOM 4675 OH2 TIP3 533 24.613 39.493 -10.977 1.00 0.00 WT1 O ATOM 4676 H1 TIP3 533 23.718 39.789 -10.811 1.00 0.00 WT1 H ATOM 4677 H2 TIP3 533 25.165 40.173 -10.589 1.00 0.00 WT1 H ATOM 4678 OH2 TIP3 534 43.548 16.337 17.070 1.00 0.00 WT1 O ATOM 4679 H1 TIP3 534 43.830 16.410 16.159 1.00 0.00 WT1 H ATOM 4680 H2 TIP3 534 44.047 17.011 17.531 1.00 0.00 WT1 H ATOM 4681 OH2 TIP3 535 39.195 8.295 16.117 1.00 0.00 WT1 O ATOM 4682 H1 TIP3 535 39.073 9.029 16.719 1.00 0.00 WT1 H ATOM 4683 H2 TIP3 535 39.893 7.774 16.514 1.00 0.00 WT1 H ATOM 4684 OH2 TIP3 536 53.455 19.096 56.153 1.00 0.00 WT1 O ATOM 4685 H1 TIP3 536 54.070 18.482 56.554 1.00 0.00 WT1 H ATOM 4686 H2 TIP3 536 53.551 18.952 55.212 1.00 0.00 WT1 H ATOM 4687 OH2 TIP3 537 47.918 43.342 -6.986 1.00 0.00 WT1 O ATOM 4688 H1 TIP3 537 48.437 43.825 -6.343 1.00 0.00 WT1 H ATOM 4689 H2 TIP3 537 48.264 43.623 -7.833 1.00 0.00 WT1 H ATOM 4690 OH2 TIP3 538 68.136 0.831 58.851 1.00 0.00 WT1 O ATOM 4691 H1 TIP3 538 67.574 1.005 58.096 1.00 0.00 WT1 H ATOM 4692 H2 TIP3 538 68.512 1.683 59.072 1.00 0.00 WT1 H ATOM 4693 OH2 TIP3 539 83.731 45.883 34.566 1.00 0.00 WT1 O ATOM 4694 H1 TIP3 539 83.942 46.655 34.042 1.00 0.00 WT1 H ATOM 4695 H2 TIP3 539 82.790 45.955 34.731 1.00 0.00 WT1 H ATOM 4696 OH2 TIP3 540 74.670 27.911 14.670 1.00 0.00 WT1 O ATOM 4697 H1 TIP3 540 74.322 27.309 15.328 1.00 0.00 WT1 H ATOM 4698 H2 TIP3 540 74.887 28.704 15.161 1.00 0.00 WT1 H ATOM 4699 OH2 TIP3 541 45.376 21.196 -14.264 1.00 0.00 WT1 O ATOM 4700 H1 TIP3 541 45.397 21.326 -13.316 1.00 0.00 WT1 H ATOM 4701 H2 TIP3 541 44.447 21.233 -14.491 1.00 0.00 WT1 H ATOM 4702 OH2 TIP3 542 67.627 69.731 15.676 1.00 0.00 WT1 O ATOM 4703 H1 TIP3 542 67.143 69.141 16.253 1.00 0.00 WT1 H ATOM 4704 H2 TIP3 542 67.940 69.170 14.966 1.00 0.00 WT1 H ATOM 4705 OH2 TIP3 543 30.824 72.023 62.218 1.00 0.00 WT1 O ATOM 4706 H1 TIP3 543 30.057 72.426 62.626 1.00 0.00 WT1 H ATOM 4707 H2 TIP3 543 30.652 71.083 62.261 1.00 0.00 WT1 H ATOM 4708 OH2 TIP3 544 57.361 32.060 9.399 1.00 0.00 WT1 O ATOM 4709 H1 TIP3 544 56.910 32.872 9.169 1.00 0.00 WT1 H ATOM 4710 H2 TIP3 544 57.715 32.222 10.274 1.00 0.00 WT1 H ATOM 4711 OH2 TIP3 546 56.253 91.291 65.768 1.00 0.00 WT1 O ATOM 4712 H1 TIP3 546 57.196 91.255 65.928 1.00 0.00 WT1 H ATOM 4713 H2 TIP3 546 56.108 90.679 65.047 1.00 0.00 WT1 H ATOM 4714 OH2 TIP3 547 89.192 13.994 34.783 1.00 0.00 WT1 O ATOM 4715 H1 TIP3 547 88.530 14.110 34.102 1.00 0.00 WT1 H ATOM 4716 H2 TIP3 547 88.858 14.490 35.530 1.00 0.00 WT1 H ATOM 4717 OH2 TIP3 549 40.337 0.607 -11.629 1.00 0.00 WT1 O ATOM 4718 H1 TIP3 549 41.006 1.283 -11.737 1.00 0.00 WT1 H ATOM 4719 H2 TIP3 549 40.117 0.633 -10.698 1.00 0.00 WT1 H ATOM 4720 OH2 TIP3 550 35.721 16.341 -19.587 1.00 0.00 WT1 O ATOM 4721 H1 TIP3 550 36.187 16.759 -18.863 1.00 0.00 WT1 H ATOM 4722 H2 TIP3 550 35.106 17.007 -19.894 1.00 0.00 WT1 H ATOM 4723 OH2 TIP3 551 78.219 73.097 23.264 1.00 0.00 WT1 O ATOM 4724 H1 TIP3 551 77.481 73.173 23.869 1.00 0.00 WT1 H ATOM 4725 H2 TIP3 551 78.312 72.156 23.115 1.00 0.00 WT1 H ATOM 4726 OH2 TIP3 552 86.607 36.271 54.060 1.00 0.00 WT1 O ATOM 4727 H1 TIP3 552 86.686 35.899 53.181 1.00 0.00 WT1 H ATOM 4728 H2 TIP3 552 86.804 35.541 54.647 1.00 0.00 WT1 H ATOM 4729 OH2 TIP3 553 70.593 16.478 66.396 1.00 0.00 WT1 O ATOM 4730 H1 TIP3 553 69.887 16.321 65.770 1.00 0.00 WT1 H ATOM 4731 H2 TIP3 553 70.437 17.366 66.718 1.00 0.00 WT1 H ATOM 4732 OH2 TIP3 554 78.800 35.236 3.381 1.00 0.00 WT1 O ATOM 4733 H1 TIP3 554 78.297 34.461 3.130 1.00 0.00 WT1 H ATOM 4734 H2 TIP3 554 78.141 35.920 3.504 1.00 0.00 WT1 H ATOM 4735 OH2 TIP3 555 79.932 33.933 7.661 1.00 0.00 WT1 O ATOM 4736 H1 TIP3 555 79.392 33.877 8.449 1.00 0.00 WT1 H ATOM 4737 H2 TIP3 555 79.881 34.852 7.399 1.00 0.00 WT1 H ATOM 4738 OH2 TIP3 556 40.890 22.210 60.615 1.00 0.00 WT1 O ATOM 4739 H1 TIP3 556 40.998 21.285 60.394 1.00 0.00 WT1 H ATOM 4740 H2 TIP3 556 40.704 22.212 61.554 1.00 0.00 WT1 H ATOM 4741 OH2 TIP3 557 51.354 69.348 -7.992 1.00 0.00 WT1 O ATOM 4742 H1 TIP3 557 51.494 69.053 -7.092 1.00 0.00 WT1 H ATOM 4743 H2 TIP3 557 52.235 69.426 -8.359 1.00 0.00 WT1 H ATOM 4744 OH2 TIP3 558 83.466 19.390 -11.023 1.00 0.00 WT1 O ATOM 4745 H1 TIP3 558 83.285 18.546 -10.609 1.00 0.00 WT1 H ATOM 4746 H2 TIP3 558 82.863 20.000 -10.599 1.00 0.00 WT1 H ATOM 4747 OH2 TIP3 559 21.288 62.600 7.314 1.00 0.00 WT1 O ATOM 4748 H1 TIP3 559 21.756 62.359 8.113 1.00 0.00 WT1 H ATOM 4749 H2 TIP3 559 21.868 63.223 6.875 1.00 0.00 WT1 H ATOM 4750 OH2 TIP3 560 23.504 43.261 42.317 1.00 0.00 WT1 O ATOM 4751 H1 TIP3 560 24.039 43.995 42.620 1.00 0.00 WT1 H ATOM 4752 H2 TIP3 560 23.505 43.341 41.363 1.00 0.00 WT1 H ATOM 4753 OH2 TIP3 561 83.595 20.774 -16.186 1.00 0.00 WT1 O ATOM 4754 H1 TIP3 561 84.068 20.084 -16.652 1.00 0.00 WT1 H ATOM 4755 H2 TIP3 561 82.799 20.347 -15.869 1.00 0.00 WT1 H ATOM 4756 OH2 TIP3 562 69.922 69.489 23.436 1.00 0.00 WT1 O ATOM 4757 H1 TIP3 562 69.088 69.507 22.966 1.00 0.00 WT1 H ATOM 4758 H2 TIP3 562 69.676 69.497 24.361 1.00 0.00 WT1 H ATOM 4759 OH2 TIP3 563 39.019 69.149 10.724 1.00 0.00 WT1 O ATOM 4760 H1 TIP3 563 39.837 69.586 10.962 1.00 0.00 WT1 H ATOM 4761 H2 TIP3 563 39.174 68.226 10.922 1.00 0.00 WT1 H ATOM 4762 OH2 TIP3 564 83.326 30.546 58.607 1.00 0.00 WT1 O ATOM 4763 H1 TIP3 564 83.776 31.381 58.483 1.00 0.00 WT1 H ATOM 4764 H2 TIP3 564 82.702 30.499 57.882 1.00 0.00 WT1 H ATOM 4765 OH2 TIP3 565 65.979 15.418 31.202 1.00 0.00 WT1 O ATOM 4766 H1 TIP3 565 66.351 16.229 30.855 1.00 0.00 WT1 H ATOM 4767 H2 TIP3 565 65.851 15.592 32.134 1.00 0.00 WT1 H ATOM 4768 OH2 TIP3 567 79.342 34.597 32.104 1.00 0.00 WT1 O ATOM 4769 H1 TIP3 567 79.181 34.381 31.185 1.00 0.00 WT1 H ATOM 4770 H2 TIP3 567 79.050 35.505 32.191 1.00 0.00 WT1 H ATOM 4771 OH2 TIP3 568 41.125 30.784 -3.159 1.00 0.00 WT1 O ATOM 4772 H1 TIP3 568 42.068 30.944 -3.200 1.00 0.00 WT1 H ATOM 4773 H2 TIP3 568 41.039 29.833 -3.216 1.00 0.00 WT1 H ATOM 4774 OH2 TIP3 569 35.496 12.615 11.654 1.00 0.00 WT1 O ATOM 4775 H1 TIP3 569 35.149 13.120 10.919 1.00 0.00 WT1 H ATOM 4776 H2 TIP3 569 36.439 12.778 11.634 1.00 0.00 WT1 H ATOM 4777 OH2 TIP3 570 56.428 18.631 43.982 1.00 0.00 WT1 O ATOM 4778 H1 TIP3 570 56.547 19.555 44.203 1.00 0.00 WT1 H ATOM 4779 H2 TIP3 570 57.248 18.214 44.243 1.00 0.00 WT1 H ATOM 4780 OH2 TIP3 571 57.483 28.233 -9.555 1.00 0.00 WT1 O ATOM 4781 H1 TIP3 571 57.663 29.144 -9.784 1.00 0.00 WT1 H ATOM 4782 H2 TIP3 571 57.678 28.178 -8.619 1.00 0.00 WT1 H ATOM 4783 OH2 TIP3 572 23.470 3.083 -12.582 1.00 0.00 WT1 O ATOM 4784 H1 TIP3 572 22.892 2.322 -12.527 1.00 0.00 WT1 H ATOM 4785 H2 TIP3 572 23.431 3.348 -13.501 1.00 0.00 WT1 H ATOM 4786 OH2 TIP3 573 48.224 34.906 8.825 1.00 0.00 WT1 O ATOM 4787 H1 TIP3 573 48.208 35.142 9.753 1.00 0.00 WT1 H ATOM 4788 H2 TIP3 573 48.950 34.286 8.748 1.00 0.00 WT1 H ATOM 4789 OH2 TIP3 574 70.395 46.313 37.336 1.00 0.00 WT1 O ATOM 4790 H1 TIP3 574 71.073 46.960 37.139 1.00 0.00 WT1 H ATOM 4791 H2 TIP3 574 69.581 46.816 37.351 1.00 0.00 WT1 H ATOM 4792 OH2 TIP3 575 87.761 82.777 12.252 1.00 0.00 WT1 O ATOM 4793 H1 TIP3 575 87.553 82.913 11.328 1.00 0.00 WT1 H ATOM 4794 H2 TIP3 575 87.280 81.984 12.492 1.00 0.00 WT1 H ATOM 4795 OH2 TIP3 576 28.741 41.922 14.368 1.00 0.00 WT1 O ATOM 4796 H1 TIP3 576 29.582 41.464 14.383 1.00 0.00 WT1 H ATOM 4797 H2 TIP3 576 28.087 41.224 14.410 1.00 0.00 WT1 H ATOM 4798 OH2 TIP3 577 29.439 29.538 26.489 1.00 0.00 WT1 O ATOM 4799 H1 TIP3 577 29.670 29.117 27.317 1.00 0.00 WT1 H ATOM 4800 H2 TIP3 577 29.134 28.822 25.932 1.00 0.00 WT1 H ATOM 4801 OH2 TIP3 578 23.914 20.375 1.875 1.00 0.00 WT1 O ATOM 4802 H1 TIP3 578 24.811 20.595 1.624 1.00 0.00 WT1 H ATOM 4803 H2 TIP3 578 23.976 20.130 2.798 1.00 0.00 WT1 H ATOM 4804 OH2 TIP3 579 87.118 37.651 13.764 1.00 0.00 WT1 O ATOM 4805 H1 TIP3 579 86.307 37.913 14.202 1.00 0.00 WT1 H ATOM 4806 H2 TIP3 579 87.013 37.957 12.863 1.00 0.00 WT1 H ATOM 4807 OH2 TIP3 580 36.257 50.936 0.845 1.00 0.00 WT1 O ATOM 4808 H1 TIP3 580 35.562 51.578 0.992 1.00 0.00 WT1 H ATOM 4809 H2 TIP3 580 37.012 51.287 1.317 1.00 0.00 WT1 H ATOM 4810 OH2 TIP3 581 22.046 8.781 9.726 1.00 0.00 WT1 O ATOM 4811 H1 TIP3 581 22.031 9.641 10.146 1.00 0.00 WT1 H ATOM 4812 H2 TIP3 581 21.394 8.844 9.028 1.00 0.00 WT1 H ATOM 4813 OH2 TIP3 582 67.089 71.391 -18.016 1.00 0.00 WT1 O ATOM 4814 H1 TIP3 582 67.418 71.353 -17.118 1.00 0.00 WT1 H ATOM 4815 H2 TIP3 582 67.509 72.164 -18.393 1.00 0.00 WT1 H ATOM 4816 OH2 TIP3 583 21.984 30.284 15.846 1.00 0.00 WT1 O ATOM 4817 H1 TIP3 583 22.478 31.095 15.967 1.00 0.00 WT1 H ATOM 4818 H2 TIP3 583 21.174 30.421 16.337 1.00 0.00 WT1 H ATOM 4819 OH2 TIP3 584 51.888 11.751 -5.965 1.00 0.00 WT1 O ATOM 4820 H1 TIP3 584 50.969 11.637 -6.207 1.00 0.00 WT1 H ATOM 4821 H2 TIP3 584 52.359 11.118 -6.507 1.00 0.00 WT1 H ATOM 4822 OH2 TIP3 585 77.722 83.912 47.499 1.00 0.00 WT1 O ATOM 4823 H1 TIP3 585 78.442 83.288 47.593 1.00 0.00 WT1 H ATOM 4824 H2 TIP3 585 77.435 83.812 46.591 1.00 0.00 WT1 H ATOM 4825 OH2 TIP3 586 33.633 91.164 -13.016 1.00 0.00 WT1 O ATOM 4826 H1 TIP3 586 32.955 91.005 -12.358 1.00 0.00 WT1 H ATOM 4827 H2 TIP3 586 33.656 92.116 -13.112 1.00 0.00 WT1 H ATOM 4828 OH2 TIP3 587 20.797 84.369 39.964 1.00 0.00 WT1 O ATOM 4829 H1 TIP3 587 20.065 84.053 39.433 1.00 0.00 WT1 H ATOM 4830 H2 TIP3 587 20.473 84.333 40.864 1.00 0.00 WT1 H ATOM 4831 OH2 TIP3 588 37.439 72.239 -8.357 1.00 0.00 WT1 O ATOM 4832 H1 TIP3 588 36.685 72.548 -7.854 1.00 0.00 WT1 H ATOM 4833 H2 TIP3 588 37.218 72.438 -9.267 1.00 0.00 WT1 H ATOM 4834 OH2 TIP3 589 39.992 24.281 29.107 1.00 0.00 WT1 O ATOM 4835 H1 TIP3 589 40.250 25.002 28.533 1.00 0.00 WT1 H ATOM 4836 H2 TIP3 589 40.815 23.965 29.481 1.00 0.00 WT1 H ATOM 4837 OH2 TIP3 590 22.872 34.914 51.233 1.00 0.00 WT1 O ATOM 4838 H1 TIP3 590 23.662 35.030 50.705 1.00 0.00 WT1 H ATOM 4839 H2 TIP3 590 22.533 35.801 51.355 1.00 0.00 WT1 H ATOM 4840 OH2 TIP3 591 87.684 74.595 19.157 1.00 0.00 WT1 O ATOM 4841 H1 TIP3 591 88.495 74.224 18.810 1.00 0.00 WT1 H ATOM 4842 H2 TIP3 591 87.172 73.835 19.434 1.00 0.00 WT1 H ATOM 4843 OH2 TIP3 592 27.056 90.079 64.266 1.00 0.00 WT1 O ATOM 4844 H1 TIP3 592 27.269 90.792 63.665 1.00 0.00 WT1 H ATOM 4845 H2 TIP3 592 26.107 89.976 64.190 1.00 0.00 WT1 H ATOM 4846 OH2 TIP3 593 39.375 22.314 16.050 1.00 0.00 WT1 O ATOM 4847 H1 TIP3 593 39.530 22.110 16.973 1.00 0.00 WT1 H ATOM 4848 H2 TIP3 593 39.635 23.231 15.960 1.00 0.00 WT1 H ATOM 4849 OH2 TIP3 594 69.207 70.611 4.179 1.00 0.00 WT1 O ATOM 4850 H1 TIP3 594 68.905 70.155 3.393 1.00 0.00 WT1 H ATOM 4851 H2 TIP3 594 68.746 71.450 4.162 1.00 0.00 WT1 H ATOM 4852 OH2 TIP3 595 65.055 18.520 38.385 1.00 0.00 WT1 O ATOM 4853 H1 TIP3 595 64.288 19.070 38.223 1.00 0.00 WT1 H ATOM 4854 H2 TIP3 595 65.475 18.435 37.529 1.00 0.00 WT1 H ATOM 4855 OH2 TIP3 596 49.896 41.551 -4.642 1.00 0.00 WT1 O ATOM 4856 H1 TIP3 596 50.498 41.337 -3.930 1.00 0.00 WT1 H ATOM 4857 H2 TIP3 596 50.348 42.230 -5.142 1.00 0.00 WT1 H ATOM 4858 OH2 TIP3 597 68.019 81.790 -11.656 1.00 0.00 WT1 O ATOM 4859 H1 TIP3 597 68.176 82.182 -12.515 1.00 0.00 WT1 H ATOM 4860 H2 TIP3 597 67.763 80.888 -11.847 1.00 0.00 WT1 H ATOM 4861 OH2 TIP3 598 34.007 14.285 -13.494 1.00 0.00 WT1 O ATOM 4862 H1 TIP3 598 33.383 13.824 -14.056 1.00 0.00 WT1 H ATOM 4863 H2 TIP3 598 33.608 14.263 -12.624 1.00 0.00 WT1 H ATOM 4864 OH2 TIP3 599 79.145 50.100 40.971 1.00 0.00 WT1 O ATOM 4865 H1 TIP3 599 78.340 50.373 41.411 1.00 0.00 WT1 H ATOM 4866 H2 TIP3 599 78.989 50.291 40.046 1.00 0.00 WT1 H ATOM 4867 OH2 TIP3 600 51.027 28.781 50.485 1.00 0.00 WT1 O ATOM 4868 H1 TIP3 600 50.646 29.575 50.110 1.00 0.00 WT1 H ATOM 4869 H2 TIP3 600 50.425 28.533 51.186 1.00 0.00 WT1 H ATOM 4870 OH2 TIP3 602 24.132 92.319 48.254 1.00 0.00 WT1 O ATOM 4871 H1 TIP3 602 24.469 91.812 47.516 1.00 0.00 WT1 H ATOM 4872 H2 TIP3 602 23.412 91.791 48.599 1.00 0.00 WT1 H ATOM 4873 OH2 TIP3 603 39.181 18.159 32.728 1.00 0.00 WT1 O ATOM 4874 H1 TIP3 603 38.414 17.803 32.279 1.00 0.00 WT1 H ATOM 4875 H2 TIP3 603 39.702 18.560 32.032 1.00 0.00 WT1 H ATOM 4876 OH2 TIP3 604 22.847 68.123 31.435 1.00 0.00 WT1 O ATOM 4877 H1 TIP3 604 23.235 68.247 32.301 1.00 0.00 WT1 H ATOM 4878 H2 TIP3 604 23.480 68.511 30.831 1.00 0.00 WT1 H ATOM 4879 OH2 TIP3 605 51.878 12.856 9.760 1.00 0.00 WT1 O ATOM 4880 H1 TIP3 605 51.066 13.122 10.192 1.00 0.00 WT1 H ATOM 4881 H2 TIP3 605 51.894 13.360 8.946 1.00 0.00 WT1 H ATOM 4882 OH2 TIP3 606 44.099 2.911 60.048 1.00 0.00 WT1 O ATOM 4883 H1 TIP3 606 43.327 2.346 60.046 1.00 0.00 WT1 H ATOM 4884 H2 TIP3 606 44.612 2.619 59.294 1.00 0.00 WT1 H ATOM 4885 OH2 TIP3 607 72.746 79.760 60.095 1.00 0.00 WT1 O ATOM 4886 H1 TIP3 607 72.162 79.237 60.645 1.00 0.00 WT1 H ATOM 4887 H2 TIP3 607 73.566 79.802 60.588 1.00 0.00 WT1 H ATOM 4888 OH2 TIP3 608 29.754 68.525 -6.247 1.00 0.00 WT1 O ATOM 4889 H1 TIP3 608 30.198 67.844 -5.743 1.00 0.00 WT1 H ATOM 4890 H2 TIP3 608 29.568 69.214 -5.609 1.00 0.00 WT1 H ATOM 4891 OH2 TIP3 609 49.268 10.996 43.280 1.00 0.00 WT1 O ATOM 4892 H1 TIP3 609 48.907 10.136 43.494 1.00 0.00 WT1 H ATOM 4893 H2 TIP3 609 48.529 11.481 42.912 1.00 0.00 WT1 H ATOM 4894 OH2 TIP3 610 22.142 27.748 31.089 1.00 0.00 WT1 O ATOM 4895 H1 TIP3 610 22.084 27.856 32.039 1.00 0.00 WT1 H ATOM 4896 H2 TIP3 610 22.814 27.078 30.965 1.00 0.00 WT1 H ATOM 4897 OH2 TIP3 611 37.219 14.917 14.748 1.00 0.00 WT1 O ATOM 4898 H1 TIP3 611 37.691 15.479 15.362 1.00 0.00 WT1 H ATOM 4899 H2 TIP3 611 36.308 15.204 14.813 1.00 0.00 WT1 H ATOM 4900 OH2 TIP3 612 88.052 89.885 33.587 1.00 0.00 WT1 O ATOM 4901 H1 TIP3 612 88.132 89.679 32.655 1.00 0.00 WT1 H ATOM 4902 H2 TIP3 612 87.580 89.140 33.958 1.00 0.00 WT1 H ATOM 4903 OH2 TIP3 613 66.590 24.247 17.908 1.00 0.00 WT1 O ATOM 4904 H1 TIP3 613 65.786 24.655 17.586 1.00 0.00 WT1 H ATOM 4905 H2 TIP3 613 66.370 23.948 18.790 1.00 0.00 WT1 H ATOM 4906 OH2 TIP3 614 69.757 35.159 51.210 1.00 0.00 WT1 O ATOM 4907 H1 TIP3 614 69.802 34.204 51.158 1.00 0.00 WT1 H ATOM 4908 H2 TIP3 614 69.667 35.445 50.301 1.00 0.00 WT1 H ATOM 4909 OH2 TIP3 615 78.806 28.960 39.715 1.00 0.00 WT1 O ATOM 4910 H1 TIP3 615 79.170 28.544 38.933 1.00 0.00 WT1 H ATOM 4911 H2 TIP3 615 77.859 28.850 39.627 1.00 0.00 WT1 H ATOM 4912 OH2 TIP3 616 54.212 81.003 26.083 1.00 0.00 WT1 O ATOM 4913 H1 TIP3 616 54.994 80.534 25.794 1.00 0.00 WT1 H ATOM 4914 H2 TIP3 616 53.629 80.318 26.411 1.00 0.00 WT1 H ATOM 4915 OH2 TIP3 617 86.019 19.420 -8.413 1.00 0.00 WT1 O ATOM 4916 H1 TIP3 617 86.620 19.246 -7.689 1.00 0.00 WT1 H ATOM 4917 H2 TIP3 617 86.322 18.850 -9.119 1.00 0.00 WT1 H ATOM 4918 OH2 TIP3 618 24.006 55.974 1.746 1.00 0.00 WT1 O ATOM 4919 H1 TIP3 618 24.206 55.275 2.369 1.00 0.00 WT1 H ATOM 4920 H2 TIP3 618 24.798 56.511 1.726 1.00 0.00 WT1 H ATOM 4921 OH2 TIP3 619 24.352 25.656 9.333 1.00 0.00 WT1 O ATOM 4922 H1 TIP3 619 23.598 25.370 9.849 1.00 0.00 WT1 H ATOM 4923 H2 TIP3 619 24.924 26.090 9.965 1.00 0.00 WT1 H ATOM 4924 OH2 TIP3 620 76.889 66.158 -2.532 1.00 0.00 WT1 O ATOM 4925 H1 TIP3 620 76.846 66.344 -1.594 1.00 0.00 WT1 H ATOM 4926 H2 TIP3 620 77.053 65.217 -2.583 1.00 0.00 WT1 H ATOM 4927 OH2 TIP3 621 59.688 2.233 13.257 1.00 0.00 WT1 O ATOM 4928 H1 TIP3 621 60.516 2.440 12.822 1.00 0.00 WT1 H ATOM 4929 H2 TIP3 621 59.924 1.592 13.927 1.00 0.00 WT1 H ATOM 4930 OH2 TIP3 622 57.077 78.632 31.079 1.00 0.00 WT1 O ATOM 4931 H1 TIP3 622 56.862 77.805 31.511 1.00 0.00 WT1 H ATOM 4932 H2 TIP3 622 56.244 79.101 31.031 1.00 0.00 WT1 H ATOM 4933 OH2 TIP3 623 40.425 72.750 10.248 1.00 0.00 WT1 O ATOM 4934 H1 TIP3 623 40.649 72.861 11.172 1.00 0.00 WT1 H ATOM 4935 H2 TIP3 623 40.950 72.002 9.962 1.00 0.00 WT1 H ATOM 4936 OH2 TIP3 624 50.279 42.355 5.580 1.00 0.00 WT1 O ATOM 4937 H1 TIP3 624 51.177 42.312 5.907 1.00 0.00 WT1 H ATOM 4938 H2 TIP3 624 49.923 43.157 5.963 1.00 0.00 WT1 H ATOM 4939 OH2 TIP3 625 22.889 19.296 64.041 1.00 0.00 WT1 O ATOM 4940 H1 TIP3 625 23.307 19.851 64.700 1.00 0.00 WT1 H ATOM 4941 H2 TIP3 625 22.408 19.907 63.483 1.00 0.00 WT1 H ATOM 4942 OH2 TIP3 626 27.267 1.977 26.906 1.00 0.00 WT1 O ATOM 4943 H1 TIP3 626 27.314 1.156 26.415 1.00 0.00 WT1 H ATOM 4944 H2 TIP3 626 27.761 1.805 27.708 1.00 0.00 WT1 H ATOM 4945 OH2 TIP3 627 53.470 25.017 47.890 1.00 0.00 WT1 O ATOM 4946 H1 TIP3 627 53.243 25.877 48.243 1.00 0.00 WT1 H ATOM 4947 H2 TIP3 627 53.007 24.397 48.453 1.00 0.00 WT1 H ATOM 4948 OH2 TIP3 628 58.540 27.741 35.217 1.00 0.00 WT1 O ATOM 4949 H1 TIP3 628 58.374 28.561 34.752 1.00 0.00 WT1 H ATOM 4950 H2 TIP3 628 58.297 27.057 34.593 1.00 0.00 WT1 H ATOM 4951 OH2 TIP3 629 74.547 93.396 53.087 1.00 0.00 WT1 O ATOM 4952 H1 TIP3 629 74.179 92.538 52.877 1.00 0.00 WT1 H ATOM 4953 H2 TIP3 629 74.423 93.913 52.291 1.00 0.00 WT1 H ATOM 4954 OH2 TIP3 630 21.286 42.894 -5.019 1.00 0.00 WT1 O ATOM 4955 H1 TIP3 630 22.130 42.712 -4.605 1.00 0.00 WT1 H ATOM 4956 H2 TIP3 630 21.112 43.813 -4.815 1.00 0.00 WT1 H ATOM 4957 OH2 TIP3 631 44.248 26.971 -5.990 1.00 0.00 WT1 O ATOM 4958 H1 TIP3 631 43.990 26.726 -5.101 1.00 0.00 WT1 H ATOM 4959 H2 TIP3 631 43.744 26.387 -6.556 1.00 0.00 WT1 H ATOM 4960 OH2 TIP3 632 55.672 78.851 -18.969 1.00 0.00 WT1 O ATOM 4961 H1 TIP3 632 55.060 78.674 -18.254 1.00 0.00 WT1 H ATOM 4962 H2 TIP3 632 55.430 78.225 -19.652 1.00 0.00 WT1 H ATOM 4963 OH2 TIP3 633 68.483 68.203 38.722 1.00 0.00 WT1 O ATOM 4964 H1 TIP3 633 68.076 67.832 39.505 1.00 0.00 WT1 H ATOM 4965 H2 TIP3 633 68.389 67.521 38.057 1.00 0.00 WT1 H ATOM 4966 OH2 TIP3 634 37.921 93.984 13.132 1.00 0.00 WT1 O ATOM 4967 H1 TIP3 634 38.658 93.618 13.621 1.00 0.00 WT1 H ATOM 4968 H2 TIP3 634 38.235 94.037 12.229 1.00 0.00 WT1 H ATOM 4969 OH2 TIP3 635 90.321 40.056 31.555 1.00 0.00 WT1 O ATOM 4970 H1 TIP3 635 91.061 39.453 31.482 1.00 0.00 WT1 H ATOM 4971 H2 TIP3 635 89.580 39.571 31.193 1.00 0.00 WT1 H ATOM 4972 OH2 TIP3 636 32.981 46.679 45.118 1.00 0.00 WT1 O ATOM 4973 H1 TIP3 636 32.563 45.829 44.981 1.00 0.00 WT1 H ATOM 4974 H2 TIP3 636 32.260 47.308 45.102 1.00 0.00 WT1 H ATOM 4975 OH2 TIP3 637 60.882 32.716 49.366 1.00 0.00 WT1 O ATOM 4976 H1 TIP3 637 60.582 32.571 50.264 1.00 0.00 WT1 H ATOM 4977 H2 TIP3 637 60.136 32.467 48.821 1.00 0.00 WT1 H ATOM 4978 OH2 TIP3 638 57.962 38.587 56.691 1.00 0.00 WT1 O ATOM 4979 H1 TIP3 638 57.117 38.428 57.113 1.00 0.00 WT1 H ATOM 4980 H2 TIP3 638 58.515 37.862 56.982 1.00 0.00 WT1 H ATOM 4981 OH2 TIP3 639 86.018 28.125 7.333 1.00 0.00 WT1 O ATOM 4982 H1 TIP3 639 85.222 28.627 7.509 1.00 0.00 WT1 H ATOM 4983 H2 TIP3 639 86.294 28.411 6.463 1.00 0.00 WT1 H ATOM 4984 OH2 TIP3 640 52.283 28.886 53.704 1.00 0.00 WT1 O ATOM 4985 H1 TIP3 640 52.099 29.790 53.446 1.00 0.00 WT1 H ATOM 4986 H2 TIP3 640 52.902 28.570 53.046 1.00 0.00 WT1 H ATOM 4987 OH2 TIP3 641 61.318 50.107 64.585 1.00 0.00 WT1 O ATOM 4988 H1 TIP3 641 61.032 49.216 64.784 1.00 0.00 WT1 H ATOM 4989 H2 TIP3 641 60.520 50.633 64.642 1.00 0.00 WT1 H ATOM 4990 OH2 TIP3 642 45.368 16.072 -11.313 1.00 0.00 WT1 O ATOM 4991 H1 TIP3 642 44.527 16.529 -11.296 1.00 0.00 WT1 H ATOM 4992 H2 TIP3 642 45.497 15.840 -12.233 1.00 0.00 WT1 H ATOM 4993 OH2 TIP3 643 89.345 37.255 -14.542 1.00 0.00 WT1 O ATOM 4994 H1 TIP3 643 88.974 36.561 -15.088 1.00 0.00 WT1 H ATOM 4995 H2 TIP3 643 90.081 36.839 -14.094 1.00 0.00 WT1 H ATOM 4996 OH2 TIP3 644 80.350 3.103 37.277 1.00 0.00 WT1 O ATOM 4997 H1 TIP3 644 81.137 3.568 37.561 1.00 0.00 WT1 H ATOM 4998 H2 TIP3 644 80.560 2.177 37.399 1.00 0.00 WT1 H ATOM 4999 OH2 TIP3 645 76.495 28.278 9.222 1.00 0.00 WT1 O ATOM 5000 H1 TIP3 645 75.653 28.646 9.492 1.00 0.00 WT1 H ATOM 5001 H2 TIP3 645 76.560 27.452 9.702 1.00 0.00 WT1 H ATOM 5002 OH2 TIP3 646 82.122 59.199 15.216 1.00 0.00 WT1 O ATOM 5003 H1 TIP3 646 83.028 59.131 14.915 1.00 0.00 WT1 H ATOM 5004 H2 TIP3 646 81.839 58.293 15.333 1.00 0.00 WT1 H ATOM 5005 OH2 TIP3 647 67.558 30.290 -1.544 1.00 0.00 WT1 O ATOM 5006 H1 TIP3 647 67.009 31.044 -1.329 1.00 0.00 WT1 H ATOM 5007 H2 TIP3 647 67.625 29.800 -0.725 1.00 0.00 WT1 H ATOM 5008 OH2 TIP3 648 47.993 48.930 -9.061 1.00 0.00 WT1 O ATOM 5009 H1 TIP3 648 47.675 48.688 -8.192 1.00 0.00 WT1 H ATOM 5010 H2 TIP3 648 47.714 49.839 -9.174 1.00 0.00 WT1 H ATOM 5011 OH2 TIP3 649 73.904 56.084 25.229 1.00 0.00 WT1 O ATOM 5012 H1 TIP3 649 73.114 56.353 24.760 1.00 0.00 WT1 H ATOM 5013 H2 TIP3 649 74.010 55.158 25.008 1.00 0.00 WT1 H ATOM 5014 OH2 TIP3 650 43.865 41.178 22.465 1.00 0.00 WT1 O ATOM 5015 H1 TIP3 650 43.817 40.790 21.591 1.00 0.00 WT1 H ATOM 5016 H2 TIP3 650 44.697 41.651 22.471 1.00 0.00 WT1 H ATOM 5017 OH2 TIP3 651 30.317 7.931 35.598 1.00 0.00 WT1 O ATOM 5018 H1 TIP3 651 30.677 8.399 36.352 1.00 0.00 WT1 H ATOM 5019 H2 TIP3 651 29.420 8.257 35.520 1.00 0.00 WT1 H ATOM 5020 OH2 TIP3 652 57.740 89.086 12.178 1.00 0.00 WT1 O ATOM 5021 H1 TIP3 652 58.087 89.967 12.036 1.00 0.00 WT1 H ATOM 5022 H2 TIP3 652 57.552 89.050 13.115 1.00 0.00 WT1 H ATOM 5023 OH2 TIP3 653 29.574 13.868 10.709 1.00 0.00 WT1 O ATOM 5024 H1 TIP3 653 30.508 14.045 10.824 1.00 0.00 WT1 H ATOM 5025 H2 TIP3 653 29.154 14.722 10.805 1.00 0.00 WT1 H ATOM 5026 OH2 TIP3 654 33.144 86.532 31.944 1.00 0.00 WT1 O ATOM 5027 H1 TIP3 654 32.879 85.922 32.633 1.00 0.00 WT1 H ATOM 5028 H2 TIP3 654 33.381 87.333 32.411 1.00 0.00 WT1 H ATOM 5029 OH2 TIP3 655 31.641 34.272 22.583 1.00 0.00 WT1 O ATOM 5030 H1 TIP3 655 32.384 33.837 23.003 1.00 0.00 WT1 H ATOM 5031 H2 TIP3 655 32.038 34.949 22.035 1.00 0.00 WT1 H ATOM 5032 OH2 TIP3 656 81.041 20.306 61.499 1.00 0.00 WT1 O ATOM 5033 H1 TIP3 656 81.095 19.743 60.726 1.00 0.00 WT1 H ATOM 5034 H2 TIP3 656 81.655 19.918 62.122 1.00 0.00 WT1 H ATOM 5035 OH2 TIP3 657 34.477 23.918 -15.636 1.00 0.00 WT1 O ATOM 5036 H1 TIP3 657 34.231 24.588 -16.274 1.00 0.00 WT1 H ATOM 5037 H2 TIP3 657 34.825 24.411 -14.893 1.00 0.00 WT1 H ATOM 5038 OH2 TIP3 658 33.320 49.845 -3.961 1.00 0.00 WT1 O ATOM 5039 H1 TIP3 658 34.009 50.286 -3.465 1.00 0.00 WT1 H ATOM 5040 H2 TIP3 658 33.597 49.917 -4.874 1.00 0.00 WT1 H ATOM 5041 OH2 TIP3 659 22.744 52.264 57.308 1.00 0.00 WT1 O ATOM 5042 H1 TIP3 659 22.401 51.418 57.597 1.00 0.00 WT1 H ATOM 5043 H2 TIP3 659 22.694 52.229 56.352 1.00 0.00 WT1 H ATOM 5044 OH2 TIP3 660 80.833 70.353 27.815 1.00 0.00 WT1 O ATOM 5045 H1 TIP3 660 80.094 69.751 27.907 1.00 0.00 WT1 H ATOM 5046 H2 TIP3 660 81.534 69.819 27.443 1.00 0.00 WT1 H ATOM 5047 OH2 TIP3 661 28.505 74.698 13.421 1.00 0.00 WT1 O ATOM 5048 H1 TIP3 661 27.867 74.247 12.868 1.00 0.00 WT1 H ATOM 5049 H2 TIP3 661 28.080 74.760 14.277 1.00 0.00 WT1 H ATOM 5050 OH2 TIP3 662 39.360 50.597 11.290 1.00 0.00 WT1 O ATOM 5051 H1 TIP3 662 40.283 50.693 11.055 1.00 0.00 WT1 H ATOM 5052 H2 TIP3 662 39.165 51.373 11.816 1.00 0.00 WT1 H ATOM 5053 OH2 TIP3 663 64.715 19.194 65.752 1.00 0.00 WT1 O ATOM 5054 H1 TIP3 663 65.402 19.432 65.130 1.00 0.00 WT1 H ATOM 5055 H2 TIP3 663 64.693 19.920 66.376 1.00 0.00 WT1 H ATOM 5056 OH2 TIP3 664 53.517 24.186 33.953 1.00 0.00 WT1 O ATOM 5057 H1 TIP3 664 52.619 24.190 33.622 1.00 0.00 WT1 H ATOM 5058 H2 TIP3 664 53.896 23.378 33.607 1.00 0.00 WT1 H ATOM 5059 OH2 TIP3 665 46.797 5.414 -1.002 1.00 0.00 WT1 O ATOM 5060 H1 TIP3 665 46.368 6.192 -0.645 1.00 0.00 WT1 H ATOM 5061 H2 TIP3 665 46.261 4.683 -0.696 1.00 0.00 WT1 H ATOM 5062 OH2 TIP3 666 73.686 50.189 56.564 1.00 0.00 WT1 O ATOM 5063 H1 TIP3 666 73.595 51.037 56.999 1.00 0.00 WT1 H ATOM 5064 H2 TIP3 666 73.870 50.407 55.650 1.00 0.00 WT1 H ATOM 5065 OH2 TIP3 667 50.910 50.699 60.799 1.00 0.00 WT1 O ATOM 5066 H1 TIP3 667 50.899 51.326 60.076 1.00 0.00 WT1 H ATOM 5067 H2 TIP3 667 49.989 50.595 61.040 1.00 0.00 WT1 H ATOM 5068 OH2 TIP3 668 65.311 22.711 54.364 1.00 0.00 WT1 O ATOM 5069 H1 TIP3 668 64.724 23.130 54.993 1.00 0.00 WT1 H ATOM 5070 H2 TIP3 668 65.598 23.423 53.793 1.00 0.00 WT1 H ATOM 5071 OH2 TIP3 669 24.892 79.227 40.035 1.00 0.00 WT1 O ATOM 5072 H1 TIP3 669 24.269 78.561 39.742 1.00 0.00 WT1 H ATOM 5073 H2 TIP3 669 25.496 78.754 40.607 1.00 0.00 WT1 H ATOM 5074 OH2 TIP3 670 78.412 54.352 28.524 1.00 0.00 WT1 O ATOM 5075 H1 TIP3 670 78.986 55.094 28.332 1.00 0.00 WT1 H ATOM 5076 H2 TIP3 670 77.684 54.732 29.014 1.00 0.00 WT1 H ATOM 5077 OH2 TIP3 671 74.778 70.545 27.056 1.00 0.00 WT1 O ATOM 5078 H1 TIP3 671 75.009 69.887 26.401 1.00 0.00 WT1 H ATOM 5079 H2 TIP3 671 73.907 70.287 27.360 1.00 0.00 WT1 H ATOM 5080 OH2 TIP3 672 73.231 28.183 7.948 1.00 0.00 WT1 O ATOM 5081 H1 TIP3 672 72.343 28.461 8.174 1.00 0.00 WT1 H ATOM 5082 H2 TIP3 672 73.798 28.706 8.514 1.00 0.00 WT1 H ATOM 5083 OH2 TIP3 673 89.447 80.485 63.852 1.00 0.00 WT1 O ATOM 5084 H1 TIP3 673 88.861 80.433 64.607 1.00 0.00 WT1 H ATOM 5085 H2 TIP3 673 90.293 80.183 64.185 1.00 0.00 WT1 H ATOM 5086 OH2 TIP3 674 71.233 91.014 40.672 1.00 0.00 WT1 O ATOM 5087 H1 TIP3 674 70.939 91.449 41.472 1.00 0.00 WT1 H ATOM 5088 H2 TIP3 674 70.426 90.749 40.232 1.00 0.00 WT1 H ATOM 5089 OH2 TIP3 675 86.636 28.664 44.020 1.00 0.00 WT1 O ATOM 5090 H1 TIP3 675 86.345 28.450 44.906 1.00 0.00 WT1 H ATOM 5091 H2 TIP3 675 86.923 29.576 44.076 1.00 0.00 WT1 H ATOM 5092 OH2 TIP3 676 40.143 6.053 -10.594 1.00 0.00 WT1 O ATOM 5093 H1 TIP3 676 40.435 6.528 -9.816 1.00 0.00 WT1 H ATOM 5094 H2 TIP3 676 40.442 6.589 -11.329 1.00 0.00 WT1 H ATOM 5095 OH2 TIP3 677 81.462 47.465 1.076 1.00 0.00 WT1 O ATOM 5096 H1 TIP3 677 80.794 48.037 1.454 1.00 0.00 WT1 H ATOM 5097 H2 TIP3 677 81.106 46.582 1.177 1.00 0.00 WT1 H ATOM 5098 OH2 TIP3 679 80.118 42.437 20.556 1.00 0.00 WT1 O ATOM 5099 H1 TIP3 679 80.666 43.185 20.320 1.00 0.00 WT1 H ATOM 5100 H2 TIP3 679 79.575 42.755 21.277 1.00 0.00 WT1 H ATOM 5101 OH2 TIP3 680 69.542 19.916 13.550 1.00 0.00 WT1 O ATOM 5102 H1 TIP3 680 69.385 18.978 13.443 1.00 0.00 WT1 H ATOM 5103 H2 TIP3 680 69.278 20.103 14.451 1.00 0.00 WT1 H ATOM 5104 OH2 TIP3 681 55.587 70.696 41.396 1.00 0.00 WT1 O ATOM 5105 H1 TIP3 681 55.403 69.789 41.640 1.00 0.00 WT1 H ATOM 5106 H2 TIP3 681 54.825 71.186 41.705 1.00 0.00 WT1 H ATOM 5107 OH2 TIP3 682 45.327 88.797 5.347 1.00 0.00 WT1 O ATOM 5108 H1 TIP3 682 46.189 88.502 5.642 1.00 0.00 WT1 H ATOM 5109 H2 TIP3 682 44.838 88.954 6.154 1.00 0.00 WT1 H ATOM 5110 OH2 TIP3 683 23.741 49.291 0.942 1.00 0.00 WT1 O ATOM 5111 H1 TIP3 683 23.162 49.685 0.289 1.00 0.00 WT1 H ATOM 5112 H2 TIP3 683 24.514 49.022 0.446 1.00 0.00 WT1 H ATOM 5113 OH2 TIP3 684 86.730 12.837 -1.005 1.00 0.00 WT1 O ATOM 5114 H1 TIP3 684 86.821 13.510 -1.679 1.00 0.00 WT1 H ATOM 5115 H2 TIP3 684 86.930 13.289 -0.185 1.00 0.00 WT1 H ATOM 5116 OH2 TIP3 685 85.213 76.687 52.521 1.00 0.00 WT1 O ATOM 5117 H1 TIP3 685 84.927 77.189 53.285 1.00 0.00 WT1 H ATOM 5118 H2 TIP3 685 84.595 76.929 51.831 1.00 0.00 WT1 H ATOM 5119 OH2 TIP3 686 40.125 17.937 14.657 1.00 0.00 WT1 O ATOM 5120 H1 TIP3 686 41.009 18.045 15.008 1.00 0.00 WT1 H ATOM 5121 H2 TIP3 686 40.253 17.492 13.819 1.00 0.00 WT1 H ATOM 5122 OH2 TIP3 687 27.053 37.843 1.147 1.00 0.00 WT1 O ATOM 5123 H1 TIP3 687 27.985 37.642 1.060 1.00 0.00 WT1 H ATOM 5124 H2 TIP3 687 26.997 38.788 1.006 1.00 0.00 WT1 H ATOM 5125 OH2 TIP3 689 27.699 42.901 20.254 1.00 0.00 WT1 O ATOM 5126 H1 TIP3 689 28.080 43.380 19.518 1.00 0.00 WT1 H ATOM 5127 H2 TIP3 689 26.775 43.151 20.249 1.00 0.00 WT1 H ATOM 5128 OH2 TIP3 690 63.626 19.652 -9.453 1.00 0.00 WT1 O ATOM 5129 H1 TIP3 690 63.777 20.579 -9.638 1.00 0.00 WT1 H ATOM 5130 H2 TIP3 690 64.433 19.357 -9.033 1.00 0.00 WT1 H ATOM 5131 OH2 TIP3 692 81.028 40.533 58.487 1.00 0.00 WT1 O ATOM 5132 H1 TIP3 692 80.849 41.428 58.199 1.00 0.00 WT1 H ATOM 5133 H2 TIP3 692 80.183 40.206 58.795 1.00 0.00 WT1 H ATOM 5134 OH2 TIP3 693 67.758 94.118 -3.512 1.00 0.00 WT1 O ATOM 5135 H1 TIP3 693 67.330 93.687 -4.252 1.00 0.00 WT1 H ATOM 5136 H2 TIP3 693 67.121 94.062 -2.800 1.00 0.00 WT1 H ATOM 5137 OH2 TIP3 694 58.233 59.090 45.015 1.00 0.00 WT1 O ATOM 5138 H1 TIP3 694 57.424 59.084 44.503 1.00 0.00 WT1 H ATOM 5139 H2 TIP3 694 58.103 59.784 45.661 1.00 0.00 WT1 H ATOM 5140 OH2 TIP3 695 53.514 9.541 53.975 1.00 0.00 WT1 O ATOM 5141 H1 TIP3 695 54.408 9.350 53.694 1.00 0.00 WT1 H ATOM 5142 H2 TIP3 695 52.991 9.475 53.176 1.00 0.00 WT1 H ATOM 5143 OH2 TIP3 696 57.180 55.511 -18.589 1.00 0.00 WT1 O ATOM 5144 H1 TIP3 696 56.465 56.073 -18.292 1.00 0.00 WT1 H ATOM 5145 H2 TIP3 696 56.824 54.624 -18.540 1.00 0.00 WT1 H ATOM 5146 OH2 TIP3 697 28.294 91.579 15.821 1.00 0.00 WT1 O ATOM 5147 H1 TIP3 697 28.103 90.651 15.962 1.00 0.00 WT1 H ATOM 5148 H2 TIP3 697 27.600 92.041 16.291 1.00 0.00 WT1 H ATOM 5149 OH2 TIP3 698 72.304 35.292 65.808 1.00 0.00 WT1 O ATOM 5150 H1 TIP3 698 72.459 35.500 64.887 1.00 0.00 WT1 H ATOM 5151 H2 TIP3 698 71.677 34.569 65.789 1.00 0.00 WT1 H ATOM 5152 OH2 TIP3 699 25.016 71.281 5.572 1.00 0.00 WT1 O ATOM 5153 H1 TIP3 699 25.178 70.627 4.892 1.00 0.00 WT1 H ATOM 5154 H2 TIP3 699 25.788 71.847 5.547 1.00 0.00 WT1 H ATOM 5155 OH2 TIP3 700 75.733 39.387 -14.143 1.00 0.00 WT1 O ATOM 5156 H1 TIP3 700 75.721 39.466 -13.189 1.00 0.00 WT1 H ATOM 5157 H2 TIP3 700 76.504 38.851 -14.329 1.00 0.00 WT1 H ATOM 5158 OH2 TIP3 701 67.250 56.691 35.062 1.00 0.00 WT1 O ATOM 5159 H1 TIP3 701 67.970 56.313 34.558 1.00 0.00 WT1 H ATOM 5160 H2 TIP3 701 66.544 56.802 34.424 1.00 0.00 WT1 H ATOM 5161 OH2 TIP3 702 41.704 43.638 20.540 1.00 0.00 WT1 O ATOM 5162 H1 TIP3 702 42.661 43.616 20.540 1.00 0.00 WT1 H ATOM 5163 H2 TIP3 702 41.466 43.762 21.459 1.00 0.00 WT1 H ATOM 5164 OH2 TIP3 703 54.853 21.530 10.903 1.00 0.00 WT1 O ATOM 5165 H1 TIP3 703 55.801 21.652 10.848 1.00 0.00 WT1 H ATOM 5166 H2 TIP3 703 54.542 22.294 11.390 1.00 0.00 WT1 H ATOM 5167 OH2 TIP3 704 49.644 17.438 20.612 1.00 0.00 WT1 O ATOM 5168 H1 TIP3 704 48.740 17.278 20.341 1.00 0.00 WT1 H ATOM 5169 H2 TIP3 704 49.679 18.378 20.790 1.00 0.00 WT1 H ATOM 5170 OH2 TIP3 705 44.597 40.360 31.287 1.00 0.00 WT1 O ATOM 5171 H1 TIP3 705 44.062 39.815 30.710 1.00 0.00 WT1 H ATOM 5172 H2 TIP3 705 45.202 40.810 30.698 1.00 0.00 WT1 H ATOM 5173 OH2 TIP3 706 44.464 19.648 -18.136 1.00 0.00 WT1 O ATOM 5174 H1 TIP3 706 43.987 19.476 -18.948 1.00 0.00 WT1 H ATOM 5175 H2 TIP3 706 44.413 20.597 -18.024 1.00 0.00 WT1 H ATOM 5176 OH2 TIP3 707 81.589 76.799 -6.050 1.00 0.00 WT1 O ATOM 5177 H1 TIP3 707 82.312 76.390 -5.575 1.00 0.00 WT1 H ATOM 5178 H2 TIP3 707 81.456 77.638 -5.609 1.00 0.00 WT1 H ATOM 5179 OH2 TIP3 708 63.464 62.641 -1.897 1.00 0.00 WT1 O ATOM 5180 H1 TIP3 708 63.688 62.770 -0.976 1.00 0.00 WT1 H ATOM 5181 H2 TIP3 708 63.609 61.707 -2.051 1.00 0.00 WT1 H ATOM 5182 OH2 TIP3 709 45.397 92.998 0.729 1.00 0.00 WT1 O ATOM 5183 H1 TIP3 709 44.738 93.464 0.216 1.00 0.00 WT1 H ATOM 5184 H2 TIP3 709 46.157 93.580 0.731 1.00 0.00 WT1 H ATOM 5185 OH2 TIP3 710 63.742 23.568 -6.129 1.00 0.00 WT1 O ATOM 5186 H1 TIP3 710 63.917 23.877 -5.240 1.00 0.00 WT1 H ATOM 5187 H2 TIP3 710 64.405 22.895 -6.284 1.00 0.00 WT1 H ATOM 5188 OH2 TIP3 711 84.955 30.989 1.397 1.00 0.00 WT1 O ATOM 5189 H1 TIP3 711 84.506 31.128 2.231 1.00 0.00 WT1 H ATOM 5190 H2 TIP3 711 84.758 31.772 0.884 1.00 0.00 WT1 H ATOM 5191 OH2 TIP3 712 71.740 39.902 52.529 1.00 0.00 WT1 O ATOM 5192 H1 TIP3 712 71.663 39.205 51.878 1.00 0.00 WT1 H ATOM 5193 H2 TIP3 712 70.847 40.033 52.848 1.00 0.00 WT1 H ATOM 5194 OH2 TIP3 713 64.168 17.220 19.100 1.00 0.00 WT1 O ATOM 5195 H1 TIP3 713 64.907 17.049 19.684 1.00 0.00 WT1 H ATOM 5196 H2 TIP3 713 63.996 18.157 19.200 1.00 0.00 WT1 H ATOM 5197 OH2 TIP3 714 54.664 49.829 46.612 1.00 0.00 WT1 O ATOM 5198 H1 TIP3 714 55.282 49.210 47.001 1.00 0.00 WT1 H ATOM 5199 H2 TIP3 714 54.828 50.652 47.073 1.00 0.00 WT1 H ATOM 5200 OH2 TIP3 715 68.077 45.198 35.127 1.00 0.00 WT1 O ATOM 5201 H1 TIP3 715 68.861 45.704 34.910 1.00 0.00 WT1 H ATOM 5202 H2 TIP3 715 67.576 45.170 34.312 1.00 0.00 WT1 H ATOM 5203 OH2 TIP3 716 75.658 7.417 59.371 1.00 0.00 WT1 O ATOM 5204 H1 TIP3 716 76.031 6.558 59.174 1.00 0.00 WT1 H ATOM 5205 H2 TIP3 716 75.493 7.809 58.513 1.00 0.00 WT1 H ATOM 5206 OH2 TIP3 717 48.842 44.383 40.036 1.00 0.00 WT1 O ATOM 5207 H1 TIP3 717 48.569 43.490 40.250 1.00 0.00 WT1 H ATOM 5208 H2 TIP3 717 48.657 44.472 39.101 1.00 0.00 WT1 H ATOM 5209 OH2 TIP3 718 55.618 28.653 31.859 1.00 0.00 WT1 O ATOM 5210 H1 TIP3 718 56.333 29.046 32.361 1.00 0.00 WT1 H ATOM 5211 H2 TIP3 718 55.413 27.844 32.327 1.00 0.00 WT1 H ATOM 5212 OH2 TIP3 719 73.455 89.373 51.008 1.00 0.00 WT1 O ATOM 5213 H1 TIP3 719 73.082 88.498 50.903 1.00 0.00 WT1 H ATOM 5214 H2 TIP3 719 74.172 89.406 50.374 1.00 0.00 WT1 H ATOM 5215 OH2 TIP3 720 32.763 91.541 23.794 1.00 0.00 WT1 O ATOM 5216 H1 TIP3 720 33.688 91.334 23.657 1.00 0.00 WT1 H ATOM 5217 H2 TIP3 720 32.746 92.032 24.615 1.00 0.00 WT1 H ATOM 5218 OH2 TIP3 721 62.445 12.483 12.833 1.00 0.00 WT1 O ATOM 5219 H1 TIP3 721 63.139 11.825 12.801 1.00 0.00 WT1 H ATOM 5220 H2 TIP3 721 61.635 11.976 12.884 1.00 0.00 WT1 H ATOM 5221 OH2 TIP3 722 65.978 34.991 -11.847 1.00 0.00 WT1 O ATOM 5222 H1 TIP3 722 66.564 35.309 -12.534 1.00 0.00 WT1 H ATOM 5223 H2 TIP3 722 65.158 35.463 -11.993 1.00 0.00 WT1 H ATOM 5224 OH2 TIP3 723 75.658 33.989 4.335 1.00 0.00 WT1 O ATOM 5225 H1 TIP3 723 75.509 33.215 3.791 1.00 0.00 WT1 H ATOM 5226 H2 TIP3 723 75.577 33.669 5.234 1.00 0.00 WT1 H ATOM 5227 OH2 TIP3 724 41.671 34.562 11.425 1.00 0.00 WT1 O ATOM 5228 H1 TIP3 724 41.358 35.071 12.172 1.00 0.00 WT1 H ATOM 5229 H2 TIP3 724 42.503 34.972 11.187 1.00 0.00 WT1 H ATOM 5230 OH2 TIP3 725 85.443 94.088 0.008 1.00 0.00 WT1 O ATOM 5231 H1 TIP3 725 85.553 94.222 -0.933 1.00 0.00 WT1 H ATOM 5232 H2 TIP3 725 84.667 93.533 0.083 1.00 0.00 WT1 H ATOM 5233 OH2 TIP3 726 35.699 64.668 20.679 1.00 0.00 WT1 O ATOM 5234 H1 TIP3 726 36.136 65.504 20.846 1.00 0.00 WT1 H ATOM 5235 H2 TIP3 726 35.989 64.417 19.802 1.00 0.00 WT1 H ATOM 5236 OH2 TIP3 728 38.711 82.026 57.814 1.00 0.00 WT1 O ATOM 5237 H1 TIP3 728 38.250 82.450 57.090 1.00 0.00 WT1 H ATOM 5238 H2 TIP3 728 39.406 81.520 57.392 1.00 0.00 WT1 H ATOM 5239 OH2 TIP3 729 48.887 23.083 38.147 1.00 0.00 WT1 O ATOM 5240 H1 TIP3 729 49.496 23.717 37.768 1.00 0.00 WT1 H ATOM 5241 H2 TIP3 729 48.019 23.431 37.939 1.00 0.00 WT1 H ATOM 5242 OH2 TIP3 730 53.992 87.621 57.481 1.00 0.00 WT1 O ATOM 5243 H1 TIP3 730 53.703 88.445 57.088 1.00 0.00 WT1 H ATOM 5244 H2 TIP3 730 53.297 87.393 58.099 1.00 0.00 WT1 H ATOM 5245 OH2 TIP3 731 85.179 28.785 65.213 1.00 0.00 WT1 O ATOM 5246 H1 TIP3 731 84.307 29.148 65.365 1.00 0.00 WT1 H ATOM 5247 H2 TIP3 731 85.779 29.493 65.448 1.00 0.00 WT1 H ATOM 5248 OH2 TIP3 732 27.628 45.403 -10.392 1.00 0.00 WT1 O ATOM 5249 H1 TIP3 732 27.567 45.041 -9.508 1.00 0.00 WT1 H ATOM 5250 H2 TIP3 732 27.170 46.242 -10.339 1.00 0.00 WT1 H ATOM 5251 OH2 TIP3 733 83.432 50.512 -13.966 1.00 0.00 WT1 O ATOM 5252 H1 TIP3 733 84.364 50.442 -13.763 1.00 0.00 WT1 H ATOM 5253 H2 TIP3 733 83.116 49.608 -13.962 1.00 0.00 WT1 H ATOM 5254 OH2 TIP3 734 36.746 46.779 -7.874 1.00 0.00 WT1 O ATOM 5255 H1 TIP3 734 35.867 46.820 -8.250 1.00 0.00 WT1 H ATOM 5256 H2 TIP3 734 37.296 47.260 -8.492 1.00 0.00 WT1 H ATOM 5257 OH2 TIP3 735 22.390 37.878 43.518 1.00 0.00 WT1 O ATOM 5258 H1 TIP3 735 21.904 38.261 44.249 1.00 0.00 WT1 H ATOM 5259 H2 TIP3 735 22.039 36.991 43.436 1.00 0.00 WT1 H ATOM 5260 OH2 TIP3 736 72.538 35.955 24.951 1.00 0.00 WT1 O ATOM 5261 H1 TIP3 736 72.628 36.369 24.093 1.00 0.00 WT1 H ATOM 5262 H2 TIP3 736 73.131 36.447 25.518 1.00 0.00 WT1 H ATOM 5263 OH2 TIP3 737 83.577 56.903 18.566 1.00 0.00 WT1 O ATOM 5264 H1 TIP3 737 83.717 57.689 19.094 1.00 0.00 WT1 H ATOM 5265 H2 TIP3 737 83.273 56.244 19.191 1.00 0.00 WT1 H ATOM 5266 OH2 TIP3 738 76.517 72.980 33.057 1.00 0.00 WT1 O ATOM 5267 H1 TIP3 738 76.206 73.800 32.673 1.00 0.00 WT1 H ATOM 5268 H2 TIP3 738 75.908 72.316 32.731 1.00 0.00 WT1 H ATOM 5269 OH2 TIP3 739 26.468 24.871 40.483 1.00 0.00 WT1 O ATOM 5270 H1 TIP3 739 26.111 25.750 40.610 1.00 0.00 WT1 H ATOM 5271 H2 TIP3 739 26.153 24.374 41.237 1.00 0.00 WT1 H ATOM 5272 OH2 TIP3 740 68.409 41.060 10.722 1.00 0.00 WT1 O ATOM 5273 H1 TIP3 740 68.378 40.378 11.393 1.00 0.00 WT1 H ATOM 5274 H2 TIP3 740 67.873 41.770 11.077 1.00 0.00 WT1 H ATOM 5275 OH2 TIP3 741 55.348 56.476 13.735 1.00 0.00 WT1 O ATOM 5276 H1 TIP3 741 55.301 56.777 14.642 1.00 0.00 WT1 H ATOM 5277 H2 TIP3 741 55.173 57.258 13.213 1.00 0.00 WT1 H ATOM 5278 OH2 TIP3 742 65.071 69.533 23.767 1.00 0.00 WT1 O ATOM 5279 H1 TIP3 742 64.359 68.909 23.911 1.00 0.00 WT1 H ATOM 5280 H2 TIP3 742 64.658 70.392 23.852 1.00 0.00 WT1 H ATOM 5281 OH2 TIP3 743 27.496 93.337 3.467 1.00 0.00 WT1 O ATOM 5282 H1 TIP3 743 27.811 94.135 3.893 1.00 0.00 WT1 H ATOM 5283 H2 TIP3 743 27.553 92.665 4.146 1.00 0.00 WT1 H ATOM 5284 OH2 TIP3 744 81.137 49.476 -5.939 1.00 0.00 WT1 O ATOM 5285 H1 TIP3 744 80.451 49.875 -5.403 1.00 0.00 WT1 H ATOM 5286 H2 TIP3 744 81.904 50.031 -5.798 1.00 0.00 WT1 H ATOM 5287 OH2 TIP3 745 70.667 29.468 62.917 1.00 0.00 WT1 O ATOM 5288 H1 TIP3 745 70.928 29.824 62.068 1.00 0.00 WT1 H ATOM 5289 H2 TIP3 745 69.787 29.816 63.064 1.00 0.00 WT1 H ATOM 5290 OH2 TIP3 746 74.859 8.166 -15.199 1.00 0.00 WT1 O ATOM 5291 H1 TIP3 746 74.204 8.352 -15.872 1.00 0.00 WT1 H ATOM 5292 H2 TIP3 746 74.515 7.404 -14.733 1.00 0.00 WT1 H ATOM 5293 OH2 TIP3 747 57.044 77.862 55.312 1.00 0.00 WT1 O ATOM 5294 H1 TIP3 747 56.697 77.113 54.827 1.00 0.00 WT1 H ATOM 5295 H2 TIP3 747 56.461 78.586 55.084 1.00 0.00 WT1 H ATOM 5296 OH2 TIP3 748 87.332 22.806 60.637 1.00 0.00 WT1 O ATOM 5297 H1 TIP3 748 86.864 23.612 60.417 1.00 0.00 WT1 H ATOM 5298 H2 TIP3 748 88.030 22.748 59.985 1.00 0.00 WT1 H ATOM 5299 OH2 TIP3 749 45.337 62.491 12.030 1.00 0.00 WT1 O ATOM 5300 H1 TIP3 749 46.198 62.362 12.426 1.00 0.00 WT1 H ATOM 5301 H2 TIP3 749 45.377 63.367 11.646 1.00 0.00 WT1 H ATOM 5302 OH2 TIP3 750 21.186 64.324 -5.157 1.00 0.00 WT1 O ATOM 5303 H1 TIP3 750 20.946 64.078 -6.051 1.00 0.00 WT1 H ATOM 5304 H2 TIP3 750 21.194 65.281 -5.165 1.00 0.00 WT1 H ATOM 5305 OH2 TIP3 751 51.389 53.804 1.922 1.00 0.00 WT1 O ATOM 5306 H1 TIP3 751 51.798 54.529 2.395 1.00 0.00 WT1 H ATOM 5307 H2 TIP3 751 51.164 53.170 2.603 1.00 0.00 WT1 H ATOM 5308 OH2 TIP3 752 50.251 65.266 18.266 1.00 0.00 WT1 O ATOM 5309 H1 TIP3 752 49.671 66.007 18.091 1.00 0.00 WT1 H ATOM 5310 H2 TIP3 752 51.117 65.571 17.998 1.00 0.00 WT1 H ATOM 5311 OH2 TIP3 753 87.012 51.137 27.527 1.00 0.00 WT1 O ATOM 5312 H1 TIP3 753 86.215 50.779 27.135 1.00 0.00 WT1 H ATOM 5313 H2 TIP3 753 87.294 51.818 26.917 1.00 0.00 WT1 H ATOM 5314 OH2 TIP3 754 39.243 31.089 26.667 1.00 0.00 WT1 O ATOM 5315 H1 TIP3 754 38.792 31.389 25.878 1.00 0.00 WT1 H ATOM 5316 H2 TIP3 754 39.163 31.819 27.281 1.00 0.00 WT1 H ATOM 5317 OH2 TIP3 755 48.565 54.438 40.138 1.00 0.00 WT1 O ATOM 5318 H1 TIP3 755 48.585 55.333 39.800 1.00 0.00 WT1 H ATOM 5319 H2 TIP3 755 48.492 54.541 41.087 1.00 0.00 WT1 H ATOM 5320 OH2 TIP3 756 66.551 87.713 24.450 1.00 0.00 WT1 O ATOM 5321 H1 TIP3 756 67.164 88.054 25.101 1.00 0.00 WT1 H ATOM 5322 H2 TIP3 756 66.741 88.214 23.656 1.00 0.00 WT1 H ATOM 5323 OH2 TIP3 757 42.656 53.158 -3.466 1.00 0.00 WT1 O ATOM 5324 H1 TIP3 757 43.455 52.853 -3.898 1.00 0.00 WT1 H ATOM 5325 H2 TIP3 757 41.967 52.590 -3.810 1.00 0.00 WT1 H ATOM 5326 OH2 TIP3 758 82.513 18.911 63.530 1.00 0.00 WT1 O ATOM 5327 H1 TIP3 758 83.375 19.167 63.201 1.00 0.00 WT1 H ATOM 5328 H2 TIP3 758 82.502 17.957 63.455 1.00 0.00 WT1 H ATOM 5329 OH2 TIP3 759 78.359 59.866 55.770 1.00 0.00 WT1 O ATOM 5330 H1 TIP3 759 77.551 59.756 55.268 1.00 0.00 WT1 H ATOM 5331 H2 TIP3 759 78.891 59.105 55.538 1.00 0.00 WT1 H ATOM 5332 OH2 TIP3 760 52.478 49.996 63.082 1.00 0.00 WT1 O ATOM 5333 H1 TIP3 760 51.961 50.409 62.390 1.00 0.00 WT1 H ATOM 5334 H2 TIP3 760 52.252 49.068 63.029 1.00 0.00 WT1 H ATOM 5335 OH2 TIP3 761 32.844 39.096 11.014 1.00 0.00 WT1 O ATOM 5336 H1 TIP3 761 32.538 39.925 10.645 1.00 0.00 WT1 H ATOM 5337 H2 TIP3 761 33.739 39.003 10.687 1.00 0.00 WT1 H ATOM 5338 OH2 TIP3 762 73.315 2.352 66.110 1.00 0.00 WT1 O ATOM 5339 H1 TIP3 762 73.672 3.109 65.644 1.00 0.00 WT1 H ATOM 5340 H2 TIP3 762 72.661 2.722 66.703 1.00 0.00 WT1 H ATOM 5341 OH2 TIP3 763 27.846 87.537 -6.268 1.00 0.00 WT1 O ATOM 5342 H1 TIP3 763 28.368 87.745 -7.044 1.00 0.00 WT1 H ATOM 5343 H2 TIP3 763 28.259 86.755 -5.904 1.00 0.00 WT1 H ATOM 5344 OH2 TIP3 764 77.450 59.976 11.844 1.00 0.00 WT1 O ATOM 5345 H1 TIP3 764 78.085 59.965 12.560 1.00 0.00 WT1 H ATOM 5346 H2 TIP3 764 76.874 59.233 12.023 1.00 0.00 WT1 H ATOM 5347 OH2 TIP3 765 26.730 29.899 -0.008 1.00 0.00 WT1 O ATOM 5348 H1 TIP3 765 27.320 30.433 -0.539 1.00 0.00 WT1 H ATOM 5349 H2 TIP3 765 26.514 30.453 0.742 1.00 0.00 WT1 H ATOM 5350 OH2 TIP3 766 39.211 4.264 6.358 1.00 0.00 WT1 O ATOM 5351 H1 TIP3 766 38.951 5.174 6.501 1.00 0.00 WT1 H ATOM 5352 H2 TIP3 766 40.168 4.287 6.343 1.00 0.00 WT1 H ATOM 5353 OH2 TIP3 767 23.242 37.871 -4.443 1.00 0.00 WT1 O ATOM 5354 H1 TIP3 767 23.763 37.819 -5.244 1.00 0.00 WT1 H ATOM 5355 H2 TIP3 767 23.886 37.980 -3.743 1.00 0.00 WT1 H ATOM 5356 OH2 TIP3 768 45.062 81.612 22.348 1.00 0.00 WT1 O ATOM 5357 H1 TIP3 768 44.157 81.681 22.654 1.00 0.00 WT1 H ATOM 5358 H2 TIP3 768 45.405 80.835 22.789 1.00 0.00 WT1 H ATOM 5359 OH2 TIP3 769 71.635 45.780 66.615 1.00 0.00 WT1 O ATOM 5360 H1 TIP3 769 72.123 45.213 67.212 1.00 0.00 WT1 H ATOM 5361 H2 TIP3 769 71.162 46.383 67.189 1.00 0.00 WT1 H ATOM 5362 OH2 TIP3 770 63.452 34.336 -7.007 1.00 0.00 WT1 O ATOM 5363 H1 TIP3 770 64.106 35.017 -7.162 1.00 0.00 WT1 H ATOM 5364 H2 TIP3 770 63.695 33.958 -6.162 1.00 0.00 WT1 H ATOM 5365 OH2 TIP3 771 85.069 38.939 20.756 1.00 0.00 WT1 O ATOM 5366 H1 TIP3 771 84.834 39.866 20.806 1.00 0.00 WT1 H ATOM 5367 H2 TIP3 771 84.258 38.474 20.959 1.00 0.00 WT1 H ATOM 5368 OH2 TIP3 772 44.534 41.432 45.209 1.00 0.00 WT1 O ATOM 5369 H1 TIP3 772 45.483 41.546 45.264 1.00 0.00 WT1 H ATOM 5370 H2 TIP3 772 44.218 42.245 44.814 1.00 0.00 WT1 H ATOM 5371 OH2 TIP3 773 79.792 61.422 45.791 1.00 0.00 WT1 O ATOM 5372 H1 TIP3 773 79.581 61.471 46.723 1.00 0.00 WT1 H ATOM 5373 H2 TIP3 773 80.696 61.107 45.766 1.00 0.00 WT1 H ATOM 5374 OH2 TIP3 774 40.428 63.518 -11.490 1.00 0.00 WT1 O ATOM 5375 H1 TIP3 774 39.782 63.320 -10.813 1.00 0.00 WT1 H ATOM 5376 H2 TIP3 774 41.186 63.853 -11.009 1.00 0.00 WT1 H ATOM 5377 OH2 TIP3 775 73.552 19.598 9.729 1.00 0.00 WT1 O ATOM 5378 H1 TIP3 775 72.665 19.940 9.838 1.00 0.00 WT1 H ATOM 5379 H2 TIP3 775 73.907 19.564 10.617 1.00 0.00 WT1 H ATOM 5380 OH2 TIP3 776 52.136 47.946 -2.913 1.00 0.00 WT1 O ATOM 5381 H1 TIP3 776 51.717 48.590 -2.342 1.00 0.00 WT1 H ATOM 5382 H2 TIP3 776 52.030 47.113 -2.454 1.00 0.00 WT1 H ATOM 5383 OH2 TIP3 777 57.525 92.102 31.375 1.00 0.00 WT1 O ATOM 5384 H1 TIP3 777 58.196 92.722 31.661 1.00 0.00 WT1 H ATOM 5385 H2 TIP3 777 56.714 92.610 31.372 1.00 0.00 WT1 H ATOM 5386 OH2 TIP3 778 78.989 7.282 40.252 1.00 0.00 WT1 O ATOM 5387 H1 TIP3 778 79.101 7.282 39.302 1.00 0.00 WT1 H ATOM 5388 H2 TIP3 778 79.177 8.183 40.516 1.00 0.00 WT1 H ATOM 5389 OH2 TIP3 780 66.201 28.699 -17.667 1.00 0.00 WT1 O ATOM 5390 H1 TIP3 780 66.601 29.059 -18.458 1.00 0.00 WT1 H ATOM 5391 H2 TIP3 780 66.651 29.141 -16.947 1.00 0.00 WT1 H ATOM 5392 OH2 TIP3 781 55.873 69.114 10.242 1.00 0.00 WT1 O ATOM 5393 H1 TIP3 781 56.447 69.778 10.622 1.00 0.00 WT1 H ATOM 5394 H2 TIP3 781 55.668 68.528 10.971 1.00 0.00 WT1 H ATOM 5395 OH2 TIP3 782 70.329 23.169 22.108 1.00 0.00 WT1 O ATOM 5396 H1 TIP3 782 70.786 22.657 21.441 1.00 0.00 WT1 H ATOM 5397 H2 TIP3 782 70.304 24.058 21.753 1.00 0.00 WT1 H ATOM 5398 OH2 TIP3 783 56.636 64.264 -16.058 1.00 0.00 WT1 O ATOM 5399 H1 TIP3 783 56.243 63.687 -16.713 1.00 0.00 WT1 H ATOM 5400 H2 TIP3 783 56.429 63.852 -15.220 1.00 0.00 WT1 H ATOM 5401 OH2 TIP3 784 70.034 52.753 19.835 1.00 0.00 WT1 O ATOM 5402 H1 TIP3 784 69.283 53.044 19.318 1.00 0.00 WT1 H ATOM 5403 H2 TIP3 784 70.793 52.948 19.286 1.00 0.00 WT1 H ATOM 5404 OH2 TIP3 785 34.408 80.840 -8.565 1.00 0.00 WT1 O ATOM 5405 H1 TIP3 785 34.439 80.010 -8.089 1.00 0.00 WT1 H ATOM 5406 H2 TIP3 785 34.291 81.503 -7.885 1.00 0.00 WT1 H ATOM 5407 OH2 TIP3 786 53.523 91.568 37.191 1.00 0.00 WT1 O ATOM 5408 H1 TIP3 786 53.812 90.685 37.418 1.00 0.00 WT1 H ATOM 5409 H2 TIP3 786 52.587 91.573 37.390 1.00 0.00 WT1 H ATOM 5410 OH2 TIP3 787 20.504 30.771 13.289 1.00 0.00 WT1 O ATOM 5411 H1 TIP3 787 20.828 31.319 12.574 1.00 0.00 WT1 H ATOM 5412 H2 TIP3 787 21.131 30.050 13.342 1.00 0.00 WT1 H ATOM 5413 OH2 TIP3 788 76.501 56.427 -0.968 1.00 0.00 WT1 O ATOM 5414 H1 TIP3 788 75.613 56.269 -0.647 1.00 0.00 WT1 H ATOM 5415 H2 TIP3 788 77.070 56.112 -0.265 1.00 0.00 WT1 H ATOM 5416 OH2 TIP3 789 69.341 49.276 4.537 1.00 0.00 WT1 O ATOM 5417 H1 TIP3 789 68.898 49.243 5.385 1.00 0.00 WT1 H ATOM 5418 H2 TIP3 789 69.596 50.193 4.435 1.00 0.00 WT1 H ATOM 5419 OH2 TIP3 790 76.694 27.351 34.672 1.00 0.00 WT1 O ATOM 5420 H1 TIP3 790 76.936 26.431 34.779 1.00 0.00 WT1 H ATOM 5421 H2 TIP3 790 76.242 27.383 33.829 1.00 0.00 WT1 H ATOM 5422 OH2 TIP3 791 71.150 57.638 34.803 1.00 0.00 WT1 O ATOM 5423 H1 TIP3 791 70.849 56.729 34.830 1.00 0.00 WT1 H ATOM 5424 H2 TIP3 791 70.504 58.120 35.318 1.00 0.00 WT1 H ATOM 5425 OH2 TIP3 792 82.719 71.956 22.344 1.00 0.00 WT1 O ATOM 5426 H1 TIP3 792 83.274 71.249 22.013 1.00 0.00 WT1 H ATOM 5427 H2 TIP3 792 82.417 71.645 23.197 1.00 0.00 WT1 H ATOM 5428 OH2 TIP3 793 61.355 20.605 44.909 1.00 0.00 WT1 O ATOM 5429 H1 TIP3 793 61.578 20.908 44.029 1.00 0.00 WT1 H ATOM 5430 H2 TIP3 793 60.969 21.371 45.335 1.00 0.00 WT1 H ATOM 5431 OH2 TIP3 794 51.802 22.865 -0.461 1.00 0.00 WT1 O ATOM 5432 H1 TIP3 794 51.330 22.331 0.178 1.00 0.00 WT1 H ATOM 5433 H2 TIP3 794 51.254 23.641 -0.577 1.00 0.00 WT1 H ATOM 5434 OH2 TIP3 795 34.051 28.239 38.862 1.00 0.00 WT1 O ATOM 5435 H1 TIP3 795 34.418 27.416 39.184 1.00 0.00 WT1 H ATOM 5436 H2 TIP3 795 33.362 28.456 39.490 1.00 0.00 WT1 H ATOM 5437 OH2 TIP3 796 76.914 40.816 43.588 1.00 0.00 WT1 O ATOM 5438 H1 TIP3 796 76.110 40.556 43.139 1.00 0.00 WT1 H ATOM 5439 H2 TIP3 796 76.834 41.764 43.696 1.00 0.00 WT1 H ATOM 5440 OH2 TIP3 797 40.135 81.643 5.811 1.00 0.00 WT1 O ATOM 5441 H1 TIP3 797 39.380 81.835 5.255 1.00 0.00 WT1 H ATOM 5442 H2 TIP3 797 40.714 82.396 5.697 1.00 0.00 WT1 H ATOM 5443 OH2 TIP3 798 67.722 24.330 38.474 1.00 0.00 WT1 O ATOM 5444 H1 TIP3 798 67.858 23.572 37.906 1.00 0.00 WT1 H ATOM 5445 H2 TIP3 798 68.485 24.337 39.052 1.00 0.00 WT1 H ATOM 5446 OH2 TIP3 800 42.563 61.386 54.723 1.00 0.00 WT1 O ATOM 5447 H1 TIP3 800 43.065 61.383 53.908 1.00 0.00 WT1 H ATOM 5448 H2 TIP3 800 41.667 61.586 54.452 1.00 0.00 WT1 H ATOM 5449 OH2 TIP3 801 22.167 43.837 8.243 1.00 0.00 WT1 O ATOM 5450 H1 TIP3 801 21.830 44.594 8.723 1.00 0.00 WT1 H ATOM 5451 H2 TIP3 801 23.117 43.898 8.336 1.00 0.00 WT1 H ATOM 5452 OH2 TIP3 802 50.112 88.798 52.220 1.00 0.00 WT1 O ATOM 5453 H1 TIP3 802 49.735 88.806 51.340 1.00 0.00 WT1 H ATOM 5454 H2 TIP3 802 49.615 88.127 52.688 1.00 0.00 WT1 H ATOM 5455 OH2 TIP3 803 41.835 66.810 -16.264 1.00 0.00 WT1 O ATOM 5456 H1 TIP3 803 42.112 67.479 -16.890 1.00 0.00 WT1 H ATOM 5457 H2 TIP3 803 41.049 66.427 -16.653 1.00 0.00 WT1 H ATOM 5458 OH2 TIP3 804 85.789 39.635 4.287 1.00 0.00 WT1 O ATOM 5459 H1 TIP3 804 85.559 40.564 4.296 1.00 0.00 WT1 H ATOM 5460 H2 TIP3 804 86.649 39.605 3.868 1.00 0.00 WT1 H ATOM 5461 OH2 TIP3 805 21.372 6.657 35.457 1.00 0.00 WT1 O ATOM 5462 H1 TIP3 805 21.715 5.764 35.493 1.00 0.00 WT1 H ATOM 5463 H2 TIP3 805 22.121 7.191 35.193 1.00 0.00 WT1 H ATOM 5464 OH2 TIP3 806 80.094 24.716 55.921 1.00 0.00 WT1 O ATOM 5465 H1 TIP3 806 79.853 24.259 55.116 1.00 0.00 WT1 H ATOM 5466 H2 TIP3 806 81.003 24.981 55.784 1.00 0.00 WT1 H ATOM 5467 OH2 TIP3 807 54.559 39.983 2.163 1.00 0.00 WT1 O ATOM 5468 H1 TIP3 807 54.710 39.550 3.003 1.00 0.00 WT1 H ATOM 5469 H2 TIP3 807 54.008 39.372 1.674 1.00 0.00 WT1 H ATOM 5470 OH2 TIP3 808 87.173 8.407 5.813 1.00 0.00 WT1 O ATOM 5471 H1 TIP3 808 86.505 8.595 5.154 1.00 0.00 WT1 H ATOM 5472 H2 TIP3 808 87.595 9.251 5.974 1.00 0.00 WT1 H ATOM 5473 OH2 TIP3 809 82.439 65.715 -0.662 1.00 0.00 WT1 O ATOM 5474 H1 TIP3 809 83.169 65.385 -1.187 1.00 0.00 WT1 H ATOM 5475 H2 TIP3 809 81.741 65.876 -1.296 1.00 0.00 WT1 H ATOM 5476 OH2 TIP3 810 52.627 32.061 11.760 1.00 0.00 WT1 O ATOM 5477 H1 TIP3 810 51.930 31.694 11.216 1.00 0.00 WT1 H ATOM 5478 H2 TIP3 810 52.874 31.347 12.348 1.00 0.00 WT1 H ATOM 5479 OH2 TIP3 812 82.644 51.935 -6.737 1.00 0.00 WT1 O ATOM 5480 H1 TIP3 812 83.074 52.595 -6.193 1.00 0.00 WT1 H ATOM 5481 H2 TIP3 812 83.364 51.436 -7.123 1.00 0.00 WT1 H ATOM 5482 OH2 TIP3 813 40.920 33.911 49.519 1.00 0.00 WT1 O ATOM 5483 H1 TIP3 813 40.510 34.651 49.073 1.00 0.00 WT1 H ATOM 5484 H2 TIP3 813 41.812 33.886 49.171 1.00 0.00 WT1 H ATOM 5485 OH2 TIP3 814 27.933 20.744 20.857 1.00 0.00 WT1 O ATOM 5486 H1 TIP3 814 28.404 21.577 20.834 1.00 0.00 WT1 H ATOM 5487 H2 TIP3 814 28.211 20.288 20.062 1.00 0.00 WT1 H ATOM 5488 OH2 TIP3 815 72.974 58.562 53.574 1.00 0.00 WT1 O ATOM 5489 H1 TIP3 815 73.076 59.335 53.018 1.00 0.00 WT1 H ATOM 5490 H2 TIP3 815 72.394 58.847 54.279 1.00 0.00 WT1 H ATOM 5491 OH2 TIP3 816 43.701 31.011 -2.781 1.00 0.00 WT1 O ATOM 5492 H1 TIP3 816 44.361 31.320 -2.161 1.00 0.00 WT1 H ATOM 5493 H2 TIP3 816 44.198 30.773 -3.563 1.00 0.00 WT1 H ATOM 5494 OH2 TIP3 817 36.610 0.177 63.510 1.00 0.00 WT1 O ATOM 5495 H1 TIP3 817 37.099 0.155 64.333 1.00 0.00 WT1 H ATOM 5496 H2 TIP3 817 37.283 0.128 62.830 1.00 0.00 WT1 H ATOM 5497 OH2 TIP3 818 34.989 63.122 46.473 1.00 0.00 WT1 O ATOM 5498 H1 TIP3 818 35.561 63.883 46.374 1.00 0.00 WT1 H ATOM 5499 H2 TIP3 818 34.526 63.059 45.638 1.00 0.00 WT1 H ATOM 5500 OH2 TIP3 819 87.366 60.952 14.140 1.00 0.00 WT1 O ATOM 5501 H1 TIP3 819 87.659 60.097 13.823 1.00 0.00 WT1 H ATOM 5502 H2 TIP3 819 87.565 61.555 13.424 1.00 0.00 WT1 H ATOM 5503 OH2 TIP3 820 25.612 41.533 -12.819 1.00 0.00 WT1 O ATOM 5504 H1 TIP3 820 25.697 42.435 -12.510 1.00 0.00 WT1 H ATOM 5505 H2 TIP3 820 25.681 41.000 -12.026 1.00 0.00 WT1 H ATOM 5506 OH2 TIP3 821 72.461 1.233 29.647 1.00 0.00 WT1 O ATOM 5507 H1 TIP3 821 72.565 1.209 30.599 1.00 0.00 WT1 H ATOM 5508 H2 TIP3 821 73.017 0.522 29.328 1.00 0.00 WT1 H ATOM 5509 OH2 TIP3 822 72.384 80.797 -9.929 1.00 0.00 WT1 O ATOM 5510 H1 TIP3 822 72.690 81.249 -9.142 1.00 0.00 WT1 H ATOM 5511 H2 TIP3 822 71.789 80.122 -9.602 1.00 0.00 WT1 H ATOM 5512 OH2 TIP3 823 29.298 61.646 31.041 1.00 0.00 WT1 O ATOM 5513 H1 TIP3 823 29.681 61.124 30.336 1.00 0.00 WT1 H ATOM 5514 H2 TIP3 823 30.051 62.009 31.506 1.00 0.00 WT1 H ATOM 5515 OH2 TIP3 824 40.036 85.161 9.661 1.00 0.00 WT1 O ATOM 5516 H1 TIP3 824 40.058 84.205 9.655 1.00 0.00 WT1 H ATOM 5517 H2 TIP3 824 39.607 85.397 8.839 1.00 0.00 WT1 H ATOM 5518 OH2 TIP3 825 29.874 26.065 58.164 1.00 0.00 WT1 O ATOM 5519 H1 TIP3 825 30.688 26.142 57.665 1.00 0.00 WT1 H ATOM 5520 H2 TIP3 825 29.245 25.698 57.544 1.00 0.00 WT1 H ATOM 5521 OH2 TIP3 826 45.627 48.822 9.834 1.00 0.00 WT1 O ATOM 5522 H1 TIP3 826 46.176 48.742 10.614 1.00 0.00 WT1 H ATOM 5523 H2 TIP3 826 46.098 49.435 9.270 1.00 0.00 WT1 H ATOM 5524 OH2 TIP3 827 65.467 32.052 -0.950 1.00 0.00 WT1 O ATOM 5525 H1 TIP3 827 64.627 32.493 -1.077 1.00 0.00 WT1 H ATOM 5526 H2 TIP3 827 65.671 32.186 -0.025 1.00 0.00 WT1 H ATOM 5527 OH2 TIP3 828 61.291 91.331 19.828 1.00 0.00 WT1 O ATOM 5528 H1 TIP3 828 61.379 90.493 19.375 1.00 0.00 WT1 H ATOM 5529 H2 TIP3 828 60.681 91.833 19.288 1.00 0.00 WT1 H ATOM 5530 OH2 TIP3 829 48.200 31.859 1.583 1.00 0.00 WT1 O ATOM 5531 H1 TIP3 829 47.603 31.842 2.331 1.00 0.00 WT1 H ATOM 5532 H2 TIP3 829 48.315 30.938 1.347 1.00 0.00 WT1 H ATOM 5533 OH2 TIP3 830 55.410 44.676 -1.179 1.00 0.00 WT1 O ATOM 5534 H1 TIP3 830 54.490 44.490 -0.993 1.00 0.00 WT1 H ATOM 5535 H2 TIP3 830 55.844 44.619 -0.328 1.00 0.00 WT1 H ATOM 5536 OH2 TIP3 831 61.410 0.843 28.391 1.00 0.00 WT1 O ATOM 5537 H1 TIP3 831 60.719 1.365 27.985 1.00 0.00 WT1 H ATOM 5538 H2 TIP3 831 61.781 1.415 29.063 1.00 0.00 WT1 H ATOM 5539 OH2 TIP3 832 60.172 43.747 -3.726 1.00 0.00 WT1 O ATOM 5540 H1 TIP3 832 60.179 43.514 -2.798 1.00 0.00 WT1 H ATOM 5541 H2 TIP3 832 61.085 43.949 -3.930 1.00 0.00 WT1 H ATOM 5542 OH2 TIP3 833 53.517 41.555 35.780 1.00 0.00 WT1 O ATOM 5543 H1 TIP3 833 53.151 40.927 35.157 1.00 0.00 WT1 H ATOM 5544 H2 TIP3 833 52.865 42.255 35.825 1.00 0.00 WT1 H ATOM 5545 OH2 TIP3 834 32.283 18.244 61.544 1.00 0.00 WT1 O ATOM 5546 H1 TIP3 834 31.962 17.934 62.390 1.00 0.00 WT1 H ATOM 5547 H2 TIP3 834 32.029 17.559 60.925 1.00 0.00 WT1 H ATOM 5548 OH2 TIP3 835 80.544 89.056 -13.446 1.00 0.00 WT1 O ATOM 5549 H1 TIP3 835 81.276 88.744 -13.979 1.00 0.00 WT1 H ATOM 5550 H2 TIP3 835 79.777 88.950 -14.008 1.00 0.00 WT1 H ATOM 5551 OH2 TIP3 836 72.783 69.716 40.779 1.00 0.00 WT1 O ATOM 5552 H1 TIP3 836 73.119 69.817 39.889 1.00 0.00 WT1 H ATOM 5553 H2 TIP3 836 73.374 70.240 41.320 1.00 0.00 WT1 H ATOM 5554 OH2 TIP3 837 60.694 62.504 26.180 1.00 0.00 WT1 O ATOM 5555 H1 TIP3 837 60.574 63.234 25.573 1.00 0.00 WT1 H ATOM 5556 H2 TIP3 837 59.805 62.255 26.434 1.00 0.00 WT1 H ATOM 5557 OH2 TIP3 838 56.683 85.620 35.469 1.00 0.00 WT1 O ATOM 5558 H1 TIP3 838 56.173 85.147 34.812 1.00 0.00 WT1 H ATOM 5559 H2 TIP3 838 57.588 85.552 35.165 1.00 0.00 WT1 H ATOM 5560 OH2 TIP3 839 68.563 31.060 60.080 1.00 0.00 WT1 O ATOM 5561 H1 TIP3 839 67.770 31.587 59.978 1.00 0.00 WT1 H ATOM 5562 H2 TIP3 839 69.078 31.526 60.739 1.00 0.00 WT1 H ATOM 5563 OH2 TIP3 840 41.627 35.646 -18.665 1.00 0.00 WT1 O ATOM 5564 H1 TIP3 840 41.005 35.973 -18.015 1.00 0.00 WT1 H ATOM 5565 H2 TIP3 840 41.668 34.703 -18.504 1.00 0.00 WT1 H ATOM 5566 OH2 TIP3 841 54.143 4.107 53.527 1.00 0.00 WT1 O ATOM 5567 H1 TIP3 841 54.428 3.240 53.236 1.00 0.00 WT1 H ATOM 5568 H2 TIP3 841 54.232 4.082 54.479 1.00 0.00 WT1 H ATOM 5569 OH2 TIP3 842 29.580 81.874 65.294 1.00 0.00 WT1 O ATOM 5570 H1 TIP3 842 29.061 82.436 64.718 1.00 0.00 WT1 H ATOM 5571 H2 TIP3 842 30.112 81.346 64.699 1.00 0.00 WT1 H ATOM 5572 OH2 TIP3 843 61.241 86.833 -10.578 1.00 0.00 WT1 O ATOM 5573 H1 TIP3 843 61.323 87.723 -10.236 1.00 0.00 WT1 H ATOM 5574 H2 TIP3 843 61.484 86.270 -9.843 1.00 0.00 WT1 H ATOM 5575 OH2 TIP3 844 36.159 89.589 18.449 1.00 0.00 WT1 O ATOM 5576 H1 TIP3 844 36.075 90.448 18.034 1.00 0.00 WT1 H ATOM 5577 H2 TIP3 844 37.088 89.375 18.371 1.00 0.00 WT1 H ATOM 5578 OH2 TIP3 845 51.588 48.446 51.500 1.00 0.00 WT1 O ATOM 5579 H1 TIP3 845 51.675 47.589 51.081 1.00 0.00 WT1 H ATOM 5580 H2 TIP3 845 52.241 48.993 51.064 1.00 0.00 WT1 H ATOM 5581 OH2 TIP3 846 30.154 58.248 60.484 1.00 0.00 WT1 O ATOM 5582 H1 TIP3 846 29.280 58.620 60.605 1.00 0.00 WT1 H ATOM 5583 H2 TIP3 846 30.111 57.805 59.637 1.00 0.00 WT1 H ATOM 5584 OH2 TIP3 847 67.252 59.693 17.865 1.00 0.00 WT1 O ATOM 5585 H1 TIP3 847 67.322 59.476 18.795 1.00 0.00 WT1 H ATOM 5586 H2 TIP3 847 66.361 59.438 17.626 1.00 0.00 WT1 H ATOM 5587 OH2 TIP3 848 85.480 45.723 7.968 1.00 0.00 WT1 O ATOM 5588 H1 TIP3 848 85.602 46.641 7.723 1.00 0.00 WT1 H ATOM 5589 H2 TIP3 848 85.158 45.303 7.170 1.00 0.00 WT1 H ATOM 5590 OH2 TIP3 849 58.859 3.402 39.433 1.00 0.00 WT1 O ATOM 5591 H1 TIP3 849 59.665 3.477 39.944 1.00 0.00 WT1 H ATOM 5592 H2 TIP3 849 58.280 2.866 39.975 1.00 0.00 WT1 H ATOM 5593 OH2 TIP3 850 70.371 73.295 -16.695 1.00 0.00 WT1 O ATOM 5594 H1 TIP3 850 70.639 72.566 -17.254 1.00 0.00 WT1 H ATOM 5595 H2 TIP3 850 71.053 73.955 -16.818 1.00 0.00 WT1 H ATOM 5596 OH2 TIP3 851 35.075 53.517 20.406 1.00 0.00 WT1 O ATOM 5597 H1 TIP3 851 35.921 53.803 20.752 1.00 0.00 WT1 H ATOM 5598 H2 TIP3 851 35.254 52.661 20.015 1.00 0.00 WT1 H ATOM 5599 OH2 TIP3 852 79.443 25.781 11.130 1.00 0.00 WT1 O ATOM 5600 H1 TIP3 852 78.955 25.441 11.880 1.00 0.00 WT1 H ATOM 5601 H2 TIP3 852 80.061 25.085 10.910 1.00 0.00 WT1 H ATOM 5602 OH2 TIP3 853 64.771 19.253 25.967 1.00 0.00 WT1 O ATOM 5603 H1 TIP3 853 63.841 19.224 26.193 1.00 0.00 WT1 H ATOM 5604 H2 TIP3 853 64.795 19.658 25.100 1.00 0.00 WT1 H ATOM 5605 OH2 TIP3 854 45.484 4.581 66.252 1.00 0.00 WT1 O ATOM 5606 H1 TIP3 854 45.265 4.485 65.325 1.00 0.00 WT1 H ATOM 5607 H2 TIP3 854 44.859 5.228 66.580 1.00 0.00 WT1 H ATOM 5608 OH2 TIP3 855 54.965 68.738 29.305 1.00 0.00 WT1 O ATOM 5609 H1 TIP3 855 54.189 69.129 28.904 1.00 0.00 WT1 H ATOM 5610 H2 TIP3 855 54.925 67.815 29.052 1.00 0.00 WT1 H ATOM 5611 OH2 TIP3 856 51.146 50.101 -1.229 1.00 0.00 WT1 O ATOM 5612 H1 TIP3 856 50.371 50.646 -1.086 1.00 0.00 WT1 H ATOM 5613 H2 TIP3 856 51.267 49.636 -0.401 1.00 0.00 WT1 H ATOM 5614 OH2 TIP3 857 26.121 49.235 23.418 1.00 0.00 WT1 O ATOM 5615 H1 TIP3 857 26.524 48.996 24.253 1.00 0.00 WT1 H ATOM 5616 H2 TIP3 857 26.743 49.840 23.015 1.00 0.00 WT1 H ATOM 5617 OH2 TIP3 858 36.749 82.597 -3.924 1.00 0.00 WT1 O ATOM 5618 H1 TIP3 858 37.006 83.077 -4.711 1.00 0.00 WT1 H ATOM 5619 H2 TIP3 858 37.181 81.747 -4.010 1.00 0.00 WT1 H ATOM 5620 OH2 TIP3 859 83.254 34.859 63.754 1.00 0.00 WT1 O ATOM 5621 H1 TIP3 859 84.058 35.152 64.182 1.00 0.00 WT1 H ATOM 5622 H2 TIP3 859 82.649 35.595 63.850 1.00 0.00 WT1 H ATOM 5623 OH2 TIP3 860 65.567 64.634 2.083 1.00 0.00 WT1 O ATOM 5624 H1 TIP3 860 65.688 65.324 2.736 1.00 0.00 WT1 H ATOM 5625 H2 TIP3 860 64.632 64.658 1.880 1.00 0.00 WT1 H ATOM 5626 OH2 TIP3 861 41.630 75.082 19.986 1.00 0.00 WT1 O ATOM 5627 H1 TIP3 861 41.715 74.578 20.796 1.00 0.00 WT1 H ATOM 5628 H2 TIP3 861 41.764 74.440 19.289 1.00 0.00 WT1 H ATOM 5629 OH2 TIP3 862 42.706 90.861 23.682 1.00 0.00 WT1 O ATOM 5630 H1 TIP3 862 41.870 90.604 23.292 1.00 0.00 WT1 H ATOM 5631 H2 TIP3 862 43.026 91.567 23.119 1.00 0.00 WT1 H ATOM 5632 OH2 TIP3 863 56.508 28.534 63.212 1.00 0.00 WT1 O ATOM 5633 H1 TIP3 863 55.940 27.999 63.766 1.00 0.00 WT1 H ATOM 5634 H2 TIP3 863 56.754 27.954 62.491 1.00 0.00 WT1 H ATOM 5635 OH2 TIP3 864 38.093 35.401 60.432 1.00 0.00 WT1 O ATOM 5636 H1 TIP3 864 38.703 34.819 60.886 1.00 0.00 WT1 H ATOM 5637 H2 TIP3 864 38.631 36.143 60.154 1.00 0.00 WT1 H ATOM 5638 OH2 TIP3 865 43.161 31.969 34.252 1.00 0.00 WT1 O ATOM 5639 H1 TIP3 865 42.718 32.488 33.581 1.00 0.00 WT1 H ATOM 5640 H2 TIP3 865 43.324 32.588 34.965 1.00 0.00 WT1 H ATOM 5641 OH2 TIP3 866 81.024 95.287 27.638 1.00 0.00 WT1 O ATOM 5642 H1 TIP3 866 80.705 96.163 27.856 1.00 0.00 WT1 H ATOM 5643 H2 TIP3 866 80.669 94.724 28.326 1.00 0.00 WT1 H ATOM 5644 OH2 TIP3 867 77.108 2.424 60.028 1.00 0.00 WT1 O ATOM 5645 H1 TIP3 867 77.738 2.615 59.333 1.00 0.00 WT1 H ATOM 5646 H2 TIP3 867 77.179 1.478 60.162 1.00 0.00 WT1 H ATOM 5647 OH2 TIP3 869 55.571 47.041 62.158 1.00 0.00 WT1 O ATOM 5648 H1 TIP3 869 54.865 46.735 62.727 1.00 0.00 WT1 H ATOM 5649 H2 TIP3 869 55.233 47.847 61.768 1.00 0.00 WT1 H ATOM 5650 OH2 TIP3 870 88.871 4.799 -12.798 1.00 0.00 WT1 O ATOM 5651 H1 TIP3 870 89.599 4.891 -12.184 1.00 0.00 WT1 H ATOM 5652 H2 TIP3 870 88.127 4.543 -12.252 1.00 0.00 WT1 H ATOM 5653 OH2 TIP3 871 38.316 68.038 58.811 1.00 0.00 WT1 O ATOM 5654 H1 TIP3 871 38.676 67.475 58.126 1.00 0.00 WT1 H ATOM 5655 H2 TIP3 871 38.702 68.898 58.642 1.00 0.00 WT1 H ATOM 5656 OH2 TIP3 872 50.000 36.956 64.086 1.00 0.00 WT1 O ATOM 5657 H1 TIP3 872 50.721 37.583 64.150 1.00 0.00 WT1 H ATOM 5658 H2 TIP3 872 49.647 36.904 64.974 1.00 0.00 WT1 H ATOM 5659 OH2 TIP3 873 55.960 56.699 9.841 1.00 0.00 WT1 O ATOM 5660 H1 TIP3 873 56.557 56.737 10.588 1.00 0.00 WT1 H ATOM 5661 H2 TIP3 873 56.458 56.250 9.158 1.00 0.00 WT1 H ATOM 5662 OH2 TIP3 874 29.820 68.570 40.183 1.00 0.00 WT1 O ATOM 5663 H1 TIP3 874 30.692 68.962 40.236 1.00 0.00 WT1 H ATOM 5664 H2 TIP3 874 29.557 68.692 39.271 1.00 0.00 WT1 H ATOM 5665 OH2 TIP3 875 35.735 64.847 5.882 1.00 0.00 WT1 O ATOM 5666 H1 TIP3 875 36.158 63.996 5.995 1.00 0.00 WT1 H ATOM 5667 H2 TIP3 875 35.888 65.303 6.710 1.00 0.00 WT1 H ATOM 5668 OH2 TIP3 876 32.003 62.569 40.101 1.00 0.00 WT1 O ATOM 5669 H1 TIP3 876 31.126 62.298 39.831 1.00 0.00 WT1 H ATOM 5670 H2 TIP3 876 31.860 63.109 40.878 1.00 0.00 WT1 H ATOM 5671 OH2 TIP3 877 29.306 32.471 47.871 1.00 0.00 WT1 O ATOM 5672 H1 TIP3 877 28.622 31.984 48.331 1.00 0.00 WT1 H ATOM 5673 H2 TIP3 877 29.076 33.390 48.004 1.00 0.00 WT1 H ATOM 5674 OH2 TIP3 878 58.667 7.884 31.583 1.00 0.00 WT1 O ATOM 5675 H1 TIP3 878 59.534 8.289 31.597 1.00 0.00 WT1 H ATOM 5676 H2 TIP3 878 58.841 6.943 31.607 1.00 0.00 WT1 H ATOM 5677 OH2 TIP3 880 82.799 57.336 22.960 1.00 0.00 WT1 O ATOM 5678 H1 TIP3 880 82.221 57.264 23.719 1.00 0.00 WT1 H ATOM 5679 H2 TIP3 880 82.573 56.583 22.414 1.00 0.00 WT1 H ATOM 5680 OH2 TIP3 881 78.133 52.687 61.664 1.00 0.00 WT1 O ATOM 5681 H1 TIP3 881 78.944 53.086 61.350 1.00 0.00 WT1 H ATOM 5682 H2 TIP3 881 78.392 52.200 62.446 1.00 0.00 WT1 H ATOM 5683 OH2 TIP3 883 53.717 83.631 -1.102 1.00 0.00 WT1 O ATOM 5684 H1 TIP3 883 53.330 82.974 -0.523 1.00 0.00 WT1 H ATOM 5685 H2 TIP3 883 54.650 83.620 -0.888 1.00 0.00 WT1 H ATOM 5686 OH2 TIP3 884 75.734 48.843 58.315 1.00 0.00 WT1 O ATOM 5687 H1 TIP3 884 75.265 49.602 57.967 1.00 0.00 WT1 H ATOM 5688 H2 TIP3 884 75.918 48.303 57.546 1.00 0.00 WT1 H ATOM 5689 OH2 TIP3 885 34.545 5.031 27.178 1.00 0.00 WT1 O ATOM 5690 H1 TIP3 885 33.664 4.734 26.950 1.00 0.00 WT1 H ATOM 5691 H2 TIP3 885 34.985 5.146 26.336 1.00 0.00 WT1 H ATOM 5692 OH2 TIP3 886 61.667 74.823 34.159 1.00 0.00 WT1 O ATOM 5693 H1 TIP3 886 62.442 74.335 34.437 1.00 0.00 WT1 H ATOM 5694 H2 TIP3 886 61.135 74.181 33.689 1.00 0.00 WT1 H ATOM 5695 OH2 TIP3 887 80.037 36.757 10.263 1.00 0.00 WT1 O ATOM 5696 H1 TIP3 887 79.623 37.615 10.351 1.00 0.00 WT1 H ATOM 5697 H2 TIP3 887 80.881 36.852 10.706 1.00 0.00 WT1 H ATOM 5698 OH2 TIP3 889 50.583 7.704 -9.192 1.00 0.00 WT1 O ATOM 5699 H1 TIP3 889 50.430 7.175 -9.975 1.00 0.00 WT1 H ATOM 5700 H2 TIP3 889 50.079 8.504 -9.340 1.00 0.00 WT1 H ATOM 5701 OH2 TIP3 890 52.271 30.517 -2.267 1.00 0.00 WT1 O ATOM 5702 H1 TIP3 890 51.656 31.007 -1.721 1.00 0.00 WT1 H ATOM 5703 H2 TIP3 890 52.770 31.189 -2.729 1.00 0.00 WT1 H ATOM 5704 OH2 TIP3 891 44.003 13.301 21.217 1.00 0.00 WT1 O ATOM 5705 H1 TIP3 891 44.740 13.377 21.823 1.00 0.00 WT1 H ATOM 5706 H2 TIP3 891 44.325 13.680 20.399 1.00 0.00 WT1 H ATOM 5707 OH2 TIP3 893 85.610 36.529 3.000 1.00 0.00 WT1 O ATOM 5708 H1 TIP3 893 84.841 36.757 2.478 1.00 0.00 WT1 H ATOM 5709 H2 TIP3 893 85.951 37.370 3.305 1.00 0.00 WT1 H ATOM 5710 OH2 TIP3 894 75.952 89.615 27.436 1.00 0.00 WT1 O ATOM 5711 H1 TIP3 894 75.125 90.074 27.286 1.00 0.00 WT1 H ATOM 5712 H2 TIP3 894 76.538 90.285 27.787 1.00 0.00 WT1 H ATOM 5713 OH2 TIP3 895 68.424 74.898 6.697 1.00 0.00 WT1 O ATOM 5714 H1 TIP3 895 68.580 74.378 7.485 1.00 0.00 WT1 H ATOM 5715 H2 TIP3 895 67.667 75.441 6.913 1.00 0.00 WT1 H ATOM 5716 OH2 TIP3 896 72.277 0.914 58.998 1.00 0.00 WT1 O ATOM 5717 H1 TIP3 896 71.859 0.920 59.859 1.00 0.00 WT1 H ATOM 5718 H2 TIP3 896 71.558 1.046 58.380 1.00 0.00 WT1 H ATOM 5719 OH2 TIP3 897 29.892 96.346 -19.346 1.00 0.00 WT1 O ATOM 5720 H1 TIP3 897 29.330 96.947 -18.858 1.00 0.00 WT1 H ATOM 5721 H2 TIP3 897 29.298 95.663 -19.659 1.00 0.00 WT1 H ATOM 5722 OH2 TIP3 898 40.080 38.990 0.390 1.00 0.00 WT1 O ATOM 5723 H1 TIP3 898 39.463 38.444 -0.096 1.00 0.00 WT1 H ATOM 5724 H2 TIP3 898 40.338 39.672 -0.231 1.00 0.00 WT1 H ATOM 5725 OH2 TIP3 899 66.881 86.968 -2.828 1.00 0.00 WT1 O ATOM 5726 H1 TIP3 899 67.743 86.773 -2.459 1.00 0.00 WT1 H ATOM 5727 H2 TIP3 899 66.620 86.160 -3.269 1.00 0.00 WT1 H ATOM 5728 OH2 TIP3 900 52.693 31.177 20.645 1.00 0.00 WT1 O ATOM 5729 H1 TIP3 900 53.221 31.808 20.155 1.00 0.00 WT1 H ATOM 5730 H2 TIP3 900 51.839 31.600 20.738 1.00 0.00 WT1 H ATOM 5731 OH2 TIP3 901 42.905 83.992 57.441 1.00 0.00 WT1 O ATOM 5732 H1 TIP3 901 42.766 83.166 57.905 1.00 0.00 WT1 H ATOM 5733 H2 TIP3 901 43.739 84.320 57.778 1.00 0.00 WT1 H ATOM 5734 OH2 TIP3 902 49.169 85.021 63.288 1.00 0.00 WT1 O ATOM 5735 H1 TIP3 902 49.299 84.728 64.190 1.00 0.00 WT1 H ATOM 5736 H2 TIP3 902 48.501 85.704 63.352 1.00 0.00 WT1 H ATOM 5737 OH2 TIP3 903 24.283 75.791 60.149 1.00 0.00 WT1 O ATOM 5738 H1 TIP3 903 24.792 75.009 59.937 1.00 0.00 WT1 H ATOM 5739 H2 TIP3 903 23.914 76.072 59.311 1.00 0.00 WT1 H ATOM 5740 OH2 TIP3 904 66.513 71.228 21.908 1.00 0.00 WT1 O ATOM 5741 H1 TIP3 904 66.029 70.472 22.240 1.00 0.00 WT1 H ATOM 5742 H2 TIP3 904 66.548 71.095 20.960 1.00 0.00 WT1 H ATOM 5743 OH2 TIP3 905 65.769 61.332 -16.561 1.00 0.00 WT1 O ATOM 5744 H1 TIP3 905 66.204 61.548 -15.736 1.00 0.00 WT1 H ATOM 5745 H2 TIP3 905 66.479 61.058 -17.142 1.00 0.00 WT1 H ATOM 5746 OH2 TIP3 906 38.592 62.991 15.226 1.00 0.00 WT1 O ATOM 5747 H1 TIP3 906 39.214 63.649 15.536 1.00 0.00 WT1 H ATOM 5748 H2 TIP3 906 38.956 62.157 15.522 1.00 0.00 WT1 H ATOM 5749 OH2 TIP3 907 51.818 91.742 -3.135 1.00 0.00 WT1 O ATOM 5750 H1 TIP3 907 51.820 90.843 -2.807 1.00 0.00 WT1 H ATOM 5751 H2 TIP3 907 50.960 91.844 -3.548 1.00 0.00 WT1 H ATOM 5752 OH2 TIP3 908 28.950 0.815 17.934 1.00 0.00 WT1 O ATOM 5753 H1 TIP3 908 28.635 1.636 17.556 1.00 0.00 WT1 H ATOM 5754 H2 TIP3 908 29.132 0.257 17.178 1.00 0.00 WT1 H ATOM 5755 OH2 TIP3 909 50.275 42.032 57.297 1.00 0.00 WT1 O ATOM 5756 H1 TIP3 909 50.359 42.983 57.364 1.00 0.00 WT1 H ATOM 5757 H2 TIP3 909 50.196 41.863 56.359 1.00 0.00 WT1 H ATOM 5758 OH2 TIP3 910 75.967 21.364 -17.539 1.00 0.00 WT1 O ATOM 5759 H1 TIP3 910 75.298 20.680 -17.543 1.00 0.00 WT1 H ATOM 5760 H2 TIP3 910 76.795 20.890 -17.472 1.00 0.00 WT1 H ATOM 5761 OH2 TIP3 911 36.732 5.719 -14.265 1.00 0.00 WT1 O ATOM 5762 H1 TIP3 911 36.330 5.073 -14.846 1.00 0.00 WT1 H ATOM 5763 H2 TIP3 911 37.602 5.866 -14.636 1.00 0.00 WT1 H ATOM 5764 OH2 TIP3 912 45.252 24.178 65.374 1.00 0.00 WT1 O ATOM 5765 H1 TIP3 912 44.801 24.985 65.621 1.00 0.00 WT1 H ATOM 5766 H2 TIP3 912 44.663 23.755 64.750 1.00 0.00 WT1 H ATOM 5767 OH2 TIP3 913 28.703 33.858 -3.841 1.00 0.00 WT1 O ATOM 5768 H1 TIP3 913 28.513 33.644 -4.755 1.00 0.00 WT1 H ATOM 5769 H2 TIP3 913 28.903 34.794 -3.851 1.00 0.00 WT1 H ATOM 5770 OH2 TIP3 914 75.006 67.606 -11.673 1.00 0.00 WT1 O ATOM 5771 H1 TIP3 914 75.881 67.549 -12.057 1.00 0.00 WT1 H ATOM 5772 H2 TIP3 914 74.572 66.797 -11.943 1.00 0.00 WT1 H ATOM 5773 OH2 TIP3 915 51.651 14.836 7.424 1.00 0.00 WT1 O ATOM 5774 H1 TIP3 915 52.288 15.407 6.994 1.00 0.00 WT1 H ATOM 5775 H2 TIP3 915 50.807 15.100 7.058 1.00 0.00 WT1 H ATOM 5776 OH2 TIP3 916 77.489 81.567 7.283 1.00 0.00 WT1 O ATOM 5777 H1 TIP3 916 77.935 80.785 7.608 1.00 0.00 WT1 H ATOM 5778 H2 TIP3 916 78.191 82.201 7.135 1.00 0.00 WT1 H ATOM 5779 OH2 TIP3 917 80.975 9.796 62.709 1.00 0.00 WT1 O ATOM 5780 H1 TIP3 917 81.017 10.203 61.844 1.00 0.00 WT1 H ATOM 5781 H2 TIP3 917 80.771 8.877 62.533 1.00 0.00 WT1 H ATOM 5782 OH2 TIP3 918 31.419 3.510 49.620 1.00 0.00 WT1 O ATOM 5783 H1 TIP3 918 31.943 3.092 48.937 1.00 0.00 WT1 H ATOM 5784 H2 TIP3 918 30.937 4.200 49.165 1.00 0.00 WT1 H ATOM 5785 OH2 TIP3 919 29.718 88.994 53.635 1.00 0.00 WT1 O ATOM 5786 H1 TIP3 919 29.041 89.669 53.681 1.00 0.00 WT1 H ATOM 5787 H2 TIP3 919 30.541 89.482 53.599 1.00 0.00 WT1 H ATOM 5788 OH2 TIP3 921 58.375 57.670 39.293 1.00 0.00 WT1 O ATOM 5789 H1 TIP3 921 58.079 58.218 38.566 1.00 0.00 WT1 H ATOM 5790 H2 TIP3 921 57.811 56.898 39.256 1.00 0.00 WT1 H ATOM 5791 OH2 TIP3 922 60.055 31.764 59.533 1.00 0.00 WT1 O ATOM 5792 H1 TIP3 922 59.106 31.645 59.519 1.00 0.00 WT1 H ATOM 5793 H2 TIP3 922 60.180 32.662 59.840 1.00 0.00 WT1 H ATOM 5794 OH2 TIP3 923 82.876 79.426 62.945 1.00 0.00 WT1 O ATOM 5795 H1 TIP3 923 82.882 79.892 62.109 1.00 0.00 WT1 H ATOM 5796 H2 TIP3 923 83.290 80.031 63.560 1.00 0.00 WT1 H ATOM 5797 OH2 TIP3 924 89.759 57.016 6.889 1.00 0.00 WT1 O ATOM 5798 H1 TIP3 924 89.886 57.701 7.545 1.00 0.00 WT1 H ATOM 5799 H2 TIP3 924 90.008 57.427 6.061 1.00 0.00 WT1 H ATOM 5800 OH2 TIP3 925 33.709 92.421 64.026 1.00 0.00 WT1 O ATOM 5801 H1 TIP3 925 32.825 92.283 64.366 1.00 0.00 WT1 H ATOM 5802 H2 TIP3 925 33.578 92.666 63.110 1.00 0.00 WT1 H ATOM 5803 OH2 TIP3 926 25.963 69.340 57.688 1.00 0.00 WT1 O ATOM 5804 H1 TIP3 926 26.236 68.506 57.305 1.00 0.00 WT1 H ATOM 5805 H2 TIP3 926 26.577 69.981 57.329 1.00 0.00 WT1 H ATOM 5806 OH2 TIP3 927 67.812 3.683 11.613 1.00 0.00 WT1 O ATOM 5807 H1 TIP3 927 68.597 3.710 11.066 1.00 0.00 WT1 H ATOM 5808 H2 TIP3 927 67.543 4.598 11.692 1.00 0.00 WT1 H ATOM 5809 OH2 TIP3 928 38.023 35.774 26.483 1.00 0.00 WT1 O ATOM 5810 H1 TIP3 928 38.825 36.291 26.416 1.00 0.00 WT1 H ATOM 5811 H2 TIP3 928 37.953 35.328 25.639 1.00 0.00 WT1 H ATOM 5812 OH2 TIP3 929 25.274 45.193 5.698 1.00 0.00 WT1 O ATOM 5813 H1 TIP3 929 26.125 45.532 5.976 1.00 0.00 WT1 H ATOM 5814 H2 TIP3 929 24.639 45.807 6.064 1.00 0.00 WT1 H ATOM 5815 OH2 TIP3 930 22.753 2.487 -9.800 1.00 0.00 WT1 O ATOM 5816 H1 TIP3 930 23.362 2.078 -9.186 1.00 0.00 WT1 H ATOM 5817 H2 TIP3 930 22.850 1.980 -10.607 1.00 0.00 WT1 H ATOM 5818 OH2 TIP3 931 58.382 39.619 -2.790 1.00 0.00 WT1 O ATOM 5819 H1 TIP3 931 57.757 39.351 -3.463 1.00 0.00 WT1 H ATOM 5820 H2 TIP3 931 58.026 40.436 -2.443 1.00 0.00 WT1 H ATOM 5821 OH2 TIP3 932 37.439 24.998 -0.434 1.00 0.00 WT1 O ATOM 5822 H1 TIP3 932 36.660 25.232 0.071 1.00 0.00 WT1 H ATOM 5823 H2 TIP3 932 37.911 24.381 0.125 1.00 0.00 WT1 H ATOM 5824 OH2 TIP3 933 37.592 46.703 60.535 1.00 0.00 WT1 O ATOM 5825 H1 TIP3 933 37.285 45.837 60.268 1.00 0.00 WT1 H ATOM 5826 H2 TIP3 933 37.155 46.865 61.371 1.00 0.00 WT1 H ATOM 5827 OH2 TIP3 934 39.791 69.683 18.724 1.00 0.00 WT1 O ATOM 5828 H1 TIP3 934 40.465 69.008 18.636 1.00 0.00 WT1 H ATOM 5829 H2 TIP3 934 39.480 69.829 17.830 1.00 0.00 WT1 H ATOM 5830 OH2 TIP3 935 79.018 79.634 58.297 1.00 0.00 WT1 O ATOM 5831 H1 TIP3 935 78.421 79.677 59.044 1.00 0.00 WT1 H ATOM 5832 H2 TIP3 935 78.507 79.214 57.605 1.00 0.00 WT1 H ATOM 5833 OH2 TIP3 936 56.556 30.696 29.435 1.00 0.00 WT1 O ATOM 5834 H1 TIP3 936 56.157 30.869 28.582 1.00 0.00 WT1 H ATOM 5835 H2 TIP3 936 56.195 29.851 29.701 1.00 0.00 WT1 H ATOM 5836 OH2 TIP3 937 71.867 22.498 49.517 1.00 0.00 WT1 O ATOM 5837 H1 TIP3 937 71.130 22.898 49.979 1.00 0.00 WT1 H ATOM 5838 H2 TIP3 937 72.583 23.125 49.619 1.00 0.00 WT1 H ATOM 5839 OH2 TIP3 938 87.865 30.231 -4.264 1.00 0.00 WT1 O ATOM 5840 H1 TIP3 938 88.249 31.102 -4.168 1.00 0.00 WT1 H ATOM 5841 H2 TIP3 938 87.491 30.037 -3.405 1.00 0.00 WT1 H ATOM 5842 OH2 TIP3 939 22.581 75.447 20.879 1.00 0.00 WT1 O ATOM 5843 H1 TIP3 939 22.469 75.468 21.830 1.00 0.00 WT1 H ATOM 5844 H2 TIP3 939 22.164 74.629 20.607 1.00 0.00 WT1 H ATOM 5845 OH2 TIP3 940 34.017 52.329 17.121 1.00 0.00 WT1 O ATOM 5846 H1 TIP3 940 34.916 52.474 17.416 1.00 0.00 WT1 H ATOM 5847 H2 TIP3 940 34.108 52.005 16.225 1.00 0.00 WT1 H ATOM 5848 OH2 TIP3 941 45.696 25.803 37.810 1.00 0.00 WT1 O ATOM 5849 H1 TIP3 941 45.573 26.063 38.723 1.00 0.00 WT1 H ATOM 5850 H2 TIP3 941 45.673 26.626 37.321 1.00 0.00 WT1 H ATOM 5851 OH2 TIP3 942 50.907 70.691 -17.112 1.00 0.00 WT1 O ATOM 5852 H1 TIP3 942 50.921 69.848 -16.659 1.00 0.00 WT1 H ATOM 5853 H2 TIP3 942 50.497 71.292 -16.490 1.00 0.00 WT1 H ATOM 5854 OH2 TIP3 943 71.040 94.487 43.605 1.00 0.00 WT1 O ATOM 5855 H1 TIP3 943 71.568 95.267 43.778 1.00 0.00 WT1 H ATOM 5856 H2 TIP3 943 70.139 94.767 43.765 1.00 0.00 WT1 H ATOM 5857 OH2 TIP3 944 56.988 15.032 52.675 1.00 0.00 WT1 O ATOM 5858 H1 TIP3 944 57.239 14.889 53.588 1.00 0.00 WT1 H ATOM 5859 H2 TIP3 944 56.097 15.379 52.723 1.00 0.00 WT1 H ATOM 5860 OH2 TIP3 945 39.345 76.359 25.777 1.00 0.00 WT1 O ATOM 5861 H1 TIP3 945 40.151 75.991 25.416 1.00 0.00 WT1 H ATOM 5862 H2 TIP3 945 39.343 76.080 26.693 1.00 0.00 WT1 H ATOM 5863 OH2 TIP3 946 50.867 62.597 57.316 1.00 0.00 WT1 O ATOM 5864 H1 TIP3 946 51.157 63.028 56.512 1.00 0.00 WT1 H ATOM 5865 H2 TIP3 946 51.218 61.709 57.253 1.00 0.00 WT1 H ATOM 5866 OH2 TIP3 947 80.528 74.437 -18.706 1.00 0.00 WT1 O ATOM 5867 H1 TIP3 947 80.735 74.876 -19.531 1.00 0.00 WT1 H ATOM 5868 H2 TIP3 947 80.322 73.537 -18.958 1.00 0.00 WT1 H ATOM 5869 OH2 TIP3 948 68.660 56.563 57.734 1.00 0.00 WT1 O ATOM 5870 H1 TIP3 948 67.949 55.955 57.937 1.00 0.00 WT1 H ATOM 5871 H2 TIP3 948 68.482 56.851 56.839 1.00 0.00 WT1 H ATOM 5872 OH2 TIP3 949 64.512 87.640 -4.138 1.00 0.00 WT1 O ATOM 5873 H1 TIP3 949 65.350 87.615 -3.676 1.00 0.00 WT1 H ATOM 5874 H2 TIP3 949 64.630 87.046 -4.880 1.00 0.00 WT1 H ATOM 5875 OH2 TIP3 950 34.191 68.665 16.508 1.00 0.00 WT1 O ATOM 5876 H1 TIP3 950 35.055 68.806 16.119 1.00 0.00 WT1 H ATOM 5877 H2 TIP3 950 34.369 68.208 17.330 1.00 0.00 WT1 H ATOM 5878 OH2 TIP3 951 78.709 45.967 -8.245 1.00 0.00 WT1 O ATOM 5879 H1 TIP3 951 79.554 46.413 -8.308 1.00 0.00 WT1 H ATOM 5880 H2 TIP3 951 78.218 46.474 -7.597 1.00 0.00 WT1 H ATOM 5881 OH2 TIP3 952 37.299 5.561 4.215 1.00 0.00 WT1 O ATOM 5882 H1 TIP3 952 37.959 5.181 4.795 1.00 0.00 WT1 H ATOM 5883 H2 TIP3 952 36.963 4.818 3.714 1.00 0.00 WT1 H ATOM 5884 OH2 TIP3 953 44.067 38.634 28.989 1.00 0.00 WT1 O ATOM 5885 H1 TIP3 953 44.751 38.891 28.372 1.00 0.00 WT1 H ATOM 5886 H2 TIP3 953 43.480 38.077 28.478 1.00 0.00 WT1 H ATOM 5887 OH2 TIP3 954 47.876 46.089 -15.314 1.00 0.00 WT1 O ATOM 5888 H1 TIP3 954 47.713 45.460 -14.611 1.00 0.00 WT1 H ATOM 5889 H2 TIP3 954 47.756 46.945 -14.904 1.00 0.00 WT1 H ATOM 5890 OH2 TIP3 955 67.157 56.096 48.818 1.00 0.00 WT1 O ATOM 5891 H1 TIP3 955 66.211 56.021 48.942 1.00 0.00 WT1 H ATOM 5892 H2 TIP3 955 67.516 55.312 49.234 1.00 0.00 WT1 H ATOM 5893 OH2 TIP3 956 41.402 10.377 39.657 1.00 0.00 WT1 O ATOM 5894 H1 TIP3 956 42.232 10.034 39.325 1.00 0.00 WT1 H ATOM 5895 H2 TIP3 956 40.886 10.558 38.871 1.00 0.00 WT1 H ATOM 5896 OH2 TIP3 957 55.632 2.450 47.761 1.00 0.00 WT1 O ATOM 5897 H1 TIP3 957 55.046 2.383 48.515 1.00 0.00 WT1 H ATOM 5898 H2 TIP3 957 56.497 2.600 48.142 1.00 0.00 WT1 H ATOM 5899 OH2 TIP3 958 54.236 7.321 3.628 1.00 0.00 WT1 O ATOM 5900 H1 TIP3 958 53.840 8.157 3.384 1.00 0.00 WT1 H ATOM 5901 H2 TIP3 958 54.618 7.479 4.491 1.00 0.00 WT1 H ATOM 5902 OH2 TIP3 959 60.417 20.397 12.947 1.00 0.00 WT1 O ATOM 5903 H1 TIP3 959 59.608 20.448 13.456 1.00 0.00 WT1 H ATOM 5904 H2 TIP3 959 60.400 19.523 12.556 1.00 0.00 WT1 H ATOM 5905 OH2 TIP3 960 71.962 69.093 65.924 1.00 0.00 WT1 O ATOM 5906 H1 TIP3 960 71.311 68.410 65.766 1.00 0.00 WT1 H ATOM 5907 H2 TIP3 960 71.845 69.330 66.844 1.00 0.00 WT1 H ATOM 5908 OH2 TIP3 961 24.439 16.021 37.240 1.00 0.00 WT1 O ATOM 5909 H1 TIP3 961 25.387 16.123 37.322 1.00 0.00 WT1 H ATOM 5910 H2 TIP3 961 24.234 16.374 36.374 1.00 0.00 WT1 H ATOM 5911 OH2 TIP3 962 64.562 81.791 25.164 1.00 0.00 WT1 O ATOM 5912 H1 TIP3 962 64.712 81.979 26.091 1.00 0.00 WT1 H ATOM 5913 H2 TIP3 962 65.401 81.456 24.848 1.00 0.00 WT1 H ATOM 5914 OH2 TIP3 963 48.513 84.143 -12.834 1.00 0.00 WT1 O ATOM 5915 H1 TIP3 963 48.304 84.957 -12.377 1.00 0.00 WT1 H ATOM 5916 H2 TIP3 963 47.663 83.736 -13.002 1.00 0.00 WT1 H ATOM 5917 OH2 TIP3 964 49.484 92.464 58.254 1.00 0.00 WT1 O ATOM 5918 H1 TIP3 964 48.578 92.745 58.380 1.00 0.00 WT1 H ATOM 5919 H2 TIP3 964 49.433 91.778 57.588 1.00 0.00 WT1 H ATOM 5920 OH2 TIP3 965 31.170 96.746 28.233 1.00 0.00 WT1 O ATOM 5921 H1 TIP3 965 32.057 97.104 28.266 1.00 0.00 WT1 H ATOM 5922 H2 TIP3 965 31.274 95.825 28.473 1.00 0.00 WT1 H ATOM 5923 OH2 TIP3 966 71.068 67.664 28.106 1.00 0.00 WT1 O ATOM 5924 H1 TIP3 966 70.517 67.402 27.368 1.00 0.00 WT1 H ATOM 5925 H2 TIP3 966 70.462 68.075 28.723 1.00 0.00 WT1 H ATOM 5926 OH2 TIP3 967 50.674 20.679 53.991 1.00 0.00 WT1 O ATOM 5927 H1 TIP3 967 49.916 20.804 53.419 1.00 0.00 WT1 H ATOM 5928 H2 TIP3 967 50.795 19.730 54.023 1.00 0.00 WT1 H ATOM 5929 OH2 TIP3 968 84.444 41.370 10.350 1.00 0.00 WT1 O ATOM 5930 H1 TIP3 968 85.253 41.870 10.463 1.00 0.00 WT1 H ATOM 5931 H2 TIP3 968 84.353 40.874 11.164 1.00 0.00 WT1 H ATOM 5932 OH2 TIP3 969 27.470 31.466 -15.407 1.00 0.00 WT1 O ATOM 5933 H1 TIP3 969 27.662 32.241 -15.935 1.00 0.00 WT1 H ATOM 5934 H2 TIP3 969 28.328 31.099 -15.198 1.00 0.00 WT1 H ATOM 5935 OH2 TIP3 970 35.159 18.430 20.187 1.00 0.00 WT1 O ATOM 5936 H1 TIP3 970 35.322 18.938 19.393 1.00 0.00 WT1 H ATOM 5937 H2 TIP3 970 35.490 18.981 20.897 1.00 0.00 WT1 H ATOM 5938 OH2 TIP3 971 85.563 30.499 41.422 1.00 0.00 WT1 O ATOM 5939 H1 TIP3 971 84.680 30.397 41.778 1.00 0.00 WT1 H ATOM 5940 H2 TIP3 971 86.114 30.657 42.188 1.00 0.00 WT1 H ATOM 5941 OH2 TIP3 972 38.159 29.939 11.279 1.00 0.00 WT1 O ATOM 5942 H1 TIP3 972 39.003 29.726 11.677 1.00 0.00 WT1 H ATOM 5943 H2 TIP3 972 37.527 29.850 11.993 1.00 0.00 WT1 H ATOM 5944 OH2 TIP3 973 34.221 51.751 14.164 1.00 0.00 WT1 O ATOM 5945 H1 TIP3 973 34.406 50.847 13.911 1.00 0.00 WT1 H ATOM 5946 H2 TIP3 973 34.625 52.281 13.477 1.00 0.00 WT1 H ATOM 5947 OH2 TIP3 974 70.549 22.575 -5.887 1.00 0.00 WT1 O ATOM 5948 H1 TIP3 974 71.188 23.209 -6.211 1.00 0.00 WT1 H ATOM 5949 H2 TIP3 974 70.349 22.868 -4.998 1.00 0.00 WT1 H ATOM 5950 OH2 TIP3 975 66.625 93.960 13.271 1.00 0.00 WT1 O ATOM 5951 H1 TIP3 975 65.916 93.859 12.636 1.00 0.00 WT1 H ATOM 5952 H2 TIP3 975 67.120 94.717 12.960 1.00 0.00 WT1 H ATOM 5953 OH2 TIP3 976 69.114 56.401 63.106 1.00 0.00 WT1 O ATOM 5954 H1 TIP3 976 68.729 56.603 62.253 1.00 0.00 WT1 H ATOM 5955 H2 TIP3 976 69.981 56.050 62.901 1.00 0.00 WT1 H ATOM 5956 OH2 TIP3 977 39.321 17.979 37.856 1.00 0.00 WT1 O ATOM 5957 H1 TIP3 977 39.387 18.862 38.219 1.00 0.00 WT1 H ATOM 5958 H2 TIP3 977 39.713 18.048 36.986 1.00 0.00 WT1 H ATOM 5959 OH2 TIP3 978 34.883 90.622 31.674 1.00 0.00 WT1 O ATOM 5960 H1 TIP3 978 35.811 90.443 31.827 1.00 0.00 WT1 H ATOM 5961 H2 TIP3 978 34.424 90.058 32.296 1.00 0.00 WT1 H ATOM 5962 OH2 TIP3 979 28.231 39.172 12.632 1.00 0.00 WT1 O ATOM 5963 H1 TIP3 979 27.978 39.722 11.890 1.00 0.00 WT1 H ATOM 5964 H2 TIP3 979 28.986 38.676 12.316 1.00 0.00 WT1 H ATOM 5965 OH2 TIP3 980 44.704 23.876 61.099 1.00 0.00 WT1 O ATOM 5966 H1 TIP3 980 43.990 24.161 60.529 1.00 0.00 WT1 H ATOM 5967 H2 TIP3 980 45.049 24.686 61.475 1.00 0.00 WT1 H ATOM 5968 OH2 TIP3 982 60.341 93.555 -17.496 1.00 0.00 WT1 O ATOM 5969 H1 TIP3 982 59.689 93.871 -16.870 1.00 0.00 WT1 H ATOM 5970 H2 TIP3 982 60.005 93.827 -18.350 1.00 0.00 WT1 H ATOM 5971 OH2 TIP3 983 38.357 87.395 46.599 1.00 0.00 WT1 O ATOM 5972 H1 TIP3 983 39.161 87.816 46.906 1.00 0.00 WT1 H ATOM 5973 H2 TIP3 983 38.030 86.918 47.362 1.00 0.00 WT1 H ATOM 5974 OH2 TIP3 984 24.683 63.900 -0.043 1.00 0.00 WT1 O ATOM 5975 H1 TIP3 984 25.356 64.362 0.456 1.00 0.00 WT1 H ATOM 5976 H2 TIP3 984 24.638 64.367 -0.877 1.00 0.00 WT1 H ATOM 5977 OH2 TIP3 985 88.507 23.427 39.072 1.00 0.00 WT1 O ATOM 5978 H1 TIP3 985 89.028 24.090 39.526 1.00 0.00 WT1 H ATOM 5979 H2 TIP3 985 89.068 22.652 39.053 1.00 0.00 WT1 H ATOM 5980 OH2 TIP3 986 67.781 59.161 33.129 1.00 0.00 WT1 O ATOM 5981 H1 TIP3 986 66.922 59.556 32.978 1.00 0.00 WT1 H ATOM 5982 H2 TIP3 986 67.895 59.191 34.078 1.00 0.00 WT1 H ATOM 5983 OH2 TIP3 988 65.329 48.091 53.573 1.00 0.00 WT1 O ATOM 5984 H1 TIP3 988 65.675 48.806 53.039 1.00 0.00 WT1 H ATOM 5985 H2 TIP3 988 65.366 47.324 53.001 1.00 0.00 WT1 H ATOM 5986 OH2 TIP3 989 20.439 7.111 11.190 1.00 0.00 WT1 O ATOM 5987 H1 TIP3 989 20.484 6.157 11.253 1.00 0.00 WT1 H ATOM 5988 H2 TIP3 989 21.292 7.369 10.840 1.00 0.00 WT1 H ATOM 5989 OH2 TIP3 990 59.840 22.216 60.522 1.00 0.00 WT1 O ATOM 5990 H1 TIP3 990 59.803 23.023 60.008 1.00 0.00 WT1 H ATOM 5991 H2 TIP3 990 60.613 22.319 61.077 1.00 0.00 WT1 H ATOM 5992 OH2 TIP3 991 45.900 85.797 34.113 1.00 0.00 WT1 O ATOM 5993 H1 TIP3 991 46.799 86.068 33.926 1.00 0.00 WT1 H ATOM 5994 H2 TIP3 991 45.895 84.853 33.957 1.00 0.00 WT1 H ATOM 5995 OH2 TIP3 992 39.794 11.083 -12.491 1.00 0.00 WT1 O ATOM 5996 H1 TIP3 992 38.901 11.164 -12.156 1.00 0.00 WT1 H ATOM 5997 H2 TIP3 992 39.711 11.231 -13.433 1.00 0.00 WT1 H ATOM 5998 OH2 TIP3 994 22.284 51.589 7.960 1.00 0.00 WT1 O ATOM 5999 H1 TIP3 994 23.098 51.835 7.520 1.00 0.00 WT1 H ATOM 6000 H2 TIP3 994 22.153 50.671 7.726 1.00 0.00 WT1 H ATOM 6001 OH2 TIP3 995 72.289 18.997 46.415 1.00 0.00 WT1 O ATOM 6002 H1 TIP3 995 71.818 19.493 45.746 1.00 0.00 WT1 H ATOM 6003 H2 TIP3 995 72.429 18.136 46.020 1.00 0.00 WT1 H ATOM 6004 OH2 TIP3 996 54.848 39.538 -16.935 1.00 0.00 WT1 O ATOM 6005 H1 TIP3 996 54.872 40.238 -16.283 1.00 0.00 WT1 H ATOM 6006 H2 TIP3 996 54.433 38.803 -16.484 1.00 0.00 WT1 H ATOM 6007 OH2 TIP3 997 52.909 80.009 -12.254 1.00 0.00 WT1 O ATOM 6008 H1 TIP3 997 53.551 79.325 -12.444 1.00 0.00 WT1 H ATOM 6009 H2 TIP3 997 52.250 79.917 -12.942 1.00 0.00 WT1 H ATOM 6010 OH2 TIP3 999 49.687 95.199 11.283 1.00 0.00 WT1 O ATOM 6011 H1 TIP3 999 48.780 95.496 11.212 1.00 0.00 WT1 H ATOM 6012 H2 TIP3 999 50.029 95.653 12.053 1.00 0.00 WT1 H ATOM 6013 OH2 TIP3 1000 83.075 25.841 -6.148 1.00 0.00 WT1 O ATOM 6014 H1 TIP3 1000 82.725 25.363 -5.396 1.00 0.00 WT1 H ATOM 6015 H2 TIP3 1000 83.573 25.186 -6.637 1.00 0.00 WT1 H ATOM 6016 OH2 TIP3 1001 35.797 34.031 -17.069 1.00 0.00 WT1 O ATOM 6017 H1 TIP3 1001 36.584 33.522 -16.874 1.00 0.00 WT1 H ATOM 6018 H2 TIP3 1001 36.090 34.698 -17.690 1.00 0.00 WT1 H ATOM 6019 OH2 TIP3 1002 87.471 48.076 34.129 1.00 0.00 WT1 O ATOM 6020 H1 TIP3 1002 87.349 47.841 33.209 1.00 0.00 WT1 H ATOM 6021 H2 TIP3 1002 86.900 47.476 34.607 1.00 0.00 WT1 H ATOM 6022 OH2 TIP3 1003 80.163 38.232 28.257 1.00 0.00 WT1 O ATOM 6023 H1 TIP3 1003 80.235 38.925 28.913 1.00 0.00 WT1 H ATOM 6024 H2 TIP3 1003 79.536 38.571 27.618 1.00 0.00 WT1 H ATOM 6025 OH2 TIP3 1004 46.646 19.827 19.777 1.00 0.00 WT1 O ATOM 6026 H1 TIP3 1004 46.418 19.959 20.698 1.00 0.00 WT1 H ATOM 6027 H2 TIP3 1004 47.236 20.551 19.570 1.00 0.00 WT1 H ATOM 6028 OH2 TIP3 1005 38.980 39.396 13.610 1.00 0.00 WT1 O ATOM 6029 H1 TIP3 1005 39.186 39.438 14.544 1.00 0.00 WT1 H ATOM 6030 H2 TIP3 1005 39.480 40.114 13.221 1.00 0.00 WT1 H ATOM 6031 OH2 TIP3 1006 32.391 77.794 65.739 1.00 0.00 WT1 O ATOM 6032 H1 TIP3 1006 32.679 77.515 66.608 1.00 0.00 WT1 H ATOM 6033 H2 TIP3 1006 32.105 76.987 65.311 1.00 0.00 WT1 H ATOM 6034 OH2 TIP3 1007 81.593 45.810 -3.798 1.00 0.00 WT1 O ATOM 6035 H1 TIP3 1007 81.516 46.664 -3.371 1.00 0.00 WT1 H ATOM 6036 H2 TIP3 1007 82.059 45.991 -4.614 1.00 0.00 WT1 H ATOM 6037 OH2 TIP3 1008 78.470 12.775 45.142 1.00 0.00 WT1 O ATOM 6038 H1 TIP3 1008 79.308 12.569 44.728 1.00 0.00 WT1 H ATOM 6039 H2 TIP3 1008 77.990 13.270 44.477 1.00 0.00 WT1 H ATOM 6040 OH2 TIP3 1009 82.452 87.816 51.768 1.00 0.00 WT1 O ATOM 6041 H1 TIP3 1009 83.155 87.649 52.395 1.00 0.00 WT1 H ATOM 6042 H2 TIP3 1009 82.594 87.176 51.071 1.00 0.00 WT1 H ATOM 6043 OH2 TIP3 1010 24.028 67.325 52.030 1.00 0.00 WT1 O ATOM 6044 H1 TIP3 1010 23.163 67.468 52.415 1.00 0.00 WT1 H ATOM 6045 H2 TIP3 1010 24.100 67.992 51.347 1.00 0.00 WT1 H ATOM 6046 OH2 TIP3 1011 59.435 48.469 -10.068 1.00 0.00 WT1 O ATOM 6047 H1 TIP3 1011 58.870 48.171 -9.354 1.00 0.00 WT1 H ATOM 6048 H2 TIP3 1011 60.212 47.913 -10.006 1.00 0.00 WT1 H ATOM 6049 OH2 TIP3 1012 43.940 83.011 18.183 1.00 0.00 WT1 O ATOM 6050 H1 TIP3 1012 44.502 83.696 17.821 1.00 0.00 WT1 H ATOM 6051 H2 TIP3 1012 44.178 82.223 17.695 1.00 0.00 WT1 H ATOM 6052 OH2 TIP3 1013 57.000 90.772 14.808 1.00 0.00 WT1 O ATOM 6053 H1 TIP3 1013 57.575 91.041 14.092 1.00 0.00 WT1 H ATOM 6054 H2 TIP3 1013 57.447 91.071 15.600 1.00 0.00 WT1 H ATOM 6055 OH2 TIP3 1014 25.184 81.456 18.452 1.00 0.00 WT1 O ATOM 6056 H1 TIP3 1014 25.308 80.590 18.065 1.00 0.00 WT1 H ATOM 6057 H2 TIP3 1014 24.356 81.391 18.928 1.00 0.00 WT1 H ATOM 6058 OH2 TIP3 1015 63.716 27.258 7.359 1.00 0.00 WT1 O ATOM 6059 H1 TIP3 1015 63.050 26.577 7.262 1.00 0.00 WT1 H ATOM 6060 H2 TIP3 1015 64.546 26.806 7.203 1.00 0.00 WT1 H ATOM 6061 OH2 TIP3 1016 21.454 21.821 33.381 1.00 0.00 WT1 O ATOM 6062 H1 TIP3 1016 20.996 22.637 33.179 1.00 0.00 WT1 H ATOM 6063 H2 TIP3 1016 22.372 22.076 33.469 1.00 0.00 WT1 H ATOM 6064 OH2 TIP3 1017 57.872 85.725 38.365 1.00 0.00 WT1 O ATOM 6065 H1 TIP3 1017 58.741 85.778 38.763 1.00 0.00 WT1 H ATOM 6066 H2 TIP3 1017 57.960 85.055 37.686 1.00 0.00 WT1 H ATOM 6067 OH2 TIP3 1018 22.786 61.860 -12.592 1.00 0.00 WT1 O ATOM 6068 H1 TIP3 1018 22.917 60.980 -12.237 1.00 0.00 WT1 H ATOM 6069 H2 TIP3 1018 22.977 62.445 -11.858 1.00 0.00 WT1 H ATOM 6070 OH2 TIP3 1020 26.946 88.814 61.513 1.00 0.00 WT1 O ATOM 6071 H1 TIP3 1020 26.954 89.495 62.185 1.00 0.00 WT1 H ATOM 6072 H2 TIP3 1020 26.574 89.243 60.742 1.00 0.00 WT1 H ATOM 6073 OH2 TIP3 1021 37.609 64.194 12.624 1.00 0.00 WT1 O ATOM 6074 H1 TIP3 1021 37.537 63.542 11.926 1.00 0.00 WT1 H ATOM 6075 H2 TIP3 1021 38.171 63.782 13.280 1.00 0.00 WT1 H ATOM 6076 OH2 TIP3 1022 36.411 71.167 -11.115 1.00 0.00 WT1 O ATOM 6077 H1 TIP3 1022 37.295 71.453 -11.346 1.00 0.00 WT1 H ATOM 6078 H2 TIP3 1022 36.505 70.237 -10.912 1.00 0.00 WT1 H ATOM 6079 OH2 TIP3 1023 79.110 30.765 10.547 1.00 0.00 WT1 O ATOM 6080 H1 TIP3 1023 79.447 29.892 10.750 1.00 0.00 WT1 H ATOM 6081 H2 TIP3 1023 78.827 30.707 9.634 1.00 0.00 WT1 H ATOM 6082 OH2 TIP3 1025 33.470 90.848 49.579 1.00 0.00 WT1 O ATOM 6083 H1 TIP3 1025 34.204 90.497 49.075 1.00 0.00 WT1 H ATOM 6084 H2 TIP3 1025 33.287 90.175 50.235 1.00 0.00 WT1 H ATOM 6085 OH2 TIP3 1026 32.882 89.313 66.651 1.00 0.00 WT1 O ATOM 6086 H1 TIP3 1026 33.557 89.540 67.291 1.00 0.00 WT1 H ATOM 6087 H2 TIP3 1026 33.238 88.557 66.184 1.00 0.00 WT1 H ATOM 6088 OH2 TIP3 1027 81.298 88.331 -7.236 1.00 0.00 WT1 O ATOM 6089 H1 TIP3 1027 80.573 88.581 -6.662 1.00 0.00 WT1 H ATOM 6090 H2 TIP3 1027 81.132 88.804 -8.052 1.00 0.00 WT1 H ATOM 6091 OH2 TIP3 1028 24.771 44.761 15.352 1.00 0.00 WT1 O ATOM 6092 H1 TIP3 1028 25.469 44.952 15.978 1.00 0.00 WT1 H ATOM 6093 H2 TIP3 1028 25.118 44.048 14.816 1.00 0.00 WT1 H ATOM 6094 OH2 TIP3 1029 28.632 34.193 61.755 1.00 0.00 WT1 O ATOM 6095 H1 TIP3 1029 28.442 34.818 61.056 1.00 0.00 WT1 H ATOM 6096 H2 TIP3 1029 27.818 34.139 62.256 1.00 0.00 WT1 H ATOM 6097 OH2 TIP3 1030 41.476 4.112 -3.796 1.00 0.00 WT1 O ATOM 6098 H1 TIP3 1030 42.080 3.853 -4.491 1.00 0.00 WT1 H ATOM 6099 H2 TIP3 1030 41.239 5.015 -4.007 1.00 0.00 WT1 H ATOM 6100 OH2 TIP3 1031 65.917 31.317 32.949 1.00 0.00 WT1 O ATOM 6101 H1 TIP3 1031 65.424 30.608 33.362 1.00 0.00 WT1 H ATOM 6102 H2 TIP3 1031 66.568 30.872 32.406 1.00 0.00 WT1 H ATOM 6103 OH2 TIP3 1032 38.362 92.937 21.223 1.00 0.00 WT1 O ATOM 6104 H1 TIP3 1032 38.302 92.998 22.177 1.00 0.00 WT1 H ATOM 6105 H2 TIP3 1032 37.690 92.300 20.981 1.00 0.00 WT1 H ATOM 6106 OH2 TIP3 1033 54.164 86.394 -14.585 1.00 0.00 WT1 O ATOM 6107 H1 TIP3 1033 54.281 86.479 -13.638 1.00 0.00 WT1 H ATOM 6108 H2 TIP3 1033 55.034 86.167 -14.914 1.00 0.00 WT1 H ATOM 6109 OH2 TIP3 1034 29.542 40.999 44.977 1.00 0.00 WT1 O ATOM 6110 H1 TIP3 1034 30.163 40.741 44.296 1.00 0.00 WT1 H ATOM 6111 H2 TIP3 1034 29.327 41.910 44.774 1.00 0.00 WT1 H ATOM 6112 OH2 TIP3 1035 41.089 31.225 29.889 1.00 0.00 WT1 O ATOM 6113 H1 TIP3 1035 41.316 32.125 29.655 1.00 0.00 WT1 H ATOM 6114 H2 TIP3 1035 41.925 30.759 29.891 1.00 0.00 WT1 H ATOM 6115 OH2 TIP3 1036 75.919 56.482 18.680 1.00 0.00 WT1 O ATOM 6116 H1 TIP3 1036 75.509 56.128 19.469 1.00 0.00 WT1 H ATOM 6117 H2 TIP3 1036 76.700 56.935 18.999 1.00 0.00 WT1 H ATOM 6118 OH2 TIP3 1037 62.434 52.163 63.356 1.00 0.00 WT1 O ATOM 6119 H1 TIP3 1037 61.931 51.406 63.656 1.00 0.00 WT1 H ATOM 6120 H2 TIP3 1037 62.211 52.859 63.974 1.00 0.00 WT1 H ATOM 6121 OH2 TIP3 1038 35.763 52.035 45.461 1.00 0.00 WT1 O ATOM 6122 H1 TIP3 1038 35.602 52.979 45.459 1.00 0.00 WT1 H ATOM 6123 H2 TIP3 1038 36.717 51.954 45.431 1.00 0.00 WT1 H ATOM 6124 OH2 TIP3 1039 43.931 46.913 48.215 1.00 0.00 WT1 O ATOM 6125 H1 TIP3 1039 43.931 45.956 48.195 1.00 0.00 WT1 H ATOM 6126 H2 TIP3 1039 43.493 47.170 47.403 1.00 0.00 WT1 H ATOM 6127 OH2 TIP3 1040 57.112 9.341 8.303 1.00 0.00 WT1 O ATOM 6128 H1 TIP3 1040 57.376 8.438 8.483 1.00 0.00 WT1 H ATOM 6129 H2 TIP3 1040 56.785 9.668 9.141 1.00 0.00 WT1 H ATOM 6130 OH2 TIP3 1041 57.957 30.640 16.146 1.00 0.00 WT1 O ATOM 6131 H1 TIP3 1041 58.073 31.112 15.322 1.00 0.00 WT1 H ATOM 6132 H2 TIP3 1041 57.098 30.919 16.464 1.00 0.00 WT1 H ATOM 6133 OH2 TIP3 1042 70.404 38.000 33.053 1.00 0.00 WT1 O ATOM 6134 H1 TIP3 1042 70.661 38.376 32.211 1.00 0.00 WT1 H ATOM 6135 H2 TIP3 1042 70.339 38.752 33.642 1.00 0.00 WT1 H ATOM 6136 OH2 TIP3 1043 30.319 67.045 36.782 1.00 0.00 WT1 O ATOM 6137 H1 TIP3 1043 30.439 67.023 35.833 1.00 0.00 WT1 H ATOM 6138 H2 TIP3 1043 31.197 66.910 37.139 1.00 0.00 WT1 H ATOM 6139 OH2 TIP3 1044 30.367 89.513 30.436 1.00 0.00 WT1 O ATOM 6140 H1 TIP3 1044 30.642 89.619 29.525 1.00 0.00 WT1 H ATOM 6141 H2 TIP3 1044 29.877 88.690 30.445 1.00 0.00 WT1 H ATOM 6142 OH2 TIP3 1045 88.915 76.939 27.331 1.00 0.00 WT1 O ATOM 6143 H1 TIP3 1045 89.731 77.364 27.065 1.00 0.00 WT1 H ATOM 6144 H2 TIP3 1045 88.715 76.336 26.615 1.00 0.00 WT1 H ATOM 6145 OH2 TIP3 1046 39.964 20.336 44.931 1.00 0.00 WT1 O ATOM 6146 H1 TIP3 1046 40.644 20.839 44.484 1.00 0.00 WT1 H ATOM 6147 H2 TIP3 1046 39.205 20.391 44.350 1.00 0.00 WT1 H ATOM 6148 OH2 TIP3 1047 89.642 53.066 44.477 1.00 0.00 WT1 O ATOM 6149 H1 TIP3 1047 90.200 52.436 44.933 1.00 0.00 WT1 H ATOM 6150 H2 TIP3 1047 89.702 53.864 45.002 1.00 0.00 WT1 H ATOM 6151 OH2 TIP3 1048 89.126 54.606 21.062 1.00 0.00 WT1 O ATOM 6152 H1 TIP3 1048 89.281 53.736 20.694 1.00 0.00 WT1 H ATOM 6153 H2 TIP3 1048 88.217 54.803 20.836 1.00 0.00 WT1 H ATOM 6154 OH2 TIP3 1049 79.191 81.696 32.353 1.00 0.00 WT1 O ATOM 6155 H1 TIP3 1049 79.058 82.310 33.075 1.00 0.00 WT1 H ATOM 6156 H2 TIP3 1049 78.401 81.780 31.819 1.00 0.00 WT1 H ATOM 6157 OH2 TIP3 1050 74.111 46.430 11.497 1.00 0.00 WT1 O ATOM 6158 H1 TIP3 1050 74.345 47.357 11.539 1.00 0.00 WT1 H ATOM 6159 H2 TIP3 1050 74.564 46.033 12.242 1.00 0.00 WT1 H ATOM 6160 OH2 TIP3 1051 87.820 54.785 4.133 1.00 0.00 WT1 O ATOM 6161 H1 TIP3 1051 87.829 54.349 4.985 1.00 0.00 WT1 H ATOM 6162 H2 TIP3 1051 88.734 54.774 3.848 1.00 0.00 WT1 H ATOM 6163 OH2 TIP3 1052 25.094 52.924 -17.052 1.00 0.00 WT1 O ATOM 6164 H1 TIP3 1052 24.682 52.656 -16.231 1.00 0.00 WT1 H ATOM 6165 H2 TIP3 1052 24.373 53.262 -17.583 1.00 0.00 WT1 H ATOM 6166 OH2 TIP3 1053 20.004 19.853 9.193 1.00 0.00 WT1 O ATOM 6167 H1 TIP3 1053 20.180 19.268 9.931 1.00 0.00 WT1 H ATOM 6168 H2 TIP3 1053 20.865 20.184 8.939 1.00 0.00 WT1 H ATOM 6169 OH2 TIP3 1054 89.748 71.655 -16.191 1.00 0.00 WT1 O ATOM 6170 H1 TIP3 1054 90.184 71.252 -15.440 1.00 0.00 WT1 H ATOM 6171 H2 TIP3 1054 89.380 70.918 -16.678 1.00 0.00 WT1 H ATOM 6172 OH2 TIP3 1055 58.065 59.581 -14.414 1.00 0.00 WT1 O ATOM 6173 H1 TIP3 1055 58.205 59.451 -13.476 1.00 0.00 WT1 H ATOM 6174 H2 TIP3 1055 58.485 58.826 -14.826 1.00 0.00 WT1 H ATOM 6175 OH2 TIP3 1056 56.161 34.994 15.193 1.00 0.00 WT1 O ATOM 6176 H1 TIP3 1056 55.335 34.595 15.466 1.00 0.00 WT1 H ATOM 6177 H2 TIP3 1056 56.398 35.575 15.916 1.00 0.00 WT1 H ATOM 6178 OH2 TIP3 1057 70.780 45.422 4.333 1.00 0.00 WT1 O ATOM 6179 H1 TIP3 1057 70.307 44.888 4.971 1.00 0.00 WT1 H ATOM 6180 H2 TIP3 1057 70.113 46.003 3.965 1.00 0.00 WT1 H ATOM 6181 OH2 TIP3 1058 87.917 29.621 63.001 1.00 0.00 WT1 O ATOM 6182 H1 TIP3 1058 87.205 29.226 62.498 1.00 0.00 WT1 H ATOM 6183 H2 TIP3 1058 88.497 28.890 63.212 1.00 0.00 WT1 H ATOM 6184 OH2 TIP3 1059 36.035 31.979 11.942 1.00 0.00 WT1 O ATOM 6185 H1 TIP3 1059 36.275 32.839 11.597 1.00 0.00 WT1 H ATOM 6186 H2 TIP3 1059 36.607 31.855 12.700 1.00 0.00 WT1 H ATOM 6187 OH2 TIP3 1060 22.338 62.411 38.552 1.00 0.00 WT1 O ATOM 6188 H1 TIP3 1060 22.134 62.795 39.405 1.00 0.00 WT1 H ATOM 6189 H2 TIP3 1060 23.289 62.489 38.475 1.00 0.00 WT1 H ATOM 6190 OH2 TIP3 1061 29.702 3.517 25.520 1.00 0.00 WT1 O ATOM 6191 H1 TIP3 1061 28.815 3.174 25.412 1.00 0.00 WT1 H ATOM 6192 H2 TIP3 1061 29.835 4.083 24.760 1.00 0.00 WT1 H ATOM 6193 OH2 TIP3 1062 30.375 18.532 59.400 1.00 0.00 WT1 O ATOM 6194 H1 TIP3 1062 29.984 17.922 60.026 1.00 0.00 WT1 H ATOM 6195 H2 TIP3 1062 29.786 19.286 59.399 1.00 0.00 WT1 H ATOM 6196 OH2 TIP3 1063 57.781 58.228 66.042 1.00 0.00 WT1 O ATOM 6197 H1 TIP3 1063 57.869 58.115 66.989 1.00 0.00 WT1 H ATOM 6198 H2 TIP3 1063 56.901 57.909 65.843 1.00 0.00 WT1 H ATOM 6199 OH2 TIP3 1064 27.538 48.223 36.405 1.00 0.00 WT1 O ATOM 6200 H1 TIP3 1064 28.482 48.144 36.266 1.00 0.00 WT1 H ATOM 6201 H2 TIP3 1064 27.158 48.118 35.533 1.00 0.00 WT1 H ATOM 6202 OH2 TIP3 1065 26.674 57.405 33.292 1.00 0.00 WT1 O ATOM 6203 H1 TIP3 1065 27.602 57.449 33.061 1.00 0.00 WT1 H ATOM 6204 H2 TIP3 1065 26.238 57.140 32.482 1.00 0.00 WT1 H ATOM 6205 OH2 TIP3 1066 32.695 57.598 0.451 1.00 0.00 WT1 O ATOM 6206 H1 TIP3 1066 33.594 57.826 0.691 1.00 0.00 WT1 H ATOM 6207 H2 TIP3 1066 32.233 57.533 1.286 1.00 0.00 WT1 H ATOM 6208 OH2 TIP3 1067 55.886 25.810 4.636 1.00 0.00 WT1 O ATOM 6209 H1 TIP3 1067 56.667 26.281 4.925 1.00 0.00 WT1 H ATOM 6210 H2 TIP3 1067 55.179 26.452 4.708 1.00 0.00 WT1 H ATOM 6211 OH2 TIP3 1068 81.179 25.541 58.388 1.00 0.00 WT1 O ATOM 6212 H1 TIP3 1068 80.795 25.229 59.207 1.00 0.00 WT1 H ATOM 6213 H2 TIP3 1068 80.989 24.849 57.755 1.00 0.00 WT1 H ATOM 6214 OH2 TIP3 1069 42.414 48.576 46.140 1.00 0.00 WT1 O ATOM 6215 H1 TIP3 1069 42.798 49.349 45.726 1.00 0.00 WT1 H ATOM 6216 H2 TIP3 1069 41.885 48.926 46.857 1.00 0.00 WT1 H ATOM 6217 OH2 TIP3 1070 60.641 1.635 -2.292 1.00 0.00 WT1 O ATOM 6218 H1 TIP3 1070 61.579 1.628 -2.101 1.00 0.00 WT1 H ATOM 6219 H2 TIP3 1070 60.238 1.218 -1.531 1.00 0.00 WT1 H ATOM 6220 OH2 TIP3 1071 46.085 10.180 -17.033 1.00 0.00 WT1 O ATOM 6221 H1 TIP3 1071 46.783 10.636 -16.563 1.00 0.00 WT1 H ATOM 6222 H2 TIP3 1071 45.403 10.841 -17.151 1.00 0.00 WT1 H ATOM 6223 OH2 TIP3 1072 37.759 15.330 -3.323 1.00 0.00 WT1 O ATOM 6224 H1 TIP3 1072 37.181 16.012 -2.980 1.00 0.00 WT1 H ATOM 6225 H2 TIP3 1072 37.284 14.967 -4.071 1.00 0.00 WT1 H ATOM 6226 OH2 TIP3 1073 39.356 32.295 54.532 1.00 0.00 WT1 O ATOM 6227 H1 TIP3 1073 39.968 32.956 54.210 1.00 0.00 WT1 H ATOM 6228 H2 TIP3 1073 38.926 31.962 53.744 1.00 0.00 WT1 H ATOM 6229 OH2 TIP3 1074 76.510 32.269 65.312 1.00 0.00 WT1 O ATOM 6230 H1 TIP3 1074 75.771 32.590 64.796 1.00 0.00 WT1 H ATOM 6231 H2 TIP3 1074 77.163 32.011 64.661 1.00 0.00 WT1 H ATOM 6232 OH2 TIP3 1076 25.773 63.273 3.148 1.00 0.00 WT1 O ATOM 6233 H1 TIP3 1076 26.195 62.473 2.833 1.00 0.00 WT1 H ATOM 6234 H2 TIP3 1076 26.420 63.962 2.996 1.00 0.00 WT1 H ATOM 6235 OH2 TIP3 1077 71.739 15.937 -18.170 1.00 0.00 WT1 O ATOM 6236 H1 TIP3 1077 72.420 15.833 -18.835 1.00 0.00 WT1 H ATOM 6237 H2 TIP3 1077 71.088 16.506 -18.581 1.00 0.00 WT1 H ATOM 6238 OH2 TIP3 1078 48.565 68.512 -2.081 1.00 0.00 WT1 O ATOM 6239 H1 TIP3 1078 49.150 67.966 -1.556 1.00 0.00 WT1 H ATOM 6240 H2 TIP3 1078 48.358 69.256 -1.515 1.00 0.00 WT1 H ATOM 6241 OH2 TIP3 1080 49.823 56.090 7.217 1.00 0.00 WT1 O ATOM 6242 H1 TIP3 1080 49.690 56.556 8.043 1.00 0.00 WT1 H ATOM 6243 H2 TIP3 1080 50.726 56.291 6.971 1.00 0.00 WT1 H ATOM 6244 OH2 TIP3 1081 70.149 60.193 -2.872 1.00 0.00 WT1 O ATOM 6245 H1 TIP3 1081 69.637 60.291 -2.069 1.00 0.00 WT1 H ATOM 6246 H2 TIP3 1081 70.261 59.248 -2.970 1.00 0.00 WT1 H ATOM 6247 OH2 TIP3 1084 21.754 20.770 14.116 1.00 0.00 WT1 O ATOM 6248 H1 TIP3 1084 22.540 20.864 14.654 1.00 0.00 WT1 H ATOM 6249 H2 TIP3 1084 22.031 21.033 13.238 1.00 0.00 WT1 H ATOM 6250 OH2 TIP3 1085 83.312 38.983 17.350 1.00 0.00 WT1 O ATOM 6251 H1 TIP3 1085 82.990 38.262 17.892 1.00 0.00 WT1 H ATOM 6252 H2 TIP3 1085 83.164 39.766 17.881 1.00 0.00 WT1 H ATOM 6253 OH2 TIP3 1086 31.126 38.504 57.725 1.00 0.00 WT1 O ATOM 6254 H1 TIP3 1086 31.169 37.572 57.937 1.00 0.00 WT1 H ATOM 6255 H2 TIP3 1086 31.472 38.565 56.835 1.00 0.00 WT1 H ATOM 6256 OH2 TIP3 1087 58.898 28.068 43.971 1.00 0.00 WT1 O ATOM 6257 H1 TIP3 1087 58.411 28.849 43.708 1.00 0.00 WT1 H ATOM 6258 H2 TIP3 1087 59.523 27.924 43.261 1.00 0.00 WT1 H ATOM 6259 OH2 TIP3 1088 40.913 22.752 50.540 1.00 0.00 WT1 O ATOM 6260 H1 TIP3 1088 41.650 23.362 50.524 1.00 0.00 WT1 H ATOM 6261 H2 TIP3 1088 40.191 23.236 50.139 1.00 0.00 WT1 H ATOM 6262 OH2 TIP3 1089 72.810 65.310 55.170 1.00 0.00 WT1 O ATOM 6263 H1 TIP3 1089 71.937 65.635 55.391 1.00 0.00 WT1 H ATOM 6264 H2 TIP3 1089 72.905 65.494 54.235 1.00 0.00 WT1 H ATOM 6265 OH2 TIP3 1090 44.297 16.115 51.776 1.00 0.00 WT1 O ATOM 6266 H1 TIP3 1090 44.706 16.190 52.638 1.00 0.00 WT1 H ATOM 6267 H2 TIP3 1090 44.188 17.019 51.482 1.00 0.00 WT1 H ATOM 6268 OH2 TIP3 1091 32.985 41.921 22.566 1.00 0.00 WT1 O ATOM 6269 H1 TIP3 1091 33.147 42.799 22.219 1.00 0.00 WT1 H ATOM 6270 H2 TIP3 1091 32.714 41.409 21.805 1.00 0.00 WT1 H ATOM 6271 OH2 TIP3 1092 82.141 91.061 49.094 1.00 0.00 WT1 O ATOM 6272 H1 TIP3 1092 82.032 90.933 48.151 1.00 0.00 WT1 H ATOM 6273 H2 TIP3 1092 82.466 91.958 49.178 1.00 0.00 WT1 H ATOM 6274 OH2 TIP3 1093 50.329 44.014 12.537 1.00 0.00 WT1 O ATOM 6275 H1 TIP3 1093 49.722 44.631 12.127 1.00 0.00 WT1 H ATOM 6276 H2 TIP3 1093 50.274 44.209 13.472 1.00 0.00 WT1 H ATOM 6277 OH2 TIP3 1094 76.637 12.273 -17.515 1.00 0.00 WT1 O ATOM 6278 H1 TIP3 1094 75.747 12.577 -17.336 1.00 0.00 WT1 H ATOM 6279 H2 TIP3 1094 76.713 11.454 -17.025 1.00 0.00 WT1 H ATOM 6280 OH2 TIP3 1095 21.471 48.056 -6.255 1.00 0.00 WT1 O ATOM 6281 H1 TIP3 1095 21.574 47.214 -5.813 1.00 0.00 WT1 H ATOM 6282 H2 TIP3 1095 20.718 48.462 -5.826 1.00 0.00 WT1 H ATOM 6283 OH2 TIP3 1096 51.982 67.374 44.376 1.00 0.00 WT1 O ATOM 6284 H1 TIP3 1096 51.933 66.868 43.565 1.00 0.00 WT1 H ATOM 6285 H2 TIP3 1096 51.196 67.921 44.365 1.00 0.00 WT1 H ATOM 6286 OH2 TIP3 1097 34.094 34.844 43.821 1.00 0.00 WT1 O ATOM 6287 H1 TIP3 1097 33.907 34.346 43.025 1.00 0.00 WT1 H ATOM 6288 H2 TIP3 1097 35.048 34.822 43.899 1.00 0.00 WT1 H ATOM 6289 OH2 TIP3 1098 75.175 11.469 54.981 1.00 0.00 WT1 O ATOM 6290 H1 TIP3 1098 75.938 11.066 54.568 1.00 0.00 WT1 H ATOM 6291 H2 TIP3 1098 74.437 10.926 54.704 1.00 0.00 WT1 H ATOM 6292 OH2 TIP3 1099 24.846 9.579 4.183 1.00 0.00 WT1 O ATOM 6293 H1 TIP3 1099 24.569 10.493 4.119 1.00 0.00 WT1 H ATOM 6294 H2 TIP3 1099 25.432 9.453 3.437 1.00 0.00 WT1 H ATOM 6295 OH2 TIP3 1100 33.457 6.591 -1.990 1.00 0.00 WT1 O ATOM 6296 H1 TIP3 1100 33.327 6.100 -1.178 1.00 0.00 WT1 H ATOM 6297 H2 TIP3 1100 33.671 7.478 -1.701 1.00 0.00 WT1 H ATOM 6298 OH2 TIP3 1101 56.040 50.790 -19.286 1.00 0.00 WT1 O ATOM 6299 H1 TIP3 1101 56.185 50.380 -18.434 1.00 0.00 WT1 H ATOM 6300 H2 TIP3 1101 55.701 50.085 -19.837 1.00 0.00 WT1 H ATOM 6301 OH2 TIP3 1102 45.557 94.700 -1.637 1.00 0.00 WT1 O ATOM 6302 H1 TIP3 1102 45.285 93.819 -1.895 1.00 0.00 WT1 H ATOM 6303 H2 TIP3 1102 44.837 95.265 -1.918 1.00 0.00 WT1 H ATOM 6304 OH2 TIP3 1103 39.151 68.955 27.345 1.00 0.00 WT1 O ATOM 6305 H1 TIP3 1103 39.047 68.047 27.631 1.00 0.00 WT1 H ATOM 6306 H2 TIP3 1103 39.972 68.959 26.853 1.00 0.00 WT1 H ATOM 6307 OH2 TIP3 1104 36.428 68.201 64.995 1.00 0.00 WT1 O ATOM 6308 H1 TIP3 1104 36.448 67.709 64.174 1.00 0.00 WT1 H ATOM 6309 H2 TIP3 1104 36.695 69.087 64.750 1.00 0.00 WT1 H ATOM 6310 OH2 TIP3 1105 64.607 29.358 34.364 1.00 0.00 WT1 O ATOM 6311 H1 TIP3 1105 63.830 29.144 33.848 1.00 0.00 WT1 H ATOM 6312 H2 TIP3 1105 64.392 29.072 35.252 1.00 0.00 WT1 H ATOM 6313 OH2 TIP3 1106 77.452 20.843 66.901 1.00 0.00 WT1 O ATOM 6314 H1 TIP3 1106 77.497 21.390 67.685 1.00 0.00 WT1 H ATOM 6315 H2 TIP3 1106 77.145 21.433 66.213 1.00 0.00 WT1 H ATOM 6316 OH2 TIP3 1107 89.628 65.889 19.718 1.00 0.00 WT1 O ATOM 6317 H1 TIP3 1107 89.186 65.422 19.009 1.00 0.00 WT1 H ATOM 6318 H2 TIP3 1107 89.811 65.214 20.372 1.00 0.00 WT1 H ATOM 6319 OH2 TIP3 1108 87.545 12.657 38.580 1.00 0.00 WT1 O ATOM 6320 H1 TIP3 1108 88.417 12.663 38.185 1.00 0.00 WT1 H ATOM 6321 H2 TIP3 1108 87.541 13.416 39.164 1.00 0.00 WT1 H ATOM 6322 OH2 TIP3 1109 75.992 17.727 43.202 1.00 0.00 WT1 O ATOM 6323 H1 TIP3 1109 75.377 17.920 42.494 1.00 0.00 WT1 H ATOM 6324 H2 TIP3 1109 75.461 17.758 43.997 1.00 0.00 WT1 H ATOM 6325 OH2 TIP3 1110 36.960 95.587 47.633 1.00 0.00 WT1 O ATOM 6326 H1 TIP3 1110 37.486 96.281 48.030 1.00 0.00 WT1 H ATOM 6327 H2 TIP3 1110 37.501 95.254 46.917 1.00 0.00 WT1 H ATOM 6328 OH2 TIP3 1111 24.889 41.778 44.474 1.00 0.00 WT1 O ATOM 6329 H1 TIP3 1111 24.529 42.376 43.819 1.00 0.00 WT1 H ATOM 6330 H2 TIP3 1111 25.022 40.956 44.002 1.00 0.00 WT1 H ATOM 6331 OH2 TIP3 1112 52.622 85.604 -19.488 1.00 0.00 WT1 O ATOM 6332 H1 TIP3 1112 52.011 85.798 -18.776 1.00 0.00 WT1 H ATOM 6333 H2 TIP3 1112 53.456 85.970 -19.194 1.00 0.00 WT1 H ATOM 6334 OH2 TIP3 1113 45.239 25.927 58.954 1.00 0.00 WT1 O ATOM 6335 H1 TIP3 1113 45.281 25.819 58.004 1.00 0.00 WT1 H ATOM 6336 H2 TIP3 1113 46.099 25.643 59.266 1.00 0.00 WT1 H ATOM 6337 OH2 TIP3 1114 53.903 40.385 -19.404 1.00 0.00 WT1 O ATOM 6338 H1 TIP3 1114 54.334 39.976 -18.653 1.00 0.00 WT1 H ATOM 6339 H2 TIP3 1114 54.608 40.832 -19.871 1.00 0.00 WT1 H ATOM 6340 OH2 TIP3 1115 32.815 96.211 31.346 1.00 0.00 WT1 O ATOM 6341 H1 TIP3 1115 33.049 95.434 31.853 1.00 0.00 WT1 H ATOM 6342 H2 TIP3 1115 31.993 96.512 31.733 1.00 0.00 WT1 H ATOM 6343 OH2 TIP3 1116 80.039 43.535 47.345 1.00 0.00 WT1 O ATOM 6344 H1 TIP3 1116 79.569 44.334 47.109 1.00 0.00 WT1 H ATOM 6345 H2 TIP3 1116 79.620 43.241 48.154 1.00 0.00 WT1 H ATOM 6346 OH2 TIP3 1117 45.295 7.436 30.676 1.00 0.00 WT1 O ATOM 6347 H1 TIP3 1117 45.278 7.051 31.552 1.00 0.00 WT1 H ATOM 6348 H2 TIP3 1117 45.900 6.882 30.182 1.00 0.00 WT1 H ATOM 6349 OH2 TIP3 1118 67.384 43.125 54.458 1.00 0.00 WT1 O ATOM 6350 H1 TIP3 1118 67.590 42.544 55.189 1.00 0.00 WT1 H ATOM 6351 H2 TIP3 1118 66.799 43.784 54.833 1.00 0.00 WT1 H ATOM 6352 OH2 TIP3 1119 41.932 9.833 1.265 1.00 0.00 WT1 O ATOM 6353 H1 TIP3 1119 42.861 9.835 1.497 1.00 0.00 WT1 H ATOM 6354 H2 TIP3 1119 41.669 10.751 1.322 1.00 0.00 WT1 H ATOM 6355 OH2 TIP3 1120 72.949 2.848 47.627 1.00 0.00 WT1 O ATOM 6356 H1 TIP3 1120 72.767 2.544 46.738 1.00 0.00 WT1 H ATOM 6357 H2 TIP3 1120 73.905 2.889 47.675 1.00 0.00 WT1 H ATOM 6358 OH2 TIP3 1121 86.425 25.399 60.080 1.00 0.00 WT1 O ATOM 6359 H1 TIP3 1121 86.869 25.757 59.311 1.00 0.00 WT1 H ATOM 6360 H2 TIP3 1121 85.520 25.270 59.796 1.00 0.00 WT1 H ATOM 6361 OH2 TIP3 1122 58.317 82.498 -1.939 1.00 0.00 WT1 O ATOM 6362 H1 TIP3 1122 57.454 82.906 -1.875 1.00 0.00 WT1 H ATOM 6363 H2 TIP3 1122 58.280 81.758 -1.332 1.00 0.00 WT1 H ATOM 6364 OH2 TIP3 1123 88.099 40.281 0.601 1.00 0.00 WT1 O ATOM 6365 H1 TIP3 1123 87.824 39.580 1.191 1.00 0.00 WT1 H ATOM 6366 H2 TIP3 1123 87.621 40.113 -0.211 1.00 0.00 WT1 H ATOM 6367 OH2 TIP3 1124 60.462 11.880 45.847 1.00 0.00 WT1 O ATOM 6368 H1 TIP3 1124 60.766 11.818 44.942 1.00 0.00 WT1 H ATOM 6369 H2 TIP3 1124 60.290 10.974 46.105 1.00 0.00 WT1 H ATOM 6370 OH2 TIP3 1125 84.673 57.693 42.599 1.00 0.00 WT1 O ATOM 6371 H1 TIP3 1125 85.367 58.302 42.346 1.00 0.00 WT1 H ATOM 6372 H2 TIP3 1125 83.885 58.234 42.648 1.00 0.00 WT1 H ATOM 6373 OH2 TIP3 1126 27.612 91.938 -15.340 1.00 0.00 WT1 O ATOM 6374 H1 TIP3 1126 28.391 91.437 -15.580 1.00 0.00 WT1 H ATOM 6375 H2 TIP3 1126 27.187 92.136 -16.174 1.00 0.00 WT1 H ATOM 6376 OH2 TIP3 1129 77.325 21.640 -8.208 1.00 0.00 WT1 O ATOM 6377 H1 TIP3 1129 76.694 21.037 -7.814 1.00 0.00 WT1 H ATOM 6378 H2 TIP3 1129 77.983 21.777 -7.526 1.00 0.00 WT1 H ATOM 6379 OH2 TIP3 1130 72.452 14.268 43.759 1.00 0.00 WT1 O ATOM 6380 H1 TIP3 1130 71.687 14.177 43.190 1.00 0.00 WT1 H ATOM 6381 H2 TIP3 1130 72.087 14.337 44.642 1.00 0.00 WT1 H ATOM 6382 OH2 TIP3 1131 57.749 16.158 -18.410 1.00 0.00 WT1 O ATOM 6383 H1 TIP3 1131 57.705 16.409 -17.488 1.00 0.00 WT1 H ATOM 6384 H2 TIP3 1131 58.088 15.263 -18.400 1.00 0.00 WT1 H ATOM 6385 OH2 TIP3 1132 48.271 46.325 43.987 1.00 0.00 WT1 O ATOM 6386 H1 TIP3 1132 48.405 46.585 43.076 1.00 0.00 WT1 H ATOM 6387 H2 TIP3 1132 47.639 46.959 44.327 1.00 0.00 WT1 H ATOM 6388 OH2 TIP3 1133 47.051 32.328 41.417 1.00 0.00 WT1 O ATOM 6389 H1 TIP3 1133 46.194 32.672 41.668 1.00 0.00 WT1 H ATOM 6390 H2 TIP3 1133 47.442 33.022 40.887 1.00 0.00 WT1 H ATOM 6391 OH2 TIP3 1134 88.536 53.680 -14.157 1.00 0.00 WT1 O ATOM 6392 H1 TIP3 1134 88.647 52.771 -14.436 1.00 0.00 WT1 H ATOM 6393 H2 TIP3 1134 89.380 54.092 -14.341 1.00 0.00 WT1 H ATOM 6394 OH2 TIP3 1135 49.259 77.151 13.894 1.00 0.00 WT1 O ATOM 6395 H1 TIP3 1135 49.995 76.649 14.243 1.00 0.00 WT1 H ATOM 6396 H2 TIP3 1135 48.875 77.578 14.661 1.00 0.00 WT1 H ATOM 6397 OH2 TIP3 1136 22.276 71.761 54.513 1.00 0.00 WT1 O ATOM 6398 H1 TIP3 1136 23.118 71.943 54.929 1.00 0.00 WT1 H ATOM 6399 H2 TIP3 1136 22.295 72.268 53.701 1.00 0.00 WT1 H ATOM 6400 OH2 TIP3 1137 71.421 66.017 -13.368 1.00 0.00 WT1 O ATOM 6401 H1 TIP3 1137 70.714 66.262 -12.771 1.00 0.00 WT1 H ATOM 6402 H2 TIP3 1137 71.080 66.220 -14.239 1.00 0.00 WT1 H ATOM 6403 OH2 TIP3 1139 41.636 42.685 16.989 1.00 0.00 WT1 O ATOM 6404 H1 TIP3 1139 42.035 43.529 17.200 1.00 0.00 WT1 H ATOM 6405 H2 TIP3 1139 41.571 42.234 17.831 1.00 0.00 WT1 H ATOM 6406 OH2 TIP3 1140 47.042 69.145 59.460 1.00 0.00 WT1 O ATOM 6407 H1 TIP3 1140 47.834 68.649 59.255 1.00 0.00 WT1 H ATOM 6408 H2 TIP3 1140 46.671 69.370 58.606 1.00 0.00 WT1 H ATOM 6409 OH2 TIP3 1141 53.458 12.025 -14.760 1.00 0.00 WT1 O ATOM 6410 H1 TIP3 1141 54.166 11.517 -15.156 1.00 0.00 WT1 H ATOM 6411 H2 TIP3 1141 52.755 12.003 -15.410 1.00 0.00 WT1 H ATOM 6412 OH2 TIP3 1142 62.090 17.118 45.903 1.00 0.00 WT1 O ATOM 6413 H1 TIP3 1142 61.614 17.923 45.699 1.00 0.00 WT1 H ATOM 6414 H2 TIP3 1142 62.221 16.694 45.055 1.00 0.00 WT1 H ATOM 6415 OH2 TIP3 1143 53.947 66.059 65.089 1.00 0.00 WT1 O ATOM 6416 H1 TIP3 1143 52.998 66.122 65.196 1.00 0.00 WT1 H ATOM 6417 H2 TIP3 1143 54.218 66.939 64.829 1.00 0.00 WT1 H ATOM 6418 OH2 TIP3 1144 89.575 77.861 49.448 1.00 0.00 WT1 O ATOM 6419 H1 TIP3 1144 89.165 77.613 50.276 1.00 0.00 WT1 H ATOM 6420 H2 TIP3 1144 89.358 78.787 49.340 1.00 0.00 WT1 H ATOM 6421 OH2 TIP3 1146 23.041 40.537 9.895 1.00 0.00 WT1 O ATOM 6422 H1 TIP3 1146 22.718 40.212 10.735 1.00 0.00 WT1 H ATOM 6423 H2 TIP3 1146 23.968 40.720 10.049 1.00 0.00 WT1 H ATOM 6424 OH2 TIP3 1147 34.041 45.540 -2.138 1.00 0.00 WT1 O ATOM 6425 H1 TIP3 1147 34.234 45.674 -3.066 1.00 0.00 WT1 H ATOM 6426 H2 TIP3 1147 34.874 45.699 -1.694 1.00 0.00 WT1 H ATOM 6427 OH2 TIP3 1148 64.218 52.365 36.179 1.00 0.00 WT1 O ATOM 6428 H1 TIP3 1148 63.357 52.626 36.506 1.00 0.00 WT1 H ATOM 6429 H2 TIP3 1148 64.340 52.882 35.383 1.00 0.00 WT1 H ATOM 6430 OH2 TIP3 1149 62.253 94.052 -4.440 1.00 0.00 WT1 O ATOM 6431 H1 TIP3 1149 61.390 93.755 -4.153 1.00 0.00 WT1 H ATOM 6432 H2 TIP3 1149 62.086 94.887 -4.877 1.00 0.00 WT1 H ATOM 6433 OH2 TIP3 1151 65.787 17.018 34.823 1.00 0.00 WT1 O ATOM 6434 H1 TIP3 1151 66.563 17.206 34.296 1.00 0.00 WT1 H ATOM 6435 H2 TIP3 1151 65.391 17.875 34.981 1.00 0.00 WT1 H ATOM 6436 OH2 TIP3 1152 23.627 34.705 3.206 1.00 0.00 WT1 O ATOM 6437 H1 TIP3 1152 23.820 33.788 3.400 1.00 0.00 WT1 H ATOM 6438 H2 TIP3 1152 24.482 35.101 3.039 1.00 0.00 WT1 H ATOM 6439 OH2 TIP3 1153 37.841 45.467 50.165 1.00 0.00 WT1 O ATOM 6440 H1 TIP3 1153 37.191 45.934 49.639 1.00 0.00 WT1 H ATOM 6441 H2 TIP3 1153 37.731 45.816 51.049 1.00 0.00 WT1 H ATOM 6442 OH2 TIP3 1154 70.416 95.164 -4.639 1.00 0.00 WT1 O ATOM 6443 H1 TIP3 1154 71.269 94.834 -4.354 1.00 0.00 WT1 H ATOM 6444 H2 TIP3 1154 69.787 94.735 -4.059 1.00 0.00 WT1 H ATOM 6445 OH2 TIP3 1155 81.744 61.104 12.629 1.00 0.00 WT1 O ATOM 6446 H1 TIP3 1155 81.028 60.940 12.016 1.00 0.00 WT1 H ATOM 6447 H2 TIP3 1155 81.606 60.472 13.335 1.00 0.00 WT1 H ATOM 6448 OH2 TIP3 1156 38.513 30.869 8.481 1.00 0.00 WT1 O ATOM 6449 H1 TIP3 1156 38.693 31.808 8.434 1.00 0.00 WT1 H ATOM 6450 H2 TIP3 1156 38.322 30.706 9.404 1.00 0.00 WT1 H ATOM 6451 OH2 TIP3 1157 45.607 3.675 -3.827 1.00 0.00 WT1 O ATOM 6452 H1 TIP3 1157 45.153 3.791 -2.992 1.00 0.00 WT1 H ATOM 6453 H2 TIP3 1157 45.268 2.849 -4.172 1.00 0.00 WT1 H ATOM 6454 OH2 TIP3 1158 49.115 77.992 -7.953 1.00 0.00 WT1 O ATOM 6455 H1 TIP3 1158 48.285 78.366 -8.247 1.00 0.00 WT1 H ATOM 6456 H2 TIP3 1158 49.030 77.054 -8.125 1.00 0.00 WT1 H ATOM 6457 OH2 TIP3 1159 29.626 60.315 19.340 1.00 0.00 WT1 O ATOM 6458 H1 TIP3 1159 29.486 60.678 20.214 1.00 0.00 WT1 H ATOM 6459 H2 TIP3 1159 29.773 61.079 18.783 1.00 0.00 WT1 H ATOM 6460 OH2 TIP3 1160 47.878 37.312 25.530 1.00 0.00 WT1 O ATOM 6461 H1 TIP3 1160 48.674 36.951 25.140 1.00 0.00 WT1 H ATOM 6462 H2 TIP3 1160 47.312 36.552 25.667 1.00 0.00 WT1 H ATOM 6463 OH2 TIP3 1161 74.889 87.466 65.226 1.00 0.00 WT1 O ATOM 6464 H1 TIP3 1161 74.737 88.268 64.727 1.00 0.00 WT1 H ATOM 6465 H2 TIP3 1161 75.620 87.040 64.780 1.00 0.00 WT1 H ATOM 6466 OH2 TIP3 1162 53.820 65.821 23.912 1.00 0.00 WT1 O ATOM 6467 H1 TIP3 1162 54.264 64.973 23.931 1.00 0.00 WT1 H ATOM 6468 H2 TIP3 1162 54.380 66.372 23.365 1.00 0.00 WT1 H ATOM 6469 OH2 TIP3 1163 56.644 19.313 56.149 1.00 0.00 WT1 O ATOM 6470 H1 TIP3 1163 57.466 19.536 56.587 1.00 0.00 WT1 H ATOM 6471 H2 TIP3 1163 56.148 20.132 56.138 1.00 0.00 WT1 H ATOM 6472 OH2 TIP3 1164 60.491 30.972 -15.202 1.00 0.00 WT1 O ATOM 6473 H1 TIP3 1164 60.043 31.594 -15.774 1.00 0.00 WT1 H ATOM 6474 H2 TIP3 1164 60.026 31.035 -14.368 1.00 0.00 WT1 H ATOM 6475 OH2 TIP3 1165 68.436 22.283 -7.796 1.00 0.00 WT1 O ATOM 6476 H1 TIP3 1165 68.866 22.339 -6.943 1.00 0.00 WT1 H ATOM 6477 H2 TIP3 1165 69.094 22.598 -8.417 1.00 0.00 WT1 H ATOM 6478 OH2 TIP3 1166 58.822 35.273 13.072 1.00 0.00 WT1 O ATOM 6479 H1 TIP3 1166 58.714 35.727 13.908 1.00 0.00 WT1 H ATOM 6480 H2 TIP3 1166 58.654 35.944 12.411 1.00 0.00 WT1 H ATOM 6481 OH2 TIP3 1167 36.643 92.942 25.509 1.00 0.00 WT1 O ATOM 6482 H1 TIP3 1167 36.586 93.041 26.460 1.00 0.00 WT1 H ATOM 6483 H2 TIP3 1167 36.344 93.782 25.162 1.00 0.00 WT1 H ATOM 6484 OH2 TIP3 1168 89.928 74.322 32.419 1.00 0.00 WT1 O ATOM 6485 H1 TIP3 1168 89.065 73.940 32.580 1.00 0.00 WT1 H ATOM 6486 H2 TIP3 1168 89.872 75.204 32.786 1.00 0.00 WT1 H ATOM 6487 OH2 TIP3 1169 31.012 69.870 -1.552 1.00 0.00 WT1 O ATOM 6488 H1 TIP3 1169 31.389 70.438 -0.880 1.00 0.00 WT1 H ATOM 6489 H2 TIP3 1169 30.600 69.159 -1.062 1.00 0.00 WT1 H ATOM 6490 OH2 TIP3 1170 39.335 37.582 50.220 1.00 0.00 WT1 O ATOM 6491 H1 TIP3 1170 40.050 36.955 50.329 1.00 0.00 WT1 H ATOM 6492 H2 TIP3 1170 39.756 38.370 49.877 1.00 0.00 WT1 H ATOM 6493 OH2 TIP3 1171 25.754 88.732 26.930 1.00 0.00 WT1 O ATOM 6494 H1 TIP3 1171 26.386 88.728 27.650 1.00 0.00 WT1 H ATOM 6495 H2 TIP3 1171 24.935 88.438 27.329 1.00 0.00 WT1 H ATOM 6496 OH2 TIP3 1172 28.555 50.893 34.308 1.00 0.00 WT1 O ATOM 6497 H1 TIP3 1172 28.220 51.208 35.148 1.00 0.00 WT1 H ATOM 6498 H2 TIP3 1172 29.355 50.418 34.532 1.00 0.00 WT1 H ATOM 6499 OH2 TIP3 1173 45.689 45.340 41.001 1.00 0.00 WT1 O ATOM 6500 H1 TIP3 1173 45.201 45.765 41.706 1.00 0.00 WT1 H ATOM 6501 H2 TIP3 1173 46.241 44.697 41.445 1.00 0.00 WT1 H ATOM 6502 OH2 TIP3 1174 45.352 53.787 6.909 1.00 0.00 WT1 O ATOM 6503 H1 TIP3 1174 45.525 54.162 7.772 1.00 0.00 WT1 H ATOM 6504 H2 TIP3 1174 46.191 53.418 6.634 1.00 0.00 WT1 H ATOM 6505 OH2 TIP3 1175 83.369 75.750 17.885 1.00 0.00 WT1 O ATOM 6506 H1 TIP3 1175 83.073 75.475 17.017 1.00 0.00 WT1 H ATOM 6507 H2 TIP3 1175 82.853 75.221 18.494 1.00 0.00 WT1 H ATOM 6508 OH2 TIP3 1176 29.848 60.882 38.939 1.00 0.00 WT1 O ATOM 6509 H1 TIP3 1176 29.770 61.367 38.118 1.00 0.00 WT1 H ATOM 6510 H2 TIP3 1176 28.964 60.557 39.110 1.00 0.00 WT1 H ATOM 6511 OH2 TIP3 1177 71.168 45.712 52.126 1.00 0.00 WT1 O ATOM 6512 H1 TIP3 1177 71.880 45.394 51.570 1.00 0.00 WT1 H ATOM 6513 H2 TIP3 1177 70.377 45.569 51.607 1.00 0.00 WT1 H ATOM 6514 OH2 TIP3 1178 31.775 93.862 35.788 1.00 0.00 WT1 O ATOM 6515 H1 TIP3 1178 31.598 93.086 35.256 1.00 0.00 WT1 H ATOM 6516 H2 TIP3 1178 32.503 94.296 35.344 1.00 0.00 WT1 H ATOM 6517 OH2 TIP3 1179 22.759 53.196 50.929 1.00 0.00 WT1 O ATOM 6518 H1 TIP3 1179 23.293 53.806 51.438 1.00 0.00 WT1 H ATOM 6519 H2 TIP3 1179 22.630 53.635 50.088 1.00 0.00 WT1 H ATOM 6520 OH2 TIP3 1180 52.218 19.435 39.933 1.00 0.00 WT1 O ATOM 6521 H1 TIP3 1180 51.309 19.241 40.163 1.00 0.00 WT1 H ATOM 6522 H2 TIP3 1180 52.667 19.514 40.775 1.00 0.00 WT1 H ATOM 6523 OH2 TIP3 1181 88.778 79.446 41.631 1.00 0.00 WT1 O ATOM 6524 H1 TIP3 1181 88.603 79.685 40.720 1.00 0.00 WT1 H ATOM 6525 H2 TIP3 1181 88.305 80.100 42.145 1.00 0.00 WT1 H ATOM 6526 OH2 TIP3 1182 84.058 56.912 48.796 1.00 0.00 WT1 O ATOM 6527 H1 TIP3 1182 84.213 57.019 47.857 1.00 0.00 WT1 H ATOM 6528 H2 TIP3 1182 83.672 56.040 48.877 1.00 0.00 WT1 H ATOM 6529 OH2 TIP3 1183 83.863 73.441 66.540 1.00 0.00 WT1 O ATOM 6530 H1 TIP3 1183 83.814 74.079 65.828 1.00 0.00 WT1 H ATOM 6531 H2 TIP3 1183 83.114 72.862 66.395 1.00 0.00 WT1 H ATOM 6532 OH2 TIP3 1184 74.842 95.699 34.967 1.00 0.00 WT1 O ATOM 6533 H1 TIP3 1184 74.164 95.992 35.576 1.00 0.00 WT1 H ATOM 6534 H2 TIP3 1184 74.384 95.591 34.133 1.00 0.00 WT1 H ATOM 6535 OH2 TIP3 1185 55.311 79.578 48.031 1.00 0.00 WT1 O ATOM 6536 H1 TIP3 1185 55.513 78.828 48.592 1.00 0.00 WT1 H ATOM 6537 H2 TIP3 1185 55.181 79.199 47.162 1.00 0.00 WT1 H ATOM 6538 OH2 TIP3 1186 85.755 10.258 -8.500 1.00 0.00 WT1 O ATOM 6539 H1 TIP3 1186 86.019 11.041 -8.981 1.00 0.00 WT1 H ATOM 6540 H2 TIP3 1186 85.545 9.618 -9.180 1.00 0.00 WT1 H ATOM 6541 OH2 TIP3 1188 78.418 87.112 -8.105 1.00 0.00 WT1 O ATOM 6542 H1 TIP3 1188 78.958 86.513 -7.589 1.00 0.00 WT1 H ATOM 6543 H2 TIP3 1188 78.450 87.939 -7.625 1.00 0.00 WT1 H ATOM 6544 OH2 TIP3 1189 57.591 40.193 44.719 1.00 0.00 WT1 O ATOM 6545 H1 TIP3 1189 57.526 40.482 45.629 1.00 0.00 WT1 H ATOM 6546 H2 TIP3 1189 56.718 40.345 44.356 1.00 0.00 WT1 H ATOM 6547 OH2 TIP3 1190 43.020 46.857 41.650 1.00 0.00 WT1 O ATOM 6548 H1 TIP3 1190 43.287 47.389 40.900 1.00 0.00 WT1 H ATOM 6549 H2 TIP3 1190 42.191 47.242 41.934 1.00 0.00 WT1 H ATOM 6550 OH2 TIP3 1191 63.368 15.616 33.185 1.00 0.00 WT1 O ATOM 6551 H1 TIP3 1191 63.251 15.538 34.132 1.00 0.00 WT1 H ATOM 6552 H2 TIP3 1191 63.064 14.779 32.835 1.00 0.00 WT1 H ATOM 6553 OH2 TIP3 1192 37.903 5.125 49.086 1.00 0.00 WT1 O ATOM 6554 H1 TIP3 1192 37.122 5.091 49.639 1.00 0.00 WT1 H ATOM 6555 H2 TIP3 1192 38.398 4.340 49.321 1.00 0.00 WT1 H ATOM 6556 OH2 TIP3 1194 77.996 47.370 52.308 1.00 0.00 WT1 O ATOM 6557 H1 TIP3 1194 77.322 47.874 51.853 1.00 0.00 WT1 H ATOM 6558 H2 TIP3 1194 77.950 47.672 53.215 1.00 0.00 WT1 H ATOM 6559 OH2 TIP3 1195 42.162 89.577 -11.855 1.00 0.00 WT1 O ATOM 6560 H1 TIP3 1195 42.410 88.820 -11.325 1.00 0.00 WT1 H ATOM 6561 H2 TIP3 1195 41.957 89.211 -12.716 1.00 0.00 WT1 H ATOM 6562 OH2 TIP3 1196 60.946 23.972 23.944 1.00 0.00 WT1 O ATOM 6563 H1 TIP3 1196 60.805 24.788 24.423 1.00 0.00 WT1 H ATOM 6564 H2 TIP3 1196 60.353 24.027 23.195 1.00 0.00 WT1 H ATOM 6565 OH2 TIP3 1197 29.613 47.166 27.137 1.00 0.00 WT1 O ATOM 6566 H1 TIP3 1197 28.882 47.461 27.679 1.00 0.00 WT1 H ATOM 6567 H2 TIP3 1197 29.906 46.354 27.551 1.00 0.00 WT1 H ATOM 6568 OH2 TIP3 1198 65.251 26.773 31.854 1.00 0.00 WT1 O ATOM 6569 H1 TIP3 1198 65.599 26.921 30.974 1.00 0.00 WT1 H ATOM 6570 H2 TIP3 1198 66.008 26.875 32.431 1.00 0.00 WT1 H ATOM 6571 OH2 TIP3 1199 61.986 60.474 24.831 1.00 0.00 WT1 O ATOM 6572 H1 TIP3 1199 61.249 59.951 24.516 1.00 0.00 WT1 H ATOM 6573 H2 TIP3 1199 61.582 61.253 25.213 1.00 0.00 WT1 H ATOM 6574 OH2 TIP3 1200 64.824 37.588 -12.286 1.00 0.00 WT1 O ATOM 6575 H1 TIP3 1200 64.689 37.949 -11.410 1.00 0.00 WT1 H ATOM 6576 H2 TIP3 1200 65.444 38.188 -12.700 1.00 0.00 WT1 H ATOM 6577 OH2 TIP3 1201 56.546 42.108 2.577 1.00 0.00 WT1 O ATOM 6578 H1 TIP3 1201 56.644 41.902 3.507 1.00 0.00 WT1 H ATOM 6579 H2 TIP3 1201 55.839 41.536 2.277 1.00 0.00 WT1 H ATOM 6580 OH2 TIP3 1202 86.274 28.376 61.251 1.00 0.00 WT1 O ATOM 6581 H1 TIP3 1202 86.410 28.253 60.312 1.00 0.00 WT1 H ATOM 6582 H2 TIP3 1202 85.371 28.096 61.402 1.00 0.00 WT1 H ATOM 6583 OH2 TIP3 1203 67.828 29.703 56.513 1.00 0.00 WT1 O ATOM 6584 H1 TIP3 1203 66.905 29.913 56.652 1.00 0.00 WT1 H ATOM 6585 H2 TIP3 1203 67.820 29.018 55.845 1.00 0.00 WT1 H ATOM 6586 OH2 TIP3 1204 39.643 82.285 31.899 1.00 0.00 WT1 O ATOM 6587 H1 TIP3 1204 39.893 82.723 31.086 1.00 0.00 WT1 H ATOM 6588 H2 TIP3 1204 38.706 82.458 31.986 1.00 0.00 WT1 H ATOM 6589 OH2 TIP3 1205 50.539 49.030 -10.451 1.00 0.00 WT1 O ATOM 6590 H1 TIP3 1205 51.182 49.345 -9.816 1.00 0.00 WT1 H ATOM 6591 H2 TIP3 1205 49.704 49.064 -9.984 1.00 0.00 WT1 H ATOM 6592 OH2 TIP3 1206 32.081 91.603 30.410 1.00 0.00 WT1 O ATOM 6593 H1 TIP3 1206 31.478 90.935 30.736 1.00 0.00 WT1 H ATOM 6594 H2 TIP3 1206 31.645 91.964 29.638 1.00 0.00 WT1 H ATOM 6595 OH2 TIP3 1207 21.903 79.900 64.897 1.00 0.00 WT1 O ATOM 6596 H1 TIP3 1207 22.566 80.578 64.768 1.00 0.00 WT1 H ATOM 6597 H2 TIP3 1207 21.679 79.958 65.826 1.00 0.00 WT1 H ATOM 6598 OH2 TIP3 1208 61.952 30.920 28.640 1.00 0.00 WT1 O ATOM 6599 H1 TIP3 1208 62.295 30.428 27.894 1.00 0.00 WT1 H ATOM 6600 H2 TIP3 1208 62.380 31.774 28.581 1.00 0.00 WT1 H ATOM 6601 OH2 TIP3 1209 73.807 30.456 21.002 1.00 0.00 WT1 O ATOM 6602 H1 TIP3 1209 73.982 29.634 20.543 1.00 0.00 WT1 H ATOM 6603 H2 TIP3 1209 73.801 30.216 21.929 1.00 0.00 WT1 H ATOM 6604 OH2 TIP3 1210 29.467 53.603 12.387 1.00 0.00 WT1 O ATOM 6605 H1 TIP3 1210 29.747 52.699 12.526 1.00 0.00 WT1 H ATOM 6606 H2 TIP3 1210 29.479 53.715 11.436 1.00 0.00 WT1 H ATOM 6607 OH2 TIP3 1211 67.241 38.285 0.641 1.00 0.00 WT1 O ATOM 6608 H1 TIP3 1211 67.151 37.412 1.023 1.00 0.00 WT1 H ATOM 6609 H2 TIP3 1211 67.867 38.171 -0.074 1.00 0.00 WT1 H ATOM 6610 OH2 TIP3 1212 45.838 13.962 23.370 1.00 0.00 WT1 O ATOM 6611 H1 TIP3 1212 46.788 13.908 23.470 1.00 0.00 WT1 H ATOM 6612 H2 TIP3 1212 45.644 14.898 23.415 1.00 0.00 WT1 H ATOM 6613 OH2 TIP3 1213 68.888 47.677 41.304 1.00 0.00 WT1 O ATOM 6614 H1 TIP3 1213 69.587 48.039 41.847 1.00 0.00 WT1 H ATOM 6615 H2 TIP3 1213 68.486 48.440 40.889 1.00 0.00 WT1 H ATOM 6616 OH2 TIP3 1214 72.908 52.220 42.240 1.00 0.00 WT1 O ATOM 6617 H1 TIP3 1214 72.141 52.752 42.030 1.00 0.00 WT1 H ATOM 6618 H2 TIP3 1214 72.816 51.438 41.695 1.00 0.00 WT1 H ATOM 6619 OH2 TIP3 1215 39.241 61.647 37.798 1.00 0.00 WT1 O ATOM 6620 H1 TIP3 1215 39.644 62.258 38.414 1.00 0.00 WT1 H ATOM 6621 H2 TIP3 1215 39.163 62.143 36.983 1.00 0.00 WT1 H ATOM 6622 OH2 TIP3 1216 85.382 60.649 27.663 1.00 0.00 WT1 O ATOM 6623 H1 TIP3 1216 84.964 60.265 26.892 1.00 0.00 WT1 H ATOM 6624 H2 TIP3 1216 85.970 59.964 27.983 1.00 0.00 WT1 H ATOM 6625 OH2 TIP3 1217 30.274 8.509 32.359 1.00 0.00 WT1 O ATOM 6626 H1 TIP3 1217 30.420 7.775 31.761 1.00 0.00 WT1 H ATOM 6627 H2 TIP3 1217 30.345 8.125 33.233 1.00 0.00 WT1 H ATOM 6628 OH2 TIP3 1218 51.285 43.050 41.844 1.00 0.00 WT1 O ATOM 6629 H1 TIP3 1218 51.822 43.572 41.248 1.00 0.00 WT1 H ATOM 6630 H2 TIP3 1218 50.396 43.380 41.718 1.00 0.00 WT1 H ATOM 6631 OH2 TIP3 1219 25.400 53.432 60.314 1.00 0.00 WT1 O ATOM 6632 H1 TIP3 1219 25.192 52.522 60.524 1.00 0.00 WT1 H ATOM 6633 H2 TIP3 1219 24.562 53.891 60.379 1.00 0.00 WT1 H ATOM 6634 OH2 TIP3 1220 24.409 91.296 23.562 1.00 0.00 WT1 O ATOM 6635 H1 TIP3 1220 23.695 91.928 23.475 1.00 0.00 WT1 H ATOM 6636 H2 TIP3 1220 24.023 90.461 23.296 1.00 0.00 WT1 H ATOM 6637 OH2 TIP3 1221 51.075 40.214 52.602 1.00 0.00 WT1 O ATOM 6638 H1 TIP3 1221 51.545 41.030 52.773 1.00 0.00 WT1 H ATOM 6639 H2 TIP3 1221 51.542 39.818 51.866 1.00 0.00 WT1 H ATOM 6640 OH2 TIP3 1222 53.834 41.865 46.660 1.00 0.00 WT1 O ATOM 6641 H1 TIP3 1222 54.289 42.244 45.907 1.00 0.00 WT1 H ATOM 6642 H2 TIP3 1222 52.910 42.061 46.506 1.00 0.00 WT1 H ATOM 6643 OH2 TIP3 1223 42.649 38.796 -18.773 1.00 0.00 WT1 O ATOM 6644 H1 TIP3 1223 42.242 39.656 -18.672 1.00 0.00 WT1 H ATOM 6645 H2 TIP3 1223 43.343 38.779 -18.114 1.00 0.00 WT1 H ATOM 6646 OH2 TIP3 1224 40.917 33.703 -5.348 1.00 0.00 WT1 O ATOM 6647 H1 TIP3 1224 40.553 34.158 -4.589 1.00 0.00 WT1 H ATOM 6648 H2 TIP3 1224 40.566 32.814 -5.285 1.00 0.00 WT1 H ATOM 6649 OH2 TIP3 1225 31.294 13.481 -14.328 1.00 0.00 WT1 O ATOM 6650 H1 TIP3 1225 30.493 13.636 -14.828 1.00 0.00 WT1 H ATOM 6651 H2 TIP3 1225 31.844 12.958 -14.911 1.00 0.00 WT1 H ATOM 6652 OH2 TIP3 1226 31.445 43.127 64.906 1.00 0.00 WT1 O ATOM 6653 H1 TIP3 1226 30.939 43.395 65.673 1.00 0.00 WT1 H ATOM 6654 H2 TIP3 1226 32.302 42.883 65.256 1.00 0.00 WT1 H ATOM 6655 OH2 TIP3 1227 72.648 52.900 60.847 1.00 0.00 WT1 O ATOM 6656 H1 TIP3 1227 72.592 52.001 60.524 1.00 0.00 WT1 H ATOM 6657 H2 TIP3 1227 73.490 53.219 60.523 1.00 0.00 WT1 H ATOM 6658 OH2 TIP3 1228 44.158 35.947 51.586 1.00 0.00 WT1 O ATOM 6659 H1 TIP3 1228 44.129 35.937 52.543 1.00 0.00 WT1 H ATOM 6660 H2 TIP3 1228 44.973 36.402 51.376 1.00 0.00 WT1 H ATOM 6661 OH2 TIP3 1229 50.240 32.501 20.539 1.00 0.00 WT1 O ATOM 6662 H1 TIP3 1229 49.420 32.073 20.296 1.00 0.00 WT1 H ATOM 6663 H2 TIP3 1229 50.095 32.807 21.435 1.00 0.00 WT1 H ATOM 6664 OH2 TIP3 1230 87.466 45.383 10.179 1.00 0.00 WT1 O ATOM 6665 H1 TIP3 1230 87.152 46.109 10.718 1.00 0.00 WT1 H ATOM 6666 H2 TIP3 1230 86.951 45.441 9.374 1.00 0.00 WT1 H ATOM 6667 OH2 TIP3 1231 45.733 83.891 -6.324 1.00 0.00 WT1 O ATOM 6668 H1 TIP3 1231 45.576 83.415 -5.508 1.00 0.00 WT1 H ATOM 6669 H2 TIP3 1231 46.587 83.579 -6.623 1.00 0.00 WT1 H ATOM 6670 OH2 TIP3 1233 41.906 36.898 43.149 1.00 0.00 WT1 O ATOM 6671 H1 TIP3 1233 42.321 37.627 43.609 1.00 0.00 WT1 H ATOM 6672 H2 TIP3 1233 42.194 36.992 42.241 1.00 0.00 WT1 H ATOM 6673 OH2 TIP3 1234 87.985 33.477 38.183 1.00 0.00 WT1 O ATOM 6674 H1 TIP3 1234 88.333 33.988 38.914 1.00 0.00 WT1 H ATOM 6675 H2 TIP3 1234 88.137 32.566 38.434 1.00 0.00 WT1 H ATOM 6676 OH2 TIP3 1235 52.832 70.049 57.668 1.00 0.00 WT1 O ATOM 6677 H1 TIP3 1235 52.082 69.584 57.296 1.00 0.00 WT1 H ATOM 6678 H2 TIP3 1235 53.539 69.906 57.039 1.00 0.00 WT1 H ATOM 6679 OH2 TIP3 1236 72.684 58.809 36.712 1.00 0.00 WT1 O ATOM 6680 H1 TIP3 1236 72.571 59.722 36.447 1.00 0.00 WT1 H ATOM 6681 H2 TIP3 1236 72.361 58.301 35.968 1.00 0.00 WT1 H ATOM 6682 OH2 TIP3 1237 21.386 34.866 28.660 1.00 0.00 WT1 O ATOM 6683 H1 TIP3 1237 20.707 34.682 28.011 1.00 0.00 WT1 H ATOM 6684 H2 TIP3 1237 21.083 35.657 29.106 1.00 0.00 WT1 H ATOM 6685 OH2 TIP3 1238 60.320 34.248 36.847 1.00 0.00 WT1 O ATOM 6686 H1 TIP3 1238 59.641 34.019 36.213 1.00 0.00 WT1 H ATOM 6687 H2 TIP3 1238 60.455 33.447 37.353 1.00 0.00 WT1 H ATOM 6688 OH2 TIP3 1239 56.338 47.148 32.636 1.00 0.00 WT1 O ATOM 6689 H1 TIP3 1239 56.488 48.000 32.227 1.00 0.00 WT1 H ATOM 6690 H2 TIP3 1239 56.834 46.532 32.097 1.00 0.00 WT1 H ATOM 6691 OH2 TIP3 1240 27.503 73.607 -10.752 1.00 0.00 WT1 O ATOM 6692 H1 TIP3 1240 27.937 73.537 -11.602 1.00 0.00 WT1 H ATOM 6693 H2 TIP3 1240 28.212 73.533 -10.114 1.00 0.00 WT1 H ATOM 6694 OH2 TIP3 1242 49.490 86.160 26.962 1.00 0.00 WT1 O ATOM 6695 H1 TIP3 1242 49.107 85.389 27.380 1.00 0.00 WT1 H ATOM 6696 H2 TIP3 1242 50.424 85.958 26.898 1.00 0.00 WT1 H ATOM 6697 OH2 TIP3 1243 55.113 73.828 32.664 1.00 0.00 WT1 O ATOM 6698 H1 TIP3 1243 54.959 73.611 33.584 1.00 0.00 WT1 H ATOM 6699 H2 TIP3 1243 54.476 73.300 32.183 1.00 0.00 WT1 H ATOM 6700 OH2 TIP3 1244 81.175 38.482 -3.235 1.00 0.00 WT1 O ATOM 6701 H1 TIP3 1244 80.408 39.042 -3.116 1.00 0.00 WT1 H ATOM 6702 H2 TIP3 1244 81.772 38.739 -2.533 1.00 0.00 WT1 H ATOM 6703 OH2 TIP3 1245 22.504 36.186 46.567 1.00 0.00 WT1 O ATOM 6704 H1 TIP3 1245 23.461 36.209 46.538 1.00 0.00 WT1 H ATOM 6705 H2 TIP3 1245 22.247 37.091 46.740 1.00 0.00 WT1 H ATOM 6706 OH2 TIP3 1246 80.534 47.153 54.277 1.00 0.00 WT1 O ATOM 6707 H1 TIP3 1246 79.919 46.984 53.563 1.00 0.00 WT1 H ATOM 6708 H2 TIP3 1246 80.006 47.579 54.952 1.00 0.00 WT1 H ATOM 6709 OH2 TIP3 1247 83.367 55.020 20.553 1.00 0.00 WT1 O ATOM 6710 H1 TIP3 1247 83.784 54.183 20.759 1.00 0.00 WT1 H ATOM 6711 H2 TIP3 1247 82.590 54.782 20.047 1.00 0.00 WT1 H ATOM 6712 OH2 TIP3 1248 37.245 62.151 66.785 1.00 0.00 WT1 O ATOM 6713 H1 TIP3 1248 37.578 61.276 66.588 1.00 0.00 WT1 H ATOM 6714 H2 TIP3 1248 36.298 62.082 66.659 1.00 0.00 WT1 H ATOM 6715 OH2 TIP3 1249 27.118 55.690 13.382 1.00 0.00 WT1 O ATOM 6716 H1 TIP3 1249 27.831 55.377 12.825 1.00 0.00 WT1 H ATOM 6717 H2 TIP3 1249 27.556 56.158 14.093 1.00 0.00 WT1 H ATOM 6718 OH2 TIP3 1250 77.473 4.859 38.329 1.00 0.00 WT1 O ATOM 6719 H1 TIP3 1250 77.167 4.630 37.452 1.00 0.00 WT1 H ATOM 6720 H2 TIP3 1250 78.185 5.481 38.180 1.00 0.00 WT1 H ATOM 6721 OH2 TIP3 1253 83.390 92.879 57.221 1.00 0.00 WT1 O ATOM 6722 H1 TIP3 1253 83.270 93.050 56.287 1.00 0.00 WT1 H ATOM 6723 H2 TIP3 1253 83.988 92.132 57.254 1.00 0.00 WT1 H ATOM 6724 OH2 TIP3 1254 25.189 17.191 66.738 1.00 0.00 WT1 O ATOM 6725 H1 TIP3 1254 24.346 17.141 66.287 1.00 0.00 WT1 H ATOM 6726 H2 TIP3 1254 25.807 16.773 66.138 1.00 0.00 WT1 H ATOM 6727 OH2 TIP3 1255 85.000 43.982 30.868 1.00 0.00 WT1 O ATOM 6728 H1 TIP3 1255 85.635 43.280 31.011 1.00 0.00 WT1 H ATOM 6729 H2 TIP3 1255 84.404 43.923 31.615 1.00 0.00 WT1 H ATOM 6730 OH2 TIP3 1256 36.997 60.210 60.881 1.00 0.00 WT1 O ATOM 6731 H1 TIP3 1256 36.538 60.489 60.088 1.00 0.00 WT1 H ATOM 6732 H2 TIP3 1256 37.737 60.812 60.955 1.00 0.00 WT1 H ATOM 6733 OH2 TIP3 1257 29.232 41.014 21.946 1.00 0.00 WT1 O ATOM 6734 H1 TIP3 1257 29.767 41.538 22.541 1.00 0.00 WT1 H ATOM 6735 H2 TIP3 1257 28.662 41.649 21.513 1.00 0.00 WT1 H ATOM 6736 OH2 TIP3 1258 27.209 54.774 20.715 1.00 0.00 WT1 O ATOM 6737 H1 TIP3 1258 27.365 55.402 20.009 1.00 0.00 WT1 H ATOM 6738 H2 TIP3 1258 26.258 54.763 20.820 1.00 0.00 WT1 H ATOM 6739 OH2 TIP3 1259 23.315 5.343 3.870 1.00 0.00 WT1 O ATOM 6740 H1 TIP3 1259 23.600 5.960 4.543 1.00 0.00 WT1 H ATOM 6741 H2 TIP3 1259 23.061 5.895 3.130 1.00 0.00 WT1 H ATOM 6742 OH2 TIP3 1260 37.464 44.764 9.863 1.00 0.00 WT1 O ATOM 6743 H1 TIP3 1260 37.511 45.443 10.536 1.00 0.00 WT1 H ATOM 6744 H2 TIP3 1260 38.347 44.395 9.833 1.00 0.00 WT1 H ATOM 6745 OH2 TIP3 1261 78.971 47.163 57.632 1.00 0.00 WT1 O ATOM 6746 H1 TIP3 1261 78.646 47.878 58.179 1.00 0.00 WT1 H ATOM 6747 H2 TIP3 1261 78.491 46.392 57.935 1.00 0.00 WT1 H ATOM 6748 OH2 TIP3 1262 59.178 10.212 51.817 1.00 0.00 WT1 O ATOM 6749 H1 TIP3 1262 59.580 10.292 50.952 1.00 0.00 WT1 H ATOM 6750 H2 TIP3 1262 59.915 10.221 52.427 1.00 0.00 WT1 H ATOM 6751 OH2 TIP3 1263 28.226 18.512 29.495 1.00 0.00 WT1 O ATOM 6752 H1 TIP3 1263 27.282 18.670 29.480 1.00 0.00 WT1 H ATOM 6753 H2 TIP3 1263 28.430 18.365 30.419 1.00 0.00 WT1 H ATOM 6754 OH2 TIP3 1264 56.711 42.505 -5.164 1.00 0.00 WT1 O ATOM 6755 H1 TIP3 1264 56.978 42.557 -4.246 1.00 0.00 WT1 H ATOM 6756 H2 TIP3 1264 56.829 43.393 -5.500 1.00 0.00 WT1 H ATOM 6757 OH2 TIP3 1265 24.925 91.953 56.591 1.00 0.00 WT1 O ATOM 6758 H1 TIP3 1265 24.455 91.372 57.190 1.00 0.00 WT1 H ATOM 6759 H2 TIP3 1265 25.835 91.657 56.635 1.00 0.00 WT1 H ATOM 6760 OH2 TIP3 1266 20.875 59.749 30.930 1.00 0.00 WT1 O ATOM 6761 H1 TIP3 1266 21.359 60.466 30.520 1.00 0.00 WT1 H ATOM 6762 H2 TIP3 1266 20.132 59.596 30.346 1.00 0.00 WT1 H ATOM 6763 OH2 TIP3 1267 71.328 43.418 43.094 1.00 0.00 WT1 O ATOM 6764 H1 TIP3 1267 71.875 43.259 43.863 1.00 0.00 WT1 H ATOM 6765 H2 TIP3 1267 71.906 43.251 42.350 1.00 0.00 WT1 H ATOM 6766 OH2 TIP3 1268 38.752 38.075 -8.635 1.00 0.00 WT1 O ATOM 6767 H1 TIP3 1268 38.876 38.739 -7.957 1.00 0.00 WT1 H ATOM 6768 H2 TIP3 1268 38.553 38.575 -9.427 1.00 0.00 WT1 H ATOM 6769 OH2 TIP3 1269 60.286 67.418 -19.451 1.00 0.00 WT1 O ATOM 6770 H1 TIP3 1269 61.079 67.562 -18.934 1.00 0.00 WT1 H ATOM 6771 H2 TIP3 1269 59.570 67.665 -18.865 1.00 0.00 WT1 H ATOM 6772 OH2 TIP3 1270 53.704 4.677 60.201 1.00 0.00 WT1 O ATOM 6773 H1 TIP3 1270 53.486 5.406 60.781 1.00 0.00 WT1 H ATOM 6774 H2 TIP3 1270 53.232 4.867 59.390 1.00 0.00 WT1 H ATOM 6775 OH2 TIP3 1271 57.034 28.236 -18.064 1.00 0.00 WT1 O ATOM 6776 H1 TIP3 1271 56.269 28.626 -18.488 1.00 0.00 WT1 H ATOM 6777 H2 TIP3 1271 57.668 28.951 -18.010 1.00 0.00 WT1 H ATOM 6778 OH2 TIP3 1272 35.991 12.442 26.240 1.00 0.00 WT1 O ATOM 6779 H1 TIP3 1272 35.219 12.235 25.714 1.00 0.00 WT1 H ATOM 6780 H2 TIP3 1272 36.042 13.397 26.225 1.00 0.00 WT1 H ATOM 6781 OH2 TIP3 1273 71.978 64.580 -6.975 1.00 0.00 WT1 O ATOM 6782 H1 TIP3 1273 72.193 64.594 -6.043 1.00 0.00 WT1 H ATOM 6783 H2 TIP3 1273 71.088 64.230 -7.011 1.00 0.00 WT1 H ATOM 6784 OH2 TIP3 1274 40.933 57.255 8.365 1.00 0.00 WT1 O ATOM 6785 H1 TIP3 1274 41.167 57.024 9.264 1.00 0.00 WT1 H ATOM 6786 H2 TIP3 1274 41.708 57.030 7.851 1.00 0.00 WT1 H ATOM 6787 OH2 TIP3 1275 87.234 31.191 56.981 1.00 0.00 WT1 O ATOM 6788 H1 TIP3 1275 86.428 31.685 56.830 1.00 0.00 WT1 H ATOM 6789 H2 TIP3 1275 87.638 31.121 56.116 1.00 0.00 WT1 H ATOM 6790 OH2 TIP3 1276 25.449 70.769 59.972 1.00 0.00 WT1 O ATOM 6791 H1 TIP3 1276 24.497 70.867 59.949 1.00 0.00 WT1 H ATOM 6792 H2 TIP3 1276 25.657 70.261 59.188 1.00 0.00 WT1 H ATOM 6793 OH2 TIP3 1277 77.440 91.780 32.499 1.00 0.00 WT1 O ATOM 6794 H1 TIP3 1277 76.664 91.596 31.970 1.00 0.00 WT1 H ATOM 6795 H2 TIP3 1277 78.028 92.250 31.908 1.00 0.00 WT1 H ATOM 6796 OH2 TIP3 1278 66.480 22.243 62.669 1.00 0.00 WT1 O ATOM 6797 H1 TIP3 1278 66.720 21.807 63.487 1.00 0.00 WT1 H ATOM 6798 H2 TIP3 1278 66.694 23.164 62.818 1.00 0.00 WT1 H ATOM 6799 OH2 TIP3 1279 49.082 13.376 31.829 1.00 0.00 WT1 O ATOM 6800 H1 TIP3 1279 49.579 12.558 31.800 1.00 0.00 WT1 H ATOM 6801 H2 TIP3 1279 49.253 13.790 30.983 1.00 0.00 WT1 H ATOM 6802 OH2 TIP3 1281 50.755 47.135 34.969 1.00 0.00 WT1 O ATOM 6803 H1 TIP3 1281 51.485 46.883 34.404 1.00 0.00 WT1 H ATOM 6804 H2 TIP3 1281 50.771 48.092 34.969 1.00 0.00 WT1 H ATOM 6805 OH2 TIP3 1282 64.116 28.103 24.258 1.00 0.00 WT1 O ATOM 6806 H1 TIP3 1282 63.354 27.668 24.639 1.00 0.00 WT1 H ATOM 6807 H2 TIP3 1282 64.795 27.429 24.240 1.00 0.00 WT1 H ATOM 6808 OH2 TIP3 1283 20.382 27.314 -5.258 1.00 0.00 WT1 O ATOM 6809 H1 TIP3 1283 19.592 27.816 -5.458 1.00 0.00 WT1 H ATOM 6810 H2 TIP3 1283 21.099 27.850 -5.596 1.00 0.00 WT1 H ATOM 6811 OH2 TIP3 1284 26.561 68.418 -16.611 1.00 0.00 WT1 O ATOM 6812 H1 TIP3 1284 26.829 67.507 -16.737 1.00 0.00 WT1 H ATOM 6813 H2 TIP3 1284 25.648 68.362 -16.330 1.00 0.00 WT1 H ATOM 6814 OH2 TIP3 1285 90.210 51.005 32.417 1.00 0.00 WT1 O ATOM 6815 H1 TIP3 1285 90.261 51.839 32.884 1.00 0.00 WT1 H ATOM 6816 H2 TIP3 1285 89.764 51.215 31.597 1.00 0.00 WT1 H ATOM 6817 OH2 TIP3 1286 88.369 76.354 -14.548 1.00 0.00 WT1 O ATOM 6818 H1 TIP3 1286 89.129 75.922 -14.937 1.00 0.00 WT1 H ATOM 6819 H2 TIP3 1286 87.742 75.647 -14.397 1.00 0.00 WT1 H ATOM 6820 OH2 TIP3 1287 22.123 61.991 48.853 1.00 0.00 WT1 O ATOM 6821 H1 TIP3 1287 21.898 61.061 48.866 1.00 0.00 WT1 H ATOM 6822 H2 TIP3 1287 21.527 62.373 48.209 1.00 0.00 WT1 H ATOM 6823 OH2 TIP3 1288 27.792 63.215 13.617 1.00 0.00 WT1 O ATOM 6824 H1 TIP3 1288 28.260 62.445 13.940 1.00 0.00 WT1 H ATOM 6825 H2 TIP3 1288 28.027 63.912 14.229 1.00 0.00 WT1 H ATOM 6826 OH2 TIP3 1289 58.747 75.977 0.089 1.00 0.00 WT1 O ATOM 6827 H1 TIP3 1289 58.541 75.893 -0.843 1.00 0.00 WT1 H ATOM 6828 H2 TIP3 1289 58.614 75.099 0.444 1.00 0.00 WT1 H ATOM 6829 OH2 TIP3 1290 86.499 55.380 12.034 1.00 0.00 WT1 O ATOM 6830 H1 TIP3 1290 87.213 55.682 11.472 1.00 0.00 WT1 H ATOM 6831 H2 TIP3 1290 86.647 55.823 12.869 1.00 0.00 WT1 H ATOM 6832 OH2 TIP3 1291 34.709 77.837 11.079 1.00 0.00 WT1 O ATOM 6833 H1 TIP3 1291 35.265 78.613 11.011 1.00 0.00 WT1 H ATOM 6834 H2 TIP3 1291 35.158 77.173 10.555 1.00 0.00 WT1 H ATOM 6835 OH2 TIP3 1292 35.486 66.631 23.656 1.00 0.00 WT1 O ATOM 6836 H1 TIP3 1292 36.371 66.430 23.960 1.00 0.00 WT1 H ATOM 6837 H2 TIP3 1292 35.147 65.797 23.333 1.00 0.00 WT1 H ATOM 6838 OH2 TIP3 1293 46.889 56.421 19.360 1.00 0.00 WT1 O ATOM 6839 H1 TIP3 1293 46.961 56.214 18.428 1.00 0.00 WT1 H ATOM 6840 H2 TIP3 1293 47.235 55.647 19.805 1.00 0.00 WT1 H ATOM 6841 OH2 TIP3 1295 26.105 57.925 5.572 1.00 0.00 WT1 O ATOM 6842 H1 TIP3 1295 26.894 57.435 5.341 1.00 0.00 WT1 H ATOM 6843 H2 TIP3 1295 26.393 58.836 5.622 1.00 0.00 WT1 H ATOM 6844 OH2 TIP3 1296 72.313 60.683 8.829 1.00 0.00 WT1 O ATOM 6845 H1 TIP3 1296 71.356 60.676 8.815 1.00 0.00 WT1 H ATOM 6846 H2 TIP3 1296 72.565 60.861 7.923 1.00 0.00 WT1 H ATOM 6847 OH2 TIP3 1297 88.090 42.100 8.707 1.00 0.00 WT1 O ATOM 6848 H1 TIP3 1297 87.354 42.250 9.300 1.00 0.00 WT1 H ATOM 6849 H2 TIP3 1297 87.888 41.268 8.280 1.00 0.00 WT1 H ATOM 6850 OH2 TIP3 1298 87.166 29.333 -11.341 1.00 0.00 WT1 O ATOM 6851 H1 TIP3 1298 86.408 28.834 -11.646 1.00 0.00 WT1 H ATOM 6852 H2 TIP3 1298 87.714 29.435 -12.119 1.00 0.00 WT1 H ATOM 6853 OH2 TIP3 1299 69.723 59.381 36.606 1.00 0.00 WT1 O ATOM 6854 H1 TIP3 1299 68.829 59.676 36.432 1.00 0.00 WT1 H ATOM 6855 H2 TIP3 1299 69.938 59.758 37.459 1.00 0.00 WT1 H ATOM 6856 OH2 TIP3 1300 47.659 64.304 10.952 1.00 0.00 WT1 O ATOM 6857 H1 TIP3 1300 48.133 64.634 11.715 1.00 0.00 WT1 H ATOM 6858 H2 TIP3 1300 46.838 64.796 10.948 1.00 0.00 WT1 H ATOM 6859 OH2 TIP3 1301 28.875 22.546 33.030 1.00 0.00 WT1 O ATOM 6860 H1 TIP3 1301 28.865 22.293 32.106 1.00 0.00 WT1 H ATOM 6861 H2 TIP3 1301 28.061 22.188 33.385 1.00 0.00 WT1 H ATOM 6862 OH2 TIP3 1302 45.528 37.406 60.953 1.00 0.00 WT1 O ATOM 6863 H1 TIP3 1302 46.303 37.519 61.503 1.00 0.00 WT1 H ATOM 6864 H2 TIP3 1302 44.953 38.132 61.196 1.00 0.00 WT1 H ATOM 6865 OH2 TIP3 1303 39.039 11.179 60.933 1.00 0.00 WT1 O ATOM 6866 H1 TIP3 1303 39.138 10.236 61.065 1.00 0.00 WT1 H ATOM 6867 H2 TIP3 1303 38.397 11.447 61.590 1.00 0.00 WT1 H ATOM 6868 OH2 TIP3 1304 60.694 55.428 -8.751 1.00 0.00 WT1 O ATOM 6869 H1 TIP3 1304 61.633 55.295 -8.621 1.00 0.00 WT1 H ATOM 6870 H2 TIP3 1304 60.388 54.612 -9.148 1.00 0.00 WT1 H ATOM 6871 OH2 TIP3 1305 24.852 22.041 -9.643 1.00 0.00 WT1 O ATOM 6872 H1 TIP3 1305 25.726 21.649 -9.634 1.00 0.00 WT1 H ATOM 6873 H2 TIP3 1305 25.009 22.978 -9.525 1.00 0.00 WT1 H ATOM 6874 OH2 TIP3 1306 44.142 47.118 13.285 1.00 0.00 WT1 O ATOM 6875 H1 TIP3 1306 43.856 46.288 13.667 1.00 0.00 WT1 H ATOM 6876 H2 TIP3 1306 43.611 47.781 13.728 1.00 0.00 WT1 H ATOM 6877 OH2 TIP3 1307 26.875 24.024 -1.129 1.00 0.00 WT1 O ATOM 6878 H1 TIP3 1307 27.564 24.673 -1.269 1.00 0.00 WT1 H ATOM 6879 H2 TIP3 1307 27.166 23.525 -0.366 1.00 0.00 WT1 H ATOM 6880 OH2 TIP3 1308 78.830 39.078 -18.892 1.00 0.00 WT1 O ATOM 6881 H1 TIP3 1308 78.807 39.277 -19.828 1.00 0.00 WT1 H ATOM 6882 H2 TIP3 1308 78.167 38.397 -18.776 1.00 0.00 WT1 H ATOM 6883 OH2 TIP3 1309 66.604 17.079 17.270 1.00 0.00 WT1 O ATOM 6884 H1 TIP3 1309 65.815 17.557 17.525 1.00 0.00 WT1 H ATOM 6885 H2 TIP3 1309 66.300 16.188 17.098 1.00 0.00 WT1 H ATOM 6886 OH2 TIP3 1311 30.761 76.469 34.813 1.00 0.00 WT1 O ATOM 6887 H1 TIP3 1311 31.197 75.898 35.445 1.00 0.00 WT1 H ATOM 6888 H2 TIP3 1311 31.171 76.255 33.974 1.00 0.00 WT1 H ATOM 6889 OH2 TIP3 1312 87.408 8.629 -1.693 1.00 0.00 WT1 O ATOM 6890 H1 TIP3 1312 86.567 8.592 -2.149 1.00 0.00 WT1 H ATOM 6891 H2 TIP3 1312 87.213 9.069 -0.866 1.00 0.00 WT1 H ATOM 6892 OH2 TIP3 1313 86.324 1.849 43.505 1.00 0.00 WT1 O ATOM 6893 H1 TIP3 1313 87.236 1.734 43.238 1.00 0.00 WT1 H ATOM 6894 H2 TIP3 1313 85.952 0.968 43.476 1.00 0.00 WT1 H ATOM 6895 OH2 TIP3 1314 44.670 4.127 14.978 1.00 0.00 WT1 O ATOM 6896 H1 TIP3 1314 44.818 4.514 15.841 1.00 0.00 WT1 H ATOM 6897 H2 TIP3 1314 43.869 3.612 15.080 1.00 0.00 WT1 H ATOM 6898 OH2 TIP3 1315 81.262 71.785 30.339 1.00 0.00 WT1 O ATOM 6899 H1 TIP3 1315 80.956 71.040 30.857 1.00 0.00 WT1 H ATOM 6900 H2 TIP3 1315 81.504 71.406 29.494 1.00 0.00 WT1 H ATOM 6901 OH2 TIP3 1316 39.253 48.520 13.054 1.00 0.00 WT1 O ATOM 6902 H1 TIP3 1316 39.199 49.073 12.274 1.00 0.00 WT1 H ATOM 6903 H2 TIP3 1316 39.365 49.136 13.778 1.00 0.00 WT1 H ATOM 6904 OH2 TIP3 1317 39.228 37.022 37.232 1.00 0.00 WT1 O ATOM 6905 H1 TIP3 1317 39.761 37.659 37.707 1.00 0.00 WT1 H ATOM 6906 H2 TIP3 1317 38.855 37.517 36.503 1.00 0.00 WT1 H ATOM 6907 OH2 TIP3 1319 58.549 65.502 35.196 1.00 0.00 WT1 O ATOM 6908 H1 TIP3 1319 58.518 66.425 34.945 1.00 0.00 WT1 H ATOM 6909 H2 TIP3 1319 59.040 65.079 34.491 1.00 0.00 WT1 H ATOM 6910 OH2 TIP3 1320 34.481 17.883 6.348 1.00 0.00 WT1 O ATOM 6911 H1 TIP3 1320 35.423 17.821 6.507 1.00 0.00 WT1 H ATOM 6912 H2 TIP3 1320 34.402 18.483 5.606 1.00 0.00 WT1 H ATOM 6913 OH2 TIP3 1321 83.752 31.970 10.223 1.00 0.00 WT1 O ATOM 6914 H1 TIP3 1321 82.897 32.361 10.043 1.00 0.00 WT1 H ATOM 6915 H2 TIP3 1321 84.221 32.024 9.391 1.00 0.00 WT1 H ATOM 6916 OH2 TIP3 1322 41.920 7.151 -15.756 1.00 0.00 WT1 O ATOM 6917 H1 TIP3 1322 42.101 7.071 -16.692 1.00 0.00 WT1 H ATOM 6918 H2 TIP3 1322 42.282 8.003 -15.513 1.00 0.00 WT1 H ATOM 6919 OH2 TIP3 1323 78.447 85.698 18.480 1.00 0.00 WT1 O ATOM 6920 H1 TIP3 1323 77.494 85.720 18.398 1.00 0.00 WT1 H ATOM 6921 H2 TIP3 1323 78.604 85.384 19.370 1.00 0.00 WT1 H ATOM 6922 OH2 TIP3 1324 42.510 23.272 1.980 1.00 0.00 WT1 O ATOM 6923 H1 TIP3 1324 42.574 22.620 2.678 1.00 0.00 WT1 H ATOM 6924 H2 TIP3 1324 43.278 23.831 2.103 1.00 0.00 WT1 H ATOM 6925 OH2 TIP3 1325 84.008 58.624 5.647 1.00 0.00 WT1 O ATOM 6926 H1 TIP3 1325 83.756 57.710 5.514 1.00 0.00 WT1 H ATOM 6927 H2 TIP3 1325 83.202 59.056 5.930 1.00 0.00 WT1 H ATOM 6928 OH2 TIP3 1326 71.915 29.657 -6.975 1.00 0.00 WT1 O ATOM 6929 H1 TIP3 1326 71.678 28.878 -7.478 1.00 0.00 WT1 H ATOM 6930 H2 TIP3 1326 71.449 29.558 -6.145 1.00 0.00 WT1 H ATOM 6931 OH2 TIP3 1327 79.530 83.781 -2.218 1.00 0.00 WT1 O ATOM 6932 H1 TIP3 1327 79.708 84.597 -1.749 1.00 0.00 WT1 H ATOM 6933 H2 TIP3 1327 79.861 83.936 -3.103 1.00 0.00 WT1 H ATOM 6934 OH2 TIP3 1328 36.876 10.437 2.990 1.00 0.00 WT1 O ATOM 6935 H1 TIP3 1328 37.376 10.492 2.175 1.00 0.00 WT1 H ATOM 6936 H2 TIP3 1328 36.827 9.500 3.178 1.00 0.00 WT1 H ATOM 6937 OH2 TIP3 1329 75.367 83.748 2.351 1.00 0.00 WT1 O ATOM 6938 H1 TIP3 1329 74.793 83.737 1.585 1.00 0.00 WT1 H ATOM 6939 H2 TIP3 1329 74.835 83.377 3.055 1.00 0.00 WT1 H ATOM 6940 OH2 TIP3 1330 85.930 42.220 -14.454 1.00 0.00 WT1 O ATOM 6941 H1 TIP3 1330 86.216 42.209 -13.540 1.00 0.00 WT1 H ATOM 6942 H2 TIP3 1330 85.022 42.523 -14.417 1.00 0.00 WT1 H ATOM 6943 OH2 TIP3 1332 39.733 34.771 65.383 1.00 0.00 WT1 O ATOM 6944 H1 TIP3 1332 39.134 35.089 64.707 1.00 0.00 WT1 H ATOM 6945 H2 TIP3 1332 39.722 35.455 66.053 1.00 0.00 WT1 H ATOM 6946 OH2 TIP3 1333 60.315 96.761 33.494 1.00 0.00 WT1 O ATOM 6947 H1 TIP3 1333 61.026 96.288 33.063 1.00 0.00 WT1 H ATOM 6948 H2 TIP3 1333 59.557 96.182 33.412 1.00 0.00 WT1 H ATOM 6949 OH2 TIP3 1334 45.898 4.067 12.767 1.00 0.00 WT1 O ATOM 6950 H1 TIP3 1334 46.357 4.885 12.576 1.00 0.00 WT1 H ATOM 6951 H2 TIP3 1334 45.437 4.237 13.588 1.00 0.00 WT1 H ATOM 6952 OH2 TIP3 1335 67.322 32.958 58.753 1.00 0.00 WT1 O ATOM 6953 H1 TIP3 1335 67.506 32.629 57.873 1.00 0.00 WT1 H ATOM 6954 H2 TIP3 1335 67.619 33.868 58.736 1.00 0.00 WT1 H ATOM 6955 OH2 TIP3 1336 51.787 47.846 38.641 1.00 0.00 WT1 O ATOM 6956 H1 TIP3 1336 51.808 48.510 37.952 1.00 0.00 WT1 H ATOM 6957 H2 TIP3 1336 52.475 47.226 38.397 1.00 0.00 WT1 H ATOM 6958 OH2 TIP3 1337 25.462 5.323 0.564 1.00 0.00 WT1 O ATOM 6959 H1 TIP3 1337 25.588 4.392 0.380 1.00 0.00 WT1 H ATOM 6960 H2 TIP3 1337 25.051 5.343 1.428 1.00 0.00 WT1 H ATOM 6961 OH2 TIP3 1338 49.534 33.051 47.372 1.00 0.00 WT1 O ATOM 6962 H1 TIP3 1338 49.717 33.977 47.527 1.00 0.00 WT1 H ATOM 6963 H2 TIP3 1338 50.045 32.832 46.593 1.00 0.00 WT1 H ATOM 6964 OH2 TIP3 1339 63.957 35.556 59.549 1.00 0.00 WT1 O ATOM 6965 H1 TIP3 1339 63.470 35.359 58.749 1.00 0.00 WT1 H ATOM 6966 H2 TIP3 1339 63.286 35.813 60.182 1.00 0.00 WT1 H ATOM 6967 OH2 TIP3 1340 77.924 25.115 -0.623 1.00 0.00 WT1 O ATOM 6968 H1 TIP3 1340 77.113 25.297 -0.148 1.00 0.00 WT1 H ATOM 6969 H2 TIP3 1340 77.680 25.170 -1.546 1.00 0.00 WT1 H ATOM 6970 OH2 TIP3 1342 37.683 11.664 31.111 1.00 0.00 WT1 O ATOM 6971 H1 TIP3 1342 37.623 12.201 30.321 1.00 0.00 WT1 H ATOM 6972 H2 TIP3 1342 36.783 11.611 31.434 1.00 0.00 WT1 H ATOM 6973 OH2 TIP3 1343 23.089 5.155 -1.229 1.00 0.00 WT1 O ATOM 6974 H1 TIP3 1343 23.942 5.354 -0.842 1.00 0.00 WT1 H ATOM 6975 H2 TIP3 1343 23.252 5.139 -2.172 1.00 0.00 WT1 H ATOM 6976 OH2 TIP3 1344 89.153 47.435 61.107 1.00 0.00 WT1 O ATOM 6977 H1 TIP3 1344 88.633 47.325 60.311 1.00 0.00 WT1 H ATOM 6978 H2 TIP3 1344 88.627 47.027 61.795 1.00 0.00 WT1 H ATOM 6979 OH2 TIP3 1345 65.154 59.466 54.010 1.00 0.00 WT1 O ATOM 6980 H1 TIP3 1345 64.569 58.710 53.971 1.00 0.00 WT1 H ATOM 6981 H2 TIP3 1345 65.961 59.167 53.589 1.00 0.00 WT1 H ATOM 6982 OH2 TIP3 1346 42.528 22.085 55.670 1.00 0.00 WT1 O ATOM 6983 H1 TIP3 1346 43.318 21.550 55.594 1.00 0.00 WT1 H ATOM 6984 H2 TIP3 1346 42.375 22.413 54.784 1.00 0.00 WT1 H ATOM 6985 OH2 TIP3 1347 58.821 3.291 24.111 1.00 0.00 WT1 O ATOM 6986 H1 TIP3 1347 59.080 4.019 23.547 1.00 0.00 WT1 H ATOM 6987 H2 TIP3 1347 59.638 2.997 24.514 1.00 0.00 WT1 H ATOM 6988 OH2 TIP3 1348 38.168 66.810 39.947 1.00 0.00 WT1 O ATOM 6989 H1 TIP3 1348 38.974 67.176 40.312 1.00 0.00 WT1 H ATOM 6990 H2 TIP3 1348 37.883 67.455 39.300 1.00 0.00 WT1 H ATOM 6991 OH2 TIP3 1349 86.076 64.359 -10.809 1.00 0.00 WT1 O ATOM 6992 H1 TIP3 1349 86.734 64.115 -11.459 1.00 0.00 WT1 H ATOM 6993 H2 TIP3 1349 86.530 64.288 -9.969 1.00 0.00 WT1 H ATOM 6994 OH2 TIP3 1350 54.527 58.884 52.783 1.00 0.00 WT1 O ATOM 6995 H1 TIP3 1350 54.859 58.124 52.305 1.00 0.00 WT1 H ATOM 6996 H2 TIP3 1350 53.858 59.255 52.209 1.00 0.00 WT1 H ATOM 6997 OH2 TIP3 1351 52.062 34.009 39.397 1.00 0.00 WT1 O ATOM 6998 H1 TIP3 1351 51.844 33.184 38.964 1.00 0.00 WT1 H ATOM 6999 H2 TIP3 1351 52.994 34.134 39.220 1.00 0.00 WT1 H ATOM 7000 OH2 TIP3 1352 63.673 75.381 41.486 1.00 0.00 WT1 O ATOM 7001 H1 TIP3 1352 63.632 74.509 41.096 1.00 0.00 WT1 H ATOM 7002 H2 TIP3 1352 64.339 75.842 40.976 1.00 0.00 WT1 H ATOM 7003 OH2 TIP3 1353 79.572 49.070 -16.673 1.00 0.00 WT1 O ATOM 7004 H1 TIP3 1353 79.665 49.955 -16.320 1.00 0.00 WT1 H ATOM 7005 H2 TIP3 1353 78.659 49.020 -16.958 1.00 0.00 WT1 H ATOM 7006 OH2 TIP3 1354 60.543 38.648 60.880 1.00 0.00 WT1 O ATOM 7007 H1 TIP3 1354 61.438 38.974 60.781 1.00 0.00 WT1 H ATOM 7008 H2 TIP3 1354 60.335 38.796 61.802 1.00 0.00 WT1 H ATOM 7009 OH2 TIP3 1355 45.341 34.441 61.097 1.00 0.00 WT1 O ATOM 7010 H1 TIP3 1355 45.429 35.371 60.885 1.00 0.00 WT1 H ATOM 7011 H2 TIP3 1355 45.407 34.405 62.051 1.00 0.00 WT1 H ATOM 7012 OH2 TIP3 1356 64.391 33.960 4.423 1.00 0.00 WT1 O ATOM 7013 H1 TIP3 1356 63.641 33.776 3.857 1.00 0.00 WT1 H ATOM 7014 H2 TIP3 1356 64.012 34.377 5.196 1.00 0.00 WT1 H ATOM 7015 OH2 TIP3 1357 42.673 71.503 51.367 1.00 0.00 WT1 O ATOM 7016 H1 TIP3 1357 42.424 72.399 51.142 1.00 0.00 WT1 H ATOM 7017 H2 TIP3 1357 42.613 71.023 50.541 1.00 0.00 WT1 H ATOM 7018 OH2 TIP3 1358 20.792 35.660 24.050 1.00 0.00 WT1 O ATOM 7019 H1 TIP3 1358 21.573 35.199 23.742 1.00 0.00 WT1 H ATOM 7020 H2 TIP3 1358 20.396 36.018 23.255 1.00 0.00 WT1 H ATOM 7021 OH2 TIP3 1359 20.486 87.183 -3.990 1.00 0.00 WT1 O ATOM 7022 H1 TIP3 1359 19.799 87.763 -4.318 1.00 0.00 WT1 H ATOM 7023 H2 TIP3 1359 21.289 87.700 -4.054 1.00 0.00 WT1 H ATOM 7024 OH2 TIP3 1360 73.951 15.593 49.363 1.00 0.00 WT1 O ATOM 7025 H1 TIP3 1360 73.427 16.391 49.436 1.00 0.00 WT1 H ATOM 7026 H2 TIP3 1360 74.457 15.711 48.558 1.00 0.00 WT1 H ATOM 7027 OH2 TIP3 1361 71.209 47.063 22.279 1.00 0.00 WT1 O ATOM 7028 H1 TIP3 1361 70.548 46.372 22.317 1.00 0.00 WT1 H ATOM 7029 H2 TIP3 1361 71.415 47.249 23.195 1.00 0.00 WT1 H ATOM 7030 OH2 TIP3 1362 51.325 5.456 -7.743 1.00 0.00 WT1 O ATOM 7031 H1 TIP3 1362 52.229 5.477 -8.057 1.00 0.00 WT1 H ATOM 7032 H2 TIP3 1362 50.949 6.286 -8.036 1.00 0.00 WT1 H ATOM 7033 OH2 TIP3 1363 62.185 42.799 44.685 1.00 0.00 WT1 O ATOM 7034 H1 TIP3 1363 63.058 43.135 44.477 1.00 0.00 WT1 H ATOM 7035 H2 TIP3 1363 61.738 42.755 43.840 1.00 0.00 WT1 H ATOM 7036 OH2 TIP3 1364 22.813 33.268 56.426 1.00 0.00 WT1 O ATOM 7037 H1 TIP3 1364 23.428 32.748 56.943 1.00 0.00 WT1 H ATOM 7038 H2 TIP3 1364 22.462 33.910 57.043 1.00 0.00 WT1 H ATOM 7039 OH2 TIP3 1365 60.062 2.598 51.715 1.00 0.00 WT1 O ATOM 7040 H1 TIP3 1365 59.933 2.289 50.818 1.00 0.00 WT1 H ATOM 7041 H2 TIP3 1365 59.199 2.518 52.122 1.00 0.00 WT1 H ATOM 7042 OH2 TIP3 1366 33.074 79.254 14.550 1.00 0.00 WT1 O ATOM 7043 H1 TIP3 1366 33.183 78.536 13.927 1.00 0.00 WT1 H ATOM 7044 H2 TIP3 1366 33.800 79.849 14.361 1.00 0.00 WT1 H ATOM 7045 OH2 TIP3 1367 82.836 93.653 49.056 1.00 0.00 WT1 O ATOM 7046 H1 TIP3 1367 82.087 94.247 49.012 1.00 0.00 WT1 H ATOM 7047 H2 TIP3 1367 83.600 94.230 49.078 1.00 0.00 WT1 H ATOM 7048 OH2 TIP3 1368 81.412 31.291 48.108 1.00 0.00 WT1 O ATOM 7049 H1 TIP3 1368 82.273 31.608 48.381 1.00 0.00 WT1 H ATOM 7050 H2 TIP3 1368 81.475 31.215 47.156 1.00 0.00 WT1 H ATOM 7051 OH2 TIP3 1369 55.887 78.571 27.905 1.00 0.00 WT1 O ATOM 7052 H1 TIP3 1369 55.324 78.962 28.573 1.00 0.00 WT1 H ATOM 7053 H2 TIP3 1369 55.603 77.659 27.855 1.00 0.00 WT1 H ATOM 7054 OH2 TIP3 1370 74.797 1.429 49.754 1.00 0.00 WT1 O ATOM 7055 H1 TIP3 1370 74.593 0.619 49.286 1.00 0.00 WT1 H ATOM 7056 H2 TIP3 1370 75.741 1.539 49.643 1.00 0.00 WT1 H ATOM 7057 OH2 TIP3 1371 30.025 26.686 -18.746 1.00 0.00 WT1 O ATOM 7058 H1 TIP3 1371 30.579 27.454 -18.882 1.00 0.00 WT1 H ATOM 7059 H2 TIP3 1371 29.244 27.028 -18.310 1.00 0.00 WT1 H ATOM 7060 OH2 TIP3 1372 65.917 25.695 -14.871 1.00 0.00 WT1 O ATOM 7061 H1 TIP3 1372 65.311 26.062 -15.514 1.00 0.00 WT1 H ATOM 7062 H2 TIP3 1372 66.158 24.840 -15.228 1.00 0.00 WT1 H ATOM 7063 OH2 TIP3 1373 64.231 50.860 -2.352 1.00 0.00 WT1 O ATOM 7064 H1 TIP3 1373 63.870 51.214 -1.539 1.00 0.00 WT1 H ATOM 7065 H2 TIP3 1373 63.486 50.442 -2.783 1.00 0.00 WT1 H ATOM 7066 OH2 TIP3 1374 52.695 6.198 -3.904 1.00 0.00 WT1 O ATOM 7067 H1 TIP3 1374 53.322 5.949 -4.583 1.00 0.00 WT1 H ATOM 7068 H2 TIP3 1374 52.283 5.373 -3.644 1.00 0.00 WT1 H ATOM 7069 OH2 TIP3 1375 71.679 47.327 -1.705 1.00 0.00 WT1 O ATOM 7070 H1 TIP3 1375 71.076 47.626 -1.025 1.00 0.00 WT1 H ATOM 7071 H2 TIP3 1375 72.449 47.887 -1.607 1.00 0.00 WT1 H ATOM 7072 OH2 TIP3 1376 63.898 66.201 58.426 1.00 0.00 WT1 O ATOM 7073 H1 TIP3 1376 63.070 66.322 58.891 1.00 0.00 WT1 H ATOM 7074 H2 TIP3 1376 63.690 66.391 57.511 1.00 0.00 WT1 H ATOM 7075 OH2 TIP3 1377 69.691 70.025 -1.114 1.00 0.00 WT1 O ATOM 7076 H1 TIP3 1377 69.289 69.186 -1.340 1.00 0.00 WT1 H ATOM 7077 H2 TIP3 1377 69.941 70.405 -1.957 1.00 0.00 WT1 H ATOM 7078 OH2 TIP3 1378 22.630 34.118 9.919 1.00 0.00 WT1 O ATOM 7079 H1 TIP3 1378 22.709 34.409 9.011 1.00 0.00 WT1 H ATOM 7080 H2 TIP3 1378 23.529 33.933 10.191 1.00 0.00 WT1 H ATOM 7081 OH2 TIP3 1379 26.568 3.087 30.078 1.00 0.00 WT1 O ATOM 7082 H1 TIP3 1379 25.969 2.501 29.615 1.00 0.00 WT1 H ATOM 7083 H2 TIP3 1379 27.441 2.778 29.835 1.00 0.00 WT1 H ATOM 7084 OH2 TIP3 1380 50.915 95.813 38.612 1.00 0.00 WT1 O ATOM 7085 H1 TIP3 1380 50.883 94.963 38.175 1.00 0.00 WT1 H ATOM 7086 H2 TIP3 1380 50.572 95.645 39.490 1.00 0.00 WT1 H ATOM 7087 OH2 TIP3 1381 85.661 14.643 63.602 1.00 0.00 WT1 O ATOM 7088 H1 TIP3 1381 86.477 14.733 64.095 1.00 0.00 WT1 H ATOM 7089 H2 TIP3 1381 85.154 13.996 64.094 1.00 0.00 WT1 H ATOM 7090 OH2 TIP3 1382 75.716 75.255 56.871 1.00 0.00 WT1 O ATOM 7091 H1 TIP3 1382 74.840 74.888 56.991 1.00 0.00 WT1 H ATOM 7092 H2 TIP3 1382 75.562 76.146 56.559 1.00 0.00 WT1 H ATOM 7093 OH2 TIP3 1383 85.926 95.996 57.804 1.00 0.00 WT1 O ATOM 7094 H1 TIP3 1383 86.105 96.590 58.533 1.00 0.00 WT1 H ATOM 7095 H2 TIP3 1383 84.972 95.927 57.780 1.00 0.00 WT1 H ATOM 7096 OH2 TIP3 1384 60.035 15.588 5.228 1.00 0.00 WT1 O ATOM 7097 H1 TIP3 1384 59.936 16.478 5.567 1.00 0.00 WT1 H ATOM 7098 H2 TIP3 1384 59.554 15.040 5.848 1.00 0.00 WT1 H ATOM 7099 OH2 TIP3 1385 43.588 74.472 2.014 1.00 0.00 WT1 O ATOM 7100 H1 TIP3 1385 43.805 73.999 2.817 1.00 0.00 WT1 H ATOM 7101 H2 TIP3 1385 44.283 74.234 1.400 1.00 0.00 WT1 H ATOM 7102 OH2 TIP3 1387 83.980 18.228 3.159 1.00 0.00 WT1 O ATOM 7103 H1 TIP3 1387 83.836 18.589 4.033 1.00 0.00 WT1 H ATOM 7104 H2 TIP3 1387 83.572 18.861 2.568 1.00 0.00 WT1 H ATOM 7105 OH2 TIP3 1388 33.324 84.968 11.016 1.00 0.00 WT1 O ATOM 7106 H1 TIP3 1388 33.307 85.899 10.795 1.00 0.00 WT1 H ATOM 7107 H2 TIP3 1388 33.177 84.520 10.183 1.00 0.00 WT1 H ATOM 7108 OH2 TIP3 1389 84.733 94.080 -15.161 1.00 0.00 WT1 O ATOM 7109 H1 TIP3 1389 84.469 94.996 -15.073 1.00 0.00 WT1 H ATOM 7110 H2 TIP3 1389 85.672 94.117 -15.341 1.00 0.00 WT1 H ATOM 7111 OH2 TIP3 1390 42.975 29.276 30.557 1.00 0.00 WT1 O ATOM 7112 H1 TIP3 1390 43.917 29.432 30.491 1.00 0.00 WT1 H ATOM 7113 H2 TIP3 1390 42.727 29.654 31.400 1.00 0.00 WT1 H ATOM 7114 OH2 TIP3 1391 56.666 69.718 31.289 1.00 0.00 WT1 O ATOM 7115 H1 TIP3 1391 56.263 70.171 32.030 1.00 0.00 WT1 H ATOM 7116 H2 TIP3 1391 55.930 69.474 30.728 1.00 0.00 WT1 H ATOM 7117 OH2 TIP3 1392 29.506 63.165 5.259 1.00 0.00 WT1 O ATOM 7118 H1 TIP3 1392 29.422 62.233 5.460 1.00 0.00 WT1 H ATOM 7119 H2 TIP3 1392 30.339 63.421 5.656 1.00 0.00 WT1 H ATOM 7120 OH2 TIP3 1393 31.453 91.567 65.346 1.00 0.00 WT1 O ATOM 7121 H1 TIP3 1393 30.977 91.110 64.653 1.00 0.00 WT1 H ATOM 7122 H2 TIP3 1393 31.703 90.878 65.961 1.00 0.00 WT1 H ATOM 7123 OH2 TIP3 1394 64.699 96.273 57.178 1.00 0.00 WT1 O ATOM 7124 H1 TIP3 1394 64.128 95.782 56.588 1.00 0.00 WT1 H ATOM 7125 H2 TIP3 1394 65.212 96.838 56.601 1.00 0.00 WT1 H ATOM 7126 OH2 TIP3 1395 47.902 18.937 15.708 1.00 0.00 WT1 O ATOM 7127 H1 TIP3 1395 48.161 19.544 16.401 1.00 0.00 WT1 H ATOM 7128 H2 TIP3 1395 48.088 19.407 14.895 1.00 0.00 WT1 H ATOM 7129 OH2 TIP3 1396 25.574 79.200 16.927 1.00 0.00 WT1 O ATOM 7130 H1 TIP3 1396 25.769 79.672 16.117 1.00 0.00 WT1 H ATOM 7131 H2 TIP3 1396 25.244 78.350 16.635 1.00 0.00 WT1 H ATOM 7132 OH2 TIP3 1397 29.349 5.593 33.922 1.00 0.00 WT1 O ATOM 7133 H1 TIP3 1397 29.087 5.317 33.044 1.00 0.00 WT1 H ATOM 7134 H2 TIP3 1397 30.063 5.000 34.157 1.00 0.00 WT1 H ATOM 7135 OH2 TIP3 1398 41.667 75.522 11.168 1.00 0.00 WT1 O ATOM 7136 H1 TIP3 1398 41.797 74.796 11.779 1.00 0.00 WT1 H ATOM 7137 H2 TIP3 1398 41.870 75.152 10.309 1.00 0.00 WT1 H ATOM 7138 OH2 TIP3 1399 63.475 79.454 42.931 1.00 0.00 WT1 O ATOM 7139 H1 TIP3 1399 63.169 79.321 42.034 1.00 0.00 WT1 H ATOM 7140 H2 TIP3 1399 63.713 78.578 43.236 1.00 0.00 WT1 H ATOM 7141 OH2 TIP3 1400 83.803 72.826 9.824 1.00 0.00 WT1 O ATOM 7142 H1 TIP3 1400 84.110 71.920 9.845 1.00 0.00 WT1 H ATOM 7143 H2 TIP3 1400 84.554 73.341 10.118 1.00 0.00 WT1 H ATOM 7144 OH2 TIP3 1401 73.570 38.275 9.820 1.00 0.00 WT1 O ATOM 7145 H1 TIP3 1401 72.800 37.746 10.028 1.00 0.00 WT1 H ATOM 7146 H2 TIP3 1401 73.880 38.592 10.669 1.00 0.00 WT1 H ATOM 7147 OH2 TIP3 1402 22.199 12.703 6.314 1.00 0.00 WT1 O ATOM 7148 H1 TIP3 1402 21.831 11.944 6.767 1.00 0.00 WT1 H ATOM 7149 H2 TIP3 1402 22.519 12.353 5.481 1.00 0.00 WT1 H ATOM 7150 OH2 TIP3 1403 71.345 42.335 -2.220 1.00 0.00 WT1 O ATOM 7151 H1 TIP3 1403 71.629 43.120 -2.688 1.00 0.00 WT1 H ATOM 7152 H2 TIP3 1403 70.949 42.665 -1.413 1.00 0.00 WT1 H ATOM 7153 OH2 TIP3 1404 38.559 74.604 30.442 1.00 0.00 WT1 O ATOM 7154 H1 TIP3 1404 38.959 74.819 31.284 1.00 0.00 WT1 H ATOM 7155 H2 TIP3 1404 38.608 73.649 30.390 1.00 0.00 WT1 H ATOM 7156 OH2 TIP3 1405 20.799 80.388 -11.126 1.00 0.00 WT1 O ATOM 7157 H1 TIP3 1405 21.669 80.360 -11.525 1.00 0.00 WT1 H ATOM 7158 H2 TIP3 1405 20.707 79.539 -10.692 1.00 0.00 WT1 H ATOM 7159 OH2 TIP3 1406 43.311 28.400 -18.339 1.00 0.00 WT1 O ATOM 7160 H1 TIP3 1406 42.453 28.122 -18.018 1.00 0.00 WT1 H ATOM 7161 H2 TIP3 1406 43.131 29.183 -18.859 1.00 0.00 WT1 H ATOM 7162 OH2 TIP3 1407 78.846 19.112 47.017 1.00 0.00 WT1 O ATOM 7163 H1 TIP3 1407 79.362 19.900 47.188 1.00 0.00 WT1 H ATOM 7164 H2 TIP3 1407 79.115 18.835 46.141 1.00 0.00 WT1 H ATOM 7165 OH2 TIP3 1408 25.630 49.001 31.571 1.00 0.00 WT1 O ATOM 7166 H1 TIP3 1408 24.981 49.615 31.913 1.00 0.00 WT1 H ATOM 7167 H2 TIP3 1408 25.324 48.795 30.688 1.00 0.00 WT1 H ATOM 7168 OH2 TIP3 1409 83.136 32.017 17.447 1.00 0.00 WT1 O ATOM 7169 H1 TIP3 1409 83.494 31.623 18.242 1.00 0.00 WT1 H ATOM 7170 H2 TIP3 1409 83.109 32.955 17.637 1.00 0.00 WT1 H ATOM 7171 OH2 TIP3 1410 26.507 4.291 56.798 1.00 0.00 WT1 O ATOM 7172 H1 TIP3 1410 26.817 5.002 56.238 1.00 0.00 WT1 H ATOM 7173 H2 TIP3 1410 27.246 4.099 57.375 1.00 0.00 WT1 H ATOM 7174 OH2 TIP3 1411 26.312 77.324 49.983 1.00 0.00 WT1 O ATOM 7175 H1 TIP3 1411 26.375 77.080 49.060 1.00 0.00 WT1 H ATOM 7176 H2 TIP3 1411 25.424 77.071 50.238 1.00 0.00 WT1 H ATOM 7177 OH2 TIP3 1412 43.269 81.240 5.192 1.00 0.00 WT1 O ATOM 7178 H1 TIP3 1412 44.123 81.231 5.624 1.00 0.00 WT1 H ATOM 7179 H2 TIP3 1412 43.440 80.895 4.315 1.00 0.00 WT1 H ATOM 7180 OH2 TIP3 1413 53.995 93.393 26.125 1.00 0.00 WT1 O ATOM 7181 H1 TIP3 1413 54.767 93.281 26.679 1.00 0.00 WT1 H ATOM 7182 H2 TIP3 1413 54.029 94.308 25.847 1.00 0.00 WT1 H ATOM 7183 OH2 TIP3 1414 35.147 92.777 -16.194 1.00 0.00 WT1 O ATOM 7184 H1 TIP3 1414 35.514 93.603 -15.878 1.00 0.00 WT1 H ATOM 7185 H2 TIP3 1414 35.234 92.825 -17.146 1.00 0.00 WT1 H ATOM 7186 OH2 TIP3 1415 73.421 30.812 23.898 1.00 0.00 WT1 O ATOM 7187 H1 TIP3 1415 73.564 31.259 24.732 1.00 0.00 WT1 H ATOM 7188 H2 TIP3 1415 72.721 31.310 23.476 1.00 0.00 WT1 H ATOM 7189 OH2 TIP3 1416 49.593 56.543 0.858 1.00 0.00 WT1 O ATOM 7190 H1 TIP3 1416 49.172 56.498 1.716 1.00 0.00 WT1 H ATOM 7191 H2 TIP3 1416 50.411 57.014 1.017 1.00 0.00 WT1 H ATOM 7192 OH2 TIP3 1417 51.396 47.384 65.006 1.00 0.00 WT1 O ATOM 7193 H1 TIP3 1417 50.724 46.973 64.463 1.00 0.00 WT1 H ATOM 7194 H2 TIP3 1417 50.909 47.959 65.597 1.00 0.00 WT1 H ATOM 7195 OH2 TIP3 1418 26.923 77.474 -0.551 1.00 0.00 WT1 O ATOM 7196 H1 TIP3 1418 27.244 78.124 -1.176 1.00 0.00 WT1 H ATOM 7197 H2 TIP3 1418 26.729 76.703 -1.085 1.00 0.00 WT1 H ATOM 7198 OH2 TIP3 1419 74.330 42.749 62.876 1.00 0.00 WT1 O ATOM 7199 H1 TIP3 1419 74.650 43.639 62.727 1.00 0.00 WT1 H ATOM 7200 H2 TIP3 1419 73.993 42.762 63.772 1.00 0.00 WT1 H ATOM 7201 OH2 TIP3 1421 29.606 60.340 54.277 1.00 0.00 WT1 O ATOM 7202 H1 TIP3 1421 30.383 60.645 54.744 1.00 0.00 WT1 H ATOM 7203 H2 TIP3 1421 29.785 60.538 53.357 1.00 0.00 WT1 H ATOM 7204 OH2 TIP3 1422 55.376 1.019 43.880 1.00 0.00 WT1 O ATOM 7205 H1 TIP3 1422 55.735 0.393 43.251 1.00 0.00 WT1 H ATOM 7206 H2 TIP3 1422 54.983 1.704 43.339 1.00 0.00 WT1 H ATOM 7207 OH2 TIP3 1423 26.623 17.379 -1.989 1.00 0.00 WT1 O ATOM 7208 H1 TIP3 1423 26.685 17.555 -1.050 1.00 0.00 WT1 H ATOM 7209 H2 TIP3 1423 27.461 17.674 -2.344 1.00 0.00 WT1 H ATOM 7210 OH2 TIP3 1424 36.268 92.829 48.561 1.00 0.00 WT1 O ATOM 7211 H1 TIP3 1424 36.548 93.696 48.268 1.00 0.00 WT1 H ATOM 7212 H2 TIP3 1424 35.373 92.960 48.874 1.00 0.00 WT1 H ATOM 7213 OH2 TIP3 1426 26.826 32.976 -9.359 1.00 0.00 WT1 O ATOM 7214 H1 TIP3 1426 26.593 33.628 -10.020 1.00 0.00 WT1 H ATOM 7215 H2 TIP3 1426 27.327 33.465 -8.706 1.00 0.00 WT1 H ATOM 7216 OH2 TIP3 1428 45.802 3.213 0.186 1.00 0.00 WT1 O ATOM 7217 H1 TIP3 1428 45.653 2.442 -0.362 1.00 0.00 WT1 H ATOM 7218 H2 TIP3 1428 45.007 3.288 0.715 1.00 0.00 WT1 H ATOM 7219 OH2 TIP3 1429 67.175 23.277 11.436 1.00 0.00 WT1 O ATOM 7220 H1 TIP3 1429 67.165 23.869 12.189 1.00 0.00 WT1 H ATOM 7221 H2 TIP3 1429 66.285 23.320 11.086 1.00 0.00 WT1 H ATOM 7222 OH2 TIP3 1430 73.939 23.638 -2.683 1.00 0.00 WT1 O ATOM 7223 H1 TIP3 1430 74.440 24.399 -2.389 1.00 0.00 WT1 H ATOM 7224 H2 TIP3 1430 74.536 23.169 -3.266 1.00 0.00 WT1 H ATOM 7225 OH2 TIP3 1431 89.895 38.400 42.424 1.00 0.00 WT1 O ATOM 7226 H1 TIP3 1431 89.475 39.009 41.817 1.00 0.00 WT1 H ATOM 7227 H2 TIP3 1431 90.790 38.311 42.095 1.00 0.00 WT1 H ATOM 7228 OH2 TIP3 1432 26.668 21.158 33.517 1.00 0.00 WT1 O ATOM 7229 H1 TIP3 1432 26.676 20.810 34.408 1.00 0.00 WT1 H ATOM 7230 H2 TIP3 1432 26.471 20.401 32.965 1.00 0.00 WT1 H ATOM 7231 OH2 TIP3 1433 34.444 23.594 25.172 1.00 0.00 WT1 O ATOM 7232 H1 TIP3 1433 34.480 24.497 24.856 1.00 0.00 WT1 H ATOM 7233 H2 TIP3 1433 33.805 23.615 25.884 1.00 0.00 WT1 H ATOM 7234 OH2 TIP3 1434 32.050 38.403 47.729 1.00 0.00 WT1 O ATOM 7235 H1 TIP3 1434 31.701 37.523 47.868 1.00 0.00 WT1 H ATOM 7236 H2 TIP3 1434 32.731 38.499 48.395 1.00 0.00 WT1 H ATOM 7237 OH2 TIP3 1435 81.451 93.848 11.648 1.00 0.00 WT1 O ATOM 7238 H1 TIP3 1435 81.872 93.408 10.909 1.00 0.00 WT1 H ATOM 7239 H2 TIP3 1435 81.062 93.138 12.159 1.00 0.00 WT1 H ATOM 7240 OH2 TIP3 1436 37.291 56.119 36.834 1.00 0.00 WT1 O ATOM 7241 H1 TIP3 1436 37.122 56.987 37.199 1.00 0.00 WT1 H ATOM 7242 H2 TIP3 1436 38.008 56.254 36.215 1.00 0.00 WT1 H ATOM 7243 OH2 TIP3 1437 52.631 81.829 16.993 1.00 0.00 WT1 O ATOM 7244 H1 TIP3 1437 53.360 81.869 16.374 1.00 0.00 WT1 H ATOM 7245 H2 TIP3 1437 51.871 81.609 16.454 1.00 0.00 WT1 H ATOM 7246 OH2 TIP3 1438 85.253 80.529 5.974 1.00 0.00 WT1 O ATOM 7247 H1 TIP3 1438 84.401 80.265 5.628 1.00 0.00 WT1 H ATOM 7248 H2 TIP3 1438 85.887 80.162 5.357 1.00 0.00 WT1 H ATOM 7249 OH2 TIP3 1439 25.690 35.045 -6.812 1.00 0.00 WT1 O ATOM 7250 H1 TIP3 1439 25.292 34.844 -7.659 1.00 0.00 WT1 H ATOM 7251 H2 TIP3 1439 26.396 35.658 -7.017 1.00 0.00 WT1 H ATOM 7252 OH2 TIP3 1440 66.624 41.721 45.653 1.00 0.00 WT1 O ATOM 7253 H1 TIP3 1440 66.836 42.377 44.989 1.00 0.00 WT1 H ATOM 7254 H2 TIP3 1440 65.669 41.660 45.633 1.00 0.00 WT1 H ATOM 7255 OH2 TIP3 1441 80.220 37.894 16.175 1.00 0.00 WT1 O ATOM 7256 H1 TIP3 1441 80.041 37.361 16.950 1.00 0.00 WT1 H ATOM 7257 H2 TIP3 1441 79.894 37.371 15.443 1.00 0.00 WT1 H ATOM 7258 OH2 TIP3 1442 55.848 12.408 29.438 1.00 0.00 WT1 O ATOM 7259 H1 TIP3 1442 55.392 12.645 30.246 1.00 0.00 WT1 H ATOM 7260 H2 TIP3 1442 56.149 13.243 29.078 1.00 0.00 WT1 H ATOM 7261 OH2 TIP3 1443 41.915 4.763 11.464 1.00 0.00 WT1 O ATOM 7262 H1 TIP3 1443 42.035 5.052 12.369 1.00 0.00 WT1 H ATOM 7263 H2 TIP3 1443 41.156 5.257 11.153 1.00 0.00 WT1 H ATOM 7264 OH2 TIP3 1444 27.541 85.006 16.810 1.00 0.00 WT1 O ATOM 7265 H1 TIP3 1444 27.570 85.512 15.998 1.00 0.00 WT1 H ATOM 7266 H2 TIP3 1444 28.242 84.362 16.717 1.00 0.00 WT1 H ATOM 7267 OH2 TIP3 1445 26.866 64.192 35.254 1.00 0.00 WT1 O ATOM 7268 H1 TIP3 1445 26.351 63.450 35.573 1.00 0.00 WT1 H ATOM 7269 H2 TIP3 1445 27.117 63.944 34.364 1.00 0.00 WT1 H ATOM 7270 OH2 TIP3 1446 32.517 22.080 53.252 1.00 0.00 WT1 O ATOM 7271 H1 TIP3 1446 33.201 22.736 53.389 1.00 0.00 WT1 H ATOM 7272 H2 TIP3 1446 32.975 21.332 52.869 1.00 0.00 WT1 H ATOM 7273 OH2 TIP3 1447 66.995 38.001 50.482 1.00 0.00 WT1 O ATOM 7274 H1 TIP3 1447 66.416 37.846 51.228 1.00 0.00 WT1 H ATOM 7275 H2 TIP3 1447 66.732 37.347 49.834 1.00 0.00 WT1 H ATOM 7276 OH2 TIP3 1448 31.589 42.661 14.370 1.00 0.00 WT1 O ATOM 7277 H1 TIP3 1448 31.797 42.616 15.304 1.00 0.00 WT1 H ATOM 7278 H2 TIP3 1448 32.192 43.317 14.022 1.00 0.00 WT1 H ATOM 7279 OH2 TIP3 1449 32.679 89.169 41.461 1.00 0.00 WT1 O ATOM 7280 H1 TIP3 1449 33.393 88.889 40.888 1.00 0.00 WT1 H ATOM 7281 H2 TIP3 1449 31.909 89.189 40.893 1.00 0.00 WT1 H ATOM 7282 OH2 TIP3 1450 65.122 22.666 4.053 1.00 0.00 WT1 O ATOM 7283 H1 TIP3 1450 65.442 22.080 3.367 1.00 0.00 WT1 H ATOM 7284 H2 TIP3 1450 65.386 22.244 4.871 1.00 0.00 WT1 H ATOM 7285 OH2 TIP3 1451 55.402 26.693 53.945 1.00 0.00 WT1 O ATOM 7286 H1 TIP3 1451 54.528 26.677 54.334 1.00 0.00 WT1 H ATOM 7287 H2 TIP3 1451 55.254 26.526 53.014 1.00 0.00 WT1 H ATOM 7288 OH2 TIP3 1453 38.503 36.672 63.584 1.00 0.00 WT1 O ATOM 7289 H1 TIP3 1453 39.327 36.859 63.134 1.00 0.00 WT1 H ATOM 7290 H2 TIP3 1453 38.227 37.516 63.941 1.00 0.00 WT1 H ATOM 7291 OH2 TIP3 1454 28.819 91.889 -7.661 1.00 0.00 WT1 O ATOM 7292 H1 TIP3 1454 28.149 91.206 -7.666 1.00 0.00 WT1 H ATOM 7293 H2 TIP3 1454 28.325 92.709 -7.675 1.00 0.00 WT1 H ATOM 7294 OH2 TIP3 1455 74.732 27.639 31.544 1.00 0.00 WT1 O ATOM 7295 H1 TIP3 1455 75.522 27.417 31.050 1.00 0.00 WT1 H ATOM 7296 H2 TIP3 1455 74.192 28.129 30.924 1.00 0.00 WT1 H ATOM 7297 OH2 TIP3 1456 34.842 7.065 10.950 1.00 0.00 WT1 O ATOM 7298 H1 TIP3 1456 35.467 6.593 10.400 1.00 0.00 WT1 H ATOM 7299 H2 TIP3 1456 35.075 6.817 11.845 1.00 0.00 WT1 H ATOM 7300 OH2 TIP3 1457 62.367 25.371 41.901 1.00 0.00 WT1 O ATOM 7301 H1 TIP3 1457 63.027 26.064 41.886 1.00 0.00 WT1 H ATOM 7302 H2 TIP3 1457 62.488 24.906 41.074 1.00 0.00 WT1 H ATOM 7303 OH2 TIP3 1458 65.845 14.144 3.042 1.00 0.00 WT1 O ATOM 7304 H1 TIP3 1458 66.560 14.557 3.527 1.00 0.00 WT1 H ATOM 7305 H2 TIP3 1458 66.115 13.231 2.945 1.00 0.00 WT1 H ATOM 7306 OH2 TIP3 1459 64.646 5.097 47.552 1.00 0.00 WT1 O ATOM 7307 H1 TIP3 1459 64.314 4.267 47.894 1.00 0.00 WT1 H ATOM 7308 H2 TIP3 1459 65.344 4.844 46.947 1.00 0.00 WT1 H ATOM 7309 OH2 TIP3 1461 39.951 92.271 58.307 1.00 0.00 WT1 O ATOM 7310 H1 TIP3 1461 39.868 93.144 57.924 1.00 0.00 WT1 H ATOM 7311 H2 TIP3 1461 40.891 92.161 58.452 1.00 0.00 WT1 H ATOM 7312 OH2 TIP3 1462 47.554 68.812 62.080 1.00 0.00 WT1 O ATOM 7313 H1 TIP3 1462 46.790 68.817 62.657 1.00 0.00 WT1 H ATOM 7314 H2 TIP3 1462 47.239 69.196 61.261 1.00 0.00 WT1 H ATOM 7315 OH2 TIP3 1463 36.176 23.294 64.361 1.00 0.00 WT1 O ATOM 7316 H1 TIP3 1463 36.997 23.704 64.087 1.00 0.00 WT1 H ATOM 7317 H2 TIP3 1463 36.444 22.479 64.785 1.00 0.00 WT1 H ATOM 7318 OH2 TIP3 1464 85.008 64.541 53.611 1.00 0.00 WT1 O ATOM 7319 H1 TIP3 1464 85.175 64.080 52.789 1.00 0.00 WT1 H ATOM 7320 H2 TIP3 1464 84.649 63.870 54.193 1.00 0.00 WT1 H ATOM 7321 OH2 TIP3 1466 35.488 76.332 32.823 1.00 0.00 WT1 O ATOM 7322 H1 TIP3 1466 36.360 76.511 32.471 1.00 0.00 WT1 H ATOM 7323 H2 TIP3 1466 35.552 76.562 33.750 1.00 0.00 WT1 H ATOM 7324 OH2 TIP3 1467 68.732 28.652 51.051 1.00 0.00 WT1 O ATOM 7325 H1 TIP3 1467 67.816 28.731 51.315 1.00 0.00 WT1 H ATOM 7326 H2 TIP3 1467 68.814 29.228 50.291 1.00 0.00 WT1 H ATOM 7327 OH2 TIP3 1468 51.053 14.229 55.453 1.00 0.00 WT1 O ATOM 7328 H1 TIP3 1468 50.755 13.562 54.834 1.00 0.00 WT1 H ATOM 7329 H2 TIP3 1468 51.183 15.012 54.918 1.00 0.00 WT1 H ATOM 7330 OH2 TIP3 1469 39.661 29.270 58.634 1.00 0.00 WT1 O ATOM 7331 H1 TIP3 1469 38.961 29.065 59.255 1.00 0.00 WT1 H ATOM 7332 H2 TIP3 1469 39.252 29.856 57.997 1.00 0.00 WT1 H ATOM 7333 OH2 TIP3 1470 20.701 5.810 63.356 1.00 0.00 WT1 O ATOM 7334 H1 TIP3 1470 21.305 5.094 63.159 1.00 0.00 WT1 H ATOM 7335 H2 TIP3 1470 21.244 6.598 63.323 1.00 0.00 WT1 H ATOM 7336 OH2 TIP3 1471 47.681 10.864 19.236 1.00 0.00 WT1 O ATOM 7337 H1 TIP3 1471 48.041 11.401 18.531 1.00 0.00 WT1 H ATOM 7338 H2 TIP3 1471 47.967 11.299 20.039 1.00 0.00 WT1 H ATOM 7339 OH2 TIP3 1472 41.855 61.896 -16.383 1.00 0.00 WT1 O ATOM 7340 H1 TIP3 1472 41.380 61.585 -15.612 1.00 0.00 WT1 H ATOM 7341 H2 TIP3 1472 42.686 62.222 -16.037 1.00 0.00 WT1 H ATOM 7342 OH2 TIP3 1473 59.471 44.149 31.461 1.00 0.00 WT1 O ATOM 7343 H1 TIP3 1473 60.405 43.940 31.427 1.00 0.00 WT1 H ATOM 7344 H2 TIP3 1473 59.434 45.100 31.362 1.00 0.00 WT1 H ATOM 7345 OH2 TIP3 1474 57.238 2.658 57.872 1.00 0.00 WT1 O ATOM 7346 H1 TIP3 1474 56.706 3.028 57.168 1.00 0.00 WT1 H ATOM 7347 H2 TIP3 1474 56.962 3.131 58.657 1.00 0.00 WT1 H ATOM 7348 OH2 TIP3 1475 38.096 37.603 7.138 1.00 0.00 WT1 O ATOM 7349 H1 TIP3 1475 37.721 37.756 8.006 1.00 0.00 WT1 H ATOM 7350 H2 TIP3 1475 39.007 37.886 7.217 1.00 0.00 WT1 H ATOM 7351 OH2 TIP3 1476 39.138 39.017 18.918 1.00 0.00 WT1 O ATOM 7352 H1 TIP3 1476 39.900 38.639 19.357 1.00 0.00 WT1 H ATOM 7353 H2 TIP3 1476 39.203 38.707 18.015 1.00 0.00 WT1 H ATOM 7354 OH2 TIP3 1477 39.652 50.437 14.929 1.00 0.00 WT1 O ATOM 7355 H1 TIP3 1477 39.514 51.120 15.585 1.00 0.00 WT1 H ATOM 7356 H2 TIP3 1477 40.589 50.471 14.739 1.00 0.00 WT1 H ATOM 7357 OH2 TIP3 1478 28.622 66.260 62.208 1.00 0.00 WT1 O ATOM 7358 H1 TIP3 1478 28.451 66.350 61.270 1.00 0.00 WT1 H ATOM 7359 H2 TIP3 1478 29.551 66.036 62.262 1.00 0.00 WT1 H ATOM 7360 OH2 TIP3 1479 40.399 28.944 44.664 1.00 0.00 WT1 O ATOM 7361 H1 TIP3 1479 41.261 28.694 44.331 1.00 0.00 WT1 H ATOM 7362 H2 TIP3 1479 40.584 29.569 45.365 1.00 0.00 WT1 H ATOM 7363 OH2 TIP3 1480 45.365 17.679 -1.141 1.00 0.00 WT1 O ATOM 7364 H1 TIP3 1480 45.632 18.461 -1.625 1.00 0.00 WT1 H ATOM 7365 H2 TIP3 1480 46.161 17.150 -1.083 1.00 0.00 WT1 H ATOM 7366 OH2 TIP3 1482 70.912 5.048 17.679 1.00 0.00 WT1 O ATOM 7367 H1 TIP3 1482 70.061 5.119 17.247 1.00 0.00 WT1 H ATOM 7368 H2 TIP3 1482 71.495 5.594 17.151 1.00 0.00 WT1 H ATOM 7369 OH2 TIP3 1483 68.012 33.999 17.025 1.00 0.00 WT1 O ATOM 7370 H1 TIP3 1483 67.245 33.617 17.453 1.00 0.00 WT1 H ATOM 7371 H2 TIP3 1483 67.745 34.893 16.810 1.00 0.00 WT1 H ATOM 7372 OH2 TIP3 1484 31.053 14.726 23.137 1.00 0.00 WT1 O ATOM 7373 H1 TIP3 1484 31.698 15.348 22.802 1.00 0.00 WT1 H ATOM 7374 H2 TIP3 1484 30.329 14.771 22.512 1.00 0.00 WT1 H ATOM 7375 OH2 TIP3 1485 86.997 31.329 48.727 1.00 0.00 WT1 O ATOM 7376 H1 TIP3 1485 87.029 30.372 48.734 1.00 0.00 WT1 H ATOM 7377 H2 TIP3 1485 87.843 31.594 48.364 1.00 0.00 WT1 H ATOM 7378 OH2 TIP3 1486 32.865 32.274 13.746 1.00 0.00 WT1 O ATOM 7379 H1 TIP3 1486 33.632 31.997 13.245 1.00 0.00 WT1 H ATOM 7380 H2 TIP3 1486 33.177 33.009 14.275 1.00 0.00 WT1 H ATOM 7381 OH2 TIP3 1487 47.032 12.124 -12.997 1.00 0.00 WT1 O ATOM 7382 H1 TIP3 1487 47.880 11.754 -13.240 1.00 0.00 WT1 H ATOM 7383 H2 TIP3 1487 47.240 12.988 -12.640 1.00 0.00 WT1 H ATOM 7384 OH2 TIP3 1488 79.632 47.309 41.945 1.00 0.00 WT1 O ATOM 7385 H1 TIP3 1488 78.999 46.649 42.225 1.00 0.00 WT1 H ATOM 7386 H2 TIP3 1488 79.192 47.779 41.237 1.00 0.00 WT1 H ATOM 7387 OH2 TIP3 1489 61.110 43.750 52.693 1.00 0.00 WT1 O ATOM 7388 H1 TIP3 1489 61.196 42.957 53.223 1.00 0.00 WT1 H ATOM 7389 H2 TIP3 1489 60.210 43.724 52.367 1.00 0.00 WT1 H ATOM 7390 OH2 TIP3 1490 59.563 55.205 37.586 1.00 0.00 WT1 O ATOM 7391 H1 TIP3 1490 60.283 55.215 36.956 1.00 0.00 WT1 H ATOM 7392 H2 TIP3 1490 58.896 55.772 37.198 1.00 0.00 WT1 H ATOM 7393 OH2 TIP3 1491 28.360 8.087 -18.405 1.00 0.00 WT1 O ATOM 7394 H1 TIP3 1491 29.206 7.974 -18.838 1.00 0.00 WT1 H ATOM 7395 H2 TIP3 1491 27.787 7.448 -18.828 1.00 0.00 WT1 H ATOM 7396 OH2 TIP3 1492 48.450 21.169 4.967 1.00 0.00 WT1 O ATOM 7397 H1 TIP3 1492 49.304 21.544 4.750 1.00 0.00 WT1 H ATOM 7398 H2 TIP3 1492 48.599 20.687 5.781 1.00 0.00 WT1 H ATOM 7399 OH2 TIP3 1493 87.058 30.681 66.246 1.00 0.00 WT1 O ATOM 7400 H1 TIP3 1493 86.526 30.915 67.006 1.00 0.00 WT1 H ATOM 7401 H2 TIP3 1493 87.336 31.521 65.879 1.00 0.00 WT1 H ATOM 7402 OH2 TIP3 1494 65.088 93.962 61.507 1.00 0.00 WT1 O ATOM 7403 H1 TIP3 1494 65.612 94.457 60.876 1.00 0.00 WT1 H ATOM 7404 H2 TIP3 1494 65.291 94.362 62.352 1.00 0.00 WT1 H ATOM 7405 OH2 TIP3 1495 25.153 96.793 -0.141 1.00 0.00 WT1 O ATOM 7406 H1 TIP3 1495 25.618 96.369 -0.862 1.00 0.00 WT1 H ATOM 7407 H2 TIP3 1495 25.584 96.464 0.648 1.00 0.00 WT1 H ATOM 7408 OH2 TIP3 1496 29.912 48.051 50.715 1.00 0.00 WT1 O ATOM 7409 H1 TIP3 1496 29.680 47.723 51.585 1.00 0.00 WT1 H ATOM 7410 H2 TIP3 1496 29.920 47.271 50.160 1.00 0.00 WT1 H ATOM 7411 OH2 TIP3 1497 36.072 91.282 15.576 1.00 0.00 WT1 O ATOM 7412 H1 TIP3 1497 37.006 91.446 15.707 1.00 0.00 WT1 H ATOM 7413 H2 TIP3 1497 36.033 90.717 14.805 1.00 0.00 WT1 H ATOM 7414 OH2 TIP3 1498 64.805 81.859 -8.305 1.00 0.00 WT1 O ATOM 7415 H1 TIP3 1498 65.547 82.262 -8.757 1.00 0.00 WT1 H ATOM 7416 H2 TIP3 1498 65.199 81.181 -7.755 1.00 0.00 WT1 H ATOM 7417 OH2 TIP3 1499 89.635 93.881 -17.466 1.00 0.00 WT1 O ATOM 7418 H1 TIP3 1499 88.811 93.673 -17.025 1.00 0.00 WT1 H ATOM 7419 H2 TIP3 1499 90.044 94.544 -16.910 1.00 0.00 WT1 H ATOM 7420 OH2 TIP3 1500 25.994 32.764 -2.290 1.00 0.00 WT1 O ATOM 7421 H1 TIP3 1500 25.062 32.913 -2.133 1.00 0.00 WT1 H ATOM 7422 H2 TIP3 1500 26.258 33.480 -2.868 1.00 0.00 WT1 H ATOM 7423 OH2 TIP3 1501 76.536 71.169 38.641 1.00 0.00 WT1 O ATOM 7424 H1 TIP3 1501 77.430 71.227 38.305 1.00 0.00 WT1 H ATOM 7425 H2 TIP3 1501 76.067 70.650 37.987 1.00 0.00 WT1 H ATOM 7426 OH2 TIP3 1502 52.070 40.440 42.404 1.00 0.00 WT1 O ATOM 7427 H1 TIP3 1502 51.617 39.971 41.703 1.00 0.00 WT1 H ATOM 7428 H2 TIP3 1502 51.921 41.365 42.210 1.00 0.00 WT1 H ATOM 7429 OH2 TIP3 1503 23.347 41.332 0.505 1.00 0.00 WT1 O ATOM 7430 H1 TIP3 1503 22.619 40.896 0.948 1.00 0.00 WT1 H ATOM 7431 H2 TIP3 1503 23.995 41.477 1.195 1.00 0.00 WT1 H ATOM 7432 OH2 TIP3 1504 35.809 35.043 11.668 1.00 0.00 WT1 O ATOM 7433 H1 TIP3 1504 36.191 35.698 11.085 1.00 0.00 WT1 H ATOM 7434 H2 TIP3 1504 34.879 35.034 11.442 1.00 0.00 WT1 H ATOM 7435 OH2 TIP3 1505 34.236 79.353 22.406 1.00 0.00 WT1 O ATOM 7436 H1 TIP3 1505 35.019 78.843 22.197 1.00 0.00 WT1 H ATOM 7437 H2 TIP3 1505 33.621 79.149 21.701 1.00 0.00 WT1 H ATOM 7438 OH2 TIP3 1508 37.515 11.520 28.386 1.00 0.00 WT1 O ATOM 7439 H1 TIP3 1508 37.658 10.583 28.252 1.00 0.00 WT1 H ATOM 7440 H2 TIP3 1508 37.181 11.835 27.546 1.00 0.00 WT1 H ATOM 7441 OH2 TIP3 1509 21.523 13.932 56.132 1.00 0.00 WT1 O ATOM 7442 H1 TIP3 1509 21.281 14.857 56.087 1.00 0.00 WT1 H ATOM 7443 H2 TIP3 1509 21.360 13.685 57.042 1.00 0.00 WT1 H ATOM 7444 OH2 TIP3 1510 73.914 40.262 59.372 1.00 0.00 WT1 O ATOM 7445 H1 TIP3 1510 73.001 40.417 59.611 1.00 0.00 WT1 H ATOM 7446 H2 TIP3 1510 73.869 39.657 58.631 1.00 0.00 WT1 H ATOM 7447 OH2 TIP3 1511 65.887 33.859 19.292 1.00 0.00 WT1 O ATOM 7448 H1 TIP3 1511 65.646 34.758 19.513 1.00 0.00 WT1 H ATOM 7449 H2 TIP3 1511 65.070 33.365 19.372 1.00 0.00 WT1 H ATOM 7450 OH2 TIP3 1512 82.394 29.983 65.172 1.00 0.00 WT1 O ATOM 7451 H1 TIP3 1512 81.723 29.617 64.597 1.00 0.00 WT1 H ATOM 7452 H2 TIP3 1512 82.143 29.694 66.049 1.00 0.00 WT1 H ATOM 7453 OH2 TIP3 1514 73.259 25.512 11.145 1.00 0.00 WT1 O ATOM 7454 H1 TIP3 1514 73.048 25.139 12.001 1.00 0.00 WT1 H ATOM 7455 H2 TIP3 1514 73.125 24.792 10.529 1.00 0.00 WT1 H ATOM 7456 OH2 TIP3 1515 74.007 25.915 53.860 1.00 0.00 WT1 O ATOM 7457 H1 TIP3 1515 74.767 25.335 53.808 1.00 0.00 WT1 H ATOM 7458 H2 TIP3 1515 74.310 26.742 53.485 1.00 0.00 WT1 H ATOM 7459 OH2 TIP3 1516 57.420 45.413 -3.359 1.00 0.00 WT1 O ATOM 7460 H1 TIP3 1516 57.076 44.712 -2.806 1.00 0.00 WT1 H ATOM 7461 H2 TIP3 1516 57.675 46.101 -2.744 1.00 0.00 WT1 H ATOM 7462 OH2 TIP3 1517 46.023 46.252 -2.261 1.00 0.00 WT1 O ATOM 7463 H1 TIP3 1517 46.316 47.137 -2.476 1.00 0.00 WT1 H ATOM 7464 H2 TIP3 1517 45.231 46.382 -1.739 1.00 0.00 WT1 H ATOM 7465 OH2 TIP3 1518 81.136 55.940 49.031 1.00 0.00 WT1 O ATOM 7466 H1 TIP3 1518 80.680 56.458 49.694 1.00 0.00 WT1 H ATOM 7467 H2 TIP3 1518 80.839 56.304 48.197 1.00 0.00 WT1 H ATOM 7468 OH2 TIP3 1519 48.377 12.305 59.532 1.00 0.00 WT1 O ATOM 7469 H1 TIP3 1519 48.035 11.416 59.447 1.00 0.00 WT1 H ATOM 7470 H2 TIP3 1519 49.323 12.210 59.420 1.00 0.00 WT1 H ATOM 7471 OH2 TIP3 1520 82.717 15.364 3.796 1.00 0.00 WT1 O ATOM 7472 H1 TIP3 1520 82.728 16.286 4.052 1.00 0.00 WT1 H ATOM 7473 H2 TIP3 1520 81.788 15.149 3.713 1.00 0.00 WT1 H ATOM 7474 OH2 TIP3 1521 55.569 65.280 42.551 1.00 0.00 WT1 O ATOM 7475 H1 TIP3 1521 56.307 64.792 42.186 1.00 0.00 WT1 H ATOM 7476 H2 TIP3 1521 54.802 64.746 42.342 1.00 0.00 WT1 H ATOM 7477 OH2 TIP3 1522 61.912 70.943 28.751 1.00 0.00 WT1 O ATOM 7478 H1 TIP3 1522 61.308 71.278 28.089 1.00 0.00 WT1 H ATOM 7479 H2 TIP3 1522 61.477 70.167 29.103 1.00 0.00 WT1 H ATOM 7480 OH2 TIP3 1523 28.440 44.745 64.937 1.00 0.00 WT1 O ATOM 7481 H1 TIP3 1523 28.464 45.690 65.092 1.00 0.00 WT1 H ATOM 7482 H2 TIP3 1523 29.212 44.571 64.398 1.00 0.00 WT1 H ATOM 7483 OH2 TIP3 1524 71.504 40.810 22.156 1.00 0.00 WT1 O ATOM 7484 H1 TIP3 1524 71.314 40.845 21.219 1.00 0.00 WT1 H ATOM 7485 H2 TIP3 1524 70.747 41.224 22.570 1.00 0.00 WT1 H ATOM 7486 OH2 TIP3 1525 35.854 7.213 -3.173 1.00 0.00 WT1 O ATOM 7487 H1 TIP3 1525 36.320 7.077 -2.348 1.00 0.00 WT1 H ATOM 7488 H2 TIP3 1525 35.211 6.505 -3.205 1.00 0.00 WT1 H ATOM 7489 OH2 TIP3 1527 75.357 36.838 16.045 1.00 0.00 WT1 O ATOM 7490 H1 TIP3 1527 75.562 37.004 15.125 1.00 0.00 WT1 H ATOM 7491 H2 TIP3 1527 75.105 35.915 16.071 1.00 0.00 WT1 H ATOM 7492 OH2 TIP3 1530 38.316 64.914 41.897 1.00 0.00 WT1 O ATOM 7493 H1 TIP3 1530 38.197 65.282 41.021 1.00 0.00 WT1 H ATOM 7494 H2 TIP3 1530 38.333 65.676 42.476 1.00 0.00 WT1 H ATOM 7495 OH2 TIP3 1531 75.585 37.742 59.834 1.00 0.00 WT1 O ATOM 7496 H1 TIP3 1531 76.423 37.647 59.381 1.00 0.00 WT1 H ATOM 7497 H2 TIP3 1531 74.999 38.116 59.176 1.00 0.00 WT1 H ATOM 7498 OH2 TIP3 1532 34.556 80.480 -12.831 1.00 0.00 WT1 O ATOM 7499 H1 TIP3 1532 34.143 80.659 -11.987 1.00 0.00 WT1 H ATOM 7500 H2 TIP3 1532 35.195 81.185 -12.940 1.00 0.00 WT1 H ATOM 7501 OH2 TIP3 1533 63.422 39.754 66.435 1.00 0.00 WT1 O ATOM 7502 H1 TIP3 1533 62.895 39.168 66.980 1.00 0.00 WT1 H ATOM 7503 H2 TIP3 1533 64.207 39.923 66.955 1.00 0.00 WT1 H ATOM 7504 OH2 TIP3 1534 41.242 28.150 -3.089 1.00 0.00 WT1 O ATOM 7505 H1 TIP3 1534 41.888 27.476 -3.302 1.00 0.00 WT1 H ATOM 7506 H2 TIP3 1534 40.535 27.676 -2.652 1.00 0.00 WT1 H ATOM 7507 OH2 TIP3 1536 75.487 76.829 19.005 1.00 0.00 WT1 O ATOM 7508 H1 TIP3 1536 75.260 76.937 19.928 1.00 0.00 WT1 H ATOM 7509 H2 TIP3 1536 75.079 76.000 18.753 1.00 0.00 WT1 H ATOM 7510 OH2 TIP3 1537 70.969 48.599 20.017 1.00 0.00 WT1 O ATOM 7511 H1 TIP3 1537 70.970 48.022 20.781 1.00 0.00 WT1 H ATOM 7512 H2 TIP3 1537 70.055 48.868 19.921 1.00 0.00 WT1 H ATOM 7513 OH2 TIP3 1538 41.853 80.703 12.193 1.00 0.00 WT1 O ATOM 7514 H1 TIP3 1538 42.760 80.837 12.470 1.00 0.00 WT1 H ATOM 7515 H2 TIP3 1538 41.832 79.802 11.871 1.00 0.00 WT1 H ATOM 7516 OH2 TIP3 1539 83.852 67.678 0.668 1.00 0.00 WT1 O ATOM 7517 H1 TIP3 1539 83.548 67.220 -0.116 1.00 0.00 WT1 H ATOM 7518 H2 TIP3 1539 83.106 67.646 1.268 1.00 0.00 WT1 H ATOM 7519 OH2 TIP3 1540 26.175 12.221 49.508 1.00 0.00 WT1 O ATOM 7520 H1 TIP3 1540 25.673 11.910 48.754 1.00 0.00 WT1 H ATOM 7521 H2 TIP3 1540 27.051 12.389 49.160 1.00 0.00 WT1 H ATOM 7522 OH2 TIP3 1541 77.863 47.812 48.845 1.00 0.00 WT1 O ATOM 7523 H1 TIP3 1541 77.517 48.685 49.032 1.00 0.00 WT1 H ATOM 7524 H2 TIP3 1541 77.516 47.596 47.980 1.00 0.00 WT1 H ATOM 7525 OH2 TIP3 1542 88.490 29.852 19.325 1.00 0.00 WT1 O ATOM 7526 H1 TIP3 1542 89.177 29.187 19.367 1.00 0.00 WT1 H ATOM 7527 H2 TIP3 1542 88.415 30.177 20.222 1.00 0.00 WT1 H ATOM 7528 OH2 TIP3 1543 63.763 19.361 6.455 1.00 0.00 WT1 O ATOM 7529 H1 TIP3 1543 63.749 20.277 6.732 1.00 0.00 WT1 H ATOM 7530 H2 TIP3 1543 64.532 18.991 6.889 1.00 0.00 WT1 H ATOM 7531 OH2 TIP3 1544 41.278 61.149 -18.822 1.00 0.00 WT1 O ATOM 7532 H1 TIP3 1544 41.674 61.468 -18.010 1.00 0.00 WT1 H ATOM 7533 H2 TIP3 1544 40.476 60.710 -18.541 1.00 0.00 WT1 H ATOM 7534 OH2 TIP3 1545 43.899 73.261 66.250 1.00 0.00 WT1 O ATOM 7535 H1 TIP3 1545 44.150 72.381 66.531 1.00 0.00 WT1 H ATOM 7536 H2 TIP3 1545 42.945 73.228 66.180 1.00 0.00 WT1 H ATOM 7537 OH2 TIP3 1546 62.023 21.861 42.622 1.00 0.00 WT1 O ATOM 7538 H1 TIP3 1546 62.066 21.339 41.821 1.00 0.00 WT1 H ATOM 7539 H2 TIP3 1546 61.575 22.665 42.361 1.00 0.00 WT1 H ATOM 7540 OH2 TIP3 1548 38.000 79.564 -14.350 1.00 0.00 WT1 O ATOM 7541 H1 TIP3 1548 38.377 79.530 -13.471 1.00 0.00 WT1 H ATOM 7542 H2 TIP3 1548 37.087 79.300 -14.230 1.00 0.00 WT1 H ATOM 7543 OH2 TIP3 1549 81.611 48.236 49.595 1.00 0.00 WT1 O ATOM 7544 H1 TIP3 1549 81.809 48.533 50.483 1.00 0.00 WT1 H ATOM 7545 H2 TIP3 1549 81.125 48.961 49.201 1.00 0.00 WT1 H ATOM 7546 OH2 TIP3 1550 41.005 72.206 28.468 1.00 0.00 WT1 O ATOM 7547 H1 TIP3 1550 41.546 71.644 29.022 1.00 0.00 WT1 H ATOM 7548 H2 TIP3 1550 41.417 72.161 27.605 1.00 0.00 WT1 H ATOM 7549 OH2 TIP3 1551 21.212 12.003 47.168 1.00 0.00 WT1 O ATOM 7550 H1 TIP3 1551 20.552 11.413 46.804 1.00 0.00 WT1 H ATOM 7551 H2 TIP3 1551 21.612 12.417 46.404 1.00 0.00 WT1 H ATOM 7552 OH2 TIP3 1552 63.046 92.305 14.651 1.00 0.00 WT1 O ATOM 7553 H1 TIP3 1552 62.895 92.097 15.573 1.00 0.00 WT1 H ATOM 7554 H2 TIP3 1552 63.926 91.974 14.471 1.00 0.00 WT1 H ATOM 7555 OH2 TIP3 1553 37.626 44.676 36.063 1.00 0.00 WT1 O ATOM 7556 H1 TIP3 1553 38.098 43.851 36.179 1.00 0.00 WT1 H ATOM 7557 H2 TIP3 1553 38.266 45.265 35.664 1.00 0.00 WT1 H ATOM 7558 OH2 TIP3 1554 50.292 64.394 -15.752 1.00 0.00 WT1 O ATOM 7559 H1 TIP3 1554 49.568 63.790 -15.587 1.00 0.00 WT1 H ATOM 7560 H2 TIP3 1554 51.042 63.996 -15.311 1.00 0.00 WT1 H ATOM 7561 OH2 TIP3 1555 33.389 28.663 -10.327 1.00 0.00 WT1 O ATOM 7562 H1 TIP3 1555 33.418 28.777 -9.377 1.00 0.00 WT1 H ATOM 7563 H2 TIP3 1555 33.265 27.722 -10.453 1.00 0.00 WT1 H ATOM 7564 OH2 TIP3 1556 37.675 55.972 6.419 1.00 0.00 WT1 O ATOM 7565 H1 TIP3 1556 38.491 55.803 5.947 1.00 0.00 WT1 H ATOM 7566 H2 TIP3 1556 37.691 55.358 7.153 1.00 0.00 WT1 H ATOM 7567 OH2 TIP3 1557 50.355 25.171 -6.318 1.00 0.00 WT1 O ATOM 7568 H1 TIP3 1557 50.733 24.788 -7.110 1.00 0.00 WT1 H ATOM 7569 H2 TIP3 1557 50.693 26.067 -6.299 1.00 0.00 WT1 H ATOM 7570 OH2 TIP3 1558 24.416 31.808 25.926 1.00 0.00 WT1 O ATOM 7571 H1 TIP3 1558 24.630 32.713 26.151 1.00 0.00 WT1 H ATOM 7572 H2 TIP3 1558 24.886 31.646 25.108 1.00 0.00 WT1 H ATOM 7573 OH2 TIP3 1559 53.178 74.148 25.583 1.00 0.00 WT1 O ATOM 7574 H1 TIP3 1559 53.995 74.269 25.099 1.00 0.00 WT1 H ATOM 7575 H2 TIP3 1559 52.558 73.822 24.930 1.00 0.00 WT1 H ATOM 7576 OH2 TIP3 1560 66.188 49.962 -14.290 1.00 0.00 WT1 O ATOM 7577 H1 TIP3 1560 66.571 50.813 -14.076 1.00 0.00 WT1 H ATOM 7578 H2 TIP3 1560 66.093 49.522 -13.445 1.00 0.00 WT1 H ATOM 7579 OH2 TIP3 1561 35.367 12.950 39.973 1.00 0.00 WT1 O ATOM 7580 H1 TIP3 1561 36.060 13.302 40.531 1.00 0.00 WT1 H ATOM 7581 H2 TIP3 1561 35.138 13.674 39.390 1.00 0.00 WT1 H ATOM 7582 OH2 TIP3 1562 29.511 79.952 -1.446 1.00 0.00 WT1 O ATOM 7583 H1 TIP3 1562 30.457 79.819 -1.509 1.00 0.00 WT1 H ATOM 7584 H2 TIP3 1562 29.332 79.958 -0.506 1.00 0.00 WT1 H ATOM 7585 OH2 TIP3 1563 43.489 43.608 38.771 1.00 0.00 WT1 O ATOM 7586 H1 TIP3 1563 43.934 44.455 38.756 1.00 0.00 WT1 H ATOM 7587 H2 TIP3 1563 44.182 42.970 38.603 1.00 0.00 WT1 H ATOM 7588 OH2 TIP3 1564 36.969 95.020 -15.295 1.00 0.00 WT1 O ATOM 7589 H1 TIP3 1564 37.847 95.098 -14.921 1.00 0.00 WT1 H ATOM 7590 H2 TIP3 1564 36.507 95.800 -14.988 1.00 0.00 WT1 H ATOM 7591 OH2 TIP3 1565 88.061 6.610 -4.732 1.00 0.00 WT1 O ATOM 7592 H1 TIP3 1565 88.056 7.480 -5.130 1.00 0.00 WT1 H ATOM 7593 H2 TIP3 1565 87.849 6.015 -5.452 1.00 0.00 WT1 H ATOM 7594 OH2 TIP3 1566 84.709 20.487 63.366 1.00 0.00 WT1 O ATOM 7595 H1 TIP3 1566 84.570 20.740 64.279 1.00 0.00 WT1 H ATOM 7596 H2 TIP3 1566 84.622 21.303 62.874 1.00 0.00 WT1 H ATOM 7597 OH2 TIP3 1567 43.640 50.293 25.501 1.00 0.00 WT1 O ATOM 7598 H1 TIP3 1567 44.497 50.231 25.079 1.00 0.00 WT1 H ATOM 7599 H2 TIP3 1567 43.208 49.465 25.289 1.00 0.00 WT1 H ATOM 7600 OH2 TIP3 1569 56.342 55.049 18.282 1.00 0.00 WT1 O ATOM 7601 H1 TIP3 1569 55.565 54.492 18.271 1.00 0.00 WT1 H ATOM 7602 H2 TIP3 1569 56.151 55.741 17.648 1.00 0.00 WT1 H ATOM 7603 OH2 TIP3 1570 83.654 25.316 30.854 1.00 0.00 WT1 O ATOM 7604 H1 TIP3 1570 83.415 25.405 31.777 1.00 0.00 WT1 H ATOM 7605 H2 TIP3 1570 84.581 25.551 30.822 1.00 0.00 WT1 H ATOM 7606 OH2 TIP3 1571 34.936 79.517 44.032 1.00 0.00 WT1 O ATOM 7607 H1 TIP3 1571 34.136 78.993 44.075 1.00 0.00 WT1 H ATOM 7608 H2 TIP3 1571 35.632 78.915 44.293 1.00 0.00 WT1 H ATOM 7609 OH2 TIP3 1572 35.329 10.517 60.351 1.00 0.00 WT1 O ATOM 7610 H1 TIP3 1572 35.142 9.632 60.664 1.00 0.00 WT1 H ATOM 7611 H2 TIP3 1572 35.104 11.085 61.088 1.00 0.00 WT1 H ATOM 7612 OH2 TIP3 1574 71.178 42.412 26.296 1.00 0.00 WT1 O ATOM 7613 H1 TIP3 1574 71.433 42.120 25.420 1.00 0.00 WT1 H ATOM 7614 H2 TIP3 1574 70.245 42.615 26.218 1.00 0.00 WT1 H ATOM 7615 OH2 TIP3 1575 68.192 96.696 38.365 1.00 0.00 WT1 O ATOM 7616 H1 TIP3 1575 68.906 97.228 38.013 1.00 0.00 WT1 H ATOM 7617 H2 TIP3 1575 68.465 95.793 38.208 1.00 0.00 WT1 H ATOM 7618 OH2 TIP3 1576 27.717 41.712 58.548 1.00 0.00 WT1 O ATOM 7619 H1 TIP3 1576 27.987 41.650 57.632 1.00 0.00 WT1 H ATOM 7620 H2 TIP3 1576 28.436 41.314 59.038 1.00 0.00 WT1 H ATOM 7621 OH2 TIP3 1577 25.247 35.697 -9.574 1.00 0.00 WT1 O ATOM 7622 H1 TIP3 1577 24.670 35.144 -10.102 1.00 0.00 WT1 H ATOM 7623 H2 TIP3 1577 25.488 36.417 -10.157 1.00 0.00 WT1 H ATOM 7624 OH2 TIP3 1578 45.396 41.411 38.129 1.00 0.00 WT1 O ATOM 7625 H1 TIP3 1578 45.771 40.589 38.446 1.00 0.00 WT1 H ATOM 7626 H2 TIP3 1578 44.867 41.158 37.373 1.00 0.00 WT1 H ATOM 7627 OH2 TIP3 1579 46.262 40.849 -6.733 1.00 0.00 WT1 O ATOM 7628 H1 TIP3 1579 46.695 40.309 -7.394 1.00 0.00 WT1 H ATOM 7629 H2 TIP3 1579 46.910 41.518 -6.508 1.00 0.00 WT1 H ATOM 7630 OH2 TIP3 1580 26.938 68.674 -12.942 1.00 0.00 WT1 O ATOM 7631 H1 TIP3 1580 27.672 69.287 -12.990 1.00 0.00 WT1 H ATOM 7632 H2 TIP3 1580 26.637 68.731 -12.035 1.00 0.00 WT1 H ATOM 7633 OH2 TIP3 1581 74.742 34.793 -9.498 1.00 0.00 WT1 O ATOM 7634 H1 TIP3 1581 75.355 34.730 -8.766 1.00 0.00 WT1 H ATOM 7635 H2 TIP3 1581 74.798 33.942 -9.933 1.00 0.00 WT1 H ATOM 7636 OH2 TIP3 1582 43.681 8.676 34.353 1.00 0.00 WT1 O ATOM 7637 H1 TIP3 1582 44.442 8.168 34.634 1.00 0.00 WT1 H ATOM 7638 H2 TIP3 1582 44.032 9.545 34.159 1.00 0.00 WT1 H ATOM 7639 OH2 TIP3 1583 23.744 24.578 1.826 1.00 0.00 WT1 O ATOM 7640 H1 TIP3 1583 23.232 25.355 2.051 1.00 0.00 WT1 H ATOM 7641 H2 TIP3 1583 24.376 24.887 1.177 1.00 0.00 WT1 H ATOM 7642 OH2 TIP3 1584 39.442 16.356 24.670 1.00 0.00 WT1 O ATOM 7643 H1 TIP3 1584 39.138 15.505 24.355 1.00 0.00 WT1 H ATOM 7644 H2 TIP3 1584 39.351 16.305 25.622 1.00 0.00 WT1 H ATOM 7645 OH2 TIP3 1585 41.144 74.164 -11.276 1.00 0.00 WT1 O ATOM 7646 H1 TIP3 1585 41.338 73.530 -10.586 1.00 0.00 WT1 H ATOM 7647 H2 TIP3 1585 41.468 74.998 -10.935 1.00 0.00 WT1 H ATOM 7648 OH2 TIP3 1586 40.344 39.280 31.429 1.00 0.00 WT1 O ATOM 7649 H1 TIP3 1586 41.208 39.474 31.792 1.00 0.00 WT1 H ATOM 7650 H2 TIP3 1586 40.525 38.877 30.580 1.00 0.00 WT1 H ATOM 7651 OH2 TIP3 1587 63.667 24.923 63.666 1.00 0.00 WT1 O ATOM 7652 H1 TIP3 1587 64.299 25.562 63.336 1.00 0.00 WT1 H ATOM 7653 H2 TIP3 1587 62.853 25.419 63.762 1.00 0.00 WT1 H ATOM 7654 OH2 TIP3 1588 57.499 46.484 18.382 1.00 0.00 WT1 O ATOM 7655 H1 TIP3 1588 56.936 46.984 18.973 1.00 0.00 WT1 H ATOM 7656 H2 TIP3 1588 57.639 47.066 17.635 1.00 0.00 WT1 H ATOM 7657 OH2 TIP3 1589 85.506 21.482 -10.356 1.00 0.00 WT1 O ATOM 7658 H1 TIP3 1589 84.629 21.732 -10.648 1.00 0.00 WT1 H ATOM 7659 H2 TIP3 1589 85.357 20.797 -9.705 1.00 0.00 WT1 H ATOM 7660 OH2 TIP3 1590 31.824 51.642 44.330 1.00 0.00 WT1 O ATOM 7661 H1 TIP3 1590 32.548 51.037 44.493 1.00 0.00 WT1 H ATOM 7662 H2 TIP3 1590 32.130 52.481 44.673 1.00 0.00 WT1 H ATOM 7663 OH2 TIP3 1591 40.612 18.400 9.777 1.00 0.00 WT1 O ATOM 7664 H1 TIP3 1591 41.485 18.122 9.501 1.00 0.00 WT1 H ATOM 7665 H2 TIP3 1591 40.392 17.816 10.503 1.00 0.00 WT1 H ATOM 7666 OH2 TIP3 1592 82.494 64.334 9.582 1.00 0.00 WT1 O ATOM 7667 H1 TIP3 1592 82.641 63.934 10.439 1.00 0.00 WT1 H ATOM 7668 H2 TIP3 1592 81.673 63.951 9.275 1.00 0.00 WT1 H ATOM 7669 OH2 TIP3 1594 34.278 31.590 62.916 1.00 0.00 WT1 O ATOM 7670 H1 TIP3 1594 33.852 31.447 63.761 1.00 0.00 WT1 H ATOM 7671 H2 TIP3 1594 33.622 31.329 62.270 1.00 0.00 WT1 H ATOM 7672 OH2 TIP3 1596 70.124 2.940 53.136 1.00 0.00 WT1 O ATOM 7673 H1 TIP3 1596 69.260 2.595 52.909 1.00 0.00 WT1 H ATOM 7674 H2 TIP3 1596 70.715 2.547 52.493 1.00 0.00 WT1 H ATOM 7675 OH2 TIP3 1597 83.871 32.520 -7.969 1.00 0.00 WT1 O ATOM 7676 H1 TIP3 1597 84.023 31.579 -7.877 1.00 0.00 WT1 H ATOM 7677 H2 TIP3 1597 84.121 32.888 -7.122 1.00 0.00 WT1 H ATOM 7678 OH2 TIP3 1598 36.421 57.033 42.492 1.00 0.00 WT1 O ATOM 7679 H1 TIP3 1598 36.906 56.502 43.124 1.00 0.00 WT1 H ATOM 7680 H2 TIP3 1598 37.034 57.163 41.768 1.00 0.00 WT1 H ATOM 7681 OH2 TIP3 1599 40.839 43.716 -5.857 1.00 0.00 WT1 O ATOM 7682 H1 TIP3 1599 40.104 44.078 -6.351 1.00 0.00 WT1 H ATOM 7683 H2 TIP3 1599 41.325 44.483 -5.553 1.00 0.00 WT1 H ATOM 7684 OH2 TIP3 1600 56.436 62.485 46.528 1.00 0.00 WT1 O ATOM 7685 H1 TIP3 1600 57.111 61.889 46.853 1.00 0.00 WT1 H ATOM 7686 H2 TIP3 1600 55.878 61.937 45.977 1.00 0.00 WT1 H ATOM 7687 OH2 TIP3 1601 81.176 63.900 -7.249 1.00 0.00 WT1 O ATOM 7688 H1 TIP3 1601 81.498 63.901 -6.348 1.00 0.00 WT1 H ATOM 7689 H2 TIP3 1601 80.240 64.082 -7.170 1.00 0.00 WT1 H ATOM 7690 OH2 TIP3 1602 38.304 62.268 3.822 1.00 0.00 WT1 O ATOM 7691 H1 TIP3 1602 39.228 62.043 3.713 1.00 0.00 WT1 H ATOM 7692 H2 TIP3 1602 37.892 61.457 4.118 1.00 0.00 WT1 H ATOM 7693 OH2 TIP3 1603 31.026 65.933 64.529 1.00 0.00 WT1 O ATOM 7694 H1 TIP3 1603 31.804 65.699 65.035 1.00 0.00 WT1 H ATOM 7695 H2 TIP3 1603 31.200 65.598 63.650 1.00 0.00 WT1 H ATOM 7696 OH2 TIP3 1604 81.027 46.236 16.773 1.00 0.00 WT1 O ATOM 7697 H1 TIP3 1604 80.445 45.585 17.163 1.00 0.00 WT1 H ATOM 7698 H2 TIP3 1604 81.876 46.077 17.186 1.00 0.00 WT1 H ATOM 7699 OH2 TIP3 1605 69.679 52.106 37.919 1.00 0.00 WT1 O ATOM 7700 H1 TIP3 1605 69.000 51.665 37.408 1.00 0.00 WT1 H ATOM 7701 H2 TIP3 1605 69.198 52.592 38.589 1.00 0.00 WT1 H ATOM 7702 OH2 TIP3 1606 70.647 39.818 44.596 1.00 0.00 WT1 O ATOM 7703 H1 TIP3 1606 70.928 40.724 44.470 1.00 0.00 WT1 H ATOM 7704 H2 TIP3 1606 71.428 39.367 44.917 1.00 0.00 WT1 H ATOM 7705 OH2 TIP3 1607 87.301 34.049 -18.408 1.00 0.00 WT1 O ATOM 7706 H1 TIP3 1607 87.781 34.759 -18.834 1.00 0.00 WT1 H ATOM 7707 H2 TIP3 1607 86.537 33.907 -18.967 1.00 0.00 WT1 H ATOM 7708 OH2 TIP3 1608 56.976 85.270 54.956 1.00 0.00 WT1 O ATOM 7709 H1 TIP3 1608 57.025 86.225 54.912 1.00 0.00 WT1 H ATOM 7710 H2 TIP3 1608 56.605 85.010 54.113 1.00 0.00 WT1 H ATOM 7711 OH2 TIP3 1609 34.825 55.745 6.946 1.00 0.00 WT1 O ATOM 7712 H1 TIP3 1609 35.726 55.876 6.651 1.00 0.00 WT1 H ATOM 7713 H2 TIP3 1609 34.347 56.497 6.597 1.00 0.00 WT1 H ATOM 7714 OH2 TIP3 1611 83.696 42.132 -0.950 1.00 0.00 WT1 O ATOM 7715 H1 TIP3 1611 83.071 42.829 -1.150 1.00 0.00 WT1 H ATOM 7716 H2 TIP3 1611 83.723 42.101 0.006 1.00 0.00 WT1 H ATOM 7717 OH2 TIP3 1612 78.010 76.532 15.415 1.00 0.00 WT1 O ATOM 7718 H1 TIP3 1612 78.355 77.144 16.065 1.00 0.00 WT1 H ATOM 7719 H2 TIP3 1612 77.073 76.722 15.380 1.00 0.00 WT1 H ATOM 7720 OH2 TIP3 1613 76.602 35.114 33.400 1.00 0.00 WT1 O ATOM 7721 H1 TIP3 1613 76.727 35.945 33.858 1.00 0.00 WT1 H ATOM 7722 H2 TIP3 1613 77.344 34.575 33.674 1.00 0.00 WT1 H ATOM 7723 OH2 TIP3 1614 23.718 42.842 61.672 1.00 0.00 WT1 O ATOM 7724 H1 TIP3 1614 23.847 43.788 61.745 1.00 0.00 WT1 H ATOM 7725 H2 TIP3 1614 24.494 42.529 61.207 1.00 0.00 WT1 H ATOM 7726 OH2 TIP3 1615 46.941 46.893 36.737 1.00 0.00 WT1 O ATOM 7727 H1 TIP3 1615 47.194 46.392 35.962 1.00 0.00 WT1 H ATOM 7728 H2 TIP3 1615 47.769 47.203 37.103 1.00 0.00 WT1 H ATOM 7729 OH2 TIP3 1616 43.782 89.395 52.583 1.00 0.00 WT1 O ATOM 7730 H1 TIP3 1616 44.090 88.801 53.268 1.00 0.00 WT1 H ATOM 7731 H2 TIP3 1616 42.894 89.095 52.387 1.00 0.00 WT1 H ATOM 7732 OH2 TIP3 1617 62.000 58.176 0.144 1.00 0.00 WT1 O ATOM 7733 H1 TIP3 1617 61.486 58.683 -0.483 1.00 0.00 WT1 H ATOM 7734 H2 TIP3 1617 62.579 58.818 0.556 1.00 0.00 WT1 H ATOM 7735 OH2 TIP3 1618 46.575 45.165 47.550 1.00 0.00 WT1 O ATOM 7736 H1 TIP3 1618 47.082 44.773 46.838 1.00 0.00 WT1 H ATOM 7737 H2 TIP3 1618 46.405 46.061 47.258 1.00 0.00 WT1 H ATOM 7738 OH2 TIP3 1619 22.475 92.675 0.401 1.00 0.00 WT1 O ATOM 7739 H1 TIP3 1619 22.138 92.897 1.269 1.00 0.00 WT1 H ATOM 7740 H2 TIP3 1619 23.040 91.917 0.549 1.00 0.00 WT1 H ATOM 7741 OH2 TIP3 1620 50.023 95.802 -16.158 1.00 0.00 WT1 O ATOM 7742 H1 TIP3 1620 49.530 96.600 -15.964 1.00 0.00 WT1 H ATOM 7743 H2 TIP3 1620 49.352 95.150 -16.359 1.00 0.00 WT1 H ATOM 7744 OH2 TIP3 1621 80.014 22.148 45.285 1.00 0.00 WT1 O ATOM 7745 H1 TIP3 1621 79.283 22.726 45.504 1.00 0.00 WT1 H ATOM 7746 H2 TIP3 1621 80.618 22.236 46.022 1.00 0.00 WT1 H ATOM 7747 OH2 TIP3 1622 68.197 35.474 63.612 1.00 0.00 WT1 O ATOM 7748 H1 TIP3 1622 67.403 35.355 63.092 1.00 0.00 WT1 H ATOM 7749 H2 TIP3 1622 67.908 35.372 64.519 1.00 0.00 WT1 H ATOM 7750 OH2 TIP3 1623 90.642 60.693 65.593 1.00 0.00 WT1 O ATOM 7751 H1 TIP3 1623 90.077 61.442 65.404 1.00 0.00 WT1 H ATOM 7752 H2 TIP3 1623 90.451 60.472 66.505 1.00 0.00 WT1 H ATOM 7753 OH2 TIP3 1624 32.586 11.390 2.465 1.00 0.00 WT1 O ATOM 7754 H1 TIP3 1624 32.106 11.935 3.089 1.00 0.00 WT1 H ATOM 7755 H2 TIP3 1624 32.115 10.557 2.463 1.00 0.00 WT1 H ATOM 7756 OH2 TIP3 1625 64.614 84.235 65.296 1.00 0.00 WT1 O ATOM 7757 H1 TIP3 1625 64.762 83.291 65.359 1.00 0.00 WT1 H ATOM 7758 H2 TIP3 1625 63.680 84.319 65.106 1.00 0.00 WT1 H ATOM 7759 OH2 TIP3 1626 56.978 10.812 25.734 1.00 0.00 WT1 O ATOM 7760 H1 TIP3 1626 57.481 11.097 26.497 1.00 0.00 WT1 H ATOM 7761 H2 TIP3 1626 56.065 10.968 25.977 1.00 0.00 WT1 H ATOM 7762 OH2 TIP3 1627 34.600 0.664 -16.920 1.00 0.00 WT1 O ATOM 7763 H1 TIP3 1627 33.795 0.307 -16.546 1.00 0.00 WT1 H ATOM 7764 H2 TIP3 1627 35.193 0.751 -16.173 1.00 0.00 WT1 H ATOM 7765 OH2 TIP3 1628 85.196 52.625 -10.493 1.00 0.00 WT1 O ATOM 7766 H1 TIP3 1628 84.458 53.154 -10.797 1.00 0.00 WT1 H ATOM 7767 H2 TIP3 1628 85.049 51.763 -10.882 1.00 0.00 WT1 H ATOM 7768 OH2 TIP3 1629 79.192 81.555 53.552 1.00 0.00 WT1 O ATOM 7769 H1 TIP3 1629 78.482 81.448 54.185 1.00 0.00 WT1 H ATOM 7770 H2 TIP3 1629 78.860 82.198 52.925 1.00 0.00 WT1 H ATOM 7771 OH2 TIP3 1630 74.504 70.145 46.960 1.00 0.00 WT1 O ATOM 7772 H1 TIP3 1630 74.760 69.766 46.120 1.00 0.00 WT1 H ATOM 7773 H2 TIP3 1630 74.028 69.443 47.405 1.00 0.00 WT1 H ATOM 7774 OH2 TIP3 1632 27.954 61.398 8.185 1.00 0.00 WT1 O ATOM 7775 H1 TIP3 1632 28.842 61.118 7.964 1.00 0.00 WT1 H ATOM 7776 H2 TIP3 1632 28.062 61.956 8.955 1.00 0.00 WT1 H ATOM 7777 OH2 TIP3 1633 73.873 90.218 45.855 1.00 0.00 WT1 O ATOM 7778 H1 TIP3 1633 73.491 89.999 45.005 1.00 0.00 WT1 H ATOM 7779 H2 TIP3 1633 74.047 91.158 45.806 1.00 0.00 WT1 H ATOM 7780 OH2 TIP3 1634 55.734 26.824 37.295 1.00 0.00 WT1 O ATOM 7781 H1 TIP3 1634 55.760 27.343 36.490 1.00 0.00 WT1 H ATOM 7782 H2 TIP3 1634 55.857 27.464 37.996 1.00 0.00 WT1 H ATOM 7783 OH2 TIP3 1635 41.001 41.319 19.864 1.00 0.00 WT1 O ATOM 7784 H1 TIP3 1635 41.174 42.234 20.085 1.00 0.00 WT1 H ATOM 7785 H2 TIP3 1635 40.398 41.018 20.544 1.00 0.00 WT1 H ATOM 7786 OH2 TIP3 1636 43.201 96.819 2.441 1.00 0.00 WT1 O ATOM 7787 H1 TIP3 1636 43.529 96.466 3.268 1.00 0.00 WT1 H ATOM 7788 H2 TIP3 1636 43.520 96.210 1.776 1.00 0.00 WT1 H ATOM 7789 OH2 TIP3 1637 30.437 45.463 41.280 1.00 0.00 WT1 O ATOM 7790 H1 TIP3 1637 30.135 46.348 41.488 1.00 0.00 WT1 H ATOM 7791 H2 TIP3 1637 29.677 44.905 41.445 1.00 0.00 WT1 H ATOM 7792 OH2 TIP3 1638 90.194 22.721 13.437 1.00 0.00 WT1 O ATOM 7793 H1 TIP3 1638 90.731 22.094 13.923 1.00 0.00 WT1 H ATOM 7794 H2 TIP3 1638 89.324 22.323 13.412 1.00 0.00 WT1 H ATOM 7795 OH2 TIP3 1639 54.521 7.833 25.548 1.00 0.00 WT1 O ATOM 7796 H1 TIP3 1639 53.972 7.357 26.170 1.00 0.00 WT1 H ATOM 7797 H2 TIP3 1639 54.777 8.629 26.013 1.00 0.00 WT1 H ATOM 7798 OH2 TIP3 1640 85.633 13.260 -5.379 1.00 0.00 WT1 O ATOM 7799 H1 TIP3 1640 85.854 13.210 -4.449 1.00 0.00 WT1 H ATOM 7800 H2 TIP3 1640 85.596 14.197 -5.568 1.00 0.00 WT1 H ATOM 7801 OH2 TIP3 1641 29.042 3.965 -19.716 1.00 0.00 WT1 O ATOM 7802 H1 TIP3 1641 28.649 4.780 -20.028 1.00 0.00 WT1 H ATOM 7803 H2 TIP3 1641 29.909 4.220 -19.401 1.00 0.00 WT1 H ATOM 7804 OH2 TIP3 1642 34.119 46.150 19.193 1.00 0.00 WT1 O ATOM 7805 H1 TIP3 1642 34.841 46.719 18.925 1.00 0.00 WT1 H ATOM 7806 H2 TIP3 1642 34.425 45.739 20.001 1.00 0.00 WT1 H ATOM 7807 OH2 TIP3 1643 75.150 43.152 59.192 1.00 0.00 WT1 O ATOM 7808 H1 TIP3 1643 75.136 42.504 58.488 1.00 0.00 WT1 H ATOM 7809 H2 TIP3 1643 74.706 43.916 58.824 1.00 0.00 WT1 H ATOM 7810 OH2 TIP3 1645 89.873 1.987 1.425 1.00 0.00 WT1 O ATOM 7811 H1 TIP3 1645 90.657 2.532 1.487 1.00 0.00 WT1 H ATOM 7812 H2 TIP3 1645 90.202 1.089 1.459 1.00 0.00 WT1 H ATOM 7813 OH2 TIP3 1646 54.262 20.478 -6.300 1.00 0.00 WT1 O ATOM 7814 H1 TIP3 1646 53.383 20.130 -6.447 1.00 0.00 WT1 H ATOM 7815 H2 TIP3 1646 54.831 19.709 -6.314 1.00 0.00 WT1 H ATOM 7816 OH2 TIP3 1647 49.629 68.964 63.634 1.00 0.00 WT1 O ATOM 7817 H1 TIP3 1647 50.183 68.370 63.127 1.00 0.00 WT1 H ATOM 7818 H2 TIP3 1647 48.807 69.002 63.144 1.00 0.00 WT1 H ATOM 7819 OH2 TIP3 1648 40.186 91.391 12.726 1.00 0.00 WT1 O ATOM 7820 H1 TIP3 1648 39.635 91.474 11.947 1.00 0.00 WT1 H ATOM 7821 H2 TIP3 1648 40.007 90.510 13.054 1.00 0.00 WT1 H ATOM 7822 OH2 TIP3 1649 42.738 42.222 4.120 1.00 0.00 WT1 O ATOM 7823 H1 TIP3 1649 42.879 43.165 4.202 1.00 0.00 WT1 H ATOM 7824 H2 TIP3 1649 43.254 41.840 4.830 1.00 0.00 WT1 H ATOM 7825 OH2 TIP3 1651 61.866 83.966 64.687 1.00 0.00 WT1 O ATOM 7826 H1 TIP3 1651 61.031 83.502 64.619 1.00 0.00 WT1 H ATOM 7827 H2 TIP3 1651 61.638 84.888 64.566 1.00 0.00 WT1 H ATOM 7828 OH2 TIP3 1652 80.967 88.062 58.986 1.00 0.00 WT1 O ATOM 7829 H1 TIP3 1652 80.175 87.689 58.599 1.00 0.00 WT1 H ATOM 7830 H2 TIP3 1652 81.685 87.583 58.573 1.00 0.00 WT1 H ATOM 7831 OH2 TIP3 1653 36.705 72.003 54.487 1.00 0.00 WT1 O ATOM 7832 H1 TIP3 1653 36.549 72.451 55.318 1.00 0.00 WT1 H ATOM 7833 H2 TIP3 1653 35.857 71.622 54.257 1.00 0.00 WT1 H ATOM 7834 OH2 TIP3 1655 29.401 63.059 41.611 1.00 0.00 WT1 O ATOM 7835 H1 TIP3 1655 29.459 63.467 42.475 1.00 0.00 WT1 H ATOM 7836 H2 TIP3 1655 29.898 62.246 41.695 1.00 0.00 WT1 H ATOM 7837 OH2 TIP3 1656 65.830 35.838 43.183 1.00 0.00 WT1 O ATOM 7838 H1 TIP3 1656 66.343 36.577 42.854 1.00 0.00 WT1 H ATOM 7839 H2 TIP3 1656 65.059 35.809 42.616 1.00 0.00 WT1 H ATOM 7840 OH2 TIP3 1657 57.215 95.596 33.196 1.00 0.00 WT1 O ATOM 7841 H1 TIP3 1657 56.392 95.481 32.721 1.00 0.00 WT1 H ATOM 7842 H2 TIP3 1657 57.311 94.792 33.707 1.00 0.00 WT1 H ATOM 7843 OH2 TIP3 1658 67.768 13.864 41.845 1.00 0.00 WT1 O ATOM 7844 H1 TIP3 1658 67.295 14.178 42.616 1.00 0.00 WT1 H ATOM 7845 H2 TIP3 1658 68.514 13.382 42.201 1.00 0.00 WT1 H ATOM 7846 OH2 TIP3 1659 42.658 53.618 63.769 1.00 0.00 WT1 O ATOM 7847 H1 TIP3 1659 42.203 54.397 64.089 1.00 0.00 WT1 H ATOM 7848 H2 TIP3 1659 43.129 53.285 64.533 1.00 0.00 WT1 H ATOM 7849 OH2 TIP3 1660 58.959 58.348 17.092 1.00 0.00 WT1 O ATOM 7850 H1 TIP3 1660 58.439 58.174 16.308 1.00 0.00 WT1 H ATOM 7851 H2 TIP3 1660 58.523 59.092 17.509 1.00 0.00 WT1 H ATOM 7852 OH2 TIP3 1661 83.892 32.806 29.081 1.00 0.00 WT1 O ATOM 7853 H1 TIP3 1661 84.211 32.223 28.393 1.00 0.00 WT1 H ATOM 7854 H2 TIP3 1661 82.939 32.780 28.994 1.00 0.00 WT1 H ATOM 7855 OH2 TIP3 1663 45.196 55.951 66.095 1.00 0.00 WT1 O ATOM 7856 H1 TIP3 1663 45.278 56.900 66.191 1.00 0.00 WT1 H ATOM 7857 H2 TIP3 1663 45.927 55.595 66.601 1.00 0.00 WT1 H ATOM 7858 OH2 TIP3 1664 90.225 30.049 -19.460 1.00 0.00 WT1 O ATOM 7859 H1 TIP3 1664 89.481 29.549 -19.794 1.00 0.00 WT1 H ATOM 7860 H2 TIP3 1664 90.070 30.944 -19.763 1.00 0.00 WT1 H ATOM 7861 OH2 TIP3 1665 57.056 70.144 22.457 1.00 0.00 WT1 O ATOM 7862 H1 TIP3 1665 57.201 69.351 21.940 1.00 0.00 WT1 H ATOM 7863 H2 TIP3 1665 57.936 70.437 22.696 1.00 0.00 WT1 H ATOM 7864 OH2 TIP3 1666 31.364 39.862 8.613 1.00 0.00 WT1 O ATOM 7865 H1 TIP3 1666 31.098 40.360 7.840 1.00 0.00 WT1 H ATOM 7866 H2 TIP3 1666 32.184 39.440 8.355 1.00 0.00 WT1 H ATOM 7867 OH2 TIP3 1667 27.160 87.424 24.540 1.00 0.00 WT1 O ATOM 7868 H1 TIP3 1667 27.957 87.051 24.916 1.00 0.00 WT1 H ATOM 7869 H2 TIP3 1667 26.732 87.865 25.274 1.00 0.00 WT1 H ATOM 7870 OH2 TIP3 1668 66.064 44.632 49.747 1.00 0.00 WT1 O ATOM 7871 H1 TIP3 1668 65.825 45.554 49.842 1.00 0.00 WT1 H ATOM 7872 H2 TIP3 1668 65.736 44.216 50.544 1.00 0.00 WT1 H ATOM 7873 OH2 TIP3 1669 82.625 82.583 -7.031 1.00 0.00 WT1 O ATOM 7874 H1 TIP3 1669 82.741 83.503 -7.266 1.00 0.00 WT1 H ATOM 7875 H2 TIP3 1669 83.272 82.116 -7.561 1.00 0.00 WT1 H ATOM 7876 OH2 TIP3 1670 39.230 93.006 61.483 1.00 0.00 WT1 O ATOM 7877 H1 TIP3 1670 38.444 92.480 61.633 1.00 0.00 WT1 H ATOM 7878 H2 TIP3 1670 38.988 93.603 60.776 1.00 0.00 WT1 H ATOM 7879 OH2 TIP3 1671 29.488 77.745 15.220 1.00 0.00 WT1 O ATOM 7880 H1 TIP3 1671 30.259 77.235 15.464 1.00 0.00 WT1 H ATOM 7881 H2 TIP3 1671 29.827 78.622 15.040 1.00 0.00 WT1 H ATOM 7882 OH2 TIP3 1672 70.391 43.192 -6.641 1.00 0.00 WT1 O ATOM 7883 H1 TIP3 1672 69.632 43.754 -6.799 1.00 0.00 WT1 H ATOM 7884 H2 TIP3 1672 70.039 42.446 -6.155 1.00 0.00 WT1 H ATOM 7885 OH2 TIP3 1673 89.057 59.324 53.304 1.00 0.00 WT1 O ATOM 7886 H1 TIP3 1673 88.439 58.692 53.673 1.00 0.00 WT1 H ATOM 7887 H2 TIP3 1673 89.156 59.988 53.986 1.00 0.00 WT1 H ATOM 7888 OH2 TIP3 1675 62.805 30.783 39.328 1.00 0.00 WT1 O ATOM 7889 H1 TIP3 1675 62.017 31.121 38.902 1.00 0.00 WT1 H ATOM 7890 H2 TIP3 1675 62.476 30.214 40.024 1.00 0.00 WT1 H ATOM 7891 OH2 TIP3 1676 86.341 79.795 19.006 1.00 0.00 WT1 O ATOM 7892 H1 TIP3 1676 87.120 79.830 18.450 1.00 0.00 WT1 H ATOM 7893 H2 TIP3 1676 86.072 78.877 18.985 1.00 0.00 WT1 H ATOM 7894 OH2 TIP3 1677 54.693 90.869 19.329 1.00 0.00 WT1 O ATOM 7895 H1 TIP3 1677 54.739 91.773 19.642 1.00 0.00 WT1 H ATOM 7896 H2 TIP3 1677 53.776 90.620 19.446 1.00 0.00 WT1 H ATOM 7897 OH2 TIP3 1678 82.681 78.691 10.091 1.00 0.00 WT1 O ATOM 7898 H1 TIP3 1678 82.860 78.430 10.994 1.00 0.00 WT1 H ATOM 7899 H2 TIP3 1678 82.992 77.957 9.562 1.00 0.00 WT1 H ATOM 7900 OH2 TIP3 1679 82.578 39.403 -11.878 1.00 0.00 WT1 O ATOM 7901 H1 TIP3 1679 82.084 38.756 -11.375 1.00 0.00 WT1 H ATOM 7902 H2 TIP3 1679 82.296 40.247 -11.526 1.00 0.00 WT1 H ATOM 7903 OH2 TIP3 1680 35.416 64.957 55.791 1.00 0.00 WT1 O ATOM 7904 H1 TIP3 1680 35.079 64.086 56.001 1.00 0.00 WT1 H ATOM 7905 H2 TIP3 1680 34.633 65.483 55.624 1.00 0.00 WT1 H ATOM 7906 OH2 TIP3 1681 52.281 83.071 41.080 1.00 0.00 WT1 O ATOM 7907 H1 TIP3 1681 52.485 83.476 40.237 1.00 0.00 WT1 H ATOM 7908 H2 TIP3 1681 51.327 82.988 41.082 1.00 0.00 WT1 H ATOM 7909 OH2 TIP3 1682 36.923 14.223 23.411 1.00 0.00 WT1 O ATOM 7910 H1 TIP3 1682 37.684 13.811 23.002 1.00 0.00 WT1 H ATOM 7911 H2 TIP3 1682 36.712 14.959 22.837 1.00 0.00 WT1 H ATOM 7912 OH2 TIP3 1683 42.997 12.469 7.116 1.00 0.00 WT1 O ATOM 7913 H1 TIP3 1683 43.098 13.382 7.383 1.00 0.00 WT1 H ATOM 7914 H2 TIP3 1683 42.052 12.348 7.025 1.00 0.00 WT1 H ATOM 7915 OH2 TIP3 1684 65.990 58.706 1.238 1.00 0.00 WT1 O ATOM 7916 H1 TIP3 1684 66.791 59.002 1.669 1.00 0.00 WT1 H ATOM 7917 H2 TIP3 1684 65.629 58.045 1.829 1.00 0.00 WT1 H ATOM 7918 OH2 TIP3 1685 75.750 67.456 -5.240 1.00 0.00 WT1 O ATOM 7919 H1 TIP3 1685 74.918 67.155 -5.604 1.00 0.00 WT1 H ATOM 7920 H2 TIP3 1685 75.503 68.104 -4.580 1.00 0.00 WT1 H ATOM 7921 OH2 TIP3 1686 51.725 65.234 -9.341 1.00 0.00 WT1 O ATOM 7922 H1 TIP3 1686 52.563 65.340 -8.890 1.00 0.00 WT1 H ATOM 7923 H2 TIP3 1686 51.252 64.587 -8.818 1.00 0.00 WT1 H ATOM 7924 OH2 TIP3 1687 86.484 58.099 -11.302 1.00 0.00 WT1 O ATOM 7925 H1 TIP3 1687 86.913 57.875 -12.128 1.00 0.00 WT1 H ATOM 7926 H2 TIP3 1687 86.077 57.282 -11.014 1.00 0.00 WT1 H ATOM 7927 OH2 TIP3 1688 35.711 72.543 35.264 1.00 0.00 WT1 O ATOM 7928 H1 TIP3 1688 36.498 72.788 34.778 1.00 0.00 WT1 H ATOM 7929 H2 TIP3 1688 36.020 72.376 36.154 1.00 0.00 WT1 H ATOM 7930 OH2 TIP3 1689 77.522 50.129 6.367 1.00 0.00 WT1 O ATOM 7931 H1 TIP3 1689 77.424 50.702 7.127 1.00 0.00 WT1 H ATOM 7932 H2 TIP3 1689 78.410 49.780 6.442 1.00 0.00 WT1 H ATOM 7933 OH2 TIP3 1690 38.632 25.840 23.503 1.00 0.00 WT1 O ATOM 7934 H1 TIP3 1690 37.918 26.366 23.144 1.00 0.00 WT1 H ATOM 7935 H2 TIP3 1690 38.282 24.950 23.536 1.00 0.00 WT1 H ATOM 7936 OH2 TIP3 1691 21.150 67.232 0.354 1.00 0.00 WT1 O ATOM 7937 H1 TIP3 1691 20.349 66.907 0.766 1.00 0.00 WT1 H ATOM 7938 H2 TIP3 1691 21.656 66.444 0.158 1.00 0.00 WT1 H ATOM 7939 OH2 TIP3 1692 66.456 58.214 66.980 1.00 0.00 WT1 O ATOM 7940 H1 TIP3 1692 66.141 58.830 66.318 1.00 0.00 WT1 H ATOM 7941 H2 TIP3 1692 65.682 57.703 67.219 1.00 0.00 WT1 H ATOM 7942 OH2 TIP3 1693 56.638 49.099 -0.052 1.00 0.00 WT1 O ATOM 7943 H1 TIP3 1693 56.616 48.677 0.807 1.00 0.00 WT1 H ATOM 7944 H2 TIP3 1693 56.023 49.828 0.024 1.00 0.00 WT1 H ATOM 7945 OH2 TIP3 1694 45.247 5.673 6.166 1.00 0.00 WT1 O ATOM 7946 H1 TIP3 1694 45.413 5.746 5.226 1.00 0.00 WT1 H ATOM 7947 H2 TIP3 1694 45.328 6.569 6.495 1.00 0.00 WT1 H ATOM 7948 OH2 TIP3 1696 86.413 44.295 34.675 1.00 0.00 WT1 O ATOM 7949 H1 TIP3 1696 86.337 45.033 35.279 1.00 0.00 WT1 H ATOM 7950 H2 TIP3 1696 86.861 43.616 35.180 1.00 0.00 WT1 H ATOM 7951 OH2 TIP3 1697 52.785 37.880 51.957 1.00 0.00 WT1 O ATOM 7952 H1 TIP3 1697 52.401 37.015 51.813 1.00 0.00 WT1 H ATOM 7953 H2 TIP3 1697 52.764 37.996 52.907 1.00 0.00 WT1 H ATOM 7954 OH2 TIP3 1698 80.732 58.692 -0.107 1.00 0.00 WT1 O ATOM 7955 H1 TIP3 1698 81.352 58.135 0.365 1.00 0.00 WT1 H ATOM 7956 H2 TIP3 1698 79.970 58.744 0.469 1.00 0.00 WT1 H ATOM 7957 OH2 TIP3 1700 59.659 36.079 -17.085 1.00 0.00 WT1 O ATOM 7958 H1 TIP3 1700 59.743 36.621 -16.301 1.00 0.00 WT1 H ATOM 7959 H2 TIP3 1700 58.716 36.029 -17.242 1.00 0.00 WT1 H ATOM 7960 OH2 TIP3 1701 64.906 31.398 11.550 1.00 0.00 WT1 O ATOM 7961 H1 TIP3 1701 65.471 31.202 10.803 1.00 0.00 WT1 H ATOM 7962 H2 TIP3 1701 64.113 31.767 11.161 1.00 0.00 WT1 H ATOM 7963 OH2 TIP3 1702 24.374 15.881 45.136 1.00 0.00 WT1 O ATOM 7964 H1 TIP3 1702 25.108 16.162 45.682 1.00 0.00 WT1 H ATOM 7965 H2 TIP3 1702 24.515 14.943 45.008 1.00 0.00 WT1 H ATOM 7966 OH2 TIP3 1703 88.641 66.894 44.693 1.00 0.00 WT1 O ATOM 7967 H1 TIP3 1703 88.218 66.045 44.819 1.00 0.00 WT1 H ATOM 7968 H2 TIP3 1703 89.433 66.848 45.229 1.00 0.00 WT1 H ATOM 7969 OH2 TIP3 1704 26.457 50.720 65.679 1.00 0.00 WT1 O ATOM 7970 H1 TIP3 1704 27.210 51.212 66.007 1.00 0.00 WT1 H ATOM 7971 H2 TIP3 1704 25.813 51.391 65.451 1.00 0.00 WT1 H ATOM 7972 OH2 TIP3 1706 60.851 45.702 57.893 1.00 0.00 WT1 O ATOM 7973 H1 TIP3 1706 60.592 46.584 58.161 1.00 0.00 WT1 H ATOM 7974 H2 TIP3 1706 61.295 45.339 58.659 1.00 0.00 WT1 H ATOM 7975 OH2 TIP3 1707 81.336 82.473 12.451 1.00 0.00 WT1 O ATOM 7976 H1 TIP3 1707 81.606 81.900 13.169 1.00 0.00 WT1 H ATOM 7977 H2 TIP3 1707 81.137 81.877 11.729 1.00 0.00 WT1 H ATOM 7978 OH2 TIP3 1708 48.840 61.039 4.877 1.00 0.00 WT1 O ATOM 7979 H1 TIP3 1708 48.880 61.896 5.301 1.00 0.00 WT1 H ATOM 7980 H2 TIP3 1708 49.459 60.499 5.369 1.00 0.00 WT1 H ATOM 7981 OH2 TIP3 1710 23.944 55.209 39.137 1.00 0.00 WT1 O ATOM 7982 H1 TIP3 1710 24.544 54.498 39.361 1.00 0.00 WT1 H ATOM 7983 H2 TIP3 1710 24.495 55.862 38.705 1.00 0.00 WT1 H ATOM 7984 OH2 TIP3 1711 27.918 46.452 45.400 1.00 0.00 WT1 O ATOM 7985 H1 TIP3 1711 27.177 46.063 44.936 1.00 0.00 WT1 H ATOM 7986 H2 TIP3 1711 27.584 47.289 45.724 1.00 0.00 WT1 H ATOM 7987 OH2 TIP3 1713 85.597 44.649 61.805 1.00 0.00 WT1 O ATOM 7988 H1 TIP3 1713 85.440 45.288 62.501 1.00 0.00 WT1 H ATOM 7989 H2 TIP3 1713 85.983 43.897 62.253 1.00 0.00 WT1 H ATOM 7990 OH2 TIP3 1714 67.751 9.797 63.569 1.00 0.00 WT1 O ATOM 7991 H1 TIP3 1714 67.024 9.726 64.189 1.00 0.00 WT1 H ATOM 7992 H2 TIP3 1714 68.140 8.922 63.556 1.00 0.00 WT1 H ATOM 7993 OH2 TIP3 1715 45.731 69.786 -4.584 1.00 0.00 WT1 O ATOM 7994 H1 TIP3 1715 45.687 70.203 -3.724 1.00 0.00 WT1 H ATOM 7995 H2 TIP3 1715 46.666 69.637 -4.730 1.00 0.00 WT1 H ATOM 7996 OH2 TIP3 1716 33.172 5.286 16.749 1.00 0.00 WT1 O ATOM 7997 H1 TIP3 1716 33.624 4.445 16.814 1.00 0.00 WT1 H ATOM 7998 H2 TIP3 1716 33.182 5.633 17.641 1.00 0.00 WT1 H ATOM 7999 OH2 TIP3 1717 89.803 55.202 46.234 1.00 0.00 WT1 O ATOM 8000 H1 TIP3 1717 90.163 54.609 46.893 1.00 0.00 WT1 H ATOM 8001 H2 TIP3 1717 90.310 56.008 46.333 1.00 0.00 WT1 H ATOM 8002 OH2 TIP3 1718 27.889 7.308 59.299 1.00 0.00 WT1 O ATOM 8003 H1 TIP3 1718 28.609 6.698 59.453 1.00 0.00 WT1 H ATOM 8004 H2 TIP3 1718 28.205 8.144 59.641 1.00 0.00 WT1 H ATOM 8005 OH2 TIP3 1719 42.403 53.832 38.025 1.00 0.00 WT1 O ATOM 8006 H1 TIP3 1719 42.189 54.743 37.826 1.00 0.00 WT1 H ATOM 8007 H2 TIP3 1719 41.682 53.530 38.578 1.00 0.00 WT1 H ATOM 8008 OH2 TIP3 1720 60.805 46.647 48.618 1.00 0.00 WT1 O ATOM 8009 H1 TIP3 1720 60.073 46.033 48.571 1.00 0.00 WT1 H ATOM 8010 H2 TIP3 1720 60.536 47.292 49.273 1.00 0.00 WT1 H ATOM 8011 OH2 TIP3 1721 87.920 81.804 -0.112 1.00 0.00 WT1 O ATOM 8012 H1 TIP3 1721 87.499 81.784 0.747 1.00 0.00 WT1 H ATOM 8013 H2 TIP3 1721 88.068 80.884 -0.329 1.00 0.00 WT1 H ATOM 8014 OH2 TIP3 1722 78.606 69.282 51.828 1.00 0.00 WT1 O ATOM 8015 H1 TIP3 1722 77.680 69.462 51.667 1.00 0.00 WT1 H ATOM 8016 H2 TIP3 1722 79.039 69.492 51.001 1.00 0.00 WT1 H ATOM 8017 OH2 TIP3 1723 37.116 88.613 57.418 1.00 0.00 WT1 O ATOM 8018 H1 TIP3 1723 37.072 89.550 57.608 1.00 0.00 WT1 H ATOM 8019 H2 TIP3 1723 37.350 88.567 56.491 1.00 0.00 WT1 H ATOM 8020 OH2 TIP3 1724 35.181 0.948 32.188 1.00 0.00 WT1 O ATOM 8021 H1 TIP3 1724 34.286 0.851 31.863 1.00 0.00 WT1 H ATOM 8022 H2 TIP3 1724 35.726 0.548 31.511 1.00 0.00 WT1 H ATOM 8023 OH2 TIP3 1725 71.426 5.652 55.967 1.00 0.00 WT1 O ATOM 8024 H1 TIP3 1725 71.294 5.295 56.845 1.00 0.00 WT1 H ATOM 8025 H2 TIP3 1725 72.302 5.358 55.717 1.00 0.00 WT1 H ATOM 8026 OH2 TIP3 1726 34.392 57.883 5.207 1.00 0.00 WT1 O ATOM 8027 H1 TIP3 1726 35.036 57.428 4.663 1.00 0.00 WT1 H ATOM 8028 H2 TIP3 1726 34.167 58.668 4.707 1.00 0.00 WT1 H ATOM 8029 OH2 TIP3 1727 66.685 91.815 49.775 1.00 0.00 WT1 O ATOM 8030 H1 TIP3 1727 67.212 92.579 49.541 1.00 0.00 WT1 H ATOM 8031 H2 TIP3 1727 67.158 91.411 50.503 1.00 0.00 WT1 H ATOM 8032 OH2 TIP3 1728 69.332 88.151 39.475 1.00 0.00 WT1 O ATOM 8033 H1 TIP3 1728 70.024 87.548 39.204 1.00 0.00 WT1 H ATOM 8034 H2 TIP3 1728 68.554 87.850 39.005 1.00 0.00 WT1 H ATOM 8035 OH2 TIP3 1729 40.633 27.320 -17.906 1.00 0.00 WT1 O ATOM 8036 H1 TIP3 1729 41.307 26.801 -17.467 1.00 0.00 WT1 H ATOM 8037 H2 TIP3 1729 40.223 26.711 -18.520 1.00 0.00 WT1 H ATOM 8038 OH2 TIP3 1730 48.945 51.081 1.922 1.00 0.00 WT1 O ATOM 8039 H1 TIP3 1730 49.473 51.302 2.689 1.00 0.00 WT1 H ATOM 8040 H2 TIP3 1730 48.785 51.920 1.490 1.00 0.00 WT1 H ATOM 8041 OH2 TIP3 1731 60.054 83.123 7.057 1.00 0.00 WT1 O ATOM 8042 H1 TIP3 1731 59.527 82.443 7.476 1.00 0.00 WT1 H ATOM 8043 H2 TIP3 1731 60.028 82.906 6.125 1.00 0.00 WT1 H ATOM 8044 OH2 TIP3 1732 64.382 94.227 39.755 1.00 0.00 WT1 O ATOM 8045 H1 TIP3 1732 65.198 94.472 40.190 1.00 0.00 WT1 H ATOM 8046 H2 TIP3 1732 64.602 93.441 39.255 1.00 0.00 WT1 H ATOM 8047 OH2 TIP3 1733 35.110 4.934 40.165 1.00 0.00 WT1 O ATOM 8048 H1 TIP3 1733 36.040 5.149 40.242 1.00 0.00 WT1 H ATOM 8049 H2 TIP3 1733 34.720 5.259 40.976 1.00 0.00 WT1 H ATOM 8050 OH2 TIP3 1734 51.988 84.126 34.442 1.00 0.00 WT1 O ATOM 8051 H1 TIP3 1734 52.453 84.058 33.608 1.00 0.00 WT1 H ATOM 8052 H2 TIP3 1734 52.228 83.330 34.917 1.00 0.00 WT1 H ATOM 8053 OH2 TIP3 1735 79.067 26.587 -9.029 1.00 0.00 WT1 O ATOM 8054 H1 TIP3 1735 78.302 27.150 -8.910 1.00 0.00 WT1 H ATOM 8055 H2 TIP3 1735 78.702 25.727 -9.236 1.00 0.00 WT1 H ATOM 8056 OH2 TIP3 1736 88.402 87.077 44.936 1.00 0.00 WT1 O ATOM 8057 H1 TIP3 1736 87.647 87.658 45.030 1.00 0.00 WT1 H ATOM 8058 H2 TIP3 1736 89.157 87.664 44.926 1.00 0.00 WT1 H ATOM 8059 OH2 TIP3 1737 24.216 48.231 36.712 1.00 0.00 WT1 O ATOM 8060 H1 TIP3 1737 23.790 48.927 36.212 1.00 0.00 WT1 H ATOM 8061 H2 TIP3 1737 24.351 47.528 36.077 1.00 0.00 WT1 H ATOM 8062 OH2 TIP3 1738 70.793 42.367 53.932 1.00 0.00 WT1 O ATOM 8063 H1 TIP3 1738 70.009 41.838 54.081 1.00 0.00 WT1 H ATOM 8064 H2 TIP3 1738 70.489 43.272 54.012 1.00 0.00 WT1 H ATOM 8065 OH2 TIP3 1739 87.970 94.637 8.521 1.00 0.00 WT1 O ATOM 8066 H1 TIP3 1739 87.866 93.816 9.003 1.00 0.00 WT1 H ATOM 8067 H2 TIP3 1739 87.861 95.319 9.184 1.00 0.00 WT1 H ATOM 8068 OH2 TIP3 1741 66.298 15.909 11.901 1.00 0.00 WT1 O ATOM 8069 H1 TIP3 1741 65.376 15.897 12.157 1.00 0.00 WT1 H ATOM 8070 H2 TIP3 1741 66.700 16.555 12.481 1.00 0.00 WT1 H ATOM 8071 OH2 TIP3 1742 28.614 51.036 40.749 1.00 0.00 WT1 O ATOM 8072 H1 TIP3 1742 29.092 50.822 41.550 1.00 0.00 WT1 H ATOM 8073 H2 TIP3 1742 29.266 50.959 40.052 1.00 0.00 WT1 H ATOM 8074 OH2 TIP3 1743 41.521 42.795 32.358 1.00 0.00 WT1 O ATOM 8075 H1 TIP3 1743 42.122 42.673 31.623 1.00 0.00 WT1 H ATOM 8076 H2 TIP3 1743 41.444 43.745 32.450 1.00 0.00 WT1 H ATOM 8077 OH2 TIP3 1744 57.707 78.726 59.790 1.00 0.00 WT1 O ATOM 8078 H1 TIP3 1744 56.826 78.412 59.586 1.00 0.00 WT1 H ATOM 8079 H2 TIP3 1744 57.948 78.261 60.590 1.00 0.00 WT1 H ATOM 8080 OH2 TIP3 1745 84.264 38.319 58.495 1.00 0.00 WT1 O ATOM 8081 H1 TIP3 1745 84.550 38.952 59.154 1.00 0.00 WT1 H ATOM 8082 H2 TIP3 1745 85.015 38.229 57.908 1.00 0.00 WT1 H ATOM 8083 OH2 TIP3 1746 77.934 71.571 43.461 1.00 0.00 WT1 O ATOM 8084 H1 TIP3 1746 78.575 72.246 43.239 1.00 0.00 WT1 H ATOM 8085 H2 TIP3 1746 77.625 71.246 42.616 1.00 0.00 WT1 H ATOM 8086 OH2 TIP3 1747 90.243 56.379 63.259 1.00 0.00 WT1 O ATOM 8087 H1 TIP3 1747 89.815 55.711 63.795 1.00 0.00 WT1 H ATOM 8088 H2 TIP3 1747 90.964 55.918 62.831 1.00 0.00 WT1 H ATOM 8089 OH2 TIP3 1748 59.114 23.908 52.412 1.00 0.00 WT1 O ATOM 8090 H1 TIP3 1748 58.968 24.577 53.081 1.00 0.00 WT1 H ATOM 8091 H2 TIP3 1748 58.726 24.274 51.617 1.00 0.00 WT1 H ATOM 8092 OH2 TIP3 1749 72.260 3.308 -9.687 1.00 0.00 WT1 O ATOM 8093 H1 TIP3 1749 71.945 2.417 -9.537 1.00 0.00 WT1 H ATOM 8094 H2 TIP3 1749 73.210 3.248 -9.588 1.00 0.00 WT1 H ATOM 8095 OH2 TIP3 1750 81.033 40.519 32.131 1.00 0.00 WT1 O ATOM 8096 H1 TIP3 1750 81.934 40.580 32.448 1.00 0.00 WT1 H ATOM 8097 H2 TIP3 1750 80.711 39.689 32.482 1.00 0.00 WT1 H ATOM 8098 OH2 TIP3 1751 86.658 47.121 -16.978 1.00 0.00 WT1 O ATOM 8099 H1 TIP3 1751 86.066 46.677 -17.586 1.00 0.00 WT1 H ATOM 8100 H2 TIP3 1751 86.381 48.037 -16.998 1.00 0.00 WT1 H ATOM 8101 OH2 TIP3 1752 37.934 66.484 -8.963 1.00 0.00 WT1 O ATOM 8102 H1 TIP3 1752 38.355 65.666 -8.700 1.00 0.00 WT1 H ATOM 8103 H2 TIP3 1752 37.419 66.252 -9.735 1.00 0.00 WT1 H ATOM 8104 OH2 TIP3 1753 64.449 60.118 49.777 1.00 0.00 WT1 O ATOM 8105 H1 TIP3 1753 64.262 59.263 50.164 1.00 0.00 WT1 H ATOM 8106 H2 TIP3 1753 63.604 60.566 49.765 1.00 0.00 WT1 H ATOM 8107 OH2 TIP3 1754 65.636 89.505 11.077 1.00 0.00 WT1 O ATOM 8108 H1 TIP3 1754 65.557 88.671 10.612 1.00 0.00 WT1 H ATOM 8109 H2 TIP3 1754 66.477 89.448 11.530 1.00 0.00 WT1 H ATOM 8110 OH2 TIP3 1755 89.929 92.481 40.198 1.00 0.00 WT1 O ATOM 8111 H1 TIP3 1755 89.653 91.570 40.098 1.00 0.00 WT1 H ATOM 8112 H2 TIP3 1755 90.758 92.535 39.724 1.00 0.00 WT1 H ATOM 8113 OH2 TIP3 1756 67.211 83.182 -9.563 1.00 0.00 WT1 O ATOM 8114 H1 TIP3 1756 67.876 82.774 -10.117 1.00 0.00 WT1 H ATOM 8115 H2 TIP3 1756 67.265 84.114 -9.770 1.00 0.00 WT1 H ATOM 8116 OH2 TIP3 1757 82.752 42.534 -8.756 1.00 0.00 WT1 O ATOM 8117 H1 TIP3 1757 82.891 41.798 -8.161 1.00 0.00 WT1 H ATOM 8118 H2 TIP3 1757 82.018 43.016 -8.374 1.00 0.00 WT1 H ATOM 8119 OH2 TIP3 1758 85.921 28.036 -2.027 1.00 0.00 WT1 O ATOM 8120 H1 TIP3 1758 86.129 28.968 -1.953 1.00 0.00 WT1 H ATOM 8121 H2 TIP3 1758 85.985 27.850 -2.964 1.00 0.00 WT1 H ATOM 8122 OH2 TIP3 1759 82.379 76.206 38.809 1.00 0.00 WT1 O ATOM 8123 H1 TIP3 1759 82.560 75.307 38.536 1.00 0.00 WT1 H ATOM 8124 H2 TIP3 1759 82.915 76.331 39.592 1.00 0.00 WT1 H ATOM 8125 OH2 TIP3 1760 53.172 11.556 23.420 1.00 0.00 WT1 O ATOM 8126 H1 TIP3 1760 52.539 12.132 22.990 1.00 0.00 WT1 H ATOM 8127 H2 TIP3 1760 52.755 10.695 23.414 1.00 0.00 WT1 H ATOM 8128 OH2 TIP3 1761 74.490 28.925 60.209 1.00 0.00 WT1 O ATOM 8129 H1 TIP3 1761 74.823 28.396 59.484 1.00 0.00 WT1 H ATOM 8130 H2 TIP3 1761 74.983 29.744 60.154 1.00 0.00 WT1 H ATOM 8131 OH2 TIP3 1762 30.515 21.469 -0.445 1.00 0.00 WT1 O ATOM 8132 H1 TIP3 1762 31.276 21.895 -0.052 1.00 0.00 WT1 H ATOM 8133 H2 TIP3 1762 30.860 21.032 -1.224 1.00 0.00 WT1 H ATOM 8134 OH2 TIP3 1763 74.153 89.711 63.514 1.00 0.00 WT1 O ATOM 8135 H1 TIP3 1763 74.203 90.575 63.924 1.00 0.00 WT1 H ATOM 8136 H2 TIP3 1763 74.496 89.844 62.630 1.00 0.00 WT1 H ATOM 8137 OH2 TIP3 1764 31.841 19.024 2.780 1.00 0.00 WT1 O ATOM 8138 H1 TIP3 1764 31.662 19.933 2.539 1.00 0.00 WT1 H ATOM 8139 H2 TIP3 1764 32.528 19.082 3.443 1.00 0.00 WT1 H ATOM 8140 OH2 TIP3 1765 77.073 6.914 42.683 1.00 0.00 WT1 O ATOM 8141 H1 TIP3 1765 77.851 6.590 42.230 1.00 0.00 WT1 H ATOM 8142 H2 TIP3 1765 76.451 7.110 41.983 1.00 0.00 WT1 H ATOM 8143 OH2 TIP3 1766 69.921 7.401 13.698 1.00 0.00 WT1 O ATOM 8144 H1 TIP3 1766 69.736 7.668 14.598 1.00 0.00 WT1 H ATOM 8145 H2 TIP3 1766 70.748 6.921 13.755 1.00 0.00 WT1 H ATOM 8146 OH2 TIP3 1767 36.340 73.443 -18.883 1.00 0.00 WT1 O ATOM 8147 H1 TIP3 1767 37.279 73.630 -18.900 1.00 0.00 WT1 H ATOM 8148 H2 TIP3 1767 36.038 73.650 -19.767 1.00 0.00 WT1 H ATOM 8149 OH2 TIP3 1768 90.090 12.112 -12.917 1.00 0.00 WT1 O ATOM 8150 H1 TIP3 1768 90.606 12.870 -12.644 1.00 0.00 WT1 H ATOM 8151 H2 TIP3 1768 90.288 12.010 -13.848 1.00 0.00 WT1 H ATOM 8152 OH2 TIP3 1769 39.162 56.229 34.968 1.00 0.00 WT1 O ATOM 8153 H1 TIP3 1769 39.093 55.677 34.188 1.00 0.00 WT1 H ATOM 8154 H2 TIP3 1769 40.100 56.262 35.156 1.00 0.00 WT1 H ATOM 8155 OH2 TIP3 1770 85.097 58.421 -15.340 1.00 0.00 WT1 O ATOM 8156 H1 TIP3 1770 85.471 59.091 -15.912 1.00 0.00 WT1 H ATOM 8157 H2 TIP3 1770 85.814 58.180 -14.753 1.00 0.00 WT1 H ATOM 8158 OH2 TIP3 1771 41.320 95.497 35.552 1.00 0.00 WT1 O ATOM 8159 H1 TIP3 1771 40.532 96.041 35.553 1.00 0.00 WT1 H ATOM 8160 H2 TIP3 1771 41.271 95.003 36.370 1.00 0.00 WT1 H ATOM 8161 OH2 TIP3 1772 55.173 78.547 44.757 1.00 0.00 WT1 O ATOM 8162 H1 TIP3 1772 54.951 77.655 44.489 1.00 0.00 WT1 H ATOM 8163 H2 TIP3 1772 55.074 79.069 43.961 1.00 0.00 WT1 H ATOM 8164 OH2 TIP3 1773 52.816 47.778 46.563 1.00 0.00 WT1 O ATOM 8165 H1 TIP3 1773 53.483 48.449 46.414 1.00 0.00 WT1 H ATOM 8166 H2 TIP3 1773 53.310 46.961 46.635 1.00 0.00 WT1 H ATOM 8167 OH2 TIP3 1774 53.086 46.638 -6.921 1.00 0.00 WT1 O ATOM 8168 H1 TIP3 1774 52.735 46.060 -6.243 1.00 0.00 WT1 H ATOM 8169 H2 TIP3 1774 53.868 47.023 -6.526 1.00 0.00 WT1 H ATOM 8170 OH2 TIP3 1775 47.616 64.755 55.112 1.00 0.00 WT1 O ATOM 8171 H1 TIP3 1775 46.968 64.305 55.654 1.00 0.00 WT1 H ATOM 8172 H2 TIP3 1775 47.465 64.417 54.229 1.00 0.00 WT1 H ATOM 8173 OH2 TIP3 1776 87.751 87.555 2.048 1.00 0.00 WT1 O ATOM 8174 H1 TIP3 1776 87.392 87.230 2.873 1.00 0.00 WT1 H ATOM 8175 H2 TIP3 1776 88.523 88.060 2.304 1.00 0.00 WT1 H ATOM 8176 OH2 TIP3 1777 31.006 52.127 33.420 1.00 0.00 WT1 O ATOM 8177 H1 TIP3 1777 31.057 52.493 34.303 1.00 0.00 WT1 H ATOM 8178 H2 TIP3 1777 30.068 52.058 33.243 1.00 0.00 WT1 H ATOM 8179 OH2 TIP3 1778 28.943 20.813 16.815 1.00 0.00 WT1 O ATOM 8180 H1 TIP3 1778 29.636 21.267 17.294 1.00 0.00 WT1 H ATOM 8181 H2 TIP3 1778 28.215 21.435 16.800 1.00 0.00 WT1 H ATOM 8182 OH2 TIP3 1779 69.079 37.329 61.845 1.00 0.00 WT1 O ATOM 8183 H1 TIP3 1779 68.888 36.656 62.497 1.00 0.00 WT1 H ATOM 8184 H2 TIP3 1779 69.979 37.596 62.033 1.00 0.00 WT1 H ATOM 8185 OH2 TIP3 1781 63.090 18.316 -1.940 1.00 0.00 WT1 O ATOM 8186 H1 TIP3 1781 63.030 19.089 -2.502 1.00 0.00 WT1 H ATOM 8187 H2 TIP3 1781 62.270 18.314 -1.446 1.00 0.00 WT1 H ATOM 8188 OH2 TIP3 1782 60.355 77.974 65.493 1.00 0.00 WT1 O ATOM 8189 H1 TIP3 1782 59.835 77.444 64.888 1.00 0.00 WT1 H ATOM 8190 H2 TIP3 1782 61.263 77.784 65.257 1.00 0.00 WT1 H ATOM 8191 OH2 TIP3 1783 57.319 72.102 57.086 1.00 0.00 WT1 O ATOM 8192 H1 TIP3 1783 57.190 71.179 57.304 1.00 0.00 WT1 H ATOM 8193 H2 TIP3 1783 56.637 72.562 57.575 1.00 0.00 WT1 H ATOM 8194 OH2 TIP3 1784 47.298 32.121 -9.749 1.00 0.00 WT1 O ATOM 8195 H1 TIP3 1784 47.866 32.570 -9.124 1.00 0.00 WT1 H ATOM 8196 H2 TIP3 1784 46.566 31.800 -9.222 1.00 0.00 WT1 H ATOM 8197 OH2 TIP3 1785 56.350 28.729 39.194 1.00 0.00 WT1 O ATOM 8198 H1 TIP3 1785 55.580 28.856 39.748 1.00 0.00 WT1 H ATOM 8199 H2 TIP3 1785 56.660 29.615 39.007 1.00 0.00 WT1 H ATOM 8200 OH2 TIP3 1786 35.396 91.675 37.065 1.00 0.00 WT1 O ATOM 8201 H1 TIP3 1786 34.584 91.573 37.562 1.00 0.00 WT1 H ATOM 8202 H2 TIP3 1786 35.956 90.962 37.372 1.00 0.00 WT1 H ATOM 8203 OH2 TIP3 1787 42.518 54.737 18.767 1.00 0.00 WT1 O ATOM 8204 H1 TIP3 1787 41.562 54.782 18.751 1.00 0.00 WT1 H ATOM 8205 H2 TIP3 1787 42.803 55.526 18.304 1.00 0.00 WT1 H ATOM 8206 OH2 TIP3 1788 40.017 31.232 32.337 1.00 0.00 WT1 O ATOM 8207 H1 TIP3 1788 40.360 31.167 31.446 1.00 0.00 WT1 H ATOM 8208 H2 TIP3 1788 40.251 32.115 32.622 1.00 0.00 WT1 H ATOM 8209 OH2 TIP3 1789 63.136 4.548 57.060 1.00 0.00 WT1 O ATOM 8210 H1 TIP3 1789 63.767 4.241 57.710 1.00 0.00 WT1 H ATOM 8211 H2 TIP3 1789 62.307 4.146 57.322 1.00 0.00 WT1 H ATOM 8212 OH2 TIP3 1790 71.943 14.891 -5.862 1.00 0.00 WT1 O ATOM 8213 H1 TIP3 1790 71.275 14.775 -5.186 1.00 0.00 WT1 H ATOM 8214 H2 TIP3 1790 72.111 15.833 -5.874 1.00 0.00 WT1 H ATOM 8215 OH2 TIP3 1791 73.524 48.531 -5.843 1.00 0.00 WT1 O ATOM 8216 H1 TIP3 1791 73.985 48.114 -5.115 1.00 0.00 WT1 H ATOM 8217 H2 TIP3 1791 72.605 48.298 -5.710 1.00 0.00 WT1 H ATOM 8218 OH2 TIP3 1792 52.181 80.182 -1.440 1.00 0.00 WT1 O ATOM 8219 H1 TIP3 1792 52.577 80.750 -2.101 1.00 0.00 WT1 H ATOM 8220 H2 TIP3 1792 52.088 79.335 -1.876 1.00 0.00 WT1 H ATOM 8221 OH2 TIP3 1793 49.256 47.450 -3.817 1.00 0.00 WT1 O ATOM 8222 H1 TIP3 1793 49.885 47.329 -3.106 1.00 0.00 WT1 H ATOM 8223 H2 TIP3 1793 48.488 47.834 -3.395 1.00 0.00 WT1 H ATOM 8224 OH2 TIP3 1794 57.580 68.919 58.199 1.00 0.00 WT1 O ATOM 8225 H1 TIP3 1794 57.260 68.070 57.892 1.00 0.00 WT1 H ATOM 8226 H2 TIP3 1794 57.855 68.759 59.102 1.00 0.00 WT1 H ATOM 8227 OH2 TIP3 1795 31.384 22.939 60.166 1.00 0.00 WT1 O ATOM 8228 H1 TIP3 1795 31.348 22.042 60.498 1.00 0.00 WT1 H ATOM 8229 H2 TIP3 1795 32.315 23.164 60.184 1.00 0.00 WT1 H ATOM 8230 OH2 TIP3 1796 30.828 33.682 10.993 1.00 0.00 WT1 O ATOM 8231 H1 TIP3 1796 30.604 33.575 10.068 1.00 0.00 WT1 H ATOM 8232 H2 TIP3 1796 31.696 34.085 10.984 1.00 0.00 WT1 H ATOM 8233 OH2 TIP3 1797 47.187 16.884 19.252 1.00 0.00 WT1 O ATOM 8234 H1 TIP3 1797 47.212 17.764 19.627 1.00 0.00 WT1 H ATOM 8235 H2 TIP3 1797 46.832 17.009 18.372 1.00 0.00 WT1 H ATOM 8236 OH2 TIP3 1798 31.005 17.974 0.251 1.00 0.00 WT1 O ATOM 8237 H1 TIP3 1798 31.146 18.251 1.157 1.00 0.00 WT1 H ATOM 8238 H2 TIP3 1798 31.389 18.675 -0.276 1.00 0.00 WT1 H ATOM 8239 OH2 TIP3 1799 42.551 27.264 35.252 1.00 0.00 WT1 O ATOM 8240 H1 TIP3 1799 43.069 26.462 35.197 1.00 0.00 WT1 H ATOM 8241 H2 TIP3 1799 42.896 27.721 36.020 1.00 0.00 WT1 H ATOM 8242 OH2 TIP3 1800 88.242 94.351 63.774 1.00 0.00 WT1 O ATOM 8243 H1 TIP3 1800 88.911 94.673 63.170 1.00 0.00 WT1 H ATOM 8244 H2 TIP3 1800 87.649 95.092 63.893 1.00 0.00 WT1 H ATOM 8245 OH2 TIP3 1801 24.540 66.984 21.975 1.00 0.00 WT1 O ATOM 8246 H1 TIP3 1801 25.203 67.013 21.285 1.00 0.00 WT1 H ATOM 8247 H2 TIP3 1801 24.000 67.760 21.822 1.00 0.00 WT1 H ATOM 8248 OH2 TIP3 1802 74.713 73.592 15.188 1.00 0.00 WT1 O ATOM 8249 H1 TIP3 1802 74.728 72.916 14.510 1.00 0.00 WT1 H ATOM 8250 H2 TIP3 1802 73.874 74.036 15.065 1.00 0.00 WT1 H ATOM 8251 OH2 TIP3 1803 86.652 71.461 22.378 1.00 0.00 WT1 O ATOM 8252 H1 TIP3 1803 85.812 71.124 22.067 1.00 0.00 WT1 H ATOM 8253 H2 TIP3 1803 87.305 70.893 21.970 1.00 0.00 WT1 H ATOM 8254 OH2 TIP3 1804 64.656 35.470 40.588 1.00 0.00 WT1 O ATOM 8255 H1 TIP3 1804 64.362 36.157 39.989 1.00 0.00 WT1 H ATOM 8256 H2 TIP3 1804 65.451 35.123 40.183 1.00 0.00 WT1 H ATOM 8257 OH2 TIP3 1805 42.802 18.623 41.853 1.00 0.00 WT1 O ATOM 8258 H1 TIP3 1805 41.932 18.286 42.066 1.00 0.00 WT1 H ATOM 8259 H2 TIP3 1805 42.834 18.618 40.896 1.00 0.00 WT1 H ATOM 8260 OH2 TIP3 1807 67.027 67.826 55.758 1.00 0.00 WT1 O ATOM 8261 H1 TIP3 1807 66.134 67.797 56.102 1.00 0.00 WT1 H ATOM 8262 H2 TIP3 1807 66.932 67.625 54.827 1.00 0.00 WT1 H ATOM 8263 OH2 TIP3 1808 86.182 12.527 52.528 1.00 0.00 WT1 O ATOM 8264 H1 TIP3 1808 86.875 12.905 51.987 1.00 0.00 WT1 H ATOM 8265 H2 TIP3 1808 86.410 12.781 53.422 1.00 0.00 WT1 H ATOM 8266 OH2 TIP3 1809 85.689 39.341 -6.033 1.00 0.00 WT1 O ATOM 8267 H1 TIP3 1809 86.618 39.285 -5.808 1.00 0.00 WT1 H ATOM 8268 H2 TIP3 1809 85.236 38.962 -5.280 1.00 0.00 WT1 H ATOM 8269 OH2 TIP3 1810 77.919 34.205 -2.277 1.00 0.00 WT1 O ATOM 8270 H1 TIP3 1810 77.306 34.462 -1.588 1.00 0.00 WT1 H ATOM 8271 H2 TIP3 1810 78.464 33.529 -1.874 1.00 0.00 WT1 H ATOM 8272 OH2 TIP3 1811 34.349 7.838 -17.680 1.00 0.00 WT1 O ATOM 8273 H1 TIP3 1811 33.641 7.606 -18.280 1.00 0.00 WT1 H ATOM 8274 H2 TIP3 1811 35.138 7.823 -18.222 1.00 0.00 WT1 H ATOM 8275 OH2 TIP3 1812 48.233 78.067 -16.290 1.00 0.00 WT1 O ATOM 8276 H1 TIP3 1812 47.608 78.273 -16.984 1.00 0.00 WT1 H ATOM 8277 H2 TIP3 1812 48.414 78.908 -15.870 1.00 0.00 WT1 H ATOM 8278 OH2 TIP3 1813 55.561 19.508 0.050 1.00 0.00 WT1 O ATOM 8279 H1 TIP3 1813 55.270 20.413 -0.067 1.00 0.00 WT1 H ATOM 8280 H2 TIP3 1813 55.605 19.391 0.999 1.00 0.00 WT1 H ATOM 8281 OH2 TIP3 1814 87.040 37.908 33.162 1.00 0.00 WT1 O ATOM 8282 H1 TIP3 1814 86.692 37.066 33.455 1.00 0.00 WT1 H ATOM 8283 H2 TIP3 1814 86.943 37.889 32.210 1.00 0.00 WT1 H ATOM 8284 OH2 TIP3 1815 31.945 58.783 37.944 1.00 0.00 WT1 O ATOM 8285 H1 TIP3 1815 31.572 59.660 38.040 1.00 0.00 WT1 H ATOM 8286 H2 TIP3 1815 32.142 58.707 37.010 1.00 0.00 WT1 H ATOM 8287 OH2 TIP3 1816 51.530 84.379 57.446 1.00 0.00 WT1 O ATOM 8288 H1 TIP3 1816 51.956 85.189 57.728 1.00 0.00 WT1 H ATOM 8289 H2 TIP3 1816 52.176 83.695 57.623 1.00 0.00 WT1 H ATOM 8290 OH2 TIP3 1817 81.986 81.231 18.231 1.00 0.00 WT1 O ATOM 8291 H1 TIP3 1817 82.707 81.224 18.860 1.00 0.00 WT1 H ATOM 8292 H2 TIP3 1817 81.314 80.677 18.629 1.00 0.00 WT1 H ATOM 8293 OH2 TIP3 1818 90.818 19.848 -14.518 1.00 0.00 WT1 O ATOM 8294 H1 TIP3 1818 90.173 19.146 -14.431 1.00 0.00 WT1 H ATOM 8295 H2 TIP3 1818 90.303 20.617 -14.764 1.00 0.00 WT1 H ATOM 8296 OH2 TIP3 1819 44.590 26.831 -1.600 1.00 0.00 WT1 O ATOM 8297 H1 TIP3 1819 45.266 26.161 -1.501 1.00 0.00 WT1 H ATOM 8298 H2 TIP3 1819 45.048 27.659 -1.454 1.00 0.00 WT1 H ATOM 8299 OH2 TIP3 1820 71.167 88.310 48.220 1.00 0.00 WT1 O ATOM 8300 H1 TIP3 1820 72.114 88.263 48.087 1.00 0.00 WT1 H ATOM 8301 H2 TIP3 1820 70.919 87.429 48.499 1.00 0.00 WT1 H ATOM 8302 OH2 TIP3 1821 45.115 1.706 62.709 1.00 0.00 WT1 O ATOM 8303 H1 TIP3 1821 44.324 1.209 62.499 1.00 0.00 WT1 H ATOM 8304 H2 TIP3 1821 45.261 1.541 63.641 1.00 0.00 WT1 H ATOM 8305 OH2 TIP3 1823 80.498 92.795 -2.048 1.00 0.00 WT1 O ATOM 8306 H1 TIP3 1823 79.884 93.229 -1.455 1.00 0.00 WT1 H ATOM 8307 H2 TIP3 1823 80.217 91.880 -2.058 1.00 0.00 WT1 H ATOM 8308 OH2 TIP3 1824 74.904 13.492 45.915 1.00 0.00 WT1 O ATOM 8309 H1 TIP3 1824 75.445 12.724 46.097 1.00 0.00 WT1 H ATOM 8310 H2 TIP3 1824 74.110 13.137 45.516 1.00 0.00 WT1 H ATOM 8311 OH2 TIP3 1825 36.416 15.247 26.471 1.00 0.00 WT1 O ATOM 8312 H1 TIP3 1825 36.656 15.423 25.561 1.00 0.00 WT1 H ATOM 8313 H2 TIP3 1825 36.078 16.082 26.795 1.00 0.00 WT1 H ATOM 8314 OH2 TIP3 1826 55.374 72.763 -0.736 1.00 0.00 WT1 O ATOM 8315 H1 TIP3 1826 55.707 73.431 -0.137 1.00 0.00 WT1 H ATOM 8316 H2 TIP3 1826 55.703 71.937 -0.382 1.00 0.00 WT1 H ATOM 8317 OH2 TIP3 1827 61.766 95.702 -19.311 1.00 0.00 WT1 O ATOM 8318 H1 TIP3 1827 61.765 96.152 -18.466 1.00 0.00 WT1 H ATOM 8319 H2 TIP3 1827 61.064 96.123 -19.807 1.00 0.00 WT1 H ATOM 8320 OH2 TIP3 1828 62.708 34.167 46.501 1.00 0.00 WT1 O ATOM 8321 H1 TIP3 1828 62.656 35.009 46.049 1.00 0.00 WT1 H ATOM 8322 H2 TIP3 1828 62.260 33.554 45.918 1.00 0.00 WT1 H ATOM 8323 OH2 TIP3 1829 27.492 67.334 30.021 1.00 0.00 WT1 O ATOM 8324 H1 TIP3 1829 27.090 67.952 29.411 1.00 0.00 WT1 H ATOM 8325 H2 TIP3 1829 28.080 67.870 30.554 1.00 0.00 WT1 H ATOM 8326 OH2 TIP3 1830 81.890 23.431 62.441 1.00 0.00 WT1 O ATOM 8327 H1 TIP3 1830 82.840 23.322 62.392 1.00 0.00 WT1 H ATOM 8328 H2 TIP3 1830 81.596 23.380 61.532 1.00 0.00 WT1 H ATOM 8329 OH2 TIP3 1831 68.862 63.758 65.124 1.00 0.00 WT1 O ATOM 8330 H1 TIP3 1831 68.847 63.607 66.069 1.00 0.00 WT1 H ATOM 8331 H2 TIP3 1831 69.732 63.472 64.849 1.00 0.00 WT1 H ATOM 8332 OH2 TIP3 1832 62.653 92.591 62.505 1.00 0.00 WT1 O ATOM 8333 H1 TIP3 1832 62.993 91.776 62.135 1.00 0.00 WT1 H ATOM 8334 H2 TIP3 1832 63.346 93.232 62.352 1.00 0.00 WT1 H ATOM 8335 OH2 TIP3 1833 28.392 66.503 33.591 1.00 0.00 WT1 O ATOM 8336 H1 TIP3 1833 27.993 65.832 33.037 1.00 0.00 WT1 H ATOM 8337 H2 TIP3 1833 28.955 66.014 34.192 1.00 0.00 WT1 H ATOM 8338 OH2 TIP3 1834 43.091 37.732 18.151 1.00 0.00 WT1 O ATOM 8339 H1 TIP3 1834 43.610 37.465 18.910 1.00 0.00 WT1 H ATOM 8340 H2 TIP3 1834 42.760 36.912 17.786 1.00 0.00 WT1 H ATOM 8341 OH2 TIP3 1835 66.445 17.774 60.997 1.00 0.00 WT1 O ATOM 8342 H1 TIP3 1835 65.629 18.270 60.920 1.00 0.00 WT1 H ATOM 8343 H2 TIP3 1835 66.184 16.862 60.867 1.00 0.00 WT1 H ATOM 8344 OH2 TIP3 1836 88.504 1.020 -0.745 1.00 0.00 WT1 O ATOM 8345 H1 TIP3 1836 87.568 1.132 -0.578 1.00 0.00 WT1 H ATOM 8346 H2 TIP3 1836 88.931 1.385 0.030 1.00 0.00 WT1 H ATOM 8347 OH2 TIP3 1837 33.077 24.111 39.777 1.00 0.00 WT1 O ATOM 8348 H1 TIP3 1837 33.682 24.392 39.090 1.00 0.00 WT1 H ATOM 8349 H2 TIP3 1837 33.325 23.204 39.958 1.00 0.00 WT1 H ATOM 8350 OH2 TIP3 1838 45.587 29.481 61.247 1.00 0.00 WT1 O ATOM 8351 H1 TIP3 1838 46.127 29.286 60.480 1.00 0.00 WT1 H ATOM 8352 H2 TIP3 1838 44.891 28.825 61.224 1.00 0.00 WT1 H ATOM 8353 OH2 TIP3 1839 20.460 2.363 -7.922 1.00 0.00 WT1 O ATOM 8354 H1 TIP3 1839 21.131 2.356 -8.604 1.00 0.00 WT1 H ATOM 8355 H2 TIP3 1839 19.633 2.439 -8.398 1.00 0.00 WT1 H ATOM 8356 OH2 TIP3 1841 51.954 93.184 33.086 1.00 0.00 WT1 O ATOM 8357 H1 TIP3 1841 51.455 92.477 32.678 1.00 0.00 WT1 H ATOM 8358 H2 TIP3 1841 52.001 93.864 32.414 1.00 0.00 WT1 H ATOM 8359 OH2 TIP3 1842 90.129 95.859 16.178 1.00 0.00 WT1 O ATOM 8360 H1 TIP3 1842 89.174 95.916 16.204 1.00 0.00 WT1 H ATOM 8361 H2 TIP3 1842 90.308 95.077 15.656 1.00 0.00 WT1 H ATOM 8362 OH2 TIP3 1843 39.707 52.598 53.210 1.00 0.00 WT1 O ATOM 8363 H1 TIP3 1843 40.193 53.288 53.664 1.00 0.00 WT1 H ATOM 8364 H2 TIP3 1843 38.888 52.520 53.700 1.00 0.00 WT1 H ATOM 8365 OH2 TIP3 1844 40.343 29.111 52.106 1.00 0.00 WT1 O ATOM 8366 H1 TIP3 1844 40.960 28.711 52.718 1.00 0.00 WT1 H ATOM 8367 H2 TIP3 1844 40.867 29.746 51.618 1.00 0.00 WT1 H ATOM 8368 OH2 TIP3 1845 83.955 68.484 15.227 1.00 0.00 WT1 O ATOM 8369 H1 TIP3 1845 84.791 68.383 15.680 1.00 0.00 WT1 H ATOM 8370 H2 TIP3 1845 84.183 68.887 14.389 1.00 0.00 WT1 H ATOM 8371 OH2 TIP3 1846 80.017 26.979 47.741 1.00 0.00 WT1 O ATOM 8372 H1 TIP3 1846 79.090 26.795 47.586 1.00 0.00 WT1 H ATOM 8373 H2 TIP3 1846 80.415 26.959 46.870 1.00 0.00 WT1 H ATOM 8374 OH2 TIP3 1847 55.609 18.687 28.621 1.00 0.00 WT1 O ATOM 8375 H1 TIP3 1847 56.347 18.082 28.541 1.00 0.00 WT1 H ATOM 8376 H2 TIP3 1847 55.772 19.354 27.954 1.00 0.00 WT1 H ATOM 8377 OH2 TIP3 1848 75.639 73.996 10.921 1.00 0.00 WT1 O ATOM 8378 H1 TIP3 1848 75.460 74.772 11.453 1.00 0.00 WT1 H ATOM 8379 H2 TIP3 1848 75.407 73.259 11.486 1.00 0.00 WT1 H ATOM 8380 OH2 TIP3 1850 31.182 85.442 33.951 1.00 0.00 WT1 O ATOM 8381 H1 TIP3 1850 30.426 86.007 34.109 1.00 0.00 WT1 H ATOM 8382 H2 TIP3 1850 30.826 84.553 33.976 1.00 0.00 WT1 H ATOM 8383 OH2 TIP3 1851 36.395 1.721 52.765 1.00 0.00 WT1 O ATOM 8384 H1 TIP3 1851 37.277 2.045 52.948 1.00 0.00 WT1 H ATOM 8385 H2 TIP3 1851 35.814 2.353 53.189 1.00 0.00 WT1 H ATOM 8386 OH2 TIP3 1852 41.992 41.144 1.741 1.00 0.00 WT1 O ATOM 8387 H1 TIP3 1852 42.208 41.617 2.545 1.00 0.00 WT1 H ATOM 8388 H2 TIP3 1852 42.106 40.221 1.969 1.00 0.00 WT1 H ATOM 8389 OH2 TIP3 1853 61.379 31.507 -1.770 1.00 0.00 WT1 O ATOM 8390 H1 TIP3 1853 62.190 32.006 -1.672 1.00 0.00 WT1 H ATOM 8391 H2 TIP3 1853 60.972 31.865 -2.559 1.00 0.00 WT1 H ATOM 8392 OH2 TIP3 1854 75.512 57.484 -4.346 1.00 0.00 WT1 O ATOM 8393 H1 TIP3 1854 75.308 57.125 -5.209 1.00 0.00 WT1 H ATOM 8394 H2 TIP3 1854 75.865 58.356 -4.526 1.00 0.00 WT1 H ATOM 8395 OH2 TIP3 1855 44.287 64.719 -5.762 1.00 0.00 WT1 O ATOM 8396 H1 TIP3 1855 43.657 64.020 -5.938 1.00 0.00 WT1 H ATOM 8397 H2 TIP3 1855 44.120 64.970 -4.853 1.00 0.00 WT1 H ATOM 8398 OH2 TIP3 1856 27.311 52.659 32.665 1.00 0.00 WT1 O ATOM 8399 H1 TIP3 1856 27.803 51.901 32.981 1.00 0.00 WT1 H ATOM 8400 H2 TIP3 1856 27.778 52.937 31.877 1.00 0.00 WT1 H ATOM 8401 OH2 TIP3 1858 59.025 90.030 62.623 1.00 0.00 WT1 O ATOM 8402 H1 TIP3 1858 59.636 89.997 63.359 1.00 0.00 WT1 H ATOM 8403 H2 TIP3 1858 59.541 89.743 61.870 1.00 0.00 WT1 H ATOM 8404 OH2 TIP3 1859 60.510 95.896 53.525 1.00 0.00 WT1 O ATOM 8405 H1 TIP3 1859 60.896 96.681 53.136 1.00 0.00 WT1 H ATOM 8406 H2 TIP3 1859 59.858 95.608 52.886 1.00 0.00 WT1 H ATOM 8407 OH2 TIP3 1860 41.520 55.447 2.528 1.00 0.00 WT1 O ATOM 8408 H1 TIP3 1860 41.166 54.969 1.778 1.00 0.00 WT1 H ATOM 8409 H2 TIP3 1860 42.466 55.319 2.469 1.00 0.00 WT1 H ATOM 8410 OH2 TIP3 1861 90.798 47.743 5.228 1.00 0.00 WT1 O ATOM 8411 H1 TIP3 1861 90.727 46.949 5.758 1.00 0.00 WT1 H ATOM 8412 H2 TIP3 1861 89.894 47.958 4.996 1.00 0.00 WT1 H ATOM 8413 OH2 TIP3 1862 87.188 62.975 -16.297 1.00 0.00 WT1 O ATOM 8414 H1 TIP3 1862 86.520 63.648 -16.169 1.00 0.00 WT1 H ATOM 8415 H2 TIP3 1862 87.975 63.461 -16.540 1.00 0.00 WT1 H ATOM 8416 OH2 TIP3 1863 53.208 4.058 63.615 1.00 0.00 WT1 O ATOM 8417 H1 TIP3 1863 53.967 4.580 63.876 1.00 0.00 WT1 H ATOM 8418 H2 TIP3 1863 53.506 3.566 62.851 1.00 0.00 WT1 H ATOM 8419 OH2 TIP3 1864 66.467 20.512 57.148 1.00 0.00 WT1 O ATOM 8420 H1 TIP3 1864 66.793 21.049 57.869 1.00 0.00 WT1 H ATOM 8421 H2 TIP3 1864 65.820 19.933 57.552 1.00 0.00 WT1 H ATOM 8422 OH2 TIP3 1866 38.092 34.281 24.228 1.00 0.00 WT1 O ATOM 8423 H1 TIP3 1866 37.711 34.166 23.358 1.00 0.00 WT1 H ATOM 8424 H2 TIP3 1866 38.918 34.737 24.071 1.00 0.00 WT1 H ATOM 8425 OH2 TIP3 1867 28.743 78.106 49.039 1.00 0.00 WT1 O ATOM 8426 H1 TIP3 1867 27.921 78.162 49.527 1.00 0.00 WT1 H ATOM 8427 H2 TIP3 1867 29.387 78.533 49.603 1.00 0.00 WT1 H ATOM 8428 OH2 TIP3 1868 76.870 8.802 61.153 1.00 0.00 WT1 O ATOM 8429 H1 TIP3 1868 77.406 9.391 60.621 1.00 0.00 WT1 H ATOM 8430 H2 TIP3 1868 76.557 8.140 60.536 1.00 0.00 WT1 H ATOM 8431 OH2 TIP3 1869 25.861 57.297 8.534 1.00 0.00 WT1 O ATOM 8432 H1 TIP3 1869 25.422 58.148 8.539 1.00 0.00 WT1 H ATOM 8433 H2 TIP3 1869 26.710 57.466 8.127 1.00 0.00 WT1 H ATOM 8434 OH2 TIP3 1870 56.161 1.133 -15.731 1.00 0.00 WT1 O ATOM 8435 H1 TIP3 1870 55.785 0.525 -15.094 1.00 0.00 WT1 H ATOM 8436 H2 TIP3 1870 56.004 2.000 -15.357 1.00 0.00 WT1 H ATOM 8437 OH2 TIP3 1871 51.162 90.509 29.229 1.00 0.00 WT1 O ATOM 8438 H1 TIP3 1871 51.013 91.021 28.434 1.00 0.00 WT1 H ATOM 8439 H2 TIP3 1871 50.694 89.688 29.076 1.00 0.00 WT1 H ATOM 8440 OH2 TIP3 1872 79.357 82.201 48.845 1.00 0.00 WT1 O ATOM 8441 H1 TIP3 1872 78.430 81.964 48.875 1.00 0.00 WT1 H ATOM 8442 H2 TIP3 1872 79.820 81.372 48.967 1.00 0.00 WT1 H ATOM 8443 OH2 TIP3 1873 86.869 76.781 -17.501 1.00 0.00 WT1 O ATOM 8444 H1 TIP3 1873 86.538 75.910 -17.719 1.00 0.00 WT1 H ATOM 8445 H2 TIP3 1873 86.279 77.099 -16.817 1.00 0.00 WT1 H ATOM 8446 OH2 TIP3 1874 44.327 84.772 -13.667 1.00 0.00 WT1 O ATOM 8447 H1 TIP3 1874 43.522 84.509 -13.220 1.00 0.00 WT1 H ATOM 8448 H2 TIP3 1874 44.505 85.655 -13.342 1.00 0.00 WT1 H ATOM 8449 OH2 TIP3 1875 83.877 1.054 51.815 1.00 0.00 WT1 O ATOM 8450 H1 TIP3 1875 83.633 1.628 51.089 1.00 0.00 WT1 H ATOM 8451 H2 TIP3 1875 83.307 1.323 52.536 1.00 0.00 WT1 H ATOM 8452 OH2 TIP3 1876 44.978 85.459 10.598 1.00 0.00 WT1 O ATOM 8453 H1 TIP3 1876 44.405 85.664 9.859 1.00 0.00 WT1 H ATOM 8454 H2 TIP3 1876 45.567 84.782 10.265 1.00 0.00 WT1 H ATOM 8455 OH2 TIP3 1877 41.271 28.942 26.574 1.00 0.00 WT1 O ATOM 8456 H1 TIP3 1877 40.439 29.403 26.679 1.00 0.00 WT1 H ATOM 8457 H2 TIP3 1877 41.926 29.545 26.923 1.00 0.00 WT1 H ATOM 8458 OH2 TIP3 1878 45.752 74.155 -1.402 1.00 0.00 WT1 O ATOM 8459 H1 TIP3 1878 44.838 73.894 -1.511 1.00 0.00 WT1 H ATOM 8460 H2 TIP3 1878 45.974 73.882 -0.511 1.00 0.00 WT1 H ATOM 8461 OH2 TIP3 1879 74.494 89.304 53.638 1.00 0.00 WT1 O ATOM 8462 H1 TIP3 1879 74.171 88.990 52.794 1.00 0.00 WT1 H ATOM 8463 H2 TIP3 1879 74.104 88.711 54.280 1.00 0.00 WT1 H ATOM 8464 OH2 TIP3 1880 61.222 30.580 63.962 1.00 0.00 WT1 O ATOM 8465 H1 TIP3 1880 60.816 31.438 64.088 1.00 0.00 WT1 H ATOM 8466 H2 TIP3 1880 61.533 30.331 64.832 1.00 0.00 WT1 H ATOM 8467 OH2 TIP3 1881 22.012 41.906 56.062 1.00 0.00 WT1 O ATOM 8468 H1 TIP3 1881 22.083 42.854 55.950 1.00 0.00 WT1 H ATOM 8469 H2 TIP3 1881 21.856 41.787 56.999 1.00 0.00 WT1 H ATOM 8470 OH2 TIP3 1882 67.226 19.169 -11.239 1.00 0.00 WT1 O ATOM 8471 H1 TIP3 1882 67.732 19.077 -10.432 1.00 0.00 WT1 H ATOM 8472 H2 TIP3 1882 67.225 20.109 -11.416 1.00 0.00 WT1 H ATOM 8473 OH2 TIP3 1883 76.710 26.797 6.745 1.00 0.00 WT1 O ATOM 8474 H1 TIP3 1883 76.068 26.159 7.056 1.00 0.00 WT1 H ATOM 8475 H2 TIP3 1883 77.112 27.142 7.542 1.00 0.00 WT1 H ATOM 8476 OH2 TIP3 1884 24.400 69.742 7.786 1.00 0.00 WT1 O ATOM 8477 H1 TIP3 1884 24.840 70.369 8.359 1.00 0.00 WT1 H ATOM 8478 H2 TIP3 1884 24.666 69.996 6.902 1.00 0.00 WT1 H ATOM 8479 OH2 TIP3 1885 55.005 3.948 15.855 1.00 0.00 WT1 O ATOM 8480 H1 TIP3 1885 54.185 3.961 16.349 1.00 0.00 WT1 H ATOM 8481 H2 TIP3 1885 55.652 3.605 16.471 1.00 0.00 WT1 H ATOM 8482 OH2 TIP3 1886 34.137 20.231 26.797 1.00 0.00 WT1 O ATOM 8483 H1 TIP3 1886 34.775 20.777 27.256 1.00 0.00 WT1 H ATOM 8484 H2 TIP3 1886 34.150 20.553 25.895 1.00 0.00 WT1 H ATOM 8485 OH2 TIP3 1887 23.777 3.469 56.199 1.00 0.00 WT1 O ATOM 8486 H1 TIP3 1887 24.584 3.820 56.575 1.00 0.00 WT1 H ATOM 8487 H2 TIP3 1887 24.023 3.200 55.313 1.00 0.00 WT1 H ATOM 8488 OH2 TIP3 1888 79.420 36.249 18.233 1.00 0.00 WT1 O ATOM 8489 H1 TIP3 1888 78.468 36.294 18.146 1.00 0.00 WT1 H ATOM 8490 H2 TIP3 1888 79.585 35.391 18.624 1.00 0.00 WT1 H ATOM 8491 OH2 TIP3 1889 84.807 95.808 49.640 1.00 0.00 WT1 O ATOM 8492 H1 TIP3 1889 83.922 96.155 49.753 1.00 0.00 WT1 H ATOM 8493 H2 TIP3 1889 85.176 95.798 50.522 1.00 0.00 WT1 H ATOM 8494 OH2 TIP3 1890 70.745 95.789 40.900 1.00 0.00 WT1 O ATOM 8495 H1 TIP3 1890 71.053 95.226 41.610 1.00 0.00 WT1 H ATOM 8496 H2 TIP3 1890 70.010 95.312 40.516 1.00 0.00 WT1 H ATOM 8497 OH2 TIP3 1891 54.002 35.132 -6.285 1.00 0.00 WT1 O ATOM 8498 H1 TIP3 1891 53.974 35.409 -7.200 1.00 0.00 WT1 H ATOM 8499 H2 TIP3 1891 54.648 35.710 -5.879 1.00 0.00 WT1 H ATOM 8500 OH2 TIP3 1892 39.543 26.778 61.612 1.00 0.00 WT1 O ATOM 8501 H1 TIP3 1892 39.360 27.633 62.003 1.00 0.00 WT1 H ATOM 8502 H2 TIP3 1892 40.252 26.418 62.145 1.00 0.00 WT1 H ATOM 8503 OH2 TIP3 1893 34.484 25.296 -19.309 1.00 0.00 WT1 O ATOM 8504 H1 TIP3 1893 33.532 25.271 -19.407 1.00 0.00 WT1 H ATOM 8505 H2 TIP3 1893 34.749 24.376 -19.309 1.00 0.00 WT1 H ATOM 8506 OH2 TIP3 1894 61.071 20.819 -14.923 1.00 0.00 WT1 O ATOM 8507 H1 TIP3 1894 61.044 19.903 -15.201 1.00 0.00 WT1 H ATOM 8508 H2 TIP3 1894 61.527 21.271 -15.633 1.00 0.00 WT1 H ATOM 8509 OH2 TIP3 1895 80.070 22.785 -14.645 1.00 0.00 WT1 O ATOM 8510 H1 TIP3 1895 79.493 23.476 -14.322 1.00 0.00 WT1 H ATOM 8511 H2 TIP3 1895 80.641 23.224 -15.276 1.00 0.00 WT1 H ATOM 8512 OH2 TIP3 1896 50.286 80.809 11.981 1.00 0.00 WT1 O ATOM 8513 H1 TIP3 1896 50.127 79.976 11.536 1.00 0.00 WT1 H ATOM 8514 H2 TIP3 1896 49.438 81.048 12.355 1.00 0.00 WT1 H ATOM 8515 OH2 TIP3 1897 53.408 87.016 -8.519 1.00 0.00 WT1 O ATOM 8516 H1 TIP3 1897 53.863 86.257 -8.154 1.00 0.00 WT1 H ATOM 8517 H2 TIP3 1897 53.399 86.858 -9.463 1.00 0.00 WT1 H ATOM 8518 OH2 TIP3 1898 35.865 27.092 28.889 1.00 0.00 WT1 O ATOM 8519 H1 TIP3 1898 36.101 26.471 28.200 1.00 0.00 WT1 H ATOM 8520 H2 TIP3 1898 36.282 27.913 28.626 1.00 0.00 WT1 H ATOM 8521 OH2 TIP3 1899 76.740 75.133 21.796 1.00 0.00 WT1 O ATOM 8522 H1 TIP3 1899 77.350 74.481 22.142 1.00 0.00 WT1 H ATOM 8523 H2 TIP3 1899 77.072 75.969 22.123 1.00 0.00 WT1 H ATOM 8524 OH2 TIP3 1900 42.527 1.674 10.262 1.00 0.00 WT1 O ATOM 8525 H1 TIP3 1900 42.974 0.827 10.281 1.00 0.00 WT1 H ATOM 8526 H2 TIP3 1900 42.330 1.821 9.337 1.00 0.00 WT1 H ATOM 8527 OH2 TIP3 1901 30.253 26.009 27.088 1.00 0.00 WT1 O ATOM 8528 H1 TIP3 1901 30.580 26.392 26.274 1.00 0.00 WT1 H ATOM 8529 H2 TIP3 1901 31.003 26.031 27.681 1.00 0.00 WT1 H ATOM 8530 OH2 TIP3 1902 38.696 34.861 -12.069 1.00 0.00 WT1 O ATOM 8531 H1 TIP3 1902 39.568 35.241 -12.180 1.00 0.00 WT1 H ATOM 8532 H2 TIP3 1902 38.388 34.702 -12.961 1.00 0.00 WT1 H ATOM 8533 OH2 TIP3 1903 47.563 80.004 30.630 1.00 0.00 WT1 O ATOM 8534 H1 TIP3 1903 47.331 79.407 29.919 1.00 0.00 WT1 H ATOM 8535 H2 TIP3 1903 47.190 79.601 31.414 1.00 0.00 WT1 H ATOM 8536 OH2 TIP3 1904 67.127 86.754 38.738 1.00 0.00 WT1 O ATOM 8537 H1 TIP3 1904 66.182 86.666 38.619 1.00 0.00 WT1 H ATOM 8538 H2 TIP3 1904 67.504 86.077 38.176 1.00 0.00 WT1 H ATOM 8539 OH2 TIP3 1905 59.263 68.282 -7.871 1.00 0.00 WT1 O ATOM 8540 H1 TIP3 1905 59.270 68.778 -7.052 1.00 0.00 WT1 H ATOM 8541 H2 TIP3 1905 59.325 68.948 -8.555 1.00 0.00 WT1 H ATOM 8542 OH2 TIP3 1906 62.745 74.499 21.246 1.00 0.00 WT1 O ATOM 8543 H1 TIP3 1906 61.953 74.032 20.980 1.00 0.00 WT1 H ATOM 8544 H2 TIP3 1906 63.263 73.845 21.715 1.00 0.00 WT1 H ATOM 8545 OH2 TIP3 1907 38.333 15.489 43.011 1.00 0.00 WT1 O ATOM 8546 H1 TIP3 1907 37.987 14.706 42.583 1.00 0.00 WT1 H ATOM 8547 H2 TIP3 1907 37.667 16.159 42.860 1.00 0.00 WT1 H ATOM 8548 OH2 TIP3 1908 45.123 19.978 29.389 1.00 0.00 WT1 O ATOM 8549 H1 TIP3 1908 44.503 19.941 28.661 1.00 0.00 WT1 H ATOM 8550 H2 TIP3 1908 45.671 19.201 29.277 1.00 0.00 WT1 H ATOM 8551 OH2 TIP3 1909 74.037 95.322 58.543 1.00 0.00 WT1 O ATOM 8552 H1 TIP3 1909 73.514 96.070 58.830 1.00 0.00 WT1 H ATOM 8553 H2 TIP3 1909 73.831 95.228 57.613 1.00 0.00 WT1 H ATOM 8554 OH2 TIP3 1910 81.749 64.285 37.968 1.00 0.00 WT1 O ATOM 8555 H1 TIP3 1910 82.658 64.576 38.032 1.00 0.00 WT1 H ATOM 8556 H2 TIP3 1910 81.241 65.095 37.922 1.00 0.00 WT1 H ATOM 8557 OH2 TIP3 1911 32.201 24.119 16.837 1.00 0.00 WT1 O ATOM 8558 H1 TIP3 1911 31.627 23.516 17.310 1.00 0.00 WT1 H ATOM 8559 H2 TIP3 1911 32.083 23.888 15.915 1.00 0.00 WT1 H ATOM 8560 OH2 TIP3 1912 59.784 53.239 61.963 1.00 0.00 WT1 O ATOM 8561 H1 TIP3 1912 60.458 53.194 62.641 1.00 0.00 WT1 H ATOM 8562 H2 TIP3 1912 58.963 53.083 62.429 1.00 0.00 WT1 H ATOM 8563 OH2 TIP3 1913 66.489 32.256 52.531 1.00 0.00 WT1 O ATOM 8564 H1 TIP3 1913 67.428 32.080 52.468 1.00 0.00 WT1 H ATOM 8565 H2 TIP3 1913 66.432 33.090 52.997 1.00 0.00 WT1 H ATOM 8566 OH2 TIP3 1914 80.172 85.085 10.561 1.00 0.00 WT1 O ATOM 8567 H1 TIP3 1914 80.936 85.401 10.079 1.00 0.00 WT1 H ATOM 8568 H2 TIP3 1914 80.089 85.687 11.301 1.00 0.00 WT1 H ATOM 8569 OH2 TIP3 1915 41.356 74.867 24.889 1.00 0.00 WT1 O ATOM 8570 H1 TIP3 1915 41.818 74.381 25.573 1.00 0.00 WT1 H ATOM 8571 H2 TIP3 1915 41.669 74.484 24.070 1.00 0.00 WT1 H ATOM 8572 OH2 TIP3 1916 88.261 59.860 47.690 1.00 0.00 WT1 O ATOM 8573 H1 TIP3 1916 88.152 58.923 47.853 1.00 0.00 WT1 H ATOM 8574 H2 TIP3 1916 88.341 60.247 48.562 1.00 0.00 WT1 H ATOM 8575 OH2 TIP3 1917 24.694 78.468 -13.213 1.00 0.00 WT1 O ATOM 8576 H1 TIP3 1917 24.595 77.774 -12.562 1.00 0.00 WT1 H ATOM 8577 H2 TIP3 1917 25.344 78.129 -13.829 1.00 0.00 WT1 H ATOM 8578 OH2 TIP3 1918 24.949 18.031 52.150 1.00 0.00 WT1 O ATOM 8579 H1 TIP3 1918 24.074 17.843 51.810 1.00 0.00 WT1 H ATOM 8580 H2 TIP3 1918 25.433 17.214 52.032 1.00 0.00 WT1 H ATOM 8581 OH2 TIP3 1919 37.657 42.214 13.318 1.00 0.00 WT1 O ATOM 8582 H1 TIP3 1919 38.108 43.057 13.371 1.00 0.00 WT1 H ATOM 8583 H2 TIP3 1919 38.248 41.598 13.753 1.00 0.00 WT1 H ATOM 8584 OH2 TIP3 1920 78.209 49.664 34.929 1.00 0.00 WT1 O ATOM 8585 H1 TIP3 1920 77.389 49.235 35.174 1.00 0.00 WT1 H ATOM 8586 H2 TIP3 1920 78.114 50.562 35.247 1.00 0.00 WT1 H ATOM 8587 OH2 TIP3 1921 22.867 51.352 4.478 1.00 0.00 WT1 O ATOM 8588 H1 TIP3 1921 22.582 52.181 4.864 1.00 0.00 WT1 H ATOM 8589 H2 TIP3 1921 22.499 51.360 3.594 1.00 0.00 WT1 H ATOM 8590 OH2 TIP3 1922 89.711 68.072 27.271 1.00 0.00 WT1 O ATOM 8591 H1 TIP3 1922 88.850 68.469 27.401 1.00 0.00 WT1 H ATOM 8592 H2 TIP3 1922 89.878 67.589 28.080 1.00 0.00 WT1 H ATOM 8593 OH2 TIP3 1923 66.365 27.919 -10.733 1.00 0.00 WT1 O ATOM 8594 H1 TIP3 1923 67.237 27.615 -10.483 1.00 0.00 WT1 H ATOM 8595 H2 TIP3 1923 66.296 28.792 -10.348 1.00 0.00 WT1 H ATOM 8596 OH2 TIP3 1924 44.857 38.806 10.397 1.00 0.00 WT1 O ATOM 8597 H1 TIP3 1924 45.516 39.497 10.468 1.00 0.00 WT1 H ATOM 8598 H2 TIP3 1924 44.887 38.357 11.242 1.00 0.00 WT1 H ATOM 8599 OH2 TIP3 1925 85.470 67.738 55.764 1.00 0.00 WT1 O ATOM 8600 H1 TIP3 1925 84.823 67.069 55.538 1.00 0.00 WT1 H ATOM 8601 H2 TIP3 1925 86.282 67.432 55.361 1.00 0.00 WT1 H ATOM 8602 OH2 TIP3 1926 86.540 87.873 11.689 1.00 0.00 WT1 O ATOM 8603 H1 TIP3 1926 86.541 87.136 12.300 1.00 0.00 WT1 H ATOM 8604 H2 TIP3 1926 87.393 88.289 11.814 1.00 0.00 WT1 H ATOM 8605 OH2 TIP3 1927 49.785 40.528 54.951 1.00 0.00 WT1 O ATOM 8606 H1 TIP3 1927 50.265 40.664 54.133 1.00 0.00 WT1 H ATOM 8607 H2 TIP3 1927 49.225 41.300 55.031 1.00 0.00 WT1 H ATOM 8608 OH2 TIP3 1928 47.254 7.712 -15.919 1.00 0.00 WT1 O ATOM 8609 H1 TIP3 1928 46.790 8.448 -16.318 1.00 0.00 WT1 H ATOM 8610 H2 TIP3 1928 47.634 8.074 -15.118 1.00 0.00 WT1 H ATOM 8611 OH2 TIP3 1929 37.348 41.316 2.322 1.00 0.00 WT1 O ATOM 8612 H1 TIP3 1929 36.713 41.662 1.695 1.00 0.00 WT1 H ATOM 8613 H2 TIP3 1929 37.411 40.385 2.112 1.00 0.00 WT1 H ATOM 8614 OH2 TIP3 1930 57.390 11.479 47.115 1.00 0.00 WT1 O ATOM 8615 H1 TIP3 1930 57.290 11.426 48.065 1.00 0.00 WT1 H ATOM 8616 H2 TIP3 1930 58.301 11.743 46.983 1.00 0.00 WT1 H ATOM 8617 OH2 TIP3 1931 42.181 38.995 11.901 1.00 0.00 WT1 O ATOM 8618 H1 TIP3 1931 41.832 39.571 12.582 1.00 0.00 WT1 H ATOM 8619 H2 TIP3 1931 43.129 39.021 12.028 1.00 0.00 WT1 H ATOM 8620 OH2 TIP3 1932 38.303 63.246 -9.924 1.00 0.00 WT1 O ATOM 8621 H1 TIP3 1932 37.453 62.835 -10.080 1.00 0.00 WT1 H ATOM 8622 H2 TIP3 1932 38.296 63.466 -8.992 1.00 0.00 WT1 H ATOM 8623 OH2 TIP3 1934 90.004 25.556 21.646 1.00 0.00 WT1 O ATOM 8624 H1 TIP3 1934 89.067 25.383 21.736 1.00 0.00 WT1 H ATOM 8625 H2 TIP3 1934 90.136 25.674 20.705 1.00 0.00 WT1 H ATOM 8626 OH2 TIP3 1935 27.491 45.099 -7.238 1.00 0.00 WT1 O ATOM 8627 H1 TIP3 1935 27.047 44.714 -6.483 1.00 0.00 WT1 H ATOM 8628 H2 TIP3 1935 28.089 45.745 -6.861 1.00 0.00 WT1 H ATOM 8629 OH2 TIP3 1936 75.032 47.384 19.309 1.00 0.00 WT1 O ATOM 8630 H1 TIP3 1936 74.612 46.746 18.732 1.00 0.00 WT1 H ATOM 8631 H2 TIP3 1936 75.882 47.552 18.904 1.00 0.00 WT1 H ATOM 8632 OH2 TIP3 1937 61.141 26.932 32.254 1.00 0.00 WT1 O ATOM 8633 H1 TIP3 1937 61.843 26.766 31.626 1.00 0.00 WT1 H ATOM 8634 H2 TIP3 1937 60.341 26.686 31.791 1.00 0.00 WT1 H ATOM 8635 OH2 TIP3 1938 64.963 94.589 10.876 1.00 0.00 WT1 O ATOM 8636 H1 TIP3 1938 64.335 94.695 11.590 1.00 0.00 WT1 H ATOM 8637 H2 TIP3 1938 64.990 93.645 10.718 1.00 0.00 WT1 H ATOM 8638 OH2 TIP3 1939 28.043 49.825 -3.145 1.00 0.00 WT1 O ATOM 8639 H1 TIP3 1939 27.812 48.941 -3.427 1.00 0.00 WT1 H ATOM 8640 H2 TIP3 1939 27.351 50.380 -3.503 1.00 0.00 WT1 H ATOM 8641 OH2 TIP3 1940 22.733 88.874 -4.020 1.00 0.00 WT1 O ATOM 8642 H1 TIP3 1940 23.449 88.817 -4.654 1.00 0.00 WT1 H ATOM 8643 H2 TIP3 1940 23.161 88.797 -3.167 1.00 0.00 WT1 H ATOM 8644 OH2 TIP3 1941 48.084 92.696 23.799 1.00 0.00 WT1 O ATOM 8645 H1 TIP3 1941 47.370 92.077 23.645 1.00 0.00 WT1 H ATOM 8646 H2 TIP3 1941 47.720 93.547 23.557 1.00 0.00 WT1 H ATOM 8647 OH2 TIP3 1942 49.598 40.122 23.241 1.00 0.00 WT1 O ATOM 8648 H1 TIP3 1942 48.822 40.620 22.987 1.00 0.00 WT1 H ATOM 8649 H2 TIP3 1942 50.333 40.699 23.031 1.00 0.00 WT1 H ATOM 8650 OH2 TIP3 1943 59.693 19.534 15.965 1.00 0.00 WT1 O ATOM 8651 H1 TIP3 1943 60.283 20.278 15.846 1.00 0.00 WT1 H ATOM 8652 H2 TIP3 1943 58.945 19.729 15.399 1.00 0.00 WT1 H ATOM 8653 OH2 TIP3 1944 86.459 80.941 42.493 1.00 0.00 WT1 O ATOM 8654 H1 TIP3 1944 86.158 81.313 41.663 1.00 0.00 WT1 H ATOM 8655 H2 TIP3 1944 85.926 80.154 42.610 1.00 0.00 WT1 H ATOM 8656 OH2 TIP3 1945 30.801 65.307 54.194 1.00 0.00 WT1 O ATOM 8657 H1 TIP3 1945 30.901 64.740 53.429 1.00 0.00 WT1 H ATOM 8658 H2 TIP3 1945 30.973 66.188 53.863 1.00 0.00 WT1 H ATOM 8659 OH2 TIP3 1946 86.255 49.365 29.799 1.00 0.00 WT1 O ATOM 8660 H1 TIP3 1946 86.735 49.905 29.171 1.00 0.00 WT1 H ATOM 8661 H2 TIP3 1946 85.392 49.244 29.401 1.00 0.00 WT1 H ATOM 8662 OH2 TIP3 1947 33.774 70.909 14.123 1.00 0.00 WT1 O ATOM 8663 H1 TIP3 1947 33.656 70.468 13.282 1.00 0.00 WT1 H ATOM 8664 H2 TIP3 1947 33.235 70.406 14.734 1.00 0.00 WT1 H ATOM 8665 OH2 TIP3 1948 58.225 20.789 42.324 1.00 0.00 WT1 O ATOM 8666 H1 TIP3 1948 58.479 20.380 41.497 1.00 0.00 WT1 H ATOM 8667 H2 TIP3 1948 58.470 21.709 42.223 1.00 0.00 WT1 H ATOM 8668 OH2 TIP3 1949 49.326 75.323 50.830 1.00 0.00 WT1 O ATOM 8669 H1 TIP3 1949 49.092 74.428 51.077 1.00 0.00 WT1 H ATOM 8670 H2 TIP3 1949 49.878 75.221 50.055 1.00 0.00 WT1 H ATOM 8671 OH2 TIP3 1950 39.657 28.318 1.881 1.00 0.00 WT1 O ATOM 8672 H1 TIP3 1950 40.510 28.752 1.870 1.00 0.00 WT1 H ATOM 8673 H2 TIP3 1950 39.261 28.547 1.039 1.00 0.00 WT1 H ATOM 8674 OH2 TIP3 1951 57.292 15.631 45.814 1.00 0.00 WT1 O ATOM 8675 H1 TIP3 1951 56.981 15.044 45.125 1.00 0.00 WT1 H ATOM 8676 H2 TIP3 1951 58.243 15.520 45.814 1.00 0.00 WT1 H ATOM 8677 OH2 TIP3 1952 64.291 27.889 4.092 1.00 0.00 WT1 O ATOM 8678 H1 TIP3 1952 64.390 27.333 4.866 1.00 0.00 WT1 H ATOM 8679 H2 TIP3 1952 63.346 28.011 4.004 1.00 0.00 WT1 H ATOM 8680 OH2 TIP3 1953 31.475 33.548 38.854 1.00 0.00 WT1 O ATOM 8681 H1 TIP3 1953 32.006 34.326 38.685 1.00 0.00 WT1 H ATOM 8682 H2 TIP3 1953 30.735 33.869 39.370 1.00 0.00 WT1 H ATOM 8683 OH2 TIP3 1954 78.358 39.639 65.570 1.00 0.00 WT1 O ATOM 8684 H1 TIP3 1954 78.799 39.224 64.828 1.00 0.00 WT1 H ATOM 8685 H2 TIP3 1954 77.472 39.817 65.254 1.00 0.00 WT1 H ATOM 8686 OH2 TIP3 1955 86.308 43.066 10.904 1.00 0.00 WT1 O ATOM 8687 H1 TIP3 1955 86.499 43.896 10.466 1.00 0.00 WT1 H ATOM 8688 H2 TIP3 1955 86.486 43.237 11.829 1.00 0.00 WT1 H ATOM 8689 OH2 TIP3 1956 67.720 7.364 51.033 1.00 0.00 WT1 O ATOM 8690 H1 TIP3 1956 68.319 6.821 50.520 1.00 0.00 WT1 H ATOM 8691 H2 TIP3 1956 66.981 7.527 50.447 1.00 0.00 WT1 H ATOM 8692 OH2 TIP3 1957 41.987 38.627 21.899 1.00 0.00 WT1 O ATOM 8693 H1 TIP3 1957 42.584 39.209 22.370 1.00 0.00 WT1 H ATOM 8694 H2 TIP3 1957 41.996 37.814 22.405 1.00 0.00 WT1 H ATOM 8695 OH2 TIP3 1958 40.969 44.128 37.816 1.00 0.00 WT1 O ATOM 8696 H1 TIP3 1958 41.853 43.994 38.158 1.00 0.00 WT1 H ATOM 8697 H2 TIP3 1958 40.677 44.946 38.217 1.00 0.00 WT1 H ATOM 8698 OH2 TIP3 1959 66.241 82.351 21.531 1.00 0.00 WT1 O ATOM 8699 H1 TIP3 1959 66.276 82.867 20.725 1.00 0.00 WT1 H ATOM 8700 H2 TIP3 1959 65.561 81.697 21.368 1.00 0.00 WT1 H ATOM 8701 OH2 TIP3 1960 58.269 21.687 -9.720 1.00 0.00 WT1 O ATOM 8702 H1 TIP3 1960 58.094 22.331 -10.406 1.00 0.00 WT1 H ATOM 8703 H2 TIP3 1960 57.412 21.513 -9.331 1.00 0.00 WT1 H ATOM 8704 OH2 TIP3 1961 62.894 81.511 -6.198 1.00 0.00 WT1 O ATOM 8705 H1 TIP3 1961 63.559 81.546 -6.885 1.00 0.00 WT1 H ATOM 8706 H2 TIP3 1961 63.173 82.167 -5.559 1.00 0.00 WT1 H ATOM 8707 OH2 TIP3 1962 36.766 67.384 0.052 1.00 0.00 WT1 O ATOM 8708 H1 TIP3 1962 37.322 66.608 -0.027 1.00 0.00 WT1 H ATOM 8709 H2 TIP3 1962 36.378 67.313 0.924 1.00 0.00 WT1 H ATOM 8710 OH2 TIP3 1964 55.271 46.117 19.999 1.00 0.00 WT1 O ATOM 8711 H1 TIP3 1964 54.560 46.474 19.467 1.00 0.00 WT1 H ATOM 8712 H2 TIP3 1964 55.837 45.668 19.371 1.00 0.00 WT1 H ATOM 8713 OH2 TIP3 1965 24.124 72.674 -7.600 1.00 0.00 WT1 O ATOM 8714 H1 TIP3 1965 23.992 73.545 -7.974 1.00 0.00 WT1 H ATOM 8715 H2 TIP3 1965 24.046 72.805 -6.655 1.00 0.00 WT1 H ATOM 8716 OH2 TIP3 1966 57.416 17.612 9.646 1.00 0.00 WT1 O ATOM 8717 H1 TIP3 1966 56.681 17.003 9.573 1.00 0.00 WT1 H ATOM 8718 H2 TIP3 1966 58.019 17.344 8.952 1.00 0.00 WT1 H ATOM 8719 OH2 TIP3 1967 34.996 76.236 36.657 1.00 0.00 WT1 O ATOM 8720 H1 TIP3 1967 34.771 77.163 36.731 1.00 0.00 WT1 H ATOM 8721 H2 TIP3 1967 35.833 76.228 36.193 1.00 0.00 WT1 H ATOM 8722 OH2 TIP3 1968 76.702 9.703 -16.547 1.00 0.00 WT1 O ATOM 8723 H1 TIP3 1968 77.274 8.974 -16.785 1.00 0.00 WT1 H ATOM 8724 H2 TIP3 1968 75.952 9.290 -16.117 1.00 0.00 WT1 H ATOM 8725 OH2 TIP3 1969 41.468 11.436 59.546 1.00 0.00 WT1 O ATOM 8726 H1 TIP3 1969 41.242 11.765 58.676 1.00 0.00 WT1 H ATOM 8727 H2 TIP3 1969 40.733 11.699 60.100 1.00 0.00 WT1 H ATOM 8728 OH2 TIP3 1971 86.989 72.021 58.435 1.00 0.00 WT1 O ATOM 8729 H1 TIP3 1971 87.571 72.084 57.677 1.00 0.00 WT1 H ATOM 8730 H2 TIP3 1971 87.263 72.738 59.007 1.00 0.00 WT1 H ATOM 8731 OH2 TIP3 1973 40.553 11.500 -8.072 1.00 0.00 WT1 O ATOM 8732 H1 TIP3 1973 40.758 11.758 -8.971 1.00 0.00 WT1 H ATOM 8733 H2 TIP3 1973 41.202 10.829 -7.860 1.00 0.00 WT1 H ATOM 8734 OH2 TIP3 1974 28.877 88.827 21.337 1.00 0.00 WT1 O ATOM 8735 H1 TIP3 1974 28.921 89.362 22.130 1.00 0.00 WT1 H ATOM 8736 H2 TIP3 1974 29.548 88.156 21.463 1.00 0.00 WT1 H ATOM 8737 OH2 TIP3 1975 51.987 56.591 52.555 1.00 0.00 WT1 O ATOM 8738 H1 TIP3 1975 51.061 56.828 52.605 1.00 0.00 WT1 H ATOM 8739 H2 TIP3 1975 52.187 56.601 51.619 1.00 0.00 WT1 H ATOM 8740 OH2 TIP3 1976 83.934 43.003 54.803 1.00 0.00 WT1 O ATOM 8741 H1 TIP3 1976 83.407 42.205 54.855 1.00 0.00 WT1 H ATOM 8742 H2 TIP3 1976 83.338 43.702 55.071 1.00 0.00 WT1 H ATOM 8743 OH2 TIP3 1977 37.495 84.452 45.898 1.00 0.00 WT1 O ATOM 8744 H1 TIP3 1977 37.398 85.203 45.313 1.00 0.00 WT1 H ATOM 8745 H2 TIP3 1977 38.065 83.848 45.421 1.00 0.00 WT1 H ATOM 8746 OH2 TIP3 1978 45.224 19.950 59.451 1.00 0.00 WT1 O ATOM 8747 H1 TIP3 1978 45.649 20.801 59.343 1.00 0.00 WT1 H ATOM 8748 H2 TIP3 1978 45.315 19.753 60.383 1.00 0.00 WT1 H ATOM 8749 OH2 TIP3 1979 88.800 82.177 20.220 1.00 0.00 WT1 O ATOM 8750 H1 TIP3 1979 88.501 82.726 20.946 1.00 0.00 WT1 H ATOM 8751 H2 TIP3 1979 88.297 81.367 20.311 1.00 0.00 WT1 H ATOM 8752 OH2 TIP3 1980 36.138 50.209 34.441 1.00 0.00 WT1 O ATOM 8753 H1 TIP3 1980 36.237 50.822 33.712 1.00 0.00 WT1 H ATOM 8754 H2 TIP3 1980 35.477 50.612 35.004 1.00 0.00 WT1 H ATOM 8755 OH2 TIP3 1981 28.637 43.795 42.447 1.00 0.00 WT1 O ATOM 8756 H1 TIP3 1981 28.756 43.908 43.390 1.00 0.00 WT1 H ATOM 8757 H2 TIP3 1981 28.375 42.879 42.347 1.00 0.00 WT1 H ATOM 8758 OH2 TIP3 1982 50.761 92.765 48.343 1.00 0.00 WT1 O ATOM 8759 H1 TIP3 1982 50.944 93.450 47.701 1.00 0.00 WT1 H ATOM 8760 H2 TIP3 1982 51.046 91.956 47.919 1.00 0.00 WT1 H ATOM 8761 OH2 TIP3 1983 76.159 33.059 48.768 1.00 0.00 WT1 O ATOM 8762 H1 TIP3 1983 76.907 32.887 48.196 1.00 0.00 WT1 H ATOM 8763 H2 TIP3 1983 75.402 33.052 48.182 1.00 0.00 WT1 H ATOM 8764 OH2 TIP3 1984 27.883 53.353 62.498 1.00 0.00 WT1 O ATOM 8765 H1 TIP3 1984 27.900 54.155 63.019 1.00 0.00 WT1 H ATOM 8766 H2 TIP3 1984 27.009 53.338 62.107 1.00 0.00 WT1 H ATOM 8767 OH2 TIP3 1986 32.288 45.844 8.098 1.00 0.00 WT1 O ATOM 8768 H1 TIP3 1986 32.113 45.843 9.039 1.00 0.00 WT1 H ATOM 8769 H2 TIP3 1986 33.199 45.562 8.023 1.00 0.00 WT1 H ATOM 8770 OH2 TIP3 1987 54.267 78.056 17.692 1.00 0.00 WT1 O ATOM 8771 H1 TIP3 1987 54.644 77.267 18.082 1.00 0.00 WT1 H ATOM 8772 H2 TIP3 1987 54.531 78.019 16.773 1.00 0.00 WT1 H ATOM 8773 OH2 TIP3 1989 87.338 43.732 16.766 1.00 0.00 WT1 O ATOM 8774 H1 TIP3 1989 87.449 43.455 17.675 1.00 0.00 WT1 H ATOM 8775 H2 TIP3 1989 86.691 43.124 16.408 1.00 0.00 WT1 H ATOM 8776 OH2 TIP3 1990 68.740 47.542 32.466 1.00 0.00 WT1 O ATOM 8777 H1 TIP3 1990 68.252 47.016 31.831 1.00 0.00 WT1 H ATOM 8778 H2 TIP3 1990 68.067 47.909 33.040 1.00 0.00 WT1 H ATOM 8779 OH2 TIP3 1991 35.988 30.052 59.606 1.00 0.00 WT1 O ATOM 8780 H1 TIP3 1991 36.453 29.277 59.291 1.00 0.00 WT1 H ATOM 8781 H2 TIP3 1991 36.307 30.177 60.500 1.00 0.00 WT1 H ATOM 8782 OH2 TIP3 1992 40.473 89.195 4.584 1.00 0.00 WT1 O ATOM 8783 H1 TIP3 1992 39.516 89.217 4.599 1.00 0.00 WT1 H ATOM 8784 H2 TIP3 1992 40.707 88.494 5.192 1.00 0.00 WT1 H ATOM 8785 OH2 TIP3 1993 35.086 18.251 17.139 1.00 0.00 WT1 O ATOM 8786 H1 TIP3 1993 35.645 18.777 16.568 1.00 0.00 WT1 H ATOM 8787 H2 TIP3 1993 34.520 18.888 17.575 1.00 0.00 WT1 H ATOM 8788 OH2 TIP3 1994 76.978 39.385 32.399 1.00 0.00 WT1 O ATOM 8789 H1 TIP3 1994 77.400 39.941 31.744 1.00 0.00 WT1 H ATOM 8790 H2 TIP3 1994 76.798 39.973 33.132 1.00 0.00 WT1 H ATOM 8791 OH2 TIP3 1995 73.338 79.977 33.245 1.00 0.00 WT1 O ATOM 8792 H1 TIP3 1995 74.274 79.894 33.062 1.00 0.00 WT1 H ATOM 8793 H2 TIP3 1995 73.097 79.141 33.645 1.00 0.00 WT1 H ATOM 8794 OH2 TIP3 1996 63.210 33.277 27.783 1.00 0.00 WT1 O ATOM 8795 H1 TIP3 1996 63.379 32.937 26.905 1.00 0.00 WT1 H ATOM 8796 H2 TIP3 1996 62.504 33.913 27.662 1.00 0.00 WT1 H ATOM 8797 OH2 TIP3 1997 61.186 40.507 -14.348 1.00 0.00 WT1 O ATOM 8798 H1 TIP3 1997 60.379 40.054 -14.102 1.00 0.00 WT1 H ATOM 8799 H2 TIP3 1997 61.022 40.823 -15.237 1.00 0.00 WT1 H ATOM 8800 OH2 TIP3 1998 60.942 64.110 56.186 1.00 0.00 WT1 O ATOM 8801 H1 TIP3 1998 60.146 63.616 55.993 1.00 0.00 WT1 H ATOM 8802 H2 TIP3 1998 61.247 63.757 57.022 1.00 0.00 WT1 H ATOM 8803 OH2 TIP3 1999 83.241 46.317 18.630 1.00 0.00 WT1 O ATOM 8804 H1 TIP3 1999 82.984 46.832 19.395 1.00 0.00 WT1 H ATOM 8805 H2 TIP3 1999 84.191 46.424 18.576 1.00 0.00 WT1 H ATOM 8806 OH2 TIP3 2000 25.166 40.974 12.216 1.00 0.00 WT1 O ATOM 8807 H1 TIP3 2000 25.630 40.921 13.051 1.00 0.00 WT1 H ATOM 8808 H2 TIP3 2000 24.683 41.800 12.262 1.00 0.00 WT1 H ATOM 8809 OH2 TIP3 2001 38.138 58.382 0.178 1.00 0.00 WT1 O ATOM 8810 H1 TIP3 2001 38.344 58.027 1.043 1.00 0.00 WT1 H ATOM 8811 H2 TIP3 2001 38.246 59.328 0.275 1.00 0.00 WT1 H ATOM 8812 OH2 TIP3 2002 37.267 37.581 -16.756 1.00 0.00 WT1 O ATOM 8813 H1 TIP3 2002 37.253 36.749 -17.229 1.00 0.00 WT1 H ATOM 8814 H2 TIP3 2002 38.197 37.785 -16.656 1.00 0.00 WT1 H ATOM 8815 OH2 TIP3 2003 30.960 63.166 9.488 1.00 0.00 WT1 O ATOM 8816 H1 TIP3 2003 30.125 63.078 9.947 1.00 0.00 WT1 H ATOM 8817 H2 TIP3 2003 31.474 62.413 9.777 1.00 0.00 WT1 H ATOM 8818 OH2 TIP3 2004 27.587 29.074 12.776 1.00 0.00 WT1 O ATOM 8819 H1 TIP3 2004 28.518 29.280 12.867 1.00 0.00 WT1 H ATOM 8820 H2 TIP3 2004 27.571 28.175 12.450 1.00 0.00 WT1 H ATOM 8821 OH2 TIP3 2005 67.943 75.631 -8.674 1.00 0.00 WT1 O ATOM 8822 H1 TIP3 2005 68.803 75.937 -8.385 1.00 0.00 WT1 H ATOM 8823 H2 TIP3 2005 67.975 75.692 -9.629 1.00 0.00 WT1 H ATOM 8824 OH2 TIP3 2006 31.675 43.950 20.873 1.00 0.00 WT1 O ATOM 8825 H1 TIP3 2006 31.030 44.258 20.236 1.00 0.00 WT1 H ATOM 8826 H2 TIP3 2006 32.411 44.554 20.782 1.00 0.00 WT1 H ATOM 8827 OH2 TIP3 2008 60.609 1.421 60.509 1.00 0.00 WT1 O ATOM 8828 H1 TIP3 2008 61.223 0.781 60.150 1.00 0.00 WT1 H ATOM 8829 H2 TIP3 2008 59.956 0.894 60.970 1.00 0.00 WT1 H ATOM 8830 OH2 TIP3 2010 47.859 42.774 55.536 1.00 0.00 WT1 O ATOM 8831 H1 TIP3 2010 47.350 41.984 55.719 1.00 0.00 WT1 H ATOM 8832 H2 TIP3 2010 47.870 43.251 56.366 1.00 0.00 WT1 H ATOM 8833 OH2 TIP3 2013 45.363 14.948 43.263 1.00 0.00 WT1 O ATOM 8834 H1 TIP3 2013 44.484 14.819 43.619 1.00 0.00 WT1 H ATOM 8835 H2 TIP3 2013 45.679 14.063 43.076 1.00 0.00 WT1 H ATOM 8836 OH2 TIP3 2014 84.990 61.451 1.529 1.00 0.00 WT1 O ATOM 8837 H1 TIP3 2014 84.653 61.016 2.312 1.00 0.00 WT1 H ATOM 8838 H2 TIP3 2014 85.919 61.223 1.509 1.00 0.00 WT1 H ATOM 8839 OH2 TIP3 2015 86.228 30.386 13.042 1.00 0.00 WT1 O ATOM 8840 H1 TIP3 2015 86.088 29.645 13.631 1.00 0.00 WT1 H ATOM 8841 H2 TIP3 2015 86.015 30.046 12.173 1.00 0.00 WT1 H ATOM 8842 OH2 TIP3 2016 60.062 52.656 33.664 1.00 0.00 WT1 O ATOM 8843 H1 TIP3 2016 59.418 52.558 32.964 1.00 0.00 WT1 H ATOM 8844 H2 TIP3 2016 59.669 53.289 34.265 1.00 0.00 WT1 H ATOM 8845 OH2 TIP3 2017 63.415 86.568 14.997 1.00 0.00 WT1 O ATOM 8846 H1 TIP3 2017 63.929 85.934 15.497 1.00 0.00 WT1 H ATOM 8847 H2 TIP3 2017 63.258 86.139 14.156 1.00 0.00 WT1 H ATOM 8848 OH2 TIP3 2018 29.844 66.787 -9.450 1.00 0.00 WT1 O ATOM 8849 H1 TIP3 2018 29.508 66.163 -10.093 1.00 0.00 WT1 H ATOM 8850 H2 TIP3 2018 29.677 66.372 -8.604 1.00 0.00 WT1 H ATOM 8851 OH2 TIP3 2019 26.938 87.714 -0.042 1.00 0.00 WT1 O ATOM 8852 H1 TIP3 2019 27.005 88.378 0.644 1.00 0.00 WT1 H ATOM 8853 H2 TIP3 2019 27.307 86.924 0.351 1.00 0.00 WT1 H ATOM 8854 OH2 TIP3 2020 67.909 38.752 44.752 1.00 0.00 WT1 O ATOM 8855 H1 TIP3 2020 67.025 38.964 44.452 1.00 0.00 WT1 H ATOM 8856 H2 TIP3 2020 68.318 39.602 44.913 1.00 0.00 WT1 H ATOM 8857 OH2 TIP3 2021 26.099 53.813 0.286 1.00 0.00 WT1 O ATOM 8858 H1 TIP3 2021 26.811 53.175 0.331 1.00 0.00 WT1 H ATOM 8859 H2 TIP3 2021 25.680 53.766 1.146 1.00 0.00 WT1 H ATOM 8860 OH2 TIP3 2022 84.413 25.843 8.351 1.00 0.00 WT1 O ATOM 8861 H1 TIP3 2022 83.624 26.149 7.903 1.00 0.00 WT1 H ATOM 8862 H2 TIP3 2022 85.129 26.071 7.758 1.00 0.00 WT1 H ATOM 8863 OH2 TIP3 2023 49.795 72.862 -0.073 1.00 0.00 WT1 O ATOM 8864 H1 TIP3 2023 49.699 73.772 0.206 1.00 0.00 WT1 H ATOM 8865 H2 TIP3 2023 50.734 72.688 -0.007 1.00 0.00 WT1 H ATOM 8866 OH2 TIP3 2024 44.396 56.975 14.313 1.00 0.00 WT1 O ATOM 8867 H1 TIP3 2024 44.612 56.735 15.214 1.00 0.00 WT1 H ATOM 8868 H2 TIP3 2024 44.617 57.904 14.253 1.00 0.00 WT1 H ATOM 8869 OH2 TIP3 2025 84.195 63.635 26.461 1.00 0.00 WT1 O ATOM 8870 H1 TIP3 2025 83.723 62.811 26.585 1.00 0.00 WT1 H ATOM 8871 H2 TIP3 2025 84.393 63.660 25.525 1.00 0.00 WT1 H ATOM 8872 OH2 TIP3 2030 67.200 59.148 56.092 1.00 0.00 WT1 O ATOM 8873 H1 TIP3 2030 67.811 59.625 56.654 1.00 0.00 WT1 H ATOM 8874 H2 TIP3 2030 66.660 59.829 55.692 1.00 0.00 WT1 H ATOM 8875 OH2 TIP3 2032 37.589 91.940 -14.250 1.00 0.00 WT1 O ATOM 8876 H1 TIP3 2032 37.531 92.110 -15.191 1.00 0.00 WT1 H ATOM 8877 H2 TIP3 2032 36.896 92.479 -13.867 1.00 0.00 WT1 H ATOM 8878 OH2 TIP3 2033 55.620 56.252 61.378 1.00 0.00 WT1 O ATOM 8879 H1 TIP3 2033 56.075 55.757 60.696 1.00 0.00 WT1 H ATOM 8880 H2 TIP3 2033 54.905 56.692 60.919 1.00 0.00 WT1 H ATOM 8881 OH2 TIP3 2035 54.310 28.177 5.270 1.00 0.00 WT1 O ATOM 8882 H1 TIP3 2035 54.788 28.816 4.742 1.00 0.00 WT1 H ATOM 8883 H2 TIP3 2035 54.796 28.133 6.093 1.00 0.00 WT1 H ATOM 8884 OH2 TIP3 2036 62.740 69.656 48.446 1.00 0.00 WT1 O ATOM 8885 H1 TIP3 2036 62.627 69.071 47.697 1.00 0.00 WT1 H ATOM 8886 H2 TIP3 2036 63.306 69.171 49.047 1.00 0.00 WT1 H ATOM 8887 OH2 TIP3 2037 32.615 16.765 8.389 1.00 0.00 WT1 O ATOM 8888 H1 TIP3 2037 32.682 17.105 9.281 1.00 0.00 WT1 H ATOM 8889 H2 TIP3 2037 33.228 17.298 7.883 1.00 0.00 WT1 H ATOM 8890 OH2 TIP3 2038 41.100 57.619 -12.258 1.00 0.00 WT1 O ATOM 8891 H1 TIP3 2038 41.470 57.114 -11.534 1.00 0.00 WT1 H ATOM 8892 H2 TIP3 2038 40.808 58.437 -11.856 1.00 0.00 WT1 H ATOM 8893 OH2 TIP3 2040 27.786 38.625 60.552 1.00 0.00 WT1 O ATOM 8894 H1 TIP3 2040 27.760 39.423 61.081 1.00 0.00 WT1 H ATOM 8895 H2 TIP3 2040 28.299 38.865 59.781 1.00 0.00 WT1 H ATOM 8896 OH2 TIP3 2041 37.518 60.444 39.579 1.00 0.00 WT1 O ATOM 8897 H1 TIP3 2041 38.329 60.696 39.137 1.00 0.00 WT1 H ATOM 8898 H2 TIP3 2041 37.731 60.484 40.512 1.00 0.00 WT1 H ATOM 8899 OH2 TIP3 2042 36.723 84.222 26.600 1.00 0.00 WT1 O ATOM 8900 H1 TIP3 2042 37.108 83.795 25.835 1.00 0.00 WT1 H ATOM 8901 H2 TIP3 2042 36.116 83.574 26.957 1.00 0.00 WT1 H ATOM 8902 OH2 TIP3 2043 54.734 19.369 -16.877 1.00 0.00 WT1 O ATOM 8903 H1 TIP3 2043 54.087 19.811 -17.426 1.00 0.00 WT1 H ATOM 8904 H2 TIP3 2043 54.357 19.392 -15.997 1.00 0.00 WT1 H ATOM 8905 OH2 TIP3 2044 62.401 78.468 40.790 1.00 0.00 WT1 O ATOM 8906 H1 TIP3 2044 61.569 78.001 40.866 1.00 0.00 WT1 H ATOM 8907 H2 TIP3 2044 62.943 77.906 40.237 1.00 0.00 WT1 H ATOM 8908 OH2 TIP3 2045 73.449 78.207 -16.680 1.00 0.00 WT1 O ATOM 8909 H1 TIP3 2045 72.941 77.397 -16.637 1.00 0.00 WT1 H ATOM 8910 H2 TIP3 2045 72.856 78.841 -17.081 1.00 0.00 WT1 H ATOM 8911 OH2 TIP3 2046 59.039 65.267 -13.600 1.00 0.00 WT1 O ATOM 8912 H1 TIP3 2046 59.225 64.476 -13.093 1.00 0.00 WT1 H ATOM 8913 H2 TIP3 2046 58.582 65.842 -12.987 1.00 0.00 WT1 H ATOM 8914 OH2 TIP3 2047 62.228 44.393 59.982 1.00 0.00 WT1 O ATOM 8915 H1 TIP3 2047 62.890 45.085 59.987 1.00 0.00 WT1 H ATOM 8916 H2 TIP3 2047 62.732 43.579 59.971 1.00 0.00 WT1 H ATOM 8917 OH2 TIP3 2049 54.586 15.597 35.827 1.00 0.00 WT1 O ATOM 8918 H1 TIP3 2049 54.159 15.453 36.672 1.00 0.00 WT1 H ATOM 8919 H2 TIP3 2049 55.190 16.322 35.985 1.00 0.00 WT1 H ATOM 8920 OH2 TIP3 2051 64.573 46.439 34.814 1.00 0.00 WT1 O ATOM 8921 H1 TIP3 2051 64.495 46.117 33.916 1.00 0.00 WT1 H ATOM 8922 H2 TIP3 2051 63.882 47.096 34.894 1.00 0.00 WT1 H ATOM 8923 OH2 TIP3 2052 71.814 46.765 39.955 1.00 0.00 WT1 O ATOM 8924 H1 TIP3 2052 70.932 46.887 40.304 1.00 0.00 WT1 H ATOM 8925 H2 TIP3 2052 71.710 46.840 39.006 1.00 0.00 WT1 H ATOM 8926 OH2 TIP3 2053 55.235 96.618 56.480 1.00 0.00 WT1 O ATOM 8927 H1 TIP3 2053 55.906 96.639 55.797 1.00 0.00 WT1 H ATOM 8928 H2 TIP3 2053 54.769 95.795 56.332 1.00 0.00 WT1 H ATOM 8929 OH2 TIP3 2055 84.635 66.382 59.633 1.00 0.00 WT1 O ATOM 8930 H1 TIP3 2055 84.846 66.143 58.731 1.00 0.00 WT1 H ATOM 8931 H2 TIP3 2055 85.227 65.853 60.167 1.00 0.00 WT1 H ATOM 8932 OH2 TIP3 2056 33.191 87.933 -14.078 1.00 0.00 WT1 O ATOM 8933 H1 TIP3 2056 33.851 87.863 -13.389 1.00 0.00 WT1 H ATOM 8934 H2 TIP3 2056 32.977 88.865 -14.111 1.00 0.00 WT1 H ATOM 8935 OH2 TIP3 2057 82.060 20.731 8.711 1.00 0.00 WT1 O ATOM 8936 H1 TIP3 2057 82.835 21.288 8.643 1.00 0.00 WT1 H ATOM 8937 H2 TIP3 2057 81.337 21.342 8.851 1.00 0.00 WT1 H ATOM 8938 OH2 TIP3 2058 69.446 19.317 44.897 1.00 0.00 WT1 O ATOM 8939 H1 TIP3 2058 68.557 19.645 44.761 1.00 0.00 WT1 H ATOM 8940 H2 TIP3 2058 69.662 18.863 44.082 1.00 0.00 WT1 H ATOM 8941 OH2 TIP3 2059 27.413 58.001 -15.680 1.00 0.00 WT1 O ATOM 8942 H1 TIP3 2059 26.605 58.513 -15.664 1.00 0.00 WT1 H ATOM 8943 H2 TIP3 2059 28.101 58.632 -15.469 1.00 0.00 WT1 H ATOM 8944 OH2 TIP3 2060 79.642 62.151 -9.405 1.00 0.00 WT1 O ATOM 8945 H1 TIP3 2060 80.386 62.381 -9.962 1.00 0.00 WT1 H ATOM 8946 H2 TIP3 2060 79.880 62.482 -8.539 1.00 0.00 WT1 H ATOM 8947 OH2 TIP3 2061 27.476 49.843 4.857 1.00 0.00 WT1 O ATOM 8948 H1 TIP3 2061 26.528 49.972 4.869 1.00 0.00 WT1 H ATOM 8949 H2 TIP3 2061 27.716 49.739 5.778 1.00 0.00 WT1 H ATOM 8950 OH2 TIP3 2062 22.472 35.966 16.487 1.00 0.00 WT1 O ATOM 8951 H1 TIP3 2062 23.304 36.375 16.727 1.00 0.00 WT1 H ATOM 8952 H2 TIP3 2062 22.003 36.644 16.001 1.00 0.00 WT1 H ATOM 8953 OH2 TIP3 2063 86.752 67.665 -19.943 1.00 0.00 WT1 O ATOM 8954 H1 TIP3 2063 86.530 67.258 -19.105 1.00 0.00 WT1 H ATOM 8955 H2 TIP3 2063 86.027 68.264 -20.118 1.00 0.00 WT1 H ATOM 8956 OH2 TIP3 2064 61.149 90.245 64.633 1.00 0.00 WT1 O ATOM 8957 H1 TIP3 2064 61.688 90.899 64.188 1.00 0.00 WT1 H ATOM 8958 H2 TIP3 2064 61.764 89.553 64.877 1.00 0.00 WT1 H ATOM 8959 OH2 TIP3 2066 41.910 49.217 10.356 1.00 0.00 WT1 O ATOM 8960 H1 TIP3 2066 42.555 48.512 10.424 1.00 0.00 WT1 H ATOM 8961 H2 TIP3 2066 42.309 49.953 10.820 1.00 0.00 WT1 H ATOM 8962 OH2 TIP3 2067 72.232 88.610 9.482 1.00 0.00 WT1 O ATOM 8963 H1 TIP3 2067 72.482 87.906 8.883 1.00 0.00 WT1 H ATOM 8964 H2 TIP3 2067 72.291 88.217 10.352 1.00 0.00 WT1 H ATOM 8965 OH2 TIP3 2068 28.656 81.173 21.577 1.00 0.00 WT1 O ATOM 8966 H1 TIP3 2068 28.705 80.377 21.048 1.00 0.00 WT1 H ATOM 8967 H2 TIP3 2068 27.830 81.093 22.055 1.00 0.00 WT1 H ATOM 8968 OH2 TIP3 2069 67.592 30.061 -15.716 1.00 0.00 WT1 O ATOM 8969 H1 TIP3 2069 67.347 30.981 -15.623 1.00 0.00 WT1 H ATOM 8970 H2 TIP3 2069 67.116 29.614 -15.015 1.00 0.00 WT1 H ATOM 8971 OH2 TIP3 2070 68.760 33.508 43.050 1.00 0.00 WT1 O ATOM 8972 H1 TIP3 2070 69.215 34.209 43.517 1.00 0.00 WT1 H ATOM 8973 H2 TIP3 2070 67.898 33.872 42.851 1.00 0.00 WT1 H ATOM 8974 OH2 TIP3 2071 69.640 45.052 10.121 1.00 0.00 WT1 O ATOM 8975 H1 TIP3 2071 70.074 45.892 10.269 1.00 0.00 WT1 H ATOM 8976 H2 TIP3 2071 68.710 45.236 10.255 1.00 0.00 WT1 H ATOM 8977 OH2 TIP3 2074 82.406 65.484 47.238 1.00 0.00 WT1 O ATOM 8978 H1 TIP3 2074 82.990 65.801 46.549 1.00 0.00 WT1 H ATOM 8979 H2 TIP3 2074 82.900 65.610 48.048 1.00 0.00 WT1 H ATOM 8980 OH2 TIP3 2075 46.975 79.526 -8.743 1.00 0.00 WT1 O ATOM 8981 H1 TIP3 2075 46.618 79.430 -9.626 1.00 0.00 WT1 H ATOM 8982 H2 TIP3 2075 46.356 80.103 -8.295 1.00 0.00 WT1 H ATOM 8983 OH2 TIP3 2076 21.970 90.083 7.899 1.00 0.00 WT1 O ATOM 8984 H1 TIP3 2076 22.231 89.273 8.337 1.00 0.00 WT1 H ATOM 8985 H2 TIP3 2076 21.671 90.653 8.608 1.00 0.00 WT1 H ATOM 8986 OH2 TIP3 2079 21.305 35.319 44.064 1.00 0.00 WT1 O ATOM 8987 H1 TIP3 2079 20.797 34.512 44.141 1.00 0.00 WT1 H ATOM 8988 H2 TIP3 2079 21.540 35.541 44.965 1.00 0.00 WT1 H ATOM 8989 OH2 TIP3 2080 57.147 43.593 42.719 1.00 0.00 WT1 O ATOM 8990 H1 TIP3 2080 56.798 44.008 41.930 1.00 0.00 WT1 H ATOM 8991 H2 TIP3 2080 57.771 42.945 42.392 1.00 0.00 WT1 H ATOM 8992 OH2 TIP3 2081 29.246 81.548 -4.691 1.00 0.00 WT1 O ATOM 8993 H1 TIP3 2081 29.644 80.708 -4.920 1.00 0.00 WT1 H ATOM 8994 H2 TIP3 2081 28.603 81.333 -4.016 1.00 0.00 WT1 H ATOM 8995 OH2 TIP3 2082 31.046 86.172 -6.373 1.00 0.00 WT1 O ATOM 8996 H1 TIP3 2082 30.963 85.635 -7.161 1.00 0.00 WT1 H ATOM 8997 H2 TIP3 2082 30.557 85.692 -5.704 1.00 0.00 WT1 H ATOM 8998 OH2 TIP3 2083 26.109 54.935 58.052 1.00 0.00 WT1 O ATOM 8999 H1 TIP3 2083 25.950 54.471 58.875 1.00 0.00 WT1 H ATOM 9000 H2 TIP3 2083 25.241 55.225 57.770 1.00 0.00 WT1 H ATOM 9001 OH2 TIP3 2084 39.347 15.950 8.440 1.00 0.00 WT1 O ATOM 9002 H1 TIP3 2084 38.913 15.097 8.468 1.00 0.00 WT1 H ATOM 9003 H2 TIP3 2084 40.176 15.812 8.898 1.00 0.00 WT1 H ATOM 9004 OH2 TIP3 2086 86.889 54.641 57.176 1.00 0.00 WT1 O ATOM 9005 H1 TIP3 2086 86.213 54.040 56.862 1.00 0.00 WT1 H ATOM 9006 H2 TIP3 2086 87.309 54.174 57.898 1.00 0.00 WT1 H ATOM 9007 OH2 TIP3 2087 70.415 94.702 11.244 1.00 0.00 WT1 O ATOM 9008 H1 TIP3 2087 69.994 93.957 10.814 1.00 0.00 WT1 H ATOM 9009 H2 TIP3 2087 70.397 94.482 12.175 1.00 0.00 WT1 H ATOM 9010 OH2 TIP3 2088 78.396 36.573 -8.883 1.00 0.00 WT1 O ATOM 9011 H1 TIP3 2088 77.996 35.849 -8.400 1.00 0.00 WT1 H ATOM 9012 H2 TIP3 2088 78.160 37.354 -8.382 1.00 0.00 WT1 H ATOM 9013 OH2 TIP3 2089 79.487 86.117 -10.316 1.00 0.00 WT1 O ATOM 9014 H1 TIP3 2089 80.336 86.353 -9.942 1.00 0.00 WT1 H ATOM 9015 H2 TIP3 2089 78.899 86.064 -9.562 1.00 0.00 WT1 H ATOM 9016 OH2 TIP3 2090 67.968 93.787 6.556 1.00 0.00 WT1 O ATOM 9017 H1 TIP3 2090 67.525 93.041 6.961 1.00 0.00 WT1 H ATOM 9018 H2 TIP3 2090 67.593 93.841 5.677 1.00 0.00 WT1 H ATOM 9019 OH2 TIP3 2091 44.105 34.078 7.683 1.00 0.00 WT1 O ATOM 9020 H1 TIP3 2091 44.050 33.600 8.510 1.00 0.00 WT1 H ATOM 9021 H2 TIP3 2091 43.815 34.965 7.898 1.00 0.00 WT1 H ATOM 9022 OH2 TIP3 2092 33.784 68.352 66.312 1.00 0.00 WT1 O ATOM 9023 H1 TIP3 2092 33.459 67.469 66.489 1.00 0.00 WT1 H ATOM 9024 H2 TIP3 2092 34.619 68.215 65.864 1.00 0.00 WT1 H ATOM 9025 OH2 TIP3 2093 62.150 53.478 26.880 1.00 0.00 WT1 O ATOM 9026 H1 TIP3 2093 61.903 52.866 27.573 1.00 0.00 WT1 H ATOM 9027 H2 TIP3 2093 61.319 53.742 26.485 1.00 0.00 WT1 H ATOM 9028 OH2 TIP3 2094 47.393 44.941 23.567 1.00 0.00 WT1 O ATOM 9029 H1 TIP3 2094 48.155 44.835 22.998 1.00 0.00 WT1 H ATOM 9030 H2 TIP3 2094 46.950 45.721 23.232 1.00 0.00 WT1 H ATOM 9031 OH2 TIP3 2095 29.782 25.297 0.412 1.00 0.00 WT1 O ATOM 9032 H1 TIP3 2095 29.999 25.820 -0.360 1.00 0.00 WT1 H ATOM 9033 H2 TIP3 2095 29.632 24.416 0.071 1.00 0.00 WT1 H ATOM 9034 OH2 TIP3 2096 74.693 61.533 38.194 1.00 0.00 WT1 O ATOM 9035 H1 TIP3 2096 74.543 62.309 38.735 1.00 0.00 WT1 H ATOM 9036 H2 TIP3 2096 75.383 61.052 38.651 1.00 0.00 WT1 H ATOM 9037 OH2 TIP3 2098 41.753 4.799 31.385 1.00 0.00 WT1 O ATOM 9038 H1 TIP3 2098 41.591 5.646 31.799 1.00 0.00 WT1 H ATOM 9039 H2 TIP3 2098 42.686 4.637 31.527 1.00 0.00 WT1 H ATOM 9040 OH2 TIP3 2100 25.841 13.236 40.518 1.00 0.00 WT1 O ATOM 9041 H1 TIP3 2100 26.578 13.661 40.079 1.00 0.00 WT1 H ATOM 9042 H2 TIP3 2100 26.042 12.301 40.475 1.00 0.00 WT1 H ATOM 9043 OH2 TIP3 2102 48.930 10.459 -5.682 1.00 0.00 WT1 O ATOM 9044 H1 TIP3 2102 49.493 9.688 -5.620 1.00 0.00 WT1 H ATOM 9045 H2 TIP3 2102 48.225 10.293 -5.056 1.00 0.00 WT1 H ATOM 9046 OH2 TIP3 2103 33.202 79.115 -15.083 1.00 0.00 WT1 O ATOM 9047 H1 TIP3 2103 33.840 79.750 -14.758 1.00 0.00 WT1 H ATOM 9048 H2 TIP3 2103 32.411 79.287 -14.573 1.00 0.00 WT1 H ATOM 9049 OH2 TIP3 2104 48.276 89.485 34.136 1.00 0.00 WT1 O ATOM 9050 H1 TIP3 2104 48.302 88.547 34.329 1.00 0.00 WT1 H ATOM 9051 H2 TIP3 2104 49.143 89.681 33.781 1.00 0.00 WT1 H ATOM 9052 OH2 TIP3 2105 35.447 10.663 -18.344 1.00 0.00 WT1 O ATOM 9053 H1 TIP3 2105 35.656 11.176 -19.125 1.00 0.00 WT1 H ATOM 9054 H2 TIP3 2105 34.497 10.555 -18.375 1.00 0.00 WT1 H ATOM 9055 OH2 TIP3 2106 78.936 20.063 6.433 1.00 0.00 WT1 O ATOM 9056 H1 TIP3 2106 79.693 20.021 5.848 1.00 0.00 WT1 H ATOM 9057 H2 TIP3 2106 78.238 20.438 5.896 1.00 0.00 WT1 H ATOM 9058 OH2 TIP3 2107 77.359 15.354 -10.025 1.00 0.00 WT1 O ATOM 9059 H1 TIP3 2107 78.003 15.915 -9.592 1.00 0.00 WT1 H ATOM 9060 H2 TIP3 2107 77.188 15.787 -10.861 1.00 0.00 WT1 H ATOM 9061 OH2 TIP3 2108 56.673 53.374 -11.890 1.00 0.00 WT1 O ATOM 9062 H1 TIP3 2108 56.051 54.074 -11.687 1.00 0.00 WT1 H ATOM 9063 H2 TIP3 2108 56.382 52.634 -11.358 1.00 0.00 WT1 H ATOM 9064 OH2 TIP3 2109 31.274 79.193 18.258 1.00 0.00 WT1 O ATOM 9065 H1 TIP3 2109 31.326 78.239 18.314 1.00 0.00 WT1 H ATOM 9066 H2 TIP3 2109 30.339 79.377 18.164 1.00 0.00 WT1 H ATOM 9067 OH2 TIP3 2110 30.826 34.702 16.139 1.00 0.00 WT1 O ATOM 9068 H1 TIP3 2110 31.237 35.542 15.932 1.00 0.00 WT1 H ATOM 9069 H2 TIP3 2110 31.472 34.246 16.678 1.00 0.00 WT1 H ATOM 9070 OH2 TIP3 2112 52.078 56.745 -16.017 1.00 0.00 WT1 O ATOM 9071 H1 TIP3 2112 52.009 56.421 -16.915 1.00 0.00 WT1 H ATOM 9072 H2 TIP3 2112 51.802 57.660 -16.070 1.00 0.00 WT1 H ATOM 9073 OH2 TIP3 2113 47.273 3.247 56.822 1.00 0.00 WT1 O ATOM 9074 H1 TIP3 2113 46.789 3.869 57.365 1.00 0.00 WT1 H ATOM 9075 H2 TIP3 2113 47.216 2.418 57.297 1.00 0.00 WT1 H ATOM 9076 OH2 TIP3 2114 77.307 55.964 -9.653 1.00 0.00 WT1 O ATOM 9077 H1 TIP3 2114 78.239 55.762 -9.729 1.00 0.00 WT1 H ATOM 9078 H2 TIP3 2114 76.869 55.119 -9.755 1.00 0.00 WT1 H ATOM 9079 OH2 TIP3 2115 42.168 51.651 11.727 1.00 0.00 WT1 O ATOM 9080 H1 TIP3 2115 41.360 52.051 12.048 1.00 0.00 WT1 H ATOM 9081 H2 TIP3 2115 42.720 52.391 11.476 1.00 0.00 WT1 H ATOM 9082 OH2 TIP3 2116 70.528 80.610 55.340 1.00 0.00 WT1 O ATOM 9083 H1 TIP3 2116 71.021 80.319 56.107 1.00 0.00 WT1 H ATOM 9084 H2 TIP3 2116 69.615 80.609 55.627 1.00 0.00 WT1 H ATOM 9085 OH2 TIP3 2117 29.345 57.075 -6.429 1.00 0.00 WT1 O ATOM 9086 H1 TIP3 2117 28.542 56.630 -6.702 1.00 0.00 WT1 H ATOM 9087 H2 TIP3 2117 29.751 56.475 -5.803 1.00 0.00 WT1 H ATOM 9088 OH2 TIP3 2118 68.175 39.578 20.739 1.00 0.00 WT1 O ATOM 9089 H1 TIP3 2118 67.452 40.149 20.999 1.00 0.00 WT1 H ATOM 9090 H2 TIP3 2118 68.700 40.111 20.143 1.00 0.00 WT1 H ATOM 9091 OH2 TIP3 2119 85.703 95.042 38.880 1.00 0.00 WT1 O ATOM 9092 H1 TIP3 2119 86.451 94.589 39.269 1.00 0.00 WT1 H ATOM 9093 H2 TIP3 2119 85.929 95.128 37.954 1.00 0.00 WT1 H ATOM 9094 OH2 TIP3 2120 75.453 66.507 4.370 1.00 0.00 WT1 O ATOM 9095 H1 TIP3 2120 75.700 65.857 3.713 1.00 0.00 WT1 H ATOM 9096 H2 TIP3 2120 74.622 66.863 4.055 1.00 0.00 WT1 H ATOM 9097 OH2 TIP3 2121 41.724 87.119 10.759 1.00 0.00 WT1 O ATOM 9098 H1 TIP3 2121 41.190 86.458 10.318 1.00 0.00 WT1 H ATOM 9099 H2 TIP3 2121 41.730 86.848 11.677 1.00 0.00 WT1 H ATOM 9100 OH2 TIP3 2122 59.354 78.021 -4.478 1.00 0.00 WT1 O ATOM 9101 H1 TIP3 2122 60.017 78.311 -5.105 1.00 0.00 WT1 H ATOM 9102 H2 TIP3 2122 59.798 78.049 -3.630 1.00 0.00 WT1 H ATOM 9103 OH2 TIP3 2123 48.050 84.792 23.877 1.00 0.00 WT1 O ATOM 9104 H1 TIP3 2123 47.546 85.502 24.275 1.00 0.00 WT1 H ATOM 9105 H2 TIP3 2123 47.576 84.584 23.071 1.00 0.00 WT1 H ATOM 9106 OH2 TIP3 2124 36.299 0.044 59.243 1.00 0.00 WT1 O ATOM 9107 H1 TIP3 2124 36.546 0.941 59.018 1.00 0.00 WT1 H ATOM 9108 H2 TIP3 2124 35.599 0.143 59.889 1.00 0.00 WT1 H ATOM 9109 OH2 TIP3 2125 62.446 89.014 15.857 1.00 0.00 WT1 O ATOM 9110 H1 TIP3 2125 62.885 88.164 15.888 1.00 0.00 WT1 H ATOM 9111 H2 TIP3 2125 61.987 89.017 15.017 1.00 0.00 WT1 H ATOM 9112 OH2 TIP3 2126 84.901 27.309 46.520 1.00 0.00 WT1 O ATOM 9113 H1 TIP3 2126 85.827 27.512 46.653 1.00 0.00 WT1 H ATOM 9114 H2 TIP3 2126 84.556 27.174 47.403 1.00 0.00 WT1 H ATOM 9115 OH2 TIP3 2127 54.422 91.838 10.561 1.00 0.00 WT1 O ATOM 9116 H1 TIP3 2127 54.118 90.942 10.413 1.00 0.00 WT1 H ATOM 9117 H2 TIP3 2127 53.945 92.127 11.339 1.00 0.00 WT1 H ATOM 9118 OH2 TIP3 2128 42.957 79.772 57.113 1.00 0.00 WT1 O ATOM 9119 H1 TIP3 2128 43.153 80.342 56.369 1.00 0.00 WT1 H ATOM 9120 H2 TIP3 2128 43.112 80.319 57.882 1.00 0.00 WT1 H ATOM 9121 OH2 TIP3 2129 34.252 35.036 56.063 1.00 0.00 WT1 O ATOM 9122 H1 TIP3 2129 33.692 34.727 56.775 1.00 0.00 WT1 H ATOM 9123 H2 TIP3 2129 33.675 35.575 55.521 1.00 0.00 WT1 H ATOM 9124 OH2 TIP3 2130 74.037 56.129 54.731 1.00 0.00 WT1 O ATOM 9125 H1 TIP3 2130 73.426 55.393 54.778 1.00 0.00 WT1 H ATOM 9126 H2 TIP3 2130 73.533 56.834 54.324 1.00 0.00 WT1 H ATOM 9127 OH2 TIP3 2131 28.590 56.712 -1.217 1.00 0.00 WT1 O ATOM 9128 H1 TIP3 2131 28.230 57.598 -1.181 1.00 0.00 WT1 H ATOM 9129 H2 TIP3 2131 28.596 56.419 -0.306 1.00 0.00 WT1 H ATOM 9130 OH2 TIP3 2132 60.929 47.353 -6.827 1.00 0.00 WT1 O ATOM 9131 H1 TIP3 2132 60.514 48.166 -7.114 1.00 0.00 WT1 H ATOM 9132 H2 TIP3 2132 60.618 47.228 -5.930 1.00 0.00 WT1 H ATOM 9133 OH2 TIP3 2133 22.313 5.703 31.355 1.00 0.00 WT1 O ATOM 9134 H1 TIP3 2133 22.863 5.518 30.594 1.00 0.00 WT1 H ATOM 9135 H2 TIP3 2133 22.655 6.526 31.704 1.00 0.00 WT1 H ATOM 9136 OH2 TIP3 2134 21.311 51.479 23.273 1.00 0.00 WT1 O ATOM 9137 H1 TIP3 2134 20.964 52.367 23.180 1.00 0.00 WT1 H ATOM 9138 H2 TIP3 2134 22.261 51.592 23.271 1.00 0.00 WT1 H ATOM 9139 OH2 TIP3 2135 23.699 43.917 3.942 1.00 0.00 WT1 O ATOM 9140 H1 TIP3 2135 24.325 44.424 4.459 1.00 0.00 WT1 H ATOM 9141 H2 TIP3 2135 22.843 44.268 4.190 1.00 0.00 WT1 H ATOM 9142 OH2 TIP3 2136 29.070 62.174 64.878 1.00 0.00 WT1 O ATOM 9143 H1 TIP3 2136 29.785 62.480 65.436 1.00 0.00 WT1 H ATOM 9144 H2 TIP3 2136 28.354 61.989 65.485 1.00 0.00 WT1 H ATOM 9145 OH2 TIP3 2137 26.637 29.489 -6.393 1.00 0.00 WT1 O ATOM 9146 H1 TIP3 2137 27.021 30.264 -5.982 1.00 0.00 WT1 H ATOM 9147 H2 TIP3 2137 26.220 29.821 -7.188 1.00 0.00 WT1 H ATOM 9148 OH2 TIP3 2138 89.238 18.558 6.463 1.00 0.00 WT1 O ATOM 9149 H1 TIP3 2138 89.665 19.023 7.182 1.00 0.00 WT1 H ATOM 9150 H2 TIP3 2138 88.910 19.251 5.889 1.00 0.00 WT1 H ATOM 9151 OH2 TIP3 2139 24.655 37.273 60.360 1.00 0.00 WT1 O ATOM 9152 H1 TIP3 2139 25.504 37.125 60.778 1.00 0.00 WT1 H ATOM 9153 H2 TIP3 2139 24.749 38.118 59.919 1.00 0.00 WT1 H ATOM 9154 OH2 TIP3 2140 35.034 44.447 35.404 1.00 0.00 WT1 O ATOM 9155 H1 TIP3 2140 35.695 44.922 35.908 1.00 0.00 WT1 H ATOM 9156 H2 TIP3 2140 35.512 43.716 35.011 1.00 0.00 WT1 H ATOM 9157 OH2 TIP3 2141 31.633 13.856 -18.104 1.00 0.00 WT1 O ATOM 9158 H1 TIP3 2141 32.058 13.836 -18.961 1.00 0.00 WT1 H ATOM 9159 H2 TIP3 2141 32.144 14.487 -17.597 1.00 0.00 WT1 H ATOM 9160 OH2 TIP3 2143 36.520 28.188 -9.794 1.00 0.00 WT1 O ATOM 9161 H1 TIP3 2143 37.220 28.300 -10.437 1.00 0.00 WT1 H ATOM 9162 H2 TIP3 2143 36.142 29.062 -9.695 1.00 0.00 WT1 H ATOM 9163 OH2 TIP3 2144 28.486 93.747 9.849 1.00 0.00 WT1 O ATOM 9164 H1 TIP3 2144 28.441 93.618 10.797 1.00 0.00 WT1 H ATOM 9165 H2 TIP3 2144 27.811 94.400 9.663 1.00 0.00 WT1 H ATOM 9166 OH2 TIP3 2145 79.866 92.268 55.115 1.00 0.00 WT1 O ATOM 9167 H1 TIP3 2145 78.945 92.362 54.873 1.00 0.00 WT1 H ATOM 9168 H2 TIP3 2145 80.091 93.101 55.530 1.00 0.00 WT1 H ATOM 9169 OH2 TIP3 2146 89.922 68.091 -2.987 1.00 0.00 WT1 O ATOM 9170 H1 TIP3 2146 89.257 68.685 -3.335 1.00 0.00 WT1 H ATOM 9171 H2 TIP3 2146 89.422 67.377 -2.590 1.00 0.00 WT1 H ATOM 9172 OH2 TIP3 2147 86.033 59.363 62.005 1.00 0.00 WT1 O ATOM 9173 H1 TIP3 2147 86.066 60.297 61.796 1.00 0.00 WT1 H ATOM 9174 H2 TIP3 2147 86.948 59.111 62.123 1.00 0.00 WT1 H ATOM 9175 OH2 TIP3 2148 47.016 10.002 31.838 1.00 0.00 WT1 O ATOM 9176 H1 TIP3 2148 47.555 9.616 32.529 1.00 0.00 WT1 H ATOM 9177 H2 TIP3 2148 46.756 9.258 31.294 1.00 0.00 WT1 H ATOM 9178 OH2 TIP3 2149 62.586 92.067 1.017 1.00 0.00 WT1 O ATOM 9179 H1 TIP3 2149 62.022 91.306 0.877 1.00 0.00 WT1 H ATOM 9180 H2 TIP3 2149 62.981 91.918 1.875 1.00 0.00 WT1 H ATOM 9181 OH2 TIP3 2150 39.983 66.526 11.445 1.00 0.00 WT1 O ATOM 9182 H1 TIP3 2150 39.648 65.819 11.997 1.00 0.00 WT1 H ATOM 9183 H2 TIP3 2150 40.845 66.222 11.163 1.00 0.00 WT1 H ATOM 9184 OH2 TIP3 2151 25.048 68.852 37.031 1.00 0.00 WT1 O ATOM 9185 H1 TIP3 2151 24.256 68.384 36.767 1.00 0.00 WT1 H ATOM 9186 H2 TIP3 2151 25.677 68.162 37.239 1.00 0.00 WT1 H ATOM 9187 OH2 TIP3 2152 45.405 61.926 -2.605 1.00 0.00 WT1 O ATOM 9188 H1 TIP3 2152 45.742 62.224 -1.760 1.00 0.00 WT1 H ATOM 9189 H2 TIP3 2152 46.009 61.234 -2.873 1.00 0.00 WT1 H ATOM 9190 OH2 TIP3 2153 38.994 33.361 28.020 1.00 0.00 WT1 O ATOM 9191 H1 TIP3 2153 39.463 33.954 28.607 1.00 0.00 WT1 H ATOM 9192 H2 TIP3 2153 38.534 33.940 27.412 1.00 0.00 WT1 H ATOM 9193 OH2 TIP3 2154 42.612 52.126 8.264 1.00 0.00 WT1 O ATOM 9194 H1 TIP3 2154 42.441 52.799 8.922 1.00 0.00 WT1 H ATOM 9195 H2 TIP3 2154 43.564 52.123 8.165 1.00 0.00 WT1 H ATOM 9196 OH2 TIP3 2155 47.264 96.077 14.442 1.00 0.00 WT1 O ATOM 9197 H1 TIP3 2155 46.578 95.504 14.099 1.00 0.00 WT1 H ATOM 9198 H2 TIP3 2155 47.781 95.515 15.018 1.00 0.00 WT1 H ATOM 9199 OH2 TIP3 2156 54.934 39.887 22.086 1.00 0.00 WT1 O ATOM 9200 H1 TIP3 2156 55.111 40.784 22.370 1.00 0.00 WT1 H ATOM 9201 H2 TIP3 2156 55.772 39.573 21.745 1.00 0.00 WT1 H ATOM 9202 OH2 TIP3 2157 31.344 49.355 52.858 1.00 0.00 WT1 O ATOM 9203 H1 TIP3 2157 30.600 49.867 53.175 1.00 0.00 WT1 H ATOM 9204 H2 TIP3 2157 31.059 49.017 52.009 1.00 0.00 WT1 H ATOM 9205 OH2 TIP3 2158 35.191 73.563 -11.084 1.00 0.00 WT1 O ATOM 9206 H1 TIP3 2158 35.687 72.759 -11.237 1.00 0.00 WT1 H ATOM 9207 H2 TIP3 2158 34.986 73.545 -10.150 1.00 0.00 WT1 H ATOM 9208 OH2 TIP3 2160 67.970 67.844 31.767 1.00 0.00 WT1 O ATOM 9209 H1 TIP3 2160 67.635 67.302 31.052 1.00 0.00 WT1 H ATOM 9210 H2 TIP3 2160 67.225 68.387 32.025 1.00 0.00 WT1 H ATOM 9211 OH2 TIP3 2161 83.765 34.976 39.192 1.00 0.00 WT1 O ATOM 9212 H1 TIP3 2161 84.640 35.323 39.018 1.00 0.00 WT1 H ATOM 9213 H2 TIP3 2161 83.628 34.318 38.510 1.00 0.00 WT1 H ATOM 9214 OH2 TIP3 2162 79.718 67.742 25.944 1.00 0.00 WT1 O ATOM 9215 H1 TIP3 2162 79.470 67.082 26.591 1.00 0.00 WT1 H ATOM 9216 H2 TIP3 2162 80.103 67.241 25.225 1.00 0.00 WT1 H ATOM 9217 OH2 TIP3 2163 38.200 77.193 13.474 1.00 0.00 WT1 O ATOM 9218 H1 TIP3 2163 38.203 78.140 13.336 1.00 0.00 WT1 H ATOM 9219 H2 TIP3 2163 38.835 77.052 14.177 1.00 0.00 WT1 H ATOM 9220 OH2 TIP3 2165 51.463 17.525 5.508 1.00 0.00 WT1 O ATOM 9221 H1 TIP3 2165 50.657 17.050 5.306 1.00 0.00 WT1 H ATOM 9222 H2 TIP3 2165 51.211 18.145 6.192 1.00 0.00 WT1 H ATOM 9223 OH2 TIP3 2166 24.162 53.161 32.120 1.00 0.00 WT1 O ATOM 9224 H1 TIP3 2166 24.145 53.127 31.163 1.00 0.00 WT1 H ATOM 9225 H2 TIP3 2166 25.081 53.022 32.349 1.00 0.00 WT1 H ATOM 9226 OH2 TIP3 2167 37.549 39.112 59.429 1.00 0.00 WT1 O ATOM 9227 H1 TIP3 2167 37.841 39.546 58.627 1.00 0.00 WT1 H ATOM 9228 H2 TIP3 2167 36.643 39.399 59.541 1.00 0.00 WT1 H ATOM 9229 OH2 TIP3 2168 47.818 16.966 -14.415 1.00 0.00 WT1 O ATOM 9230 H1 TIP3 2168 47.608 17.573 -15.125 1.00 0.00 WT1 H ATOM 9231 H2 TIP3 2168 48.768 16.857 -14.466 1.00 0.00 WT1 H ATOM 9232 OH2 TIP3 2169 28.384 43.411 6.858 1.00 0.00 WT1 O ATOM 9233 H1 TIP3 2169 28.139 44.299 6.601 1.00 0.00 WT1 H ATOM 9234 H2 TIP3 2169 27.842 43.224 7.624 1.00 0.00 WT1 H ATOM 9235 OH2 TIP3 2170 70.837 70.029 1.417 1.00 0.00 WT1 O ATOM 9236 H1 TIP3 2170 71.151 69.293 0.892 1.00 0.00 WT1 H ATOM 9237 H2 TIP3 2170 70.259 70.515 0.828 1.00 0.00 WT1 H ATOM 9238 OH2 TIP3 2171 49.644 84.984 38.102 1.00 0.00 WT1 O ATOM 9239 H1 TIP3 2171 50.014 85.104 38.976 1.00 0.00 WT1 H ATOM 9240 H2 TIP3 2171 50.397 85.034 37.513 1.00 0.00 WT1 H ATOM 9241 OH2 TIP3 2172 70.113 72.201 34.928 1.00 0.00 WT1 O ATOM 9242 H1 TIP3 2172 69.525 71.559 34.529 1.00 0.00 WT1 H ATOM 9243 H2 TIP3 2172 69.566 72.670 35.558 1.00 0.00 WT1 H ATOM 9244 OH2 TIP3 2173 61.204 86.540 12.532 1.00 0.00 WT1 O ATOM 9245 H1 TIP3 2173 61.003 85.611 12.420 1.00 0.00 WT1 H ATOM 9246 H2 TIP3 2173 62.135 86.612 12.318 1.00 0.00 WT1 H ATOM 9247 OH2 TIP3 2176 40.838 56.350 -18.885 1.00 0.00 WT1 O ATOM 9248 H1 TIP3 2176 41.259 57.149 -18.565 1.00 0.00 WT1 H ATOM 9249 H2 TIP3 2176 41.562 55.803 -19.188 1.00 0.00 WT1 H ATOM 9250 OH2 TIP3 2177 20.935 42.765 13.550 1.00 0.00 WT1 O ATOM 9251 H1 TIP3 2177 20.991 42.936 14.491 1.00 0.00 WT1 H ATOM 9252 H2 TIP3 2177 20.273 43.380 13.234 1.00 0.00 WT1 H ATOM 9253 OH2 TIP3 2178 26.595 43.774 36.566 1.00 0.00 WT1 O ATOM 9254 H1 TIP3 2178 27.521 43.811 36.329 1.00 0.00 WT1 H ATOM 9255 H2 TIP3 2178 26.150 43.516 35.758 1.00 0.00 WT1 H ATOM 9256 OH2 TIP3 2180 66.373 36.002 48.717 1.00 0.00 WT1 O ATOM 9257 H1 TIP3 2180 66.557 35.765 47.808 1.00 0.00 WT1 H ATOM 9258 H2 TIP3 2180 65.740 35.347 49.012 1.00 0.00 WT1 H ATOM 9259 OH2 TIP3 2181 20.871 35.759 48.847 1.00 0.00 WT1 O ATOM 9260 H1 TIP3 2181 21.399 35.827 48.051 1.00 0.00 WT1 H ATOM 9261 H2 TIP3 2181 20.840 36.652 49.191 1.00 0.00 WT1 H ATOM 9262 OH2 TIP3 2182 81.922 62.366 42.469 1.00 0.00 WT1 O ATOM 9263 H1 TIP3 2182 81.599 62.156 41.592 1.00 0.00 WT1 H ATOM 9264 H2 TIP3 2182 82.727 62.861 42.316 1.00 0.00 WT1 H ATOM 9265 OH2 TIP3 2183 89.203 62.474 43.163 1.00 0.00 WT1 O ATOM 9266 H1 TIP3 2183 89.918 62.505 42.528 1.00 0.00 WT1 H ATOM 9267 H2 TIP3 2183 89.344 61.659 43.645 1.00 0.00 WT1 H ATOM 9268 OH2 TIP3 2184 36.093 74.806 13.854 1.00 0.00 WT1 O ATOM 9269 H1 TIP3 2184 36.376 75.700 14.045 1.00 0.00 WT1 H ATOM 9270 H2 TIP3 2184 35.761 74.476 14.689 1.00 0.00 WT1 H ATOM 9271 OH2 TIP3 2185 54.870 87.017 22.502 1.00 0.00 WT1 O ATOM 9272 H1 TIP3 2185 54.201 86.572 21.981 1.00 0.00 WT1 H ATOM 9273 H2 TIP3 2185 55.270 87.640 21.896 1.00 0.00 WT1 H ATOM 9274 OH2 TIP3 2186 32.518 3.514 61.323 1.00 0.00 WT1 O ATOM 9275 H1 TIP3 2186 32.993 4.271 61.668 1.00 0.00 WT1 H ATOM 9276 H2 TIP3 2186 33.204 2.890 61.083 1.00 0.00 WT1 H ATOM 9277 OH2 TIP3 2187 38.465 78.895 -6.902 1.00 0.00 WT1 O ATOM 9278 H1 TIP3 2187 38.755 78.175 -6.342 1.00 0.00 WT1 H ATOM 9279 H2 TIP3 2187 37.944 79.453 -6.324 1.00 0.00 WT1 H ATOM 9280 OH2 TIP3 2188 36.495 24.198 -6.456 1.00 0.00 WT1 O ATOM 9281 H1 TIP3 2188 36.965 24.693 -5.785 1.00 0.00 WT1 H ATOM 9282 H2 TIP3 2188 36.339 24.832 -7.156 1.00 0.00 WT1 H ATOM 9283 OH2 TIP3 2189 64.533 6.793 1.836 1.00 0.00 WT1 O ATOM 9284 H1 TIP3 2189 63.734 7.085 1.398 1.00 0.00 WT1 H ATOM 9285 H2 TIP3 2189 64.320 5.920 2.166 1.00 0.00 WT1 H ATOM 9286 OH2 TIP3 2190 55.140 45.320 -8.686 1.00 0.00 WT1 O ATOM 9287 H1 TIP3 2190 54.285 45.666 -8.429 1.00 0.00 WT1 H ATOM 9288 H2 TIP3 2190 55.676 45.394 -7.897 1.00 0.00 WT1 H ATOM 9289 OH2 TIP3 2191 80.663 43.553 44.249 1.00 0.00 WT1 O ATOM 9290 H1 TIP3 2191 80.422 43.811 45.139 1.00 0.00 WT1 H ATOM 9291 H2 TIP3 2191 79.827 43.387 43.812 1.00 0.00 WT1 H ATOM 9292 OH2 TIP3 2192 67.413 38.737 56.023 1.00 0.00 WT1 O ATOM 9293 H1 TIP3 2192 67.029 37.875 55.860 1.00 0.00 WT1 H ATOM 9294 H2 TIP3 2192 67.403 39.170 55.170 1.00 0.00 WT1 H ATOM 9295 OH2 TIP3 2193 23.426 34.313 39.606 1.00 0.00 WT1 O ATOM 9296 H1 TIP3 2193 23.852 33.925 38.841 1.00 0.00 WT1 H ATOM 9297 H2 TIP3 2193 22.600 34.661 39.271 1.00 0.00 WT1 H ATOM 9298 OH2 TIP3 2194 54.326 21.916 -0.033 1.00 0.00 WT1 O ATOM 9299 H1 TIP3 2194 54.639 22.233 0.814 1.00 0.00 WT1 H ATOM 9300 H2 TIP3 2194 53.459 22.310 -0.131 1.00 0.00 WT1 H ATOM 9301 OH2 TIP3 2195 50.879 17.646 15.260 1.00 0.00 WT1 O ATOM 9302 H1 TIP3 2195 50.053 17.689 15.743 1.00 0.00 WT1 H ATOM 9303 H2 TIP3 2195 50.725 18.170 14.474 1.00 0.00 WT1 H ATOM 9304 OH2 TIP3 2196 77.728 45.127 -18.289 1.00 0.00 WT1 O ATOM 9305 H1 TIP3 2196 77.907 45.546 -19.131 1.00 0.00 WT1 H ATOM 9306 H2 TIP3 2196 77.130 45.727 -17.844 1.00 0.00 WT1 H ATOM 9307 OH2 TIP3 2197 65.639 43.550 41.120 1.00 0.00 WT1 O ATOM 9308 H1 TIP3 2197 66.073 44.357 40.841 1.00 0.00 WT1 H ATOM 9309 H2 TIP3 2197 65.618 43.608 42.075 1.00 0.00 WT1 H ATOM 9310 OH2 TIP3 2198 41.455 41.017 34.758 1.00 0.00 WT1 O ATOM 9311 H1 TIP3 2198 41.510 41.664 34.055 1.00 0.00 WT1 H ATOM 9312 H2 TIP3 2198 41.895 40.243 34.407 1.00 0.00 WT1 H ATOM 9313 OH2 TIP3 2199 34.937 40.576 -12.740 1.00 0.00 WT1 O ATOM 9314 H1 TIP3 2199 35.546 41.313 -12.691 1.00 0.00 WT1 H ATOM 9315 H2 TIP3 2199 34.070 40.980 -12.723 1.00 0.00 WT1 H ATOM 9316 OH2 TIP3 2200 39.756 7.520 3.760 1.00 0.00 WT1 O ATOM 9317 H1 TIP3 2200 39.513 7.038 4.551 1.00 0.00 WT1 H ATOM 9318 H2 TIP3 2200 40.070 8.365 4.081 1.00 0.00 WT1 H ATOM 9319 OH2 TIP3 2201 38.040 1.955 6.349 1.00 0.00 WT1 O ATOM 9320 H1 TIP3 2201 38.287 2.866 6.194 1.00 0.00 WT1 H ATOM 9321 H2 TIP3 2201 37.237 2.009 6.866 1.00 0.00 WT1 H ATOM 9322 OH2 TIP3 2202 29.470 3.277 0.564 1.00 0.00 WT1 O ATOM 9323 H1 TIP3 2202 28.997 3.987 0.131 1.00 0.00 WT1 H ATOM 9324 H2 TIP3 2202 29.948 3.705 1.275 1.00 0.00 WT1 H ATOM 9325 OH2 TIP3 2203 84.731 83.906 10.534 1.00 0.00 WT1 O ATOM 9326 H1 TIP3 2203 85.603 83.907 10.137 1.00 0.00 WT1 H ATOM 9327 H2 TIP3 2203 84.698 84.716 11.043 1.00 0.00 WT1 H ATOM 9328 OH2 TIP3 2204 32.864 57.209 17.908 1.00 0.00 WT1 O ATOM 9329 H1 TIP3 2204 33.604 56.836 17.430 1.00 0.00 WT1 H ATOM 9330 H2 TIP3 2204 33.169 57.272 18.813 1.00 0.00 WT1 H ATOM 9331 OH2 TIP3 2205 22.821 16.579 -17.859 1.00 0.00 WT1 O ATOM 9332 H1 TIP3 2205 22.418 17.427 -18.045 1.00 0.00 WT1 H ATOM 9333 H2 TIP3 2205 23.717 16.793 -17.595 1.00 0.00 WT1 H ATOM 9334 OH2 TIP3 2206 36.105 88.378 60.473 1.00 0.00 WT1 O ATOM 9335 H1 TIP3 2206 36.560 87.758 61.042 1.00 0.00 WT1 H ATOM 9336 H2 TIP3 2206 36.731 88.566 59.774 1.00 0.00 WT1 H ATOM 9337 OH2 TIP3 2207 82.874 35.423 0.365 1.00 0.00 WT1 O ATOM 9338 H1 TIP3 2207 83.046 35.814 1.222 1.00 0.00 WT1 H ATOM 9339 H2 TIP3 2207 81.949 35.603 0.200 1.00 0.00 WT1 H ATOM 9340 OH2 TIP3 2208 83.518 54.595 53.162 1.00 0.00 WT1 O ATOM 9341 H1 TIP3 2208 82.672 54.365 52.777 1.00 0.00 WT1 H ATOM 9342 H2 TIP3 2208 84.053 53.810 53.050 1.00 0.00 WT1 H ATOM 9343 OH2 TIP3 2209 89.471 65.996 52.897 1.00 0.00 WT1 O ATOM 9344 H1 TIP3 2209 88.971 66.286 52.135 1.00 0.00 WT1 H ATOM 9345 H2 TIP3 2209 88.847 65.488 53.415 1.00 0.00 WT1 H ATOM 9346 OH2 TIP3 2210 34.229 93.222 5.361 1.00 0.00 WT1 O ATOM 9347 H1 TIP3 2210 34.578 93.716 6.103 1.00 0.00 WT1 H ATOM 9348 H2 TIP3 2210 33.282 93.218 5.499 1.00 0.00 WT1 H ATOM 9349 OH2 TIP3 2211 81.998 9.582 6.018 1.00 0.00 WT1 O ATOM 9350 H1 TIP3 2211 82.537 9.024 5.457 1.00 0.00 WT1 H ATOM 9351 H2 TIP3 2211 82.619 9.981 6.627 1.00 0.00 WT1 H ATOM 9352 OH2 TIP3 2213 85.280 47.275 -6.379 1.00 0.00 WT1 O ATOM 9353 H1 TIP3 2213 84.324 47.289 -6.351 1.00 0.00 WT1 H ATOM 9354 H2 TIP3 2213 85.532 48.198 -6.425 1.00 0.00 WT1 H ATOM 9355 OH2 TIP3 2214 32.060 19.342 32.819 1.00 0.00 WT1 O ATOM 9356 H1 TIP3 2214 32.840 19.890 32.727 1.00 0.00 WT1 H ATOM 9357 H2 TIP3 2214 31.656 19.353 31.951 1.00 0.00 WT1 H ATOM 9358 OH2 TIP3 2215 89.136 25.397 -1.457 1.00 0.00 WT1 O ATOM 9359 H1 TIP3 2215 89.772 25.574 -2.150 1.00 0.00 WT1 H ATOM 9360 H2 TIP3 2215 89.375 26.000 -0.753 1.00 0.00 WT1 H ATOM 9361 OH2 TIP3 2216 38.191 62.058 10.889 1.00 0.00 WT1 O ATOM 9362 H1 TIP3 2216 38.853 61.876 11.555 1.00 0.00 WT1 H ATOM 9363 H2 TIP3 2216 38.566 61.715 10.078 1.00 0.00 WT1 H ATOM 9364 OH2 TIP3 2217 40.523 16.814 56.805 1.00 0.00 WT1 O ATOM 9365 H1 TIP3 2217 41.370 16.916 56.373 1.00 0.00 WT1 H ATOM 9366 H2 TIP3 2217 40.085 17.656 56.676 1.00 0.00 WT1 H ATOM 9367 OH2 TIP3 2218 56.520 92.391 -10.432 1.00 0.00 WT1 O ATOM 9368 H1 TIP3 2218 56.151 91.852 -11.132 1.00 0.00 WT1 H ATOM 9369 H2 TIP3 2218 56.673 91.780 -9.712 1.00 0.00 WT1 H ATOM 9370 OH2 TIP3 2219 53.503 18.237 26.509 1.00 0.00 WT1 O ATOM 9371 H1 TIP3 2219 53.190 19.126 26.678 1.00 0.00 WT1 H ATOM 9372 H2 TIP3 2219 54.425 18.254 26.766 1.00 0.00 WT1 H ATOM 9373 OH2 TIP3 2220 90.024 15.325 62.535 1.00 0.00 WT1 O ATOM 9374 H1 TIP3 2220 89.345 15.668 63.116 1.00 0.00 WT1 H ATOM 9375 H2 TIP3 2220 90.355 16.096 62.074 1.00 0.00 WT1 H ATOM 9376 OH2 TIP3 2221 23.965 74.016 39.764 1.00 0.00 WT1 O ATOM 9377 H1 TIP3 2221 24.882 74.278 39.840 1.00 0.00 WT1 H ATOM 9378 H2 TIP3 2221 23.711 73.768 40.653 1.00 0.00 WT1 H ATOM 9379 OH2 TIP3 2223 45.043 48.304 7.035 1.00 0.00 WT1 O ATOM 9380 H1 TIP3 2223 45.946 48.597 6.910 1.00 0.00 WT1 H ATOM 9381 H2 TIP3 2223 44.872 48.445 7.966 1.00 0.00 WT1 H ATOM 9382 OH2 TIP3 2224 29.033 2.267 29.121 1.00 0.00 WT1 O ATOM 9383 H1 TIP3 2224 29.716 1.613 28.973 1.00 0.00 WT1 H ATOM 9384 H2 TIP3 2224 29.430 3.095 28.850 1.00 0.00 WT1 H ATOM 9385 OH2 TIP3 2225 87.189 88.771 6.836 1.00 0.00 WT1 O ATOM 9386 H1 TIP3 2225 87.699 89.497 7.196 1.00 0.00 WT1 H ATOM 9387 H2 TIP3 2225 87.080 88.167 7.570 1.00 0.00 WT1 H ATOM 9388 OH2 TIP3 2226 46.314 9.051 37.153 1.00 0.00 WT1 O ATOM 9389 H1 TIP3 2226 47.206 9.120 36.813 1.00 0.00 WT1 H ATOM 9390 H2 TIP3 2226 46.013 8.190 36.864 1.00 0.00 WT1 H ATOM 9391 OH2 TIP3 2227 64.052 85.285 -11.257 1.00 0.00 WT1 O ATOM 9392 H1 TIP3 2227 63.458 84.794 -10.690 1.00 0.00 WT1 H ATOM 9393 H2 TIP3 2227 64.447 84.622 -11.823 1.00 0.00 WT1 H ATOM 9394 OH2 TIP3 2228 77.067 13.755 2.886 1.00 0.00 WT1 O ATOM 9395 H1 TIP3 2228 76.852 14.285 2.118 1.00 0.00 WT1 H ATOM 9396 H2 TIP3 2228 76.928 14.343 3.629 1.00 0.00 WT1 H ATOM 9397 OH2 TIP3 2229 76.463 85.008 7.142 1.00 0.00 WT1 O ATOM 9398 H1 TIP3 2229 77.209 84.692 6.632 1.00 0.00 WT1 H ATOM 9399 H2 TIP3 2229 76.766 84.986 8.050 1.00 0.00 WT1 H ATOM 9400 OH2 TIP3 2231 46.454 86.384 65.904 1.00 0.00 WT1 O ATOM 9401 H1 TIP3 2231 46.761 86.750 65.075 1.00 0.00 WT1 H ATOM 9402 H2 TIP3 2231 46.235 85.475 65.699 1.00 0.00 WT1 H ATOM 9403 OH2 TIP3 2232 39.629 12.767 53.339 1.00 0.00 WT1 O ATOM 9404 H1 TIP3 2232 39.930 13.548 53.805 1.00 0.00 WT1 H ATOM 9405 H2 TIP3 2232 39.558 12.096 54.018 1.00 0.00 WT1 H ATOM 9406 OH2 TIP3 2233 53.257 81.256 29.281 1.00 0.00 WT1 O ATOM 9407 H1 TIP3 2233 52.800 81.819 28.657 1.00 0.00 WT1 H ATOM 9408 H2 TIP3 2233 52.688 80.492 29.378 1.00 0.00 WT1 H ATOM 9409 OH2 TIP3 2234 79.885 7.303 -3.029 1.00 0.00 WT1 O ATOM 9410 H1 TIP3 2234 80.564 6.683 -3.297 1.00 0.00 WT1 H ATOM 9411 H2 TIP3 2234 80.363 8.013 -2.602 1.00 0.00 WT1 H ATOM 9412 OH2 TIP3 2235 82.531 93.096 43.885 1.00 0.00 WT1 O ATOM 9413 H1 TIP3 2235 81.634 93.341 44.110 1.00 0.00 WT1 H ATOM 9414 H2 TIP3 2235 82.437 92.324 43.327 1.00 0.00 WT1 H ATOM 9415 OH2 TIP3 2236 24.235 12.761 64.180 1.00 0.00 WT1 O ATOM 9416 H1 TIP3 2236 24.713 13.137 64.919 1.00 0.00 WT1 H ATOM 9417 H2 TIP3 2236 23.432 13.279 64.126 1.00 0.00 WT1 H ATOM 9418 OH2 TIP3 2237 59.964 4.580 -14.546 1.00 0.00 WT1 O ATOM 9419 H1 TIP3 2237 60.202 3.883 -13.935 1.00 0.00 WT1 H ATOM 9420 H2 TIP3 2237 60.463 5.342 -14.248 1.00 0.00 WT1 H ATOM 9421 OH2 TIP3 2238 33.891 2.062 57.445 1.00 0.00 WT1 O ATOM 9422 H1 TIP3 2238 33.399 1.369 57.887 1.00 0.00 WT1 H ATOM 9423 H2 TIP3 2238 33.234 2.534 56.934 1.00 0.00 WT1 H ATOM 9424 OH2 TIP3 2240 68.753 71.894 -7.753 1.00 0.00 WT1 O ATOM 9425 H1 TIP3 2240 68.637 71.414 -6.933 1.00 0.00 WT1 H ATOM 9426 H2 TIP3 2240 69.072 71.237 -8.372 1.00 0.00 WT1 H ATOM 9427 OH2 TIP3 2241 85.744 80.177 33.144 1.00 0.00 WT1 O ATOM 9428 H1 TIP3 2241 86.414 79.499 33.228 1.00 0.00 WT1 H ATOM 9429 H2 TIP3 2241 85.849 80.511 32.253 1.00 0.00 WT1 H ATOM 9430 OH2 TIP3 2242 66.012 37.245 8.507 1.00 0.00 WT1 O ATOM 9431 H1 TIP3 2242 65.835 38.015 9.047 1.00 0.00 WT1 H ATOM 9432 H2 TIP3 2242 65.181 37.064 8.068 1.00 0.00 WT1 H ATOM 9433 OH2 TIP3 2243 38.454 0.720 61.612 1.00 0.00 WT1 O ATOM 9434 H1 TIP3 2243 39.233 0.191 61.785 1.00 0.00 WT1 H ATOM 9435 H2 TIP3 2243 38.782 1.618 61.561 1.00 0.00 WT1 H ATOM 9436 OH2 TIP3 2244 88.475 5.325 5.918 1.00 0.00 WT1 O ATOM 9437 H1 TIP3 2244 88.594 5.473 6.857 1.00 0.00 WT1 H ATOM 9438 H2 TIP3 2244 88.505 6.200 5.532 1.00 0.00 WT1 H ATOM 9439 OH2 TIP3 2245 53.742 12.498 -17.959 1.00 0.00 WT1 O ATOM 9440 H1 TIP3 2245 54.115 11.675 -17.644 1.00 0.00 WT1 H ATOM 9441 H2 TIP3 2245 53.264 12.258 -18.752 1.00 0.00 WT1 H ATOM 9442 OH2 TIP3 2246 34.953 47.758 42.061 1.00 0.00 WT1 O ATOM 9443 H1 TIP3 2246 35.320 46.981 41.641 1.00 0.00 WT1 H ATOM 9444 H2 TIP3 2246 34.528 47.425 42.852 1.00 0.00 WT1 H ATOM 9445 OH2 TIP3 2247 61.942 75.522 -0.352 1.00 0.00 WT1 O ATOM 9446 H1 TIP3 2247 62.048 76.118 0.389 1.00 0.00 WT1 H ATOM 9447 H2 TIP3 2247 61.406 74.806 -0.010 1.00 0.00 WT1 H ATOM 9448 OH2 TIP3 2248 85.837 88.734 0.190 1.00 0.00 WT1 O ATOM 9449 H1 TIP3 2248 86.428 88.487 0.901 1.00 0.00 WT1 H ATOM 9450 H2 TIP3 2248 84.981 88.407 0.466 1.00 0.00 WT1 H ATOM 9451 OH2 TIP3 2249 49.923 81.967 -18.035 1.00 0.00 WT1 O ATOM 9452 H1 TIP3 2249 49.756 81.666 -17.142 1.00 0.00 WT1 H ATOM 9453 H2 TIP3 2249 49.599 82.867 -18.050 1.00 0.00 WT1 H ATOM 9454 OH2 TIP3 2250 60.180 75.964 -17.124 1.00 0.00 WT1 O ATOM 9455 H1 TIP3 2250 60.298 75.784 -16.191 1.00 0.00 WT1 H ATOM 9456 H2 TIP3 2250 59.533 75.321 -17.413 1.00 0.00 WT1 H ATOM 9457 OH2 TIP3 2251 24.886 5.379 29.225 1.00 0.00 WT1 O ATOM 9458 H1 TIP3 2251 25.439 4.636 29.467 1.00 0.00 WT1 H ATOM 9459 H2 TIP3 2251 25.368 5.819 28.525 1.00 0.00 WT1 H ATOM 9460 OH2 TIP3 2252 36.152 34.791 64.866 1.00 0.00 WT1 O ATOM 9461 H1 TIP3 2252 35.429 34.304 64.470 1.00 0.00 WT1 H ATOM 9462 H2 TIP3 2252 36.313 35.515 64.260 1.00 0.00 WT1 H ATOM 9463 OH2 TIP3 2253 59.745 54.864 25.749 1.00 0.00 WT1 O ATOM 9464 H1 TIP3 2253 58.866 55.202 25.919 1.00 0.00 WT1 H ATOM 9465 H2 TIP3 2253 59.832 54.889 24.796 1.00 0.00 WT1 H ATOM 9466 OH2 TIP3 2254 88.222 0.536 60.188 1.00 0.00 WT1 O ATOM 9467 H1 TIP3 2254 88.142 1.255 60.816 1.00 0.00 WT1 H ATOM 9468 H2 TIP3 2254 88.886 -0.040 60.566 1.00 0.00 WT1 H ATOM 9469 OH2 TIP3 2255 44.864 38.194 -0.188 1.00 0.00 WT1 O ATOM 9470 H1 TIP3 2255 43.953 38.354 -0.434 1.00 0.00 WT1 H ATOM 9471 H2 TIP3 2255 44.871 38.267 0.766 1.00 0.00 WT1 H ATOM 9472 OH2 TIP3 2256 85.915 78.001 55.464 1.00 0.00 WT1 O ATOM 9473 H1 TIP3 2256 85.711 78.892 55.181 1.00 0.00 WT1 H ATOM 9474 H2 TIP3 2256 86.399 78.113 56.281 1.00 0.00 WT1 H ATOM 9475 OH2 TIP3 2257 44.791 77.948 -2.847 1.00 0.00 WT1 O ATOM 9476 H1 TIP3 2257 44.370 77.314 -3.428 1.00 0.00 WT1 H ATOM 9477 H2 TIP3 2257 45.648 78.103 -3.243 1.00 0.00 WT1 H ATOM 9478 OH2 TIP3 2258 67.434 67.804 -8.953 1.00 0.00 WT1 O ATOM 9479 H1 TIP3 2258 66.721 67.222 -8.690 1.00 0.00 WT1 H ATOM 9480 H2 TIP3 2258 67.013 68.652 -9.092 1.00 0.00 WT1 H ATOM 9481 OH2 TIP3 2259 25.064 88.317 36.915 1.00 0.00 WT1 O ATOM 9482 H1 TIP3 2259 25.574 88.688 37.635 1.00 0.00 WT1 H ATOM 9483 H2 TIP3 2259 25.159 87.370 37.016 1.00 0.00 WT1 H ATOM 9484 OH2 TIP3 2260 30.732 42.252 3.014 1.00 0.00 WT1 O ATOM 9485 H1 TIP3 2260 31.643 42.028 2.820 1.00 0.00 WT1 H ATOM 9486 H2 TIP3 2260 30.749 42.560 3.920 1.00 0.00 WT1 H ATOM 9487 OH2 TIP3 2261 55.019 75.612 36.002 1.00 0.00 WT1 O ATOM 9488 H1 TIP3 2261 54.748 74.839 35.507 1.00 0.00 WT1 H ATOM 9489 H2 TIP3 2261 54.211 75.944 36.392 1.00 0.00 WT1 H ATOM 9490 OH2 TIP3 2263 63.781 19.882 45.543 1.00 0.00 WT1 O ATOM 9491 H1 TIP3 2263 64.223 20.454 44.916 1.00 0.00 WT1 H ATOM 9492 H2 TIP3 2263 62.869 20.173 45.531 1.00 0.00 WT1 H ATOM 9493 OH2 TIP3 2264 68.933 70.160 45.638 1.00 0.00 WT1 O ATOM 9494 H1 TIP3 2264 68.351 70.907 45.502 1.00 0.00 WT1 H ATOM 9495 H2 TIP3 2264 69.738 70.396 45.177 1.00 0.00 WT1 H ATOM 9496 OH2 TIP3 2265 63.344 8.064 -10.580 1.00 0.00 WT1 O ATOM 9497 H1 TIP3 2265 63.274 7.763 -9.674 1.00 0.00 WT1 H ATOM 9498 H2 TIP3 2265 62.678 8.746 -10.659 1.00 0.00 WT1 H ATOM 9499 OH2 TIP3 2266 39.941 93.263 -13.305 1.00 0.00 WT1 O ATOM 9500 H1 TIP3 2266 40.513 93.199 -14.070 1.00 0.00 WT1 H ATOM 9501 H2 TIP3 2266 39.273 92.593 -13.448 1.00 0.00 WT1 H ATOM 9502 OH2 TIP3 2267 28.822 71.035 34.466 1.00 0.00 WT1 O ATOM 9503 H1 TIP3 2267 28.348 70.244 34.723 1.00 0.00 WT1 H ATOM 9504 H2 TIP3 2267 28.172 71.735 34.529 1.00 0.00 WT1 H ATOM 9505 OH2 TIP3 2268 80.160 50.241 48.645 1.00 0.00 WT1 O ATOM 9506 H1 TIP3 2268 80.194 51.187 48.790 1.00 0.00 WT1 H ATOM 9507 H2 TIP3 2268 80.451 50.128 47.740 1.00 0.00 WT1 H ATOM 9508 OH2 TIP3 2269 76.954 19.591 37.341 1.00 0.00 WT1 O ATOM 9509 H1 TIP3 2269 77.729 20.003 36.960 1.00 0.00 WT1 H ATOM 9510 H2 TIP3 2269 77.247 18.714 37.589 1.00 0.00 WT1 H ATOM 9511 OH2 TIP3 2270 53.955 15.048 -14.454 1.00 0.00 WT1 O ATOM 9512 H1 TIP3 2270 53.846 14.109 -14.603 1.00 0.00 WT1 H ATOM 9513 H2 TIP3 2270 54.043 15.422 -15.330 1.00 0.00 WT1 H ATOM 9514 OH2 TIP3 2271 62.598 0.061 50.414 1.00 0.00 WT1 O ATOM 9515 H1 TIP3 2271 62.680 0.653 51.162 1.00 0.00 WT1 H ATOM 9516 H2 TIP3 2271 61.666 0.077 50.196 1.00 0.00 WT1 H ATOM 9517 OH2 TIP3 2272 63.367 38.245 32.051 1.00 0.00 WT1 O ATOM 9518 H1 TIP3 2272 62.633 38.674 32.491 1.00 0.00 WT1 H ATOM 9519 H2 TIP3 2272 62.989 37.451 31.673 1.00 0.00 WT1 H ATOM 9520 OH2 TIP3 2273 80.883 82.634 66.584 1.00 0.00 WT1 O ATOM 9521 H1 TIP3 2273 79.983 82.740 66.278 1.00 0.00 WT1 H ATOM 9522 H2 TIP3 2273 81.423 82.929 65.851 1.00 0.00 WT1 H ATOM 9523 OH2 TIP3 2274 79.542 43.152 41.275 1.00 0.00 WT1 O ATOM 9524 H1 TIP3 2274 79.271 43.710 40.547 1.00 0.00 WT1 H ATOM 9525 H2 TIP3 2274 80.268 43.625 41.682 1.00 0.00 WT1 H ATOM 9526 OH2 TIP3 2275 38.703 17.555 0.682 1.00 0.00 WT1 O ATOM 9527 H1 TIP3 2275 39.203 17.185 -0.046 1.00 0.00 WT1 H ATOM 9528 H2 TIP3 2275 37.879 17.068 0.679 1.00 0.00 WT1 H ATOM 9529 OH2 TIP3 2276 53.784 30.332 59.703 1.00 0.00 WT1 O ATOM 9530 H1 TIP3 2276 53.438 31.154 59.355 1.00 0.00 WT1 H ATOM 9531 H2 TIP3 2276 53.007 29.832 59.954 1.00 0.00 WT1 H ATOM 9532 OH2 TIP3 2277 68.253 8.878 -11.011 1.00 0.00 WT1 O ATOM 9533 H1 TIP3 2277 67.809 8.485 -10.260 1.00 0.00 WT1 H ATOM 9534 H2 TIP3 2277 69.182 8.702 -10.860 1.00 0.00 WT1 H ATOM 9535 OH2 TIP3 2278 64.595 8.101 10.846 1.00 0.00 WT1 O ATOM 9536 H1 TIP3 2278 65.022 7.286 11.112 1.00 0.00 WT1 H ATOM 9537 H2 TIP3 2278 64.005 7.842 10.138 1.00 0.00 WT1 H ATOM 9538 OH2 TIP3 2279 25.182 21.281 20.550 1.00 0.00 WT1 O ATOM 9539 H1 TIP3 2279 26.119 21.220 20.735 1.00 0.00 WT1 H ATOM 9540 H2 TIP3 2279 25.035 20.652 19.844 1.00 0.00 WT1 H ATOM 9541 OH2 TIP3 2280 38.309 21.045 11.262 1.00 0.00 WT1 O ATOM 9542 H1 TIP3 2280 38.745 21.732 10.757 1.00 0.00 WT1 H ATOM 9543 H2 TIP3 2280 38.487 21.270 12.175 1.00 0.00 WT1 H ATOM 9544 OH2 TIP3 2281 70.222 27.416 48.892 1.00 0.00 WT1 O ATOM 9545 H1 TIP3 2281 70.503 26.705 49.468 1.00 0.00 WT1 H ATOM 9546 H2 TIP3 2281 70.301 28.205 49.428 1.00 0.00 WT1 H ATOM 9547 OH2 TIP3 2282 58.081 42.073 49.515 1.00 0.00 WT1 O ATOM 9548 H1 TIP3 2282 57.826 41.150 49.528 1.00 0.00 WT1 H ATOM 9549 H2 TIP3 2282 57.508 42.470 48.860 1.00 0.00 WT1 H ATOM 9550 OH2 TIP3 2283 34.955 24.048 9.147 1.00 0.00 WT1 O ATOM 9551 H1 TIP3 2283 34.223 24.400 8.642 1.00 0.00 WT1 H ATOM 9552 H2 TIP3 2283 34.897 24.489 9.995 1.00 0.00 WT1 H ATOM 9553 OH2 TIP3 2284 59.828 11.656 66.791 1.00 0.00 WT1 O ATOM 9554 H1 TIP3 2284 60.439 12.384 66.903 1.00 0.00 WT1 H ATOM 9555 H2 TIP3 2284 58.997 12.073 66.563 1.00 0.00 WT1 H ATOM 9556 OH2 TIP3 2285 54.813 64.711 58.724 1.00 0.00 WT1 O ATOM 9557 H1 TIP3 2285 54.408 64.368 57.927 1.00 0.00 WT1 H ATOM 9558 H2 TIP3 2285 54.941 63.941 59.278 1.00 0.00 WT1 H ATOM 9559 OH2 TIP3 2286 68.172 33.592 -1.638 1.00 0.00 WT1 O ATOM 9560 H1 TIP3 2286 67.256 33.690 -1.380 1.00 0.00 WT1 H ATOM 9561 H2 TIP3 2286 68.260 34.130 -2.424 1.00 0.00 WT1 H ATOM 9562 OH2 TIP3 2287 56.637 25.500 -17.296 1.00 0.00 WT1 O ATOM 9563 H1 TIP3 2287 56.321 26.392 -17.154 1.00 0.00 WT1 H ATOM 9564 H2 TIP3 2287 57.207 25.566 -18.061 1.00 0.00 WT1 H ATOM 9565 OH2 TIP3 2288 37.615 76.794 6.816 1.00 0.00 WT1 O ATOM 9566 H1 TIP3 2288 38.501 77.056 6.565 1.00 0.00 WT1 H ATOM 9567 H2 TIP3 2288 37.393 76.089 6.208 1.00 0.00 WT1 H ATOM 9568 OH2 TIP3 2289 68.228 20.773 33.332 1.00 0.00 WT1 O ATOM 9569 H1 TIP3 2289 68.971 20.198 33.516 1.00 0.00 WT1 H ATOM 9570 H2 TIP3 2289 68.624 21.576 32.995 1.00 0.00 WT1 H ATOM 9571 OH2 TIP3 2290 44.355 39.796 -15.092 1.00 0.00 WT1 O ATOM 9572 H1 TIP3 2290 43.543 39.990 -15.561 1.00 0.00 WT1 H ATOM 9573 H2 TIP3 2290 44.322 40.353 -14.314 1.00 0.00 WT1 H ATOM 9574 OH2 TIP3 2291 83.233 64.240 18.364 1.00 0.00 WT1 O ATOM 9575 H1 TIP3 2291 82.335 64.165 18.687 1.00 0.00 WT1 H ATOM 9576 H2 TIP3 2291 83.138 64.505 17.449 1.00 0.00 WT1 H ATOM 9577 OH2 TIP3 2292 36.888 2.723 3.031 1.00 0.00 WT1 O ATOM 9578 H1 TIP3 2292 36.221 2.159 3.421 1.00 0.00 WT1 H ATOM 9579 H2 TIP3 2292 36.398 3.465 2.677 1.00 0.00 WT1 H ATOM 9580 OH2 TIP3 2293 83.611 32.764 40.865 1.00 0.00 WT1 O ATOM 9581 H1 TIP3 2293 84.557 32.622 40.861 1.00 0.00 WT1 H ATOM 9582 H2 TIP3 2293 83.476 33.504 40.274 1.00 0.00 WT1 H ATOM 9583 OH2 TIP3 2294 75.695 25.478 25.138 1.00 0.00 WT1 O ATOM 9584 H1 TIP3 2294 76.447 26.002 25.415 1.00 0.00 WT1 H ATOM 9585 H2 TIP3 2294 75.535 24.883 25.871 1.00 0.00 WT1 H ATOM 9586 OH2 TIP3 2295 89.757 84.657 6.125 1.00 0.00 WT1 O ATOM 9587 H1 TIP3 2295 88.906 84.256 6.303 1.00 0.00 WT1 H ATOM 9588 H2 TIP3 2295 89.579 85.305 5.443 1.00 0.00 WT1 H ATOM 9589 OH2 TIP3 2296 54.583 38.046 4.062 1.00 0.00 WT1 O ATOM 9590 H1 TIP3 2296 55.468 38.342 4.277 1.00 0.00 WT1 H ATOM 9591 H2 TIP3 2296 54.374 37.403 4.740 1.00 0.00 WT1 H ATOM 9592 OH2 TIP3 2298 40.330 46.734 14.536 1.00 0.00 WT1 O ATOM 9593 H1 TIP3 2298 40.098 47.368 13.858 1.00 0.00 WT1 H ATOM 9594 H2 TIP3 2298 41.145 47.070 14.910 1.00 0.00 WT1 H ATOM 9595 OH2 TIP3 2299 48.466 40.110 -2.044 1.00 0.00 WT1 O ATOM 9596 H1 TIP3 2299 47.956 40.829 -1.670 1.00 0.00 WT1 H ATOM 9597 H2 TIP3 2299 47.809 39.479 -2.340 1.00 0.00 WT1 H ATOM 9598 OH2 TIP3 2300 25.844 45.457 17.633 1.00 0.00 WT1 O ATOM 9599 H1 TIP3 2300 26.070 46.252 18.116 1.00 0.00 WT1 H ATOM 9600 H2 TIP3 2300 25.588 44.830 18.308 1.00 0.00 WT1 H ATOM 9601 OH2 TIP3 2301 60.546 18.215 -4.516 1.00 0.00 WT1 O ATOM 9602 H1 TIP3 2301 60.683 17.294 -4.741 1.00 0.00 WT1 H ATOM 9603 H2 TIP3 2301 61.008 18.700 -5.199 1.00 0.00 WT1 H ATOM 9604 OH2 TIP3 2302 78.490 3.684 4.222 1.00 0.00 WT1 O ATOM 9605 H1 TIP3 2302 78.871 4.398 4.733 1.00 0.00 WT1 H ATOM 9606 H2 TIP3 2302 78.225 3.036 4.875 1.00 0.00 WT1 H ATOM 9607 OH2 TIP3 2303 32.349 82.504 39.334 1.00 0.00 WT1 O ATOM 9608 H1 TIP3 2303 32.427 82.674 40.273 1.00 0.00 WT1 H ATOM 9609 H2 TIP3 2303 32.757 83.264 38.919 1.00 0.00 WT1 H ATOM 9610 OH2 TIP3 2305 27.707 33.159 33.151 1.00 0.00 WT1 O ATOM 9611 H1 TIP3 2305 27.284 32.796 32.373 1.00 0.00 WT1 H ATOM 9612 H2 TIP3 2305 27.538 34.100 33.099 1.00 0.00 WT1 H ATOM 9613 OH2 TIP3 2306 62.875 13.141 -14.177 1.00 0.00 WT1 O ATOM 9614 H1 TIP3 2306 62.833 12.254 -14.534 1.00 0.00 WT1 H ATOM 9615 H2 TIP3 2306 62.083 13.224 -13.646 1.00 0.00 WT1 H ATOM 9616 OH2 TIP3 2307 59.080 8.357 -16.085 1.00 0.00 WT1 O ATOM 9617 H1 TIP3 2307 58.905 7.569 -16.600 1.00 0.00 WT1 H ATOM 9618 H2 TIP3 2307 58.831 8.120 -15.191 1.00 0.00 WT1 H ATOM 9619 OH2 TIP3 2308 54.477 12.909 -3.909 1.00 0.00 WT1 O ATOM 9620 H1 TIP3 2308 55.107 12.619 -3.249 1.00 0.00 WT1 H ATOM 9621 H2 TIP3 2308 54.473 13.863 -3.833 1.00 0.00 WT1 H ATOM 9622 OH2 TIP3 2309 38.674 83.719 36.158 1.00 0.00 WT1 O ATOM 9623 H1 TIP3 2309 38.035 83.008 36.108 1.00 0.00 WT1 H ATOM 9624 H2 TIP3 2309 39.310 83.519 35.470 1.00 0.00 WT1 H ATOM 9625 OH2 TIP3 2310 84.778 37.468 -3.892 1.00 0.00 WT1 O ATOM 9626 H1 TIP3 2310 85.680 37.343 -3.596 1.00 0.00 WT1 H ATOM 9627 H2 TIP3 2310 84.254 36.924 -3.304 1.00 0.00 WT1 H ATOM 9628 OH2 TIP3 2311 53.156 53.262 62.544 1.00 0.00 WT1 O ATOM 9629 H1 TIP3 2311 52.846 52.417 62.871 1.00 0.00 WT1 H ATOM 9630 H2 TIP3 2311 53.792 53.553 63.197 1.00 0.00 WT1 H ATOM 9631 OH2 TIP3 2313 83.901 75.138 48.581 1.00 0.00 WT1 O ATOM 9632 H1 TIP3 2313 84.571 75.691 48.983 1.00 0.00 WT1 H ATOM 9633 H2 TIP3 2313 83.309 74.917 49.300 1.00 0.00 WT1 H ATOM 9634 OH2 TIP3 2314 42.867 29.580 33.110 1.00 0.00 WT1 O ATOM 9635 H1 TIP3 2314 42.879 30.491 33.406 1.00 0.00 WT1 H ATOM 9636 H2 TIP3 2314 42.774 29.068 33.914 1.00 0.00 WT1 H ATOM 9637 OH2 TIP3 2315 71.865 4.231 39.186 1.00 0.00 WT1 O ATOM 9638 H1 TIP3 2315 72.804 4.358 39.051 1.00 0.00 WT1 H ATOM 9639 H2 TIP3 2315 71.731 4.400 40.118 1.00 0.00 WT1 H ATOM 9640 OH2 TIP3 2316 32.427 11.511 61.504 1.00 0.00 WT1 O ATOM 9641 H1 TIP3 2316 33.079 12.212 61.535 1.00 0.00 WT1 H ATOM 9642 H2 TIP3 2316 31.759 11.831 60.897 1.00 0.00 WT1 H ATOM 9643 OH2 TIP3 2317 63.628 83.569 23.569 1.00 0.00 WT1 O ATOM 9644 H1 TIP3 2317 63.550 83.098 22.740 1.00 0.00 WT1 H ATOM 9645 H2 TIP3 2317 63.776 82.884 24.221 1.00 0.00 WT1 H ATOM 9646 OH2 TIP3 2318 25.590 72.896 63.034 1.00 0.00 WT1 O ATOM 9647 H1 TIP3 2318 26.182 72.487 62.403 1.00 0.00 WT1 H ATOM 9648 H2 TIP3 2318 26.098 73.618 63.407 1.00 0.00 WT1 H ATOM 9649 OH2 TIP3 2319 88.314 89.987 38.514 1.00 0.00 WT1 O ATOM 9650 H1 TIP3 2319 88.174 89.106 38.168 1.00 0.00 WT1 H ATOM 9651 H2 TIP3 2319 89.168 90.248 38.169 1.00 0.00 WT1 H ATOM 9652 OH2 TIP3 2320 57.973 60.403 -17.750 1.00 0.00 WT1 O ATOM 9653 H1 TIP3 2320 58.565 59.673 -17.932 1.00 0.00 WT1 H ATOM 9654 H2 TIP3 2320 58.357 60.838 -16.988 1.00 0.00 WT1 H ATOM 9655 OH2 TIP3 2321 59.438 51.115 36.389 1.00 0.00 WT1 O ATOM 9656 H1 TIP3 2321 58.701 51.718 36.294 1.00 0.00 WT1 H ATOM 9657 H2 TIP3 2321 59.569 50.756 35.512 1.00 0.00 WT1 H ATOM 9658 OH2 TIP3 2322 71.671 39.211 64.718 1.00 0.00 WT1 O ATOM 9659 H1 TIP3 2322 71.335 39.979 65.180 1.00 0.00 WT1 H ATOM 9660 H2 TIP3 2322 71.023 38.527 64.887 1.00 0.00 WT1 H ATOM 9661 OH2 TIP3 2323 46.661 61.645 -9.756 1.00 0.00 WT1 O ATOM 9662 H1 TIP3 2323 45.894 62.038 -9.339 1.00 0.00 WT1 H ATOM 9663 H2 TIP3 2323 47.407 62.072 -9.336 1.00 0.00 WT1 H ATOM 9664 OH2 TIP3 2324 28.551 0.709 33.825 1.00 0.00 WT1 O ATOM 9665 H1 TIP3 2324 28.698 1.544 33.381 1.00 0.00 WT1 H ATOM 9666 H2 TIP3 2324 27.740 0.838 34.316 1.00 0.00 WT1 H ATOM 9667 OH2 TIP3 2326 46.392 75.020 -3.794 1.00 0.00 WT1 O ATOM 9668 H1 TIP3 2326 46.270 74.678 -2.909 1.00 0.00 WT1 H ATOM 9669 H2 TIP3 2326 47.315 74.858 -3.990 1.00 0.00 WT1 H ATOM 9670 OH2 TIP3 2327 63.543 1.261 43.800 1.00 0.00 WT1 O ATOM 9671 H1 TIP3 2327 64.201 0.886 43.214 1.00 0.00 WT1 H ATOM 9672 H2 TIP3 2327 62.883 0.574 43.891 1.00 0.00 WT1 H ATOM 9673 OH2 TIP3 2329 43.677 78.638 46.578 1.00 0.00 WT1 O ATOM 9674 H1 TIP3 2329 43.091 78.881 45.861 1.00 0.00 WT1 H ATOM 9675 H2 TIP3 2329 43.277 79.025 47.357 1.00 0.00 WT1 H ATOM 9676 OH2 TIP3 2330 75.491 19.751 -11.355 1.00 0.00 WT1 O ATOM 9677 H1 TIP3 2330 74.967 19.981 -10.588 1.00 0.00 WT1 H ATOM 9678 H2 TIP3 2330 76.246 20.339 -11.314 1.00 0.00 WT1 H ATOM 9679 OH2 TIP3 2331 42.478 88.175 61.809 1.00 0.00 WT1 O ATOM 9680 H1 TIP3 2331 43.098 88.899 61.896 1.00 0.00 WT1 H ATOM 9681 H2 TIP3 2331 41.617 88.594 61.811 1.00 0.00 WT1 H ATOM 9682 OH2 TIP3 2332 54.592 29.433 -19.001 1.00 0.00 WT1 O ATOM 9683 H1 TIP3 2332 53.650 29.598 -19.015 1.00 0.00 WT1 H ATOM 9684 H2 TIP3 2332 54.918 29.835 -19.806 1.00 0.00 WT1 H ATOM 9685 OH2 TIP3 2333 53.296 46.260 63.368 1.00 0.00 WT1 O ATOM 9686 H1 TIP3 2333 53.602 45.560 63.945 1.00 0.00 WT1 H ATOM 9687 H2 TIP3 2333 52.598 46.690 63.861 1.00 0.00 WT1 H ATOM 9688 OH2 TIP3 2334 61.969 8.114 59.974 1.00 0.00 WT1 O ATOM 9689 H1 TIP3 2334 61.427 7.678 60.632 1.00 0.00 WT1 H ATOM 9690 H2 TIP3 2334 62.100 8.998 60.319 1.00 0.00 WT1 H ATOM 9691 OH2 TIP3 2335 28.531 29.931 -4.073 1.00 0.00 WT1 O ATOM 9692 H1 TIP3 2335 28.302 30.106 -3.161 1.00 0.00 WT1 H ATOM 9693 H2 TIP3 2335 28.012 29.161 -4.307 1.00 0.00 WT1 H ATOM 9694 OH2 TIP3 2336 53.650 18.283 48.516 1.00 0.00 WT1 O ATOM 9695 H1 TIP3 2336 54.220 17.521 48.415 1.00 0.00 WT1 H ATOM 9696 H2 TIP3 2336 52.813 17.920 48.807 1.00 0.00 WT1 H ATOM 9697 OH2 TIP3 2337 52.262 44.324 20.916 1.00 0.00 WT1 O ATOM 9698 H1 TIP3 2337 53.052 44.863 20.950 1.00 0.00 WT1 H ATOM 9699 H2 TIP3 2337 51.797 44.629 20.136 1.00 0.00 WT1 H ATOM 9700 OH2 TIP3 2338 71.773 38.003 55.168 1.00 0.00 WT1 O ATOM 9701 H1 TIP3 2338 71.740 38.708 54.521 1.00 0.00 WT1 H ATOM 9702 H2 TIP3 2338 71.921 37.211 54.652 1.00 0.00 WT1 H ATOM 9703 OH2 TIP3 2339 62.354 43.470 4.141 1.00 0.00 WT1 O ATOM 9704 H1 TIP3 2339 62.902 43.992 4.728 1.00 0.00 WT1 H ATOM 9705 H2 TIP3 2339 61.469 43.566 4.492 1.00 0.00 WT1 H ATOM 9706 OH2 TIP3 2340 66.516 21.651 14.664 1.00 0.00 WT1 O ATOM 9707 H1 TIP3 2340 66.201 22.038 13.847 1.00 0.00 WT1 H ATOM 9708 H2 TIP3 2340 65.839 21.863 15.306 1.00 0.00 WT1 H ATOM 9709 OH2 TIP3 2341 47.263 55.100 -7.157 1.00 0.00 WT1 O ATOM 9710 H1 TIP3 2341 47.907 55.594 -6.649 1.00 0.00 WT1 H ATOM 9711 H2 TIP3 2341 46.455 55.606 -7.078 1.00 0.00 WT1 H ATOM 9712 OH2 TIP3 2342 20.700 12.435 62.232 1.00 0.00 WT1 O ATOM 9713 H1 TIP3 2342 21.312 13.120 62.502 1.00 0.00 WT1 H ATOM 9714 H2 TIP3 2342 20.326 12.110 63.051 1.00 0.00 WT1 H ATOM 9715 OH2 TIP3 2344 64.114 0.818 66.628 1.00 0.00 WT1 O ATOM 9716 H1 TIP3 2344 64.646 0.961 67.410 1.00 0.00 WT1 H ATOM 9717 H2 TIP3 2344 63.345 0.344 66.944 1.00 0.00 WT1 H ATOM 9718 OH2 TIP3 2345 70.378 42.372 50.007 1.00 0.00 WT1 O ATOM 9719 H1 TIP3 2345 70.972 42.685 50.689 1.00 0.00 WT1 H ATOM 9720 H2 TIP3 2345 70.956 42.057 49.312 1.00 0.00 WT1 H ATOM 9721 OH2 TIP3 2346 27.677 12.477 -19.209 1.00 0.00 WT1 O ATOM 9722 H1 TIP3 2346 27.558 12.425 -18.261 1.00 0.00 WT1 H ATOM 9723 H2 TIP3 2346 27.280 11.674 -19.545 1.00 0.00 WT1 H ATOM 9724 OH2 TIP3 2347 45.912 20.788 47.073 1.00 0.00 WT1 O ATOM 9725 H1 TIP3 2347 45.749 21.729 47.011 1.00 0.00 WT1 H ATOM 9726 H2 TIP3 2347 45.780 20.462 46.183 1.00 0.00 WT1 H ATOM 9727 OH2 TIP3 2348 78.457 7.606 -16.358 1.00 0.00 WT1 O ATOM 9728 H1 TIP3 2348 78.379 6.730 -16.736 1.00 0.00 WT1 H ATOM 9729 H2 TIP3 2348 78.468 7.460 -15.413 1.00 0.00 WT1 H ATOM 9730 OH2 TIP3 2349 46.885 82.777 37.804 1.00 0.00 WT1 O ATOM 9731 H1 TIP3 2349 47.812 82.978 37.670 1.00 0.00 WT1 H ATOM 9732 H2 TIP3 2349 46.773 81.903 37.430 1.00 0.00 WT1 H ATOM 9733 OH2 TIP3 2350 70.724 92.952 62.002 1.00 0.00 WT1 O ATOM 9734 H1 TIP3 2350 71.047 93.688 62.522 1.00 0.00 WT1 H ATOM 9735 H2 TIP3 2350 69.781 92.939 62.166 1.00 0.00 WT1 H ATOM 9736 OH2 TIP3 2351 88.275 22.239 63.640 1.00 0.00 WT1 O ATOM 9737 H1 TIP3 2351 87.445 22.631 63.911 1.00 0.00 WT1 H ATOM 9738 H2 TIP3 2351 88.532 22.733 62.862 1.00 0.00 WT1 H ATOM 9739 OH2 TIP3 2352 51.948 20.380 58.034 1.00 0.00 WT1 O ATOM 9740 H1 TIP3 2352 52.543 19.899 57.458 1.00 0.00 WT1 H ATOM 9741 H2 TIP3 2352 52.503 21.028 58.467 1.00 0.00 WT1 H ATOM 9742 OH2 TIP3 2353 48.935 4.823 42.142 1.00 0.00 WT1 O ATOM 9743 H1 TIP3 2353 49.241 4.186 42.788 1.00 0.00 WT1 H ATOM 9744 H2 TIP3 2353 49.711 5.340 41.928 1.00 0.00 WT1 H ATOM 9745 OH2 TIP3 2354 68.881 71.366 13.063 1.00 0.00 WT1 O ATOM 9746 H1 TIP3 2354 68.382 70.926 13.750 1.00 0.00 WT1 H ATOM 9747 H2 TIP3 2354 68.440 71.117 12.250 1.00 0.00 WT1 H ATOM 9748 OH2 TIP3 2355 62.801 56.275 23.390 1.00 0.00 WT1 O ATOM 9749 H1 TIP3 2355 62.679 55.366 23.665 1.00 0.00 WT1 H ATOM 9750 H2 TIP3 2355 61.963 56.698 23.577 1.00 0.00 WT1 H ATOM 9751 OH2 TIP3 2356 62.756 92.837 33.230 1.00 0.00 WT1 O ATOM 9752 H1 TIP3 2356 62.404 92.940 34.115 1.00 0.00 WT1 H ATOM 9753 H2 TIP3 2356 62.520 91.944 32.981 1.00 0.00 WT1 H ATOM 9754 OH2 TIP3 2357 65.694 77.237 -7.783 1.00 0.00 WT1 O ATOM 9755 H1 TIP3 2357 65.970 78.004 -7.281 1.00 0.00 WT1 H ATOM 9756 H2 TIP3 2357 66.510 76.854 -8.105 1.00 0.00 WT1 H ATOM 9757 OH2 TIP3 2358 71.143 68.002 43.830 1.00 0.00 WT1 O ATOM 9758 H1 TIP3 2358 71.839 67.494 44.245 1.00 0.00 WT1 H ATOM 9759 H2 TIP3 2358 70.510 67.347 43.537 1.00 0.00 WT1 H ATOM 9760 OH2 TIP3 2359 50.118 44.273 -8.167 1.00 0.00 WT1 O ATOM 9761 H1 TIP3 2359 50.635 44.446 -8.954 1.00 0.00 WT1 H ATOM 9762 H2 TIP3 2359 50.030 45.128 -7.745 1.00 0.00 WT1 H ATOM 9763 OH2 TIP3 2360 26.183 88.790 9.926 1.00 0.00 WT1 O ATOM 9764 H1 TIP3 2360 26.231 89.655 10.332 1.00 0.00 WT1 H ATOM 9765 H2 TIP3 2360 27.002 88.362 10.175 1.00 0.00 WT1 H ATOM 9766 OH2 TIP3 2361 22.877 4.344 -18.128 1.00 0.00 WT1 O ATOM 9767 H1 TIP3 2361 22.421 3.888 -18.836 1.00 0.00 WT1 H ATOM 9768 H2 TIP3 2361 22.489 3.992 -17.327 1.00 0.00 WT1 H ATOM 9769 OH2 TIP3 2362 59.097 62.872 -12.017 1.00 0.00 WT1 O ATOM 9770 H1 TIP3 2362 58.483 62.165 -12.219 1.00 0.00 WT1 H ATOM 9771 H2 TIP3 2362 59.034 62.981 -11.068 1.00 0.00 WT1 H ATOM 9772 OH2 TIP3 2363 72.191 35.055 -14.579 1.00 0.00 WT1 O ATOM 9773 H1 TIP3 2363 73.050 35.478 -14.577 1.00 0.00 WT1 H ATOM 9774 H2 TIP3 2363 71.831 35.240 -13.712 1.00 0.00 WT1 H ATOM 9775 OH2 TIP3 2367 37.419 8.765 23.767 1.00 0.00 WT1 O ATOM 9776 H1 TIP3 2367 38.166 8.750 23.170 1.00 0.00 WT1 H ATOM 9777 H2 TIP3 2367 37.245 9.695 23.912 1.00 0.00 WT1 H ATOM 9778 OH2 TIP3 2369 37.353 60.540 43.240 1.00 0.00 WT1 O ATOM 9779 H1 TIP3 2369 37.695 61.434 43.248 1.00 0.00 WT1 H ATOM 9780 H2 TIP3 2369 37.996 60.033 43.737 1.00 0.00 WT1 H ATOM 9781 OH2 TIP3 2370 87.213 49.084 20.121 1.00 0.00 WT1 O ATOM 9782 H1 TIP3 2370 88.162 49.210 20.140 1.00 0.00 WT1 H ATOM 9783 H2 TIP3 2370 86.925 49.549 19.336 1.00 0.00 WT1 H ATOM 9784 OH2 TIP3 2371 36.355 38.343 46.821 1.00 0.00 WT1 O ATOM 9785 H1 TIP3 2371 36.330 37.474 46.420 1.00 0.00 WT1 H ATOM 9786 H2 TIP3 2371 35.465 38.680 46.718 1.00 0.00 WT1 H ATOM 9787 OH2 TIP3 2372 85.047 32.734 65.275 1.00 0.00 WT1 O ATOM 9788 H1 TIP3 2372 85.459 32.416 64.472 1.00 0.00 WT1 H ATOM 9789 H2 TIP3 2372 84.732 33.610 65.052 1.00 0.00 WT1 H ATOM 9790 OH2 TIP3 2373 48.364 45.488 34.575 1.00 0.00 WT1 O ATOM 9791 H1 TIP3 2373 49.189 45.955 34.709 1.00 0.00 WT1 H ATOM 9792 H2 TIP3 2373 48.625 44.576 34.441 1.00 0.00 WT1 H ATOM 9793 OH2 TIP3 2374 44.671 18.547 18.134 1.00 0.00 WT1 O ATOM 9794 H1 TIP3 2374 45.415 19.130 18.290 1.00 0.00 WT1 H ATOM 9795 H2 TIP3 2374 43.929 18.990 18.544 1.00 0.00 WT1 H ATOM 9796 OH2 TIP3 2375 53.121 4.385 40.848 1.00 0.00 WT1 O ATOM 9797 H1 TIP3 2375 53.146 5.102 40.214 1.00 0.00 WT1 H ATOM 9798 H2 TIP3 2375 53.855 4.560 41.438 1.00 0.00 WT1 H ATOM 9799 OH2 TIP3 2376 84.304 64.934 -18.744 1.00 0.00 WT1 O ATOM 9800 H1 TIP3 2376 83.624 65.498 -19.111 1.00 0.00 WT1 H ATOM 9801 H2 TIP3 2376 83.865 64.457 -18.039 1.00 0.00 WT1 H ATOM 9802 OH2 TIP3 2377 61.925 95.213 32.059 1.00 0.00 WT1 O ATOM 9803 H1 TIP3 2377 61.570 95.388 31.188 1.00 0.00 WT1 H ATOM 9804 H2 TIP3 2377 62.234 94.308 32.014 1.00 0.00 WT1 H ATOM 9805 OH2 TIP3 2379 59.022 5.664 -17.077 1.00 0.00 WT1 O ATOM 9806 H1 TIP3 2379 59.776 5.555 -17.656 1.00 0.00 WT1 H ATOM 9807 H2 TIP3 2379 59.253 5.175 -16.288 1.00 0.00 WT1 H ATOM 9808 OH2 TIP3 2380 44.116 11.464 -13.555 1.00 0.00 WT1 O ATOM 9809 H1 TIP3 2380 44.953 11.904 -13.405 1.00 0.00 WT1 H ATOM 9810 H2 TIP3 2380 43.474 12.009 -13.099 1.00 0.00 WT1 H ATOM 9811 OH2 TIP3 2381 44.857 15.801 6.250 1.00 0.00 WT1 O ATOM 9812 H1 TIP3 2381 45.318 15.244 6.877 1.00 0.00 WT1 H ATOM 9813 H2 TIP3 2381 43.930 15.644 6.426 1.00 0.00 WT1 H ATOM 9814 OH2 TIP3 2382 76.497 1.391 36.114 1.00 0.00 WT1 O ATOM 9815 H1 TIP3 2382 76.264 1.257 37.033 1.00 0.00 WT1 H ATOM 9816 H2 TIP3 2382 76.150 0.622 35.664 1.00 0.00 WT1 H ATOM 9817 OH2 TIP3 2383 54.209 81.740 42.857 1.00 0.00 WT1 O ATOM 9818 H1 TIP3 2383 53.778 82.219 42.149 1.00 0.00 WT1 H ATOM 9819 H2 TIP3 2383 55.097 81.584 42.536 1.00 0.00 WT1 H ATOM 9820 OH2 TIP3 2384 77.780 81.728 41.856 1.00 0.00 WT1 O ATOM 9821 H1 TIP3 2384 77.523 81.482 42.744 1.00 0.00 WT1 H ATOM 9822 H2 TIP3 2384 77.046 82.248 41.529 1.00 0.00 WT1 H ATOM 9823 OH2 TIP3 2385 30.800 96.750 -10.018 1.00 0.00 WT1 O ATOM 9824 H1 TIP3 2385 31.285 96.484 -10.799 1.00 0.00 WT1 H ATOM 9825 H2 TIP3 2385 29.909 96.436 -10.170 1.00 0.00 WT1 H ATOM 9826 OH2 TIP3 2386 56.092 75.871 59.417 1.00 0.00 WT1 O ATOM 9827 H1 TIP3 2386 55.589 76.123 60.191 1.00 0.00 WT1 H ATOM 9828 H2 TIP3 2386 56.659 75.162 59.719 1.00 0.00 WT1 H ATOM 9829 OH2 TIP3 2387 80.775 24.034 40.591 1.00 0.00 WT1 O ATOM 9830 H1 TIP3 2387 79.990 23.649 40.201 1.00 0.00 WT1 H ATOM 9831 H2 TIP3 2387 80.452 24.785 41.089 1.00 0.00 WT1 H ATOM 9832 OH2 TIP3 2389 27.936 90.449 41.922 1.00 0.00 WT1 O ATOM 9833 H1 TIP3 2389 28.151 90.006 42.743 1.00 0.00 WT1 H ATOM 9834 H2 TIP3 2389 27.024 90.213 41.753 1.00 0.00 WT1 H ATOM 9835 OH2 TIP3 2390 88.537 53.276 48.521 1.00 0.00 WT1 O ATOM 9836 H1 TIP3 2390 88.094 52.445 48.346 1.00 0.00 WT1 H ATOM 9837 H2 TIP3 2390 89.441 53.128 48.243 1.00 0.00 WT1 H ATOM 9838 OH2 TIP3 2391 59.282 42.388 38.507 1.00 0.00 WT1 O ATOM 9839 H1 TIP3 2391 59.815 43.175 38.621 1.00 0.00 WT1 H ATOM 9840 H2 TIP3 2391 58.425 42.625 38.862 1.00 0.00 WT1 H ATOM 9841 OH2 TIP3 2392 74.019 29.683 29.945 1.00 0.00 WT1 O ATOM 9842 H1 TIP3 2392 74.934 29.925 29.801 1.00 0.00 WT1 H ATOM 9843 H2 TIP3 2392 73.682 30.358 30.534 1.00 0.00 WT1 H ATOM 9844 OH2 TIP3 2393 75.910 0.821 38.698 1.00 0.00 WT1 O ATOM 9845 H1 TIP3 2393 76.549 0.926 39.403 1.00 0.00 WT1 H ATOM 9846 H2 TIP3 2393 75.073 0.705 39.149 1.00 0.00 WT1 H ATOM 9847 OH2 TIP3 2394 89.655 75.654 55.896 1.00 0.00 WT1 O ATOM 9848 H1 TIP3 2394 90.279 75.881 55.207 1.00 0.00 WT1 H ATOM 9849 H2 TIP3 2394 89.894 74.764 56.153 1.00 0.00 WT1 H ATOM 9850 OH2 TIP3 2395 29.594 47.607 32.236 1.00 0.00 WT1 O ATOM 9851 H1 TIP3 2395 29.526 46.652 32.227 1.00 0.00 WT1 H ATOM 9852 H2 TIP3 2395 29.339 47.874 31.353 1.00 0.00 WT1 H ATOM 9853 OH2 TIP3 2396 22.096 60.503 -4.477 1.00 0.00 WT1 O ATOM 9854 H1 TIP3 2396 21.542 60.918 -3.816 1.00 0.00 WT1 H ATOM 9855 H2 TIP3 2396 22.990 60.644 -4.164 1.00 0.00 WT1 H ATOM 9856 OH2 TIP3 2397 68.911 31.758 64.582 1.00 0.00 WT1 O ATOM 9857 H1 TIP3 2397 69.054 32.332 63.830 1.00 0.00 WT1 H ATOM 9858 H2 TIP3 2397 69.369 32.190 65.303 1.00 0.00 WT1 H ATOM 9859 OH2 TIP3 2398 55.124 12.155 -7.915 1.00 0.00 WT1 O ATOM 9860 H1 TIP3 2398 55.681 12.005 -7.151 1.00 0.00 WT1 H ATOM 9861 H2 TIP3 2398 55.087 11.307 -8.356 1.00 0.00 WT1 H ATOM 9862 OH2 TIP3 2399 72.015 53.277 17.897 1.00 0.00 WT1 O ATOM 9863 H1 TIP3 2399 72.761 52.769 17.579 1.00 0.00 WT1 H ATOM 9864 H2 TIP3 2399 71.571 53.576 17.104 1.00 0.00 WT1 H ATOM 9865 OH2 TIP3 2400 32.343 59.232 -11.078 1.00 0.00 WT1 O ATOM 9866 H1 TIP3 2400 32.566 58.819 -10.244 1.00 0.00 WT1 H ATOM 9867 H2 TIP3 2400 33.158 59.214 -11.580 1.00 0.00 WT1 H ATOM 9868 OH2 TIP3 2401 42.147 2.440 -12.194 1.00 0.00 WT1 O ATOM 9869 H1 TIP3 2401 42.776 3.140 -12.020 1.00 0.00 WT1 H ATOM 9870 H2 TIP3 2401 42.416 2.079 -13.039 1.00 0.00 WT1 H ATOM 9871 OH2 TIP3 2402 82.172 39.436 -7.777 1.00 0.00 WT1 O ATOM 9872 H1 TIP3 2402 82.447 38.950 -6.999 1.00 0.00 WT1 H ATOM 9873 H2 TIP3 2402 81.447 39.983 -7.475 1.00 0.00 WT1 H ATOM 9874 OH2 TIP3 2403 43.291 37.074 32.244 1.00 0.00 WT1 O ATOM 9875 H1 TIP3 2403 44.094 37.383 31.825 1.00 0.00 WT1 H ATOM 9876 H2 TIP3 2403 42.907 36.469 31.610 1.00 0.00 WT1 H ATOM 9877 OH2 TIP3 2404 45.134 38.751 2.574 1.00 0.00 WT1 O ATOM 9878 H1 TIP3 2404 45.254 39.619 2.958 1.00 0.00 WT1 H ATOM 9879 H2 TIP3 2404 45.448 38.146 3.246 1.00 0.00 WT1 H ATOM 9880 OH2 TIP3 2405 41.232 6.857 50.590 1.00 0.00 WT1 O ATOM 9881 H1 TIP3 2405 40.708 6.061 50.675 1.00 0.00 WT1 H ATOM 9882 H2 TIP3 2405 41.656 6.957 51.443 1.00 0.00 WT1 H ATOM 9883 OH2 TIP3 2406 53.695 34.053 -16.478 1.00 0.00 WT1 O ATOM 9884 H1 TIP3 2406 53.144 33.700 -17.176 1.00 0.00 WT1 H ATOM 9885 H2 TIP3 2406 53.359 34.938 -16.331 1.00 0.00 WT1 H ATOM 9886 OH2 TIP3 2407 27.872 21.442 4.516 1.00 0.00 WT1 O ATOM 9887 H1 TIP3 2407 28.221 21.596 5.394 1.00 0.00 WT1 H ATOM 9888 H2 TIP3 2407 28.349 22.057 3.958 1.00 0.00 WT1 H ATOM 9889 OH2 TIP3 2408 53.992 18.066 30.799 1.00 0.00 WT1 O ATOM 9890 H1 TIP3 2408 53.563 17.371 30.301 1.00 0.00 WT1 H ATOM 9891 H2 TIP3 2408 54.826 18.203 30.352 1.00 0.00 WT1 H ATOM 9892 OH2 TIP3 2409 76.473 13.484 59.111 1.00 0.00 WT1 O ATOM 9893 H1 TIP3 2409 75.943 13.682 59.882 1.00 0.00 WT1 H ATOM 9894 H2 TIP3 2409 75.869 13.050 58.509 1.00 0.00 WT1 H ATOM 9895 OH2 TIP3 2410 85.180 43.919 -5.231 1.00 0.00 WT1 O ATOM 9896 H1 TIP3 2410 85.393 43.712 -4.321 1.00 0.00 WT1 H ATOM 9897 H2 TIP3 2410 84.505 43.284 -5.470 1.00 0.00 WT1 H ATOM 9898 OH2 TIP3 2411 66.854 25.565 29.051 1.00 0.00 WT1 O ATOM 9899 H1 TIP3 2411 65.930 25.790 28.944 1.00 0.00 WT1 H ATOM 9900 H2 TIP3 2411 67.169 25.411 28.160 1.00 0.00 WT1 H ATOM 9901 OH2 TIP3 2412 37.883 13.299 2.120 1.00 0.00 WT1 O ATOM 9902 H1 TIP3 2412 37.069 13.746 2.351 1.00 0.00 WT1 H ATOM 9903 H2 TIP3 2412 37.998 13.477 1.187 1.00 0.00 WT1 H ATOM 9904 OH2 TIP3 2413 29.928 24.447 54.452 1.00 0.00 WT1 O ATOM 9905 H1 TIP3 2413 30.255 25.153 53.895 1.00 0.00 WT1 H ATOM 9906 H2 TIP3 2413 30.717 24.021 54.788 1.00 0.00 WT1 H ATOM 9907 OH2 TIP3 2414 47.079 75.138 -17.307 1.00 0.00 WT1 O ATOM 9908 H1 TIP3 2414 46.869 74.402 -17.882 1.00 0.00 WT1 H ATOM 9909 H2 TIP3 2414 47.179 75.884 -17.899 1.00 0.00 WT1 H ATOM 9910 OH2 TIP3 2415 86.266 52.842 10.783 1.00 0.00 WT1 O ATOM 9911 H1 TIP3 2415 85.790 53.545 11.226 1.00 0.00 WT1 H ATOM 9912 H2 TIP3 2415 86.971 52.612 11.388 1.00 0.00 WT1 H ATOM 9913 OH2 TIP3 2416 88.244 42.961 -8.501 1.00 0.00 WT1 O ATOM 9914 H1 TIP3 2416 88.274 43.730 -7.933 1.00 0.00 WT1 H ATOM 9915 H2 TIP3 2416 87.352 42.953 -8.847 1.00 0.00 WT1 H ATOM 9916 OH2 TIP3 2417 62.066 6.402 65.546 1.00 0.00 WT1 O ATOM 9917 H1 TIP3 2417 61.978 6.869 66.377 1.00 0.00 WT1 H ATOM 9918 H2 TIP3 2417 61.577 6.935 64.919 1.00 0.00 WT1 H ATOM 9919 OH2 TIP3 2418 76.757 23.523 -12.486 1.00 0.00 WT1 O ATOM 9920 H1 TIP3 2418 77.165 24.338 -12.192 1.00 0.00 WT1 H ATOM 9921 H2 TIP3 2418 77.090 22.857 -11.885 1.00 0.00 WT1 H ATOM 9922 OH2 TIP3 2419 25.245 49.622 43.395 1.00 0.00 WT1 O ATOM 9923 H1 TIP3 2419 24.490 50.126 43.698 1.00 0.00 WT1 H ATOM 9924 H2 TIP3 2419 25.517 49.114 44.159 1.00 0.00 WT1 H ATOM 9925 OH2 TIP3 2420 73.669 43.494 -4.016 1.00 0.00 WT1 O ATOM 9926 H1 TIP3 2420 72.990 44.081 -3.684 1.00 0.00 WT1 H ATOM 9927 H2 TIP3 2420 74.243 43.342 -3.265 1.00 0.00 WT1 H ATOM 9928 OH2 TIP3 2421 67.304 46.177 43.199 1.00 0.00 WT1 O ATOM 9929 H1 TIP3 2421 67.925 46.345 42.490 1.00 0.00 WT1 H ATOM 9930 H2 TIP3 2421 66.600 46.809 43.055 1.00 0.00 WT1 H ATOM 9931 OH2 TIP3 2422 39.030 93.868 31.921 1.00 0.00 WT1 O ATOM 9932 H1 TIP3 2422 39.777 94.457 32.017 1.00 0.00 WT1 H ATOM 9933 H2 TIP3 2422 39.420 93.010 31.753 1.00 0.00 WT1 H ATOM 9934 OH2 TIP3 2423 42.504 60.280 7.244 1.00 0.00 WT1 O ATOM 9935 H1 TIP3 2423 42.093 59.454 7.500 1.00 0.00 WT1 H ATOM 9936 H2 TIP3 2423 42.939 60.588 8.039 1.00 0.00 WT1 H ATOM 9937 OH2 TIP3 2425 38.337 20.099 -13.447 1.00 0.00 WT1 O ATOM 9938 H1 TIP3 2425 37.598 20.277 -12.865 1.00 0.00 WT1 H ATOM 9939 H2 TIP3 2425 38.838 19.419 -12.998 1.00 0.00 WT1 H ATOM 9940 OH2 TIP3 2426 88.366 74.079 8.139 1.00 0.00 WT1 O ATOM 9941 H1 TIP3 2426 87.855 73.274 8.056 1.00 0.00 WT1 H ATOM 9942 H2 TIP3 2426 88.500 74.182 9.081 1.00 0.00 WT1 H ATOM 9943 OH2 TIP3 2427 25.129 19.282 18.600 1.00 0.00 WT1 O ATOM 9944 H1 TIP3 2427 25.855 19.041 18.025 1.00 0.00 WT1 H ATOM 9945 H2 TIP3 2427 24.357 18.895 18.186 1.00 0.00 WT1 H ATOM 9946 OH2 TIP3 2429 80.049 88.219 37.514 1.00 0.00 WT1 O ATOM 9947 H1 TIP3 2429 79.389 87.929 36.883 1.00 0.00 WT1 H ATOM 9948 H2 TIP3 2429 80.884 87.966 37.120 1.00 0.00 WT1 H ATOM 9949 OH2 TIP3 2430 54.955 59.319 55.459 1.00 0.00 WT1 O ATOM 9950 H1 TIP3 2430 55.870 59.335 55.739 1.00 0.00 WT1 H ATOM 9951 H2 TIP3 2430 54.997 59.248 54.505 1.00 0.00 WT1 H ATOM 9952 OH2 TIP3 2431 30.974 89.729 35.538 1.00 0.00 WT1 O ATOM 9953 H1 TIP3 2431 30.414 89.982 36.272 1.00 0.00 WT1 H ATOM 9954 H2 TIP3 2431 31.287 88.853 35.767 1.00 0.00 WT1 H ATOM 9955 OH2 TIP3 2432 74.499 1.979 16.330 1.00 0.00 WT1 O ATOM 9956 H1 TIP3 2432 74.802 1.129 16.650 1.00 0.00 WT1 H ATOM 9957 H2 TIP3 2432 75.302 2.481 16.188 1.00 0.00 WT1 H ATOM 9958 OH2 TIP3 2433 82.552 61.193 46.147 1.00 0.00 WT1 O ATOM 9959 H1 TIP3 2433 83.198 60.678 45.664 1.00 0.00 WT1 H ATOM 9960 H2 TIP3 2433 82.544 62.043 45.706 1.00 0.00 WT1 H ATOM 9961 OH2 TIP3 2434 38.872 23.040 55.607 1.00 0.00 WT1 O ATOM 9962 H1 TIP3 2434 39.744 22.937 55.987 1.00 0.00 WT1 H ATOM 9963 H2 TIP3 2434 38.919 23.862 55.118 1.00 0.00 WT1 H ATOM 9964 OH2 TIP3 2435 72.092 15.519 59.931 1.00 0.00 WT1 O ATOM 9965 H1 TIP3 2435 71.214 15.255 59.655 1.00 0.00 WT1 H ATOM 9966 H2 TIP3 2435 72.653 15.302 59.187 1.00 0.00 WT1 H ATOM 9967 OH2 TIP3 2436 47.199 21.986 65.726 1.00 0.00 WT1 O ATOM 9968 H1 TIP3 2436 47.131 22.856 65.334 1.00 0.00 WT1 H ATOM 9969 H2 TIP3 2436 47.868 21.540 65.206 1.00 0.00 WT1 H ATOM 9970 OH2 TIP3 2437 34.528 17.206 34.166 1.00 0.00 WT1 O ATOM 9971 H1 TIP3 2437 33.636 17.470 33.937 1.00 0.00 WT1 H ATOM 9972 H2 TIP3 2437 35.044 18.008 34.081 1.00 0.00 WT1 H ATOM 9973 OH2 TIP3 2438 42.442 28.862 2.162 1.00 0.00 WT1 O ATOM 9974 H1 TIP3 2438 42.869 29.688 1.935 1.00 0.00 WT1 H ATOM 9975 H2 TIP3 2438 42.297 28.428 1.321 1.00 0.00 WT1 H ATOM 9976 OH2 TIP3 2439 34.859 33.027 -11.624 1.00 0.00 WT1 O ATOM 9977 H1 TIP3 2439 35.752 33.349 -11.500 1.00 0.00 WT1 H ATOM 9978 H2 TIP3 2439 34.640 33.268 -12.524 1.00 0.00 WT1 H ATOM 9979 OH2 TIP3 2440 24.888 32.651 22.439 1.00 0.00 WT1 O ATOM 9980 H1 TIP3 2440 25.750 33.057 22.524 1.00 0.00 WT1 H ATOM 9981 H2 TIP3 2440 24.656 32.768 21.518 1.00 0.00 WT1 H ATOM 9982 OH2 TIP3 2441 29.811 29.642 31.579 1.00 0.00 WT1 O ATOM 9983 H1 TIP3 2441 29.139 30.044 32.131 1.00 0.00 WT1 H ATOM 9984 H2 TIP3 2441 30.604 30.145 31.762 1.00 0.00 WT1 H ATOM 9985 OH2 TIP3 2442 48.235 9.419 -1.293 1.00 0.00 WT1 O ATOM 9986 H1 TIP3 2442 47.394 9.850 -1.443 1.00 0.00 WT1 H ATOM 9987 H2 TIP3 2442 48.118 8.946 -0.469 1.00 0.00 WT1 H ATOM 9988 OH2 TIP3 2443 27.570 66.398 44.183 1.00 0.00 WT1 O ATOM 9989 H1 TIP3 2443 27.428 67.337 44.306 1.00 0.00 WT1 H ATOM 9990 H2 TIP3 2443 28.451 66.335 43.814 1.00 0.00 WT1 H ATOM 9991 OH2 TIP3 2444 56.245 81.463 52.399 1.00 0.00 WT1 O ATOM 9992 H1 TIP3 2444 55.442 81.970 52.515 1.00 0.00 WT1 H ATOM 9993 H2 TIP3 2444 56.311 81.330 51.454 1.00 0.00 WT1 H ATOM 9994 OH2 TIP3 2447 28.063 95.600 4.904 1.00 0.00 WT1 O ATOM 9995 H1 TIP3 2447 28.440 95.125 5.645 1.00 0.00 WT1 H ATOM 9996 H2 TIP3 2447 28.767 96.173 4.602 1.00 0.00 WT1 H ATOM 9997 OH2 TIP3 2449 87.158 47.848 51.646 1.00 0.00 WT1 O ATOM 9998 H1 TIP3 2449 86.404 48.434 51.572 1.00 0.00 WT1 H ATOM 9999 H2 TIP3 2449 87.424 47.915 52.563 1.00 0.00 WT1 H ATOM 10000 OH2 TIP3 2451 34.472 40.217 35.023 1.00 0.00 WT1 O ATOM 10001 H1 TIP3 2451 34.901 40.907 34.517 1.00 0.00 WT1 H ATOM 10002 H2 TIP3 2451 34.196 40.648 35.832 1.00 0.00 WT1 H ATOM 10003 OH2 TIP3 2453 55.346 16.595 18.895 1.00 0.00 WT1 O ATOM 10004 H1 TIP3 2453 55.911 16.962 18.216 1.00 0.00 WT1 H ATOM 10005 H2 TIP3 2453 54.890 17.352 19.263 1.00 0.00 WT1 H ATOM 10006 OH2 TIP3 2455 54.883 18.971 15.327 1.00 0.00 WT1 O ATOM 10007 H1 TIP3 2455 54.196 18.799 15.970 1.00 0.00 WT1 H ATOM 10008 H2 TIP3 2455 54.457 19.510 14.660 1.00 0.00 WT1 H ATOM 10009 OH2 TIP3 2456 37.572 31.055 37.779 1.00 0.00 WT1 O ATOM 10010 H1 TIP3 2456 38.170 31.784 37.616 1.00 0.00 WT1 H ATOM 10011 H2 TIP3 2456 36.829 31.220 37.198 1.00 0.00 WT1 H ATOM 10012 OH2 TIP3 2457 26.408 1.675 57.399 1.00 0.00 WT1 O ATOM 10013 H1 TIP3 2457 26.892 2.498 57.325 1.00 0.00 WT1 H ATOM 10014 H2 TIP3 2457 26.000 1.558 56.541 1.00 0.00 WT1 H ATOM 10015 OH2 TIP3 2458 66.849 63.199 55.664 1.00 0.00 WT1 O ATOM 10016 H1 TIP3 2458 66.974 63.807 54.936 1.00 0.00 WT1 H ATOM 10017 H2 TIP3 2458 66.464 63.733 56.359 1.00 0.00 WT1 H ATOM 10018 OH2 TIP3 2459 47.814 52.246 5.017 1.00 0.00 WT1 O ATOM 10019 H1 TIP3 2459 48.593 51.895 4.586 1.00 0.00 WT1 H ATOM 10020 H2 TIP3 2459 48.107 52.462 5.903 1.00 0.00 WT1 H ATOM 10021 OH2 TIP3 2460 26.719 40.683 0.090 1.00 0.00 WT1 O ATOM 10022 H1 TIP3 2460 27.512 41.070 -0.279 1.00 0.00 WT1 H ATOM 10023 H2 TIP3 2460 26.316 41.393 0.590 1.00 0.00 WT1 H ATOM 10024 OH2 TIP3 2461 79.228 2.581 -19.032 1.00 0.00 WT1 O ATOM 10025 H1 TIP3 2461 78.469 3.118 -18.806 1.00 0.00 WT1 H ATOM 10026 H2 TIP3 2461 79.017 1.711 -18.693 1.00 0.00 WT1 H ATOM 10027 OH2 TIP3 2462 42.785 17.322 -11.894 1.00 0.00 WT1 O ATOM 10028 H1 TIP3 2462 42.047 16.724 -11.774 1.00 0.00 WT1 H ATOM 10029 H2 TIP3 2462 42.432 18.185 -11.678 1.00 0.00 WT1 H ATOM 10030 OH2 TIP3 2463 45.460 7.755 15.517 1.00 0.00 WT1 O ATOM 10031 H1 TIP3 2463 45.722 8.270 16.280 1.00 0.00 WT1 H ATOM 10032 H2 TIP3 2463 46.121 7.066 15.455 1.00 0.00 WT1 H ATOM 10033 OH2 TIP3 2464 61.668 16.041 -14.244 1.00 0.00 WT1 O ATOM 10034 H1 TIP3 2464 62.390 16.560 -14.598 1.00 0.00 WT1 H ATOM 10035 H2 TIP3 2464 61.703 15.217 -14.731 1.00 0.00 WT1 H ATOM 10036 OH2 TIP3 2465 39.394 96.259 28.954 1.00 0.00 WT1 O ATOM 10037 H1 TIP3 2465 40.316 96.040 28.819 1.00 0.00 WT1 H ATOM 10038 H2 TIP3 2465 39.329 97.183 28.712 1.00 0.00 WT1 H ATOM 10039 OH2 TIP3 2467 28.382 36.513 57.138 1.00 0.00 WT1 O ATOM 10040 H1 TIP3 2467 27.536 36.948 57.240 1.00 0.00 WT1 H ATOM 10041 H2 TIP3 2467 28.765 36.913 56.357 1.00 0.00 WT1 H ATOM 10042 OH2 TIP3 2468 88.242 2.477 62.133 1.00 0.00 WT1 O ATOM 10043 H1 TIP3 2468 89.042 2.743 61.679 1.00 0.00 WT1 H ATOM 10044 H2 TIP3 2468 88.201 3.047 62.900 1.00 0.00 WT1 H ATOM 10045 OH2 TIP3 2469 46.449 55.014 -14.435 1.00 0.00 WT1 O ATOM 10046 H1 TIP3 2469 47.184 54.404 -14.509 1.00 0.00 WT1 H ATOM 10047 H2 TIP3 2469 46.753 55.682 -13.820 1.00 0.00 WT1 H ATOM 10048 OH2 TIP3 2470 76.093 20.881 39.728 1.00 0.00 WT1 O ATOM 10049 H1 TIP3 2470 76.660 20.344 39.175 1.00 0.00 WT1 H ATOM 10050 H2 TIP3 2470 75.550 20.250 40.201 1.00 0.00 WT1 H ATOM 10051 OH2 TIP3 2471 50.905 77.790 64.915 1.00 0.00 WT1 O ATOM 10052 H1 TIP3 2471 50.281 78.365 64.473 1.00 0.00 WT1 H ATOM 10053 H2 TIP3 2471 50.369 77.270 65.515 1.00 0.00 WT1 H ATOM 10054 OH2 TIP3 2472 40.357 42.913 29.116 1.00 0.00 WT1 O ATOM 10055 H1 TIP3 2472 40.828 43.217 28.340 1.00 0.00 WT1 H ATOM 10056 H2 TIP3 2472 40.387 43.654 29.721 1.00 0.00 WT1 H ATOM 10057 OH2 TIP3 2473 68.119 8.657 41.504 1.00 0.00 WT1 O ATOM 10058 H1 TIP3 2473 68.237 9.046 42.370 1.00 0.00 WT1 H ATOM 10059 H2 TIP3 2473 68.504 9.293 40.900 1.00 0.00 WT1 H ATOM 10060 OH2 TIP3 2474 20.689 77.450 11.580 1.00 0.00 WT1 O ATOM 10061 H1 TIP3 2474 20.019 76.851 11.251 1.00 0.00 WT1 H ATOM 10062 H2 TIP3 2474 21.421 76.882 11.821 1.00 0.00 WT1 H ATOM 10063 OH2 TIP3 2475 21.886 13.673 66.676 1.00 0.00 WT1 O ATOM 10064 H1 TIP3 2475 22.699 13.467 67.138 1.00 0.00 WT1 H ATOM 10065 H2 TIP3 2475 22.153 13.802 65.766 1.00 0.00 WT1 H ATOM 10066 OH2 TIP3 2476 32.660 34.784 46.656 1.00 0.00 WT1 O ATOM 10067 H1 TIP3 2476 32.778 34.773 45.706 1.00 0.00 WT1 H ATOM 10068 H2 TIP3 2476 33.547 34.726 47.009 1.00 0.00 WT1 H ATOM 10069 OH2 TIP3 2479 20.881 64.153 40.488 1.00 0.00 WT1 O ATOM 10070 H1 TIP3 2479 21.132 64.382 41.383 1.00 0.00 WT1 H ATOM 10071 H2 TIP3 2479 20.965 64.971 39.998 1.00 0.00 WT1 H ATOM 10072 OH2 TIP3 2480 35.816 43.903 58.729 1.00 0.00 WT1 O ATOM 10073 H1 TIP3 2480 35.489 44.557 59.347 1.00 0.00 WT1 H ATOM 10074 H2 TIP3 2480 35.246 43.145 58.857 1.00 0.00 WT1 H ATOM 10075 OH2 TIP3 2481 58.805 25.946 54.126 1.00 0.00 WT1 O ATOM 10076 H1 TIP3 2481 58.521 26.819 53.853 1.00 0.00 WT1 H ATOM 10077 H2 TIP3 2481 59.184 26.078 54.995 1.00 0.00 WT1 H ATOM 10078 OH2 TIP3 2482 39.449 36.754 13.147 1.00 0.00 WT1 O ATOM 10079 H1 TIP3 2482 39.374 37.688 12.951 1.00 0.00 WT1 H ATOM 10080 H2 TIP3 2482 40.289 36.670 13.598 1.00 0.00 WT1 H ATOM 10081 OH2 TIP3 2483 82.641 66.242 55.406 1.00 0.00 WT1 O ATOM 10082 H1 TIP3 2483 82.006 66.868 55.059 1.00 0.00 WT1 H ATOM 10083 H2 TIP3 2483 82.286 65.384 55.173 1.00 0.00 WT1 H ATOM 10084 OH2 TIP3 2484 65.049 90.880 13.576 1.00 0.00 WT1 O ATOM 10085 H1 TIP3 2484 65.166 90.654 12.653 1.00 0.00 WT1 H ATOM 10086 H2 TIP3 2484 65.334 90.100 14.052 1.00 0.00 WT1 H ATOM 10087 OH2 TIP3 2487 82.877 18.288 51.831 1.00 0.00 WT1 O ATOM 10088 H1 TIP3 2487 82.086 17.754 51.911 1.00 0.00 WT1 H ATOM 10089 H2 TIP3 2487 83.205 18.101 50.952 1.00 0.00 WT1 H ATOM 10090 OH2 TIP3 2488 34.656 20.692 23.983 1.00 0.00 WT1 O ATOM 10091 H1 TIP3 2488 34.414 21.397 23.383 1.00 0.00 WT1 H ATOM 10092 H2 TIP3 2488 35.457 20.324 23.611 1.00 0.00 WT1 H ATOM 10093 OH2 TIP3 2489 77.956 55.135 -5.793 1.00 0.00 WT1 O ATOM 10094 H1 TIP3 2489 77.583 54.869 -4.953 1.00 0.00 WT1 H ATOM 10095 H2 TIP3 2489 78.801 54.688 -5.834 1.00 0.00 WT1 H ATOM 10096 OH2 TIP3 2492 48.301 12.434 2.542 1.00 0.00 WT1 O ATOM 10097 H1 TIP3 2492 47.392 12.655 2.745 1.00 0.00 WT1 H ATOM 10098 H2 TIP3 2492 48.518 11.728 3.151 1.00 0.00 WT1 H ATOM 10099 OH2 TIP3 2493 81.490 29.237 13.450 1.00 0.00 WT1 O ATOM 10100 H1 TIP3 2493 81.615 28.724 14.248 1.00 0.00 WT1 H ATOM 10101 H2 TIP3 2493 80.680 28.897 13.070 1.00 0.00 WT1 H ATOM 10102 OH2 TIP3 2494 65.077 65.506 52.097 1.00 0.00 WT1 O ATOM 10103 H1 TIP3 2494 64.353 66.116 52.237 1.00 0.00 WT1 H ATOM 10104 H2 TIP3 2494 64.735 64.868 51.471 1.00 0.00 WT1 H ATOM 10105 OH2 TIP3 2495 29.490 94.020 -0.087 1.00 0.00 WT1 O ATOM 10106 H1 TIP3 2495 28.538 94.080 -0.016 1.00 0.00 WT1 H ATOM 10107 H2 TIP3 2495 29.640 93.399 -0.800 1.00 0.00 WT1 H ATOM 10108 OH2 TIP3 2496 35.497 47.259 56.936 1.00 0.00 WT1 O ATOM 10109 H1 TIP3 2496 36.262 47.788 57.162 1.00 0.00 WT1 H ATOM 10110 H2 TIP3 2496 35.636 47.015 56.021 1.00 0.00 WT1 H ATOM 10111 OH2 TIP3 2497 57.043 48.531 36.373 1.00 0.00 WT1 O ATOM 10112 H1 TIP3 2497 56.655 49.298 35.952 1.00 0.00 WT1 H ATOM 10113 H2 TIP3 2497 57.809 48.325 35.838 1.00 0.00 WT1 H ATOM 10114 OH2 TIP3 2498 85.294 40.236 60.227 1.00 0.00 WT1 O ATOM 10115 H1 TIP3 2498 86.017 40.660 60.689 1.00 0.00 WT1 H ATOM 10116 H2 TIP3 2498 84.540 40.802 60.392 1.00 0.00 WT1 H ATOM 10117 OH2 TIP3 2499 74.737 44.984 35.312 1.00 0.00 WT1 O ATOM 10118 H1 TIP3 2499 74.570 44.908 34.373 1.00 0.00 WT1 H ATOM 10119 H2 TIP3 2499 73.866 44.988 35.711 1.00 0.00 WT1 H ATOM 10120 OH2 TIP3 2500 75.717 84.740 25.480 1.00 0.00 WT1 O ATOM 10121 H1 TIP3 2500 74.817 84.714 25.806 1.00 0.00 WT1 H ATOM 10122 H2 TIP3 2500 75.671 84.338 24.613 1.00 0.00 WT1 H ATOM 10123 OH2 TIP3 2501 82.425 1.075 65.165 1.00 0.00 WT1 O ATOM 10124 H1 TIP3 2501 82.398 0.155 65.429 1.00 0.00 WT1 H ATOM 10125 H2 TIP3 2501 82.061 1.549 65.912 1.00 0.00 WT1 H ATOM 10126 OH2 TIP3 2502 57.201 53.076 -6.904 1.00 0.00 WT1 O ATOM 10127 H1 TIP3 2502 56.431 53.622 -7.061 1.00 0.00 WT1 H ATOM 10128 H2 TIP3 2502 56.845 52.204 -6.734 1.00 0.00 WT1 H ATOM 10129 OH2 TIP3 2503 67.453 43.018 -11.981 1.00 0.00 WT1 O ATOM 10130 H1 TIP3 2503 67.434 43.028 -12.938 1.00 0.00 WT1 H ATOM 10131 H2 TIP3 2503 66.573 42.742 -11.727 1.00 0.00 WT1 H ATOM 10132 OH2 TIP3 2505 24.805 90.456 -9.215 1.00 0.00 WT1 O ATOM 10133 H1 TIP3 2505 23.928 90.502 -9.596 1.00 0.00 WT1 H ATOM 10134 H2 TIP3 2505 24.735 90.939 -8.392 1.00 0.00 WT1 H ATOM 10135 OH2 TIP3 2506 76.905 44.852 52.151 1.00 0.00 WT1 O ATOM 10136 H1 TIP3 2506 77.405 45.665 52.231 1.00 0.00 WT1 H ATOM 10137 H2 TIP3 2506 77.356 44.358 51.467 1.00 0.00 WT1 H ATOM 10138 OH2 TIP3 2508 25.423 76.998 15.170 1.00 0.00 WT1 O ATOM 10139 H1 TIP3 2508 24.647 76.461 15.007 1.00 0.00 WT1 H ATOM 10140 H2 TIP3 2508 26.125 76.365 15.324 1.00 0.00 WT1 H ATOM 10141 OH2 TIP3 2510 36.065 47.500 34.062 1.00 0.00 WT1 O ATOM 10142 H1 TIP3 2510 36.829 47.334 33.512 1.00 0.00 WT1 H ATOM 10143 H2 TIP3 2510 36.254 48.336 34.490 1.00 0.00 WT1 H ATOM 10144 OH2 TIP3 2511 24.183 44.016 27.577 1.00 0.00 WT1 O ATOM 10145 H1 TIP3 2511 23.768 44.445 26.829 1.00 0.00 WT1 H ATOM 10146 H2 TIP3 2511 23.931 43.096 27.497 1.00 0.00 WT1 H ATOM 10147 OH2 TIP3 2512 70.157 66.213 -0.615 1.00 0.00 WT1 O ATOM 10148 H1 TIP3 2512 69.713 66.617 0.131 1.00 0.00 WT1 H ATOM 10149 H2 TIP3 2512 70.964 66.718 -0.716 1.00 0.00 WT1 H ATOM 10150 OH2 TIP3 2515 35.870 92.087 45.911 1.00 0.00 WT1 O ATOM 10151 H1 TIP3 2515 35.755 92.238 46.849 1.00 0.00 WT1 H ATOM 10152 H2 TIP3 2515 35.687 92.935 45.507 1.00 0.00 WT1 H ATOM 10153 OH2 TIP3 2517 32.490 51.096 -9.093 1.00 0.00 WT1 O ATOM 10154 H1 TIP3 2517 33.310 51.232 -8.619 1.00 0.00 WT1 H ATOM 10155 H2 TIP3 2517 31.846 50.911 -8.410 1.00 0.00 WT1 H ATOM 10156 OH2 TIP3 2518 20.955 62.677 16.350 1.00 0.00 WT1 O ATOM 10157 H1 TIP3 2518 21.784 62.854 15.905 1.00 0.00 WT1 H ATOM 10158 H2 TIP3 2518 21.137 62.851 17.274 1.00 0.00 WT1 H ATOM 10159 OH2 TIP3 2519 31.156 7.351 12.884 1.00 0.00 WT1 O ATOM 10160 H1 TIP3 2519 31.151 7.226 13.834 1.00 0.00 WT1 H ATOM 10161 H2 TIP3 2519 31.684 8.137 12.748 1.00 0.00 WT1 H ATOM 10162 OH2 TIP3 2521 29.245 34.138 5.977 1.00 0.00 WT1 O ATOM 10163 H1 TIP3 2521 29.066 34.612 5.165 1.00 0.00 WT1 H ATOM 10164 H2 TIP3 2521 28.725 34.593 6.640 1.00 0.00 WT1 H ATOM 10165 OH2 TIP3 2522 41.690 33.710 32.580 1.00 0.00 WT1 O ATOM 10166 H1 TIP3 2522 42.001 34.272 31.870 1.00 0.00 WT1 H ATOM 10167 H2 TIP3 2522 41.392 34.319 33.255 1.00 0.00 WT1 H ATOM 10168 OH2 TIP3 2523 40.053 70.936 -1.281 1.00 0.00 WT1 O ATOM 10169 H1 TIP3 2523 39.434 70.274 -1.591 1.00 0.00 WT1 H ATOM 10170 H2 TIP3 2523 40.914 70.548 -1.434 1.00 0.00 WT1 H ATOM 10171 OH2 TIP3 2525 63.745 11.491 52.838 1.00 0.00 WT1 O ATOM 10172 H1 TIP3 2525 64.148 12.314 52.563 1.00 0.00 WT1 H ATOM 10173 H2 TIP3 2525 64.098 11.332 53.714 1.00 0.00 WT1 H ATOM 10174 OH2 TIP3 2526 76.743 87.564 46.320 1.00 0.00 WT1 O ATOM 10175 H1 TIP3 2526 75.906 87.340 46.728 1.00 0.00 WT1 H ATOM 10176 H2 TIP3 2526 76.611 87.383 45.389 1.00 0.00 WT1 H ATOM 10177 OH2 TIP3 2527 43.709 36.717 37.268 1.00 0.00 WT1 O ATOM 10178 H1 TIP3 2527 42.918 36.178 37.262 1.00 0.00 WT1 H ATOM 10179 H2 TIP3 2527 43.916 36.849 36.343 1.00 0.00 WT1 H ATOM 10180 OH2 TIP3 2528 73.501 66.956 47.584 1.00 0.00 WT1 O ATOM 10181 H1 TIP3 2528 73.356 66.649 46.689 1.00 0.00 WT1 H ATOM 10182 H2 TIP3 2528 74.240 66.436 47.899 1.00 0.00 WT1 H ATOM 10183 OH2 TIP3 2529 27.777 29.601 6.693 1.00 0.00 WT1 O ATOM 10184 H1 TIP3 2529 28.058 29.397 7.585 1.00 0.00 WT1 H ATOM 10185 H2 TIP3 2529 26.897 29.230 6.628 1.00 0.00 WT1 H ATOM 10186 OH2 TIP3 2530 65.561 15.154 61.190 1.00 0.00 WT1 O ATOM 10187 H1 TIP3 2530 65.533 14.367 60.646 1.00 0.00 WT1 H ATOM 10188 H2 TIP3 2530 64.854 15.032 61.824 1.00 0.00 WT1 H ATOM 10189 OH2 TIP3 2532 39.457 60.400 -8.222 1.00 0.00 WT1 O ATOM 10190 H1 TIP3 2532 38.660 60.764 -7.835 1.00 0.00 WT1 H ATOM 10191 H2 TIP3 2532 39.817 59.832 -7.541 1.00 0.00 WT1 H ATOM 10192 OH2 TIP3 2533 68.480 76.146 36.510 1.00 0.00 WT1 O ATOM 10193 H1 TIP3 2533 67.532 76.042 36.593 1.00 0.00 WT1 H ATOM 10194 H2 TIP3 2533 68.664 76.994 36.915 1.00 0.00 WT1 H ATOM 10195 OH2 TIP3 2535 47.289 13.115 27.617 1.00 0.00 WT1 O ATOM 10196 H1 TIP3 2535 48.102 13.182 27.116 1.00 0.00 WT1 H ATOM 10197 H2 TIP3 2535 47.436 13.663 28.388 1.00 0.00 WT1 H ATOM 10198 OH2 TIP3 2536 36.855 29.100 66.951 1.00 0.00 WT1 O ATOM 10199 H1 TIP3 2536 37.237 29.172 66.076 1.00 0.00 WT1 H ATOM 10200 H2 TIP3 2536 37.448 29.597 67.514 1.00 0.00 WT1 H ATOM 10201 OH2 TIP3 2537 49.863 48.642 -13.217 1.00 0.00 WT1 O ATOM 10202 H1 TIP3 2537 49.027 49.093 -13.332 1.00 0.00 WT1 H ATOM 10203 H2 TIP3 2537 50.174 48.929 -12.358 1.00 0.00 WT1 H ATOM 10204 OH2 TIP3 2538 52.774 38.586 20.970 1.00 0.00 WT1 O ATOM 10205 H1 TIP3 2538 53.477 39.168 21.261 1.00 0.00 WT1 H ATOM 10206 H2 TIP3 2538 52.212 39.141 20.429 1.00 0.00 WT1 H ATOM 10207 OH2 TIP3 2539 22.745 30.229 58.604 1.00 0.00 WT1 O ATOM 10208 H1 TIP3 2539 23.564 30.208 59.099 1.00 0.00 WT1 H ATOM 10209 H2 TIP3 2539 22.247 29.480 58.933 1.00 0.00 WT1 H ATOM 10210 OH2 TIP3 2540 60.934 32.203 66.765 1.00 0.00 WT1 O ATOM 10211 H1 TIP3 2540 60.091 32.438 67.154 1.00 0.00 WT1 H ATOM 10212 H2 TIP3 2540 61.059 32.840 66.062 1.00 0.00 WT1 H ATOM 10213 OH2 TIP3 2541 47.493 3.617 32.278 1.00 0.00 WT1 O ATOM 10214 H1 TIP3 2541 48.423 3.710 32.484 1.00 0.00 WT1 H ATOM 10215 H2 TIP3 2541 47.334 2.673 32.303 1.00 0.00 WT1 H ATOM 10216 OH2 TIP3 2542 35.050 88.481 1.046 1.00 0.00 WT1 O ATOM 10217 H1 TIP3 2542 34.935 89.209 1.656 1.00 0.00 WT1 H ATOM 10218 H2 TIP3 2542 35.938 88.591 0.705 1.00 0.00 WT1 H ATOM 10219 OH2 TIP3 2543 75.059 20.124 4.487 1.00 0.00 WT1 O ATOM 10220 H1 TIP3 2543 75.429 20.997 4.357 1.00 0.00 WT1 H ATOM 10221 H2 TIP3 2543 74.551 19.958 3.693 1.00 0.00 WT1 H ATOM 10222 OH2 TIP3 2544 84.378 36.286 9.664 1.00 0.00 WT1 O ATOM 10223 H1 TIP3 2544 83.759 35.720 9.203 1.00 0.00 WT1 H ATOM 10224 H2 TIP3 2544 83.902 36.581 10.440 1.00 0.00 WT1 H ATOM 10225 OH2 TIP3 2545 57.169 55.892 25.801 1.00 0.00 WT1 O ATOM 10226 H1 TIP3 2545 56.629 55.198 26.178 1.00 0.00 WT1 H ATOM 10227 H2 TIP3 2545 56.719 56.703 26.039 1.00 0.00 WT1 H ATOM 10228 OH2 TIP3 2546 26.517 57.689 -12.460 1.00 0.00 WT1 O ATOM 10229 H1 TIP3 2546 27.217 58.231 -12.097 1.00 0.00 WT1 H ATOM 10230 H2 TIP3 2546 26.841 57.424 -13.321 1.00 0.00 WT1 H ATOM 10231 OH2 TIP3 2547 33.022 36.254 -15.077 1.00 0.00 WT1 O ATOM 10232 H1 TIP3 2547 33.602 37.013 -15.137 1.00 0.00 WT1 H ATOM 10233 H2 TIP3 2547 32.192 36.610 -14.761 1.00 0.00 WT1 H ATOM 10234 OH2 TIP3 2548 39.501 41.079 -6.790 1.00 0.00 WT1 O ATOM 10235 H1 TIP3 2548 39.779 41.280 -5.896 1.00 0.00 WT1 H ATOM 10236 H2 TIP3 2548 38.761 41.665 -6.948 1.00 0.00 WT1 H ATOM 10237 OH2 TIP3 2549 23.387 69.371 15.357 1.00 0.00 WT1 O ATOM 10238 H1 TIP3 2549 23.895 69.148 16.137 1.00 0.00 WT1 H ATOM 10239 H2 TIP3 2549 23.424 68.585 14.814 1.00 0.00 WT1 H ATOM 10240 OH2 TIP3 2550 53.230 52.332 25.634 1.00 0.00 WT1 O ATOM 10241 H1 TIP3 2550 52.698 52.762 24.965 1.00 0.00 WT1 H ATOM 10242 H2 TIP3 2550 53.689 51.635 25.163 1.00 0.00 WT1 H ATOM 10243 OH2 TIP3 2551 78.995 42.077 49.450 1.00 0.00 WT1 O ATOM 10244 H1 TIP3 2551 78.518 41.839 48.654 1.00 0.00 WT1 H ATOM 10245 H2 TIP3 2551 79.333 41.246 49.784 1.00 0.00 WT1 H ATOM 10246 OH2 TIP3 2552 71.233 77.459 60.870 1.00 0.00 WT1 O ATOM 10247 H1 TIP3 2552 70.490 76.873 60.728 1.00 0.00 WT1 H ATOM 10248 H2 TIP3 2552 71.938 77.084 60.343 1.00 0.00 WT1 H ATOM 10249 OH2 TIP3 2553 34.272 48.749 -6.821 1.00 0.00 WT1 O ATOM 10250 H1 TIP3 2553 34.492 48.778 -7.752 1.00 0.00 WT1 H ATOM 10251 H2 TIP3 2553 34.485 47.855 -6.552 1.00 0.00 WT1 H ATOM 10252 OH2 TIP3 2554 51.022 56.883 -11.003 1.00 0.00 WT1 O ATOM 10253 H1 TIP3 2554 51.599 57.599 -11.271 1.00 0.00 WT1 H ATOM 10254 H2 TIP3 2554 51.009 56.291 -11.755 1.00 0.00 WT1 H ATOM 10255 OH2 TIP3 2556 77.843 59.931 44.091 1.00 0.00 WT1 O ATOM 10256 H1 TIP3 2556 78.369 59.779 43.306 1.00 0.00 WT1 H ATOM 10257 H2 TIP3 2556 78.481 60.160 44.766 1.00 0.00 WT1 H ATOM 10258 OH2 TIP3 2557 86.777 58.951 11.151 1.00 0.00 WT1 O ATOM 10259 H1 TIP3 2557 85.964 59.371 10.869 1.00 0.00 WT1 H ATOM 10260 H2 TIP3 2557 87.001 58.356 10.435 1.00 0.00 WT1 H ATOM 10261 OH2 TIP3 2559 61.995 18.055 8.399 1.00 0.00 WT1 O ATOM 10262 H1 TIP3 2559 62.153 18.692 9.096 1.00 0.00 WT1 H ATOM 10263 H2 TIP3 2559 62.406 18.440 7.625 1.00 0.00 WT1 H ATOM 10264 OH2 TIP3 2560 82.694 17.234 -9.684 1.00 0.00 WT1 O ATOM 10265 H1 TIP3 2560 81.990 16.759 -10.125 1.00 0.00 WT1 H ATOM 10266 H2 TIP3 2560 83.034 16.614 -9.039 1.00 0.00 WT1 H ATOM 10267 OH2 TIP3 2561 34.022 34.339 -5.826 1.00 0.00 WT1 O ATOM 10268 H1 TIP3 2561 33.227 34.239 -6.350 1.00 0.00 WT1 H ATOM 10269 H2 TIP3 2561 33.753 34.879 -5.083 1.00 0.00 WT1 H ATOM 10270 OH2 TIP3 2562 53.380 26.039 60.577 1.00 0.00 WT1 O ATOM 10271 H1 TIP3 2562 53.211 26.421 59.716 1.00 0.00 WT1 H ATOM 10272 H2 TIP3 2562 54.224 26.405 60.840 1.00 0.00 WT1 H ATOM 10273 OH2 TIP3 2563 80.127 57.461 40.097 1.00 0.00 WT1 O ATOM 10274 H1 TIP3 2563 79.296 57.685 39.677 1.00 0.00 WT1 H ATOM 10275 H2 TIP3 2563 80.020 56.549 40.370 1.00 0.00 WT1 H ATOM 10276 OH2 TIP3 2564 79.858 41.633 26.357 1.00 0.00 WT1 O ATOM 10277 H1 TIP3 2564 80.689 41.386 26.763 1.00 0.00 WT1 H ATOM 10278 H2 TIP3 2564 80.079 41.803 25.441 1.00 0.00 WT1 H ATOM 10279 OH2 TIP3 2565 60.525 46.089 -14.792 1.00 0.00 WT1 O ATOM 10280 H1 TIP3 2565 60.139 46.918 -15.075 1.00 0.00 WT1 H ATOM 10281 H2 TIP3 2565 61.082 46.325 -14.050 1.00 0.00 WT1 H ATOM 10282 OH2 TIP3 2566 76.272 47.226 -16.934 1.00 0.00 WT1 O ATOM 10283 H1 TIP3 2566 75.632 46.880 -16.312 1.00 0.00 WT1 H ATOM 10284 H2 TIP3 2566 76.536 48.068 -16.563 1.00 0.00 WT1 H ATOM 10285 OH2 TIP3 2567 28.727 32.890 -7.159 1.00 0.00 WT1 O ATOM 10286 H1 TIP3 2567 28.710 32.255 -7.874 1.00 0.00 WT1 H ATOM 10287 H2 TIP3 2567 28.031 32.604 -6.567 1.00 0.00 WT1 H ATOM 10288 OH2 TIP3 2568 41.852 40.634 29.153 1.00 0.00 WT1 O ATOM 10289 H1 TIP3 2568 41.470 41.496 28.988 1.00 0.00 WT1 H ATOM 10290 H2 TIP3 2568 42.763 40.718 28.873 1.00 0.00 WT1 H ATOM 10291 OH2 TIP3 2569 34.052 62.249 7.457 1.00 0.00 WT1 O ATOM 10292 H1 TIP3 2569 34.753 61.602 7.540 1.00 0.00 WT1 H ATOM 10293 H2 TIP3 2569 34.053 62.711 8.295 1.00 0.00 WT1 H ATOM 10294 OH2 TIP3 2570 70.715 51.866 -9.150 1.00 0.00 WT1 O ATOM 10295 H1 TIP3 2570 71.280 51.813 -8.379 1.00 0.00 WT1 H ATOM 10296 H2 TIP3 2570 69.950 51.338 -8.923 1.00 0.00 WT1 H ATOM 10297 OH2 TIP3 2571 39.257 77.230 -4.873 1.00 0.00 WT1 O ATOM 10298 H1 TIP3 2571 39.003 76.337 -4.639 1.00 0.00 WT1 H ATOM 10299 H2 TIP3 2571 40.212 77.202 -4.927 1.00 0.00 WT1 H ATOM 10300 OH2 TIP3 2572 34.111 23.173 -1.693 1.00 0.00 WT1 O ATOM 10301 H1 TIP3 2572 34.894 22.661 -1.894 1.00 0.00 WT1 H ATOM 10302 H2 TIP3 2572 33.922 23.651 -2.500 1.00 0.00 WT1 H ATOM 10303 OH2 TIP3 2573 36.076 66.019 -15.808 1.00 0.00 WT1 O ATOM 10304 H1 TIP3 2573 36.571 66.835 -15.879 1.00 0.00 WT1 H ATOM 10305 H2 TIP3 2573 36.383 65.487 -16.542 1.00 0.00 WT1 H ATOM 10306 OH2 TIP3 2574 41.370 92.779 8.907 1.00 0.00 WT1 O ATOM 10307 H1 TIP3 2574 41.266 92.077 9.550 1.00 0.00 WT1 H ATOM 10308 H2 TIP3 2574 41.903 92.391 8.213 1.00 0.00 WT1 H ATOM 10309 OH2 TIP3 2577 74.891 75.912 -18.230 1.00 0.00 WT1 O ATOM 10310 H1 TIP3 2577 75.064 76.743 -17.788 1.00 0.00 WT1 H ATOM 10311 H2 TIP3 2577 74.721 76.155 -19.140 1.00 0.00 WT1 H ATOM 10312 OH2 TIP3 2578 34.530 84.198 45.492 1.00 0.00 WT1 O ATOM 10313 H1 TIP3 2578 35.457 84.192 45.729 1.00 0.00 WT1 H ATOM 10314 H2 TIP3 2578 34.161 84.935 45.980 1.00 0.00 WT1 H ATOM 10315 OH2 TIP3 2580 54.993 49.454 58.540 1.00 0.00 WT1 O ATOM 10316 H1 TIP3 2580 54.420 49.731 59.254 1.00 0.00 WT1 H ATOM 10317 H2 TIP3 2580 55.479 48.711 58.896 1.00 0.00 WT1 H ATOM 10318 OH2 TIP3 2581 45.401 51.370 0.462 1.00 0.00 WT1 O ATOM 10319 H1 TIP3 2581 44.596 51.502 0.962 1.00 0.00 WT1 H ATOM 10320 H2 TIP3 2581 46.001 50.952 1.080 1.00 0.00 WT1 H ATOM 10321 OH2 TIP3 2582 62.183 26.738 10.578 1.00 0.00 WT1 O ATOM 10322 H1 TIP3 2582 61.430 27.053 10.077 1.00 0.00 WT1 H ATOM 10323 H2 TIP3 2582 61.925 25.866 10.876 1.00 0.00 WT1 H ATOM 10324 OH2 TIP3 2583 36.119 43.130 20.402 1.00 0.00 WT1 O ATOM 10325 H1 TIP3 2583 36.600 43.322 19.597 1.00 0.00 WT1 H ATOM 10326 H2 TIP3 2583 36.292 42.204 20.570 1.00 0.00 WT1 H ATOM 10327 OH2 TIP3 2584 36.070 9.770 65.739 1.00 0.00 WT1 O ATOM 10328 H1 TIP3 2584 36.061 9.476 66.650 1.00 0.00 WT1 H ATOM 10329 H2 TIP3 2584 36.622 9.132 65.286 1.00 0.00 WT1 H ATOM 10330 OH2 TIP3 2585 34.171 39.106 7.784 1.00 0.00 WT1 O ATOM 10331 H1 TIP3 2585 34.454 39.326 8.672 1.00 0.00 WT1 H ATOM 10332 H2 TIP3 2585 34.821 39.519 7.216 1.00 0.00 WT1 H ATOM 10333 OH2 TIP3 2587 45.646 76.162 25.273 1.00 0.00 WT1 O ATOM 10334 H1 TIP3 2587 46.585 76.343 25.309 1.00 0.00 WT1 H ATOM 10335 H2 TIP3 2587 45.570 75.237 25.507 1.00 0.00 WT1 H ATOM 10336 OH2 TIP3 2588 30.132 65.650 58.654 1.00 0.00 WT1 O ATOM 10337 H1 TIP3 2588 29.732 64.972 59.198 1.00 0.00 WT1 H ATOM 10338 H2 TIP3 2588 29.557 66.409 58.756 1.00 0.00 WT1 H ATOM 10339 OH2 TIP3 2589 24.125 16.230 56.775 1.00 0.00 WT1 O ATOM 10340 H1 TIP3 2589 23.701 15.942 55.966 1.00 0.00 WT1 H ATOM 10341 H2 TIP3 2589 24.806 15.576 56.934 1.00 0.00 WT1 H ATOM 10342 OH2 TIP3 2590 36.783 6.774 15.802 1.00 0.00 WT1 O ATOM 10343 H1 TIP3 2590 36.377 7.042 16.627 1.00 0.00 WT1 H ATOM 10344 H2 TIP3 2590 37.699 7.039 15.888 1.00 0.00 WT1 H ATOM 10345 OH2 TIP3 2591 71.404 26.719 28.612 1.00 0.00 WT1 O ATOM 10346 H1 TIP3 2591 71.422 26.998 27.697 1.00 0.00 WT1 H ATOM 10347 H2 TIP3 2591 71.703 27.485 29.103 1.00 0.00 WT1 H ATOM 10348 OH2 TIP3 2592 33.490 37.585 44.251 1.00 0.00 WT1 O ATOM 10349 H1 TIP3 2592 33.162 36.686 44.273 1.00 0.00 WT1 H ATOM 10350 H2 TIP3 2592 34.418 37.496 44.034 1.00 0.00 WT1 H ATOM 10351 OH2 TIP3 2594 39.887 52.116 17.231 1.00 0.00 WT1 O ATOM 10352 H1 TIP3 2594 39.900 52.973 17.659 1.00 0.00 WT1 H ATOM 10353 H2 TIP3 2594 40.572 51.616 17.675 1.00 0.00 WT1 H ATOM 10354 OH2 TIP3 2595 52.520 67.306 17.547 1.00 0.00 WT1 O ATOM 10355 H1 TIP3 2595 51.865 67.980 17.727 1.00 0.00 WT1 H ATOM 10356 H2 TIP3 2595 52.503 67.203 16.596 1.00 0.00 WT1 H ATOM 10357 OH2 TIP3 2597 46.382 38.316 -2.847 1.00 0.00 WT1 O ATOM 10358 H1 TIP3 2597 45.975 38.550 -2.013 1.00 0.00 WT1 H ATOM 10359 H2 TIP3 2597 46.112 37.411 -3.000 1.00 0.00 WT1 H ATOM 10360 OH2 TIP3 2598 66.744 42.730 23.946 1.00 0.00 WT1 O ATOM 10361 H1 TIP3 2598 66.339 42.169 24.608 1.00 0.00 WT1 H ATOM 10362 H2 TIP3 2598 66.331 43.585 24.071 1.00 0.00 WT1 H ATOM 10363 OH2 TIP3 2599 78.029 63.707 19.157 1.00 0.00 WT1 O ATOM 10364 H1 TIP3 2599 77.317 64.188 18.736 1.00 0.00 WT1 H ATOM 10365 H2 TIP3 2599 78.176 62.951 18.589 1.00 0.00 WT1 H ATOM 10366 OH2 TIP3 2600 64.407 17.118 -15.172 1.00 0.00 WT1 O ATOM 10367 H1 TIP3 2600 64.292 16.626 -15.985 1.00 0.00 WT1 H ATOM 10368 H2 TIP3 2600 65.243 17.572 -15.283 1.00 0.00 WT1 H ATOM 10369 OH2 TIP3 2601 65.644 88.037 14.369 1.00 0.00 WT1 O ATOM 10370 H1 TIP3 2601 64.711 87.832 14.436 1.00 0.00 WT1 H ATOM 10371 H2 TIP3 2601 65.994 87.370 13.779 1.00 0.00 WT1 H ATOM 10372 OH2 TIP3 2602 37.822 64.064 64.672 1.00 0.00 WT1 O ATOM 10373 H1 TIP3 2602 37.674 63.377 65.322 1.00 0.00 WT1 H ATOM 10374 H2 TIP3 2602 38.773 64.087 64.560 1.00 0.00 WT1 H ATOM 10375 OH2 TIP3 2603 67.174 67.385 41.218 1.00 0.00 WT1 O ATOM 10376 H1 TIP3 2603 67.323 67.926 41.993 1.00 0.00 WT1 H ATOM 10377 H2 TIP3 2603 66.250 67.139 41.271 1.00 0.00 WT1 H ATOM 10378 OH2 TIP3 2605 57.634 46.244 38.186 1.00 0.00 WT1 O ATOM 10379 H1 TIP3 2605 57.349 46.860 37.511 1.00 0.00 WT1 H ATOM 10380 H2 TIP3 2605 58.346 46.697 38.638 1.00 0.00 WT1 H ATOM 10381 OH2 TIP3 2606 61.200 13.146 10.322 1.00 0.00 WT1 O ATOM 10382 H1 TIP3 2606 60.609 12.482 9.966 1.00 0.00 WT1 H ATOM 10383 H2 TIP3 2606 61.665 12.699 11.029 1.00 0.00 WT1 H ATOM 10384 OH2 TIP3 2607 50.578 74.527 3.916 1.00 0.00 WT1 O ATOM 10385 H1 TIP3 2607 50.097 73.766 3.591 1.00 0.00 WT1 H ATOM 10386 H2 TIP3 2607 51.169 74.171 4.579 1.00 0.00 WT1 H ATOM 10387 OH2 TIP3 2608 75.468 75.769 63.979 1.00 0.00 WT1 O ATOM 10388 H1 TIP3 2608 75.716 75.358 64.807 1.00 0.00 WT1 H ATOM 10389 H2 TIP3 2608 76.296 75.891 63.515 1.00 0.00 WT1 H ATOM 10390 OH2 TIP3 2609 43.480 22.872 -8.940 1.00 0.00 WT1 O ATOM 10391 H1 TIP3 2609 43.507 23.234 -9.826 1.00 0.00 WT1 H ATOM 10392 H2 TIP3 2609 43.821 21.983 -9.033 1.00 0.00 WT1 H ATOM 10393 OH2 TIP3 2610 50.630 3.127 10.663 1.00 0.00 WT1 O ATOM 10394 H1 TIP3 2610 51.357 3.733 10.520 1.00 0.00 WT1 H ATOM 10395 H2 TIP3 2610 49.850 3.682 10.651 1.00 0.00 WT1 H ATOM 10396 OH2 TIP3 2611 28.978 26.942 32.621 1.00 0.00 WT1 O ATOM 10397 H1 TIP3 2611 29.098 27.766 32.148 1.00 0.00 WT1 H ATOM 10398 H2 TIP3 2611 28.069 26.967 32.920 1.00 0.00 WT1 H ATOM 10399 OH2 TIP3 2612 43.695 54.074 11.880 1.00 0.00 WT1 O ATOM 10400 H1 TIP3 2612 44.072 54.225 12.747 1.00 0.00 WT1 H ATOM 10401 H2 TIP3 2612 43.177 54.859 11.703 1.00 0.00 WT1 H ATOM 10402 OH2 TIP3 2613 20.893 54.042 -15.102 1.00 0.00 WT1 O ATOM 10403 H1 TIP3 2613 21.664 54.555 -14.859 1.00 0.00 WT1 H ATOM 10404 H2 TIP3 2613 21.039 53.808 -16.019 1.00 0.00 WT1 H ATOM 10405 OH2 TIP3 2614 54.264 54.181 14.941 1.00 0.00 WT1 O ATOM 10406 H1 TIP3 2614 54.934 54.322 14.273 1.00 0.00 WT1 H ATOM 10407 H2 TIP3 2614 54.546 53.390 15.400 1.00 0.00 WT1 H ATOM 10408 OH2 TIP3 2615 20.334 44.813 21.922 1.00 0.00 WT1 O ATOM 10409 H1 TIP3 2615 21.074 45.112 22.451 1.00 0.00 WT1 H ATOM 10410 H2 TIP3 2615 20.671 44.794 21.026 1.00 0.00 WT1 H ATOM 10411 OH2 TIP3 2616 78.744 38.918 60.102 1.00 0.00 WT1 O ATOM 10412 H1 TIP3 2616 78.342 38.773 59.245 1.00 0.00 WT1 H ATOM 10413 H2 TIP3 2616 79.129 38.072 60.333 1.00 0.00 WT1 H ATOM 10414 OH2 TIP3 2617 42.380 79.927 48.614 1.00 0.00 WT1 O ATOM 10415 H1 TIP3 2617 41.703 80.508 48.268 1.00 0.00 WT1 H ATOM 10416 H2 TIP3 2617 41.956 79.471 49.342 1.00 0.00 WT1 H ATOM 10417 OH2 TIP3 2618 45.679 37.511 -14.583 1.00 0.00 WT1 O ATOM 10418 H1 TIP3 2618 46.531 37.387 -15.001 1.00 0.00 WT1 H ATOM 10419 H2 TIP3 2618 45.459 38.427 -14.754 1.00 0.00 WT1 H ATOM 10420 OH2 TIP3 2620 49.603 19.520 6.688 1.00 0.00 WT1 O ATOM 10421 H1 TIP3 2620 49.154 18.737 7.005 1.00 0.00 WT1 H ATOM 10422 H2 TIP3 2620 49.791 20.026 7.479 1.00 0.00 WT1 H ATOM 10423 OH2 TIP3 2623 20.761 90.726 55.619 1.00 0.00 WT1 O ATOM 10424 H1 TIP3 2623 20.875 91.532 55.116 1.00 0.00 WT1 H ATOM 10425 H2 TIP3 2623 20.571 91.022 56.509 1.00 0.00 WT1 H ATOM 10426 OH2 TIP3 2625 36.664 68.482 32.204 1.00 0.00 WT1 O ATOM 10427 H1 TIP3 2625 37.496 68.817 31.870 1.00 0.00 WT1 H ATOM 10428 H2 TIP3 2625 36.502 67.689 31.693 1.00 0.00 WT1 H ATOM 10429 OH2 TIP3 2626 34.164 91.652 -9.381 1.00 0.00 WT1 O ATOM 10430 H1 TIP3 2626 33.598 92.398 -9.577 1.00 0.00 WT1 H ATOM 10431 H2 TIP3 2626 34.607 91.894 -8.568 1.00 0.00 WT1 H ATOM 10432 OH2 TIP3 2627 72.419 76.528 44.691 1.00 0.00 WT1 O ATOM 10433 H1 TIP3 2627 72.663 75.643 44.964 1.00 0.00 WT1 H ATOM 10434 H2 TIP3 2627 73.238 76.921 44.390 1.00 0.00 WT1 H ATOM 10435 OH2 TIP3 2628 37.375 53.176 36.727 1.00 0.00 WT1 O ATOM 10436 H1 TIP3 2628 37.788 54.004 36.483 1.00 0.00 WT1 H ATOM 10437 H2 TIP3 2628 36.675 53.427 37.330 1.00 0.00 WT1 H ATOM 10438 OH2 TIP3 2629 33.964 19.827 53.174 1.00 0.00 WT1 O ATOM 10439 H1 TIP3 2629 34.365 19.462 53.963 1.00 0.00 WT1 H ATOM 10440 H2 TIP3 2629 33.698 19.062 52.665 1.00 0.00 WT1 H ATOM 10441 OH2 TIP3 2631 25.578 42.421 2.052 1.00 0.00 WT1 O ATOM 10442 H1 TIP3 2631 25.892 41.907 2.796 1.00 0.00 WT1 H ATOM 10443 H2 TIP3 2631 25.065 43.126 2.447 1.00 0.00 WT1 H ATOM 10444 OH2 TIP3 2632 79.682 46.044 10.023 1.00 0.00 WT1 O ATOM 10445 H1 TIP3 2632 78.815 46.297 10.339 1.00 0.00 WT1 H ATOM 10446 H2 TIP3 2632 80.285 46.629 10.483 1.00 0.00 WT1 H ATOM 10447 OH2 TIP3 2634 31.485 90.771 3.173 1.00 0.00 WT1 O ATOM 10448 H1 TIP3 2634 30.854 91.373 2.777 1.00 0.00 WT1 H ATOM 10449 H2 TIP3 2634 30.988 89.966 3.322 1.00 0.00 WT1 H ATOM 10450 OH2 TIP3 2635 88.576 96.363 -15.059 1.00 0.00 WT1 O ATOM 10451 H1 TIP3 2635 89.467 96.541 -14.757 1.00 0.00 WT1 H ATOM 10452 H2 TIP3 2635 88.086 96.168 -14.261 1.00 0.00 WT1 H ATOM 10453 OH2 TIP3 2637 56.843 52.493 19.798 1.00 0.00 WT1 O ATOM 10454 H1 TIP3 2637 56.370 53.241 19.433 1.00 0.00 WT1 H ATOM 10455 H2 TIP3 2637 56.624 51.764 19.217 1.00 0.00 WT1 H ATOM 10456 OH2 TIP3 2638 33.414 54.855 -0.744 1.00 0.00 WT1 O ATOM 10457 H1 TIP3 2638 33.433 55.792 -0.549 1.00 0.00 WT1 H ATOM 10458 H2 TIP3 2638 33.851 54.446 0.003 1.00 0.00 WT1 H ATOM 10459 OH2 TIP3 2639 48.742 25.234 47.613 1.00 0.00 WT1 O ATOM 10460 H1 TIP3 2639 48.215 26.030 47.548 1.00 0.00 WT1 H ATOM 10461 H2 TIP3 2639 49.178 25.164 46.764 1.00 0.00 WT1 H ATOM 10462 OH2 TIP3 2641 28.128 86.985 52.628 1.00 0.00 WT1 O ATOM 10463 H1 TIP3 2641 28.923 86.547 52.933 1.00 0.00 WT1 H ATOM 10464 H2 TIP3 2641 28.353 87.916 52.630 1.00 0.00 WT1 H ATOM 10465 OH2 TIP3 2642 77.554 46.880 31.114 1.00 0.00 WT1 O ATOM 10466 H1 TIP3 2642 76.755 46.353 31.097 1.00 0.00 WT1 H ATOM 10467 H2 TIP3 2642 77.473 47.463 30.359 1.00 0.00 WT1 H ATOM 10468 OH2 TIP3 2644 82.792 68.872 26.364 1.00 0.00 WT1 O ATOM 10469 H1 TIP3 2644 82.122 68.439 25.835 1.00 0.00 WT1 H ATOM 10470 H2 TIP3 2644 83.572 68.326 26.256 1.00 0.00 WT1 H ATOM 10471 OH2 TIP3 2646 83.275 22.946 41.769 1.00 0.00 WT1 O ATOM 10472 H1 TIP3 2646 82.375 23.225 41.600 1.00 0.00 WT1 H ATOM 10473 H2 TIP3 2646 83.621 23.604 42.372 1.00 0.00 WT1 H ATOM 10474 OH2 TIP3 2647 72.637 94.578 -19.542 1.00 0.00 WT1 O ATOM 10475 H1 TIP3 2647 72.472 94.385 -18.619 1.00 0.00 WT1 H ATOM 10476 H2 TIP3 2647 72.915 93.743 -19.917 1.00 0.00 WT1 H ATOM 10477 OH2 TIP3 2648 79.570 84.816 -6.678 1.00 0.00 WT1 O ATOM 10478 H1 TIP3 2648 79.599 84.063 -7.268 1.00 0.00 WT1 H ATOM 10479 H2 TIP3 2648 80.214 84.613 -5.999 1.00 0.00 WT1 H ATOM 10480 OH2 TIP3 2649 34.307 7.439 61.195 1.00 0.00 WT1 O ATOM 10481 H1 TIP3 2649 34.547 6.560 61.489 1.00 0.00 WT1 H ATOM 10482 H2 TIP3 2649 33.409 7.558 61.504 1.00 0.00 WT1 H ATOM 10483 OH2 TIP3 2650 35.579 73.306 8.440 1.00 0.00 WT1 O ATOM 10484 H1 TIP3 2650 35.816 73.148 7.526 1.00 0.00 WT1 H ATOM 10485 H2 TIP3 2650 36.348 73.028 8.938 1.00 0.00 WT1 H ATOM 10486 OH2 TIP3 2651 27.100 47.211 -3.948 1.00 0.00 WT1 O ATOM 10487 H1 TIP3 2651 26.959 47.284 -4.892 1.00 0.00 WT1 H ATOM 10488 H2 TIP3 2651 26.257 47.448 -3.561 1.00 0.00 WT1 H ATOM 10489 OH2 TIP3 2653 90.475 84.674 0.030 1.00 0.00 WT1 O ATOM 10490 H1 TIP3 2653 90.874 84.772 -0.835 1.00 0.00 WT1 H ATOM 10491 H2 TIP3 2653 89.552 84.891 -0.106 1.00 0.00 WT1 H ATOM 10492 OH2 TIP3 2654 24.500 46.860 7.960 1.00 0.00 WT1 O ATOM 10493 H1 TIP3 2654 24.481 47.797 7.763 1.00 0.00 WT1 H ATOM 10494 H2 TIP3 2654 24.468 46.814 8.915 1.00 0.00 WT1 H ATOM 10495 OH2 TIP3 2655 41.720 91.556 17.784 1.00 0.00 WT1 O ATOM 10496 H1 TIP3 2655 41.538 90.623 17.899 1.00 0.00 WT1 H ATOM 10497 H2 TIP3 2655 41.784 91.672 16.836 1.00 0.00 WT1 H ATOM 10498 OH2 TIP3 2656 30.287 15.946 7.694 1.00 0.00 WT1 O ATOM 10499 H1 TIP3 2656 29.946 16.152 8.565 1.00 0.00 WT1 H ATOM 10500 H2 TIP3 2656 31.237 15.926 7.807 1.00 0.00 WT1 H ATOM 10501 OH2 TIP3 2657 89.922 21.576 35.898 1.00 0.00 WT1 O ATOM 10502 H1 TIP3 2657 90.413 22.277 36.328 1.00 0.00 WT1 H ATOM 10503 H2 TIP3 2657 90.093 21.701 34.965 1.00 0.00 WT1 H ATOM 10504 OH2 TIP3 2658 41.787 67.569 18.151 1.00 0.00 WT1 O ATOM 10505 H1 TIP3 2658 42.003 67.379 19.064 1.00 0.00 WT1 H ATOM 10506 H2 TIP3 2658 42.282 66.922 17.648 1.00 0.00 WT1 H ATOM 10507 OH2 TIP3 2659 33.649 89.727 -3.703 1.00 0.00 WT1 O ATOM 10508 H1 TIP3 2659 33.153 88.919 -3.831 1.00 0.00 WT1 H ATOM 10509 H2 TIP3 2659 34.449 89.601 -4.214 1.00 0.00 WT1 H ATOM 10510 OH2 TIP3 2660 56.065 94.220 15.841 1.00 0.00 WT1 O ATOM 10511 H1 TIP3 2660 55.298 94.718 16.125 1.00 0.00 WT1 H ATOM 10512 H2 TIP3 2660 56.015 94.226 14.885 1.00 0.00 WT1 H ATOM 10513 OH2 TIP3 2661 86.625 74.143 14.295 1.00 0.00 WT1 O ATOM 10514 H1 TIP3 2661 86.305 74.897 14.790 1.00 0.00 WT1 H ATOM 10515 H2 TIP3 2661 87.105 73.621 14.938 1.00 0.00 WT1 H ATOM 10516 OH2 TIP3 2662 43.247 4.158 9.105 1.00 0.00 WT1 O ATOM 10517 H1 TIP3 2662 42.684 4.310 9.864 1.00 0.00 WT1 H ATOM 10518 H2 TIP3 2662 42.869 3.391 8.674 1.00 0.00 WT1 H ATOM 10519 OH2 TIP3 2663 81.568 50.723 28.887 1.00 0.00 WT1 O ATOM 10520 H1 TIP3 2663 80.726 51.177 28.926 1.00 0.00 WT1 H ATOM 10521 H2 TIP3 2663 81.632 50.265 29.725 1.00 0.00 WT1 H ATOM 10522 OH2 TIP3 2664 81.101 68.075 10.596 1.00 0.00 WT1 O ATOM 10523 H1 TIP3 2664 80.630 67.490 10.002 1.00 0.00 WT1 H ATOM 10524 H2 TIP3 2664 81.716 67.503 11.057 1.00 0.00 WT1 H ATOM 10525 OH2 TIP3 2665 50.255 76.975 -5.489 1.00 0.00 WT1 O ATOM 10526 H1 TIP3 2665 49.809 77.173 -6.312 1.00 0.00 WT1 H ATOM 10527 H2 TIP3 2665 50.536 77.828 -5.157 1.00 0.00 WT1 H ATOM 10528 OH2 TIP3 2666 40.727 65.821 50.205 1.00 0.00 WT1 O ATOM 10529 H1 TIP3 2666 40.261 66.083 51.000 1.00 0.00 WT1 H ATOM 10530 H2 TIP3 2666 40.948 66.646 49.774 1.00 0.00 WT1 H ATOM 10531 OH2 TIP3 2667 60.331 79.320 53.030 1.00 0.00 WT1 O ATOM 10532 H1 TIP3 2667 60.327 79.915 52.280 1.00 0.00 WT1 H ATOM 10533 H2 TIP3 2667 60.338 79.898 53.794 1.00 0.00 WT1 H ATOM 10534 OH2 TIP3 2668 47.790 81.253 50.295 1.00 0.00 WT1 O ATOM 10535 H1 TIP3 2668 48.589 80.741 50.166 1.00 0.00 WT1 H ATOM 10536 H2 TIP3 2668 47.091 80.599 50.338 1.00 0.00 WT1 H ATOM 10537 OH2 TIP3 2669 73.614 87.277 45.354 1.00 0.00 WT1 O ATOM 10538 H1 TIP3 2669 73.526 86.984 46.261 1.00 0.00 WT1 H ATOM 10539 H2 TIP3 2669 73.466 88.222 45.391 1.00 0.00 WT1 H ATOM 10540 OH2 TIP3 2670 24.435 70.888 38.482 1.00 0.00 WT1 O ATOM 10541 H1 TIP3 2670 23.835 71.341 37.890 1.00 0.00 WT1 H ATOM 10542 H2 TIP3 2670 24.650 70.073 38.029 1.00 0.00 WT1 H ATOM 10543 OH2 TIP3 2672 88.906 30.868 21.860 1.00 0.00 WT1 O ATOM 10544 H1 TIP3 2672 89.650 31.392 21.562 1.00 0.00 WT1 H ATOM 10545 H2 TIP3 2672 89.121 30.639 22.764 1.00 0.00 WT1 H ATOM 10546 OH2 TIP3 2673 77.988 3.285 -9.466 1.00 0.00 WT1 O ATOM 10547 H1 TIP3 2673 77.513 2.903 -8.727 1.00 0.00 WT1 H ATOM 10548 H2 TIP3 2673 77.340 3.334 -10.168 1.00 0.00 WT1 H ATOM 10549 OH2 TIP3 2674 29.115 79.621 24.882 1.00 0.00 WT1 O ATOM 10550 H1 TIP3 2674 28.688 79.887 24.068 1.00 0.00 WT1 H ATOM 10551 H2 TIP3 2674 28.435 79.155 25.369 1.00 0.00 WT1 H ATOM 10552 OH2 TIP3 2675 61.869 54.457 -16.680 1.00 0.00 WT1 O ATOM 10553 H1 TIP3 2675 62.159 54.148 -15.821 1.00 0.00 WT1 H ATOM 10554 H2 TIP3 2675 60.922 54.565 -16.589 1.00 0.00 WT1 H ATOM 10555 OH2 TIP3 2676 59.550 23.919 14.509 1.00 0.00 WT1 O ATOM 10556 H1 TIP3 2676 58.936 24.570 14.170 1.00 0.00 WT1 H ATOM 10557 H2 TIP3 2676 59.691 23.318 13.777 1.00 0.00 WT1 H ATOM 10558 OH2 TIP3 2677 53.917 79.189 34.304 1.00 0.00 WT1 O ATOM 10559 H1 TIP3 2677 54.796 78.892 34.538 1.00 0.00 WT1 H ATOM 10560 H2 TIP3 2677 53.410 78.384 34.204 1.00 0.00 WT1 H ATOM 10561 OH2 TIP3 2678 74.069 60.659 14.527 1.00 0.00 WT1 O ATOM 10562 H1 TIP3 2678 73.378 60.984 13.950 1.00 0.00 WT1 H ATOM 10563 H2 TIP3 2678 73.608 60.370 15.315 1.00 0.00 WT1 H ATOM 10564 OH2 TIP3 2679 28.941 26.483 12.958 1.00 0.00 WT1 O ATOM 10565 H1 TIP3 2679 29.123 25.726 12.401 1.00 0.00 WT1 H ATOM 10566 H2 TIP3 2679 28.867 26.119 13.840 1.00 0.00 WT1 H ATOM 10567 OH2 TIP3 2680 79.284 28.803 15.720 1.00 0.00 WT1 O ATOM 10568 H1 TIP3 2680 78.498 28.262 15.785 1.00 0.00 WT1 H ATOM 10569 H2 TIP3 2680 78.998 29.588 15.253 1.00 0.00 WT1 H ATOM 10570 OH2 TIP3 2681 45.860 16.891 39.183 1.00 0.00 WT1 O ATOM 10571 H1 TIP3 2681 45.351 16.168 39.550 1.00 0.00 WT1 H ATOM 10572 H2 TIP3 2681 45.351 17.674 39.395 1.00 0.00 WT1 H ATOM 10573 OH2 TIP3 2682 86.603 94.184 22.737 1.00 0.00 WT1 O ATOM 10574 H1 TIP3 2682 86.495 95.012 22.268 1.00 0.00 WT1 H ATOM 10575 H2 TIP3 2682 85.870 93.644 22.442 1.00 0.00 WT1 H ATOM 10576 OH2 TIP3 2683 75.133 77.820 -6.635 1.00 0.00 WT1 O ATOM 10577 H1 TIP3 2683 75.737 78.376 -6.142 1.00 0.00 WT1 H ATOM 10578 H2 TIP3 2683 75.674 77.423 -7.317 1.00 0.00 WT1 H ATOM 10579 OH2 TIP3 2684 68.602 25.169 6.808 1.00 0.00 WT1 O ATOM 10580 H1 TIP3 2684 69.184 24.737 7.433 1.00 0.00 WT1 H ATOM 10581 H2 TIP3 2684 69.051 25.089 5.966 1.00 0.00 WT1 H ATOM 10582 OH2 TIP3 2685 75.172 83.099 54.103 1.00 0.00 WT1 O ATOM 10583 H1 TIP3 2685 75.612 82.400 54.588 1.00 0.00 WT1 H ATOM 10584 H2 TIP3 2685 74.246 82.859 54.124 1.00 0.00 WT1 H ATOM 10585 OH2 TIP3 2686 65.701 5.486 -9.029 1.00 0.00 WT1 O ATOM 10586 H1 TIP3 2686 66.215 6.168 -9.463 1.00 0.00 WT1 H ATOM 10587 H2 TIP3 2686 65.959 5.540 -8.109 1.00 0.00 WT1 H ATOM 10588 OH2 TIP3 2688 53.494 19.560 13.081 1.00 0.00 WT1 O ATOM 10589 H1 TIP3 2688 52.539 19.595 13.121 1.00 0.00 WT1 H ATOM 10590 H2 TIP3 2688 53.733 20.243 12.454 1.00 0.00 WT1 H ATOM 10591 OH2 TIP3 2689 52.576 17.675 11.192 1.00 0.00 WT1 O ATOM 10592 H1 TIP3 2689 52.935 18.281 10.544 1.00 0.00 WT1 H ATOM 10593 H2 TIP3 2689 52.494 18.198 11.990 1.00 0.00 WT1 H ATOM 10594 OH2 TIP3 2690 68.798 94.786 54.135 1.00 0.00 WT1 O ATOM 10595 H1 TIP3 2690 68.843 93.840 54.272 1.00 0.00 WT1 H ATOM 10596 H2 TIP3 2690 69.653 95.111 54.417 1.00 0.00 WT1 H ATOM 10597 OH2 TIP3 2691 22.474 95.483 61.421 1.00 0.00 WT1 O ATOM 10598 H1 TIP3 2691 22.845 96.194 61.943 1.00 0.00 WT1 H ATOM 10599 H2 TIP3 2691 23.133 95.309 60.749 1.00 0.00 WT1 H ATOM 10600 OH2 TIP3 2692 48.317 89.440 3.117 1.00 0.00 WT1 O ATOM 10601 H1 TIP3 2692 48.388 90.395 3.128 1.00 0.00 WT1 H ATOM 10602 H2 TIP3 2692 48.041 89.210 4.004 1.00 0.00 WT1 H ATOM 10603 OH2 TIP3 2693 71.603 87.645 24.036 1.00 0.00 WT1 O ATOM 10604 H1 TIP3 2693 71.003 87.175 23.456 1.00 0.00 WT1 H ATOM 10605 H2 TIP3 2693 72.441 87.635 23.574 1.00 0.00 WT1 H ATOM 10606 OH2 TIP3 2694 38.413 21.387 3.596 1.00 0.00 WT1 O ATOM 10607 H1 TIP3 2694 37.595 21.156 4.036 1.00 0.00 WT1 H ATOM 10608 H2 TIP3 2694 38.896 21.902 4.242 1.00 0.00 WT1 H ATOM 10609 OH2 TIP3 2695 44.821 13.699 18.636 1.00 0.00 WT1 O ATOM 10610 H1 TIP3 2695 44.570 13.106 17.928 1.00 0.00 WT1 H ATOM 10611 H2 TIP3 2695 44.403 14.531 18.413 1.00 0.00 WT1 H ATOM 10612 OH2 TIP3 2696 57.964 39.697 -9.359 1.00 0.00 WT1 O ATOM 10613 H1 TIP3 2696 57.777 40.620 -9.529 1.00 0.00 WT1 H ATOM 10614 H2 TIP3 2696 58.507 39.703 -8.571 1.00 0.00 WT1 H ATOM 10615 OH2 TIP3 2697 45.564 19.737 39.800 1.00 0.00 WT1 O ATOM 10616 H1 TIP3 2697 45.079 20.139 39.080 1.00 0.00 WT1 H ATOM 10617 H2 TIP3 2697 46.480 19.944 39.617 1.00 0.00 WT1 H ATOM 10618 OH2 TIP3 2698 38.663 52.881 45.665 1.00 0.00 WT1 O ATOM 10619 H1 TIP3 2698 38.675 53.289 46.530 1.00 0.00 WT1 H ATOM 10620 H2 TIP3 2698 39.587 52.788 45.431 1.00 0.00 WT1 H ATOM 10621 OH2 TIP3 2700 85.187 2.826 54.066 1.00 0.00 WT1 O ATOM 10622 H1 TIP3 2700 84.462 2.711 54.680 1.00 0.00 WT1 H ATOM 10623 H2 TIP3 2700 85.868 3.262 54.578 1.00 0.00 WT1 H ATOM 10624 OH2 TIP3 2701 25.672 70.805 16.564 1.00 0.00 WT1 O ATOM 10625 H1 TIP3 2701 26.469 71.261 16.293 1.00 0.00 WT1 H ATOM 10626 H2 TIP3 2701 25.971 70.163 17.208 1.00 0.00 WT1 H ATOM 10627 OH2 TIP3 2702 47.387 96.197 -19.060 1.00 0.00 WT1 O ATOM 10628 H1 TIP3 2702 47.542 97.113 -18.826 1.00 0.00 WT1 H ATOM 10629 H2 TIP3 2702 46.804 95.870 -18.375 1.00 0.00 WT1 H ATOM 10630 OH2 TIP3 2703 41.369 11.992 35.226 1.00 0.00 WT1 O ATOM 10631 H1 TIP3 2703 40.429 11.859 35.349 1.00 0.00 WT1 H ATOM 10632 H2 TIP3 2703 41.508 11.869 34.287 1.00 0.00 WT1 H ATOM 10633 OH2 TIP3 2705 87.311 86.905 50.603 1.00 0.00 WT1 O ATOM 10634 H1 TIP3 2705 87.533 87.460 51.351 1.00 0.00 WT1 H ATOM 10635 H2 TIP3 2705 86.373 86.740 50.697 1.00 0.00 WT1 H ATOM 10636 OH2 TIP3 2706 54.328 4.346 8.121 1.00 0.00 WT1 O ATOM 10637 H1 TIP3 2706 54.239 3.497 8.553 1.00 0.00 WT1 H ATOM 10638 H2 TIP3 2706 53.503 4.464 7.650 1.00 0.00 WT1 H ATOM 10639 OH2 TIP3 2707 75.990 18.681 46.702 1.00 0.00 WT1 O ATOM 10640 H1 TIP3 2707 76.913 18.625 46.950 1.00 0.00 WT1 H ATOM 10641 H2 TIP3 2707 75.636 17.812 46.894 1.00 0.00 WT1 H ATOM 10642 OH2 TIP3 2708 87.903 19.070 55.975 1.00 0.00 WT1 O ATOM 10643 H1 TIP3 2708 88.615 19.630 56.283 1.00 0.00 WT1 H ATOM 10644 H2 TIP3 2708 87.106 19.538 56.223 1.00 0.00 WT1 H ATOM 10645 OH2 TIP3 2709 51.069 94.681 2.327 1.00 0.00 WT1 O ATOM 10646 H1 TIP3 2709 50.909 93.979 2.958 1.00 0.00 WT1 H ATOM 10647 H2 TIP3 2709 51.341 95.427 2.861 1.00 0.00 WT1 H ATOM 10648 OH2 TIP3 2710 68.464 21.026 55.160 1.00 0.00 WT1 O ATOM 10649 H1 TIP3 2710 68.626 21.966 55.243 1.00 0.00 WT1 H ATOM 10650 H2 TIP3 2710 68.999 20.629 55.847 1.00 0.00 WT1 H ATOM 10651 OH2 TIP3 2711 36.353 66.091 -6.751 1.00 0.00 WT1 O ATOM 10652 H1 TIP3 2711 35.611 66.591 -7.091 1.00 0.00 WT1 H ATOM 10653 H2 TIP3 2711 37.042 66.210 -7.404 1.00 0.00 WT1 H ATOM 10654 OH2 TIP3 2712 89.170 81.983 -10.372 1.00 0.00 WT1 O ATOM 10655 H1 TIP3 2712 89.518 81.898 -9.485 1.00 0.00 WT1 H ATOM 10656 H2 TIP3 2712 89.791 81.505 -10.921 1.00 0.00 WT1 H ATOM 10657 OH2 TIP3 2713 21.308 67.798 53.079 1.00 0.00 WT1 O ATOM 10658 H1 TIP3 2713 21.448 68.265 53.902 1.00 0.00 WT1 H ATOM 10659 H2 TIP3 2713 20.509 67.292 53.223 1.00 0.00 WT1 H ATOM 10660 OH2 TIP3 2714 32.153 44.648 32.113 1.00 0.00 WT1 O ATOM 10661 H1 TIP3 2714 32.748 45.321 32.443 1.00 0.00 WT1 H ATOM 10662 H2 TIP3 2714 32.389 44.552 31.190 1.00 0.00 WT1 H ATOM 10663 OH2 TIP3 2715 59.428 18.585 0.617 1.00 0.00 WT1 O ATOM 10664 H1 TIP3 2715 59.634 17.781 0.139 1.00 0.00 WT1 H ATOM 10665 H2 TIP3 2715 59.046 19.165 -0.042 1.00 0.00 WT1 H ATOM 10666 OH2 TIP3 2717 56.306 51.681 -2.538 1.00 0.00 WT1 O ATOM 10667 H1 TIP3 2717 55.836 51.568 -1.712 1.00 0.00 WT1 H ATOM 10668 H2 TIP3 2717 57.175 51.987 -2.279 1.00 0.00 WT1 H ATOM 10669 OH2 TIP3 2718 73.683 13.923 6.419 1.00 0.00 WT1 O ATOM 10670 H1 TIP3 2718 74.634 13.957 6.523 1.00 0.00 WT1 H ATOM 10671 H2 TIP3 2718 73.551 13.635 5.516 1.00 0.00 WT1 H ATOM 10672 OH2 TIP3 2719 27.054 13.881 63.290 1.00 0.00 WT1 O ATOM 10673 H1 TIP3 2719 27.672 13.837 64.019 1.00 0.00 WT1 H ATOM 10674 H2 TIP3 2719 26.206 14.040 63.703 1.00 0.00 WT1 H ATOM 10675 OH2 TIP3 2720 46.112 83.221 15.841 1.00 0.00 WT1 O ATOM 10676 H1 TIP3 2720 45.604 82.411 15.793 1.00 0.00 WT1 H ATOM 10677 H2 TIP3 2720 46.226 83.487 14.929 1.00 0.00 WT1 H ATOM 10678 OH2 TIP3 2721 83.130 2.520 55.841 1.00 0.00 WT1 O ATOM 10679 H1 TIP3 2721 82.927 1.938 56.574 1.00 0.00 WT1 H ATOM 10680 H2 TIP3 2721 83.329 3.361 56.250 1.00 0.00 WT1 H ATOM 10681 OH2 TIP3 2722 51.081 59.849 52.192 1.00 0.00 WT1 O ATOM 10682 H1 TIP3 2722 50.915 59.421 51.352 1.00 0.00 WT1 H ATOM 10683 H2 TIP3 2722 51.501 60.677 51.961 1.00 0.00 WT1 H ATOM 10684 OH2 TIP3 2723 66.665 95.580 -14.853 1.00 0.00 WT1 O ATOM 10685 H1 TIP3 2723 66.048 94.903 -15.130 1.00 0.00 WT1 H ATOM 10686 H2 TIP3 2723 67.117 95.199 -14.100 1.00 0.00 WT1 H ATOM 10687 OH2 TIP3 2724 32.765 3.185 41.818 1.00 0.00 WT1 O ATOM 10688 H1 TIP3 2724 33.049 4.046 42.123 1.00 0.00 WT1 H ATOM 10689 H2 TIP3 2724 33.576 2.734 41.584 1.00 0.00 WT1 H ATOM 10690 OH2 TIP3 2725 20.870 32.257 11.019 1.00 0.00 WT1 O ATOM 10691 H1 TIP3 2725 21.138 31.819 10.211 1.00 0.00 WT1 H ATOM 10692 H2 TIP3 2725 21.566 32.892 11.189 1.00 0.00 WT1 H ATOM 10693 OH2 TIP3 2726 42.751 55.028 54.413 1.00 0.00 WT1 O ATOM 10694 H1 TIP3 2726 42.252 55.366 53.669 1.00 0.00 WT1 H ATOM 10695 H2 TIP3 2726 43.328 55.750 54.662 1.00 0.00 WT1 H ATOM 10696 OH2 TIP3 2727 82.753 52.268 37.277 1.00 0.00 WT1 O ATOM 10697 H1 TIP3 2727 82.977 52.813 38.032 1.00 0.00 WT1 H ATOM 10698 H2 TIP3 2727 82.688 52.883 36.547 1.00 0.00 WT1 H ATOM 10699 OH2 TIP3 2728 79.306 83.972 44.889 1.00 0.00 WT1 O ATOM 10700 H1 TIP3 2728 80.094 83.503 44.615 1.00 0.00 WT1 H ATOM 10701 H2 TIP3 2728 79.539 84.897 44.812 1.00 0.00 WT1 H ATOM 10702 OH2 TIP3 2729 58.383 12.351 -8.798 1.00 0.00 WT1 O ATOM 10703 H1 TIP3 2729 57.516 12.311 -8.395 1.00 0.00 WT1 H ATOM 10704 H2 TIP3 2729 58.938 11.818 -8.229 1.00 0.00 WT1 H ATOM 10705 OH2 TIP3 2730 26.814 11.902 45.929 1.00 0.00 WT1 O ATOM 10706 H1 TIP3 2730 26.903 12.823 46.175 1.00 0.00 WT1 H ATOM 10707 H2 TIP3 2730 27.713 11.603 45.789 1.00 0.00 WT1 H ATOM 10708 OH2 TIP3 2732 30.995 78.550 1.939 1.00 0.00 WT1 O ATOM 10709 H1 TIP3 2732 30.748 79.468 1.820 1.00 0.00 WT1 H ATOM 10710 H2 TIP3 2732 31.338 78.507 2.831 1.00 0.00 WT1 H ATOM 10711 OH2 TIP3 2733 62.889 86.820 54.316 1.00 0.00 WT1 O ATOM 10712 H1 TIP3 2733 63.790 86.606 54.072 1.00 0.00 WT1 H ATOM 10713 H2 TIP3 2733 62.679 87.599 53.800 1.00 0.00 WT1 H ATOM 10714 OH2 TIP3 2734 42.413 89.830 55.673 1.00 0.00 WT1 O ATOM 10715 H1 TIP3 2734 41.689 89.727 55.055 1.00 0.00 WT1 H ATOM 10716 H2 TIP3 2734 43.114 89.287 55.314 1.00 0.00 WT1 H ATOM 10717 OH2 TIP3 2735 34.748 24.764 30.172 1.00 0.00 WT1 O ATOM 10718 H1 TIP3 2735 35.149 24.584 31.022 1.00 0.00 WT1 H ATOM 10719 H2 TIP3 2735 35.397 25.291 29.707 1.00 0.00 WT1 H ATOM 10720 OH2 TIP3 2736 76.282 44.993 0.574 1.00 0.00 WT1 O ATOM 10721 H1 TIP3 2736 76.127 45.246 1.484 1.00 0.00 WT1 H ATOM 10722 H2 TIP3 2736 76.291 45.821 0.093 1.00 0.00 WT1 H ATOM 10723 OH2 TIP3 2737 26.875 12.747 10.076 1.00 0.00 WT1 O ATOM 10724 H1 TIP3 2737 27.639 13.212 10.420 1.00 0.00 WT1 H ATOM 10725 H2 TIP3 2737 27.203 12.284 9.305 1.00 0.00 WT1 H ATOM 10726 OH2 TIP3 2738 25.324 93.906 44.186 1.00 0.00 WT1 O ATOM 10727 H1 TIP3 2738 25.334 94.166 43.265 1.00 0.00 WT1 H ATOM 10728 H2 TIP3 2738 24.443 94.124 44.488 1.00 0.00 WT1 H ATOM 10729 OH2 TIP3 2739 50.890 18.909 1.661 1.00 0.00 WT1 O ATOM 10730 H1 TIP3 2739 50.778 19.835 1.445 1.00 0.00 WT1 H ATOM 10731 H2 TIP3 2739 50.010 18.607 1.885 1.00 0.00 WT1 H ATOM 10732 OH2 TIP3 2740 25.335 77.249 56.134 1.00 0.00 WT1 O ATOM 10733 H1 TIP3 2740 26.078 77.347 56.728 1.00 0.00 WT1 H ATOM 10734 H2 TIP3 2740 25.237 78.111 55.728 1.00 0.00 WT1 H ATOM 10735 OH2 TIP3 2741 24.481 72.907 -0.165 1.00 0.00 WT1 O ATOM 10736 H1 TIP3 2741 23.767 72.543 -0.688 1.00 0.00 WT1 H ATOM 10737 H2 TIP3 2741 24.494 72.373 0.629 1.00 0.00 WT1 H ATOM 10738 OH2 TIP3 2742 67.513 29.560 30.487 1.00 0.00 WT1 O ATOM 10739 H1 TIP3 2742 67.290 29.084 31.287 1.00 0.00 WT1 H ATOM 10740 H2 TIP3 2742 66.710 29.544 29.966 1.00 0.00 WT1 H ATOM 10741 OH2 TIP3 2743 46.660 96.437 -11.570 1.00 0.00 WT1 O ATOM 10742 H1 TIP3 2743 46.206 95.634 -11.313 1.00 0.00 WT1 H ATOM 10743 H2 TIP3 2743 47.526 96.142 -11.852 1.00 0.00 WT1 H ATOM 10744 OH2 TIP3 2744 50.974 19.912 45.221 1.00 0.00 WT1 O ATOM 10745 H1 TIP3 2744 50.023 19.922 45.326 1.00 0.00 WT1 H ATOM 10746 H2 TIP3 2744 51.220 18.996 45.350 1.00 0.00 WT1 H ATOM 10747 OH2 TIP3 2745 41.584 19.766 50.951 1.00 0.00 WT1 O ATOM 10748 H1 TIP3 2745 41.609 18.936 50.474 1.00 0.00 WT1 H ATOM 10749 H2 TIP3 2745 41.156 20.376 50.350 1.00 0.00 WT1 H ATOM 10750 OH2 TIP3 2746 29.286 92.907 31.827 1.00 0.00 WT1 O ATOM 10751 H1 TIP3 2746 29.283 93.235 30.927 1.00 0.00 WT1 H ATOM 10752 H2 TIP3 2746 29.296 93.695 32.369 1.00 0.00 WT1 H ATOM 10753 OH2 TIP3 2747 66.427 2.556 -1.069 1.00 0.00 WT1 O ATOM 10754 H1 TIP3 2747 67.047 3.202 -1.409 1.00 0.00 WT1 H ATOM 10755 H2 TIP3 2747 66.335 1.917 -1.775 1.00 0.00 WT1 H ATOM 10756 OH2 TIP3 2748 26.494 20.000 11.919 1.00 0.00 WT1 O ATOM 10757 H1 TIP3 2748 26.522 20.054 10.964 1.00 0.00 WT1 H ATOM 10758 H2 TIP3 2748 26.857 19.137 12.122 1.00 0.00 WT1 H ATOM 10759 OH2 TIP3 2749 45.214 91.724 -8.118 1.00 0.00 WT1 O ATOM 10760 H1 TIP3 2749 44.754 90.916 -7.891 1.00 0.00 WT1 H ATOM 10761 H2 TIP3 2749 44.585 92.219 -8.642 1.00 0.00 WT1 H ATOM 10762 OH2 TIP3 2750 48.246 84.650 -2.392 1.00 0.00 WT1 O ATOM 10763 H1 TIP3 2750 49.196 84.645 -2.274 1.00 0.00 WT1 H ATOM 10764 H2 TIP3 2750 48.101 85.216 -3.149 1.00 0.00 WT1 H ATOM 10765 OH2 TIP3 2752 23.509 40.212 18.705 1.00 0.00 WT1 O ATOM 10766 H1 TIP3 2752 23.058 40.990 19.032 1.00 0.00 WT1 H ATOM 10767 H2 TIP3 2752 23.182 40.101 17.813 1.00 0.00 WT1 H ATOM 10768 OH2 TIP3 2753 29.485 18.684 15.336 1.00 0.00 WT1 O ATOM 10769 H1 TIP3 2753 29.071 19.060 16.112 1.00 0.00 WT1 H ATOM 10770 H2 TIP3 2753 29.980 19.408 14.952 1.00 0.00 WT1 H ATOM 10771 OH2 TIP3 2754 50.708 29.508 59.997 1.00 0.00 WT1 O ATOM 10772 H1 TIP3 2754 50.594 29.142 59.120 1.00 0.00 WT1 H ATOM 10773 H2 TIP3 2754 50.445 30.424 59.911 1.00 0.00 WT1 H ATOM 10774 OH2 TIP3 2755 40.538 92.170 -3.541 1.00 0.00 WT1 O ATOM 10775 H1 TIP3 2755 39.735 92.666 -3.699 1.00 0.00 WT1 H ATOM 10776 H2 TIP3 2755 40.892 92.538 -2.731 1.00 0.00 WT1 H ATOM 10777 OH2 TIP3 2756 36.188 19.077 -0.074 1.00 0.00 WT1 O ATOM 10778 H1 TIP3 2756 36.422 19.996 0.055 1.00 0.00 WT1 H ATOM 10779 H2 TIP3 2756 36.809 18.762 -0.731 1.00 0.00 WT1 H ATOM 10780 OH2 TIP3 2757 82.230 63.480 -13.204 1.00 0.00 WT1 O ATOM 10781 H1 TIP3 2757 82.290 62.607 -13.592 1.00 0.00 WT1 H ATOM 10782 H2 TIP3 2757 82.381 63.339 -12.270 1.00 0.00 WT1 H ATOM 10783 OH2 TIP3 2758 28.082 75.335 7.175 1.00 0.00 WT1 O ATOM 10784 H1 TIP3 2758 28.963 75.611 7.429 1.00 0.00 WT1 H ATOM 10785 H2 TIP3 2758 27.731 74.905 7.955 1.00 0.00 WT1 H ATOM 10786 OH2 TIP3 2760 63.743 32.366 19.924 1.00 0.00 WT1 O ATOM 10787 H1 TIP3 2760 63.223 32.715 19.200 1.00 0.00 WT1 H ATOM 10788 H2 TIP3 2760 63.105 31.926 20.487 1.00 0.00 WT1 H ATOM 10789 OH2 TIP3 2761 49.957 83.864 -5.868 1.00 0.00 WT1 O ATOM 10790 H1 TIP3 2761 49.554 83.012 -6.036 1.00 0.00 WT1 H ATOM 10791 H2 TIP3 2761 50.160 84.210 -6.737 1.00 0.00 WT1 H ATOM 10792 OH2 TIP3 2763 40.337 63.898 39.337 1.00 0.00 WT1 O ATOM 10793 H1 TIP3 2763 41.028 63.787 38.684 1.00 0.00 WT1 H ATOM 10794 H2 TIP3 2763 40.309 64.841 39.499 1.00 0.00 WT1 H ATOM 10795 OH2 TIP3 2764 48.779 51.908 -9.913 1.00 0.00 WT1 O ATOM 10796 H1 TIP3 2764 49.686 52.076 -9.656 1.00 0.00 WT1 H ATOM 10797 H2 TIP3 2764 48.837 51.629 -10.827 1.00 0.00 WT1 H ATOM 10798 OH2 TIP3 2765 39.087 20.435 13.959 1.00 0.00 WT1 O ATOM 10799 H1 TIP3 2765 39.449 19.644 14.360 1.00 0.00 WT1 H ATOM 10800 H2 TIP3 2765 39.177 21.108 14.633 1.00 0.00 WT1 H ATOM 10801 OH2 TIP3 2766 58.324 18.059 59.016 1.00 0.00 WT1 O ATOM 10802 H1 TIP3 2766 58.815 18.798 58.657 1.00 0.00 WT1 H ATOM 10803 H2 TIP3 2766 58.891 17.704 59.701 1.00 0.00 WT1 H ATOM 10804 OH2 TIP3 2767 88.555 59.962 -10.429 1.00 0.00 WT1 O ATOM 10805 H1 TIP3 2767 88.728 59.025 -10.338 1.00 0.00 WT1 H ATOM 10806 H2 TIP3 2767 89.334 60.308 -10.865 1.00 0.00 WT1 H ATOM 10807 OH2 TIP3 2769 34.604 53.126 61.599 1.00 0.00 WT1 O ATOM 10808 H1 TIP3 2769 34.321 54.032 61.719 1.00 0.00 WT1 H ATOM 10809 H2 TIP3 2769 33.870 52.601 61.919 1.00 0.00 WT1 H ATOM 10810 OH2 TIP3 2770 56.107 91.377 1.274 1.00 0.00 WT1 O ATOM 10811 H1 TIP3 2770 56.700 90.668 1.521 1.00 0.00 WT1 H ATOM 10812 H2 TIP3 2770 55.444 90.956 0.727 1.00 0.00 WT1 H ATOM 10813 OH2 TIP3 2771 49.925 72.360 -15.011 1.00 0.00 WT1 O ATOM 10814 H1 TIP3 2771 49.924 73.270 -15.310 1.00 0.00 WT1 H ATOM 10815 H2 TIP3 2771 49.003 72.104 -15.020 1.00 0.00 WT1 H ATOM 10816 OH2 TIP3 2772 46.675 18.055 28.346 1.00 0.00 WT1 O ATOM 10817 H1 TIP3 2772 46.453 17.620 27.523 1.00 0.00 WT1 H ATOM 10818 H2 TIP3 2772 47.236 18.787 28.087 1.00 0.00 WT1 H ATOM 10819 OH2 TIP3 2774 71.134 51.766 -17.496 1.00 0.00 WT1 O ATOM 10820 H1 TIP3 2774 70.991 50.895 -17.126 1.00 0.00 WT1 H ATOM 10821 H2 TIP3 2774 70.509 52.327 -17.038 1.00 0.00 WT1 H ATOM 10822 OH2 TIP3 2775 68.586 29.114 15.893 1.00 0.00 WT1 O ATOM 10823 H1 TIP3 2775 68.599 30.026 15.604 1.00 0.00 WT1 H ATOM 10824 H2 TIP3 2775 67.980 29.105 16.634 1.00 0.00 WT1 H ATOM 10825 OH2 TIP3 2776 57.555 31.369 -5.414 1.00 0.00 WT1 O ATOM 10826 H1 TIP3 2776 57.040 32.138 -5.171 1.00 0.00 WT1 H ATOM 10827 H2 TIP3 2776 57.284 30.693 -4.792 1.00 0.00 WT1 H ATOM 10828 OH2 TIP3 2777 42.954 83.537 51.798 1.00 0.00 WT1 O ATOM 10829 H1 TIP3 2777 43.728 84.087 51.925 1.00 0.00 WT1 H ATOM 10830 H2 TIP3 2777 43.302 82.704 51.478 1.00 0.00 WT1 H ATOM 10831 OH2 TIP3 2778 22.529 36.124 19.979 1.00 0.00 WT1 O ATOM 10832 H1 TIP3 2778 21.736 36.648 20.091 1.00 0.00 WT1 H ATOM 10833 H2 TIP3 2778 23.052 36.310 20.759 1.00 0.00 WT1 H ATOM 10834 OH2 TIP3 2779 89.365 73.444 43.836 1.00 0.00 WT1 O ATOM 10835 H1 TIP3 2779 89.440 72.619 43.355 1.00 0.00 WT1 H ATOM 10836 H2 TIP3 2779 89.088 74.081 43.178 1.00 0.00 WT1 H ATOM 10837 OH2 TIP3 2780 44.853 32.157 -12.548 1.00 0.00 WT1 O ATOM 10838 H1 TIP3 2780 45.656 31.754 -12.220 1.00 0.00 WT1 H ATOM 10839 H2 TIP3 2780 44.151 31.733 -12.054 1.00 0.00 WT1 H ATOM 10840 OH2 TIP3 2781 23.653 4.459 64.727 1.00 0.00 WT1 O ATOM 10841 H1 TIP3 2781 22.913 4.422 65.333 1.00 0.00 WT1 H ATOM 10842 H2 TIP3 2781 23.288 4.184 63.886 1.00 0.00 WT1 H ATOM 10843 OH2 TIP3 2784 54.023 31.576 1.246 1.00 0.00 WT1 O ATOM 10844 H1 TIP3 2784 54.272 30.657 1.344 1.00 0.00 WT1 H ATOM 10845 H2 TIP3 2784 53.117 31.613 1.553 1.00 0.00 WT1 H ATOM 10846 OH2 TIP3 2785 72.812 34.463 50.495 1.00 0.00 WT1 O ATOM 10847 H1 TIP3 2785 72.291 34.044 49.810 1.00 0.00 WT1 H ATOM 10848 H2 TIP3 2785 73.479 33.814 50.719 1.00 0.00 WT1 H ATOM 10849 OH2 TIP3 2786 55.166 84.487 33.610 1.00 0.00 WT1 O ATOM 10850 H1 TIP3 2786 55.428 83.732 33.083 1.00 0.00 WT1 H ATOM 10851 H2 TIP3 2786 54.914 85.151 32.969 1.00 0.00 WT1 H ATOM 10852 OH2 TIP3 2788 55.037 1.664 53.513 1.00 0.00 WT1 O ATOM 10853 H1 TIP3 2788 55.417 0.786 53.483 1.00 0.00 WT1 H ATOM 10854 H2 TIP3 2788 54.121 1.522 53.750 1.00 0.00 WT1 H ATOM 10855 OH2 TIP3 2789 88.700 39.135 34.736 1.00 0.00 WT1 O ATOM 10856 H1 TIP3 2789 89.118 39.959 34.485 1.00 0.00 WT1 H ATOM 10857 H2 TIP3 2789 88.113 38.931 34.008 1.00 0.00 WT1 H ATOM 10858 OH2 TIP3 2791 68.991 11.974 -0.455 1.00 0.00 WT1 O ATOM 10859 H1 TIP3 2791 68.319 12.042 -1.133 1.00 0.00 WT1 H ATOM 10860 H2 TIP3 2791 68.575 12.330 0.331 1.00 0.00 WT1 H ATOM 10861 OH2 TIP3 2792 50.124 17.788 31.955 1.00 0.00 WT1 O ATOM 10862 H1 TIP3 2792 51.037 18.021 32.127 1.00 0.00 WT1 H ATOM 10863 H2 TIP3 2792 49.958 18.110 31.069 1.00 0.00 WT1 H ATOM 10864 OH2 TIP3 2794 62.853 44.374 -3.604 1.00 0.00 WT1 O ATOM 10865 H1 TIP3 2794 62.987 45.226 -4.020 1.00 0.00 WT1 H ATOM 10866 H2 TIP3 2794 62.521 44.583 -2.731 1.00 0.00 WT1 H ATOM 10867 OH2 TIP3 2795 21.289 46.820 52.328 1.00 0.00 WT1 O ATOM 10868 H1 TIP3 2795 21.008 46.879 51.415 1.00 0.00 WT1 H ATOM 10869 H2 TIP3 2795 21.577 45.913 52.433 1.00 0.00 WT1 H ATOM 10870 OH2 TIP3 2796 37.616 59.678 4.238 1.00 0.00 WT1 O ATOM 10871 H1 TIP3 2796 37.416 59.765 5.170 1.00 0.00 WT1 H ATOM 10872 H2 TIP3 2796 38.212 58.930 4.189 1.00 0.00 WT1 H ATOM 10873 OH2 TIP3 2797 48.685 12.058 62.979 1.00 0.00 WT1 O ATOM 10874 H1 TIP3 2797 48.399 11.265 63.432 1.00 0.00 WT1 H ATOM 10875 H2 TIP3 2797 48.924 11.761 62.102 1.00 0.00 WT1 H ATOM 10876 OH2 TIP3 2798 38.242 93.886 -17.556 1.00 0.00 WT1 O ATOM 10877 H1 TIP3 2798 37.555 94.424 -17.163 1.00 0.00 WT1 H ATOM 10878 H2 TIP3 2798 37.849 93.018 -17.640 1.00 0.00 WT1 H ATOM 10879 OH2 TIP3 2800 35.033 33.935 21.712 1.00 0.00 WT1 O ATOM 10880 H1 TIP3 2800 35.978 33.873 21.576 1.00 0.00 WT1 H ATOM 10881 H2 TIP3 2800 34.887 33.545 22.574 1.00 0.00 WT1 H ATOM 10882 OH2 TIP3 2801 44.148 60.771 9.462 1.00 0.00 WT1 O ATOM 10883 H1 TIP3 2801 44.706 61.543 9.375 1.00 0.00 WT1 H ATOM 10884 H2 TIP3 2801 44.485 60.318 10.235 1.00 0.00 WT1 H ATOM 10885 OH2 TIP3 2802 80.670 40.107 48.577 1.00 0.00 WT1 O ATOM 10886 H1 TIP3 2802 80.895 40.201 47.651 1.00 0.00 WT1 H ATOM 10887 H2 TIP3 2802 81.401 39.615 48.952 1.00 0.00 WT1 H ATOM 10888 OH2 TIP3 2804 78.233 29.816 33.089 1.00 0.00 WT1 O ATOM 10889 H1 TIP3 2804 78.634 30.163 32.292 1.00 0.00 WT1 H ATOM 10890 H2 TIP3 2804 77.530 30.434 33.292 1.00 0.00 WT1 H ATOM 10891 OH2 TIP3 2806 35.592 22.780 43.998 1.00 0.00 WT1 O ATOM 10892 H1 TIP3 2806 35.998 22.175 44.619 1.00 0.00 WT1 H ATOM 10893 H2 TIP3 2806 36.033 22.603 43.168 1.00 0.00 WT1 H ATOM 10894 OH2 TIP3 2809 30.089 16.748 27.976 1.00 0.00 WT1 O ATOM 10895 H1 TIP3 2809 30.058 16.467 28.891 1.00 0.00 WT1 H ATOM 10896 H2 TIP3 2809 29.236 17.156 27.822 1.00 0.00 WT1 H ATOM 10897 OH2 TIP3 2810 80.651 76.178 34.183 1.00 0.00 WT1 O ATOM 10898 H1 TIP3 2810 80.965 76.665 34.945 1.00 0.00 WT1 H ATOM 10899 H2 TIP3 2810 80.196 76.831 33.652 1.00 0.00 WT1 H ATOM 10900 OH2 TIP3 2811 66.303 27.345 52.489 1.00 0.00 WT1 O ATOM 10901 H1 TIP3 2811 66.257 28.289 52.335 1.00 0.00 WT1 H ATOM 10902 H2 TIP3 2811 65.411 27.098 52.735 1.00 0.00 WT1 H ATOM 10903 OH2 TIP3 2812 36.167 72.164 24.328 1.00 0.00 WT1 O ATOM 10904 H1 TIP3 2812 37.048 72.149 24.703 1.00 0.00 WT1 H ATOM 10905 H2 TIP3 2812 36.144 71.409 23.740 1.00 0.00 WT1 H ATOM 10906 OH2 TIP3 2813 22.099 75.503 34.666 1.00 0.00 WT1 O ATOM 10907 H1 TIP3 2813 22.946 75.943 34.595 1.00 0.00 WT1 H ATOM 10908 H2 TIP3 2813 22.052 75.218 35.578 1.00 0.00 WT1 H ATOM 10909 OH2 TIP3 2814 67.591 45.176 -18.232 1.00 0.00 WT1 O ATOM 10910 H1 TIP3 2814 66.990 44.872 -18.912 1.00 0.00 WT1 H ATOM 10911 H2 TIP3 2814 67.044 45.265 -17.451 1.00 0.00 WT1 H ATOM 10912 OH2 TIP3 2815 45.810 86.818 12.608 1.00 0.00 WT1 O ATOM 10913 H1 TIP3 2815 45.389 86.400 11.858 1.00 0.00 WT1 H ATOM 10914 H2 TIP3 2815 45.856 87.745 12.373 1.00 0.00 WT1 H ATOM 10915 OH2 TIP3 2816 85.522 21.277 8.332 1.00 0.00 WT1 O ATOM 10916 H1 TIP3 2816 86.228 21.502 8.938 1.00 0.00 WT1 H ATOM 10917 H2 TIP3 2816 85.812 21.624 7.488 1.00 0.00 WT1 H ATOM 10918 OH2 TIP3 2817 72.349 8.708 60.052 1.00 0.00 WT1 O ATOM 10919 H1 TIP3 2817 73.003 8.247 59.528 1.00 0.00 WT1 H ATOM 10920 H2 TIP3 2817 72.755 8.804 60.914 1.00 0.00 WT1 H ATOM 10921 OH2 TIP3 2818 33.609 16.751 1.204 1.00 0.00 WT1 O ATOM 10922 H1 TIP3 2818 32.779 17.227 1.221 1.00 0.00 WT1 H ATOM 10923 H2 TIP3 2818 34.089 17.079 1.965 1.00 0.00 WT1 H ATOM 10924 OH2 TIP3 2819 50.695 67.268 -10.455 1.00 0.00 WT1 O ATOM 10925 H1 TIP3 2819 50.549 67.944 -9.794 1.00 0.00 WT1 H ATOM 10926 H2 TIP3 2819 51.286 66.644 -10.034 1.00 0.00 WT1 H ATOM 10927 OH2 TIP3 2820 34.450 29.185 26.975 1.00 0.00 WT1 O ATOM 10928 H1 TIP3 2820 35.315 29.540 27.179 1.00 0.00 WT1 H ATOM 10929 H2 TIP3 2820 34.124 28.853 27.811 1.00 0.00 WT1 H ATOM 10930 OH2 TIP3 2821 36.562 0.597 29.464 1.00 0.00 WT1 O ATOM 10931 H1 TIP3 2821 37.358 0.188 29.124 1.00 0.00 WT1 H ATOM 10932 H2 TIP3 2821 36.496 1.425 28.988 1.00 0.00 WT1 H ATOM 10933 OH2 TIP3 2822 79.849 52.929 -5.395 1.00 0.00 WT1 O ATOM 10934 H1 TIP3 2822 79.617 52.696 -4.496 1.00 0.00 WT1 H ATOM 10935 H2 TIP3 2822 80.013 52.091 -5.826 1.00 0.00 WT1 H ATOM 10936 OH2 TIP3 2823 77.291 1.018 2.144 1.00 0.00 WT1 O ATOM 10937 H1 TIP3 2823 78.155 1.422 2.063 1.00 0.00 WT1 H ATOM 10938 H2 TIP3 2823 77.121 1.000 3.085 1.00 0.00 WT1 H ATOM 10939 OH2 TIP3 2824 44.279 24.933 30.712 1.00 0.00 WT1 O ATOM 10940 H1 TIP3 2824 43.696 24.366 30.206 1.00 0.00 WT1 H ATOM 10941 H2 TIP3 2824 44.566 24.388 31.444 1.00 0.00 WT1 H ATOM 10942 OH2 TIP3 2825 49.307 41.481 26.625 1.00 0.00 WT1 O ATOM 10943 H1 TIP3 2825 49.452 40.536 26.655 1.00 0.00 WT1 H ATOM 10944 H2 TIP3 2825 49.561 41.735 25.738 1.00 0.00 WT1 H ATOM 10945 OH2 TIP3 2826 31.604 31.965 4.222 1.00 0.00 WT1 O ATOM 10946 H1 TIP3 2826 30.780 31.894 4.705 1.00 0.00 WT1 H ATOM 10947 H2 TIP3 2826 32.281 31.918 4.896 1.00 0.00 WT1 H ATOM 10948 OH2 TIP3 2827 23.149 13.947 41.430 1.00 0.00 WT1 O ATOM 10949 H1 TIP3 2827 23.718 13.775 42.179 1.00 0.00 WT1 H ATOM 10950 H2 TIP3 2827 23.348 13.245 40.810 1.00 0.00 WT1 H ATOM 10951 OH2 TIP3 2830 31.468 7.051 58.554 1.00 0.00 WT1 O ATOM 10952 H1 TIP3 2830 31.323 7.608 57.789 1.00 0.00 WT1 H ATOM 10953 H2 TIP3 2830 32.407 7.124 58.729 1.00 0.00 WT1 H ATOM 10954 OH2 TIP3 2831 89.225 55.886 -0.765 1.00 0.00 WT1 O ATOM 10955 H1 TIP3 2831 88.799 56.711 -0.530 1.00 0.00 WT1 H ATOM 10956 H2 TIP3 2831 90.116 55.970 -0.426 1.00 0.00 WT1 H ATOM 10957 OH2 TIP3 2832 38.642 13.607 66.837 1.00 0.00 WT1 O ATOM 10958 H1 TIP3 2832 39.379 13.124 66.464 1.00 0.00 WT1 H ATOM 10959 H2 TIP3 2832 38.941 13.864 67.709 1.00 0.00 WT1 H ATOM 10960 OH2 TIP3 2833 59.162 11.242 -11.307 1.00 0.00 WT1 O ATOM 10961 H1 TIP3 2833 58.397 11.310 -11.879 1.00 0.00 WT1 H ATOM 10962 H2 TIP3 2833 58.856 11.564 -10.459 1.00 0.00 WT1 H ATOM 10963 OH2 TIP3 2834 79.928 46.205 49.800 1.00 0.00 WT1 O ATOM 10964 H1 TIP3 2834 79.198 46.787 49.591 1.00 0.00 WT1 H ATOM 10965 H2 TIP3 2834 80.638 46.792 50.061 1.00 0.00 WT1 H ATOM 10966 OH2 TIP3 2835 38.918 46.065 42.400 1.00 0.00 WT1 O ATOM 10967 H1 TIP3 2835 39.205 45.166 42.560 1.00 0.00 WT1 H ATOM 10968 H2 TIP3 2835 38.052 45.974 42.002 1.00 0.00 WT1 H ATOM 10969 OH2 TIP3 2836 56.846 0.964 -7.820 1.00 0.00 WT1 O ATOM 10970 H1 TIP3 2836 56.163 0.374 -8.139 1.00 0.00 WT1 H ATOM 10971 H2 TIP3 2836 56.567 1.197 -6.934 1.00 0.00 WT1 H ATOM 10972 OH2 TIP3 2837 29.118 24.637 15.145 1.00 0.00 WT1 O ATOM 10973 H1 TIP3 2837 28.190 24.401 15.153 1.00 0.00 WT1 H ATOM 10974 H2 TIP3 2837 29.533 23.961 14.608 1.00 0.00 WT1 H ATOM 10975 OH2 TIP3 2838 24.259 43.718 -18.807 1.00 0.00 WT1 O ATOM 10976 H1 TIP3 2838 23.507 43.216 -18.493 1.00 0.00 WT1 H ATOM 10977 H2 TIP3 2838 24.798 43.077 -19.270 1.00 0.00 WT1 H ATOM 10978 OH2 TIP3 2839 85.236 70.169 33.807 1.00 0.00 WT1 O ATOM 10979 H1 TIP3 2839 85.495 69.579 34.515 1.00 0.00 WT1 H ATOM 10980 H2 TIP3 2839 86.038 70.304 33.302 1.00 0.00 WT1 H ATOM 10981 OH2 TIP3 2840 69.436 24.002 -16.374 1.00 0.00 WT1 O ATOM 10982 H1 TIP3 2840 68.531 23.864 -16.095 1.00 0.00 WT1 H ATOM 10983 H2 TIP3 2840 69.518 23.495 -17.182 1.00 0.00 WT1 H ATOM 10984 OH2 TIP3 2841 68.705 45.375 50.719 1.00 0.00 WT1 O ATOM 10985 H1 TIP3 2841 68.179 46.004 50.225 1.00 0.00 WT1 H ATOM 10986 H2 TIP3 2841 68.389 45.453 51.620 1.00 0.00 WT1 H ATOM 10987 OH2 TIP3 2842 78.346 32.733 -17.150 1.00 0.00 WT1 O ATOM 10988 H1 TIP3 2842 78.054 33.053 -18.003 1.00 0.00 WT1 H ATOM 10989 H2 TIP3 2842 79.266 32.991 -17.099 1.00 0.00 WT1 H ATOM 10990 OH2 TIP3 2843 22.530 13.848 -16.807 1.00 0.00 WT1 O ATOM 10991 H1 TIP3 2843 21.862 13.295 -16.402 1.00 0.00 WT1 H ATOM 10992 H2 TIP3 2843 22.080 14.673 -16.991 1.00 0.00 WT1 H ATOM 10993 OH2 TIP3 2844 21.092 48.761 22.465 1.00 0.00 WT1 O ATOM 10994 H1 TIP3 2844 21.059 49.574 22.969 1.00 0.00 WT1 H ATOM 10995 H2 TIP3 2844 21.927 48.800 22.000 1.00 0.00 WT1 H ATOM 10996 OH2 TIP3 2845 39.458 4.162 14.809 1.00 0.00 WT1 O ATOM 10997 H1 TIP3 2845 39.672 5.052 14.529 1.00 0.00 WT1 H ATOM 10998 H2 TIP3 2845 38.996 3.780 14.062 1.00 0.00 WT1 H ATOM 10999 OH2 TIP3 2846 31.576 17.927 5.856 1.00 0.00 WT1 O ATOM 11000 H1 TIP3 2846 32.514 17.856 6.034 1.00 0.00 WT1 H ATOM 11001 H2 TIP3 2846 31.160 17.417 6.551 1.00 0.00 WT1 H ATOM 11002 OH2 TIP3 2849 59.086 14.372 39.215 1.00 0.00 WT1 O ATOM 11003 H1 TIP3 2849 58.175 14.115 39.072 1.00 0.00 WT1 H ATOM 11004 H2 TIP3 2849 59.240 14.204 40.145 1.00 0.00 WT1 H ATOM 11005 OH2 TIP3 2851 62.372 58.371 26.810 1.00 0.00 WT1 O ATOM 11006 H1 TIP3 2851 61.487 58.012 26.870 1.00 0.00 WT1 H ATOM 11007 H2 TIP3 2851 62.302 59.072 26.161 1.00 0.00 WT1 H ATOM 11008 OH2 TIP3 2852 88.415 47.452 12.050 1.00 0.00 WT1 O ATOM 11009 H1 TIP3 2852 89.174 47.455 11.466 1.00 0.00 WT1 H ATOM 11010 H2 TIP3 2852 88.607 48.131 12.697 1.00 0.00 WT1 H ATOM 11011 OH2 TIP3 2853 51.373 76.465 25.658 1.00 0.00 WT1 O ATOM 11012 H1 TIP3 2853 51.856 75.665 25.865 1.00 0.00 WT1 H ATOM 11013 H2 TIP3 2853 50.692 76.184 25.047 1.00 0.00 WT1 H ATOM 11014 OH2 TIP3 2854 51.081 45.293 47.531 1.00 0.00 WT1 O ATOM 11015 H1 TIP3 2854 51.991 45.533 47.708 1.00 0.00 WT1 H ATOM 11016 H2 TIP3 2854 50.911 45.628 46.650 1.00 0.00 WT1 H ATOM 11017 OH2 TIP3 2855 56.767 75.976 -9.160 1.00 0.00 WT1 O ATOM 11018 H1 TIP3 2855 56.629 75.029 -9.141 1.00 0.00 WT1 H ATOM 11019 H2 TIP3 2855 56.513 76.238 -10.045 1.00 0.00 WT1 H ATOM 11020 OH2 TIP3 2856 35.393 42.708 -10.991 1.00 0.00 WT1 O ATOM 11021 H1 TIP3 2856 36.207 42.409 -10.585 1.00 0.00 WT1 H ATOM 11022 H2 TIP3 2856 34.784 42.811 -10.261 1.00 0.00 WT1 H ATOM 11023 OH2 TIP3 2857 82.045 7.285 -16.575 1.00 0.00 WT1 O ATOM 11024 H1 TIP3 2857 81.464 6.573 -16.307 1.00 0.00 WT1 H ATOM 11025 H2 TIP3 2857 82.417 7.614 -15.756 1.00 0.00 WT1 H ATOM 11026 OH2 TIP3 2858 73.392 5.097 -15.011 1.00 0.00 WT1 O ATOM 11027 H1 TIP3 2858 73.130 5.685 -14.303 1.00 0.00 WT1 H ATOM 11028 H2 TIP3 2858 72.622 5.046 -15.578 1.00 0.00 WT1 H ATOM 11029 OH2 TIP3 2859 51.965 34.130 9.954 1.00 0.00 WT1 O ATOM 11030 H1 TIP3 2859 51.255 33.653 9.524 1.00 0.00 WT1 H ATOM 11031 H2 TIP3 2859 52.167 33.610 10.732 1.00 0.00 WT1 H ATOM 11032 OH2 TIP3 2860 20.386 3.188 60.758 1.00 0.00 WT1 O ATOM 11033 H1 TIP3 2860 20.445 2.484 60.112 1.00 0.00 WT1 H ATOM 11034 H2 TIP3 2860 20.309 3.987 60.237 1.00 0.00 WT1 H ATOM 11035 OH2 TIP3 2861 82.821 86.774 47.175 1.00 0.00 WT1 O ATOM 11036 H1 TIP3 2861 82.241 87.505 46.962 1.00 0.00 WT1 H ATOM 11037 H2 TIP3 2861 83.259 86.567 46.349 1.00 0.00 WT1 H ATOM 11038 OH2 TIP3 2862 86.811 76.672 -0.139 1.00 0.00 WT1 O ATOM 11039 H1 TIP3 2862 86.763 76.052 0.589 1.00 0.00 WT1 H ATOM 11040 H2 TIP3 2862 86.080 76.432 -0.707 1.00 0.00 WT1 H ATOM 11041 OH2 TIP3 2863 56.058 16.832 -11.687 1.00 0.00 WT1 O ATOM 11042 H1 TIP3 2863 56.913 17.230 -11.524 1.00 0.00 WT1 H ATOM 11043 H2 TIP3 2863 55.458 17.306 -11.111 1.00 0.00 WT1 H ATOM 11044 OH2 TIP3 2864 44.596 43.159 25.638 1.00 0.00 WT1 O ATOM 11045 H1 TIP3 2864 44.523 44.112 25.593 1.00 0.00 WT1 H ATOM 11046 H2 TIP3 2864 45.525 42.982 25.486 1.00 0.00 WT1 H ATOM 11047 OH2 TIP3 2865 75.146 46.788 50.567 1.00 0.00 WT1 O ATOM 11048 H1 TIP3 2865 75.804 46.917 49.883 1.00 0.00 WT1 H ATOM 11049 H2 TIP3 2865 75.148 47.610 51.058 1.00 0.00 WT1 H ATOM 11050 OH2 TIP3 2866 42.731 47.731 5.799 1.00 0.00 WT1 O ATOM 11051 H1 TIP3 2866 42.517 48.664 5.795 1.00 0.00 WT1 H ATOM 11052 H2 TIP3 2866 43.593 47.685 6.213 1.00 0.00 WT1 H ATOM 11053 OH2 TIP3 2867 41.167 60.375 -13.927 1.00 0.00 WT1 O ATOM 11054 H1 TIP3 2867 40.420 59.791 -14.054 1.00 0.00 WT1 H ATOM 11055 H2 TIP3 2867 41.019 60.771 -13.069 1.00 0.00 WT1 H ATOM 11056 OH2 TIP3 2868 45.613 44.308 -4.018 1.00 0.00 WT1 O ATOM 11057 H1 TIP3 2868 46.425 43.810 -4.114 1.00 0.00 WT1 H ATOM 11058 H2 TIP3 2868 45.821 44.984 -3.373 1.00 0.00 WT1 H ATOM 11059 OH2 TIP3 2871 48.788 46.263 52.193 1.00 0.00 WT1 O ATOM 11060 H1 TIP3 2871 47.971 46.723 52.001 1.00 0.00 WT1 H ATOM 11061 H2 TIP3 2871 49.258 46.250 51.359 1.00 0.00 WT1 H ATOM 11062 OH2 TIP3 2872 50.210 69.997 51.902 1.00 0.00 WT1 O ATOM 11063 H1 TIP3 2872 49.566 70.269 51.248 1.00 0.00 WT1 H ATOM 11064 H2 TIP3 2872 50.066 69.057 52.004 1.00 0.00 WT1 H ATOM 11065 OH2 TIP3 2873 25.467 88.866 3.215 1.00 0.00 WT1 O ATOM 11066 H1 TIP3 2873 24.967 89.310 3.900 1.00 0.00 WT1 H ATOM 11067 H2 TIP3 2873 25.025 89.106 2.401 1.00 0.00 WT1 H ATOM 11068 OH2 TIP3 2874 66.715 0.114 4.135 1.00 0.00 WT1 O ATOM 11069 H1 TIP3 2874 66.705 0.391 3.219 1.00 0.00 WT1 H ATOM 11070 H2 TIP3 2874 67.608 0.290 4.430 1.00 0.00 WT1 H ATOM 11071 OH2 TIP3 2875 32.984 31.898 65.452 1.00 0.00 WT1 O ATOM 11072 H1 TIP3 2875 33.002 32.724 65.934 1.00 0.00 WT1 H ATOM 11073 H2 TIP3 2875 32.158 31.920 64.968 1.00 0.00 WT1 H ATOM 11074 OH2 TIP3 2876 82.984 87.421 39.309 1.00 0.00 WT1 O ATOM 11075 H1 TIP3 2876 83.713 88.023 39.165 1.00 0.00 WT1 H ATOM 11076 H2 TIP3 2876 82.373 87.609 38.597 1.00 0.00 WT1 H ATOM 11077 OH2 TIP3 2877 43.430 9.417 38.044 1.00 0.00 WT1 O ATOM 11078 H1 TIP3 2877 42.935 8.638 37.790 1.00 0.00 WT1 H ATOM 11079 H2 TIP3 2877 44.148 9.462 37.413 1.00 0.00 WT1 H ATOM 11080 OH2 TIP3 2878 69.999 17.058 13.824 1.00 0.00 WT1 O ATOM 11081 H1 TIP3 2878 69.446 16.483 14.353 1.00 0.00 WT1 H ATOM 11082 H2 TIP3 2878 70.834 17.085 14.291 1.00 0.00 WT1 H ATOM 11083 OH2 TIP3 2879 50.097 55.983 -1.660 1.00 0.00 WT1 O ATOM 11084 H1 TIP3 2879 49.892 55.949 -0.726 1.00 0.00 WT1 H ATOM 11085 H2 TIP3 2879 50.666 56.747 -1.754 1.00 0.00 WT1 H ATOM 11086 OH2 TIP3 2880 71.742 68.155 35.340 1.00 0.00 WT1 O ATOM 11087 H1 TIP3 2880 71.813 68.228 34.388 1.00 0.00 WT1 H ATOM 11088 H2 TIP3 2880 70.840 67.876 35.493 1.00 0.00 WT1 H ATOM 11089 OH2 TIP3 2881 70.818 56.947 10.525 1.00 0.00 WT1 O ATOM 11090 H1 TIP3 2881 70.026 56.455 10.743 1.00 0.00 WT1 H ATOM 11091 H2 TIP3 2881 71.453 56.688 11.192 1.00 0.00 WT1 H ATOM 11092 OH2 TIP3 2882 29.420 67.667 22.760 1.00 0.00 WT1 O ATOM 11093 H1 TIP3 2882 29.167 67.297 23.606 1.00 0.00 WT1 H ATOM 11094 H2 TIP3 2882 30.176 67.146 22.487 1.00 0.00 WT1 H ATOM 11095 OH2 TIP3 2883 24.702 68.751 45.200 1.00 0.00 WT1 O ATOM 11096 H1 TIP3 2883 25.523 68.807 44.710 1.00 0.00 WT1 H ATOM 11097 H2 TIP3 2883 24.243 69.565 44.993 1.00 0.00 WT1 H ATOM 11098 OH2 TIP3 2884 80.363 43.255 14.136 1.00 0.00 WT1 O ATOM 11099 H1 TIP3 2884 80.889 44.018 13.898 1.00 0.00 WT1 H ATOM 11100 H2 TIP3 2884 80.820 42.515 13.737 1.00 0.00 WT1 H ATOM 11101 OH2 TIP3 2886 55.437 5.522 -4.815 1.00 0.00 WT1 O ATOM 11102 H1 TIP3 2886 55.538 6.354 -5.276 1.00 0.00 WT1 H ATOM 11103 H2 TIP3 2886 55.873 5.659 -3.974 1.00 0.00 WT1 H ATOM 11104 OH2 TIP3 2887 89.764 34.105 55.838 1.00 0.00 WT1 O ATOM 11105 H1 TIP3 2887 90.171 33.569 56.518 1.00 0.00 WT1 H ATOM 11106 H2 TIP3 2887 89.900 33.611 55.029 1.00 0.00 WT1 H ATOM 11107 OH2 TIP3 2889 80.325 12.991 -0.167 1.00 0.00 WT1 O ATOM 11108 H1 TIP3 2889 79.901 12.737 0.652 1.00 0.00 WT1 H ATOM 11109 H2 TIP3 2889 81.262 12.923 0.017 1.00 0.00 WT1 H ATOM 11110 OH2 TIP3 2890 46.018 52.708 61.560 1.00 0.00 WT1 O ATOM 11111 H1 TIP3 2890 45.183 52.980 61.179 1.00 0.00 WT1 H ATOM 11112 H2 TIP3 2890 46.078 53.197 62.381 1.00 0.00 WT1 H ATOM 11113 OH2 TIP3 2891 69.904 14.522 9.797 1.00 0.00 WT1 O ATOM 11114 H1 TIP3 2891 70.244 13.969 9.094 1.00 0.00 WT1 H ATOM 11115 H2 TIP3 2891 70.505 15.267 9.828 1.00 0.00 WT1 H ATOM 11116 OH2 TIP3 2894 45.027 9.176 9.524 1.00 0.00 WT1 O ATOM 11117 H1 TIP3 2894 44.308 9.604 9.059 1.00 0.00 WT1 H ATOM 11118 H2 TIP3 2894 44.825 8.242 9.473 1.00 0.00 WT1 H ATOM 11119 OH2 TIP3 2895 60.780 92.614 50.485 1.00 0.00 WT1 O ATOM 11120 H1 TIP3 2895 60.757 91.660 50.411 1.00 0.00 WT1 H ATOM 11121 H2 TIP3 2895 61.679 92.850 50.254 1.00 0.00 WT1 H ATOM 11122 OH2 TIP3 2896 61.373 56.003 35.179 1.00 0.00 WT1 O ATOM 11123 H1 TIP3 2896 61.505 55.990 34.231 1.00 0.00 WT1 H ATOM 11124 H2 TIP3 2896 60.753 56.717 35.326 1.00 0.00 WT1 H ATOM 11125 OH2 TIP3 2898 68.576 36.950 -5.884 1.00 0.00 WT1 O ATOM 11126 H1 TIP3 2898 69.229 37.618 -6.095 1.00 0.00 WT1 H ATOM 11127 H2 TIP3 2898 68.716 36.264 -6.537 1.00 0.00 WT1 H ATOM 11128 OH2 TIP3 2899 48.260 77.891 41.244 1.00 0.00 WT1 O ATOM 11129 H1 TIP3 2899 47.929 78.416 41.973 1.00 0.00 WT1 H ATOM 11130 H2 TIP3 2899 47.670 78.090 40.517 1.00 0.00 WT1 H ATOM 11131 OH2 TIP3 2900 51.826 9.320 -7.289 1.00 0.00 WT1 O ATOM 11132 H1 TIP3 2900 51.413 8.655 -7.840 1.00 0.00 WT1 H ATOM 11133 H2 TIP3 2900 51.617 9.052 -6.394 1.00 0.00 WT1 H ATOM 11134 OH2 TIP3 2901 70.694 66.090 57.004 1.00 0.00 WT1 O ATOM 11135 H1 TIP3 2901 70.643 66.458 56.121 1.00 0.00 WT1 H ATOM 11136 H2 TIP3 2901 70.076 66.610 57.517 1.00 0.00 WT1 H ATOM 11137 OH2 TIP3 2902 61.300 60.901 54.860 1.00 0.00 WT1 O ATOM 11138 H1 TIP3 2902 62.173 61.062 55.220 1.00 0.00 WT1 H ATOM 11139 H2 TIP3 2902 60.713 61.415 55.415 1.00 0.00 WT1 H ATOM 11140 OH2 TIP3 2903 69.515 26.911 11.202 1.00 0.00 WT1 O ATOM 11141 H1 TIP3 2903 70.140 27.297 11.816 1.00 0.00 WT1 H ATOM 11142 H2 TIP3 2903 69.869 27.120 10.337 1.00 0.00 WT1 H ATOM 11143 OH2 TIP3 2904 28.007 17.155 0.824 1.00 0.00 WT1 O ATOM 11144 H1 TIP3 2904 28.543 17.274 1.608 1.00 0.00 WT1 H ATOM 11145 H2 TIP3 2904 28.576 16.687 0.213 1.00 0.00 WT1 H ATOM 11146 OH2 TIP3 2905 48.723 59.630 -12.684 1.00 0.00 WT1 O ATOM 11147 H1 TIP3 2905 49.418 60.285 -12.624 1.00 0.00 WT1 H ATOM 11148 H2 TIP3 2905 47.981 60.101 -13.063 1.00 0.00 WT1 H ATOM 11149 OH2 TIP3 2906 78.899 38.229 47.612 1.00 0.00 WT1 O ATOM 11150 H1 TIP3 2906 79.592 38.659 48.113 1.00 0.00 WT1 H ATOM 11151 H2 TIP3 2906 79.068 38.479 46.704 1.00 0.00 WT1 H ATOM 11152 OH2 TIP3 2908 62.140 47.465 6.621 1.00 0.00 WT1 O ATOM 11153 H1 TIP3 2908 62.562 46.686 6.984 1.00 0.00 WT1 H ATOM 11154 H2 TIP3 2908 61.997 48.034 7.377 1.00 0.00 WT1 H ATOM 11155 OH2 TIP3 2909 44.978 45.962 60.313 1.00 0.00 WT1 O ATOM 11156 H1 TIP3 2909 44.241 45.983 59.703 1.00 0.00 WT1 H ATOM 11157 H2 TIP3 2909 45.569 46.647 59.998 1.00 0.00 WT1 H ATOM 11158 OH2 TIP3 2910 75.457 39.327 -11.462 1.00 0.00 WT1 O ATOM 11159 H1 TIP3 2910 74.656 38.840 -11.268 1.00 0.00 WT1 H ATOM 11160 H2 TIP3 2910 75.323 40.181 -11.052 1.00 0.00 WT1 H ATOM 11161 OH2 TIP3 2912 33.379 74.116 35.892 1.00 0.00 WT1 O ATOM 11162 H1 TIP3 2912 33.874 74.072 35.074 1.00 0.00 WT1 H ATOM 11163 H2 TIP3 2912 33.934 74.627 36.481 1.00 0.00 WT1 H ATOM 11164 OH2 TIP3 2913 28.894 18.443 -2.975 1.00 0.00 WT1 O ATOM 11165 H1 TIP3 2913 29.237 18.619 -2.099 1.00 0.00 WT1 H ATOM 11166 H2 TIP3 2913 29.673 18.338 -3.521 1.00 0.00 WT1 H ATOM 11167 OH2 TIP3 2914 51.096 17.461 50.551 1.00 0.00 WT1 O ATOM 11168 H1 TIP3 2914 50.922 18.166 49.928 1.00 0.00 WT1 H ATOM 11169 H2 TIP3 2914 51.111 16.667 50.017 1.00 0.00 WT1 H ATOM 11170 OH2 TIP3 2916 23.014 40.553 24.178 1.00 0.00 WT1 O ATOM 11171 H1 TIP3 2916 23.952 40.744 24.153 1.00 0.00 WT1 H ATOM 11172 H2 TIP3 2916 22.803 40.269 23.289 1.00 0.00 WT1 H ATOM 11173 OH2 TIP3 2917 46.821 38.155 43.005 1.00 0.00 WT1 O ATOM 11174 H1 TIP3 2917 46.340 37.340 43.149 1.00 0.00 WT1 H ATOM 11175 H2 TIP3 2917 46.264 38.661 42.414 1.00 0.00 WT1 H ATOM 11176 OH2 TIP3 2918 68.592 20.968 -0.440 1.00 0.00 WT1 O ATOM 11177 H1 TIP3 2918 68.441 20.348 -1.154 1.00 0.00 WT1 H ATOM 11178 H2 TIP3 2918 67.871 21.593 -0.507 1.00 0.00 WT1 H ATOM 11179 OH2 TIP3 2919 48.564 39.356 31.719 1.00 0.00 WT1 O ATOM 11180 H1 TIP3 2919 49.252 39.151 31.085 1.00 0.00 WT1 H ATOM 11181 H2 TIP3 2919 48.017 38.571 31.742 1.00 0.00 WT1 H ATOM 11182 OH2 TIP3 2920 51.649 66.510 66.576 1.00 0.00 WT1 O ATOM 11183 H1 TIP3 2920 51.670 66.191 67.478 1.00 0.00 WT1 H ATOM 11184 H2 TIP3 2920 50.973 67.188 66.578 1.00 0.00 WT1 H ATOM 11185 OH2 TIP3 2921 31.988 24.422 30.742 1.00 0.00 WT1 O ATOM 11186 H1 TIP3 2921 31.894 24.082 31.632 1.00 0.00 WT1 H ATOM 11187 H2 TIP3 2921 32.913 24.658 30.672 1.00 0.00 WT1 H ATOM 11188 OH2 TIP3 2922 48.661 93.093 8.477 1.00 0.00 WT1 O ATOM 11189 H1 TIP3 2922 48.343 93.977 8.291 1.00 0.00 WT1 H ATOM 11190 H2 TIP3 2922 48.023 92.733 9.092 1.00 0.00 WT1 H ATOM 11191 OH2 TIP3 2923 63.988 36.479 63.197 1.00 0.00 WT1 O ATOM 11192 H1 TIP3 2923 63.719 36.404 64.113 1.00 0.00 WT1 H ATOM 11193 H2 TIP3 2923 64.399 35.637 62.999 1.00 0.00 WT1 H ATOM 11194 OH2 TIP3 2925 31.625 31.397 -7.365 1.00 0.00 WT1 O ATOM 11195 H1 TIP3 2925 32.187 31.601 -8.113 1.00 0.00 WT1 H ATOM 11196 H2 TIP3 2925 31.689 32.167 -6.800 1.00 0.00 WT1 H ATOM 11197 OH2 TIP3 2926 25.977 95.823 26.591 1.00 0.00 WT1 O ATOM 11198 H1 TIP3 2926 26.622 95.116 26.622 1.00 0.00 WT1 H ATOM 11199 H2 TIP3 2926 25.769 95.997 27.509 1.00 0.00 WT1 H ATOM 11200 OH2 TIP3 2927 65.936 94.064 15.943 1.00 0.00 WT1 O ATOM 11201 H1 TIP3 2927 65.963 95.017 15.862 1.00 0.00 WT1 H ATOM 11202 H2 TIP3 2927 65.815 93.749 15.047 1.00 0.00 WT1 H ATOM 11203 OH2 TIP3 2928 25.183 77.082 66.544 1.00 0.00 WT1 O ATOM 11204 H1 TIP3 2928 25.113 77.472 65.672 1.00 0.00 WT1 H ATOM 11205 H2 TIP3 2928 26.072 77.294 66.830 1.00 0.00 WT1 H ATOM 11206 OH2 TIP3 2930 60.895 30.896 -10.974 1.00 0.00 WT1 O ATOM 11207 H1 TIP3 2930 60.783 30.500 -10.109 1.00 0.00 WT1 H ATOM 11208 H2 TIP3 2930 61.018 31.829 -10.796 1.00 0.00 WT1 H ATOM 11209 OH2 TIP3 2931 66.971 66.878 24.108 1.00 0.00 WT1 O ATOM 11210 H1 TIP3 2931 66.370 66.140 24.207 1.00 0.00 WT1 H ATOM 11211 H2 TIP3 2931 66.411 67.653 24.165 1.00 0.00 WT1 H ATOM 11212 OH2 TIP3 2932 86.063 46.065 1.385 1.00 0.00 WT1 O ATOM 11213 H1 TIP3 2932 86.630 46.419 2.071 1.00 0.00 WT1 H ATOM 11214 H2 TIP3 2932 85.305 45.719 1.855 1.00 0.00 WT1 H ATOM 11215 OH2 TIP3 2936 82.368 58.872 38.952 1.00 0.00 WT1 O ATOM 11216 H1 TIP3 2936 82.462 58.445 38.100 1.00 0.00 WT1 H ATOM 11217 H2 TIP3 2936 81.559 58.510 39.314 1.00 0.00 WT1 H ATOM 11218 OH2 TIP3 2937 36.539 52.768 26.324 1.00 0.00 WT1 O ATOM 11219 H1 TIP3 2937 36.939 52.082 25.790 1.00 0.00 WT1 H ATOM 11220 H2 TIP3 2937 37.210 52.993 26.968 1.00 0.00 WT1 H ATOM 11221 OH2 TIP3 2938 77.236 24.238 52.429 1.00 0.00 WT1 O ATOM 11222 H1 TIP3 2938 77.333 24.243 51.477 1.00 0.00 WT1 H ATOM 11223 H2 TIP3 2938 76.408 23.782 52.583 1.00 0.00 WT1 H ATOM 11224 OH2 TIP3 2939 23.666 53.295 26.909 1.00 0.00 WT1 O ATOM 11225 H1 TIP3 2939 23.903 53.813 26.140 1.00 0.00 WT1 H ATOM 11226 H2 TIP3 2939 24.319 52.595 26.937 1.00 0.00 WT1 H ATOM 11227 OH2 TIP3 2941 49.194 1.059 26.916 1.00 0.00 WT1 O ATOM 11228 H1 TIP3 2941 48.619 1.255 26.176 1.00 0.00 WT1 H ATOM 11229 H2 TIP3 2941 49.821 1.782 26.931 1.00 0.00 WT1 H ATOM 11230 OH2 TIP3 2943 87.835 52.552 -11.658 1.00 0.00 WT1 O ATOM 11231 H1 TIP3 2943 86.924 52.801 -11.499 1.00 0.00 WT1 H ATOM 11232 H2 TIP3 2943 88.131 53.152 -12.342 1.00 0.00 WT1 H ATOM 11233 OH2 TIP3 2944 69.207 13.519 51.260 1.00 0.00 WT1 O ATOM 11234 H1 TIP3 2944 68.771 12.869 50.709 1.00 0.00 WT1 H ATOM 11235 H2 TIP3 2944 69.986 13.770 50.764 1.00 0.00 WT1 H ATOM 11236 OH2 TIP3 2945 70.820 54.773 -1.686 1.00 0.00 WT1 O ATOM 11237 H1 TIP3 2945 70.084 55.020 -1.126 1.00 0.00 WT1 H ATOM 11238 H2 TIP3 2945 70.810 53.815 -1.686 1.00 0.00 WT1 H ATOM 11239 OH2 TIP3 2946 39.219 14.180 -13.548 1.00 0.00 WT1 O ATOM 11240 H1 TIP3 2946 39.481 13.536 -14.205 1.00 0.00 WT1 H ATOM 11241 H2 TIP3 2946 38.584 13.719 -12.999 1.00 0.00 WT1 H ATOM 11242 OH2 TIP3 2947 55.273 21.633 22.383 1.00 0.00 WT1 O ATOM 11243 H1 TIP3 2947 55.310 22.310 23.058 1.00 0.00 WT1 H ATOM 11244 H2 TIP3 2947 54.523 21.876 21.840 1.00 0.00 WT1 H ATOM 11245 OH2 TIP3 2950 72.520 65.610 38.016 1.00 0.00 WT1 O ATOM 11246 H1 TIP3 2950 72.208 65.258 37.182 1.00 0.00 WT1 H ATOM 11247 H2 TIP3 2950 71.865 66.264 38.260 1.00 0.00 WT1 H ATOM 11248 OH2 TIP3 2951 52.660 11.228 66.810 1.00 0.00 WT1 O ATOM 11249 H1 TIP3 2951 52.846 10.724 66.018 1.00 0.00 WT1 H ATOM 11250 H2 TIP3 2951 51.849 10.850 67.151 1.00 0.00 WT1 H ATOM 11251 OH2 TIP3 2952 42.441 95.534 -16.562 1.00 0.00 WT1 O ATOM 11252 H1 TIP3 2952 42.446 94.577 -16.543 1.00 0.00 WT1 H ATOM 11253 H2 TIP3 2952 41.566 95.763 -16.875 1.00 0.00 WT1 H ATOM 11254 OH2 TIP3 2956 44.679 20.894 1.173 1.00 0.00 WT1 O ATOM 11255 H1 TIP3 2956 43.882 21.291 1.525 1.00 0.00 WT1 H ATOM 11256 H2 TIP3 2956 44.504 19.953 1.182 1.00 0.00 WT1 H ATOM 11257 OH2 TIP3 2957 25.598 8.731 54.894 1.00 0.00 WT1 O ATOM 11258 H1 TIP3 2957 25.938 7.838 54.839 1.00 0.00 WT1 H ATOM 11259 H2 TIP3 2957 26.340 9.286 54.653 1.00 0.00 WT1 H ATOM 11260 OH2 TIP3 2959 51.938 59.692 -15.730 1.00 0.00 WT1 O ATOM 11261 H1 TIP3 2959 52.692 59.790 -16.312 1.00 0.00 WT1 H ATOM 11262 H2 TIP3 2959 52.302 59.773 -14.849 1.00 0.00 WT1 H ATOM 11263 OH2 TIP3 2960 39.585 40.874 65.122 1.00 0.00 WT1 O ATOM 11264 H1 TIP3 2960 40.407 41.256 65.430 1.00 0.00 WT1 H ATOM 11265 H2 TIP3 2960 39.170 41.573 64.617 1.00 0.00 WT1 H ATOM 11266 OH2 TIP3 2961 86.664 21.640 40.106 1.00 0.00 WT1 O ATOM 11267 H1 TIP3 2961 87.174 22.370 39.756 1.00 0.00 WT1 H ATOM 11268 H2 TIP3 2961 87.188 20.863 39.907 1.00 0.00 WT1 H ATOM 11269 OH2 TIP3 2962 41.944 95.459 38.603 1.00 0.00 WT1 O ATOM 11270 H1 TIP3 2962 41.039 95.718 38.776 1.00 0.00 WT1 H ATOM 11271 H2 TIP3 2962 41.960 94.517 38.772 1.00 0.00 WT1 H ATOM 11272 OH2 TIP3 2963 54.293 33.746 49.765 1.00 0.00 WT1 O ATOM 11273 H1 TIP3 2963 54.407 33.138 49.035 1.00 0.00 WT1 H ATOM 11274 H2 TIP3 2963 54.031 34.569 49.353 1.00 0.00 WT1 H ATOM 11275 OH2 TIP3 2964 23.251 54.903 -17.241 1.00 0.00 WT1 O ATOM 11276 H1 TIP3 2964 23.254 54.688 -16.308 1.00 0.00 WT1 H ATOM 11277 H2 TIP3 2964 22.457 55.423 -17.365 1.00 0.00 WT1 H ATOM 11278 OH2 TIP3 2965 83.452 31.971 -19.630 1.00 0.00 WT1 O ATOM 11279 H1 TIP3 2965 83.969 32.096 -20.426 1.00 0.00 WT1 H ATOM 11280 H2 TIP3 2965 83.900 32.496 -18.967 1.00 0.00 WT1 H ATOM 11281 OH2 TIP3 2966 77.696 73.200 -8.223 1.00 0.00 WT1 O ATOM 11282 H1 TIP3 2966 77.218 73.590 -8.955 1.00 0.00 WT1 H ATOM 11283 H2 TIP3 2966 77.404 72.288 -8.205 1.00 0.00 WT1 H ATOM 11284 OH2 TIP3 2967 74.681 37.374 51.254 1.00 0.00 WT1 O ATOM 11285 H1 TIP3 2967 73.909 36.828 51.105 1.00 0.00 WT1 H ATOM 11286 H2 TIP3 2967 75.420 36.816 51.011 1.00 0.00 WT1 H ATOM 11287 OH2 TIP3 2968 79.554 66.270 9.503 1.00 0.00 WT1 O ATOM 11288 H1 TIP3 2968 79.218 66.164 10.393 1.00 0.00 WT1 H ATOM 11289 H2 TIP3 2968 79.676 65.376 9.184 1.00 0.00 WT1 H ATOM 11290 OH2 TIP3 2969 31.546 62.872 31.870 1.00 0.00 WT1 O ATOM 11291 H1 TIP3 2969 32.413 62.926 31.466 1.00 0.00 WT1 H ATOM 11292 H2 TIP3 2969 31.208 63.766 31.834 1.00 0.00 WT1 H ATOM 11293 OH2 TIP3 2971 27.054 23.369 50.724 1.00 0.00 WT1 O ATOM 11294 H1 TIP3 2971 26.573 23.790 51.436 1.00 0.00 WT1 H ATOM 11295 H2 TIP3 2971 26.708 22.477 50.695 1.00 0.00 WT1 H ATOM 11296 OH2 TIP3 2972 23.281 47.342 -18.101 1.00 0.00 WT1 O ATOM 11297 H1 TIP3 2972 23.966 47.690 -17.530 1.00 0.00 WT1 H ATOM 11298 H2 TIP3 2972 23.750 46.808 -18.741 1.00 0.00 WT1 H ATOM 11299 OH2 TIP3 2978 89.690 67.645 11.780 1.00 0.00 WT1 O ATOM 11300 H1 TIP3 2978 90.185 67.549 10.966 1.00 0.00 WT1 H ATOM 11301 H2 TIP3 2978 88.797 67.389 11.549 1.00 0.00 WT1 H ATOM 11302 OH2 TIP3 2979 27.064 12.340 58.954 1.00 0.00 WT1 O ATOM 11303 H1 TIP3 2979 26.824 11.431 58.776 1.00 0.00 WT1 H ATOM 11304 H2 TIP3 2979 27.765 12.531 58.331 1.00 0.00 WT1 H ATOM 11305 OH2 TIP3 2981 80.163 7.755 58.684 1.00 0.00 WT1 O ATOM 11306 H1 TIP3 2981 79.725 7.981 57.864 1.00 0.00 WT1 H ATOM 11307 H2 TIP3 2981 79.464 7.751 59.338 1.00 0.00 WT1 H ATOM 11308 OH2 TIP3 2982 39.714 23.231 5.303 1.00 0.00 WT1 O ATOM 11309 H1 TIP3 2982 39.491 23.334 6.228 1.00 0.00 WT1 H ATOM 11310 H2 TIP3 2982 40.422 23.860 5.156 1.00 0.00 WT1 H ATOM 11311 OH2 TIP3 2983 46.143 18.196 65.132 1.00 0.00 WT1 O ATOM 11312 H1 TIP3 2983 46.270 17.692 65.935 1.00 0.00 WT1 H ATOM 11313 H2 TIP3 2983 46.845 17.902 64.551 1.00 0.00 WT1 H ATOM 11314 OH2 TIP3 2984 63.592 69.565 -10.182 1.00 0.00 WT1 O ATOM 11315 H1 TIP3 2984 64.306 69.327 -10.774 1.00 0.00 WT1 H ATOM 11316 H2 TIP3 2984 63.348 68.742 -9.758 1.00 0.00 WT1 H ATOM 11317 OH2 TIP3 2985 43.236 34.047 38.618 1.00 0.00 WT1 O ATOM 11318 H1 TIP3 2985 43.822 33.692 37.950 1.00 0.00 WT1 H ATOM 11319 H2 TIP3 2985 42.391 34.130 38.176 1.00 0.00 WT1 H ATOM 11320 OH2 TIP3 2986 89.093 23.474 5.097 1.00 0.00 WT1 O ATOM 11321 H1 TIP3 2986 89.917 23.039 5.314 1.00 0.00 WT1 H ATOM 11322 H2 TIP3 2986 89.098 23.535 4.141 1.00 0.00 WT1 H ATOM 11323 OH2 TIP3 2987 34.004 46.193 -10.642 1.00 0.00 WT1 O ATOM 11324 H1 TIP3 2987 33.667 46.050 -9.757 1.00 0.00 WT1 H ATOM 11325 H2 TIP3 2987 33.598 47.013 -10.923 1.00 0.00 WT1 H ATOM 11326 OH2 TIP3 2988 84.248 52.385 9.078 1.00 0.00 WT1 O ATOM 11327 H1 TIP3 2988 83.446 52.075 9.498 1.00 0.00 WT1 H ATOM 11328 H2 TIP3 2988 84.880 52.459 9.793 1.00 0.00 WT1 H ATOM 11329 OH2 TIP3 2989 78.903 67.078 -4.708 1.00 0.00 WT1 O ATOM 11330 H1 TIP3 2989 78.395 66.993 -3.902 1.00 0.00 WT1 H ATOM 11331 H2 TIP3 2989 78.284 67.435 -5.346 1.00 0.00 WT1 H ATOM 11332 OH2 TIP3 2990 53.198 69.678 12.923 1.00 0.00 WT1 O ATOM 11333 H1 TIP3 2990 52.544 69.933 13.574 1.00 0.00 WT1 H ATOM 11334 H2 TIP3 2990 54.038 69.885 13.333 1.00 0.00 WT1 H ATOM 11335 OH2 TIP3 2991 89.810 13.604 -5.693 1.00 0.00 WT1 O ATOM 11336 H1 TIP3 2991 89.699 13.604 -4.742 1.00 0.00 WT1 H ATOM 11337 H2 TIP3 2991 90.745 13.451 -5.826 1.00 0.00 WT1 H ATOM 11338 OH2 TIP3 2992 27.751 64.824 40.412 1.00 0.00 WT1 O ATOM 11339 H1 TIP3 2992 28.342 64.902 39.664 1.00 0.00 WT1 H ATOM 11340 H2 TIP3 2992 28.085 64.073 40.904 1.00 0.00 WT1 H ATOM 11341 OH2 TIP3 2993 37.288 29.961 -7.116 1.00 0.00 WT1 O ATOM 11342 H1 TIP3 2993 36.631 29.304 -7.349 1.00 0.00 WT1 H ATOM 11343 H2 TIP3 2993 36.957 30.775 -7.494 1.00 0.00 WT1 H ATOM 11344 OH2 TIP3 2998 55.506 68.374 45.227 1.00 0.00 WT1 O ATOM 11345 H1 TIP3 2998 56.216 67.732 45.237 1.00 0.00 WT1 H ATOM 11346 H2 TIP3 2998 54.708 67.852 45.313 1.00 0.00 WT1 H ATOM 11347 OH2 TIP3 3000 79.344 59.572 31.857 1.00 0.00 WT1 O ATOM 11348 H1 TIP3 3000 80.203 59.994 31.831 1.00 0.00 WT1 H ATOM 11349 H2 TIP3 3000 79.125 59.418 30.938 1.00 0.00 WT1 H ATOM 11350 OH2 TIP3 3001 33.122 35.494 38.477 1.00 0.00 WT1 O ATOM 11351 H1 TIP3 3001 34.002 35.301 38.155 1.00 0.00 WT1 H ATOM 11352 H2 TIP3 3001 32.972 36.407 38.233 1.00 0.00 WT1 H ATOM 11353 OH2 TIP3 3002 77.605 72.906 -15.732 1.00 0.00 WT1 O ATOM 11354 H1 TIP3 3002 77.569 72.048 -15.309 1.00 0.00 WT1 H ATOM 11355 H2 TIP3 3002 78.538 73.119 -15.764 1.00 0.00 WT1 H ATOM 11356 OH2 TIP3 3003 28.376 28.030 63.514 1.00 0.00 WT1 O ATOM 11357 H1 TIP3 3003 28.288 28.234 64.445 1.00 0.00 WT1 H ATOM 11358 H2 TIP3 3003 27.685 28.539 63.091 1.00 0.00 WT1 H ATOM 11359 OH2 TIP3 3004 46.912 36.671 22.225 1.00 0.00 WT1 O ATOM 11360 H1 TIP3 3004 47.161 37.372 21.622 1.00 0.00 WT1 H ATOM 11361 H2 TIP3 3004 47.743 36.281 22.495 1.00 0.00 WT1 H ATOM 11362 OH2 TIP3 3005 67.978 18.099 -17.976 1.00 0.00 WT1 O ATOM 11363 H1 TIP3 3005 68.786 18.241 -18.469 1.00 0.00 WT1 H ATOM 11364 H2 TIP3 3005 68.112 17.263 -17.530 1.00 0.00 WT1 H ATOM 11365 OH2 TIP3 3006 31.709 50.441 56.706 1.00 0.00 WT1 O ATOM 11366 H1 TIP3 3006 30.947 50.714 57.216 1.00 0.00 WT1 H ATOM 11367 H2 TIP3 3006 32.452 50.862 57.140 1.00 0.00 WT1 H ATOM 11368 OH2 TIP3 3007 87.900 57.488 8.862 1.00 0.00 WT1 O ATOM 11369 H1 TIP3 3007 88.692 58.014 8.982 1.00 0.00 WT1 H ATOM 11370 H2 TIP3 3007 88.139 56.843 8.197 1.00 0.00 WT1 H ATOM 11371 OH2 TIP3 3008 58.527 60.963 23.321 1.00 0.00 WT1 O ATOM 11372 H1 TIP3 3008 58.452 61.210 22.399 1.00 0.00 WT1 H ATOM 11373 H2 TIP3 3008 57.996 60.170 23.401 1.00 0.00 WT1 H ATOM 11374 OH2 TIP3 3009 78.156 93.802 46.752 1.00 0.00 WT1 O ATOM 11375 H1 TIP3 3009 77.340 94.269 46.934 1.00 0.00 WT1 H ATOM 11376 H2 TIP3 3009 77.909 93.126 46.120 1.00 0.00 WT1 H ATOM 11377 OH2 TIP3 3010 72.972 16.542 65.047 1.00 0.00 WT1 O ATOM 11378 H1 TIP3 3010 72.216 16.379 65.611 1.00 0.00 WT1 H ATOM 11379 H2 TIP3 3010 72.643 17.131 64.368 1.00 0.00 WT1 H ATOM 11380 OH2 TIP3 3011 85.201 79.863 53.722 1.00 0.00 WT1 O ATOM 11381 H1 TIP3 3011 84.760 80.691 53.909 1.00 0.00 WT1 H ATOM 11382 H2 TIP3 3011 85.629 80.004 52.877 1.00 0.00 WT1 H ATOM 11383 OH2 TIP3 3012 32.983 9.490 13.026 1.00 0.00 WT1 O ATOM 11384 H1 TIP3 3012 33.571 9.777 12.327 1.00 0.00 WT1 H ATOM 11385 H2 TIP3 3012 32.896 10.255 13.596 1.00 0.00 WT1 H ATOM 11386 OH2 TIP3 3013 64.862 33.468 -4.485 1.00 0.00 WT1 O ATOM 11387 H1 TIP3 3013 65.784 33.588 -4.709 1.00 0.00 WT1 H ATOM 11388 H2 TIP3 3013 64.775 32.529 -4.317 1.00 0.00 WT1 H ATOM 11389 OH2 TIP3 3014 52.066 28.874 12.083 1.00 0.00 WT1 O ATOM 11390 H1 TIP3 3014 52.185 28.026 11.655 1.00 0.00 WT1 H ATOM 11391 H2 TIP3 3014 51.670 29.429 11.411 1.00 0.00 WT1 H ATOM 11392 OH2 TIP3 3015 46.238 39.257 24.289 1.00 0.00 WT1 O ATOM 11393 H1 TIP3 3015 46.534 40.066 23.872 1.00 0.00 WT1 H ATOM 11394 H2 TIP3 3015 46.998 38.676 24.251 1.00 0.00 WT1 H ATOM 11395 OH2 TIP3 3016 82.601 27.276 7.264 1.00 0.00 WT1 O ATOM 11396 H1 TIP3 3016 82.715 26.882 6.400 1.00 0.00 WT1 H ATOM 11397 H2 TIP3 3016 82.646 28.219 7.107 1.00 0.00 WT1 H ATOM 11398 OH2 TIP3 3018 76.851 70.446 56.359 1.00 0.00 WT1 O ATOM 11399 H1 TIP3 3018 76.888 70.052 55.487 1.00 0.00 WT1 H ATOM 11400 H2 TIP3 3018 75.926 70.406 56.602 1.00 0.00 WT1 H ATOM 11401 OH2 TIP3 3019 81.739 34.124 -3.534 1.00 0.00 WT1 O ATOM 11402 H1 TIP3 3019 80.972 34.391 -3.027 1.00 0.00 WT1 H ATOM 11403 H2 TIP3 3019 82.179 33.477 -2.982 1.00 0.00 WT1 H ATOM 11404 OH2 TIP3 3021 78.214 38.802 9.393 1.00 0.00 WT1 O ATOM 11405 H1 TIP3 3021 77.364 38.363 9.443 1.00 0.00 WT1 H ATOM 11406 H2 TIP3 3021 78.000 39.723 9.244 1.00 0.00 WT1 H ATOM 11407 OH2 TIP3 3023 49.636 25.362 -10.051 1.00 0.00 WT1 O ATOM 11408 H1 TIP3 3023 49.088 24.599 -10.236 1.00 0.00 WT1 H ATOM 11409 H2 TIP3 3023 50.523 25.010 -9.985 1.00 0.00 WT1 H ATOM 11410 OH2 TIP3 3024 50.072 52.312 55.609 1.00 0.00 WT1 O ATOM 11411 H1 TIP3 3024 50.202 53.149 55.163 1.00 0.00 WT1 H ATOM 11412 H2 TIP3 3024 50.935 51.898 55.599 1.00 0.00 WT1 H ATOM 11413 OH2 TIP3 3025 79.869 91.369 44.022 1.00 0.00 WT1 O ATOM 11414 H1 TIP3 3025 79.872 92.326 44.004 1.00 0.00 WT1 H ATOM 11415 H2 TIP3 3025 79.507 91.114 43.174 1.00 0.00 WT1 H ATOM 11416 OH2 TIP3 3027 21.859 24.915 -17.942 1.00 0.00 WT1 O ATOM 11417 H1 TIP3 3027 22.564 25.252 -17.390 1.00 0.00 WT1 H ATOM 11418 H2 TIP3 3027 21.268 25.659 -18.058 1.00 0.00 WT1 H ATOM 11419 OH2 TIP3 3028 38.770 45.152 -7.210 1.00 0.00 WT1 O ATOM 11420 H1 TIP3 3028 38.049 45.781 -7.185 1.00 0.00 WT1 H ATOM 11421 H2 TIP3 3028 39.050 45.144 -8.126 1.00 0.00 WT1 H ATOM 11422 OH2 TIP3 3029 23.910 28.741 10.175 1.00 0.00 WT1 O ATOM 11423 H1 TIP3 3029 24.618 28.287 10.632 1.00 0.00 WT1 H ATOM 11424 H2 TIP3 3029 23.152 28.165 10.276 1.00 0.00 WT1 H ATOM 11425 OH2 TIP3 3030 25.994 27.614 3.536 1.00 0.00 WT1 O ATOM 11426 H1 TIP3 3030 25.340 28.306 3.638 1.00 0.00 WT1 H ATOM 11427 H2 TIP3 3030 25.868 27.295 2.643 1.00 0.00 WT1 H ATOM 11428 OH2 TIP3 3032 55.406 57.132 22.718 1.00 0.00 WT1 O ATOM 11429 H1 TIP3 3032 54.528 57.508 22.662 1.00 0.00 WT1 H ATOM 11430 H2 TIP3 3032 55.445 56.505 21.995 1.00 0.00 WT1 H ATOM 11431 OH2 TIP3 3033 28.235 53.012 5.905 1.00 0.00 WT1 O ATOM 11432 H1 TIP3 3033 27.727 53.765 6.208 1.00 0.00 WT1 H ATOM 11433 H2 TIP3 3033 28.698 52.705 6.684 1.00 0.00 WT1 H ATOM 11434 OH2 TIP3 3035 82.611 18.815 -7.462 1.00 0.00 WT1 O ATOM 11435 H1 TIP3 3035 82.239 19.695 -7.531 1.00 0.00 WT1 H ATOM 11436 H2 TIP3 3035 82.388 18.395 -8.293 1.00 0.00 WT1 H ATOM 11437 OH2 TIP3 3037 23.718 23.484 6.753 1.00 0.00 WT1 O ATOM 11438 H1 TIP3 3037 24.450 23.241 7.320 1.00 0.00 WT1 H ATOM 11439 H2 TIP3 3037 24.006 23.246 5.872 1.00 0.00 WT1 H ATOM 11440 OH2 TIP3 3038 77.482 94.178 12.020 1.00 0.00 WT1 O ATOM 11441 H1 TIP3 3038 77.720 94.019 11.107 1.00 0.00 WT1 H ATOM 11442 H2 TIP3 3038 77.983 93.529 12.515 1.00 0.00 WT1 H ATOM 11443 OH2 TIP3 3039 75.831 50.743 64.168 1.00 0.00 WT1 O ATOM 11444 H1 TIP3 3039 75.000 50.937 64.602 1.00 0.00 WT1 H ATOM 11445 H2 TIP3 3039 76.497 50.944 64.825 1.00 0.00 WT1 H ATOM 11446 OH2 TIP3 3040 43.742 53.884 20.891 1.00 0.00 WT1 O ATOM 11447 H1 TIP3 3040 43.395 54.149 20.039 1.00 0.00 WT1 H ATOM 11448 H2 TIP3 3040 43.373 54.517 21.508 1.00 0.00 WT1 H ATOM 11449 OH2 TIP3 3041 42.816 40.680 40.120 1.00 0.00 WT1 O ATOM 11450 H1 TIP3 3041 41.941 40.492 40.461 1.00 0.00 WT1 H ATOM 11451 H2 TIP3 3041 42.667 40.950 39.213 1.00 0.00 WT1 H ATOM 11452 OH2 TIP3 3042 86.458 20.447 49.599 1.00 0.00 WT1 O ATOM 11453 H1 TIP3 3042 86.070 20.229 50.446 1.00 0.00 WT1 H ATOM 11454 H2 TIP3 3042 86.358 19.651 49.077 1.00 0.00 WT1 H ATOM 11455 OH2 TIP3 3043 65.106 30.273 42.490 1.00 0.00 WT1 O ATOM 11456 H1 TIP3 3043 64.416 30.056 43.117 1.00 0.00 WT1 H ATOM 11457 H2 TIP3 3043 64.813 31.089 42.084 1.00 0.00 WT1 H ATOM 11458 OH2 TIP3 3044 47.338 77.376 9.284 1.00 0.00 WT1 O ATOM 11459 H1 TIP3 3044 47.719 77.284 8.410 1.00 0.00 WT1 H ATOM 11460 H2 TIP3 3044 47.881 76.818 9.841 1.00 0.00 WT1 H ATOM 11461 OH2 TIP3 3045 30.565 56.184 58.365 1.00 0.00 WT1 O ATOM 11462 H1 TIP3 3045 30.223 55.571 57.713 1.00 0.00 WT1 H ATOM 11463 H2 TIP3 3045 30.925 55.625 59.054 1.00 0.00 WT1 H ATOM 11464 OH2 TIP3 3046 43.623 18.399 0.866 1.00 0.00 WT1 O ATOM 11465 H1 TIP3 3046 43.602 17.676 1.493 1.00 0.00 WT1 H ATOM 11466 H2 TIP3 3046 44.068 18.040 0.099 1.00 0.00 WT1 H ATOM 11467 OH2 TIP3 3047 36.825 80.992 -10.010 1.00 0.00 WT1 O ATOM 11468 H1 TIP3 3047 37.063 81.823 -9.600 1.00 0.00 WT1 H ATOM 11469 H2 TIP3 3047 35.872 80.951 -9.937 1.00 0.00 WT1 H ATOM 11470 OH2 TIP3 3048 39.693 5.389 66.730 1.00 0.00 WT1 O ATOM 11471 H1 TIP3 3048 39.791 5.497 65.784 1.00 0.00 WT1 H ATOM 11472 H2 TIP3 3048 40.559 5.590 67.086 1.00 0.00 WT1 H ATOM 11473 OH2 TIP3 3049 28.619 12.815 48.666 1.00 0.00 WT1 O ATOM 11474 H1 TIP3 3049 29.307 12.574 49.285 1.00 0.00 WT1 H ATOM 11475 H2 TIP3 3049 28.989 13.543 48.167 1.00 0.00 WT1 H ATOM 11476 OH2 TIP3 3050 55.494 59.606 -17.112 1.00 0.00 WT1 O ATOM 11477 H1 TIP3 3050 56.417 59.746 -17.322 1.00 0.00 WT1 H ATOM 11478 H2 TIP3 3050 55.378 60.017 -16.256 1.00 0.00 WT1 H ATOM 11479 OH2 TIP3 3051 21.301 68.076 60.816 1.00 0.00 WT1 O ATOM 11480 H1 TIP3 3051 21.624 67.433 60.185 1.00 0.00 WT1 H ATOM 11481 H2 TIP3 3051 20.424 67.768 61.046 1.00 0.00 WT1 H ATOM 11482 OH2 TIP3 3052 34.513 38.586 3.784 1.00 0.00 WT1 O ATOM 11483 H1 TIP3 3052 34.544 37.888 4.439 1.00 0.00 WT1 H ATOM 11484 H2 TIP3 3052 34.636 39.392 4.286 1.00 0.00 WT1 H ATOM 11485 OH2 TIP3 3053 81.843 45.202 -10.088 1.00 0.00 WT1 O ATOM 11486 H1 TIP3 3053 81.459 44.379 -10.390 1.00 0.00 WT1 H ATOM 11487 H2 TIP3 3053 82.782 45.025 -10.038 1.00 0.00 WT1 H ATOM 11488 OH2 TIP3 3054 28.362 67.585 11.560 1.00 0.00 WT1 O ATOM 11489 H1 TIP3 3054 29.108 67.297 12.086 1.00 0.00 WT1 H ATOM 11490 H2 TIP3 3054 28.140 68.448 11.911 1.00 0.00 WT1 H ATOM 11491 OH2 TIP3 3056 44.110 52.382 23.335 1.00 0.00 WT1 O ATOM 11492 H1 TIP3 3056 43.459 52.760 23.926 1.00 0.00 WT1 H ATOM 11493 H2 TIP3 3056 44.459 51.629 23.813 1.00 0.00 WT1 H ATOM 11494 OH2 TIP3 3057 72.703 13.215 65.482 1.00 0.00 WT1 O ATOM 11495 H1 TIP3 3057 73.647 13.206 65.643 1.00 0.00 WT1 H ATOM 11496 H2 TIP3 3057 72.310 13.117 66.349 1.00 0.00 WT1 H ATOM 11497 OH2 TIP3 3059 70.299 88.733 45.825 1.00 0.00 WT1 O ATOM 11498 H1 TIP3 3059 69.350 88.838 45.893 1.00 0.00 WT1 H ATOM 11499 H2 TIP3 3059 70.594 88.629 46.730 1.00 0.00 WT1 H ATOM 11500 OH2 TIP3 3062 81.784 85.657 32.467 1.00 0.00 WT1 O ATOM 11501 H1 TIP3 3062 81.307 86.465 32.274 1.00 0.00 WT1 H ATOM 11502 H2 TIP3 3062 81.260 84.967 32.061 1.00 0.00 WT1 H ATOM 11503 OH2 TIP3 3063 87.615 37.347 -3.245 1.00 0.00 WT1 O ATOM 11504 H1 TIP3 3063 87.346 38.231 -2.994 1.00 0.00 WT1 H ATOM 11505 H2 TIP3 3063 87.975 37.446 -4.126 1.00 0.00 WT1 H ATOM 11506 OH2 TIP3 3065 47.196 15.630 1.981 1.00 0.00 WT1 O ATOM 11507 H1 TIP3 3065 47.112 15.139 2.799 1.00 0.00 WT1 H ATOM 11508 H2 TIP3 3065 47.795 16.346 2.192 1.00 0.00 WT1 H ATOM 11509 OH2 TIP3 3066 22.982 50.031 28.006 1.00 0.00 WT1 O ATOM 11510 H1 TIP3 3066 22.846 50.285 27.093 1.00 0.00 WT1 H ATOM 11511 H2 TIP3 3066 22.273 50.461 28.483 1.00 0.00 WT1 H ATOM 11512 OH2 TIP3 3067 51.137 39.467 11.536 1.00 0.00 WT1 O ATOM 11513 H1 TIP3 3067 50.799 39.280 12.412 1.00 0.00 WT1 H ATOM 11514 H2 TIP3 3067 51.340 38.606 11.168 1.00 0.00 WT1 H ATOM 11515 OH2 TIP3 3069 36.754 43.148 46.186 1.00 0.00 WT1 O ATOM 11516 H1 TIP3 3069 36.008 42.663 46.538 1.00 0.00 WT1 H ATOM 11517 H2 TIP3 3069 36.590 44.057 46.437 1.00 0.00 WT1 H ATOM 11518 OH2 TIP3 3070 64.932 19.478 35.443 1.00 0.00 WT1 O ATOM 11519 H1 TIP3 3070 64.669 19.877 34.614 1.00 0.00 WT1 H ATOM 11520 H2 TIP3 3070 64.638 20.097 36.111 1.00 0.00 WT1 H ATOM 11521 OH2 TIP3 3071 89.479 12.055 65.673 1.00 0.00 WT1 O ATOM 11522 H1 TIP3 3071 90.216 11.710 66.176 1.00 0.00 WT1 H ATOM 11523 H2 TIP3 3071 89.463 12.989 65.882 1.00 0.00 WT1 H ATOM 11524 OH2 TIP3 3072 41.901 70.684 13.071 1.00 0.00 WT1 O ATOM 11525 H1 TIP3 3072 42.618 70.258 12.602 1.00 0.00 WT1 H ATOM 11526 H2 TIP3 3072 41.764 70.140 13.847 1.00 0.00 WT1 H ATOM 11527 OH2 TIP3 3073 69.343 82.038 -14.490 1.00 0.00 WT1 O ATOM 11528 H1 TIP3 3073 70.074 82.409 -14.985 1.00 0.00 WT1 H ATOM 11529 H2 TIP3 3073 69.437 81.091 -14.597 1.00 0.00 WT1 H ATOM 11530 OH2 TIP3 3074 68.329 62.302 17.276 1.00 0.00 WT1 O ATOM 11531 H1 TIP3 3074 67.975 61.421 17.152 1.00 0.00 WT1 H ATOM 11532 H2 TIP3 3074 67.993 62.578 18.129 1.00 0.00 WT1 H ATOM 11533 OH2 TIP3 3075 67.291 10.772 -4.011 1.00 0.00 WT1 O ATOM 11534 H1 TIP3 3075 67.755 9.955 -3.831 1.00 0.00 WT1 H ATOM 11535 H2 TIP3 3075 67.572 11.019 -4.892 1.00 0.00 WT1 H ATOM 11536 OH2 TIP3 3077 69.857 66.282 19.096 1.00 0.00 WT1 O ATOM 11537 H1 TIP3 3077 68.974 66.107 19.421 1.00 0.00 WT1 H ATOM 11538 H2 TIP3 3077 70.216 65.416 18.900 1.00 0.00 WT1 H ATOM 11539 OH2 TIP3 3079 59.795 75.760 25.541 1.00 0.00 WT1 O ATOM 11540 H1 TIP3 3079 60.126 75.024 25.026 1.00 0.00 WT1 H ATOM 11541 H2 TIP3 3079 58.911 75.496 25.796 1.00 0.00 WT1 H ATOM 11542 OH2 TIP3 3080 28.263 16.820 45.837 1.00 0.00 WT1 O ATOM 11543 H1 TIP3 3080 28.075 17.616 46.334 1.00 0.00 WT1 H ATOM 11544 H2 TIP3 3080 28.762 17.123 45.078 1.00 0.00 WT1 H ATOM 11545 OH2 TIP3 3081 51.403 85.850 22.740 1.00 0.00 WT1 O ATOM 11546 H1 TIP3 3081 51.140 86.751 22.556 1.00 0.00 WT1 H ATOM 11547 H2 TIP3 3081 51.329 85.401 21.898 1.00 0.00 WT1 H ATOM 11548 OH2 TIP3 3082 56.318 22.502 19.235 1.00 0.00 WT1 O ATOM 11549 H1 TIP3 3082 55.544 22.293 18.712 1.00 0.00 WT1 H ATOM 11550 H2 TIP3 3082 56.002 23.116 19.898 1.00 0.00 WT1 H ATOM 11551 OH2 TIP3 3083 48.066 51.622 39.965 1.00 0.00 WT1 O ATOM 11552 H1 TIP3 3083 48.427 51.583 39.079 1.00 0.00 WT1 H ATOM 11553 H2 TIP3 3083 48.091 52.551 40.194 1.00 0.00 WT1 H ATOM 11554 OH2 TIP3 3084 48.010 18.714 59.341 1.00 0.00 WT1 O ATOM 11555 H1 TIP3 3084 48.185 19.308 58.612 1.00 0.00 WT1 H ATOM 11556 H2 TIP3 3084 48.572 17.957 59.175 1.00 0.00 WT1 H ATOM 11557 OH2 TIP3 3085 75.647 13.141 66.099 1.00 0.00 WT1 O ATOM 11558 H1 TIP3 3085 75.935 12.293 66.439 1.00 0.00 WT1 H ATOM 11559 H2 TIP3 3085 76.428 13.512 65.689 1.00 0.00 WT1 H ATOM 11560 OH2 TIP3 3086 60.485 59.512 -7.318 1.00 0.00 WT1 O ATOM 11561 H1 TIP3 3086 59.715 60.012 -7.047 1.00 0.00 WT1 H ATOM 11562 H2 TIP3 3086 60.341 58.637 -6.958 1.00 0.00 WT1 H ATOM 11563 OH2 TIP3 3087 53.060 9.656 3.486 1.00 0.00 WT1 O ATOM 11564 H1 TIP3 3087 52.220 9.344 3.149 1.00 0.00 WT1 H ATOM 11565 H2 TIP3 3087 52.849 10.038 4.338 1.00 0.00 WT1 H ATOM 11566 OH2 TIP3 3088 77.967 80.507 -18.412 1.00 0.00 WT1 O ATOM 11567 H1 TIP3 3088 77.109 80.143 -18.192 1.00 0.00 WT1 H ATOM 11568 H2 TIP3 3088 78.328 80.795 -17.573 1.00 0.00 WT1 H ATOM 11569 OH2 TIP3 3089 89.537 28.786 1.504 1.00 0.00 WT1 O ATOM 11570 H1 TIP3 3089 89.803 27.936 1.156 1.00 0.00 WT1 H ATOM 11571 H2 TIP3 3089 88.604 28.849 1.301 1.00 0.00 WT1 H ATOM 11572 OH2 TIP3 3090 58.653 46.611 55.582 1.00 0.00 WT1 O ATOM 11573 H1 TIP3 3090 57.848 46.386 55.115 1.00 0.00 WT1 H ATOM 11574 H2 TIP3 3090 58.889 45.811 56.052 1.00 0.00 WT1 H ATOM 11575 OH2 TIP3 3091 41.797 94.447 -10.706 1.00 0.00 WT1 O ATOM 11576 H1 TIP3 3091 41.769 94.992 -9.920 1.00 0.00 WT1 H ATOM 11577 H2 TIP3 3091 41.241 94.906 -11.336 1.00 0.00 WT1 H ATOM 11578 OH2 TIP3 3092 32.515 46.047 50.348 1.00 0.00 WT1 O ATOM 11579 H1 TIP3 3092 33.417 46.360 50.416 1.00 0.00 WT1 H ATOM 11580 H2 TIP3 3092 32.123 46.258 51.195 1.00 0.00 WT1 H ATOM 11581 OH2 TIP3 3093 41.512 23.442 26.787 1.00 0.00 WT1 O ATOM 11582 H1 TIP3 3093 41.578 22.634 26.279 1.00 0.00 WT1 H ATOM 11583 H2 TIP3 3093 40.668 23.816 26.535 1.00 0.00 WT1 H ATOM 11584 OH2 TIP3 3094 24.563 24.791 24.089 1.00 0.00 WT1 O ATOM 11585 H1 TIP3 3094 24.258 23.911 23.870 1.00 0.00 WT1 H ATOM 11586 H2 TIP3 3094 23.960 25.375 23.628 1.00 0.00 WT1 H ATOM 11587 OH2 TIP3 3095 41.944 40.578 -15.889 1.00 0.00 WT1 O ATOM 11588 H1 TIP3 3095 41.251 40.348 -16.508 1.00 0.00 WT1 H ATOM 11589 H2 TIP3 3095 41.754 41.483 -15.642 1.00 0.00 WT1 H ATOM 11590 OH2 TIP3 3096 34.401 15.912 12.405 1.00 0.00 WT1 O ATOM 11591 H1 TIP3 3096 34.496 16.444 13.195 1.00 0.00 WT1 H ATOM 11592 H2 TIP3 3096 35.293 15.642 12.188 1.00 0.00 WT1 H ATOM 11593 OH2 TIP3 3097 20.966 78.608 52.774 1.00 0.00 WT1 O ATOM 11594 H1 TIP3 3097 20.723 77.717 53.025 1.00 0.00 WT1 H ATOM 11595 H2 TIP3 3097 21.876 78.698 53.057 1.00 0.00 WT1 H ATOM 11596 OH2 TIP3 3098 84.606 32.567 15.103 1.00 0.00 WT1 O ATOM 11597 H1 TIP3 3098 84.180 32.221 14.319 1.00 0.00 WT1 H ATOM 11598 H2 TIP3 3098 83.966 32.433 15.803 1.00 0.00 WT1 H ATOM 11599 OH2 TIP3 3100 47.449 65.462 -9.056 1.00 0.00 WT1 O ATOM 11600 H1 TIP3 3100 46.512 65.284 -8.967 1.00 0.00 WT1 H ATOM 11601 H2 TIP3 3100 47.614 66.183 -8.448 1.00 0.00 WT1 H ATOM 11602 OH2 TIP3 3102 22.050 6.222 52.441 1.00 0.00 WT1 O ATOM 11603 H1 TIP3 3102 22.033 6.051 51.499 1.00 0.00 WT1 H ATOM 11604 H2 TIP3 3102 21.831 5.382 52.842 1.00 0.00 WT1 H ATOM 11605 OH2 TIP3 3103 33.387 51.307 52.226 1.00 0.00 WT1 O ATOM 11606 H1 TIP3 3103 34.208 51.038 52.638 1.00 0.00 WT1 H ATOM 11607 H2 TIP3 3103 32.813 50.546 52.314 1.00 0.00 WT1 H ATOM 11608 OH2 TIP3 3104 29.328 32.279 59.056 1.00 0.00 WT1 O ATOM 11609 H1 TIP3 3104 29.123 32.766 59.855 1.00 0.00 WT1 H ATOM 11610 H2 TIP3 3104 28.898 32.773 58.358 1.00 0.00 WT1 H ATOM 11611 OH2 TIP3 3105 20.981 85.972 13.855 1.00 0.00 WT1 O ATOM 11612 H1 TIP3 3105 20.386 85.998 14.605 1.00 0.00 WT1 H ATOM 11613 H2 TIP3 3105 21.794 85.609 14.206 1.00 0.00 WT1 H ATOM 11614 OH2 TIP3 3106 47.488 77.087 -19.421 1.00 0.00 WT1 O ATOM 11615 H1 TIP3 3106 48.410 76.842 -19.496 1.00 0.00 WT1 H ATOM 11616 H2 TIP3 3106 47.012 76.361 -19.824 1.00 0.00 WT1 H ATOM 11617 OH2 TIP3 3107 85.493 12.805 48.945 1.00 0.00 WT1 O ATOM 11618 H1 TIP3 3107 85.528 12.740 49.899 1.00 0.00 WT1 H ATOM 11619 H2 TIP3 3107 84.562 12.733 48.734 1.00 0.00 WT1 H ATOM 11620 OH2 TIP3 3108 29.891 12.458 6.603 1.00 0.00 WT1 O ATOM 11621 H1 TIP3 3108 30.660 12.202 7.112 1.00 0.00 WT1 H ATOM 11622 H2 TIP3 3108 29.271 12.787 7.253 1.00 0.00 WT1 H ATOM 11623 OH2 TIP3 3109 86.729 12.293 5.152 1.00 0.00 WT1 O ATOM 11624 H1 TIP3 3109 85.929 11.844 4.877 1.00 0.00 WT1 H ATOM 11625 H2 TIP3 3109 86.419 13.083 5.596 1.00 0.00 WT1 H ATOM 11626 OH2 TIP3 3110 50.639 65.313 10.951 1.00 0.00 WT1 O ATOM 11627 H1 TIP3 3110 50.161 65.293 11.780 1.00 0.00 WT1 H ATOM 11628 H2 TIP3 3110 51.372 65.907 11.110 1.00 0.00 WT1 H ATOM 11629 OH2 TIP3 3111 51.375 36.768 10.875 1.00 0.00 WT1 O ATOM 11630 H1 TIP3 3111 51.176 36.542 11.784 1.00 0.00 WT1 H ATOM 11631 H2 TIP3 3111 51.635 35.940 10.473 1.00 0.00 WT1 H ATOM 11632 OH2 TIP3 3112 38.899 15.130 58.865 1.00 0.00 WT1 O ATOM 11633 H1 TIP3 3112 39.545 15.367 58.200 1.00 0.00 WT1 H ATOM 11634 H2 TIP3 3112 38.131 15.661 58.653 1.00 0.00 WT1 H ATOM 11635 OH2 TIP3 3113 87.568 16.694 5.634 1.00 0.00 WT1 O ATOM 11636 H1 TIP3 3113 88.201 17.233 6.108 1.00 0.00 WT1 H ATOM 11637 H2 TIP3 3113 86.935 16.425 6.299 1.00 0.00 WT1 H ATOM 11638 OH2 TIP3 3114 50.110 45.549 37.229 1.00 0.00 WT1 O ATOM 11639 H1 TIP3 3114 50.223 46.073 36.436 1.00 0.00 WT1 H ATOM 11640 H2 TIP3 3114 49.595 46.106 37.813 1.00 0.00 WT1 H ATOM 11641 OH2 TIP3 3115 64.234 36.459 -15.805 1.00 0.00 WT1 O ATOM 11642 H1 TIP3 3115 63.646 36.461 -16.561 1.00 0.00 WT1 H ATOM 11643 H2 TIP3 3115 63.677 36.704 -15.066 1.00 0.00 WT1 H ATOM 11644 OH2 TIP3 3116 50.815 40.067 0.752 1.00 0.00 WT1 O ATOM 11645 H1 TIP3 3116 50.227 40.575 0.194 1.00 0.00 WT1 H ATOM 11646 H2 TIP3 3116 50.833 40.545 1.580 1.00 0.00 WT1 H ATOM 11647 OH2 TIP3 3118 84.350 81.354 58.134 1.00 0.00 WT1 O ATOM 11648 H1 TIP3 3118 85.102 81.142 57.582 1.00 0.00 WT1 H ATOM 11649 H2 TIP3 3118 84.391 82.304 58.241 1.00 0.00 WT1 H ATOM 11650 OH2 TIP3 3119 79.754 34.090 62.861 1.00 0.00 WT1 O ATOM 11651 H1 TIP3 3119 80.359 33.505 63.316 1.00 0.00 WT1 H ATOM 11652 H2 TIP3 3119 79.001 33.538 62.648 1.00 0.00 WT1 H ATOM 11653 OH2 TIP3 3120 36.353 4.399 -11.660 1.00 0.00 WT1 O ATOM 11654 H1 TIP3 3120 36.638 4.860 -10.871 1.00 0.00 WT1 H ATOM 11655 H2 TIP3 3120 36.196 5.094 -12.300 1.00 0.00 WT1 H ATOM 11656 OH2 TIP3 3121 90.523 36.843 -10.860 1.00 0.00 WT1 O ATOM 11657 H1 TIP3 3121 89.592 36.696 -11.027 1.00 0.00 WT1 H ATOM 11658 H2 TIP3 3121 90.593 37.786 -10.710 1.00 0.00 WT1 H ATOM 11659 OH2 TIP3 3123 67.036 3.131 6.899 1.00 0.00 WT1 O ATOM 11660 H1 TIP3 3123 66.413 2.429 6.711 1.00 0.00 WT1 H ATOM 11661 H2 TIP3 3123 67.067 3.647 6.093 1.00 0.00 WT1 H ATOM 11662 OH2 TIP3 3124 27.469 14.858 43.180 1.00 0.00 WT1 O ATOM 11663 H1 TIP3 3124 26.992 14.856 42.350 1.00 0.00 WT1 H ATOM 11664 H2 TIP3 3124 27.124 15.615 43.654 1.00 0.00 WT1 H ATOM 11665 OH2 TIP3 3126 42.021 26.363 62.687 1.00 0.00 WT1 O ATOM 11666 H1 TIP3 3126 42.674 26.851 62.185 1.00 0.00 WT1 H ATOM 11667 H2 TIP3 3126 42.357 25.467 62.709 1.00 0.00 WT1 H ATOM 11668 OH2 TIP3 3128 85.567 89.289 4.055 1.00 0.00 WT1 O ATOM 11669 H1 TIP3 3128 85.994 88.536 4.465 1.00 0.00 WT1 H ATOM 11670 H2 TIP3 3128 85.446 89.915 4.769 1.00 0.00 WT1 H ATOM 11671 OH2 TIP3 3129 68.696 34.509 -7.756 1.00 0.00 WT1 O ATOM 11672 H1 TIP3 3129 69.356 35.099 -8.120 1.00 0.00 WT1 H ATOM 11673 H2 TIP3 3129 68.693 33.757 -8.348 1.00 0.00 WT1 H ATOM 11674 OH2 TIP3 3130 79.999 81.103 16.175 1.00 0.00 WT1 O ATOM 11675 H1 TIP3 3130 80.340 81.181 17.066 1.00 0.00 WT1 H ATOM 11676 H2 TIP3 3130 80.778 81.102 15.619 1.00 0.00 WT1 H ATOM 11677 OH2 TIP3 3131 68.817 7.029 20.107 1.00 0.00 WT1 O ATOM 11678 H1 TIP3 3131 69.687 6.750 19.824 1.00 0.00 WT1 H ATOM 11679 H2 TIP3 3131 68.215 6.565 19.525 1.00 0.00 WT1 H ATOM 11680 OH2 TIP3 3132 44.776 19.016 32.840 1.00 0.00 WT1 O ATOM 11681 H1 TIP3 3132 45.645 18.898 32.458 1.00 0.00 WT1 H ATOM 11682 H2 TIP3 3132 44.410 19.770 32.377 1.00 0.00 WT1 H ATOM 11683 OH2 TIP3 3134 44.569 61.942 15.845 1.00 0.00 WT1 O ATOM 11684 H1 TIP3 3134 45.318 62.538 15.821 1.00 0.00 WT1 H ATOM 11685 H2 TIP3 3134 43.809 62.507 15.702 1.00 0.00 WT1 H ATOM 11686 OH2 TIP3 3135 67.214 63.091 48.925 1.00 0.00 WT1 O ATOM 11687 H1 TIP3 3135 66.607 63.714 48.524 1.00 0.00 WT1 H ATOM 11688 H2 TIP3 3135 67.944 63.036 48.308 1.00 0.00 WT1 H ATOM 11689 OH2 TIP3 3136 44.165 71.451 1.161 1.00 0.00 WT1 O ATOM 11690 H1 TIP3 3136 43.336 71.235 1.588 1.00 0.00 WT1 H ATOM 11691 H2 TIP3 3136 44.630 70.617 1.103 1.00 0.00 WT1 H ATOM 11692 OH2 TIP3 3137 31.859 88.065 38.500 1.00 0.00 WT1 O ATOM 11693 H1 TIP3 3137 30.958 87.863 38.753 1.00 0.00 WT1 H ATOM 11694 H2 TIP3 3137 32.288 87.212 38.438 1.00 0.00 WT1 H ATOM 11695 OH2 TIP3 3138 22.854 42.131 34.572 1.00 0.00 WT1 O ATOM 11696 H1 TIP3 3138 23.566 42.735 34.787 1.00 0.00 WT1 H ATOM 11697 H2 TIP3 3138 22.392 42.553 33.848 1.00 0.00 WT1 H ATOM 11698 OH2 TIP3 3139 35.046 33.995 48.024 1.00 0.00 WT1 O ATOM 11699 H1 TIP3 3139 34.773 34.381 48.856 1.00 0.00 WT1 H ATOM 11700 H2 TIP3 3139 34.902 33.055 48.136 1.00 0.00 WT1 H ATOM 11701 OH2 TIP3 3140 76.259 51.189 -6.262 1.00 0.00 WT1 O ATOM 11702 H1 TIP3 3140 76.272 51.974 -6.809 1.00 0.00 WT1 H ATOM 11703 H2 TIP3 3140 75.481 51.291 -5.714 1.00 0.00 WT1 H ATOM 11704 OH2 TIP3 3142 43.550 5.955 -5.457 1.00 0.00 WT1 O ATOM 11705 H1 TIP3 3142 43.980 6.088 -4.612 1.00 0.00 WT1 H ATOM 11706 H2 TIP3 3142 43.983 5.186 -5.828 1.00 0.00 WT1 H ATOM 11707 OH2 TIP3 3143 47.716 63.402 7.545 1.00 0.00 WT1 O ATOM 11708 H1 TIP3 3143 48.323 64.066 7.871 1.00 0.00 WT1 H ATOM 11709 H2 TIP3 3143 48.216 62.587 7.570 1.00 0.00 WT1 H ATOM 11710 OH2 TIP3 3144 25.833 33.820 65.971 1.00 0.00 WT1 O ATOM 11711 H1 TIP3 3144 25.669 34.732 66.214 1.00 0.00 WT1 H ATOM 11712 H2 TIP3 3144 26.693 33.835 65.552 1.00 0.00 WT1 H ATOM 11713 OH2 TIP3 3145 61.293 35.601 40.991 1.00 0.00 WT1 O ATOM 11714 H1 TIP3 3145 60.963 36.421 40.623 1.00 0.00 WT1 H ATOM 11715 H2 TIP3 3145 62.092 35.419 40.496 1.00 0.00 WT1 H ATOM 11716 OH2 TIP3 3146 29.158 89.930 37.593 1.00 0.00 WT1 O ATOM 11717 H1 TIP3 3146 29.000 89.348 38.337 1.00 0.00 WT1 H ATOM 11718 H2 TIP3 3146 29.802 90.560 37.914 1.00 0.00 WT1 H ATOM 11719 OH2 TIP3 3147 88.281 34.216 8.215 1.00 0.00 WT1 O ATOM 11720 H1 TIP3 3147 87.472 33.802 7.913 1.00 0.00 WT1 H ATOM 11721 H2 TIP3 3147 88.630 33.612 8.870 1.00 0.00 WT1 H ATOM 11722 OH2 TIP3 3148 67.620 49.694 40.284 1.00 0.00 WT1 O ATOM 11723 H1 TIP3 3148 67.335 50.601 40.175 1.00 0.00 WT1 H ATOM 11724 H2 TIP3 3148 66.921 49.174 39.888 1.00 0.00 WT1 H ATOM 11725 OH2 TIP3 3149 59.737 27.082 -19.050 1.00 0.00 WT1 O ATOM 11726 H1 TIP3 3149 59.462 26.519 -19.773 1.00 0.00 WT1 H ATOM 11727 H2 TIP3 3149 58.981 27.644 -18.882 1.00 0.00 WT1 H ATOM 11728 OH2 TIP3 3150 83.426 3.673 46.592 1.00 0.00 WT1 O ATOM 11729 H1 TIP3 3150 82.623 4.049 46.231 1.00 0.00 WT1 H ATOM 11730 H2 TIP3 3150 84.126 4.036 46.049 1.00 0.00 WT1 H ATOM 11731 OH2 TIP3 3152 60.901 11.649 38.237 1.00 0.00 WT1 O ATOM 11732 H1 TIP3 3152 60.329 11.363 37.525 1.00 0.00 WT1 H ATOM 11733 H2 TIP3 3152 61.584 12.161 37.805 1.00 0.00 WT1 H ATOM 11734 OH2 TIP3 3153 46.412 50.312 2.784 1.00 0.00 WT1 O ATOM 11735 H1 TIP3 3153 47.282 50.665 2.970 1.00 0.00 WT1 H ATOM 11736 H2 TIP3 3153 45.868 50.619 3.510 1.00 0.00 WT1 H ATOM 11737 OH2 TIP3 3154 44.399 96.036 -19.646 1.00 0.00 WT1 O ATOM 11738 H1 TIP3 3154 44.564 95.869 -18.718 1.00 0.00 WT1 H ATOM 11739 H2 TIP3 3154 44.867 96.851 -19.829 1.00 0.00 WT1 H ATOM 11740 OH2 TIP3 3155 64.358 34.670 9.147 1.00 0.00 WT1 O ATOM 11741 H1 TIP3 3155 63.458 34.486 8.878 1.00 0.00 WT1 H ATOM 11742 H2 TIP3 3155 64.309 35.517 9.590 1.00 0.00 WT1 H ATOM 11743 OH2 TIP3 3157 88.210 43.577 -15.574 1.00 0.00 WT1 O ATOM 11744 H1 TIP3 3157 87.544 43.009 -15.186 1.00 0.00 WT1 H ATOM 11745 H2 TIP3 3157 88.064 43.508 -16.517 1.00 0.00 WT1 H ATOM 11746 OH2 TIP3 3158 79.338 24.672 34.831 1.00 0.00 WT1 O ATOM 11747 H1 TIP3 3158 80.022 24.383 35.436 1.00 0.00 WT1 H ATOM 11748 H2 TIP3 3158 79.812 24.947 34.047 1.00 0.00 WT1 H ATOM 11749 OH2 TIP3 3159 73.235 0.387 36.618 1.00 0.00 WT1 O ATOM 11750 H1 TIP3 3159 73.224 0.172 37.551 1.00 0.00 WT1 H ATOM 11751 H2 TIP3 3159 72.419 0.867 36.473 1.00 0.00 WT1 H ATOM 11752 OH2 TIP3 3160 71.394 35.440 2.346 1.00 0.00 WT1 O ATOM 11753 H1 TIP3 3160 70.559 35.658 1.930 1.00 0.00 WT1 H ATOM 11754 H2 TIP3 3160 71.233 35.557 3.282 1.00 0.00 WT1 H ATOM 11755 OH2 TIP3 3161 74.042 25.602 16.328 1.00 0.00 WT1 O ATOM 11756 H1 TIP3 3161 73.527 26.013 17.022 1.00 0.00 WT1 H ATOM 11757 H2 TIP3 3161 73.988 24.664 16.512 1.00 0.00 WT1 H ATOM 11758 OH2 TIP3 3163 28.246 14.089 -9.566 1.00 0.00 WT1 O ATOM 11759 H1 TIP3 3163 27.482 13.607 -9.248 1.00 0.00 WT1 H ATOM 11760 H2 TIP3 3163 28.280 13.892 -10.503 1.00 0.00 WT1 H ATOM 11761 OH2 TIP3 3164 26.796 15.306 -17.781 1.00 0.00 WT1 O ATOM 11762 H1 TIP3 3164 26.428 14.850 -18.539 1.00 0.00 WT1 H ATOM 11763 H2 TIP3 3164 26.247 15.031 -17.047 1.00 0.00 WT1 H ATOM 11764 OH2 TIP3 3166 37.146 57.842 -8.990 1.00 0.00 WT1 O ATOM 11765 H1 TIP3 3166 36.953 57.595 -8.085 1.00 0.00 WT1 H ATOM 11766 H2 TIP3 3166 38.060 58.125 -8.971 1.00 0.00 WT1 H ATOM 11767 OH2 TIP3 3167 32.673 53.318 25.258 1.00 0.00 WT1 O ATOM 11768 H1 TIP3 3167 32.849 53.668 24.385 1.00 0.00 WT1 H ATOM 11769 H2 TIP3 3167 33.495 53.434 25.734 1.00 0.00 WT1 H ATOM 11770 OH2 TIP3 3168 23.909 77.988 -8.732 1.00 0.00 WT1 O ATOM 11771 H1 TIP3 3168 24.750 78.252 -8.359 1.00 0.00 WT1 H ATOM 11772 H2 TIP3 3168 23.290 78.646 -8.417 1.00 0.00 WT1 H ATOM 11773 OH2 TIP3 3169 28.866 2.287 64.597 1.00 0.00 WT1 O ATOM 11774 H1 TIP3 3169 28.815 2.707 65.456 1.00 0.00 WT1 H ATOM 11775 H2 TIP3 3169 29.739 1.894 64.573 1.00 0.00 WT1 H ATOM 11776 OH2 TIP3 3171 86.774 34.707 43.287 1.00 0.00 WT1 O ATOM 11777 H1 TIP3 3171 86.716 34.297 42.424 1.00 0.00 WT1 H ATOM 11778 H2 TIP3 3171 87.680 35.008 43.349 1.00 0.00 WT1 H ATOM 11779 OH2 TIP3 3173 56.838 93.417 58.018 1.00 0.00 WT1 O ATOM 11780 H1 TIP3 3173 57.714 93.787 57.905 1.00 0.00 WT1 H ATOM 11781 H2 TIP3 3173 56.613 93.066 57.156 1.00 0.00 WT1 H ATOM 11782 OH2 TIP3 3174 69.335 27.262 3.893 1.00 0.00 WT1 O ATOM 11783 H1 TIP3 3174 69.617 27.951 3.292 1.00 0.00 WT1 H ATOM 11784 H2 TIP3 3174 69.362 27.672 4.758 1.00 0.00 WT1 H ATOM 11785 OH2 TIP3 3175 76.204 41.720 27.963 1.00 0.00 WT1 O ATOM 11786 H1 TIP3 3175 75.479 41.969 27.389 1.00 0.00 WT1 H ATOM 11787 H2 TIP3 3175 76.036 40.803 28.178 1.00 0.00 WT1 H ATOM 11788 OH2 TIP3 3176 20.141 26.532 -8.446 1.00 0.00 WT1 O ATOM 11789 H1 TIP3 3176 20.312 27.358 -7.994 1.00 0.00 WT1 H ATOM 11790 H2 TIP3 3176 20.671 26.580 -9.241 1.00 0.00 WT1 H ATOM 11791 OH2 TIP3 3177 83.505 81.653 41.820 1.00 0.00 WT1 O ATOM 11792 H1 TIP3 3177 82.798 81.502 41.193 1.00 0.00 WT1 H ATOM 11793 H2 TIP3 3177 83.268 81.121 42.580 1.00 0.00 WT1 H ATOM 11794 OH2 TIP3 3179 46.867 0.835 31.869 1.00 0.00 WT1 O ATOM 11795 H1 TIP3 3179 47.635 0.531 31.386 1.00 0.00 WT1 H ATOM 11796 H2 TIP3 3179 46.967 0.455 32.742 1.00 0.00 WT1 H ATOM 11797 OH2 TIP3 3180 51.934 31.179 -7.138 1.00 0.00 WT1 O ATOM 11798 H1 TIP3 3180 51.602 30.737 -6.357 1.00 0.00 WT1 H ATOM 11799 H2 TIP3 3180 51.869 32.111 -6.932 1.00 0.00 WT1 H ATOM 11800 OH2 TIP3 3181 74.609 61.309 60.289 1.00 0.00 WT1 O ATOM 11801 H1 TIP3 3181 74.137 60.543 59.964 1.00 0.00 WT1 H ATOM 11802 H2 TIP3 3181 74.841 61.800 59.501 1.00 0.00 WT1 H ATOM 11803 OH2 TIP3 3183 69.591 35.539 -18.301 1.00 0.00 WT1 O ATOM 11804 H1 TIP3 3183 68.840 36.133 -18.267 1.00 0.00 WT1 H ATOM 11805 H2 TIP3 3183 69.312 34.771 -17.803 1.00 0.00 WT1 H ATOM 11806 OH2 TIP3 3184 52.344 61.539 7.025 1.00 0.00 WT1 O ATOM 11807 H1 TIP3 3184 52.514 61.792 6.118 1.00 0.00 WT1 H ATOM 11808 H2 TIP3 3184 52.733 62.240 7.548 1.00 0.00 WT1 H ATOM 11809 OH2 TIP3 3186 42.581 10.566 -17.394 1.00 0.00 WT1 O ATOM 11810 H1 TIP3 3186 43.152 10.485 -18.158 1.00 0.00 WT1 H ATOM 11811 H2 TIP3 3186 41.707 10.361 -17.726 1.00 0.00 WT1 H ATOM 11812 OH2 TIP3 3187 55.542 7.269 20.945 1.00 0.00 WT1 O ATOM 11813 H1 TIP3 3187 55.409 7.159 20.003 1.00 0.00 WT1 H ATOM 11814 H2 TIP3 3187 56.028 8.090 21.024 1.00 0.00 WT1 H ATOM 11815 OH2 TIP3 3188 33.601 27.625 30.388 1.00 0.00 WT1 O ATOM 11816 H1 TIP3 3188 34.508 27.442 30.142 1.00 0.00 WT1 H ATOM 11817 H2 TIP3 3188 33.463 28.537 30.134 1.00 0.00 WT1 H ATOM 11818 OH2 TIP3 3189 89.008 24.346 2.575 1.00 0.00 WT1 O ATOM 11819 H1 TIP3 3189 89.333 25.093 3.076 1.00 0.00 WT1 H ATOM 11820 H2 TIP3 3189 89.759 23.755 2.512 1.00 0.00 WT1 H ATOM 11821 OH2 TIP3 3190 89.017 0.944 51.601 1.00 0.00 WT1 O ATOM 11822 H1 TIP3 3190 88.387 1.645 51.434 1.00 0.00 WT1 H ATOM 11823 H2 TIP3 3190 88.754 0.582 52.448 1.00 0.00 WT1 H ATOM 11824 OH2 TIP3 3191 73.647 44.007 10.220 1.00 0.00 WT1 O ATOM 11825 H1 TIP3 3191 72.836 44.060 10.727 1.00 0.00 WT1 H ATOM 11826 H2 TIP3 3191 74.130 44.799 10.456 1.00 0.00 WT1 H ATOM 11827 OH2 TIP3 3192 51.107 5.350 -17.942 1.00 0.00 WT1 O ATOM 11828 H1 TIP3 3192 51.218 4.533 -18.429 1.00 0.00 WT1 H ATOM 11829 H2 TIP3 3192 51.077 5.081 -17.024 1.00 0.00 WT1 H ATOM 11830 OH2 TIP3 3193 84.381 13.977 -14.054 1.00 0.00 WT1 O ATOM 11831 H1 TIP3 3193 83.887 13.952 -14.874 1.00 0.00 WT1 H ATOM 11832 H2 TIP3 3193 83.751 14.291 -13.405 1.00 0.00 WT1 H ATOM 11833 OH2 TIP3 3194 73.537 32.362 -1.748 1.00 0.00 WT1 O ATOM 11834 H1 TIP3 3194 73.988 32.571 -0.930 1.00 0.00 WT1 H ATOM 11835 H2 TIP3 3194 73.065 31.550 -1.561 1.00 0.00 WT1 H ATOM 11836 OH2 TIP3 3195 26.121 93.706 14.763 1.00 0.00 WT1 O ATOM 11837 H1 TIP3 3195 26.490 94.581 14.646 1.00 0.00 WT1 H ATOM 11838 H2 TIP3 3195 25.962 93.637 15.705 1.00 0.00 WT1 H ATOM 11839 OH2 TIP3 3196 60.896 23.767 32.101 1.00 0.00 WT1 O ATOM 11840 H1 TIP3 3196 61.217 23.561 32.979 1.00 0.00 WT1 H ATOM 11841 H2 TIP3 3196 61.631 24.208 31.674 1.00 0.00 WT1 H ATOM 11842 OH2 TIP3 3197 55.386 26.971 14.028 1.00 0.00 WT1 O ATOM 11843 H1 TIP3 3197 54.946 27.771 14.316 1.00 0.00 WT1 H ATOM 11844 H2 TIP3 3197 54.963 26.272 14.526 1.00 0.00 WT1 H ATOM 11845 OH2 TIP3 3198 64.078 12.702 39.994 1.00 0.00 WT1 O ATOM 11846 H1 TIP3 3198 63.145 12.787 40.188 1.00 0.00 WT1 H ATOM 11847 H2 TIP3 3198 64.429 13.585 40.109 1.00 0.00 WT1 H ATOM 11848 OH2 TIP3 3199 62.974 28.630 63.798 1.00 0.00 WT1 O ATOM 11849 H1 TIP3 3199 62.278 29.276 63.681 1.00 0.00 WT1 H ATOM 11850 H2 TIP3 3199 63.725 28.998 63.331 1.00 0.00 WT1 H ATOM 11851 OH2 TIP3 3200 66.251 24.938 36.167 1.00 0.00 WT1 O ATOM 11852 H1 TIP3 3200 67.019 25.299 35.724 1.00 0.00 WT1 H ATOM 11853 H2 TIP3 3200 66.578 24.653 37.020 1.00 0.00 WT1 H ATOM 11854 OH2 TIP3 3202 49.133 0.977 -13.702 1.00 0.00 WT1 O ATOM 11855 H1 TIP3 3202 49.417 1.670 -13.106 1.00 0.00 WT1 H ATOM 11856 H2 TIP3 3202 48.831 0.275 -13.126 1.00 0.00 WT1 H ATOM 11857 OH2 TIP3 3206 77.934 18.848 -13.575 1.00 0.00 WT1 O ATOM 11858 H1 TIP3 3206 77.212 18.482 -14.086 1.00 0.00 WT1 H ATOM 11859 H2 TIP3 3206 77.535 19.553 -13.066 1.00 0.00 WT1 H ATOM 11860 OH2 TIP3 3207 73.646 58.542 -13.202 1.00 0.00 WT1 O ATOM 11861 H1 TIP3 3207 74.303 58.989 -13.735 1.00 0.00 WT1 H ATOM 11862 H2 TIP3 3207 73.476 59.144 -12.476 1.00 0.00 WT1 H ATOM 11863 OH2 TIP3 3208 50.621 44.787 57.887 1.00 0.00 WT1 O ATOM 11864 H1 TIP3 3208 50.075 45.501 57.558 1.00 0.00 WT1 H ATOM 11865 H2 TIP3 3208 51.448 44.879 57.416 1.00 0.00 WT1 H ATOM 11866 OH2 TIP3 3209 60.948 96.466 24.631 1.00 0.00 WT1 O ATOM 11867 H1 TIP3 3209 60.396 96.290 23.869 1.00 0.00 WT1 H ATOM 11868 H2 TIP3 3209 61.315 95.613 24.864 1.00 0.00 WT1 H ATOM 11869 OH2 TIP3 3210 80.484 74.316 47.168 1.00 0.00 WT1 O ATOM 11870 H1 TIP3 3210 80.567 73.368 47.071 1.00 0.00 WT1 H ATOM 11871 H2 TIP3 3210 79.925 74.431 47.937 1.00 0.00 WT1 H ATOM 11872 OH2 TIP3 3211 41.703 63.584 46.623 1.00 0.00 WT1 O ATOM 11873 H1 TIP3 3211 41.481 64.315 46.045 1.00 0.00 WT1 H ATOM 11874 H2 TIP3 3211 42.659 63.535 46.590 1.00 0.00 WT1 H ATOM 11875 OH2 TIP3 3212 26.114 80.540 66.672 1.00 0.00 WT1 O ATOM 11876 H1 TIP3 3212 26.795 79.932 66.958 1.00 0.00 WT1 H ATOM 11877 H2 TIP3 3212 26.292 80.680 65.742 1.00 0.00 WT1 H ATOM 11878 OH2 TIP3 3213 28.583 75.162 57.806 1.00 0.00 WT1 O ATOM 11879 H1 TIP3 3213 28.521 74.216 57.673 1.00 0.00 WT1 H ATOM 11880 H2 TIP3 3213 29.452 75.295 58.185 1.00 0.00 WT1 H ATOM 11881 OH2 TIP3 3214 58.943 89.986 -1.484 1.00 0.00 WT1 O ATOM 11882 H1 TIP3 3214 59.050 89.213 -0.930 1.00 0.00 WT1 H ATOM 11883 H2 TIP3 3214 58.201 89.775 -2.051 1.00 0.00 WT1 H ATOM 11884 OH2 TIP3 3215 26.919 8.649 -0.568 1.00 0.00 WT1 O ATOM 11885 H1 TIP3 3215 27.513 9.324 -0.896 1.00 0.00 WT1 H ATOM 11886 H2 TIP3 3215 26.050 8.938 -0.846 1.00 0.00 WT1 H ATOM 11887 OH2 TIP3 3216 35.227 27.718 63.373 1.00 0.00 WT1 O ATOM 11888 H1 TIP3 3216 34.351 27.335 63.333 1.00 0.00 WT1 H ATOM 11889 H2 TIP3 3216 35.580 27.426 64.213 1.00 0.00 WT1 H ATOM 11890 OH2 TIP3 3217 21.821 61.768 44.868 1.00 0.00 WT1 O ATOM 11891 H1 TIP3 3217 21.472 61.443 44.039 1.00 0.00 WT1 H ATOM 11892 H2 TIP3 3217 22.696 61.383 44.928 1.00 0.00 WT1 H ATOM 11893 OH2 TIP3 3218 30.557 27.270 -15.328 1.00 0.00 WT1 O ATOM 11894 H1 TIP3 3218 30.898 27.062 -16.198 1.00 0.00 WT1 H ATOM 11895 H2 TIP3 3218 30.854 26.548 -14.774 1.00 0.00 WT1 H ATOM 11896 OH2 TIP3 3219 44.196 42.348 -7.678 1.00 0.00 WT1 O ATOM 11897 H1 TIP3 3219 44.806 42.181 -6.960 1.00 0.00 WT1 H ATOM 11898 H2 TIP3 3219 43.481 41.728 -7.535 1.00 0.00 WT1 H ATOM 11899 OH2 TIP3 3220 82.584 90.900 -1.761 1.00 0.00 WT1 O ATOM 11900 H1 TIP3 3220 83.210 91.100 -2.457 1.00 0.00 WT1 H ATOM 11901 H2 TIP3 3220 81.896 90.395 -2.195 1.00 0.00 WT1 H ATOM 11902 OH2 TIP3 3223 81.003 15.463 39.856 1.00 0.00 WT1 O ATOM 11903 H1 TIP3 3223 81.773 15.494 39.288 1.00 0.00 WT1 H ATOM 11904 H2 TIP3 3223 81.063 16.260 40.384 1.00 0.00 WT1 H ATOM 11905 OH2 TIP3 3225 55.143 26.342 64.459 1.00 0.00 WT1 O ATOM 11906 H1 TIP3 3225 55.261 25.405 64.306 1.00 0.00 WT1 H ATOM 11907 H2 TIP3 3225 54.196 26.455 64.543 1.00 0.00 WT1 H ATOM 11908 OH2 TIP3 3226 80.903 14.182 -9.443 1.00 0.00 WT1 O ATOM 11909 H1 TIP3 3226 80.755 13.241 -9.536 1.00 0.00 WT1 H ATOM 11910 H2 TIP3 3226 81.365 14.433 -10.243 1.00 0.00 WT1 H ATOM 11911 OH2 TIP3 3227 46.716 9.227 -11.423 1.00 0.00 WT1 O ATOM 11912 H1 TIP3 3227 45.860 8.884 -11.166 1.00 0.00 WT1 H ATOM 11913 H2 TIP3 3227 46.599 10.177 -11.437 1.00 0.00 WT1 H ATOM 11914 OH2 TIP3 3228 38.581 91.978 16.160 1.00 0.00 WT1 O ATOM 11915 H1 TIP3 3228 38.644 92.777 16.682 1.00 0.00 WT1 H ATOM 11916 H2 TIP3 3228 39.465 91.844 15.819 1.00 0.00 WT1 H ATOM 11917 OH2 TIP3 3230 89.090 89.831 41.388 1.00 0.00 WT1 O ATOM 11918 H1 TIP3 3230 89.092 89.031 40.862 1.00 0.00 WT1 H ATOM 11919 H2 TIP3 3230 88.284 89.777 41.902 1.00 0.00 WT1 H ATOM 11920 OH2 TIP3 3231 76.661 6.268 62.922 1.00 0.00 WT1 O ATOM 11921 H1 TIP3 3231 76.070 6.143 62.180 1.00 0.00 WT1 H ATOM 11922 H2 TIP3 3231 76.878 7.201 62.902 1.00 0.00 WT1 H ATOM 11923 OH2 TIP3 3232 41.807 82.256 27.816 1.00 0.00 WT1 O ATOM 11924 H1 TIP3 3232 42.234 81.464 27.490 1.00 0.00 WT1 H ATOM 11925 H2 TIP3 3232 41.920 82.897 27.114 1.00 0.00 WT1 H ATOM 11926 OH2 TIP3 3233 49.622 39.440 -12.465 1.00 0.00 WT1 O ATOM 11927 H1 TIP3 3233 48.951 38.942 -11.999 1.00 0.00 WT1 H ATOM 11928 H2 TIP3 3233 49.269 40.328 -12.518 1.00 0.00 WT1 H ATOM 11929 OH2 TIP3 3234 60.486 57.952 -11.804 1.00 0.00 WT1 O ATOM 11930 H1 TIP3 3234 59.541 58.070 -11.708 1.00 0.00 WT1 H ATOM 11931 H2 TIP3 3234 60.576 57.141 -12.304 1.00 0.00 WT1 H ATOM 11932 OH2 TIP3 3235 83.513 46.319 48.938 1.00 0.00 WT1 O ATOM 11933 H1 TIP3 3235 83.064 47.102 49.259 1.00 0.00 WT1 H ATOM 11934 H2 TIP3 3235 82.885 45.910 48.343 1.00 0.00 WT1 H ATOM 11935 OH2 TIP3 3236 58.875 25.061 -15.505 1.00 0.00 WT1 O ATOM 11936 H1 TIP3 3236 59.075 25.864 -15.023 1.00 0.00 WT1 H ATOM 11937 H2 TIP3 3236 58.114 25.286 -16.039 1.00 0.00 WT1 H ATOM 11938 OH2 TIP3 3237 38.218 83.039 42.055 1.00 0.00 WT1 O ATOM 11939 H1 TIP3 3237 38.313 83.307 41.140 1.00 0.00 WT1 H ATOM 11940 H2 TIP3 3237 37.276 83.082 42.221 1.00 0.00 WT1 H ATOM 11941 OH2 TIP3 3238 28.946 5.506 -3.233 1.00 0.00 WT1 O ATOM 11942 H1 TIP3 3238 28.871 4.582 -3.473 1.00 0.00 WT1 H ATOM 11943 H2 TIP3 3238 29.173 5.949 -4.051 1.00 0.00 WT1 H ATOM 11944 OH2 TIP3 3239 86.349 16.277 8.358 1.00 0.00 WT1 O ATOM 11945 H1 TIP3 3239 87.170 16.367 8.842 1.00 0.00 WT1 H ATOM 11946 H2 TIP3 3239 85.952 17.147 8.394 1.00 0.00 WT1 H ATOM 11947 OH2 TIP3 3240 63.422 59.275 34.187 1.00 0.00 WT1 O ATOM 11948 H1 TIP3 3240 62.781 59.651 33.584 1.00 0.00 WT1 H ATOM 11949 H2 TIP3 3240 64.245 59.287 33.699 1.00 0.00 WT1 H ATOM 11950 OH2 TIP3 3241 25.480 60.023 8.579 1.00 0.00 WT1 O ATOM 11951 H1 TIP3 3241 25.329 60.501 9.395 1.00 0.00 WT1 H ATOM 11952 H2 TIP3 3241 26.360 60.284 8.307 1.00 0.00 WT1 H ATOM 11953 OH2 TIP3 3242 84.698 71.835 15.944 1.00 0.00 WT1 O ATOM 11954 H1 TIP3 3242 84.088 72.377 16.444 1.00 0.00 WT1 H ATOM 11955 H2 TIP3 3242 84.390 70.939 16.081 1.00 0.00 WT1 H ATOM 11956 OH2 TIP3 3243 70.811 86.796 32.864 1.00 0.00 WT1 O ATOM 11957 H1 TIP3 3243 70.839 85.845 32.762 1.00 0.00 WT1 H ATOM 11958 H2 TIP3 3243 70.194 86.942 33.582 1.00 0.00 WT1 H ATOM 11959 OH2 TIP3 3244 56.918 2.784 -5.122 1.00 0.00 WT1 O ATOM 11960 H1 TIP3 3244 56.133 3.319 -5.238 1.00 0.00 WT1 H ATOM 11961 H2 TIP3 3244 56.947 2.600 -4.183 1.00 0.00 WT1 H ATOM 11962 OH2 TIP3 3245 83.745 8.062 8.398 1.00 0.00 WT1 O ATOM 11963 H1 TIP3 3245 82.854 7.716 8.351 1.00 0.00 WT1 H ATOM 11964 H2 TIP3 3245 83.955 8.061 9.332 1.00 0.00 WT1 H ATOM 11965 OH2 TIP3 3246 40.729 10.917 23.411 1.00 0.00 WT1 O ATOM 11966 H1 TIP3 3246 40.360 11.799 23.451 1.00 0.00 WT1 H ATOM 11967 H2 TIP3 3246 41.425 10.978 22.757 1.00 0.00 WT1 H ATOM 11968 OH2 TIP3 3247 79.947 86.320 -0.488 1.00 0.00 WT1 O ATOM 11969 H1 TIP3 3247 79.290 86.702 -1.070 1.00 0.00 WT1 H ATOM 11970 H2 TIP3 3247 80.699 86.909 -0.557 1.00 0.00 WT1 H ATOM 11971 OH2 TIP3 3249 54.449 1.197 -12.521 1.00 0.00 WT1 O ATOM 11972 H1 TIP3 3249 54.336 0.347 -12.946 1.00 0.00 WT1 H ATOM 11973 H2 TIP3 3249 55.390 1.263 -12.362 1.00 0.00 WT1 H ATOM 11974 OH2 TIP3 3250 68.206 72.776 36.908 1.00 0.00 WT1 O ATOM 11975 H1 TIP3 3250 68.219 73.274 37.725 1.00 0.00 WT1 H ATOM 11976 H2 TIP3 3250 67.415 72.241 36.966 1.00 0.00 WT1 H ATOM 11977 OH2 TIP3 3251 62.380 44.278 -18.245 1.00 0.00 WT1 O ATOM 11978 H1 TIP3 3251 63.312 44.427 -18.400 1.00 0.00 WT1 H ATOM 11979 H2 TIP3 3251 62.069 45.094 -17.851 1.00 0.00 WT1 H ATOM 11980 OH2 TIP3 3252 36.389 2.730 58.563 1.00 0.00 WT1 O ATOM 11981 H1 TIP3 3252 36.179 3.075 59.430 1.00 0.00 WT1 H ATOM 11982 H2 TIP3 3252 35.556 2.740 58.092 1.00 0.00 WT1 H ATOM 11983 OH2 TIP3 3253 24.324 91.979 -6.853 1.00 0.00 WT1 O ATOM 11984 H1 TIP3 3253 25.014 92.028 -6.191 1.00 0.00 WT1 H ATOM 11985 H2 TIP3 3253 23.519 91.854 -6.351 1.00 0.00 WT1 H ATOM 11986 OH2 TIP3 3254 32.939 83.030 65.918 1.00 0.00 WT1 O ATOM 11987 H1 TIP3 3254 32.564 82.213 66.247 1.00 0.00 WT1 H ATOM 11988 H2 TIP3 3254 33.514 83.331 66.621 1.00 0.00 WT1 H ATOM 11989 OH2 TIP3 3255 69.811 6.804 67.006 1.00 0.00 WT1 O ATOM 11990 H1 TIP3 3255 69.333 5.981 66.907 1.00 0.00 WT1 H ATOM 11991 H2 TIP3 3255 70.672 6.629 66.626 1.00 0.00 WT1 H ATOM 11992 OH2 TIP3 3256 24.914 48.747 54.595 1.00 0.00 WT1 O ATOM 11993 H1 TIP3 3256 24.060 48.427 54.884 1.00 0.00 WT1 H ATOM 11994 H2 TIP3 3256 24.852 49.699 54.670 1.00 0.00 WT1 H ATOM 11995 OH2 TIP3 3257 65.419 55.069 54.490 1.00 0.00 WT1 O ATOM 11996 H1 TIP3 3257 64.623 54.565 54.319 1.00 0.00 WT1 H ATOM 11997 H2 TIP3 3257 65.985 54.883 53.741 1.00 0.00 WT1 H ATOM 11998 OH2 TIP3 3258 73.368 51.179 65.329 1.00 0.00 WT1 O ATOM 11999 H1 TIP3 3258 73.517 51.987 65.820 1.00 0.00 WT1 H ATOM 12000 H2 TIP3 3258 72.797 51.439 64.606 1.00 0.00 WT1 H ATOM 12001 OH2 TIP3 3259 62.410 7.846 49.883 1.00 0.00 WT1 O ATOM 12002 H1 TIP3 3259 61.470 7.705 49.998 1.00 0.00 WT1 H ATOM 12003 H2 TIP3 3259 62.523 7.943 48.937 1.00 0.00 WT1 H ATOM 12004 OH2 TIP3 3260 40.137 14.355 44.796 1.00 0.00 WT1 O ATOM 12005 H1 TIP3 3260 39.698 14.943 44.182 1.00 0.00 WT1 H ATOM 12006 H2 TIP3 3260 39.968 13.478 44.451 1.00 0.00 WT1 H ATOM 12007 OH2 TIP3 3262 68.319 93.167 2.954 1.00 0.00 WT1 O ATOM 12008 H1 TIP3 3262 69.189 93.496 2.730 1.00 0.00 WT1 H ATOM 12009 H2 TIP3 3262 67.773 93.401 2.203 1.00 0.00 WT1 H ATOM 12010 OH2 TIP3 3263 43.763 75.384 52.669 1.00 0.00 WT1 O ATOM 12011 H1 TIP3 3263 44.587 75.833 52.483 1.00 0.00 WT1 H ATOM 12012 H2 TIP3 3263 43.166 75.685 51.984 1.00 0.00 WT1 H ATOM 12013 OH2 TIP3 3264 33.788 66.331 14.318 1.00 0.00 WT1 O ATOM 12014 H1 TIP3 3264 34.061 66.120 15.211 1.00 0.00 WT1 H ATOM 12015 H2 TIP3 3264 34.459 66.934 13.998 1.00 0.00 WT1 H ATOM 12016 OH2 TIP3 3265 53.072 66.662 10.881 1.00 0.00 WT1 O ATOM 12017 H1 TIP3 3265 53.639 66.194 10.268 1.00 0.00 WT1 H ATOM 12018 H2 TIP3 3265 53.674 67.061 11.509 1.00 0.00 WT1 H ATOM 12019 OH2 TIP3 3266 84.899 2.610 4.259 1.00 0.00 WT1 O ATOM 12020 H1 TIP3 3266 85.339 3.144 4.920 1.00 0.00 WT1 H ATOM 12021 H2 TIP3 3266 85.275 1.736 4.367 1.00 0.00 WT1 H ATOM 12022 OH2 TIP3 3268 63.726 95.119 8.299 1.00 0.00 WT1 O ATOM 12023 H1 TIP3 3268 64.307 94.892 9.026 1.00 0.00 WT1 H ATOM 12024 H2 TIP3 3268 64.241 95.718 7.758 1.00 0.00 WT1 H ATOM 12025 OH2 TIP3 3269 27.649 92.682 39.862 1.00 0.00 WT1 O ATOM 12026 H1 TIP3 3269 26.711 92.577 40.016 1.00 0.00 WT1 H ATOM 12027 H2 TIP3 3269 28.023 92.808 40.734 1.00 0.00 WT1 H ATOM 12028 OH2 TIP3 3270 38.901 33.397 36.934 1.00 0.00 WT1 O ATOM 12029 H1 TIP3 3270 39.658 33.934 36.701 1.00 0.00 WT1 H ATOM 12030 H2 TIP3 3270 38.171 33.790 36.456 1.00 0.00 WT1 H ATOM 12031 OH2 TIP3 3271 59.271 81.399 4.623 1.00 0.00 WT1 O ATOM 12032 H1 TIP3 3271 58.338 81.561 4.481 1.00 0.00 WT1 H ATOM 12033 H2 TIP3 3271 59.366 80.451 4.541 1.00 0.00 WT1 H ATOM 12034 OH2 TIP3 3274 81.413 18.720 -12.944 1.00 0.00 WT1 O ATOM 12035 H1 TIP3 3274 82.261 18.944 -12.559 1.00 0.00 WT1 H ATOM 12036 H2 TIP3 3274 81.173 17.891 -12.530 1.00 0.00 WT1 H ATOM 12037 OH2 TIP3 3276 70.506 49.470 -16.062 1.00 0.00 WT1 O ATOM 12038 H1 TIP3 3276 69.651 49.083 -16.250 1.00 0.00 WT1 H ATOM 12039 H2 TIP3 3276 70.763 49.089 -15.223 1.00 0.00 WT1 H ATOM 12040 OH2 TIP3 3277 49.319 57.975 63.576 1.00 0.00 WT1 O ATOM 12041 H1 TIP3 3277 48.619 57.456 63.180 1.00 0.00 WT1 H ATOM 12042 H2 TIP3 3277 49.558 58.610 62.900 1.00 0.00 WT1 H ATOM 12043 OH2 TIP3 3278 23.620 85.800 25.808 1.00 0.00 WT1 O ATOM 12044 H1 TIP3 3278 24.216 85.881 26.552 1.00 0.00 WT1 H ATOM 12045 H2 TIP3 3278 23.346 84.883 25.819 1.00 0.00 WT1 H ATOM 12046 OH2 TIP3 3279 46.423 27.327 47.732 1.00 0.00 WT1 O ATOM 12047 H1 TIP3 3279 46.652 28.086 48.269 1.00 0.00 WT1 H ATOM 12048 H2 TIP3 3279 46.893 27.464 46.910 1.00 0.00 WT1 H ATOM 12049 OH2 TIP3 3280 60.370 1.504 10.373 1.00 0.00 WT1 O ATOM 12050 H1 TIP3 3280 60.198 0.593 10.134 1.00 0.00 WT1 H ATOM 12051 H2 TIP3 3280 61.143 1.462 10.935 1.00 0.00 WT1 H ATOM 12052 OH2 TIP3 3281 83.211 91.548 46.165 1.00 0.00 WT1 O ATOM 12053 H1 TIP3 3281 83.070 92.409 45.772 1.00 0.00 WT1 H ATOM 12054 H2 TIP3 3281 82.334 91.171 46.238 1.00 0.00 WT1 H ATOM 12055 OH2 TIP3 3282 23.062 1.403 43.169 1.00 0.00 WT1 O ATOM 12056 H1 TIP3 3282 23.138 2.014 43.902 1.00 0.00 WT1 H ATOM 12057 H2 TIP3 3282 23.953 1.326 42.828 1.00 0.00 WT1 H ATOM 12058 OH2 TIP3 3283 62.698 42.828 11.473 1.00 0.00 WT1 O ATOM 12059 H1 TIP3 3283 62.125 42.333 12.059 1.00 0.00 WT1 H ATOM 12060 H2 TIP3 3283 62.572 43.741 11.729 1.00 0.00 WT1 H ATOM 12061 OH2 TIP3 3284 37.278 17.503 12.287 1.00 0.00 WT1 O ATOM 12062 H1 TIP3 3284 37.492 16.835 11.636 1.00 0.00 WT1 H ATOM 12063 H2 TIP3 3284 38.058 17.560 12.838 1.00 0.00 WT1 H ATOM 12064 OH2 TIP3 3285 33.978 43.958 39.194 1.00 0.00 WT1 O ATOM 12065 H1 TIP3 3285 34.000 43.907 40.149 1.00 0.00 WT1 H ATOM 12066 H2 TIP3 3285 34.898 43.993 38.934 1.00 0.00 WT1 H ATOM 12067 OH2 TIP3 3287 42.320 42.044 47.904 1.00 0.00 WT1 O ATOM 12068 H1 TIP3 3287 41.899 41.209 47.698 1.00 0.00 WT1 H ATOM 12069 H2 TIP3 3287 42.990 42.148 47.229 1.00 0.00 WT1 H ATOM 12070 OH2 TIP3 3289 57.652 64.751 37.828 1.00 0.00 WT1 O ATOM 12071 H1 TIP3 3289 57.631 65.437 37.161 1.00 0.00 WT1 H ATOM 12072 H2 TIP3 3289 57.297 63.978 37.390 1.00 0.00 WT1 H ATOM 12073 OH2 TIP3 3292 85.153 28.438 58.406 1.00 0.00 WT1 O ATOM 12074 H1 TIP3 3292 85.025 28.080 57.528 1.00 0.00 WT1 H ATOM 12075 H2 TIP3 3292 84.423 29.045 58.527 1.00 0.00 WT1 H ATOM 12076 OH2 TIP3 3294 89.295 38.548 10.107 1.00 0.00 WT1 O ATOM 12077 H1 TIP3 3294 89.654 39.295 9.629 1.00 0.00 WT1 H ATOM 12078 H2 TIP3 3294 89.912 37.836 9.939 1.00 0.00 WT1 H ATOM 12079 OH2 TIP3 3295 45.028 83.579 25.397 1.00 0.00 WT1 O ATOM 12080 H1 TIP3 3295 45.389 82.694 25.450 1.00 0.00 WT1 H ATOM 12081 H2 TIP3 3295 44.802 83.801 26.300 1.00 0.00 WT1 H ATOM 12082 OH2 TIP3 3296 56.726 12.497 -2.359 1.00 0.00 WT1 O ATOM 12083 H1 TIP3 3296 56.751 12.902 -1.492 1.00 0.00 WT1 H ATOM 12084 H2 TIP3 3296 56.802 11.558 -2.188 1.00 0.00 WT1 H ATOM 12085 OH2 TIP3 3297 88.460 85.158 -10.018 1.00 0.00 WT1 O ATOM 12086 H1 TIP3 3297 88.576 85.555 -10.881 1.00 0.00 WT1 H ATOM 12087 H2 TIP3 3297 88.756 84.255 -10.127 1.00 0.00 WT1 H ATOM 12088 OH2 TIP3 3298 40.746 56.536 55.967 1.00 0.00 WT1 O ATOM 12089 H1 TIP3 3298 41.153 55.748 56.327 1.00 0.00 WT1 H ATOM 12090 H2 TIP3 3298 39.891 56.242 55.652 1.00 0.00 WT1 H ATOM 12091 OH2 TIP3 3299 46.347 57.356 60.245 1.00 0.00 WT1 O ATOM 12092 H1 TIP3 3299 46.584 57.073 59.362 1.00 0.00 WT1 H ATOM 12093 H2 TIP3 3299 47.055 57.946 60.506 1.00 0.00 WT1 H ATOM 12094 OH2 TIP3 3300 49.430 25.684 55.689 1.00 0.00 WT1 O ATOM 12095 H1 TIP3 3300 50.219 25.153 55.793 1.00 0.00 WT1 H ATOM 12096 H2 TIP3 3300 49.394 25.881 54.753 1.00 0.00 WT1 H ATOM 12097 OH2 TIP3 3301 53.303 51.752 -9.129 1.00 0.00 WT1 O ATOM 12098 H1 TIP3 3301 52.718 51.835 -9.883 1.00 0.00 WT1 H ATOM 12099 H2 TIP3 3301 52.732 51.480 -8.411 1.00 0.00 WT1 H ATOM 12100 OH2 TIP3 3302 24.669 16.262 41.652 1.00 0.00 WT1 O ATOM 12101 H1 TIP3 3302 23.963 16.478 41.043 1.00 0.00 WT1 H ATOM 12102 H2 TIP3 3302 24.241 15.764 42.348 1.00 0.00 WT1 H ATOM 12103 OH2 TIP3 3303 20.545 64.510 -2.447 1.00 0.00 WT1 O ATOM 12104 H1 TIP3 3303 19.731 65.006 -2.536 1.00 0.00 WT1 H ATOM 12105 H2 TIP3 3303 20.838 64.366 -3.347 1.00 0.00 WT1 H ATOM 12106 OH2 TIP3 3304 36.588 7.630 -19.555 1.00 0.00 WT1 O ATOM 12107 H1 TIP3 3304 36.376 6.701 -19.645 1.00 0.00 WT1 H ATOM 12108 H2 TIP3 3304 37.405 7.642 -19.056 1.00 0.00 WT1 H ATOM 12109 OH2 TIP3 3305 79.124 20.110 50.777 1.00 0.00 WT1 O ATOM 12110 H1 TIP3 3305 78.936 20.755 50.095 1.00 0.00 WT1 H ATOM 12111 H2 TIP3 3305 78.418 19.468 50.701 1.00 0.00 WT1 H ATOM 12112 OH2 TIP3 3308 73.848 50.364 -10.040 1.00 0.00 WT1 O ATOM 12113 H1 TIP3 3308 73.925 51.317 -9.983 1.00 0.00 WT1 H ATOM 12114 H2 TIP3 3308 73.272 50.126 -9.314 1.00 0.00 WT1 H ATOM 12115 OH2 TIP3 3309 62.659 7.336 23.981 1.00 0.00 WT1 O ATOM 12116 H1 TIP3 3309 62.835 8.265 24.134 1.00 0.00 WT1 H ATOM 12117 H2 TIP3 3309 62.140 7.319 23.178 1.00 0.00 WT1 H ATOM 12118 OH2 TIP3 3310 85.019 16.854 -14.761 1.00 0.00 WT1 O ATOM 12119 H1 TIP3 3310 84.840 16.137 -14.153 1.00 0.00 WT1 H ATOM 12120 H2 TIP3 3310 85.094 17.629 -14.204 1.00 0.00 WT1 H ATOM 12121 OH2 TIP3 3313 49.310 40.189 39.763 1.00 0.00 WT1 O ATOM 12122 H1 TIP3 3313 48.629 40.778 40.090 1.00 0.00 WT1 H ATOM 12123 H2 TIP3 3313 49.530 40.533 38.898 1.00 0.00 WT1 H ATOM 12124 OH2 TIP3 3316 90.523 16.255 -9.431 1.00 0.00 WT1 O ATOM 12125 H1 TIP3 3316 91.198 16.934 -9.450 1.00 0.00 WT1 H ATOM 12126 H2 TIP3 3316 89.699 16.738 -9.380 1.00 0.00 WT1 H ATOM 12127 OH2 TIP3 3317 28.835 13.809 65.651 1.00 0.00 WT1 O ATOM 12128 H1 TIP3 3317 28.898 14.747 65.833 1.00 0.00 WT1 H ATOM 12129 H2 TIP3 3317 28.642 13.412 66.500 1.00 0.00 WT1 H ATOM 12130 OH2 TIP3 3319 50.808 34.364 3.946 1.00 0.00 WT1 O ATOM 12131 H1 TIP3 3319 50.800 34.034 4.845 1.00 0.00 WT1 H ATOM 12132 H2 TIP3 3319 51.671 34.124 3.610 1.00 0.00 WT1 H ATOM 12133 OH2 TIP3 3320 39.883 25.235 53.998 1.00 0.00 WT1 O ATOM 12134 H1 TIP3 3320 40.577 24.717 53.592 1.00 0.00 WT1 H ATOM 12135 H2 TIP3 3320 40.285 25.600 54.786 1.00 0.00 WT1 H ATOM 12136 OH2 TIP3 3321 42.568 30.646 -11.284 1.00 0.00 WT1 O ATOM 12137 H1 TIP3 3321 41.711 30.759 -10.874 1.00 0.00 WT1 H ATOM 12138 H2 TIP3 3321 42.892 29.814 -10.938 1.00 0.00 WT1 H ATOM 12139 OH2 TIP3 3322 64.054 76.780 43.844 1.00 0.00 WT1 O ATOM 12140 H1 TIP3 3322 63.662 76.058 43.353 1.00 0.00 WT1 H ATOM 12141 H2 TIP3 3322 64.963 76.514 43.978 1.00 0.00 WT1 H ATOM 12142 OH2 TIP3 3323 25.003 52.060 -11.295 1.00 0.00 WT1 O ATOM 12143 H1 TIP3 3323 25.115 51.849 -10.368 1.00 0.00 WT1 H ATOM 12144 H2 TIP3 3323 24.084 51.865 -11.477 1.00 0.00 WT1 H ATOM 12145 OH2 TIP3 3324 38.847 7.547 -17.630 1.00 0.00 WT1 O ATOM 12146 H1 TIP3 3324 39.212 7.339 -16.770 1.00 0.00 WT1 H ATOM 12147 H2 TIP3 3324 39.518 7.264 -18.250 1.00 0.00 WT1 H ATOM 12148 OH2 TIP3 3325 33.532 14.275 66.885 1.00 0.00 WT1 O ATOM 12149 H1 TIP3 3325 34.103 14.263 66.117 1.00 0.00 WT1 H ATOM 12150 H2 TIP3 3325 33.598 15.170 67.218 1.00 0.00 WT1 H ATOM 12151 OH2 TIP3 3326 50.499 36.770 7.901 1.00 0.00 WT1 O ATOM 12152 H1 TIP3 3326 51.260 37.247 8.234 1.00 0.00 WT1 H ATOM 12153 H2 TIP3 3326 49.818 36.917 8.558 1.00 0.00 WT1 H ATOM 12154 OH2 TIP3 3327 57.868 16.821 -8.492 1.00 0.00 WT1 O ATOM 12155 H1 TIP3 3327 57.807 17.350 -7.697 1.00 0.00 WT1 H ATOM 12156 H2 TIP3 3327 57.208 16.137 -8.376 1.00 0.00 WT1 H ATOM 12157 OH2 TIP3 3329 48.836 39.669 6.855 1.00 0.00 WT1 O ATOM 12158 H1 TIP3 3329 48.689 40.598 7.032 1.00 0.00 WT1 H ATOM 12159 H2 TIP3 3329 49.264 39.339 7.644 1.00 0.00 WT1 H ATOM 12160 OH2 TIP3 3332 64.459 86.392 -6.980 1.00 0.00 WT1 O ATOM 12161 H1 TIP3 3332 65.250 86.856 -7.254 1.00 0.00 WT1 H ATOM 12162 H2 TIP3 3332 63.916 86.357 -7.768 1.00 0.00 WT1 H ATOM 12163 OH2 TIP3 3334 51.865 38.582 23.833 1.00 0.00 WT1 O ATOM 12164 H1 TIP3 3334 51.048 39.080 23.818 1.00 0.00 WT1 H ATOM 12165 H2 TIP3 3334 52.085 38.455 22.910 1.00 0.00 WT1 H ATOM 12166 OH2 TIP3 3336 63.633 3.042 34.332 1.00 0.00 WT1 O ATOM 12167 H1 TIP3 3336 63.605 3.994 34.244 1.00 0.00 WT1 H ATOM 12168 H2 TIP3 3336 64.020 2.736 33.512 1.00 0.00 WT1 H ATOM 12169 OH2 TIP3 3337 85.493 58.602 8.228 1.00 0.00 WT1 O ATOM 12170 H1 TIP3 3337 86.332 58.161 8.358 1.00 0.00 WT1 H ATOM 12171 H2 TIP3 3337 85.040 58.069 7.575 1.00 0.00 WT1 H ATOM 12172 OH2 TIP3 3338 46.518 51.388 -1.979 1.00 0.00 WT1 O ATOM 12173 H1 TIP3 3338 46.755 52.309 -2.079 1.00 0.00 WT1 H ATOM 12174 H2 TIP3 3338 46.096 51.340 -1.121 1.00 0.00 WT1 H ATOM 12175 OH2 TIP3 3339 68.810 50.359 19.540 1.00 0.00 WT1 O ATOM 12176 H1 TIP3 3339 67.944 50.676 19.285 1.00 0.00 WT1 H ATOM 12177 H2 TIP3 3339 69.322 51.153 19.693 1.00 0.00 WT1 H ATOM 12178 OH2 TIP3 3341 34.908 31.431 49.016 1.00 0.00 WT1 O ATOM 12179 H1 TIP3 3341 34.685 30.591 48.614 1.00 0.00 WT1 H ATOM 12180 H2 TIP3 3341 34.437 31.430 49.849 1.00 0.00 WT1 H ATOM 12181 OH2 TIP3 3342 90.491 29.990 33.752 1.00 0.00 WT1 O ATOM 12182 H1 TIP3 3342 90.784 30.436 32.958 1.00 0.00 WT1 H ATOM 12183 H2 TIP3 3342 89.628 30.363 33.933 1.00 0.00 WT1 H ATOM 12184 OH2 TIP3 3343 78.398 59.331 29.302 1.00 0.00 WT1 O ATOM 12185 H1 TIP3 3343 78.633 60.172 28.910 1.00 0.00 WT1 H ATOM 12186 H2 TIP3 3343 78.086 58.803 28.567 1.00 0.00 WT1 H ATOM 12187 OH2 TIP3 3344 85.243 10.318 -15.808 1.00 0.00 WT1 O ATOM 12188 H1 TIP3 3344 86.189 10.377 -15.677 1.00 0.00 WT1 H ATOM 12189 H2 TIP3 3344 85.030 11.069 -16.362 1.00 0.00 WT1 H ATOM 12190 OH2 TIP3 3345 42.980 92.131 -9.659 1.00 0.00 WT1 O ATOM 12191 H1 TIP3 3345 43.309 91.841 -10.510 1.00 0.00 WT1 H ATOM 12192 H2 TIP3 3345 42.700 93.034 -9.805 1.00 0.00 WT1 H ATOM 12193 OH2 TIP3 3347 79.826 18.842 -10.035 1.00 0.00 WT1 O ATOM 12194 H1 TIP3 3347 79.507 18.907 -9.135 1.00 0.00 WT1 H ATOM 12195 H2 TIP3 3347 79.898 19.749 -10.330 1.00 0.00 WT1 H ATOM 12196 OH2 TIP3 3348 77.806 81.164 12.842 1.00 0.00 WT1 O ATOM 12197 H1 TIP3 3348 78.411 81.907 12.829 1.00 0.00 WT1 H ATOM 12198 H2 TIP3 3348 77.714 80.913 11.923 1.00 0.00 WT1 H ATOM 12199 OH2 TIP3 3349 30.216 6.140 18.333 1.00 0.00 WT1 O ATOM 12200 H1 TIP3 3349 30.005 5.220 18.176 1.00 0.00 WT1 H ATOM 12201 H2 TIP3 3349 30.441 6.180 19.263 1.00 0.00 WT1 H ATOM 12202 OH2 TIP3 3350 21.002 40.661 58.631 1.00 0.00 WT1 O ATOM 12203 H1 TIP3 3350 21.095 39.791 58.243 1.00 0.00 WT1 H ATOM 12204 H2 TIP3 3350 21.103 40.517 59.572 1.00 0.00 WT1 H ATOM 12205 OH2 TIP3 3355 52.660 25.873 6.191 1.00 0.00 WT1 O ATOM 12206 H1 TIP3 3355 53.266 26.613 6.152 1.00 0.00 WT1 H ATOM 12207 H2 TIP3 3355 52.985 25.334 6.912 1.00 0.00 WT1 H ATOM 12208 OH2 TIP3 3356 51.767 30.335 16.285 1.00 0.00 WT1 O ATOM 12209 H1 TIP3 3356 51.926 31.101 16.837 1.00 0.00 WT1 H ATOM 12210 H2 TIP3 3356 50.901 30.025 16.549 1.00 0.00 WT1 H ATOM 12211 OH2 TIP3 3358 39.165 46.471 34.642 1.00 0.00 WT1 O ATOM 12212 H1 TIP3 3358 40.026 46.064 34.552 1.00 0.00 WT1 H ATOM 12213 H2 TIP3 3358 39.094 47.053 33.886 1.00 0.00 WT1 H ATOM 12214 OH2 TIP3 3359 67.196 43.450 43.650 1.00 0.00 WT1 O ATOM 12215 H1 TIP3 3359 67.997 43.058 43.302 1.00 0.00 WT1 H ATOM 12216 H2 TIP3 3359 67.349 44.393 43.601 1.00 0.00 WT1 H ATOM 12217 OH2 TIP3 3360 67.538 4.926 4.920 1.00 0.00 WT1 O ATOM 12218 H1 TIP3 3360 67.548 4.869 3.964 1.00 0.00 WT1 H ATOM 12219 H2 TIP3 3360 67.280 5.830 5.103 1.00 0.00 WT1 H ATOM 12220 OH2 TIP3 3361 33.486 18.152 -3.078 1.00 0.00 WT1 O ATOM 12221 H1 TIP3 3361 33.444 18.517 -2.194 1.00 0.00 WT1 H ATOM 12222 H2 TIP3 3361 33.747 18.889 -3.630 1.00 0.00 WT1 H ATOM 12223 OH2 TIP3 3362 40.536 50.709 57.228 1.00 0.00 WT1 O ATOM 12224 H1 TIP3 3362 39.730 51.215 57.122 1.00 0.00 WT1 H ATOM 12225 H2 TIP3 3362 41.019 50.854 56.415 1.00 0.00 WT1 H ATOM 12226 OH2 TIP3 3363 50.758 49.762 34.068 1.00 0.00 WT1 O ATOM 12227 H1 TIP3 3363 51.036 49.626 33.162 1.00 0.00 WT1 H ATOM 12228 H2 TIP3 3363 49.823 49.955 34.006 1.00 0.00 WT1 H ATOM 12229 OH2 TIP3 3364 37.220 41.238 54.669 1.00 0.00 WT1 O ATOM 12230 H1 TIP3 3364 37.329 40.609 53.955 1.00 0.00 WT1 H ATOM 12231 H2 TIP3 3364 37.561 42.061 54.318 1.00 0.00 WT1 H ATOM 12232 OH2 TIP3 3365 84.797 44.874 38.921 1.00 0.00 WT1 O ATOM 12233 H1 TIP3 3365 84.677 44.179 39.568 1.00 0.00 WT1 H ATOM 12234 H2 TIP3 3365 84.400 44.529 38.121 1.00 0.00 WT1 H ATOM 12235 OH2 TIP3 3366 63.696 69.644 33.666 1.00 0.00 WT1 O ATOM 12236 H1 TIP3 3366 63.176 68.979 33.215 1.00 0.00 WT1 H ATOM 12237 H2 TIP3 3366 63.050 70.256 34.017 1.00 0.00 WT1 H ATOM 12238 OH2 TIP3 3367 67.369 75.789 -11.322 1.00 0.00 WT1 O ATOM 12239 H1 TIP3 3367 67.797 76.364 -11.957 1.00 0.00 WT1 H ATOM 12240 H2 TIP3 3367 66.433 75.939 -11.455 1.00 0.00 WT1 H ATOM 12241 OH2 TIP3 3368 25.935 41.785 60.499 1.00 0.00 WT1 O ATOM 12242 H1 TIP3 3368 26.538 41.865 59.761 1.00 0.00 WT1 H ATOM 12243 H2 TIP3 3368 26.497 41.586 61.248 1.00 0.00 WT1 H ATOM 12244 OH2 TIP3 3370 85.681 0.834 32.839 1.00 0.00 WT1 O ATOM 12245 H1 TIP3 3370 85.409 -0.002 32.460 1.00 0.00 WT1 H ATOM 12246 H2 TIP3 3370 86.637 0.815 32.799 1.00 0.00 WT1 H ATOM 12247 OH2 TIP3 3371 43.813 38.269 5.096 1.00 0.00 WT1 O ATOM 12248 H1 TIP3 3371 43.488 38.133 5.986 1.00 0.00 WT1 H ATOM 12249 H2 TIP3 3371 44.726 38.534 5.212 1.00 0.00 WT1 H ATOM 12250 OH2 TIP3 3373 33.379 91.925 -1.607 1.00 0.00 WT1 O ATOM 12251 H1 TIP3 3373 33.622 91.299 -2.289 1.00 0.00 WT1 H ATOM 12252 H2 TIP3 3373 33.100 91.382 -0.871 1.00 0.00 WT1 H ATOM 12253 OH2 TIP3 3377 86.271 63.552 60.206 1.00 0.00 WT1 O ATOM 12254 H1 TIP3 3377 86.098 63.273 61.105 1.00 0.00 WT1 H ATOM 12255 H2 TIP3 3377 86.599 62.765 59.770 1.00 0.00 WT1 H ATOM 12256 OH2 TIP3 3379 90.484 11.344 -10.472 1.00 0.00 WT1 O ATOM 12257 H1 TIP3 3379 89.992 11.986 -9.960 1.00 0.00 WT1 H ATOM 12258 H2 TIP3 3379 90.491 11.700 -11.360 1.00 0.00 WT1 H ATOM 12259 OH2 TIP3 3380 56.147 42.287 35.323 1.00 0.00 WT1 O ATOM 12260 H1 TIP3 3380 56.206 43.095 35.833 1.00 0.00 WT1 H ATOM 12261 H2 TIP3 3380 55.210 42.173 35.161 1.00 0.00 WT1 H ATOM 12262 OH2 TIP3 3381 26.150 33.222 46.630 1.00 0.00 WT1 O ATOM 12263 H1 TIP3 3381 26.717 32.640 46.124 1.00 0.00 WT1 H ATOM 12264 H2 TIP3 3381 26.021 32.767 47.462 1.00 0.00 WT1 H ATOM 12265 OH2 TIP3 3382 54.647 40.778 59.208 1.00 0.00 WT1 O ATOM 12266 H1 TIP3 3382 54.252 41.494 59.705 1.00 0.00 WT1 H ATOM 12267 H2 TIP3 3382 54.747 41.127 58.322 1.00 0.00 WT1 H ATOM 12268 OH2 TIP3 3383 34.680 11.579 64.002 1.00 0.00 WT1 O ATOM 12269 H1 TIP3 3383 33.801 11.247 64.185 1.00 0.00 WT1 H ATOM 12270 H2 TIP3 3383 35.259 11.030 64.531 1.00 0.00 WT1 H ATOM 12271 OH2 TIP3 3384 84.723 89.881 39.480 1.00 0.00 WT1 O ATOM 12272 H1 TIP3 3384 84.601 90.769 39.144 1.00 0.00 WT1 H ATOM 12273 H2 TIP3 3384 85.601 89.634 39.191 1.00 0.00 WT1 H ATOM 12274 OH2 TIP3 3385 73.780 31.812 37.297 1.00 0.00 WT1 O ATOM 12275 H1 TIP3 3385 73.158 31.676 38.012 1.00 0.00 WT1 H ATOM 12276 H2 TIP3 3385 74.109 30.936 37.095 1.00 0.00 WT1 H ATOM 12277 OH2 TIP3 3386 47.073 72.104 5.423 1.00 0.00 WT1 O ATOM 12278 H1 TIP3 3386 47.414 72.041 4.531 1.00 0.00 WT1 H ATOM 12279 H2 TIP3 3386 47.605 71.487 5.927 1.00 0.00 WT1 H ATOM 12280 OH2 TIP3 3387 72.738 55.976 -5.756 1.00 0.00 WT1 O ATOM 12281 H1 TIP3 3387 73.615 56.197 -6.072 1.00 0.00 WT1 H ATOM 12282 H2 TIP3 3387 72.222 56.768 -5.906 1.00 0.00 WT1 H ATOM 12283 OH2 TIP3 3388 78.209 66.215 33.629 1.00 0.00 WT1 O ATOM 12284 H1 TIP3 3388 77.902 65.632 32.935 1.00 0.00 WT1 H ATOM 12285 H2 TIP3 3388 78.229 65.666 34.413 1.00 0.00 WT1 H ATOM 12286 OH2 TIP3 3389 44.433 33.404 50.396 1.00 0.00 WT1 O ATOM 12287 H1 TIP3 3389 44.208 34.239 50.804 1.00 0.00 WT1 H ATOM 12288 H2 TIP3 3389 45.389 33.409 50.348 1.00 0.00 WT1 H ATOM 12289 OH2 TIP3 3390 66.722 18.559 32.185 1.00 0.00 WT1 O ATOM 12290 H1 TIP3 3390 67.234 18.738 31.397 1.00 0.00 WT1 H ATOM 12291 H2 TIP3 3390 67.033 19.199 32.825 1.00 0.00 WT1 H ATOM 12292 OH2 TIP3 3393 43.014 91.320 1.538 1.00 0.00 WT1 O ATOM 12293 H1 TIP3 3393 43.205 91.950 2.233 1.00 0.00 WT1 H ATOM 12294 H2 TIP3 3393 42.404 90.700 1.938 1.00 0.00 WT1 H ATOM 12295 OH2 TIP3 3398 30.900 54.990 49.118 1.00 0.00 WT1 O ATOM 12296 H1 TIP3 3398 30.317 55.535 48.589 1.00 0.00 WT1 H ATOM 12297 H2 TIP3 3398 30.998 54.183 48.613 1.00 0.00 WT1 H ATOM 12298 OH2 TIP3 3401 41.020 35.034 36.989 1.00 0.00 WT1 O ATOM 12299 H1 TIP3 3401 40.300 35.591 37.285 1.00 0.00 WT1 H ATOM 12300 H2 TIP3 3401 41.272 35.398 36.141 1.00 0.00 WT1 H ATOM 12301 OH2 TIP3 3402 73.940 16.025 54.776 1.00 0.00 WT1 O ATOM 12302 H1 TIP3 3402 74.194 15.745 53.897 1.00 0.00 WT1 H ATOM 12303 H2 TIP3 3402 74.036 16.977 54.762 1.00 0.00 WT1 H ATOM 12304 OH2 TIP3 3404 49.416 68.555 1.796 1.00 0.00 WT1 O ATOM 12305 H1 TIP3 3404 48.562 68.129 1.730 1.00 0.00 WT1 H ATOM 12306 H2 TIP3 3404 49.619 68.543 2.732 1.00 0.00 WT1 H ATOM 12307 OH2 TIP3 3405 64.157 18.818 48.588 1.00 0.00 WT1 O ATOM 12308 H1 TIP3 3405 64.146 19.657 49.049 1.00 0.00 WT1 H ATOM 12309 H2 TIP3 3405 64.170 19.054 47.660 1.00 0.00 WT1 H ATOM 12310 OH2 TIP3 3406 47.348 16.133 57.266 1.00 0.00 WT1 O ATOM 12311 H1 TIP3 3406 47.842 15.320 57.365 1.00 0.00 WT1 H ATOM 12312 H2 TIP3 3406 46.431 15.859 57.266 1.00 0.00 WT1 H ATOM 12313 OH2 TIP3 3407 83.878 88.001 -10.581 1.00 0.00 WT1 O ATOM 12314 H1 TIP3 3407 84.697 88.346 -10.225 1.00 0.00 WT1 H ATOM 12315 H2 TIP3 3407 84.150 87.427 -11.297 1.00 0.00 WT1 H ATOM 12316 OH2 TIP3 3408 65.400 25.661 14.900 1.00 0.00 WT1 O ATOM 12317 H1 TIP3 3408 65.483 25.908 15.821 1.00 0.00 WT1 H ATOM 12318 H2 TIP3 3408 64.456 25.619 14.747 1.00 0.00 WT1 H ATOM 12319 OH2 TIP3 3409 43.026 0.368 -1.540 1.00 0.00 WT1 O ATOM 12320 H1 TIP3 3409 42.884 -0.373 -0.951 1.00 0.00 WT1 H ATOM 12321 H2 TIP3 3409 42.522 1.083 -1.151 1.00 0.00 WT1 H ATOM 12322 OH2 TIP3 3410 39.877 69.265 34.287 1.00 0.00 WT1 O ATOM 12323 H1 TIP3 3410 39.715 70.135 34.650 1.00 0.00 WT1 H ATOM 12324 H2 TIP3 3410 40.815 69.255 34.096 1.00 0.00 WT1 H ATOM 12325 OH2 TIP3 3411 38.608 33.402 -17.263 1.00 0.00 WT1 O ATOM 12326 H1 TIP3 3411 38.387 34.020 -17.960 1.00 0.00 WT1 H ATOM 12327 H2 TIP3 3411 39.531 33.572 -17.076 1.00 0.00 WT1 H ATOM 12328 OH2 TIP3 3412 40.427 46.618 39.101 1.00 0.00 WT1 O ATOM 12329 H1 TIP3 3412 40.651 47.541 38.984 1.00 0.00 WT1 H ATOM 12330 H2 TIP3 3412 41.115 46.275 39.672 1.00 0.00 WT1 H ATOM 12331 OH2 TIP3 3420 35.864 50.844 42.484 1.00 0.00 WT1 O ATOM 12332 H1 TIP3 3420 36.543 50.815 43.158 1.00 0.00 WT1 H ATOM 12333 H2 TIP3 3420 35.088 51.170 42.940 1.00 0.00 WT1 H ATOM 12334 OH2 TIP3 3421 51.271 53.222 23.910 1.00 0.00 WT1 O ATOM 12335 H1 TIP3 3421 51.531 53.052 23.004 1.00 0.00 WT1 H ATOM 12336 H2 TIP3 3421 51.218 54.176 23.969 1.00 0.00 WT1 H ATOM 12337 OH2 TIP3 3422 33.571 20.518 7.821 1.00 0.00 WT1 O ATOM 12338 H1 TIP3 3422 34.465 20.379 8.132 1.00 0.00 WT1 H ATOM 12339 H2 TIP3 3422 33.666 20.677 6.882 1.00 0.00 WT1 H ATOM 12340 OH2 TIP3 3423 38.832 96.498 36.318 1.00 0.00 WT1 O ATOM 12341 H1 TIP3 3423 38.830 96.584 37.272 1.00 0.00 WT1 H ATOM 12342 H2 TIP3 3423 38.016 96.040 36.117 1.00 0.00 WT1 H ATOM 12343 OH2 TIP3 3424 24.789 64.874 55.465 1.00 0.00 WT1 O ATOM 12344 H1 TIP3 3424 25.564 64.606 54.970 1.00 0.00 WT1 H ATOM 12345 H2 TIP3 3424 24.778 65.828 55.395 1.00 0.00 WT1 H ATOM 12346 OH2 TIP3 3425 23.693 56.358 33.934 1.00 0.00 WT1 O ATOM 12347 H1 TIP3 3425 24.409 55.863 34.331 1.00 0.00 WT1 H ATOM 12348 H2 TIP3 3425 23.935 56.432 33.011 1.00 0.00 WT1 H ATOM 12349 OH2 TIP3 3426 37.614 69.818 8.395 1.00 0.00 WT1 O ATOM 12350 H1 TIP3 3426 38.422 69.891 7.888 1.00 0.00 WT1 H ATOM 12351 H2 TIP3 3426 37.905 69.617 9.284 1.00 0.00 WT1 H ATOM 12352 OH2 TIP3 3427 20.304 1.026 -5.314 1.00 0.00 WT1 O ATOM 12353 H1 TIP3 3427 21.131 1.440 -5.067 1.00 0.00 WT1 H ATOM 12354 H2 TIP3 3427 20.137 1.335 -6.204 1.00 0.00 WT1 H ATOM 12355 OH2 TIP3 3428 65.913 4.852 64.440 1.00 0.00 WT1 O ATOM 12356 H1 TIP3 3428 66.847 5.057 64.406 1.00 0.00 WT1 H ATOM 12357 H2 TIP3 3428 65.864 3.922 64.219 1.00 0.00 WT1 H ATOM 12358 OH2 TIP3 3429 55.269 36.664 38.656 1.00 0.00 WT1 O ATOM 12359 H1 TIP3 3429 54.576 36.891 39.276 1.00 0.00 WT1 H ATOM 12360 H2 TIP3 3429 55.139 37.263 37.921 1.00 0.00 WT1 H ATOM 12361 OH2 TIP3 3430 87.100 83.803 17.726 1.00 0.00 WT1 O ATOM 12362 H1 TIP3 3430 87.640 83.013 17.768 1.00 0.00 WT1 H ATOM 12363 H2 TIP3 3430 87.565 84.440 18.268 1.00 0.00 WT1 H ATOM 12364 OH2 TIP3 3431 27.974 39.617 27.250 1.00 0.00 WT1 O ATOM 12365 H1 TIP3 3431 28.707 39.355 27.806 1.00 0.00 WT1 H ATOM 12366 H2 TIP3 3431 28.118 39.149 26.427 1.00 0.00 WT1 H ATOM 12367 OH2 TIP3 3432 65.212 48.443 -16.349 1.00 0.00 WT1 O ATOM 12368 H1 TIP3 3432 65.391 49.020 -15.606 1.00 0.00 WT1 H ATOM 12369 H2 TIP3 3432 66.075 48.137 -16.628 1.00 0.00 WT1 H ATOM 12370 OH2 TIP3 3433 60.840 63.486 35.386 1.00 0.00 WT1 O ATOM 12371 H1 TIP3 3433 60.338 62.686 35.542 1.00 0.00 WT1 H ATOM 12372 H2 TIP3 3433 61.155 63.401 34.486 1.00 0.00 WT1 H ATOM 12373 OH2 TIP3 3434 69.982 73.575 55.331 1.00 0.00 WT1 O ATOM 12374 H1 TIP3 3434 69.545 73.183 54.575 1.00 0.00 WT1 H ATOM 12375 H2 TIP3 3434 70.240 72.829 55.873 1.00 0.00 WT1 H ATOM 12376 OH2 TIP3 3436 32.014 67.839 7.157 1.00 0.00 WT1 O ATOM 12377 H1 TIP3 3436 31.831 66.900 7.142 1.00 0.00 WT1 H ATOM 12378 H2 TIP3 3436 31.160 68.248 7.294 1.00 0.00 WT1 H ATOM 12379 OH2 TIP3 3437 21.486 88.855 32.178 1.00 0.00 WT1 O ATOM 12380 H1 TIP3 3437 20.822 89.127 31.544 1.00 0.00 WT1 H ATOM 12381 H2 TIP3 3437 22.286 88.760 31.661 1.00 0.00 WT1 H ATOM 12382 OH2 TIP3 3438 49.180 21.532 -1.464 1.00 0.00 WT1 O ATOM 12383 H1 TIP3 3438 50.073 21.766 -1.716 1.00 0.00 WT1 H ATOM 12384 H2 TIP3 3438 48.891 22.253 -0.905 1.00 0.00 WT1 H ATOM 12385 OH2 TIP3 3439 77.116 69.874 1.186 1.00 0.00 WT1 O ATOM 12386 H1 TIP3 3439 76.261 69.806 1.613 1.00 0.00 WT1 H ATOM 12387 H2 TIP3 3439 77.318 68.979 0.912 1.00 0.00 WT1 H ATOM 12388 OH2 TIP3 3440 68.486 35.138 30.551 1.00 0.00 WT1 O ATOM 12389 H1 TIP3 3440 68.867 36.015 30.589 1.00 0.00 WT1 H ATOM 12390 H2 TIP3 3440 67.606 35.243 30.913 1.00 0.00 WT1 H ATOM 12391 OH2 TIP3 3441 63.755 3.679 -0.983 1.00 0.00 WT1 O ATOM 12392 H1 TIP3 3441 63.681 3.608 -0.032 1.00 0.00 WT1 H ATOM 12393 H2 TIP3 3441 64.691 3.802 -1.143 1.00 0.00 WT1 H ATOM 12394 OH2 TIP3 3442 21.189 3.826 57.608 1.00 0.00 WT1 O ATOM 12395 H1 TIP3 3442 21.906 3.556 57.034 1.00 0.00 WT1 H ATOM 12396 H2 TIP3 3442 21.622 4.118 58.411 1.00 0.00 WT1 H ATOM 12397 OH2 TIP3 3444 33.583 35.122 5.664 1.00 0.00 WT1 O ATOM 12398 H1 TIP3 3444 34.464 35.483 5.760 1.00 0.00 WT1 H ATOM 12399 H2 TIP3 3444 33.001 35.873 5.784 1.00 0.00 WT1 H ATOM 12400 OH2 TIP3 3445 23.373 66.563 -15.162 1.00 0.00 WT1 O ATOM 12401 H1 TIP3 3445 23.778 67.404 -15.376 1.00 0.00 WT1 H ATOM 12402 H2 TIP3 3445 22.546 66.565 -15.645 1.00 0.00 WT1 H ATOM 12403 OH2 TIP3 3446 40.573 28.287 48.331 1.00 0.00 WT1 O ATOM 12404 H1 TIP3 3446 40.113 27.718 47.714 1.00 0.00 WT1 H ATOM 12405 H2 TIP3 3446 40.931 28.989 47.789 1.00 0.00 WT1 H ATOM 12406 OH2 TIP3 3447 30.477 15.139 -8.706 1.00 0.00 WT1 O ATOM 12407 H1 TIP3 3447 29.613 14.860 -9.008 1.00 0.00 WT1 H ATOM 12408 H2 TIP3 3447 30.334 16.015 -8.347 1.00 0.00 WT1 H ATOM 12409 OH2 TIP3 3448 76.582 68.361 11.247 1.00 0.00 WT1 O ATOM 12410 H1 TIP3 3448 75.917 68.576 11.901 1.00 0.00 WT1 H ATOM 12411 H2 TIP3 3448 76.089 68.240 10.435 1.00 0.00 WT1 H ATOM 12412 OH2 TIP3 3449 38.672 77.105 19.358 1.00 0.00 WT1 O ATOM 12413 H1 TIP3 3449 38.080 77.026 18.611 1.00 0.00 WT1 H ATOM 12414 H2 TIP3 3449 38.399 76.409 19.956 1.00 0.00 WT1 H ATOM 12415 OH2 TIP3 3450 49.411 64.560 -5.469 1.00 0.00 WT1 O ATOM 12416 H1 TIP3 3450 48.696 64.090 -5.898 1.00 0.00 WT1 H ATOM 12417 H2 TIP3 3450 48.982 65.088 -4.796 1.00 0.00 WT1 H ATOM 12418 OH2 TIP3 3451 32.785 55.537 -9.276 1.00 0.00 WT1 O ATOM 12419 H1 TIP3 3451 33.146 55.245 -8.440 1.00 0.00 WT1 H ATOM 12420 H2 TIP3 3451 32.851 54.772 -9.847 1.00 0.00 WT1 H ATOM 12421 OH2 TIP3 3452 52.327 49.040 1.341 1.00 0.00 WT1 O ATOM 12422 H1 TIP3 3452 53.059 48.475 1.589 1.00 0.00 WT1 H ATOM 12423 H2 TIP3 3452 52.512 49.875 1.771 1.00 0.00 WT1 H ATOM 12424 OH2 TIP3 3456 50.675 76.286 45.947 1.00 0.00 WT1 O ATOM 12425 H1 TIP3 3456 50.303 75.404 45.920 1.00 0.00 WT1 H ATOM 12426 H2 TIP3 3456 50.918 76.417 46.863 1.00 0.00 WT1 H ATOM 12427 OH2 TIP3 3459 87.275 28.777 49.782 1.00 0.00 WT1 O ATOM 12428 H1 TIP3 3459 86.381 28.435 49.764 1.00 0.00 WT1 H ATOM 12429 H2 TIP3 3459 87.488 28.844 50.713 1.00 0.00 WT1 H ATOM 12430 OH2 TIP3 3460 63.920 67.157 24.507 1.00 0.00 WT1 O ATOM 12431 H1 TIP3 3460 63.138 67.014 23.974 1.00 0.00 WT1 H ATOM 12432 H2 TIP3 3460 63.675 66.852 25.381 1.00 0.00 WT1 H ATOM 12433 OH2 TIP3 3461 35.352 42.601 -2.174 1.00 0.00 WT1 O ATOM 12434 H1 TIP3 3461 35.024 43.497 -2.261 1.00 0.00 WT1 H ATOM 12435 H2 TIP3 3461 35.887 42.465 -2.955 1.00 0.00 WT1 H ATOM 12436 OH2 TIP3 3462 59.581 13.923 14.135 1.00 0.00 WT1 O ATOM 12437 H1 TIP3 3462 58.853 14.093 14.733 1.00 0.00 WT1 H ATOM 12438 H2 TIP3 3462 60.350 14.269 14.588 1.00 0.00 WT1 H ATOM 12439 OH2 TIP3 3465 51.290 41.331 65.179 1.00 0.00 WT1 O ATOM 12440 H1 TIP3 3465 50.347 41.372 65.025 1.00 0.00 WT1 H ATOM 12441 H2 TIP3 3465 51.386 40.750 65.934 1.00 0.00 WT1 H ATOM 12442 OH2 TIP3 3466 35.309 86.499 49.226 1.00 0.00 WT1 O ATOM 12443 H1 TIP3 3466 35.828 87.294 49.347 1.00 0.00 WT1 H ATOM 12444 H2 TIP3 3466 34.507 86.657 49.724 1.00 0.00 WT1 H ATOM 12445 OH2 TIP3 3467 42.417 18.311 -14.408 1.00 0.00 WT1 O ATOM 12446 H1 TIP3 3467 42.441 17.882 -13.553 1.00 0.00 WT1 H ATOM 12447 H2 TIP3 3467 43.221 18.028 -14.842 1.00 0.00 WT1 H ATOM 12448 OH2 TIP3 3468 86.275 79.448 -13.293 1.00 0.00 WT1 O ATOM 12449 H1 TIP3 3468 86.179 80.307 -12.881 1.00 0.00 WT1 H ATOM 12450 H2 TIP3 3468 87.221 79.307 -13.337 1.00 0.00 WT1 H ATOM 12451 OH2 TIP3 3469 55.077 61.064 66.421 1.00 0.00 WT1 O ATOM 12452 H1 TIP3 3469 54.426 60.552 66.901 1.00 0.00 WT1 H ATOM 12453 H2 TIP3 3469 54.664 61.244 65.576 1.00 0.00 WT1 H ATOM 12454 OH2 TIP3 3470 44.937 45.068 56.683 1.00 0.00 WT1 O ATOM 12455 H1 TIP3 3470 45.137 45.845 56.160 1.00 0.00 WT1 H ATOM 12456 H2 TIP3 3470 44.888 44.356 56.045 1.00 0.00 WT1 H ATOM 12457 OH2 TIP3 3471 41.108 66.556 -13.513 1.00 0.00 WT1 O ATOM 12458 H1 TIP3 3471 41.448 66.600 -14.407 1.00 0.00 WT1 H ATOM 12459 H2 TIP3 3471 41.790 66.102 -13.019 1.00 0.00 WT1 H ATOM 12460 OH2 TIP3 3472 69.048 32.115 -9.990 1.00 0.00 WT1 O ATOM 12461 H1 TIP3 3472 69.718 31.566 -10.398 1.00 0.00 WT1 H ATOM 12462 H2 TIP3 3472 68.501 31.502 -9.499 1.00 0.00 WT1 H ATOM 12463 OH2 TIP3 3473 36.538 49.749 -12.389 1.00 0.00 WT1 O ATOM 12464 H1 TIP3 3473 36.866 49.107 -13.019 1.00 0.00 WT1 H ATOM 12465 H2 TIP3 3473 35.588 49.741 -12.511 1.00 0.00 WT1 H ATOM 12466 OH2 TIP3 3474 25.511 21.998 29.433 1.00 0.00 WT1 O ATOM 12467 H1 TIP3 3474 25.541 22.602 28.691 1.00 0.00 WT1 H ATOM 12468 H2 TIP3 3474 25.419 22.565 30.199 1.00 0.00 WT1 H ATOM 12469 OH2 TIP3 3475 55.170 54.277 12.181 1.00 0.00 WT1 O ATOM 12470 H1 TIP3 3475 55.487 55.044 12.657 1.00 0.00 WT1 H ATOM 12471 H2 TIP3 3475 54.216 54.334 12.242 1.00 0.00 WT1 H ATOM 12472 OH2 TIP3 3476 29.672 4.404 -13.913 1.00 0.00 WT1 O ATOM 12473 H1 TIP3 3476 29.494 3.753 -13.234 1.00 0.00 WT1 H ATOM 12474 H2 TIP3 3476 30.582 4.662 -13.765 1.00 0.00 WT1 H ATOM 12475 OH2 TIP3 3481 38.044 36.126 -0.415 1.00 0.00 WT1 O ATOM 12476 H1 TIP3 3481 38.383 35.345 0.022 1.00 0.00 WT1 H ATOM 12477 H2 TIP3 3481 38.774 36.438 -0.950 1.00 0.00 WT1 H ATOM 12478 OH2 TIP3 3482 31.012 27.915 14.203 1.00 0.00 WT1 O ATOM 12479 H1 TIP3 3482 30.427 27.543 13.544 1.00 0.00 WT1 H ATOM 12480 H2 TIP3 3482 31.186 28.805 13.895 1.00 0.00 WT1 H ATOM 12481 OH2 TIP3 3483 30.413 60.378 41.629 1.00 0.00 WT1 O ATOM 12482 H1 TIP3 3483 31.089 59.885 42.093 1.00 0.00 WT1 H ATOM 12483 H2 TIP3 3483 30.730 60.431 40.727 1.00 0.00 WT1 H ATOM 12484 OH2 TIP3 3484 65.759 74.274 21.672 1.00 0.00 WT1 O ATOM 12485 H1 TIP3 3484 65.890 74.373 20.728 1.00 0.00 WT1 H ATOM 12486 H2 TIP3 3484 66.072 73.390 21.865 1.00 0.00 WT1 H ATOM 12487 OH2 TIP3 3485 78.133 58.018 33.812 1.00 0.00 WT1 O ATOM 12488 H1 TIP3 3485 78.285 58.496 34.627 1.00 0.00 WT1 H ATOM 12489 H2 TIP3 3485 78.673 58.472 33.164 1.00 0.00 WT1 H ATOM 12490 OH2 TIP3 3486 55.789 22.781 -16.551 1.00 0.00 WT1 O ATOM 12491 H1 TIP3 3486 56.682 22.510 -16.763 1.00 0.00 WT1 H ATOM 12492 H2 TIP3 3486 55.777 23.723 -16.725 1.00 0.00 WT1 H ATOM 12493 OH2 TIP3 3487 21.291 46.364 -16.623 1.00 0.00 WT1 O ATOM 12494 H1 TIP3 3487 21.889 46.825 -17.212 1.00 0.00 WT1 H ATOM 12495 H2 TIP3 3487 20.480 46.279 -17.124 1.00 0.00 WT1 H ATOM 12496 OH2 TIP3 3488 46.529 58.978 -10.890 1.00 0.00 WT1 O ATOM 12497 H1 TIP3 3488 46.468 59.798 -10.400 1.00 0.00 WT1 H ATOM 12498 H2 TIP3 3488 47.255 59.116 -11.499 1.00 0.00 WT1 H ATOM 12499 OH2 TIP3 3489 52.015 62.774 52.999 1.00 0.00 WT1 O ATOM 12500 H1 TIP3 3489 52.184 63.619 52.584 1.00 0.00 WT1 H ATOM 12501 H2 TIP3 3489 51.103 62.579 52.782 1.00 0.00 WT1 H ATOM 12502 OH2 TIP3 3490 84.429 90.990 51.666 1.00 0.00 WT1 O ATOM 12503 H1 TIP3 3490 85.330 90.945 51.346 1.00 0.00 WT1 H ATOM 12504 H2 TIP3 3490 84.026 91.688 51.152 1.00 0.00 WT1 H ATOM 12505 OH2 TIP3 3491 24.729 49.527 5.176 1.00 0.00 WT1 O ATOM 12506 H1 TIP3 3491 23.905 49.959 5.399 1.00 0.00 WT1 H ATOM 12507 H2 TIP3 3491 24.467 48.735 4.707 1.00 0.00 WT1 H ATOM 12508 OH2 TIP3 3492 47.715 1.782 52.588 1.00 0.00 WT1 O ATOM 12509 H1 TIP3 3492 48.441 1.271 52.946 1.00 0.00 WT1 H ATOM 12510 H2 TIP3 3492 47.145 1.949 53.340 1.00 0.00 WT1 H ATOM 12511 OH2 TIP3 3494 48.933 58.179 -8.877 1.00 0.00 WT1 O ATOM 12512 H1 TIP3 3494 49.305 57.787 -9.667 1.00 0.00 WT1 H ATOM 12513 H2 TIP3 3494 49.000 59.123 -9.023 1.00 0.00 WT1 H ATOM 12514 OH2 TIP3 3495 51.420 68.758 -12.525 1.00 0.00 WT1 O ATOM 12515 H1 TIP3 3495 52.062 68.271 -13.041 1.00 0.00 WT1 H ATOM 12516 H2 TIP3 3495 51.156 68.151 -11.834 1.00 0.00 WT1 H ATOM 12517 OH2 TIP3 3496 48.969 84.720 15.225 1.00 0.00 WT1 O ATOM 12518 H1 TIP3 3496 49.127 83.848 15.587 1.00 0.00 WT1 H ATOM 12519 H2 TIP3 3496 48.891 85.288 15.991 1.00 0.00 WT1 H ATOM 12520 OH2 TIP3 3497 40.296 79.755 -1.077 1.00 0.00 WT1 O ATOM 12521 H1 TIP3 3497 40.525 80.464 -0.477 1.00 0.00 WT1 H ATOM 12522 H2 TIP3 3497 40.437 78.956 -0.569 1.00 0.00 WT1 H ATOM 12523 OH2 TIP3 3501 52.868 42.298 24.245 1.00 0.00 WT1 O ATOM 12524 H1 TIP3 3501 53.703 42.752 24.132 1.00 0.00 WT1 H ATOM 12525 H2 TIP3 3501 52.630 42.011 23.363 1.00 0.00 WT1 H ATOM 12526 OH2 TIP3 3502 79.630 70.817 25.074 1.00 0.00 WT1 O ATOM 12527 H1 TIP3 3502 79.811 70.613 24.157 1.00 0.00 WT1 H ATOM 12528 H2 TIP3 3502 79.879 70.025 25.550 1.00 0.00 WT1 H ATOM 12529 OH2 TIP3 3504 22.309 69.218 27.292 1.00 0.00 WT1 O ATOM 12530 H1 TIP3 3504 21.663 68.518 27.194 1.00 0.00 WT1 H ATOM 12531 H2 TIP3 3504 22.974 69.024 26.631 1.00 0.00 WT1 H ATOM 12532 OH2 TIP3 3506 72.070 78.614 31.237 1.00 0.00 WT1 O ATOM 12533 H1 TIP3 3506 72.687 79.083 31.799 1.00 0.00 WT1 H ATOM 12534 H2 TIP3 3506 71.271 78.548 31.759 1.00 0.00 WT1 H ATOM 12535 OH2 TIP3 3507 78.939 12.095 7.308 1.00 0.00 WT1 O ATOM 12536 H1 TIP3 3507 79.888 12.072 7.436 1.00 0.00 WT1 H ATOM 12537 H2 TIP3 3507 78.706 13.018 7.404 1.00 0.00 WT1 H ATOM 12538 OH2 TIP3 3508 28.968 42.000 -1.072 1.00 0.00 WT1 O ATOM 12539 H1 TIP3 3508 29.072 42.789 -0.540 1.00 0.00 WT1 H ATOM 12540 H2 TIP3 3508 29.855 41.647 -1.152 1.00 0.00 WT1 H ATOM 12541 OH2 TIP3 3509 50.851 60.547 54.833 1.00 0.00 WT1 O ATOM 12542 H1 TIP3 3509 49.920 60.667 54.644 1.00 0.00 WT1 H ATOM 12543 H2 TIP3 3509 51.227 60.246 54.005 1.00 0.00 WT1 H ATOM 12544 OH2 TIP3 3510 55.470 57.079 16.571 1.00 0.00 WT1 O ATOM 12545 H1 TIP3 3510 54.606 57.127 16.980 1.00 0.00 WT1 H ATOM 12546 H2 TIP3 3510 55.712 57.992 16.415 1.00 0.00 WT1 H ATOM 12547 OH2 TIP3 3511 53.922 78.340 -16.628 1.00 0.00 WT1 O ATOM 12548 H1 TIP3 3511 54.030 79.151 -16.130 1.00 0.00 WT1 H ATOM 12549 H2 TIP3 3511 53.338 77.805 -16.091 1.00 0.00 WT1 H ATOM 12550 OH2 TIP3 3512 74.107 53.101 -10.212 1.00 0.00 WT1 O ATOM 12551 H1 TIP3 3512 73.580 53.657 -9.638 1.00 0.00 WT1 H ATOM 12552 H2 TIP3 3512 73.643 53.112 -11.049 1.00 0.00 WT1 H ATOM 12553 OH2 TIP3 3513 50.240 79.605 0.894 1.00 0.00 WT1 O ATOM 12554 H1 TIP3 3513 50.129 79.224 1.765 1.00 0.00 WT1 H ATOM 12555 H2 TIP3 3513 51.185 79.598 0.747 1.00 0.00 WT1 H ATOM 12556 OH2 TIP3 3514 89.994 13.375 -8.749 1.00 0.00 WT1 O ATOM 12557 H1 TIP3 3514 90.316 14.266 -8.881 1.00 0.00 WT1 H ATOM 12558 H2 TIP3 3514 89.057 13.481 -8.581 1.00 0.00 WT1 H ATOM 12559 OH2 TIP3 3515 59.482 39.487 -7.115 1.00 0.00 WT1 O ATOM 12560 H1 TIP3 3515 59.861 40.345 -6.924 1.00 0.00 WT1 H ATOM 12561 H2 TIP3 3515 60.050 38.866 -6.659 1.00 0.00 WT1 H ATOM 12562 OH2 TIP3 3516 46.050 54.048 0.354 1.00 0.00 WT1 O ATOM 12563 H1 TIP3 3516 46.581 54.222 1.132 1.00 0.00 WT1 H ATOM 12564 H2 TIP3 3516 45.987 53.093 0.316 1.00 0.00 WT1 H ATOM 12565 OH2 TIP3 3517 81.005 91.596 9.016 1.00 0.00 WT1 O ATOM 12566 H1 TIP3 3517 80.443 91.629 8.242 1.00 0.00 WT1 H ATOM 12567 H2 TIP3 3517 81.070 90.664 9.226 1.00 0.00 WT1 H ATOM 12568 OH2 TIP3 3518 31.434 47.272 19.777 1.00 0.00 WT1 O ATOM 12569 H1 TIP3 3518 31.439 48.229 19.772 1.00 0.00 WT1 H ATOM 12570 H2 TIP3 3518 32.156 47.025 19.199 1.00 0.00 WT1 H ATOM 12571 OH2 TIP3 3519 82.845 54.251 43.190 1.00 0.00 WT1 O ATOM 12572 H1 TIP3 3519 82.213 54.933 43.418 1.00 0.00 WT1 H ATOM 12573 H2 TIP3 3519 83.586 54.405 43.776 1.00 0.00 WT1 H ATOM 12574 OH2 TIP3 3520 34.153 75.647 51.913 1.00 0.00 WT1 O ATOM 12575 H1 TIP3 3520 33.231 75.900 51.950 1.00 0.00 WT1 H ATOM 12576 H2 TIP3 3520 34.272 75.303 51.028 1.00 0.00 WT1 H ATOM 12577 OH2 TIP3 3521 71.284 51.390 10.477 1.00 0.00 WT1 O ATOM 12578 H1 TIP3 3521 71.002 51.891 9.711 1.00 0.00 WT1 H ATOM 12579 H2 TIP3 3521 71.777 50.654 10.114 1.00 0.00 WT1 H ATOM 12580 OH2 TIP3 3522 49.947 86.838 31.541 1.00 0.00 WT1 O ATOM 12581 H1 TIP3 3522 49.915 85.882 31.585 1.00 0.00 WT1 H ATOM 12582 H2 TIP3 3522 49.411 87.061 30.780 1.00 0.00 WT1 H ATOM 12583 OH2 TIP3 3523 53.662 21.271 30.098 1.00 0.00 WT1 O ATOM 12584 H1 TIP3 3523 53.577 20.342 29.882 1.00 0.00 WT1 H ATOM 12585 H2 TIP3 3523 53.802 21.701 29.255 1.00 0.00 WT1 H ATOM 12586 OH2 TIP3 3524 42.361 65.322 -10.288 1.00 0.00 WT1 O ATOM 12587 H1 TIP3 3524 42.248 66.268 -10.378 1.00 0.00 WT1 H ATOM 12588 H2 TIP3 3524 42.687 65.203 -9.395 1.00 0.00 WT1 H ATOM 12589 OH2 TIP3 3526 36.006 7.982 17.973 1.00 0.00 WT1 O ATOM 12590 H1 TIP3 3526 36.124 8.436 18.808 1.00 0.00 WT1 H ATOM 12591 H2 TIP3 3526 35.614 8.638 17.397 1.00 0.00 WT1 H ATOM 12592 OH2 TIP3 3527 68.755 14.832 56.732 1.00 0.00 WT1 O ATOM 12593 H1 TIP3 3527 68.385 15.703 56.872 1.00 0.00 WT1 H ATOM 12594 H2 TIP3 3527 69.619 14.996 56.353 1.00 0.00 WT1 H ATOM 12595 OH2 TIP3 3528 80.832 58.259 20.124 1.00 0.00 WT1 O ATOM 12596 H1 TIP3 3528 81.408 58.840 19.628 1.00 0.00 WT1 H ATOM 12597 H2 TIP3 3528 81.039 58.441 21.041 1.00 0.00 WT1 H ATOM 12598 OH2 TIP3 3529 69.169 28.926 5.917 1.00 0.00 WT1 O ATOM 12599 H1 TIP3 3529 69.800 29.609 5.690 1.00 0.00 WT1 H ATOM 12600 H2 TIP3 3529 68.332 29.254 5.589 1.00 0.00 WT1 H ATOM 12601 OH2 TIP3 3530 45.169 9.231 43.321 1.00 0.00 WT1 O ATOM 12602 H1 TIP3 3530 46.116 9.208 43.457 1.00 0.00 WT1 H ATOM 12603 H2 TIP3 3530 44.996 8.513 42.712 1.00 0.00 WT1 H ATOM 12604 OH2 TIP3 3531 51.302 84.786 46.064 1.00 0.00 WT1 O ATOM 12605 H1 TIP3 3531 51.633 85.206 46.857 1.00 0.00 WT1 H ATOM 12606 H2 TIP3 3531 52.056 84.757 45.475 1.00 0.00 WT1 H ATOM 12607 OH2 TIP3 3533 62.383 1.546 52.605 1.00 0.00 WT1 O ATOM 12608 H1 TIP3 3533 62.451 1.703 53.547 1.00 0.00 WT1 H ATOM 12609 H2 TIP3 3533 61.737 2.184 52.302 1.00 0.00 WT1 H ATOM 12610 OH2 TIP3 3534 61.515 72.266 -0.725 1.00 0.00 WT1 O ATOM 12611 H1 TIP3 3534 60.946 72.663 -0.065 1.00 0.00 WT1 H ATOM 12612 H2 TIP3 3534 61.839 71.465 -0.311 1.00 0.00 WT1 H ATOM 12613 OH2 TIP3 3535 47.387 92.005 13.375 1.00 0.00 WT1 O ATOM 12614 H1 TIP3 3535 48.120 92.542 13.675 1.00 0.00 WT1 H ATOM 12615 H2 TIP3 3535 47.568 91.134 13.727 1.00 0.00 WT1 H ATOM 12616 OH2 TIP3 3536 66.890 83.180 -14.677 1.00 0.00 WT1 O ATOM 12617 H1 TIP3 3536 66.877 83.501 -15.579 1.00 0.00 WT1 H ATOM 12618 H2 TIP3 3536 67.672 82.629 -14.630 1.00 0.00 WT1 H ATOM 12619 OH2 TIP3 3537 23.393 6.155 10.067 1.00 0.00 WT1 O ATOM 12620 H1 TIP3 3537 22.991 7.005 9.888 1.00 0.00 WT1 H ATOM 12621 H2 TIP3 3537 24.227 6.368 10.487 1.00 0.00 WT1 H ATOM 12622 OH2 TIP3 3538 25.312 74.718 6.257 1.00 0.00 WT1 O ATOM 12623 H1 TIP3 3538 25.324 73.761 6.277 1.00 0.00 WT1 H ATOM 12624 H2 TIP3 3538 26.224 74.973 6.391 1.00 0.00 WT1 H ATOM 12625 OH2 TIP3 3539 50.590 61.276 -0.113 1.00 0.00 WT1 O ATOM 12626 H1 TIP3 3539 50.976 61.540 0.723 1.00 0.00 WT1 H ATOM 12627 H2 TIP3 3539 49.719 60.951 0.117 1.00 0.00 WT1 H ATOM 12628 OH2 TIP3 3543 24.985 52.139 29.773 1.00 0.00 WT1 O ATOM 12629 H1 TIP3 3543 25.894 51.848 29.710 1.00 0.00 WT1 H ATOM 12630 H2 TIP3 3543 24.565 51.791 28.987 1.00 0.00 WT1 H ATOM 12631 OH2 TIP3 3544 52.822 78.494 26.181 1.00 0.00 WT1 O ATOM 12632 H1 TIP3 3544 52.210 77.770 26.048 1.00 0.00 WT1 H ATOM 12633 H2 TIP3 3544 53.565 78.287 25.614 1.00 0.00 WT1 H ATOM 12634 OH2 TIP3 3545 69.705 60.812 62.130 1.00 0.00 WT1 O ATOM 12635 H1 TIP3 3545 68.860 60.749 61.686 1.00 0.00 WT1 H ATOM 12636 H2 TIP3 3545 69.520 60.565 63.036 1.00 0.00 WT1 H ATOM 12637 OH2 TIP3 3546 48.414 94.965 60.562 1.00 0.00 WT1 O ATOM 12638 H1 TIP3 3546 48.462 95.306 61.455 1.00 0.00 WT1 H ATOM 12639 H2 TIP3 3546 47.751 95.507 60.133 1.00 0.00 WT1 H ATOM 12640 OH2 TIP3 3548 24.444 25.123 49.395 1.00 0.00 WT1 O ATOM 12641 H1 TIP3 3548 24.063 25.156 48.517 1.00 0.00 WT1 H ATOM 12642 H2 TIP3 3548 25.055 24.387 49.363 1.00 0.00 WT1 H ATOM 12643 OH2 TIP3 3549 29.473 17.590 41.540 1.00 0.00 WT1 O ATOM 12644 H1 TIP3 3549 29.674 17.763 42.459 1.00 0.00 WT1 H ATOM 12645 H2 TIP3 3549 29.253 16.659 41.513 1.00 0.00 WT1 H ATOM 12646 OH2 TIP3 3550 42.971 43.805 41.583 1.00 0.00 WT1 O ATOM 12647 H1 TIP3 3550 42.982 44.761 41.546 1.00 0.00 WT1 H ATOM 12648 H2 TIP3 3550 43.200 43.527 40.696 1.00 0.00 WT1 H ATOM 12649 OH2 TIP3 3551 23.001 90.087 58.143 1.00 0.00 WT1 O ATOM 12650 H1 TIP3 3551 22.611 90.137 59.016 1.00 0.00 WT1 H ATOM 12651 H2 TIP3 3551 22.363 90.513 57.570 1.00 0.00 WT1 H ATOM 12652 OH2 TIP3 3552 35.154 76.575 -0.208 1.00 0.00 WT1 O ATOM 12653 H1 TIP3 3552 35.267 76.595 0.742 1.00 0.00 WT1 H ATOM 12654 H2 TIP3 3552 35.914 77.045 -0.550 1.00 0.00 WT1 H ATOM 12655 OH2 TIP3 3554 56.146 23.118 5.293 1.00 0.00 WT1 O ATOM 12656 H1 TIP3 3554 55.925 24.049 5.317 1.00 0.00 WT1 H ATOM 12657 H2 TIP3 3554 55.686 22.743 6.044 1.00 0.00 WT1 H ATOM 12658 OH2 TIP3 3555 44.631 75.269 -15.818 1.00 0.00 WT1 O ATOM 12659 H1 TIP3 3555 44.425 76.097 -15.384 1.00 0.00 WT1 H ATOM 12660 H2 TIP3 3555 45.549 75.355 -16.076 1.00 0.00 WT1 H ATOM 12661 OH2 TIP3 3556 68.533 75.102 1.602 1.00 0.00 WT1 O ATOM 12662 H1 TIP3 3556 68.717 75.854 2.165 1.00 0.00 WT1 H ATOM 12663 H2 TIP3 3556 67.635 74.853 1.820 1.00 0.00 WT1 H ATOM 12664 OH2 TIP3 3557 89.923 24.289 -13.239 1.00 0.00 WT1 O ATOM 12665 H1 TIP3 3557 90.147 24.018 -12.349 1.00 0.00 WT1 H ATOM 12666 H2 TIP3 3557 90.097 25.230 -13.255 1.00 0.00 WT1 H ATOM 12667 OH2 TIP3 3558 72.893 31.552 15.008 1.00 0.00 WT1 O ATOM 12668 H1 TIP3 3558 72.459 31.399 14.169 1.00 0.00 WT1 H ATOM 12669 H2 TIP3 3558 72.215 31.380 15.663 1.00 0.00 WT1 H ATOM 12670 OH2 TIP3 3559 46.676 41.137 60.513 1.00 0.00 WT1 O ATOM 12671 H1 TIP3 3559 45.980 40.573 60.852 1.00 0.00 WT1 H ATOM 12672 H2 TIP3 3559 46.989 40.686 59.729 1.00 0.00 WT1 H ATOM 12673 OH2 TIP3 3560 41.390 12.929 57.102 1.00 0.00 WT1 O ATOM 12674 H1 TIP3 3560 40.866 13.659 56.772 1.00 0.00 WT1 H ATOM 12675 H2 TIP3 3560 42.272 13.097 56.769 1.00 0.00 WT1 H ATOM 12676 OH2 TIP3 3561 32.784 6.228 -4.700 1.00 0.00 WT1 O ATOM 12677 H1 TIP3 3561 32.947 6.218 -3.757 1.00 0.00 WT1 H ATOM 12678 H2 TIP3 3561 32.392 7.085 -4.868 1.00 0.00 WT1 H ATOM 12679 OH2 TIP3 3562 25.307 18.937 56.875 1.00 0.00 WT1 O ATOM 12680 H1 TIP3 3562 25.112 18.018 56.691 1.00 0.00 WT1 H ATOM 12681 H2 TIP3 3562 25.723 19.259 56.076 1.00 0.00 WT1 H ATOM 12682 OH2 TIP3 3563 47.811 5.002 45.212 1.00 0.00 WT1 O ATOM 12683 H1 TIP3 3563 47.644 4.879 46.147 1.00 0.00 WT1 H ATOM 12684 H2 TIP3 3563 48.035 4.128 44.892 1.00 0.00 WT1 H ATOM 12685 OH2 TIP3 3564 65.544 80.358 19.231 1.00 0.00 WT1 O ATOM 12686 H1 TIP3 3564 66.371 79.968 18.948 1.00 0.00 WT1 H ATOM 12687 H2 TIP3 3564 64.963 79.610 19.372 1.00 0.00 WT1 H ATOM 12688 OH2 TIP3 3566 70.094 28.482 39.972 1.00 0.00 WT1 O ATOM 12689 H1 TIP3 3566 70.000 28.021 40.805 1.00 0.00 WT1 H ATOM 12690 H2 TIP3 3566 69.316 28.235 39.471 1.00 0.00 WT1 H ATOM 12691 OH2 TIP3 3567 60.620 79.858 -19.296 1.00 0.00 WT1 O ATOM 12692 H1 TIP3 3567 60.540 79.203 -19.990 1.00 0.00 WT1 H ATOM 12693 H2 TIP3 3567 61.486 80.244 -19.429 1.00 0.00 WT1 H ATOM 12694 OH2 TIP3 3568 25.479 82.005 31.974 1.00 0.00 WT1 O ATOM 12695 H1 TIP3 3568 25.446 81.060 31.824 1.00 0.00 WT1 H ATOM 12696 H2 TIP3 3568 24.645 82.330 31.636 1.00 0.00 WT1 H ATOM 12697 OH2 TIP3 3569 71.447 28.593 24.573 1.00 0.00 WT1 O ATOM 12698 H1 TIP3 3569 71.963 29.384 24.727 1.00 0.00 WT1 H ATOM 12699 H2 TIP3 3569 71.688 28.318 23.688 1.00 0.00 WT1 H ATOM 12700 OH2 TIP3 3570 44.853 91.526 53.978 1.00 0.00 WT1 O ATOM 12701 H1 TIP3 3570 44.844 92.365 53.518 1.00 0.00 WT1 H ATOM 12702 H2 TIP3 3570 44.629 90.882 53.306 1.00 0.00 WT1 H ATOM 12703 OH2 TIP3 3571 52.306 39.364 -9.603 1.00 0.00 WT1 O ATOM 12704 H1 TIP3 3571 51.719 38.704 -9.234 1.00 0.00 WT1 H ATOM 12705 H2 TIP3 3571 52.805 39.688 -8.854 1.00 0.00 WT1 H ATOM 12706 OH2 TIP3 3572 51.588 31.554 33.813 1.00 0.00 WT1 O ATOM 12707 H1 TIP3 3572 51.124 31.249 33.033 1.00 0.00 WT1 H ATOM 12708 H2 TIP3 3572 50.947 32.088 34.281 1.00 0.00 WT1 H ATOM 12709 OH2 TIP3 3573 65.782 85.266 62.961 1.00 0.00 WT1 O ATOM 12710 H1 TIP3 3573 65.148 84.820 63.521 1.00 0.00 WT1 H ATOM 12711 H2 TIP3 3573 66.634 85.040 63.336 1.00 0.00 WT1 H ATOM 12712 OH2 TIP3 3574 27.746 27.564 -17.932 1.00 0.00 WT1 O ATOM 12713 H1 TIP3 3574 27.522 28.488 -17.816 1.00 0.00 WT1 H ATOM 12714 H2 TIP3 3574 26.905 27.108 -17.902 1.00 0.00 WT1 H ATOM 12715 OH2 TIP3 3575 47.516 77.065 46.769 1.00 0.00 WT1 O ATOM 12716 H1 TIP3 3575 47.632 76.139 46.555 1.00 0.00 WT1 H ATOM 12717 H2 TIP3 3575 46.959 77.405 46.069 1.00 0.00 WT1 H ATOM 12718 OH2 TIP3 3576 62.460 31.026 4.754 1.00 0.00 WT1 O ATOM 12719 H1 TIP3 3576 61.592 31.430 4.776 1.00 0.00 WT1 H ATOM 12720 H2 TIP3 3576 63.001 31.589 5.308 1.00 0.00 WT1 H ATOM 12721 OH2 TIP3 3578 69.943 76.648 -16.794 1.00 0.00 WT1 O ATOM 12722 H1 TIP3 3578 70.805 76.242 -16.888 1.00 0.00 WT1 H ATOM 12723 H2 TIP3 3578 69.324 75.943 -16.981 1.00 0.00 WT1 H ATOM 12724 OH2 TIP3 3579 36.238 64.150 15.319 1.00 0.00 WT1 O ATOM 12725 H1 TIP3 3579 37.058 63.661 15.255 1.00 0.00 WT1 H ATOM 12726 H2 TIP3 3579 36.217 64.687 14.527 1.00 0.00 WT1 H ATOM 12727 OH2 TIP3 3582 89.953 89.190 -16.452 1.00 0.00 WT1 O ATOM 12728 H1 TIP3 3582 89.771 89.367 -15.529 1.00 0.00 WT1 H ATOM 12729 H2 TIP3 3582 90.896 89.327 -16.542 1.00 0.00 WT1 H ATOM 12730 OH2 TIP3 3583 65.450 21.308 28.912 1.00 0.00 WT1 O ATOM 12731 H1 TIP3 3583 64.799 21.765 28.379 1.00 0.00 WT1 H ATOM 12732 H2 TIP3 3583 66.193 21.177 28.323 1.00 0.00 WT1 H ATOM 12733 OH2 TIP3 3585 58.924 20.871 -6.490 1.00 0.00 WT1 O ATOM 12734 H1 TIP3 3585 59.245 21.449 -7.183 1.00 0.00 WT1 H ATOM 12735 H2 TIP3 3585 59.046 21.373 -5.684 1.00 0.00 WT1 H ATOM 12736 OH2 TIP3 3586 85.289 64.029 2.111 1.00 0.00 WT1 O ATOM 12737 H1 TIP3 3586 85.042 63.108 2.033 1.00 0.00 WT1 H ATOM 12738 H2 TIP3 3586 86.114 64.016 2.598 1.00 0.00 WT1 H ATOM 12739 OH2 TIP3 3587 67.076 72.124 41.750 1.00 0.00 WT1 O ATOM 12740 H1 TIP3 3587 66.647 72.137 42.605 1.00 0.00 WT1 H ATOM 12741 H2 TIP3 3587 67.614 71.332 41.764 1.00 0.00 WT1 H ATOM 12742 OH2 TIP3 3588 47.566 2.294 15.228 1.00 0.00 WT1 O ATOM 12743 H1 TIP3 3588 47.240 2.840 14.512 1.00 0.00 WT1 H ATOM 12744 H2 TIP3 3588 47.309 1.404 14.988 1.00 0.00 WT1 H ATOM 12745 OH2 TIP3 3589 53.396 81.298 -6.497 1.00 0.00 WT1 O ATOM 12746 H1 TIP3 3589 54.173 80.839 -6.181 1.00 0.00 WT1 H ATOM 12747 H2 TIP3 3589 53.315 81.031 -7.413 1.00 0.00 WT1 H ATOM 12748 OH2 TIP3 3590 43.874 32.293 58.523 1.00 0.00 WT1 O ATOM 12749 H1 TIP3 3590 43.516 33.120 58.199 1.00 0.00 WT1 H ATOM 12750 H2 TIP3 3590 44.355 32.533 59.315 1.00 0.00 WT1 H ATOM 12751 OH2 TIP3 3591 58.575 39.435 -13.680 1.00 0.00 WT1 O ATOM 12752 H1 TIP3 3591 57.643 39.639 -13.752 1.00 0.00 WT1 H ATOM 12753 H2 TIP3 3591 58.660 38.998 -12.833 1.00 0.00 WT1 H ATOM 12754 OH2 TIP3 3592 20.903 96.031 -16.701 1.00 0.00 WT1 O ATOM 12755 H1 TIP3 3592 21.697 96.136 -16.177 1.00 0.00 WT1 H ATOM 12756 H2 TIP3 3592 20.547 96.916 -16.777 1.00 0.00 WT1 H ATOM 12757 OH2 TIP3 3593 59.478 90.607 52.420 1.00 0.00 WT1 O ATOM 12758 H1 TIP3 3593 59.826 90.680 51.531 1.00 0.00 WT1 H ATOM 12759 H2 TIP3 3593 59.644 91.464 52.813 1.00 0.00 WT1 H ATOM 12760 OH2 TIP3 3594 62.074 80.273 9.506 1.00 0.00 WT1 O ATOM 12761 H1 TIP3 3594 62.649 80.700 8.872 1.00 0.00 WT1 H ATOM 12762 H2 TIP3 3594 62.275 79.341 9.423 1.00 0.00 WT1 H ATOM 12763 OH2 TIP3 3595 65.586 13.443 14.590 1.00 0.00 WT1 O ATOM 12764 H1 TIP3 3595 64.746 13.421 14.131 1.00 0.00 WT1 H ATOM 12765 H2 TIP3 3595 65.385 13.838 15.438 1.00 0.00 WT1 H ATOM 12766 OH2 TIP3 3596 31.448 23.357 -11.432 1.00 0.00 WT1 O ATOM 12767 H1 TIP3 3596 30.936 22.596 -11.706 1.00 0.00 WT1 H ATOM 12768 H2 TIP3 3596 31.208 23.491 -10.516 1.00 0.00 WT1 H ATOM 12769 OH2 TIP3 3597 59.064 88.279 6.963 1.00 0.00 WT1 O ATOM 12770 H1 TIP3 3597 59.300 88.016 7.853 1.00 0.00 WT1 H ATOM 12771 H2 TIP3 3597 58.216 87.863 6.807 1.00 0.00 WT1 H ATOM 12772 OH2 TIP3 3598 23.673 92.803 13.908 1.00 0.00 WT1 O ATOM 12773 H1 TIP3 3598 23.438 92.006 14.383 1.00 0.00 WT1 H ATOM 12774 H2 TIP3 3598 24.563 93.002 14.198 1.00 0.00 WT1 H ATOM 12775 OH2 TIP3 3599 62.335 8.938 -7.719 1.00 0.00 WT1 O ATOM 12776 H1 TIP3 3599 61.487 9.164 -7.337 1.00 0.00 WT1 H ATOM 12777 H2 TIP3 3599 62.306 7.987 -7.822 1.00 0.00 WT1 H ATOM 12778 OH2 TIP3 3602 31.216 89.214 7.448 1.00 0.00 WT1 O ATOM 12779 H1 TIP3 3602 31.367 88.270 7.499 1.00 0.00 WT1 H ATOM 12780 H2 TIP3 3602 30.620 89.401 8.173 1.00 0.00 WT1 H ATOM 12781 OH2 TIP3 3603 46.834 88.773 -12.146 1.00 0.00 WT1 O ATOM 12782 H1 TIP3 3603 46.102 89.374 -12.010 1.00 0.00 WT1 H ATOM 12783 H2 TIP3 3603 47.399 89.221 -12.776 1.00 0.00 WT1 H ATOM 12784 OH2 TIP3 3604 86.892 90.899 12.272 1.00 0.00 WT1 O ATOM 12785 H1 TIP3 3604 86.107 90.638 11.790 1.00 0.00 WT1 H ATOM 12786 H2 TIP3 3604 86.580 91.086 13.157 1.00 0.00 WT1 H ATOM 12787 OH2 TIP3 3606 68.832 76.683 45.231 1.00 0.00 WT1 O ATOM 12788 H1 TIP3 3606 68.627 75.762 45.071 1.00 0.00 WT1 H ATOM 12789 H2 TIP3 3606 69.197 76.996 44.403 1.00 0.00 WT1 H ATOM 12790 OH2 TIP3 3607 33.794 60.842 29.920 1.00 0.00 WT1 O ATOM 12791 H1 TIP3 3607 34.544 60.508 30.412 1.00 0.00 WT1 H ATOM 12792 H2 TIP3 3607 34.089 61.686 29.578 1.00 0.00 WT1 H ATOM 12793 OH2 TIP3 3608 39.610 91.214 38.452 1.00 0.00 WT1 O ATOM 12794 H1 TIP3 3608 39.049 91.204 39.228 1.00 0.00 WT1 H ATOM 12795 H2 TIP3 3608 39.822 90.293 38.297 1.00 0.00 WT1 H ATOM 12796 OH2 TIP3 3609 67.967 7.971 22.393 1.00 0.00 WT1 O ATOM 12797 H1 TIP3 3609 68.125 7.168 22.890 1.00 0.00 WT1 H ATOM 12798 H2 TIP3 3609 68.263 7.766 21.506 1.00 0.00 WT1 H ATOM 12799 OH2 TIP3 3610 62.165 52.370 -1.564 1.00 0.00 WT1 O ATOM 12800 H1 TIP3 3610 61.704 52.718 -0.801 1.00 0.00 WT1 H ATOM 12801 H2 TIP3 3610 61.541 52.463 -2.284 1.00 0.00 WT1 H ATOM 12802 OH2 TIP3 3611 29.473 44.472 31.740 1.00 0.00 WT1 O ATOM 12803 H1 TIP3 3611 29.075 43.711 31.316 1.00 0.00 WT1 H ATOM 12804 H2 TIP3 3611 30.413 44.295 31.717 1.00 0.00 WT1 H ATOM 12805 OH2 TIP3 3612 46.825 15.993 36.818 1.00 0.00 WT1 O ATOM 12806 H1 TIP3 3612 46.254 16.393 36.161 1.00 0.00 WT1 H ATOM 12807 H2 TIP3 3612 46.674 16.507 37.612 1.00 0.00 WT1 H ATOM 12808 OH2 TIP3 3613 23.024 68.751 57.898 1.00 0.00 WT1 O ATOM 12809 H1 TIP3 3613 22.678 68.834 57.009 1.00 0.00 WT1 H ATOM 12810 H2 TIP3 3613 23.932 69.045 57.830 1.00 0.00 WT1 H ATOM 12811 OH2 TIP3 3614 82.907 25.736 1.854 1.00 0.00 WT1 O ATOM 12812 H1 TIP3 3614 81.994 25.905 1.618 1.00 0.00 WT1 H ATOM 12813 H2 TIP3 3614 83.416 26.218 1.202 1.00 0.00 WT1 H ATOM 12814 OH2 TIP3 3615 38.465 48.359 3.727 1.00 0.00 WT1 O ATOM 12815 H1 TIP3 3615 37.942 47.595 3.484 1.00 0.00 WT1 H ATOM 12816 H2 TIP3 3615 38.498 48.333 4.683 1.00 0.00 WT1 H ATOM 12817 OH2 TIP3 3616 62.693 80.270 16.317 1.00 0.00 WT1 O ATOM 12818 H1 TIP3 3616 62.772 79.322 16.421 1.00 0.00 WT1 H ATOM 12819 H2 TIP3 3616 62.094 80.382 15.578 1.00 0.00 WT1 H ATOM 12820 OH2 TIP3 3618 32.997 6.050 2.681 1.00 0.00 WT1 O ATOM 12821 H1 TIP3 3618 32.734 6.476 3.497 1.00 0.00 WT1 H ATOM 12822 H2 TIP3 3618 33.316 6.764 2.129 1.00 0.00 WT1 H ATOM 12823 OH2 TIP3 3619 83.518 3.845 -11.395 1.00 0.00 WT1 O ATOM 12824 H1 TIP3 3619 83.710 3.701 -12.322 1.00 0.00 WT1 H ATOM 12825 H2 TIP3 3619 82.662 3.438 -11.261 1.00 0.00 WT1 H ATOM 12826 OH2 TIP3 3620 67.772 56.525 6.228 1.00 0.00 WT1 O ATOM 12827 H1 TIP3 3620 68.457 57.148 6.471 1.00 0.00 WT1 H ATOM 12828 H2 TIP3 3620 67.731 55.913 6.963 1.00 0.00 WT1 H ATOM 12829 OH2 TIP3 3621 27.302 94.596 38.202 1.00 0.00 WT1 O ATOM 12830 H1 TIP3 3621 27.661 93.913 38.769 1.00 0.00 WT1 H ATOM 12831 H2 TIP3 3621 28.067 95.093 37.913 1.00 0.00 WT1 H ATOM 12832 OH2 TIP3 3622 37.696 54.102 8.246 1.00 0.00 WT1 O ATOM 12833 H1 TIP3 3622 38.161 53.272 8.142 1.00 0.00 WT1 H ATOM 12834 H2 TIP3 3622 37.528 54.167 9.187 1.00 0.00 WT1 H ATOM 12835 OH2 TIP3 3623 68.299 66.796 64.681 1.00 0.00 WT1 O ATOM 12836 H1 TIP3 3623 68.641 65.918 64.850 1.00 0.00 WT1 H ATOM 12837 H2 TIP3 3623 67.903 67.063 65.510 1.00 0.00 WT1 H ATOM 12838 OH2 TIP3 3626 40.438 46.033 5.816 1.00 0.00 WT1 O ATOM 12839 H1 TIP3 3626 41.329 46.381 5.763 1.00 0.00 WT1 H ATOM 12840 H2 TIP3 3626 39.920 46.754 6.174 1.00 0.00 WT1 H ATOM 12841 OH2 TIP3 3627 48.616 39.270 13.531 1.00 0.00 WT1 O ATOM 12842 H1 TIP3 3627 48.827 38.394 13.855 1.00 0.00 WT1 H ATOM 12843 H2 TIP3 3627 48.064 39.651 14.214 1.00 0.00 WT1 H ATOM 12844 OH2 TIP3 3629 69.395 33.382 -16.870 1.00 0.00 WT1 O ATOM 12845 H1 TIP3 3629 69.512 32.443 -17.010 1.00 0.00 WT1 H ATOM 12846 H2 TIP3 3629 68.573 33.453 -16.385 1.00 0.00 WT1 H ATOM 12847 OH2 TIP3 3630 30.150 93.876 64.590 1.00 0.00 WT1 O ATOM 12848 H1 TIP3 3630 29.250 93.848 64.913 1.00 0.00 WT1 H ATOM 12849 H2 TIP3 3630 30.587 93.149 65.033 1.00 0.00 WT1 H ATOM 12850 OH2 TIP3 3631 27.325 75.969 28.908 1.00 0.00 WT1 O ATOM 12851 H1 TIP3 3631 27.606 75.286 28.299 1.00 0.00 WT1 H ATOM 12852 H2 TIP3 3631 26.498 75.646 29.266 1.00 0.00 WT1 H ATOM 12853 OH2 TIP3 3632 29.144 33.323 18.781 1.00 0.00 WT1 O ATOM 12854 H1 TIP3 3632 28.551 32.891 18.167 1.00 0.00 WT1 H ATOM 12855 H2 TIP3 3632 29.917 33.537 18.258 1.00 0.00 WT1 H ATOM 12856 OH2 TIP3 3633 75.566 90.368 61.274 1.00 0.00 WT1 O ATOM 12857 H1 TIP3 3633 75.351 89.845 60.501 1.00 0.00 WT1 H ATOM 12858 H2 TIP3 3633 75.422 91.273 60.998 1.00 0.00 WT1 H ATOM 12859 OH2 TIP3 3634 69.521 83.571 30.098 1.00 0.00 WT1 O ATOM 12860 H1 TIP3 3634 70.030 84.110 29.492 1.00 0.00 WT1 H ATOM 12861 H2 TIP3 3634 68.789 84.129 30.360 1.00 0.00 WT1 H ATOM 12862 OH2 TIP3 3635 69.161 68.527 -11.078 1.00 0.00 WT1 O ATOM 12863 H1 TIP3 3635 69.956 68.018 -10.916 1.00 0.00 WT1 H ATOM 12864 H2 TIP3 3635 68.514 68.159 -10.476 1.00 0.00 WT1 H ATOM 12865 OH2 TIP3 3636 83.319 27.838 35.082 1.00 0.00 WT1 O ATOM 12866 H1 TIP3 3636 83.896 28.587 35.235 1.00 0.00 WT1 H ATOM 12867 H2 TIP3 3636 82.843 28.062 34.282 1.00 0.00 WT1 H ATOM 12868 OH2 TIP3 3637 27.632 95.983 -17.259 1.00 0.00 WT1 O ATOM 12869 H1 TIP3 3637 26.708 96.173 -17.102 1.00 0.00 WT1 H ATOM 12870 H2 TIP3 3637 27.846 95.295 -16.629 1.00 0.00 WT1 H ATOM 12871 OH2 TIP3 3638 51.362 43.168 36.098 1.00 0.00 WT1 O ATOM 12872 H1 TIP3 3638 51.331 43.986 36.593 1.00 0.00 WT1 H ATOM 12873 H2 TIP3 3638 51.004 43.393 35.239 1.00 0.00 WT1 H ATOM 12874 OH2 TIP3 3639 46.763 89.184 37.356 1.00 0.00 WT1 O ATOM 12875 H1 TIP3 3639 46.677 88.251 37.161 1.00 0.00 WT1 H ATOM 12876 H2 TIP3 3639 46.261 89.620 36.668 1.00 0.00 WT1 H ATOM 12877 OH2 TIP3 3640 73.757 0.829 -6.441 1.00 0.00 WT1 O ATOM 12878 H1 TIP3 3640 73.407 1.666 -6.136 1.00 0.00 WT1 H ATOM 12879 H2 TIP3 3640 74.703 0.903 -6.313 1.00 0.00 WT1 H ATOM 12880 OH2 TIP3 3641 66.669 72.918 28.714 1.00 0.00 WT1 O ATOM 12881 H1 TIP3 3641 66.352 72.016 28.669 1.00 0.00 WT1 H ATOM 12882 H2 TIP3 3641 66.141 73.391 28.070 1.00 0.00 WT1 H ATOM 12883 OH2 TIP3 3642 50.087 82.002 20.551 1.00 0.00 WT1 O ATOM 12884 H1 TIP3 3642 49.901 81.866 21.480 1.00 0.00 WT1 H ATOM 12885 H2 TIP3 3642 49.226 82.000 20.132 1.00 0.00 WT1 H ATOM 12886 OH2 TIP3 3643 64.220 6.347 59.053 1.00 0.00 WT1 O ATOM 12887 H1 TIP3 3643 64.571 6.768 58.268 1.00 0.00 WT1 H ATOM 12888 H2 TIP3 3643 63.349 6.731 59.161 1.00 0.00 WT1 H ATOM 12889 OH2 TIP3 3646 33.999 8.033 35.066 1.00 0.00 WT1 O ATOM 12890 H1 TIP3 3646 33.973 8.365 35.963 1.00 0.00 WT1 H ATOM 12891 H2 TIP3 3646 34.932 7.949 34.869 1.00 0.00 WT1 H ATOM 12892 OH2 TIP3 3647 50.910 13.851 37.996 1.00 0.00 WT1 O ATOM 12893 H1 TIP3 3647 50.090 13.976 37.518 1.00 0.00 WT1 H ATOM 12894 H2 TIP3 3647 50.637 13.584 38.874 1.00 0.00 WT1 H ATOM 12895 OH2 TIP3 3648 52.569 83.474 12.331 1.00 0.00 WT1 O ATOM 12896 H1 TIP3 3648 51.722 83.898 12.473 1.00 0.00 WT1 H ATOM 12897 H2 TIP3 3648 52.434 82.569 12.611 1.00 0.00 WT1 H ATOM 12898 OH2 TIP3 3649 36.251 24.363 56.477 1.00 0.00 WT1 O ATOM 12899 H1 TIP3 3649 36.890 23.701 56.744 1.00 0.00 WT1 H ATOM 12900 H2 TIP3 3649 36.753 25.176 56.432 1.00 0.00 WT1 H ATOM 12901 OH2 TIP3 3650 30.860 76.538 44.966 1.00 0.00 WT1 O ATOM 12902 H1 TIP3 3650 30.250 77.145 45.385 1.00 0.00 WT1 H ATOM 12903 H2 TIP3 3650 30.309 75.997 44.401 1.00 0.00 WT1 H ATOM 12904 OH2 TIP3 3651 29.709 16.780 63.019 1.00 0.00 WT1 O ATOM 12905 H1 TIP3 3651 28.920 17.029 62.538 1.00 0.00 WT1 H ATOM 12906 H2 TIP3 3651 29.667 15.825 63.070 1.00 0.00 WT1 H ATOM 12907 OH2 TIP3 3652 34.252 12.067 42.555 1.00 0.00 WT1 O ATOM 12908 H1 TIP3 3652 33.516 11.484 42.368 1.00 0.00 WT1 H ATOM 12909 H2 TIP3 3652 34.673 12.202 41.706 1.00 0.00 WT1 H ATOM 12910 OH2 TIP3 3653 55.204 4.115 -10.243 1.00 0.00 WT1 O ATOM 12911 H1 TIP3 3653 56.111 4.098 -10.546 1.00 0.00 WT1 H ATOM 12912 H2 TIP3 3653 54.817 3.315 -10.601 1.00 0.00 WT1 H ATOM 12913 OH2 TIP3 3654 81.222 7.383 -10.736 1.00 0.00 WT1 O ATOM 12914 H1 TIP3 3654 82.012 6.975 -10.381 1.00 0.00 WT1 H ATOM 12915 H2 TIP3 3654 81.537 8.173 -11.175 1.00 0.00 WT1 H ATOM 12916 OH2 TIP3 3655 38.633 43.659 44.190 1.00 0.00 WT1 O ATOM 12917 H1 TIP3 3655 39.081 44.244 44.801 1.00 0.00 WT1 H ATOM 12918 H2 TIP3 3655 37.794 43.471 44.610 1.00 0.00 WT1 H ATOM 12919 OH2 TIP3 3656 65.322 85.970 47.648 1.00 0.00 WT1 O ATOM 12920 H1 TIP3 3656 64.391 86.043 47.856 1.00 0.00 WT1 H ATOM 12921 H2 TIP3 3656 65.357 85.346 46.923 1.00 0.00 WT1 H ATOM 12922 OH2 TIP3 3657 30.514 12.588 59.735 1.00 0.00 WT1 O ATOM 12923 H1 TIP3 3657 29.961 13.188 60.236 1.00 0.00 WT1 H ATOM 12924 H2 TIP3 3657 30.172 12.635 58.843 1.00 0.00 WT1 H ATOM 12925 OH2 TIP3 3658 62.702 91.750 22.341 1.00 0.00 WT1 O ATOM 12926 H1 TIP3 3658 62.132 91.526 21.605 1.00 0.00 WT1 H ATOM 12927 H2 TIP3 3658 63.154 90.933 22.552 1.00 0.00 WT1 H ATOM 12928 OH2 TIP3 3659 88.682 76.429 35.699 1.00 0.00 WT1 O ATOM 12929 H1 TIP3 3659 88.808 75.534 36.016 1.00 0.00 WT1 H ATOM 12930 H2 TIP3 3659 88.720 76.970 36.488 1.00 0.00 WT1 H ATOM 12931 OH2 TIP3 3660 26.850 62.522 -13.831 1.00 0.00 WT1 O ATOM 12932 H1 TIP3 3660 26.873 63.054 -14.626 1.00 0.00 WT1 H ATOM 12933 H2 TIP3 3660 26.871 61.618 -14.145 1.00 0.00 WT1 H ATOM 12934 OH2 TIP3 3661 37.718 14.282 28.714 1.00 0.00 WT1 O ATOM 12935 H1 TIP3 3661 37.991 13.398 28.470 1.00 0.00 WT1 H ATOM 12936 H2 TIP3 3661 37.364 14.655 27.907 1.00 0.00 WT1 H ATOM 12937 OH2 TIP3 3662 24.342 4.931 34.693 1.00 0.00 WT1 O ATOM 12938 H1 TIP3 3662 25.183 4.475 34.686 1.00 0.00 WT1 H ATOM 12939 H2 TIP3 3662 24.563 5.846 34.521 1.00 0.00 WT1 H ATOM 12940 OH2 TIP3 3663 61.447 12.610 51.128 1.00 0.00 WT1 O ATOM 12941 H1 TIP3 3663 61.619 12.641 50.187 1.00 0.00 WT1 H ATOM 12942 H2 TIP3 3663 60.749 13.251 51.265 1.00 0.00 WT1 H ATOM 12943 OH2 TIP3 3664 35.200 4.706 14.693 1.00 0.00 WT1 O ATOM 12944 H1 TIP3 3664 34.289 5.002 14.706 1.00 0.00 WT1 H ATOM 12945 H2 TIP3 3664 35.700 5.454 15.018 1.00 0.00 WT1 H ATOM 12946 OH2 TIP3 3665 51.032 43.512 50.754 1.00 0.00 WT1 O ATOM 12947 H1 TIP3 3665 50.323 42.902 50.554 1.00 0.00 WT1 H ATOM 12948 H2 TIP3 3665 50.775 44.328 50.326 1.00 0.00 WT1 H ATOM 12949 OH2 TIP3 3666 86.301 30.221 -6.584 1.00 0.00 WT1 O ATOM 12950 H1 TIP3 3666 85.701 29.475 -6.571 1.00 0.00 WT1 H ATOM 12951 H2 TIP3 3666 86.667 30.251 -5.700 1.00 0.00 WT1 H ATOM 12952 OH2 TIP3 3668 87.466 7.918 11.184 1.00 0.00 WT1 O ATOM 12953 H1 TIP3 3668 87.453 8.756 11.647 1.00 0.00 WT1 H ATOM 12954 H2 TIP3 3668 88.395 7.705 11.099 1.00 0.00 WT1 H ATOM 12955 OH2 TIP3 3669 78.288 89.790 0.480 1.00 0.00 WT1 O ATOM 12956 H1 TIP3 3669 78.247 90.660 0.877 1.00 0.00 WT1 H ATOM 12957 H2 TIP3 3669 77.752 89.240 1.052 1.00 0.00 WT1 H ATOM 12958 OH2 TIP3 3670 87.366 92.725 45.642 1.00 0.00 WT1 O ATOM 12959 H1 TIP3 3670 86.534 92.783 45.172 1.00 0.00 WT1 H ATOM 12960 H2 TIP3 3670 87.286 93.362 46.352 1.00 0.00 WT1 H ATOM 12961 OH2 TIP3 3672 49.068 20.344 35.860 1.00 0.00 WT1 O ATOM 12962 H1 TIP3 3672 49.621 20.508 35.097 1.00 0.00 WT1 H ATOM 12963 H2 TIP3 3672 48.941 19.396 35.865 1.00 0.00 WT1 H ATOM 12964 OH2 TIP3 3673 85.637 79.069 -10.104 1.00 0.00 WT1 O ATOM 12965 H1 TIP3 3673 86.345 78.500 -9.803 1.00 0.00 WT1 H ATOM 12966 H2 TIP3 3673 85.256 78.604 -10.850 1.00 0.00 WT1 H ATOM 12967 OH2 TIP3 3674 50.087 78.560 10.313 1.00 0.00 WT1 O ATOM 12968 H1 TIP3 3674 49.138 78.473 10.223 1.00 0.00 WT1 H ATOM 12969 H2 TIP3 3674 50.425 77.678 10.159 1.00 0.00 WT1 H ATOM 12970 OH2 TIP3 3675 82.606 5.574 59.702 1.00 0.00 WT1 O ATOM 12971 H1 TIP3 3675 83.183 6.223 59.300 1.00 0.00 WT1 H ATOM 12972 H2 TIP3 3675 82.968 5.441 60.578 1.00 0.00 WT1 H ATOM 12973 OH2 TIP3 3676 62.690 11.803 3.180 1.00 0.00 WT1 O ATOM 12974 H1 TIP3 3676 61.891 11.752 3.704 1.00 0.00 WT1 H ATOM 12975 H2 TIP3 3676 62.679 12.687 2.812 1.00 0.00 WT1 H ATOM 12976 OH2 TIP3 3677 75.057 27.439 47.624 1.00 0.00 WT1 O ATOM 12977 H1 TIP3 3677 74.425 27.437 46.905 1.00 0.00 WT1 H ATOM 12978 H2 TIP3 3677 74.812 28.197 48.156 1.00 0.00 WT1 H ATOM 12979 OH2 TIP3 3678 73.971 21.982 -0.404 1.00 0.00 WT1 O ATOM 12980 H1 TIP3 3678 73.896 22.541 -1.177 1.00 0.00 WT1 H ATOM 12981 H2 TIP3 3678 74.914 21.901 -0.257 1.00 0.00 WT1 H ATOM 12982 OH2 TIP3 3679 68.258 92.932 31.362 1.00 0.00 WT1 O ATOM 12983 H1 TIP3 3679 68.349 92.484 30.521 1.00 0.00 WT1 H ATOM 12984 H2 TIP3 3679 67.326 92.867 31.570 1.00 0.00 WT1 H ATOM 12985 OH2 TIP3 3680 63.967 10.361 7.591 1.00 0.00 WT1 O ATOM 12986 H1 TIP3 3680 64.457 10.615 8.373 1.00 0.00 WT1 H ATOM 12987 H2 TIP3 3680 64.313 9.498 7.361 1.00 0.00 WT1 H ATOM 12988 OH2 TIP3 3681 50.493 3.185 43.911 1.00 0.00 WT1 O ATOM 12989 H1 TIP3 3681 50.712 2.257 43.990 1.00 0.00 WT1 H ATOM 12990 H2 TIP3 3681 51.141 3.632 44.457 1.00 0.00 WT1 H ATOM 12991 OH2 TIP3 3682 41.233 18.399 24.203 1.00 0.00 WT1 O ATOM 12992 H1 TIP3 3682 40.662 17.657 24.006 1.00 0.00 WT1 H ATOM 12993 H2 TIP3 3682 41.940 18.335 23.561 1.00 0.00 WT1 H ATOM 12994 OH2 TIP3 3683 23.371 26.150 -5.407 1.00 0.00 WT1 O ATOM 12995 H1 TIP3 3683 23.671 27.027 -5.166 1.00 0.00 WT1 H ATOM 12996 H2 TIP3 3683 23.951 25.885 -6.120 1.00 0.00 WT1 H ATOM 12997 OH2 TIP3 3685 88.599 52.265 -8.964 1.00 0.00 WT1 O ATOM 12998 H1 TIP3 3685 88.667 52.117 -9.907 1.00 0.00 WT1 H ATOM 12999 H2 TIP3 3685 87.702 52.571 -8.832 1.00 0.00 WT1 H ATOM 13000 OH2 TIP3 3686 74.151 22.990 14.956 1.00 0.00 WT1 O ATOM 13001 H1 TIP3 3686 73.456 22.334 14.900 1.00 0.00 WT1 H ATOM 13002 H2 TIP3 3686 74.822 22.681 14.348 1.00 0.00 WT1 H ATOM 13003 OH2 TIP3 3687 77.500 33.611 51.111 1.00 0.00 WT1 O ATOM 13004 H1 TIP3 3687 78.427 33.595 50.871 1.00 0.00 WT1 H ATOM 13005 H2 TIP3 3687 77.038 33.407 50.298 1.00 0.00 WT1 H ATOM 13006 OH2 TIP3 3689 78.267 40.423 20.744 1.00 0.00 WT1 O ATOM 13007 H1 TIP3 3689 79.031 40.527 20.176 1.00 0.00 WT1 H ATOM 13008 H2 TIP3 3689 77.519 40.594 20.172 1.00 0.00 WT1 H ATOM 13009 OH2 TIP3 3691 84.526 45.584 45.754 1.00 0.00 WT1 O ATOM 13010 H1 TIP3 3691 83.871 45.730 45.072 1.00 0.00 WT1 H ATOM 13011 H2 TIP3 3691 84.048 45.143 46.456 1.00 0.00 WT1 H ATOM 13012 OH2 TIP3 3692 45.626 75.433 66.123 1.00 0.00 WT1 O ATOM 13013 H1 TIP3 3692 44.777 75.831 66.318 1.00 0.00 WT1 H ATOM 13014 H2 TIP3 3692 45.505 74.503 66.314 1.00 0.00 WT1 H ATOM 13015 OH2 TIP3 3693 55.878 8.866 63.743 1.00 0.00 WT1 O ATOM 13016 H1 TIP3 3693 56.297 8.169 64.248 1.00 0.00 WT1 H ATOM 13017 H2 TIP3 3693 56.078 8.655 62.831 1.00 0.00 WT1 H ATOM 13018 OH2 TIP3 3694 25.227 5.297 -4.794 1.00 0.00 WT1 O ATOM 13019 H1 TIP3 3694 25.612 6.072 -4.385 1.00 0.00 WT1 H ATOM 13020 H2 TIP3 3694 24.297 5.508 -4.880 1.00 0.00 WT1 H ATOM 13021 OH2 TIP3 3695 62.813 50.790 -8.889 1.00 0.00 WT1 O ATOM 13022 H1 TIP3 3695 63.140 50.184 -8.224 1.00 0.00 WT1 H ATOM 13023 H2 TIP3 3695 62.499 50.225 -9.594 1.00 0.00 WT1 H ATOM 13024 OH2 TIP3 3696 43.584 5.501 60.988 1.00 0.00 WT1 O ATOM 13025 H1 TIP3 3696 44.012 4.670 60.780 1.00 0.00 WT1 H ATOM 13026 H2 TIP3 3696 43.114 5.736 60.188 1.00 0.00 WT1 H ATOM 13027 OH2 TIP3 3697 63.998 18.384 32.751 1.00 0.00 WT1 O ATOM 13028 H1 TIP3 3697 63.988 17.513 33.147 1.00 0.00 WT1 H ATOM 13029 H2 TIP3 3697 64.753 18.372 32.163 1.00 0.00 WT1 H ATOM 13030 OH2 TIP3 3698 38.936 41.422 39.111 1.00 0.00 WT1 O ATOM 13031 H1 TIP3 3698 39.835 41.188 38.881 1.00 0.00 WT1 H ATOM 13032 H2 TIP3 3698 38.552 41.734 38.291 1.00 0.00 WT1 H ATOM 13033 OH2 TIP3 3699 21.681 17.730 42.564 1.00 0.00 WT1 O ATOM 13034 H1 TIP3 3699 20.816 18.134 42.636 1.00 0.00 WT1 H ATOM 13035 H2 TIP3 3699 21.667 17.018 43.204 1.00 0.00 WT1 H ATOM 13036 OH2 TIP3 3700 24.144 69.924 -5.775 1.00 0.00 WT1 O ATOM 13037 H1 TIP3 3700 24.209 69.072 -5.344 1.00 0.00 WT1 H ATOM 13038 H2 TIP3 3700 23.698 69.741 -6.602 1.00 0.00 WT1 H ATOM 13039 OH2 TIP3 3701 57.305 22.603 10.627 1.00 0.00 WT1 O ATOM 13040 H1 TIP3 3701 57.196 23.453 10.201 1.00 0.00 WT1 H ATOM 13041 H2 TIP3 3701 57.355 22.807 11.561 1.00 0.00 WT1 H ATOM 13042 OH2 TIP3 3702 55.945 13.443 58.341 1.00 0.00 WT1 O ATOM 13043 H1 TIP3 3702 56.019 12.710 58.952 1.00 0.00 WT1 H ATOM 13044 H2 TIP3 3702 55.268 13.172 57.721 1.00 0.00 WT1 H ATOM 13045 OH2 TIP3 3703 67.324 19.445 27.663 1.00 0.00 WT1 O ATOM 13046 H1 TIP3 3703 66.899 18.763 27.143 1.00 0.00 WT1 H ATOM 13047 H2 TIP3 3703 68.072 19.721 27.132 1.00 0.00 WT1 H ATOM 13048 OH2 TIP3 3704 64.771 29.007 1.737 1.00 0.00 WT1 O ATOM 13049 H1 TIP3 3704 64.767 28.657 2.628 1.00 0.00 WT1 H ATOM 13050 H2 TIP3 3704 64.132 29.719 1.756 1.00 0.00 WT1 H ATOM 13051 OH2 TIP3 3705 75.032 47.807 22.281 1.00 0.00 WT1 O ATOM 13052 H1 TIP3 3705 74.246 48.195 22.667 1.00 0.00 WT1 H ATOM 13053 H2 TIP3 3705 74.750 47.500 21.420 1.00 0.00 WT1 H ATOM 13054 OH2 TIP3 3706 36.531 4.772 25.166 1.00 0.00 WT1 O ATOM 13055 H1 TIP3 3706 37.307 5.111 25.614 1.00 0.00 WT1 H ATOM 13056 H2 TIP3 3706 36.716 3.842 25.036 1.00 0.00 WT1 H ATOM 13057 OH2 TIP3 3708 85.903 2.224 0.326 1.00 0.00 WT1 O ATOM 13058 H1 TIP3 3708 85.007 2.148 0.654 1.00 0.00 WT1 H ATOM 13059 H2 TIP3 3708 86.378 2.671 1.026 1.00 0.00 WT1 H ATOM 13060 OH2 TIP3 3710 83.679 7.354 42.733 1.00 0.00 WT1 O ATOM 13061 H1 TIP3 3710 83.077 7.246 43.469 1.00 0.00 WT1 H ATOM 13062 H2 TIP3 3710 83.437 6.659 42.121 1.00 0.00 WT1 H ATOM 13063 OH2 TIP3 3711 42.625 50.653 49.673 1.00 0.00 WT1 O ATOM 13064 H1 TIP3 3711 42.825 50.046 50.385 1.00 0.00 WT1 H ATOM 13065 H2 TIP3 3711 43.431 50.693 49.158 1.00 0.00 WT1 H ATOM 13066 OH2 TIP3 3712 64.470 3.901 54.878 1.00 0.00 WT1 O ATOM 13067 H1 TIP3 3712 64.567 2.951 54.816 1.00 0.00 WT1 H ATOM 13068 H2 TIP3 3712 64.031 4.044 55.716 1.00 0.00 WT1 H ATOM 13069 OH2 TIP3 3715 29.014 7.343 3.600 1.00 0.00 WT1 O ATOM 13070 H1 TIP3 3715 28.256 7.647 3.100 1.00 0.00 WT1 H ATOM 13071 H2 TIP3 3715 28.741 6.501 3.964 1.00 0.00 WT1 H ATOM 13072 OH2 TIP3 3717 38.955 68.667 -10.695 1.00 0.00 WT1 O ATOM 13073 H1 TIP3 3717 38.519 67.853 -10.443 1.00 0.00 WT1 H ATOM 13074 H2 TIP3 3717 39.465 68.915 -9.924 1.00 0.00 WT1 H ATOM 13075 OH2 TIP3 3718 39.519 72.510 1.200 1.00 0.00 WT1 O ATOM 13076 H1 TIP3 3718 38.980 72.103 1.878 1.00 0.00 WT1 H ATOM 13077 H2 TIP3 3718 39.873 71.774 0.701 1.00 0.00 WT1 H ATOM 13078 OH2 TIP3 3719 38.988 33.237 0.588 1.00 0.00 WT1 O ATOM 13079 H1 TIP3 3719 39.913 32.991 0.567 1.00 0.00 WT1 H ATOM 13080 H2 TIP3 3719 38.620 32.857 -0.209 1.00 0.00 WT1 H ATOM 13081 OH2 TIP3 3720 81.150 17.397 0.651 1.00 0.00 WT1 O ATOM 13082 H1 TIP3 3720 81.453 18.296 0.523 1.00 0.00 WT1 H ATOM 13083 H2 TIP3 3720 80.650 17.426 1.467 1.00 0.00 WT1 H ATOM 13084 OH2 TIP3 3721 61.906 43.940 41.789 1.00 0.00 WT1 O ATOM 13085 H1 TIP3 3721 62.398 43.213 41.408 1.00 0.00 WT1 H ATOM 13086 H2 TIP3 3721 60.988 43.709 41.646 1.00 0.00 WT1 H ATOM 13087 OH2 TIP3 3722 31.491 74.564 59.840 1.00 0.00 WT1 O ATOM 13088 H1 TIP3 3722 31.572 73.898 59.157 1.00 0.00 WT1 H ATOM 13089 H2 TIP3 3722 31.716 74.106 60.650 1.00 0.00 WT1 H ATOM 13090 OH2 TIP3 3723 60.014 7.426 19.395 1.00 0.00 WT1 O ATOM 13091 H1 TIP3 3723 60.739 8.000 19.149 1.00 0.00 WT1 H ATOM 13092 H2 TIP3 3723 59.478 7.363 18.605 1.00 0.00 WT1 H ATOM 13093 OH2 TIP3 3724 36.522 16.328 21.738 1.00 0.00 WT1 O ATOM 13094 H1 TIP3 3724 37.429 16.536 21.513 1.00 0.00 WT1 H ATOM 13095 H2 TIP3 3724 35.998 16.847 21.128 1.00 0.00 WT1 H ATOM 13096 OH2 TIP3 3727 87.821 35.848 19.417 1.00 0.00 WT1 O ATOM 13097 H1 TIP3 3727 88.045 36.278 18.592 1.00 0.00 WT1 H ATOM 13098 H2 TIP3 3727 87.052 35.317 19.210 1.00 0.00 WT1 H ATOM 13099 OH2 TIP3 3728 52.255 37.051 -4.090 1.00 0.00 WT1 O ATOM 13100 H1 TIP3 3728 51.611 37.657 -3.725 1.00 0.00 WT1 H ATOM 13101 H2 TIP3 3728 51.820 36.198 -4.072 1.00 0.00 WT1 H ATOM 13102 OH2 TIP3 3729 41.138 55.431 47.649 1.00 0.00 WT1 O ATOM 13103 H1 TIP3 3729 41.842 54.783 47.639 1.00 0.00 WT1 H ATOM 13104 H2 TIP3 3729 41.239 55.909 46.826 1.00 0.00 WT1 H ATOM 13105 OH2 TIP3 3732 78.644 94.425 -0.687 1.00 0.00 WT1 O ATOM 13106 H1 TIP3 3732 78.052 93.983 -0.078 1.00 0.00 WT1 H ATOM 13107 H2 TIP3 3732 78.084 95.034 -1.167 1.00 0.00 WT1 H ATOM 13108 OH2 TIP3 3735 39.393 42.542 36.535 1.00 0.00 WT1 O ATOM 13109 H1 TIP3 3735 39.901 42.094 35.859 1.00 0.00 WT1 H ATOM 13110 H2 TIP3 3735 40.026 43.113 36.971 1.00 0.00 WT1 H ATOM 13111 OH2 TIP3 3736 40.178 84.408 21.106 1.00 0.00 WT1 O ATOM 13112 H1 TIP3 3736 40.379 84.930 21.883 1.00 0.00 WT1 H ATOM 13113 H2 TIP3 3736 40.937 83.836 20.997 1.00 0.00 WT1 H ATOM 13114 OH2 TIP3 3737 89.307 19.262 -8.749 1.00 0.00 WT1 O ATOM 13115 H1 TIP3 3737 90.196 19.123 -8.422 1.00 0.00 WT1 H ATOM 13116 H2 TIP3 3737 88.839 19.657 -8.014 1.00 0.00 WT1 H ATOM 13117 OH2 TIP3 3738 30.240 5.569 64.416 1.00 0.00 WT1 O ATOM 13118 H1 TIP3 3738 30.119 5.756 63.485 1.00 0.00 WT1 H ATOM 13119 H2 TIP3 3738 29.903 4.680 64.528 1.00 0.00 WT1 H ATOM 13120 OH2 TIP3 3739 55.090 26.237 44.265 1.00 0.00 WT1 O ATOM 13121 H1 TIP3 3739 55.281 26.666 43.431 1.00 0.00 WT1 H ATOM 13122 H2 TIP3 3739 55.583 26.740 44.913 1.00 0.00 WT1 H ATOM 13123 OH2 TIP3 3740 36.661 69.115 25.682 1.00 0.00 WT1 O ATOM 13124 H1 TIP3 3740 36.813 68.172 25.626 1.00 0.00 WT1 H ATOM 13125 H2 TIP3 3740 37.477 69.469 26.037 1.00 0.00 WT1 H ATOM 13126 OH2 TIP3 3741 66.940 73.122 47.607 1.00 0.00 WT1 O ATOM 13127 H1 TIP3 3741 67.848 73.307 47.370 1.00 0.00 WT1 H ATOM 13128 H2 TIP3 3741 67.003 72.510 48.340 1.00 0.00 WT1 H ATOM 13129 OH2 TIP3 3742 62.593 35.031 57.298 1.00 0.00 WT1 O ATOM 13130 H1 TIP3 3742 61.703 35.319 57.097 1.00 0.00 WT1 H ATOM 13131 H2 TIP3 3742 62.573 34.083 57.167 1.00 0.00 WT1 H ATOM 13132 OH2 TIP3 3743 86.009 74.439 -9.309 1.00 0.00 WT1 O ATOM 13133 H1 TIP3 3743 85.221 74.979 -9.238 1.00 0.00 WT1 H ATOM 13134 H2 TIP3 3743 86.355 74.401 -8.418 1.00 0.00 WT1 H ATOM 13135 OH2 TIP3 3744 86.424 65.457 14.546 1.00 0.00 WT1 O ATOM 13136 H1 TIP3 3744 87.350 65.603 14.738 1.00 0.00 WT1 H ATOM 13137 H2 TIP3 3744 86.305 65.804 13.662 1.00 0.00 WT1 H ATOM 13138 OH2 TIP3 3745 29.141 22.916 66.579 1.00 0.00 WT1 O ATOM 13139 H1 TIP3 3745 28.428 23.205 66.010 1.00 0.00 WT1 H ATOM 13140 H2 TIP3 3745 28.753 22.883 67.453 1.00 0.00 WT1 H ATOM 13141 OH2 TIP3 3746 66.170 95.706 59.604 1.00 0.00 WT1 O ATOM 13142 H1 TIP3 3746 67.046 95.997 59.352 1.00 0.00 WT1 H ATOM 13143 H2 TIP3 3746 65.689 95.651 58.778 1.00 0.00 WT1 H ATOM 13144 OH2 TIP3 3747 40.566 64.138 13.117 1.00 0.00 WT1 O ATOM 13145 H1 TIP3 3747 40.589 63.829 14.022 1.00 0.00 WT1 H ATOM 13146 H2 TIP3 3747 40.583 63.339 12.590 1.00 0.00 WT1 H ATOM 13147 OH2 TIP3 3750 76.211 74.665 17.296 1.00 0.00 WT1 O ATOM 13148 H1 TIP3 3750 75.291 74.414 17.384 1.00 0.00 WT1 H ATOM 13149 H2 TIP3 3750 76.435 74.441 16.392 1.00 0.00 WT1 H ATOM 13150 OH2 TIP3 3751 31.092 31.083 -4.116 1.00 0.00 WT1 O ATOM 13151 H1 TIP3 3751 31.129 31.801 -3.484 1.00 0.00 WT1 H ATOM 13152 H2 TIP3 3751 30.171 30.823 -4.130 1.00 0.00 WT1 H ATOM 13153 OH2 TIP3 3752 41.075 12.163 9.570 1.00 0.00 WT1 O ATOM 13154 H1 TIP3 3752 40.830 12.187 8.645 1.00 0.00 WT1 H ATOM 13155 H2 TIP3 3752 42.000 12.410 9.579 1.00 0.00 WT1 H ATOM 13156 OH2 TIP3 3753 74.610 34.631 41.865 1.00 0.00 WT1 O ATOM 13157 H1 TIP3 3753 75.268 35.127 42.351 1.00 0.00 WT1 H ATOM 13158 H2 TIP3 3753 74.449 33.855 42.401 1.00 0.00 WT1 H ATOM 13159 OH2 TIP3 3756 60.133 74.542 41.958 1.00 0.00 WT1 O ATOM 13160 H1 TIP3 3756 59.326 74.392 42.450 1.00 0.00 WT1 H ATOM 13161 H2 TIP3 3756 60.542 75.292 42.391 1.00 0.00 WT1 H ATOM 13162 OH2 TIP3 3757 83.284 43.155 -14.722 1.00 0.00 WT1 O ATOM 13163 H1 TIP3 3757 82.908 43.188 -13.843 1.00 0.00 WT1 H ATOM 13164 H2 TIP3 3757 82.734 42.530 -15.195 1.00 0.00 WT1 H ATOM 13165 OH2 TIP3 3758 68.224 7.597 9.345 1.00 0.00 WT1 O ATOM 13166 H1 TIP3 3758 68.402 6.751 8.934 1.00 0.00 WT1 H ATOM 13167 H2 TIP3 3758 67.892 7.376 10.215 1.00 0.00 WT1 H ATOM 13168 OH2 TIP3 3759 62.112 81.449 -12.033 1.00 0.00 WT1 O ATOM 13169 H1 TIP3 3759 62.024 80.983 -11.202 1.00 0.00 WT1 H ATOM 13170 H2 TIP3 3759 63.035 81.700 -12.072 1.00 0.00 WT1 H ATOM 13171 OH2 TIP3 3760 38.879 30.036 -13.685 1.00 0.00 WT1 O ATOM 13172 H1 TIP3 3760 39.456 29.386 -14.086 1.00 0.00 WT1 H ATOM 13173 H2 TIP3 3760 39.352 30.863 -13.774 1.00 0.00 WT1 H ATOM 13174 OH2 TIP3 3761 31.868 38.775 14.146 1.00 0.00 WT1 O ATOM 13175 H1 TIP3 3761 32.037 38.657 13.211 1.00 0.00 WT1 H ATOM 13176 H2 TIP3 3761 32.501 39.438 14.422 1.00 0.00 WT1 H ATOM 13177 OH2 TIP3 3762 30.233 84.890 -8.932 1.00 0.00 WT1 O ATOM 13178 H1 TIP3 3762 29.277 84.928 -8.914 1.00 0.00 WT1 H ATOM 13179 H2 TIP3 3762 30.482 85.472 -9.650 1.00 0.00 WT1 H ATOM 13180 OH2 TIP3 3763 37.278 88.269 44.082 1.00 0.00 WT1 O ATOM 13181 H1 TIP3 3763 37.646 87.871 44.871 1.00 0.00 WT1 H ATOM 13182 H2 TIP3 3763 37.123 87.531 43.491 1.00 0.00 WT1 H ATOM 13183 OH2 TIP3 3764 45.346 11.716 -4.261 1.00 0.00 WT1 O ATOM 13184 H1 TIP3 3764 44.830 12.472 -4.541 1.00 0.00 WT1 H ATOM 13185 H2 TIP3 3764 45.947 12.066 -3.604 1.00 0.00 WT1 H ATOM 13186 OH2 TIP3 3765 21.360 24.865 -6.871 1.00 0.00 WT1 O ATOM 13187 H1 TIP3 3765 22.045 25.428 -6.512 1.00 0.00 WT1 H ATOM 13188 H2 TIP3 3765 20.779 25.463 -7.341 1.00 0.00 WT1 H ATOM 13189 OH2 TIP3 3768 39.260 66.216 28.316 1.00 0.00 WT1 O ATOM 13190 H1 TIP3 3768 39.093 65.608 27.596 1.00 0.00 WT1 H ATOM 13191 H2 TIP3 3768 40.079 65.909 28.705 1.00 0.00 WT1 H ATOM 13192 OH2 TIP3 3770 55.367 16.131 -3.689 1.00 0.00 WT1 O ATOM 13193 H1 TIP3 3770 56.177 15.702 -3.966 1.00 0.00 WT1 H ATOM 13194 H2 TIP3 3770 55.658 16.895 -3.191 1.00 0.00 WT1 H ATOM 13195 OH2 TIP3 3775 89.753 32.071 65.220 1.00 0.00 WT1 O ATOM 13196 H1 TIP3 3775 90.611 31.960 64.809 1.00 0.00 WT1 H ATOM 13197 H2 TIP3 3775 89.129 31.976 64.501 1.00 0.00 WT1 H ATOM 13198 OH2 TIP3 3776 63.900 56.248 -3.527 1.00 0.00 WT1 O ATOM 13199 H1 TIP3 3776 64.045 55.323 -3.725 1.00 0.00 WT1 H ATOM 13200 H2 TIP3 3776 64.258 56.364 -2.647 1.00 0.00 WT1 H ATOM 13201 OH2 TIP3 3777 61.173 73.172 48.544 1.00 0.00 WT1 O ATOM 13202 H1 TIP3 3777 60.849 73.508 47.708 1.00 0.00 WT1 H ATOM 13203 H2 TIP3 3777 60.976 72.236 48.519 1.00 0.00 WT1 H ATOM 13204 OH2 TIP3 3779 59.138 16.562 61.292 1.00 0.00 WT1 O ATOM 13205 H1 TIP3 3779 59.100 15.995 62.062 1.00 0.00 WT1 H ATOM 13206 H2 TIP3 3779 58.582 16.127 60.646 1.00 0.00 WT1 H ATOM 13207 OH2 TIP3 3780 46.910 49.149 -13.365 1.00 0.00 WT1 O ATOM 13208 H1 TIP3 3780 46.698 50.081 -13.315 1.00 0.00 WT1 H ATOM 13209 H2 TIP3 3780 46.095 48.704 -13.131 1.00 0.00 WT1 H ATOM 13210 OH2 TIP3 3781 29.560 56.668 47.621 1.00 0.00 WT1 O ATOM 13211 H1 TIP3 3781 28.764 56.448 48.104 1.00 0.00 WT1 H ATOM 13212 H2 TIP3 3781 29.514 57.617 47.502 1.00 0.00 WT1 H ATOM 13213 OH2 TIP3 3782 75.525 25.175 14.036 1.00 0.00 WT1 O ATOM 13214 H1 TIP3 3782 75.514 25.890 14.672 1.00 0.00 WT1 H ATOM 13215 H2 TIP3 3782 74.718 24.690 14.206 1.00 0.00 WT1 H ATOM 13216 OH2 TIP3 3783 22.764 28.999 13.564 1.00 0.00 WT1 O ATOM 13217 H1 TIP3 3783 23.584 28.506 13.605 1.00 0.00 WT1 H ATOM 13218 H2 TIP3 3783 22.693 29.418 14.422 1.00 0.00 WT1 H ATOM 13219 OH2 TIP3 3784 83.549 43.932 28.632 1.00 0.00 WT1 O ATOM 13220 H1 TIP3 3784 83.604 44.761 28.156 1.00 0.00 WT1 H ATOM 13221 H2 TIP3 3784 84.197 44.015 29.332 1.00 0.00 WT1 H ATOM 13222 OH2 TIP3 3785 83.874 7.244 1.409 1.00 0.00 WT1 O ATOM 13223 H1 TIP3 3785 84.528 6.868 0.820 1.00 0.00 WT1 H ATOM 13224 H2 TIP3 3785 83.095 6.703 1.279 1.00 0.00 WT1 H ATOM 13225 OH2 TIP3 3786 74.993 5.769 48.296 1.00 0.00 WT1 O ATOM 13226 H1 TIP3 3786 75.197 4.879 48.010 1.00 0.00 WT1 H ATOM 13227 H2 TIP3 3786 74.087 5.908 48.019 1.00 0.00 WT1 H ATOM 13228 OH2 TIP3 3788 62.054 10.217 10.416 1.00 0.00 WT1 O ATOM 13229 H1 TIP3 3788 62.225 9.654 9.661 1.00 0.00 WT1 H ATOM 13230 H2 TIP3 3788 62.913 10.346 10.818 1.00 0.00 WT1 H ATOM 13231 OH2 TIP3 3789 50.456 9.451 63.656 1.00 0.00 WT1 O ATOM 13232 H1 TIP3 3789 50.751 9.552 64.561 1.00 0.00 WT1 H ATOM 13233 H2 TIP3 3789 51.263 9.436 63.141 1.00 0.00 WT1 H ATOM 13234 OH2 TIP3 3790 40.220 25.018 16.035 1.00 0.00 WT1 O ATOM 13235 H1 TIP3 3790 40.413 25.894 16.372 1.00 0.00 WT1 H ATOM 13236 H2 TIP3 3790 40.669 24.982 15.191 1.00 0.00 WT1 H ATOM 13237 OH2 TIP3 3795 83.229 9.361 64.369 1.00 0.00 WT1 O ATOM 13238 H1 TIP3 3795 82.751 9.548 65.178 1.00 0.00 WT1 H ATOM 13239 H2 TIP3 3795 82.599 9.542 63.671 1.00 0.00 WT1 H ATOM 13240 OH2 TIP3 3796 50.901 73.331 24.089 1.00 0.00 WT1 O ATOM 13241 H1 TIP3 3796 50.194 73.977 24.091 1.00 0.00 WT1 H ATOM 13242 H2 TIP3 3796 50.603 72.652 23.484 1.00 0.00 WT1 H ATOM 13243 OH2 TIP3 3797 73.546 24.516 31.947 1.00 0.00 WT1 O ATOM 13244 H1 TIP3 3797 74.473 24.292 31.865 1.00 0.00 WT1 H ATOM 13245 H2 TIP3 3797 73.233 24.576 31.044 1.00 0.00 WT1 H ATOM 13246 OH2 TIP3 3798 68.910 71.244 60.932 1.00 0.00 WT1 O ATOM 13247 H1 TIP3 3798 69.742 71.361 61.390 1.00 0.00 WT1 H ATOM 13248 H2 TIP3 3798 68.441 72.067 61.072 1.00 0.00 WT1 H ATOM 13249 OH2 TIP3 3800 71.217 14.496 49.831 1.00 0.00 WT1 O ATOM 13250 H1 TIP3 3800 71.619 15.211 50.325 1.00 0.00 WT1 H ATOM 13251 H2 TIP3 3800 70.845 14.918 49.057 1.00 0.00 WT1 H ATOM 13252 OH2 TIP3 3801 52.398 22.561 -3.250 1.00 0.00 WT1 O ATOM 13253 H1 TIP3 3801 52.390 23.190 -3.971 1.00 0.00 WT1 H ATOM 13254 H2 TIP3 3801 52.529 23.095 -2.466 1.00 0.00 WT1 H ATOM 13255 OH2 TIP3 3802 61.111 34.805 8.982 1.00 0.00 WT1 O ATOM 13256 H1 TIP3 3802 60.155 34.837 8.953 1.00 0.00 WT1 H ATOM 13257 H2 TIP3 3802 61.373 35.684 9.255 1.00 0.00 WT1 H ATOM 13258 OH2 TIP3 3803 79.528 85.115 25.980 1.00 0.00 WT1 O ATOM 13259 H1 TIP3 3803 78.649 84.749 26.077 1.00 0.00 WT1 H ATOM 13260 H2 TIP3 3803 79.751 84.965 25.061 1.00 0.00 WT1 H ATOM 13261 OH2 TIP3 3804 41.592 58.035 13.802 1.00 0.00 WT1 O ATOM 13262 H1 TIP3 3804 42.370 57.555 14.083 1.00 0.00 WT1 H ATOM 13263 H2 TIP3 3804 41.543 58.783 14.398 1.00 0.00 WT1 H ATOM 13264 OH2 TIP3 3805 65.400 79.844 62.959 1.00 0.00 WT1 O ATOM 13265 H1 TIP3 3805 65.547 78.899 62.945 1.00 0.00 WT1 H ATOM 13266 H2 TIP3 3805 65.543 80.124 62.055 1.00 0.00 WT1 H ATOM 13267 OH2 TIP3 3806 86.770 49.430 -7.236 1.00 0.00 WT1 O ATOM 13268 H1 TIP3 3806 87.458 50.009 -6.905 1.00 0.00 WT1 H ATOM 13269 H2 TIP3 3806 87.217 48.860 -7.861 1.00 0.00 WT1 H ATOM 13270 OH2 TIP3 3807 39.392 33.940 43.503 1.00 0.00 WT1 O ATOM 13271 H1 TIP3 3807 39.028 33.758 42.637 1.00 0.00 WT1 H ATOM 13272 H2 TIP3 3807 39.048 33.241 44.060 1.00 0.00 WT1 H ATOM 13273 OH2 TIP3 3808 46.535 9.353 21.349 1.00 0.00 WT1 O ATOM 13274 H1 TIP3 3808 46.958 9.589 20.523 1.00 0.00 WT1 H ATOM 13275 H2 TIP3 3808 45.928 8.650 21.115 1.00 0.00 WT1 H ATOM 13276 OH2 TIP3 3809 67.529 53.139 35.215 1.00 0.00 WT1 O ATOM 13277 H1 TIP3 3809 66.703 53.397 34.804 1.00 0.00 WT1 H ATOM 13278 H2 TIP3 3809 67.879 53.951 35.579 1.00 0.00 WT1 H ATOM 13279 OH2 TIP3 3810 31.477 43.860 -2.060 1.00 0.00 WT1 O ATOM 13280 H1 TIP3 3810 31.229 43.761 -1.141 1.00 0.00 WT1 H ATOM 13281 H2 TIP3 3810 32.271 44.394 -2.038 1.00 0.00 WT1 H ATOM 13282 OH2 TIP3 3811 68.054 96.274 13.731 1.00 0.00 WT1 O ATOM 13283 H1 TIP3 3811 67.956 95.738 14.518 1.00 0.00 WT1 H ATOM 13284 H2 TIP3 3811 68.996 96.282 13.562 1.00 0.00 WT1 H ATOM 13285 OH2 TIP3 3813 72.310 67.714 -0.618 1.00 0.00 WT1 O ATOM 13286 H1 TIP3 3813 72.483 68.138 -1.459 1.00 0.00 WT1 H ATOM 13287 H2 TIP3 3813 72.844 66.919 -0.636 1.00 0.00 WT1 H ATOM 13288 OH2 TIP3 3818 48.475 14.128 15.168 1.00 0.00 WT1 O ATOM 13289 H1 TIP3 3818 48.193 14.966 15.536 1.00 0.00 WT1 H ATOM 13290 H2 TIP3 3818 49.183 14.357 14.566 1.00 0.00 WT1 H ATOM 13291 OH2 TIP3 3819 88.262 29.095 52.282 1.00 0.00 WT1 O ATOM 13292 H1 TIP3 3819 88.936 28.519 51.922 1.00 0.00 WT1 H ATOM 13293 H2 TIP3 3819 88.565 29.295 53.168 1.00 0.00 WT1 H ATOM 13294 OH2 TIP3 3820 21.720 85.237 -2.527 1.00 0.00 WT1 O ATOM 13295 H1 TIP3 3820 21.291 85.521 -3.334 1.00 0.00 WT1 H ATOM 13296 H2 TIP3 3820 22.166 86.020 -2.204 1.00 0.00 WT1 H ATOM 13297 OH2 TIP3 3821 40.373 84.517 33.619 1.00 0.00 WT1 O ATOM 13298 H1 TIP3 3821 40.212 85.414 33.326 1.00 0.00 WT1 H ATOM 13299 H2 TIP3 3821 40.097 83.971 32.883 1.00 0.00 WT1 H ATOM 13300 OH2 TIP3 3822 20.826 27.850 8.977 1.00 0.00 WT1 O ATOM 13301 H1 TIP3 3822 19.888 27.935 9.148 1.00 0.00 WT1 H ATOM 13302 H2 TIP3 3822 21.193 27.540 9.805 1.00 0.00 WT1 H ATOM 13303 OH2 TIP3 3823 81.043 30.840 -19.408 1.00 0.00 WT1 O ATOM 13304 H1 TIP3 3823 81.715 31.515 -19.311 1.00 0.00 WT1 H ATOM 13305 H2 TIP3 3823 80.221 31.327 -19.468 1.00 0.00 WT1 H ATOM 13306 OH2 TIP3 3825 34.746 37.965 -7.465 1.00 0.00 WT1 O ATOM 13307 H1 TIP3 3825 35.397 38.461 -6.969 1.00 0.00 WT1 H ATOM 13308 H2 TIP3 3825 35.262 37.373 -8.013 1.00 0.00 WT1 H ATOM 13309 OH2 TIP3 3826 53.902 67.731 -3.290 1.00 0.00 WT1 O ATOM 13310 H1 TIP3 3826 54.528 67.017 -3.169 1.00 0.00 WT1 H ATOM 13311 H2 TIP3 3826 54.306 68.481 -2.853 1.00 0.00 WT1 H ATOM 13312 OH2 TIP3 3827 70.235 24.520 32.309 1.00 0.00 WT1 O ATOM 13313 H1 TIP3 3827 70.607 25.322 31.942 1.00 0.00 WT1 H ATOM 13314 H2 TIP3 3827 70.757 23.816 31.924 1.00 0.00 WT1 H ATOM 13315 OH2 TIP3 3828 84.865 52.560 3.084 1.00 0.00 WT1 O ATOM 13316 H1 TIP3 3828 84.331 53.283 2.756 1.00 0.00 WT1 H ATOM 13317 H2 TIP3 3828 85.749 52.754 2.773 1.00 0.00 WT1 H ATOM 13318 OH2 TIP3 3829 49.068 58.848 3.003 1.00 0.00 WT1 O ATOM 13319 H1 TIP3 3829 49.068 59.697 3.446 1.00 0.00 WT1 H ATOM 13320 H2 TIP3 3829 49.956 58.513 3.125 1.00 0.00 WT1 H ATOM 13321 OH2 TIP3 3830 32.052 65.806 39.708 1.00 0.00 WT1 O ATOM 13322 H1 TIP3 3830 32.294 66.528 39.129 1.00 0.00 WT1 H ATOM 13323 H2 TIP3 3830 32.855 65.605 40.189 1.00 0.00 WT1 H ATOM 13324 OH2 TIP3 3832 40.662 75.877 28.757 1.00 0.00 WT1 O ATOM 13325 H1 TIP3 3832 41.522 75.485 28.608 1.00 0.00 WT1 H ATOM 13326 H2 TIP3 3832 40.186 75.225 29.272 1.00 0.00 WT1 H ATOM 13327 OH2 TIP3 3833 54.154 18.936 20.412 1.00 0.00 WT1 O ATOM 13328 H1 TIP3 3833 53.722 19.725 20.084 1.00 0.00 WT1 H ATOM 13329 H2 TIP3 3833 53.811 18.826 21.299 1.00 0.00 WT1 H ATOM 13330 OH2 TIP3 3836 85.566 87.489 15.993 1.00 0.00 WT1 O ATOM 13331 H1 TIP3 3836 84.933 87.317 16.689 1.00 0.00 WT1 H ATOM 13332 H2 TIP3 3836 85.212 87.034 15.229 1.00 0.00 WT1 H ATOM 13333 OH2 TIP3 3837 56.881 29.937 19.992 1.00 0.00 WT1 O ATOM 13334 H1 TIP3 3837 56.332 29.685 20.735 1.00 0.00 WT1 H ATOM 13335 H2 TIP3 3837 57.609 30.419 20.385 1.00 0.00 WT1 H ATOM 13336 OH2 TIP3 3839 27.726 55.475 49.816 1.00 0.00 WT1 O ATOM 13337 H1 TIP3 3839 27.217 56.281 49.726 1.00 0.00 WT1 H ATOM 13338 H2 TIP3 3839 27.241 54.827 49.304 1.00 0.00 WT1 H ATOM 13339 OH2 TIP3 3841 89.824 35.349 -4.769 1.00 0.00 WT1 O ATOM 13340 H1 TIP3 3841 90.072 36.024 -5.400 1.00 0.00 WT1 H ATOM 13341 H2 TIP3 3841 90.162 35.666 -3.932 1.00 0.00 WT1 H ATOM 13342 OH2 TIP3 3844 86.263 31.706 62.937 1.00 0.00 WT1 O ATOM 13343 H1 TIP3 3844 85.555 31.373 62.385 1.00 0.00 WT1 H ATOM 13344 H2 TIP3 3844 86.857 30.963 63.040 1.00 0.00 WT1 H ATOM 13345 OH2 TIP3 3845 43.831 60.115 0.934 1.00 0.00 WT1 O ATOM 13346 H1 TIP3 3845 43.773 59.816 1.842 1.00 0.00 WT1 H ATOM 13347 H2 TIP3 3845 44.766 60.086 0.732 1.00 0.00 WT1 H ATOM 13348 OH2 TIP3 3846 81.056 35.632 -8.893 1.00 0.00 WT1 O ATOM 13349 H1 TIP3 3846 80.146 35.876 -9.061 1.00 0.00 WT1 H ATOM 13350 H2 TIP3 3846 81.471 35.646 -9.756 1.00 0.00 WT1 H ATOM 13351 OH2 TIP3 3847 20.026 70.960 14.549 1.00 0.00 WT1 O ATOM 13352 H1 TIP3 3847 20.470 71.411 15.267 1.00 0.00 WT1 H ATOM 13353 H2 TIP3 3847 20.655 70.303 14.252 1.00 0.00 WT1 H ATOM 13354 OH2 TIP3 3848 22.391 79.961 29.958 1.00 0.00 WT1 O ATOM 13355 H1 TIP3 3848 21.951 80.790 29.767 1.00 0.00 WT1 H ATOM 13356 H2 TIP3 3848 21.911 79.311 29.445 1.00 0.00 WT1 H ATOM 13357 OH2 TIP3 3849 61.770 18.346 -7.636 1.00 0.00 WT1 O ATOM 13358 H1 TIP3 3849 61.569 17.413 -7.562 1.00 0.00 WT1 H ATOM 13359 H2 TIP3 3849 62.122 18.446 -8.520 1.00 0.00 WT1 H ATOM 13360 OH2 TIP3 3851 42.280 41.556 -5.748 1.00 0.00 WT1 O ATOM 13361 H1 TIP3 3851 42.997 41.653 -5.121 1.00 0.00 WT1 H ATOM 13362 H2 TIP3 3851 41.784 42.371 -5.673 1.00 0.00 WT1 H ATOM 13363 OH2 TIP3 3852 68.162 85.529 27.065 1.00 0.00 WT1 O ATOM 13364 H1 TIP3 3852 68.198 84.636 26.724 1.00 0.00 WT1 H ATOM 13365 H2 TIP3 3852 67.240 85.777 26.993 1.00 0.00 WT1 H ATOM 13366 OH2 TIP3 3853 84.697 21.344 66.596 1.00 0.00 WT1 O ATOM 13367 H1 TIP3 3853 85.229 22.084 66.886 1.00 0.00 WT1 H ATOM 13368 H2 TIP3 3853 84.615 20.788 67.372 1.00 0.00 WT1 H ATOM 13369 OH2 TIP3 3854 63.657 51.737 9.484 1.00 0.00 WT1 O ATOM 13370 H1 TIP3 3854 62.991 52.424 9.474 1.00 0.00 WT1 H ATOM 13371 H2 TIP3 3854 63.609 51.368 10.366 1.00 0.00 WT1 H ATOM 13372 OH2 TIP3 3856 30.440 44.338 -19.917 1.00 0.00 WT1 O ATOM 13373 H1 TIP3 3856 30.541 44.008 -19.024 1.00 0.00 WT1 H ATOM 13374 H2 TIP3 3856 29.505 44.247 -20.102 1.00 0.00 WT1 H ATOM 13375 OH2 TIP3 3860 20.386 20.888 -6.636 1.00 0.00 WT1 O ATOM 13376 H1 TIP3 3860 20.988 20.979 -5.897 1.00 0.00 WT1 H ATOM 13377 H2 TIP3 3860 20.815 21.353 -7.354 1.00 0.00 WT1 H ATOM 13378 OH2 TIP3 3863 82.003 63.302 64.811 1.00 0.00 WT1 O ATOM 13379 H1 TIP3 3863 82.905 63.603 64.702 1.00 0.00 WT1 H ATOM 13380 H2 TIP3 3863 81.930 62.547 64.227 1.00 0.00 WT1 H ATOM 13381 OH2 TIP3 3865 45.809 54.036 -2.621 1.00 0.00 WT1 O ATOM 13382 H1 TIP3 3865 46.292 54.633 -2.048 1.00 0.00 WT1 H ATOM 13383 H2 TIP3 3865 45.045 53.776 -2.107 1.00 0.00 WT1 H ATOM 13384 OH2 TIP3 3866 84.278 62.450 55.472 1.00 0.00 WT1 O ATOM 13385 H1 TIP3 3866 84.904 61.758 55.687 1.00 0.00 WT1 H ATOM 13386 H2 TIP3 3866 83.822 62.127 54.695 1.00 0.00 WT1 H ATOM 13387 OH2 TIP3 3867 40.039 29.223 14.439 1.00 0.00 WT1 O ATOM 13388 H1 TIP3 3867 40.636 29.132 13.696 1.00 0.00 WT1 H ATOM 13389 H2 TIP3 3867 40.534 29.729 15.084 1.00 0.00 WT1 H ATOM 13390 OH2 TIP3 3868 74.749 74.705 1.388 1.00 0.00 WT1 O ATOM 13391 H1 TIP3 3868 74.390 73.845 1.167 1.00 0.00 WT1 H ATOM 13392 H2 TIP3 3868 75.126 74.590 2.260 1.00 0.00 WT1 H ATOM 13393 OH2 TIP3 3869 80.617 36.455 62.101 1.00 0.00 WT1 O ATOM 13394 H1 TIP3 3869 81.457 36.628 61.677 1.00 0.00 WT1 H ATOM 13395 H2 TIP3 3869 80.584 35.502 62.188 1.00 0.00 WT1 H ATOM 13396 OH2 TIP3 3870 22.966 50.138 -7.439 1.00 0.00 WT1 O ATOM 13397 H1 TIP3 3870 22.945 49.838 -8.347 1.00 0.00 WT1 H ATOM 13398 H2 TIP3 3870 22.512 49.452 -6.949 1.00 0.00 WT1 H ATOM 13399 OH2 TIP3 3871 71.619 84.613 2.838 1.00 0.00 WT1 O ATOM 13400 H1 TIP3 3871 70.922 84.546 2.184 1.00 0.00 WT1 H ATOM 13401 H2 TIP3 3871 71.384 83.970 3.506 1.00 0.00 WT1 H ATOM 13402 OH2 TIP3 3873 45.042 42.219 9.053 1.00 0.00 WT1 O ATOM 13403 H1 TIP3 3873 45.781 41.685 9.345 1.00 0.00 WT1 H ATOM 13404 H2 TIP3 3873 45.269 43.109 9.320 1.00 0.00 WT1 H ATOM 13405 OH2 TIP3 3875 63.848 55.659 20.482 1.00 0.00 WT1 O ATOM 13406 H1 TIP3 3875 63.249 56.381 20.670 1.00 0.00 WT1 H ATOM 13407 H2 TIP3 3875 63.327 55.043 19.967 1.00 0.00 WT1 H ATOM 13408 OH2 TIP3 3877 77.460 63.434 -2.710 1.00 0.00 WT1 O ATOM 13409 H1 TIP3 3877 77.689 63.143 -3.593 1.00 0.00 WT1 H ATOM 13410 H2 TIP3 3877 76.971 62.701 -2.335 1.00 0.00 WT1 H ATOM 13411 OH2 TIP3 3882 38.845 64.248 -7.195 1.00 0.00 WT1 O ATOM 13412 H1 TIP3 3882 39.325 64.096 -6.382 1.00 0.00 WT1 H ATOM 13413 H2 TIP3 3882 37.925 64.136 -6.955 1.00 0.00 WT1 H ATOM 13414 OH2 TIP3 3883 55.490 92.901 -14.037 1.00 0.00 WT1 O ATOM 13415 H1 TIP3 3883 56.118 92.386 -14.543 1.00 0.00 WT1 H ATOM 13416 H2 TIP3 3883 54.885 92.254 -13.674 1.00 0.00 WT1 H ATOM 13417 OH2 TIP3 3885 47.605 17.954 53.185 1.00 0.00 WT1 O ATOM 13418 H1 TIP3 3885 48.460 18.375 53.106 1.00 0.00 WT1 H ATOM 13419 H2 TIP3 3885 47.721 17.096 52.777 1.00 0.00 WT1 H ATOM 13420 OH2 TIP3 3886 58.185 27.742 -4.329 1.00 0.00 WT1 O ATOM 13421 H1 TIP3 3886 58.546 27.155 -3.665 1.00 0.00 WT1 H ATOM 13422 H2 TIP3 3886 57.559 28.288 -3.852 1.00 0.00 WT1 H ATOM 13423 OH2 TIP3 3888 56.939 45.217 -5.978 1.00 0.00 WT1 O ATOM 13424 H1 TIP3 3888 57.269 45.212 -5.080 1.00 0.00 WT1 H ATOM 13425 H2 TIP3 3888 56.692 46.127 -6.139 1.00 0.00 WT1 H ATOM 13426 OH2 TIP3 3889 25.572 90.380 -2.742 1.00 0.00 WT1 O ATOM 13427 H1 TIP3 3889 25.175 89.730 -2.163 1.00 0.00 WT1 H ATOM 13428 H2 TIP3 3889 26.417 90.000 -2.985 1.00 0.00 WT1 H ATOM 13429 OH2 TIP3 3890 89.462 44.423 12.397 1.00 0.00 WT1 O ATOM 13430 H1 TIP3 3890 89.378 44.562 11.454 1.00 0.00 WT1 H ATOM 13431 H2 TIP3 3890 88.636 44.742 12.762 1.00 0.00 WT1 H ATOM 13432 OH2 TIP3 3891 67.116 71.595 -12.318 1.00 0.00 WT1 O ATOM 13433 H1 TIP3 3891 67.785 71.016 -12.683 1.00 0.00 WT1 H ATOM 13434 H2 TIP3 3891 66.545 71.799 -13.058 1.00 0.00 WT1 H ATOM 13435 OH2 TIP3 3892 54.268 29.048 15.599 1.00 0.00 WT1 O ATOM 13436 H1 TIP3 3892 53.493 29.326 16.089 1.00 0.00 WT1 H ATOM 13437 H2 TIP3 3892 55.003 29.251 16.178 1.00 0.00 WT1 H ATOM 13438 OH2 TIP3 3896 86.870 74.062 49.782 1.00 0.00 WT1 O ATOM 13439 H1 TIP3 3896 86.618 73.213 49.420 1.00 0.00 WT1 H ATOM 13440 H2 TIP3 3896 87.777 74.184 49.500 1.00 0.00 WT1 H ATOM 13441 OH2 TIP3 3898 72.075 44.742 -13.861 1.00 0.00 WT1 O ATOM 13442 H1 TIP3 3898 71.734 45.636 -13.909 1.00 0.00 WT1 H ATOM 13443 H2 TIP3 3898 71.631 44.356 -13.106 1.00 0.00 WT1 H ATOM 13444 OH2 TIP3 3899 33.852 29.664 -1.930 1.00 0.00 WT1 O ATOM 13445 H1 TIP3 3899 34.687 30.096 -1.751 1.00 0.00 WT1 H ATOM 13446 H2 TIP3 3899 33.220 30.123 -1.377 1.00 0.00 WT1 H ATOM 13447 OH2 TIP3 3900 48.021 36.785 28.318 1.00 0.00 WT1 O ATOM 13448 H1 TIP3 3900 48.651 36.631 27.614 1.00 0.00 WT1 H ATOM 13449 H2 TIP3 3900 47.202 36.411 27.994 1.00 0.00 WT1 H ATOM 13450 OH2 TIP3 3903 83.317 85.856 3.750 1.00 0.00 WT1 O ATOM 13451 H1 TIP3 3903 82.892 85.015 3.577 1.00 0.00 WT1 H ATOM 13452 H2 TIP3 3903 82.871 86.473 3.170 1.00 0.00 WT1 H ATOM 13453 OH2 TIP3 3906 70.760 87.327 54.828 1.00 0.00 WT1 O ATOM 13454 H1 TIP3 3906 69.806 87.248 54.810 1.00 0.00 WT1 H ATOM 13455 H2 TIP3 3906 71.054 86.865 54.043 1.00 0.00 WT1 H ATOM 13456 OH2 TIP3 3907 30.249 59.963 0.596 1.00 0.00 WT1 O ATOM 13457 H1 TIP3 3907 29.407 59.650 0.266 1.00 0.00 WT1 H ATOM 13458 H2 TIP3 3907 30.049 60.805 1.005 1.00 0.00 WT1 H ATOM 13459 OH2 TIP3 3908 32.580 36.918 16.108 1.00 0.00 WT1 O ATOM 13460 H1 TIP3 3908 33.438 36.495 16.083 1.00 0.00 WT1 H ATOM 13461 H2 TIP3 3908 32.627 37.596 15.435 1.00 0.00 WT1 H ATOM 13462 OH2 TIP3 3909 23.305 19.584 -13.664 1.00 0.00 WT1 O ATOM 13463 H1 TIP3 3909 23.640 19.790 -12.791 1.00 0.00 WT1 H ATOM 13464 H2 TIP3 3909 22.376 19.810 -13.624 1.00 0.00 WT1 H ATOM 13465 OH2 TIP3 3910 26.651 28.043 44.796 1.00 0.00 WT1 O ATOM 13466 H1 TIP3 3910 27.486 28.246 45.217 1.00 0.00 WT1 H ATOM 13467 H2 TIP3 3910 26.284 28.896 44.566 1.00 0.00 WT1 H ATOM 13468 OH2 TIP3 3912 52.741 22.324 6.830 1.00 0.00 WT1 O ATOM 13469 H1 TIP3 3912 53.254 22.902 7.395 1.00 0.00 WT1 H ATOM 13470 H2 TIP3 3912 53.206 21.488 6.858 1.00 0.00 WT1 H ATOM 13471 OH2 TIP3 3913 86.906 56.720 -13.703 1.00 0.00 WT1 O ATOM 13472 H1 TIP3 3913 86.538 55.840 -13.788 1.00 0.00 WT1 H ATOM 13473 H2 TIP3 3913 87.819 56.625 -13.973 1.00 0.00 WT1 H ATOM 13474 OH2 TIP3 3916 84.548 62.492 12.938 1.00 0.00 WT1 O ATOM 13475 H1 TIP3 3916 83.624 62.258 12.859 1.00 0.00 WT1 H ATOM 13476 H2 TIP3 3916 84.712 62.505 13.881 1.00 0.00 WT1 H ATOM 13477 OH2 TIP3 3918 73.690 89.103 -14.259 1.00 0.00 WT1 O ATOM 13478 H1 TIP3 3918 74.471 89.064 -14.809 1.00 0.00 WT1 H ATOM 13479 H2 TIP3 3918 73.323 88.220 -14.299 1.00 0.00 WT1 H ATOM 13480 OH2 TIP3 3919 47.779 5.734 -3.639 1.00 0.00 WT1 O ATOM 13481 H1 TIP3 3919 48.451 6.395 -3.471 1.00 0.00 WT1 H ATOM 13482 H2 TIP3 3919 47.209 5.771 -2.871 1.00 0.00 WT1 H ATOM 13483 OH2 TIP3 3924 60.606 34.837 3.877 1.00 0.00 WT1 O ATOM 13484 H1 TIP3 3924 60.291 35.190 4.709 1.00 0.00 WT1 H ATOM 13485 H2 TIP3 3924 60.330 35.479 3.223 1.00 0.00 WT1 H ATOM 13486 OH2 TIP3 3925 31.206 7.576 41.744 1.00 0.00 WT1 O ATOM 13487 H1 TIP3 3925 31.189 6.728 41.301 1.00 0.00 WT1 H ATOM 13488 H2 TIP3 3925 32.116 7.685 42.019 1.00 0.00 WT1 H ATOM 13489 OH2 TIP3 3926 24.409 14.882 33.726 1.00 0.00 WT1 O ATOM 13490 H1 TIP3 3926 23.487 14.691 33.902 1.00 0.00 WT1 H ATOM 13491 H2 TIP3 3926 24.889 14.369 34.377 1.00 0.00 WT1 H ATOM 13492 OH2 TIP3 3928 30.884 66.514 -4.602 1.00 0.00 WT1 O ATOM 13493 H1 TIP3 3928 31.592 66.916 -4.099 1.00 0.00 WT1 H ATOM 13494 H2 TIP3 3928 30.435 65.948 -3.974 1.00 0.00 WT1 H ATOM 13495 OH2 TIP3 3929 25.482 36.307 -20.031 1.00 0.00 WT1 O ATOM 13496 H1 TIP3 3929 25.374 36.234 -19.082 1.00 0.00 WT1 H ATOM 13497 H2 TIP3 3929 24.944 37.060 -20.275 1.00 0.00 WT1 H ATOM 13498 OH2 TIP3 3930 33.477 90.805 20.590 1.00 0.00 WT1 O ATOM 13499 H1 TIP3 3930 32.687 91.278 20.851 1.00 0.00 WT1 H ATOM 13500 H2 TIP3 3930 33.458 90.816 19.633 1.00 0.00 WT1 H ATOM 13501 OH2 TIP3 3931 39.963 1.963 41.452 1.00 0.00 WT1 O ATOM 13502 H1 TIP3 3931 39.233 2.557 41.627 1.00 0.00 WT1 H ATOM 13503 H2 TIP3 3931 40.740 2.522 41.478 1.00 0.00 WT1 H ATOM 13504 OH2 TIP3 3932 33.153 50.078 18.965 1.00 0.00 WT1 O ATOM 13505 H1 TIP3 3932 33.744 49.519 18.462 1.00 0.00 WT1 H ATOM 13506 H2 TIP3 3932 33.228 50.939 18.553 1.00 0.00 WT1 H ATOM 13507 OH2 TIP3 3933 48.169 46.453 -19.396 1.00 0.00 WT1 O ATOM 13508 H1 TIP3 3933 48.569 45.886 -20.055 1.00 0.00 WT1 H ATOM 13509 H2 TIP3 3933 48.236 45.958 -18.580 1.00 0.00 WT1 H ATOM 13510 OH2 TIP3 3934 71.602 22.934 63.956 1.00 0.00 WT1 O ATOM 13511 H1 TIP3 3934 72.489 22.942 63.596 1.00 0.00 WT1 H ATOM 13512 H2 TIP3 3934 71.069 22.530 63.271 1.00 0.00 WT1 H ATOM 13513 OH2 TIP3 3935 20.872 0.992 58.974 1.00 0.00 WT1 O ATOM 13514 H1 TIP3 3935 21.661 0.929 59.512 1.00 0.00 WT1 H ATOM 13515 H2 TIP3 3935 21.184 0.876 58.076 1.00 0.00 WT1 H ATOM 13516 OH2 TIP3 3938 60.620 95.923 18.953 1.00 0.00 WT1 O ATOM 13517 H1 TIP3 3938 59.849 96.471 18.807 1.00 0.00 WT1 H ATOM 13518 H2 TIP3 3938 60.280 95.028 18.964 1.00 0.00 WT1 H ATOM 13519 OH2 TIP3 3943 50.367 19.669 49.006 1.00 0.00 WT1 O ATOM 13520 H1 TIP3 3943 49.608 19.146 48.748 1.00 0.00 WT1 H ATOM 13521 H2 TIP3 3943 50.142 20.563 48.746 1.00 0.00 WT1 H ATOM 13522 OH2 TIP3 3949 21.342 57.155 43.097 1.00 0.00 WT1 O ATOM 13523 H1 TIP3 3949 20.779 57.923 43.003 1.00 0.00 WT1 H ATOM 13524 H2 TIP3 3949 21.712 57.235 43.976 1.00 0.00 WT1 H ATOM 13525 OH2 TIP3 3950 62.524 76.841 36.971 1.00 0.00 WT1 O ATOM 13526 H1 TIP3 3950 61.763 76.728 36.402 1.00 0.00 WT1 H ATOM 13527 H2 TIP3 3950 62.611 76.003 37.426 1.00 0.00 WT1 H ATOM 13528 OH2 TIP3 3951 76.938 6.452 66.528 1.00 0.00 WT1 O ATOM 13529 H1 TIP3 3951 76.871 7.202 65.937 1.00 0.00 WT1 H ATOM 13530 H2 TIP3 3951 77.635 5.913 66.155 1.00 0.00 WT1 H ATOM 13531 OH2 TIP3 3953 66.702 91.046 34.304 1.00 0.00 WT1 O ATOM 13532 H1 TIP3 3953 66.090 91.055 35.040 1.00 0.00 WT1 H ATOM 13533 H2 TIP3 3953 66.367 91.714 33.706 1.00 0.00 WT1 H ATOM 13534 OH2 TIP3 3954 54.868 53.670 22.515 1.00 0.00 WT1 O ATOM 13535 H1 TIP3 3954 54.726 52.761 22.253 1.00 0.00 WT1 H ATOM 13536 H2 TIP3 3954 54.714 54.177 21.717 1.00 0.00 WT1 H ATOM 13537 OH2 TIP3 3955 40.581 84.872 56.172 1.00 0.00 WT1 O ATOM 13538 H1 TIP3 3955 41.392 84.609 56.606 1.00 0.00 WT1 H ATOM 13539 H2 TIP3 3955 39.952 84.983 56.885 1.00 0.00 WT1 H ATOM 13540 OH2 TIP3 3956 75.152 87.839 9.756 1.00 0.00 WT1 O ATOM 13541 H1 TIP3 3956 74.990 87.397 8.923 1.00 0.00 WT1 H ATOM 13542 H2 TIP3 3956 75.906 87.382 10.128 1.00 0.00 WT1 H ATOM 13543 OH2 TIP3 3957 65.779 94.555 36.668 1.00 0.00 WT1 O ATOM 13544 H1 TIP3 3957 66.598 94.780 37.110 1.00 0.00 WT1 H ATOM 13545 H2 TIP3 3957 65.445 95.390 36.341 1.00 0.00 WT1 H ATOM 13546 OH2 TIP3 3962 44.832 36.386 34.565 1.00 0.00 WT1 O ATOM 13547 H1 TIP3 3962 45.742 36.210 34.804 1.00 0.00 WT1 H ATOM 13548 H2 TIP3 3962 44.891 36.924 33.775 1.00 0.00 WT1 H ATOM 13549 OH2 TIP3 3964 23.414 91.833 6.770 1.00 0.00 WT1 O ATOM 13550 H1 TIP3 3964 22.945 92.626 6.510 1.00 0.00 WT1 H ATOM 13551 H2 TIP3 3964 22.784 91.345 7.301 1.00 0.00 WT1 H ATOM 13552 OH2 TIP3 3965 26.038 18.948 0.478 1.00 0.00 WT1 O ATOM 13553 H1 TIP3 3965 25.935 19.555 1.210 1.00 0.00 WT1 H ATOM 13554 H2 TIP3 3965 26.841 18.466 0.677 1.00 0.00 WT1 H ATOM 13555 OH2 TIP3 3966 25.656 42.952 31.018 1.00 0.00 WT1 O ATOM 13556 H1 TIP3 3966 25.104 43.623 30.617 1.00 0.00 WT1 H ATOM 13557 H2 TIP3 3966 26.144 42.574 30.286 1.00 0.00 WT1 H ATOM 13558 OH2 TIP3 3967 26.115 58.100 21.161 1.00 0.00 WT1 O ATOM 13559 H1 TIP3 3967 26.599 58.417 20.398 1.00 0.00 WT1 H ATOM 13560 H2 TIP3 3967 25.491 57.468 20.805 1.00 0.00 WT1 H ATOM 13561 OH2 TIP3 3968 24.742 34.874 31.698 1.00 0.00 WT1 O ATOM 13562 H1 TIP3 3968 25.005 33.965 31.557 1.00 0.00 WT1 H ATOM 13563 H2 TIP3 3968 24.665 35.241 30.817 1.00 0.00 WT1 H ATOM 13564 OH2 TIP3 3971 32.689 85.543 47.528 1.00 0.00 WT1 O ATOM 13565 H1 TIP3 3971 32.489 84.666 47.202 1.00 0.00 WT1 H ATOM 13566 H2 TIP3 3971 31.847 85.886 47.826 1.00 0.00 WT1 H ATOM 13567 OH2 TIP3 3972 20.705 71.842 11.008 1.00 0.00 WT1 O ATOM 13568 H1 TIP3 3972 21.320 72.468 10.625 1.00 0.00 WT1 H ATOM 13569 H2 TIP3 3972 21.007 70.988 10.697 1.00 0.00 WT1 H ATOM 13570 OH2 TIP3 3973 54.438 71.337 45.116 1.00 0.00 WT1 O ATOM 13571 H1 TIP3 3973 55.129 70.677 45.177 1.00 0.00 WT1 H ATOM 13572 H2 TIP3 3973 54.005 71.155 44.282 1.00 0.00 WT1 H ATOM 13573 OH2 TIP3 3974 43.021 11.571 -1.788 1.00 0.00 WT1 O ATOM 13574 H1 TIP3 3974 42.909 10.643 -1.579 1.00 0.00 WT1 H ATOM 13575 H2 TIP3 3974 42.269 11.785 -2.341 1.00 0.00 WT1 H ATOM 13576 OH2 TIP3 3975 28.005 91.183 59.130 1.00 0.00 WT1 O ATOM 13577 H1 TIP3 3975 28.042 91.998 58.629 1.00 0.00 WT1 H ATOM 13578 H2 TIP3 3975 27.979 91.465 60.045 1.00 0.00 WT1 H ATOM 13579 OH2 TIP3 3976 30.933 93.518 18.785 1.00 0.00 WT1 O ATOM 13580 H1 TIP3 3976 30.949 92.900 19.515 1.00 0.00 WT1 H ATOM 13581 H2 TIP3 3976 30.479 93.050 18.084 1.00 0.00 WT1 H ATOM 13582 OH2 TIP3 3977 57.766 72.747 4.977 1.00 0.00 WT1 O ATOM 13583 H1 TIP3 3977 58.511 72.149 4.917 1.00 0.00 WT1 H ATOM 13584 H2 TIP3 3977 57.656 72.900 5.915 1.00 0.00 WT1 H ATOM 13585 OH2 TIP3 3978 79.668 29.563 49.153 1.00 0.00 WT1 O ATOM 13586 H1 TIP3 3978 79.932 28.733 48.758 1.00 0.00 WT1 H ATOM 13587 H2 TIP3 3978 80.305 30.198 48.826 1.00 0.00 WT1 H ATOM 13588 OH2 TIP3 3982 88.792 81.821 55.239 1.00 0.00 WT1 O ATOM 13589 H1 TIP3 3982 88.631 81.709 54.302 1.00 0.00 WT1 H ATOM 13590 H2 TIP3 3982 89.630 82.281 55.286 1.00 0.00 WT1 H ATOM 13591 OH2 TIP3 3983 45.356 9.626 17.894 1.00 0.00 WT1 O ATOM 13592 H1 TIP3 3983 44.548 9.625 18.406 1.00 0.00 WT1 H ATOM 13593 H2 TIP3 3983 45.806 10.429 18.158 1.00 0.00 WT1 H ATOM 13594 OH2 TIP3 3985 24.950 27.310 61.184 1.00 0.00 WT1 O ATOM 13595 H1 TIP3 3985 24.121 27.615 61.551 1.00 0.00 WT1 H ATOM 13596 H2 TIP3 3985 25.619 27.805 61.657 1.00 0.00 WT1 H ATOM 13597 OH2 TIP3 3986 41.276 19.831 -11.208 1.00 0.00 WT1 O ATOM 13598 H1 TIP3 3986 40.987 20.506 -11.821 1.00 0.00 WT1 H ATOM 13599 H2 TIP3 3986 40.466 19.464 -10.855 1.00 0.00 WT1 H ATOM 13600 OH2 TIP3 3988 74.535 52.480 50.168 1.00 0.00 WT1 O ATOM 13601 H1 TIP3 3988 74.259 52.770 49.298 1.00 0.00 WT1 H ATOM 13602 H2 TIP3 3988 73.717 52.338 50.644 1.00 0.00 WT1 H ATOM 13603 OH2 TIP3 3989 30.632 23.291 23.137 1.00 0.00 WT1 O ATOM 13604 H1 TIP3 3989 30.262 23.801 23.858 1.00 0.00 WT1 H ATOM 13605 H2 TIP3 3989 30.631 22.389 23.455 1.00 0.00 WT1 H ATOM 13606 OH2 TIP3 3990 34.829 49.558 2.756 1.00 0.00 WT1 O ATOM 13607 H1 TIP3 3990 34.631 49.115 1.931 1.00 0.00 WT1 H ATOM 13608 H2 TIP3 3990 35.241 50.381 2.494 1.00 0.00 WT1 H ATOM 13609 OH2 TIP3 3991 78.256 9.960 -5.489 1.00 0.00 WT1 O ATOM 13610 H1 TIP3 3991 78.145 10.861 -5.794 1.00 0.00 WT1 H ATOM 13611 H2 TIP3 3991 77.991 9.984 -4.569 1.00 0.00 WT1 H ATOM 13612 OH2 TIP3 3992 50.221 1.586 -4.525 1.00 0.00 WT1 O ATOM 13613 H1 TIP3 3992 50.164 0.792 -3.994 1.00 0.00 WT1 H ATOM 13614 H2 TIP3 3992 50.702 1.317 -5.308 1.00 0.00 WT1 H ATOM 13615 OH2 TIP3 3993 32.924 1.733 37.074 1.00 0.00 WT1 O ATOM 13616 H1 TIP3 3993 33.249 1.025 36.517 1.00 0.00 WT1 H ATOM 13617 H2 TIP3 3993 33.148 2.533 36.599 1.00 0.00 WT1 H ATOM 13618 OH2 TIP3 3995 58.881 7.431 45.188 1.00 0.00 WT1 O ATOM 13619 H1 TIP3 3995 58.463 6.864 44.540 1.00 0.00 WT1 H ATOM 13620 H2 TIP3 3995 58.166 7.711 45.759 1.00 0.00 WT1 H ATOM 13621 OH2 TIP3 3996 55.364 60.628 -14.669 1.00 0.00 WT1 O ATOM 13622 H1 TIP3 3996 54.771 60.700 -13.921 1.00 0.00 WT1 H ATOM 13623 H2 TIP3 3996 56.240 60.661 -14.286 1.00 0.00 WT1 H ATOM 13624 OH2 TIP3 3997 44.752 95.006 4.534 1.00 0.00 WT1 O ATOM 13625 H1 TIP3 3997 45.341 94.895 5.280 1.00 0.00 WT1 H ATOM 13626 H2 TIP3 3997 44.958 94.272 3.955 1.00 0.00 WT1 H ATOM 13627 OH2 TIP3 3998 78.836 5.194 1.703 1.00 0.00 WT1 O ATOM 13628 H1 TIP3 3998 78.864 4.663 2.498 1.00 0.00 WT1 H ATOM 13629 H2 TIP3 3998 78.431 6.017 1.978 1.00 0.00 WT1 H ATOM 13630 OH2 TIP3 3999 20.469 32.941 44.792 1.00 0.00 WT1 O ATOM 13631 H1 TIP3 3999 19.923 32.260 44.399 1.00 0.00 WT1 H ATOM 13632 H2 TIP3 3999 21.278 32.491 45.034 1.00 0.00 WT1 H ATOM 13633 OH2 TIP3 4000 90.025 26.382 3.910 1.00 0.00 WT1 O ATOM 13634 H1 TIP3 4000 90.368 25.910 4.669 1.00 0.00 WT1 H ATOM 13635 H2 TIP3 4000 89.595 27.152 4.281 1.00 0.00 WT1 H ATOM 13636 OH2 TIP3 4002 64.169 91.604 10.113 1.00 0.00 WT1 O ATOM 13637 H1 TIP3 4002 64.613 90.777 10.298 1.00 0.00 WT1 H ATOM 13638 H2 TIP3 4002 63.571 91.401 9.394 1.00 0.00 WT1 H ATOM 13639 OH2 TIP3 4004 42.964 93.627 -3.091 1.00 0.00 WT1 O ATOM 13640 H1 TIP3 4004 43.086 93.324 -3.991 1.00 0.00 WT1 H ATOM 13641 H2 TIP3 4004 43.251 92.891 -2.550 1.00 0.00 WT1 H ATOM 13642 OH2 TIP3 4005 25.012 74.576 29.142 1.00 0.00 WT1 O ATOM 13643 H1 TIP3 4005 24.394 74.478 28.417 1.00 0.00 WT1 H ATOM 13644 H2 TIP3 4005 24.665 74.010 29.831 1.00 0.00 WT1 H ATOM 13645 OH2 TIP3 4006 71.944 7.136 3.237 1.00 0.00 WT1 O ATOM 13646 H1 TIP3 4006 71.663 6.239 3.416 1.00 0.00 WT1 H ATOM 13647 H2 TIP3 4006 72.464 7.382 4.002 1.00 0.00 WT1 H ATOM 13648 OH2 TIP3 4007 69.729 91.839 -13.660 1.00 0.00 WT1 O ATOM 13649 H1 TIP3 4007 69.194 92.464 -13.170 1.00 0.00 WT1 H ATOM 13650 H2 TIP3 4007 69.188 91.051 -13.714 1.00 0.00 WT1 H ATOM 13651 OH2 TIP3 4008 56.799 32.054 56.084 1.00 0.00 WT1 O ATOM 13652 H1 TIP3 4008 56.322 32.841 56.349 1.00 0.00 WT1 H ATOM 13653 H2 TIP3 4008 57.616 32.089 56.583 1.00 0.00 WT1 H ATOM 13654 OH2 TIP3 4009 47.759 24.811 64.448 1.00 0.00 WT1 O ATOM 13655 H1 TIP3 4009 46.811 24.691 64.504 1.00 0.00 WT1 H ATOM 13656 H2 TIP3 4009 47.878 25.758 64.387 1.00 0.00 WT1 H ATOM 13657 OH2 TIP3 4010 56.096 5.235 26.874 1.00 0.00 WT1 O ATOM 13658 H1 TIP3 4010 55.536 5.776 27.430 1.00 0.00 WT1 H ATOM 13659 H2 TIP3 4010 56.740 4.860 27.475 1.00 0.00 WT1 H ATOM 13660 OH2 TIP3 4011 27.811 46.548 -18.256 1.00 0.00 WT1 O ATOM 13661 H1 TIP3 4011 27.966 46.976 -17.414 1.00 0.00 WT1 H ATOM 13662 H2 TIP3 4011 28.308 47.070 -18.886 1.00 0.00 WT1 H ATOM 13663 OH2 TIP3 4012 41.804 15.161 29.668 1.00 0.00 WT1 O ATOM 13664 H1 TIP3 4012 41.372 15.296 30.512 1.00 0.00 WT1 H ATOM 13665 H2 TIP3 4012 42.565 14.618 29.872 1.00 0.00 WT1 H ATOM 13666 OH2 TIP3 4013 58.743 86.149 25.344 1.00 0.00 WT1 O ATOM 13667 H1 TIP3 4013 59.248 85.605 25.949 1.00 0.00 WT1 H ATOM 13668 H2 TIP3 4013 58.565 85.577 24.598 1.00 0.00 WT1 H ATOM 13669 OH2 TIP3 4014 74.169 0.952 -1.807 1.00 0.00 WT1 O ATOM 13670 H1 TIP3 4014 73.312 0.530 -1.863 1.00 0.00 WT1 H ATOM 13671 H2 TIP3 4014 74.039 1.815 -2.198 1.00 0.00 WT1 H ATOM 13672 OH2 TIP3 4015 80.525 65.861 59.890 1.00 0.00 WT1 O ATOM 13673 H1 TIP3 4015 80.850 65.650 59.015 1.00 0.00 WT1 H ATOM 13674 H2 TIP3 4015 79.820 65.231 60.043 1.00 0.00 WT1 H ATOM 13675 OH2 TIP3 4016 77.236 9.209 64.657 1.00 0.00 WT1 O ATOM 13676 H1 TIP3 4016 77.260 9.909 64.004 1.00 0.00 WT1 H ATOM 13677 H2 TIP3 4016 76.765 9.587 65.399 1.00 0.00 WT1 H ATOM 13678 OH2 TIP3 4017 36.672 32.097 40.347 1.00 0.00 WT1 O ATOM 13679 H1 TIP3 4017 37.085 31.610 41.060 1.00 0.00 WT1 H ATOM 13680 H2 TIP3 4017 37.057 31.729 39.551 1.00 0.00 WT1 H ATOM 13681 OH2 TIP3 4018 39.698 28.958 21.527 1.00 0.00 WT1 O ATOM 13682 H1 TIP3 4018 38.848 28.962 21.967 1.00 0.00 WT1 H ATOM 13683 H2 TIP3 4018 40.325 29.186 22.213 1.00 0.00 WT1 H ATOM 13684 OH2 TIP3 4019 64.324 95.898 64.153 1.00 0.00 WT1 O ATOM 13685 H1 TIP3 4019 64.099 96.438 64.911 1.00 0.00 WT1 H ATOM 13686 H2 TIP3 4019 63.544 95.367 63.996 1.00 0.00 WT1 H ATOM 13687 OH2 TIP3 4020 50.382 95.622 25.205 1.00 0.00 WT1 O ATOM 13688 H1 TIP3 4020 49.831 96.359 25.467 1.00 0.00 WT1 H ATOM 13689 H2 TIP3 4020 50.080 94.892 25.746 1.00 0.00 WT1 H ATOM 13690 OH2 TIP3 4021 65.423 16.788 1.730 1.00 0.00 WT1 O ATOM 13691 H1 TIP3 4021 65.900 16.152 2.263 1.00 0.00 WT1 H ATOM 13692 H2 TIP3 4021 64.919 17.301 2.362 1.00 0.00 WT1 H ATOM 13693 OH2 TIP3 4022 35.957 3.190 -0.031 1.00 0.00 WT1 O ATOM 13694 H1 TIP3 4022 35.764 3.295 -0.963 1.00 0.00 WT1 H ATOM 13695 H2 TIP3 4022 36.855 2.858 -0.008 1.00 0.00 WT1 H ATOM 13696 OH2 TIP3 4023 30.225 5.514 48.448 1.00 0.00 WT1 O ATOM 13697 H1 TIP3 4023 29.700 5.051 47.795 1.00 0.00 WT1 H ATOM 13698 H2 TIP3 4023 30.862 6.012 47.936 1.00 0.00 WT1 H ATOM 13699 OH2 TIP3 4025 62.164 80.424 45.238 1.00 0.00 WT1 O ATOM 13700 H1 TIP3 4025 62.391 79.752 45.882 1.00 0.00 WT1 H ATOM 13701 H2 TIP3 4025 62.703 80.216 44.475 1.00 0.00 WT1 H ATOM 13702 OH2 TIP3 4026 49.943 87.599 -7.276 1.00 0.00 WT1 O ATOM 13703 H1 TIP3 4026 50.144 87.197 -6.431 1.00 0.00 WT1 H ATOM 13704 H2 TIP3 4026 49.393 86.955 -7.723 1.00 0.00 WT1 H ATOM 13705 OH2 TIP3 4027 61.948 12.715 48.258 1.00 0.00 WT1 O ATOM 13706 H1 TIP3 4027 61.883 13.668 48.211 1.00 0.00 WT1 H ATOM 13707 H2 TIP3 4027 61.244 12.398 47.692 1.00 0.00 WT1 H ATOM 13708 OH2 TIP3 4028 36.871 31.192 30.022 1.00 0.00 WT1 O ATOM 13709 H1 TIP3 4028 36.561 30.441 30.529 1.00 0.00 WT1 H ATOM 13710 H2 TIP3 4028 36.378 31.935 30.370 1.00 0.00 WT1 H ATOM 13711 OH2 TIP3 4029 42.472 83.775 36.147 1.00 0.00 WT1 O ATOM 13712 H1 TIP3 4029 42.342 82.976 36.657 1.00 0.00 WT1 H ATOM 13713 H2 TIP3 4029 42.506 83.477 35.238 1.00 0.00 WT1 H ATOM 13714 OH2 TIP3 4030 55.471 78.804 -11.743 1.00 0.00 WT1 O ATOM 13715 H1 TIP3 4030 56.118 79.098 -11.103 1.00 0.00 WT1 H ATOM 13716 H2 TIP3 4030 55.625 77.862 -11.824 1.00 0.00 WT1 H ATOM 13717 OH2 TIP3 4031 40.384 61.653 41.070 1.00 0.00 WT1 O ATOM 13718 H1 TIP3 4031 40.971 61.938 41.770 1.00 0.00 WT1 H ATOM 13719 H2 TIP3 4031 40.190 62.452 40.579 1.00 0.00 WT1 H ATOM 13720 OH2 TIP3 4032 81.446 69.634 -13.139 1.00 0.00 WT1 O ATOM 13721 H1 TIP3 4032 82.206 70.069 -12.753 1.00 0.00 WT1 H ATOM 13722 H2 TIP3 4032 80.719 69.864 -12.560 1.00 0.00 WT1 H ATOM 13723 OH2 TIP3 4033 41.730 34.739 -0.381 1.00 0.00 WT1 O ATOM 13724 H1 TIP3 4033 41.530 34.496 0.523 1.00 0.00 WT1 H ATOM 13725 H2 TIP3 4033 42.269 35.526 -0.305 1.00 0.00 WT1 H ATOM 13726 OH2 TIP3 4034 39.719 86.585 54.353 1.00 0.00 WT1 O ATOM 13727 H1 TIP3 4034 39.735 86.250 53.457 1.00 0.00 WT1 H ATOM 13728 H2 TIP3 4034 40.217 85.942 54.859 1.00 0.00 WT1 H ATOM 13729 OH2 TIP3 4035 69.240 0.627 5.283 1.00 0.00 WT1 O ATOM 13730 H1 TIP3 4035 69.561 1.148 6.019 1.00 0.00 WT1 H ATOM 13731 H2 TIP3 4035 69.687 0.991 4.519 1.00 0.00 WT1 H ATOM 13732 OH2 TIP3 4036 35.590 89.557 -14.299 1.00 0.00 WT1 O ATOM 13733 H1 TIP3 4036 35.009 90.185 -13.871 1.00 0.00 WT1 H ATOM 13734 H2 TIP3 4036 36.418 90.026 -14.400 1.00 0.00 WT1 H ATOM 13735 OH2 TIP3 4037 22.579 62.903 34.393 1.00 0.00 WT1 O ATOM 13736 H1 TIP3 4037 23.432 62.821 33.965 1.00 0.00 WT1 H ATOM 13737 H2 TIP3 4037 22.159 62.053 34.255 1.00 0.00 WT1 H ATOM 13738 OH2 TIP3 4039 48.144 81.914 0.744 1.00 0.00 WT1 O ATOM 13739 H1 TIP3 4039 47.676 82.025 -0.084 1.00 0.00 WT1 H ATOM 13740 H2 TIP3 4039 47.839 81.071 1.081 1.00 0.00 WT1 H ATOM 13741 OH2 TIP3 4040 63.602 43.764 51.913 1.00 0.00 WT1 O ATOM 13742 H1 TIP3 4040 63.625 43.996 50.984 1.00 0.00 WT1 H ATOM 13743 H2 TIP3 4040 62.703 43.950 52.183 1.00 0.00 WT1 H ATOM 13744 OH2 TIP3 4041 43.536 7.082 -7.998 1.00 0.00 WT1 O ATOM 13745 H1 TIP3 4041 43.892 6.488 -8.659 1.00 0.00 WT1 H ATOM 13746 H2 TIP3 4041 43.686 6.633 -7.166 1.00 0.00 WT1 H ATOM 13747 OH2 TIP3 4042 59.762 91.857 27.145 1.00 0.00 WT1 O ATOM 13748 H1 TIP3 4042 59.898 91.538 28.038 1.00 0.00 WT1 H ATOM 13749 H2 TIP3 4042 60.410 91.387 26.621 1.00 0.00 WT1 H ATOM 13750 OH2 TIP3 4043 36.271 50.649 11.317 1.00 0.00 WT1 O ATOM 13751 H1 TIP3 4043 36.527 50.229 12.138 1.00 0.00 WT1 H ATOM 13752 H2 TIP3 4043 37.040 50.565 10.754 1.00 0.00 WT1 H ATOM 13753 OH2 TIP3 4044 62.157 90.361 33.080 1.00 0.00 WT1 O ATOM 13754 H1 TIP3 4044 62.492 89.701 33.687 1.00 0.00 WT1 H ATOM 13755 H2 TIP3 4044 61.236 90.462 33.320 1.00 0.00 WT1 H ATOM 13756 OH2 TIP3 4045 86.785 34.433 58.941 1.00 0.00 WT1 O ATOM 13757 H1 TIP3 4045 86.484 35.311 59.178 1.00 0.00 WT1 H ATOM 13758 H2 TIP3 4045 87.475 34.236 59.574 1.00 0.00 WT1 H ATOM 13759 OH2 TIP3 4046 47.103 95.255 53.810 1.00 0.00 WT1 O ATOM 13760 H1 TIP3 4046 47.931 95.528 53.415 1.00 0.00 WT1 H ATOM 13761 H2 TIP3 4046 47.217 94.322 53.988 1.00 0.00 WT1 H ATOM 13762 OH2 TIP3 4049 51.417 0.615 43.397 1.00 0.00 WT1 O ATOM 13763 H1 TIP3 4049 52.352 0.723 43.219 1.00 0.00 WT1 H ATOM 13764 H2 TIP3 4049 51.298 -0.330 43.490 1.00 0.00 WT1 H ATOM 13765 OH2 TIP3 4050 50.636 84.606 60.453 1.00 0.00 WT1 O ATOM 13766 H1 TIP3 4050 51.216 83.863 60.625 1.00 0.00 WT1 H ATOM 13767 H2 TIP3 4050 50.314 84.863 61.317 1.00 0.00 WT1 H ATOM 13768 OH2 TIP3 4052 82.814 61.984 61.845 1.00 0.00 WT1 O ATOM 13769 H1 TIP3 4052 82.036 61.538 62.180 1.00 0.00 WT1 H ATOM 13770 H2 TIP3 4052 82.492 62.831 61.538 1.00 0.00 WT1 H ATOM 13771 OH2 TIP3 4053 84.866 14.033 2.599 1.00 0.00 WT1 O ATOM 13772 H1 TIP3 4053 84.282 14.576 3.128 1.00 0.00 WT1 H ATOM 13773 H2 TIP3 4053 85.638 13.905 3.150 1.00 0.00 WT1 H ATOM 13774 OH2 TIP3 4054 77.497 44.745 7.064 1.00 0.00 WT1 O ATOM 13775 H1 TIP3 4054 77.620 45.487 6.473 1.00 0.00 WT1 H ATOM 13776 H2 TIP3 4054 77.011 45.106 7.806 1.00 0.00 WT1 H ATOM 13777 OH2 TIP3 4055 33.253 55.398 61.999 1.00 0.00 WT1 O ATOM 13778 H1 TIP3 4055 33.200 56.028 62.717 1.00 0.00 WT1 H ATOM 13779 H2 TIP3 4055 32.553 55.658 61.399 1.00 0.00 WT1 H ATOM 13780 OH2 TIP3 4056 83.900 29.325 -8.217 1.00 0.00 WT1 O ATOM 13781 H1 TIP3 4056 83.225 28.964 -7.642 1.00 0.00 WT1 H ATOM 13782 H2 TIP3 4056 84.098 28.617 -8.829 1.00 0.00 WT1 H ATOM 13783 OH2 TIP3 4057 71.428 16.927 -14.179 1.00 0.00 WT1 O ATOM 13784 H1 TIP3 4057 70.570 17.215 -13.868 1.00 0.00 WT1 H ATOM 13785 H2 TIP3 4057 71.759 17.667 -14.689 1.00 0.00 WT1 H ATOM 13786 OH2 TIP3 4059 25.671 59.884 -14.845 1.00 0.00 WT1 O ATOM 13787 H1 TIP3 4059 25.103 60.577 -15.182 1.00 0.00 WT1 H ATOM 13788 H2 TIP3 4059 25.334 59.705 -13.967 1.00 0.00 WT1 H ATOM 13789 OH2 TIP3 4060 31.002 53.540 -5.311 1.00 0.00 WT1 O ATOM 13790 H1 TIP3 4060 30.340 52.849 -5.333 1.00 0.00 WT1 H ATOM 13791 H2 TIP3 4060 31.472 53.396 -4.490 1.00 0.00 WT1 H ATOM 13792 OH2 TIP3 4061 21.241 77.299 29.402 1.00 0.00 WT1 O ATOM 13793 H1 TIP3 4061 21.797 76.810 30.008 1.00 0.00 WT1 H ATOM 13794 H2 TIP3 4061 21.394 76.887 28.551 1.00 0.00 WT1 H ATOM 13795 OH2 TIP3 4062 81.898 69.552 61.320 1.00 0.00 WT1 O ATOM 13796 H1 TIP3 4062 82.303 69.908 60.529 1.00 0.00 WT1 H ATOM 13797 H2 TIP3 4062 82.289 68.685 61.421 1.00 0.00 WT1 H ATOM 13798 OH2 TIP3 4064 32.721 12.195 46.437 1.00 0.00 WT1 O ATOM 13799 H1 TIP3 4064 33.237 11.560 46.933 1.00 0.00 WT1 H ATOM 13800 H2 TIP3 4064 33.334 12.551 45.793 1.00 0.00 WT1 H ATOM 13801 OH2 TIP3 4065 84.818 12.322 -17.346 1.00 0.00 WT1 O ATOM 13802 H1 TIP3 4065 84.923 13.270 -17.259 1.00 0.00 WT1 H ATOM 13803 H2 TIP3 4065 83.911 12.207 -17.632 1.00 0.00 WT1 H ATOM 13804 OH2 TIP3 4067 80.708 8.624 1.268 1.00 0.00 WT1 O ATOM 13805 H1 TIP3 4067 80.910 8.829 0.356 1.00 0.00 WT1 H ATOM 13806 H2 TIP3 4067 80.875 9.440 1.740 1.00 0.00 WT1 H ATOM 13807 OH2 TIP3 4068 87.397 42.522 28.050 1.00 0.00 WT1 O ATOM 13808 H1 TIP3 4068 86.814 42.064 27.444 1.00 0.00 WT1 H ATOM 13809 H2 TIP3 4068 88.199 42.667 27.549 1.00 0.00 WT1 H ATOM 13810 OH2 TIP3 4069 58.827 38.171 -11.432 1.00 0.00 WT1 O ATOM 13811 H1 TIP3 4069 59.749 38.051 -11.205 1.00 0.00 WT1 H ATOM 13812 H2 TIP3 4069 58.436 38.562 -10.650 1.00 0.00 WT1 H ATOM 13813 OH2 TIP3 4070 30.895 6.184 15.708 1.00 0.00 WT1 O ATOM 13814 H1 TIP3 4070 30.409 6.338 16.518 1.00 0.00 WT1 H ATOM 13815 H2 TIP3 4070 31.739 5.837 15.996 1.00 0.00 WT1 H ATOM 13816 OH2 TIP3 4071 33.827 91.564 26.703 1.00 0.00 WT1 O ATOM 13817 H1 TIP3 4071 34.685 91.465 27.115 1.00 0.00 WT1 H ATOM 13818 H2 TIP3 4071 33.644 90.706 26.321 1.00 0.00 WT1 H ATOM 13819 OH2 TIP3 4072 53.018 35.620 57.225 1.00 0.00 WT1 O ATOM 13820 H1 TIP3 4072 52.265 36.207 57.152 1.00 0.00 WT1 H ATOM 13821 H2 TIP3 4072 53.443 35.876 58.043 1.00 0.00 WT1 H ATOM 13822 OH2 TIP3 4073 82.285 72.262 56.776 1.00 0.00 WT1 O ATOM 13823 H1 TIP3 4073 81.453 72.111 56.328 1.00 0.00 WT1 H ATOM 13824 H2 TIP3 4073 82.928 71.777 56.259 1.00 0.00 WT1 H ATOM 13825 OH2 TIP3 4074 45.965 5.581 3.690 1.00 0.00 WT1 O ATOM 13826 H1 TIP3 4074 46.884 5.349 3.821 1.00 0.00 WT1 H ATOM 13827 H2 TIP3 4074 45.525 4.743 3.544 1.00 0.00 WT1 H ATOM 13828 OH2 TIP3 4075 58.884 71.745 -2.079 1.00 0.00 WT1 O ATOM 13829 H1 TIP3 4075 59.791 71.781 -1.774 1.00 0.00 WT1 H ATOM 13830 H2 TIP3 4075 58.382 71.478 -1.310 1.00 0.00 WT1 H ATOM 13831 OH2 TIP3 4076 52.209 25.888 64.134 1.00 0.00 WT1 O ATOM 13832 H1 TIP3 4076 51.474 25.819 64.744 1.00 0.00 WT1 H ATOM 13833 H2 TIP3 4076 51.888 26.459 63.436 1.00 0.00 WT1 H ATOM 13834 OH2 TIP3 4077 86.188 23.170 43.639 1.00 0.00 WT1 O ATOM 13835 H1 TIP3 4077 86.459 23.862 43.035 1.00 0.00 WT1 H ATOM 13836 H2 TIP3 4077 86.696 22.404 43.371 1.00 0.00 WT1 H ATOM 13837 OH2 TIP3 4078 22.330 13.236 -2.795 1.00 0.00 WT1 O ATOM 13838 H1 TIP3 4078 22.612 14.138 -2.948 1.00 0.00 WT1 H ATOM 13839 H2 TIP3 4078 23.006 12.699 -3.209 1.00 0.00 WT1 H ATOM 13840 OH2 TIP3 4079 40.875 64.317 58.824 1.00 0.00 WT1 O ATOM 13841 H1 TIP3 4079 41.319 63.966 58.052 1.00 0.00 WT1 H ATOM 13842 H2 TIP3 4079 41.147 65.234 58.862 1.00 0.00 WT1 H ATOM 13843 OH2 TIP3 4081 28.000 3.568 32.361 1.00 0.00 WT1 O ATOM 13844 H1 TIP3 4081 27.352 3.573 33.066 1.00 0.00 WT1 H ATOM 13845 H2 TIP3 4081 27.480 3.564 31.558 1.00 0.00 WT1 H ATOM 13846 OH2 TIP3 4082 23.882 82.260 16.032 1.00 0.00 WT1 O ATOM 13847 H1 TIP3 4082 24.414 81.824 15.367 1.00 0.00 WT1 H ATOM 13848 H2 TIP3 4082 24.307 82.041 16.861 1.00 0.00 WT1 H ATOM 13849 OH2 TIP3 4083 83.860 47.387 -10.589 1.00 0.00 WT1 O ATOM 13850 H1 TIP3 4083 83.524 46.944 -11.369 1.00 0.00 WT1 H ATOM 13851 H2 TIP3 4083 84.523 46.790 -10.241 1.00 0.00 WT1 H ATOM 13852 OH2 TIP3 4084 33.201 82.133 14.970 1.00 0.00 WT1 O ATOM 13853 H1 TIP3 4084 34.008 82.031 14.465 1.00 0.00 WT1 H ATOM 13854 H2 TIP3 4084 32.620 82.632 14.396 1.00 0.00 WT1 H ATOM 13855 OH2 TIP3 4087 27.979 80.611 61.672 1.00 0.00 WT1 O ATOM 13856 H1 TIP3 4087 28.506 79.889 61.331 1.00 0.00 WT1 H ATOM 13857 H2 TIP3 4087 27.567 80.994 60.897 1.00 0.00 WT1 H ATOM 13858 OH2 TIP3 4089 67.225 31.561 20.724 1.00 0.00 WT1 O ATOM 13859 H1 TIP3 4089 66.871 32.242 20.153 1.00 0.00 WT1 H ATOM 13860 H2 TIP3 4089 67.252 31.965 21.591 1.00 0.00 WT1 H ATOM 13861 OH2 TIP3 4090 71.073 91.110 35.349 1.00 0.00 WT1 O ATOM 13862 H1 TIP3 4090 71.980 90.873 35.152 1.00 0.00 WT1 H ATOM 13863 H2 TIP3 4090 70.614 91.011 34.515 1.00 0.00 WT1 H ATOM 13864 OH2 TIP3 4092 60.306 24.645 5.347 1.00 0.00 WT1 O ATOM 13865 H1 TIP3 4092 59.969 25.399 4.864 1.00 0.00 WT1 H ATOM 13866 H2 TIP3 4092 59.756 23.914 5.066 1.00 0.00 WT1 H ATOM 13867 OH2 TIP3 4093 39.429 19.292 61.509 1.00 0.00 WT1 O ATOM 13868 H1 TIP3 4093 38.921 18.903 62.221 1.00 0.00 WT1 H ATOM 13869 H2 TIP3 4093 38.960 19.039 60.713 1.00 0.00 WT1 H ATOM 13870 OH2 TIP3 4095 31.637 34.545 41.888 1.00 0.00 WT1 O ATOM 13871 H1 TIP3 4095 31.825 35.479 41.979 1.00 0.00 WT1 H ATOM 13872 H2 TIP3 4095 32.304 34.224 41.281 1.00 0.00 WT1 H ATOM 13873 OH2 TIP3 4096 65.879 79.806 53.479 1.00 0.00 WT1 O ATOM 13874 H1 TIP3 4096 65.655 79.888 52.552 1.00 0.00 WT1 H ATOM 13875 H2 TIP3 4096 66.439 79.031 53.523 1.00 0.00 WT1 H ATOM 13876 OH2 TIP3 4097 48.498 33.180 17.361 1.00 0.00 WT1 O ATOM 13877 H1 TIP3 4097 48.897 33.850 17.916 1.00 0.00 WT1 H ATOM 13878 H2 TIP3 4097 48.345 32.441 17.950 1.00 0.00 WT1 H ATOM 13879 OH2 TIP3 4098 49.399 35.374 18.708 1.00 0.00 WT1 O ATOM 13880 H1 TIP3 4098 49.489 36.327 18.671 1.00 0.00 WT1 H ATOM 13881 H2 TIP3 4098 49.921 35.114 19.467 1.00 0.00 WT1 H ATOM 13882 OH2 TIP3 4099 53.900 13.331 54.295 1.00 0.00 WT1 O ATOM 13883 H1 TIP3 4099 53.211 13.846 53.875 1.00 0.00 WT1 H ATOM 13884 H2 TIP3 4099 53.448 12.834 54.976 1.00 0.00 WT1 H ATOM 13885 OH2 TIP3 4100 31.128 70.261 52.202 1.00 0.00 WT1 O ATOM 13886 H1 TIP3 4100 30.329 70.742 52.414 1.00 0.00 WT1 H ATOM 13887 H2 TIP3 4100 31.688 70.374 52.970 1.00 0.00 WT1 H ATOM 13888 OH2 TIP3 4101 63.941 21.136 10.999 1.00 0.00 WT1 O ATOM 13889 H1 TIP3 4101 63.487 21.015 10.165 1.00 0.00 WT1 H ATOM 13890 H2 TIP3 4101 63.887 20.281 11.428 1.00 0.00 WT1 H ATOM 13891 OH2 TIP3 4102 32.400 46.495 -18.589 1.00 0.00 WT1 O ATOM 13892 H1 TIP3 4102 31.928 46.966 -17.902 1.00 0.00 WT1 H ATOM 13893 H2 TIP3 4102 32.468 45.598 -18.262 1.00 0.00 WT1 H ATOM 13894 OH2 TIP3 4103 75.589 38.092 -6.729 1.00 0.00 WT1 O ATOM 13895 H1 TIP3 4103 75.334 37.420 -6.097 1.00 0.00 WT1 H ATOM 13896 H2 TIP3 4103 74.808 38.223 -7.269 1.00 0.00 WT1 H ATOM 13897 OH2 TIP3 4104 33.406 20.430 -4.758 1.00 0.00 WT1 O ATOM 13898 H1 TIP3 4104 34.124 20.804 -4.247 1.00 0.00 WT1 H ATOM 13899 H2 TIP3 4104 32.613 20.730 -4.313 1.00 0.00 WT1 H ATOM 13900 OH2 TIP3 4106 21.384 80.749 -16.025 1.00 0.00 WT1 O ATOM 13901 H1 TIP3 4106 20.595 80.579 -16.540 1.00 0.00 WT1 H ATOM 13902 H2 TIP3 4106 21.484 79.972 -15.476 1.00 0.00 WT1 H ATOM 13903 OH2 TIP3 4109 49.935 80.864 26.237 1.00 0.00 WT1 O ATOM 13904 H1 TIP3 4109 50.163 80.452 25.403 1.00 0.00 WT1 H ATOM 13905 H2 TIP3 4109 50.138 80.200 26.896 1.00 0.00 WT1 H ATOM 13906 OH2 TIP3 4110 51.901 25.993 22.779 1.00 0.00 WT1 O ATOM 13907 H1 TIP3 4110 51.298 26.641 23.144 1.00 0.00 WT1 H ATOM 13908 H2 TIP3 4110 52.601 26.513 22.383 1.00 0.00 WT1 H ATOM 13909 OH2 TIP3 4112 47.994 43.645 53.018 1.00 0.00 WT1 O ATOM 13910 H1 TIP3 4112 48.288 44.526 52.788 1.00 0.00 WT1 H ATOM 13911 H2 TIP3 4112 48.001 43.632 53.975 1.00 0.00 WT1 H ATOM 13912 OH2 TIP3 4113 45.932 44.863 9.688 1.00 0.00 WT1 O ATOM 13913 H1 TIP3 4113 46.474 44.711 10.463 1.00 0.00 WT1 H ATOM 13914 H2 TIP3 4113 45.488 45.692 9.864 1.00 0.00 WT1 H ATOM 13915 OH2 TIP3 4114 63.036 53.912 60.648 1.00 0.00 WT1 O ATOM 13916 H1 TIP3 4114 62.543 53.150 60.951 1.00 0.00 WT1 H ATOM 13917 H2 TIP3 4114 62.380 54.604 60.562 1.00 0.00 WT1 H ATOM 13918 OH2 TIP3 4115 22.155 93.891 50.186 1.00 0.00 WT1 O ATOM 13919 H1 TIP3 4115 22.488 93.347 50.900 1.00 0.00 WT1 H ATOM 13920 H2 TIP3 4115 21.919 93.268 49.499 1.00 0.00 WT1 H ATOM 13921 OH2 TIP3 4116 48.051 42.827 62.474 1.00 0.00 WT1 O ATOM 13922 H1 TIP3 4116 48.768 43.442 62.316 1.00 0.00 WT1 H ATOM 13923 H2 TIP3 4116 47.883 42.431 61.619 1.00 0.00 WT1 H ATOM 13924 OH2 TIP3 4117 38.470 20.946 53.792 1.00 0.00 WT1 O ATOM 13925 H1 TIP3 4117 38.427 21.812 54.197 1.00 0.00 WT1 H ATOM 13926 H2 TIP3 4117 37.851 20.991 53.063 1.00 0.00 WT1 H ATOM 13927 OH2 TIP3 4118 65.613 36.883 33.127 1.00 0.00 WT1 O ATOM 13928 H1 TIP3 4118 64.701 37.166 33.196 1.00 0.00 WT1 H ATOM 13929 H2 TIP3 4118 65.847 37.048 32.214 1.00 0.00 WT1 H ATOM 13930 OH2 TIP3 4119 83.133 53.983 -12.195 1.00 0.00 WT1 O ATOM 13931 H1 TIP3 4119 83.385 54.023 -13.117 1.00 0.00 WT1 H ATOM 13932 H2 TIP3 4119 82.306 53.501 -12.193 1.00 0.00 WT1 H ATOM 13933 OH2 TIP3 4120 44.940 26.056 51.153 1.00 0.00 WT1 O ATOM 13934 H1 TIP3 4120 45.163 25.461 51.868 1.00 0.00 WT1 H ATOM 13935 H2 TIP3 4120 45.280 26.906 51.432 1.00 0.00 WT1 H ATOM 13936 OH2 TIP3 4121 76.488 56.732 -16.591 1.00 0.00 WT1 O ATOM 13937 H1 TIP3 4121 77.289 56.208 -16.610 1.00 0.00 WT1 H ATOM 13938 H2 TIP3 4121 76.691 57.458 -16.001 1.00 0.00 WT1 H ATOM 13939 OH2 TIP3 4123 66.151 30.679 8.726 1.00 0.00 WT1 O ATOM 13940 H1 TIP3 4123 66.191 31.552 8.336 1.00 0.00 WT1 H ATOM 13941 H2 TIP3 4123 65.583 30.180 8.140 1.00 0.00 WT1 H ATOM 13942 OH2 TIP3 4125 43.500 32.059 5.817 1.00 0.00 WT1 O ATOM 13943 H1 TIP3 4125 43.641 31.570 6.627 1.00 0.00 WT1 H ATOM 13944 H2 TIP3 4125 43.518 32.978 6.085 1.00 0.00 WT1 H ATOM 13945 OH2 TIP3 4130 29.670 51.281 62.978 1.00 0.00 WT1 O ATOM 13946 H1 TIP3 4130 29.520 50.780 63.780 1.00 0.00 WT1 H ATOM 13947 H2 TIP3 4130 29.075 52.027 63.047 1.00 0.00 WT1 H ATOM 13948 OH2 TIP3 4131 73.031 15.952 0.454 1.00 0.00 WT1 O ATOM 13949 H1 TIP3 4131 72.191 15.770 0.875 1.00 0.00 WT1 H ATOM 13950 H2 TIP3 4131 73.455 15.097 0.386 1.00 0.00 WT1 H ATOM 13951 OH2 TIP3 4132 61.013 4.558 20.386 1.00 0.00 WT1 O ATOM 13952 H1 TIP3 4132 60.834 3.621 20.304 1.00 0.00 WT1 H ATOM 13953 H2 TIP3 4132 60.891 4.903 19.501 1.00 0.00 WT1 H ATOM 13954 OH2 TIP3 4133 70.147 60.719 65.742 1.00 0.00 WT1 O ATOM 13955 H1 TIP3 4133 69.738 60.125 65.114 1.00 0.00 WT1 H ATOM 13956 H2 TIP3 4133 69.414 61.178 66.152 1.00 0.00 WT1 H ATOM 13957 OH2 TIP3 4134 46.449 12.727 -0.191 1.00 0.00 WT1 O ATOM 13958 H1 TIP3 4134 46.859 13.586 -0.293 1.00 0.00 WT1 H ATOM 13959 H2 TIP3 4134 46.299 12.643 0.750 1.00 0.00 WT1 H ATOM 13960 OH2 TIP3 4135 59.796 34.353 24.101 1.00 0.00 WT1 O ATOM 13961 H1 TIP3 4135 59.493 34.153 23.215 1.00 0.00 WT1 H ATOM 13962 H2 TIP3 4135 59.527 33.596 24.622 1.00 0.00 WT1 H ATOM 13963 OH2 TIP3 4136 65.468 7.835 42.012 1.00 0.00 WT1 O ATOM 13964 H1 TIP3 4136 66.339 7.887 41.620 1.00 0.00 WT1 H ATOM 13965 H2 TIP3 4136 64.935 7.387 41.355 1.00 0.00 WT1 H ATOM 13966 OH2 TIP3 4137 31.965 29.744 47.921 1.00 0.00 WT1 O ATOM 13967 H1 TIP3 4137 32.632 29.387 47.335 1.00 0.00 WT1 H ATOM 13968 H2 TIP3 4137 31.281 29.075 47.943 1.00 0.00 WT1 H ATOM 13969 OH2 TIP3 4138 33.436 19.589 -0.784 1.00 0.00 WT1 O ATOM 13970 H1 TIP3 4138 33.558 20.521 -0.605 1.00 0.00 WT1 H ATOM 13971 H2 TIP3 4138 34.256 19.181 -0.504 1.00 0.00 WT1 H ATOM 13972 OH2 TIP3 4139 51.583 86.361 -1.608 1.00 0.00 WT1 O ATOM 13973 H1 TIP3 4139 50.780 86.327 -1.088 1.00 0.00 WT1 H ATOM 13974 H2 TIP3 4139 51.599 85.528 -2.079 1.00 0.00 WT1 H ATOM 13975 OH2 TIP3 4140 62.500 22.063 61.766 1.00 0.00 WT1 O ATOM 13976 H1 TIP3 4140 63.099 22.584 61.231 1.00 0.00 WT1 H ATOM 13977 H2 TIP3 4140 62.742 22.271 62.668 1.00 0.00 WT1 H ATOM 13978 OH2 TIP3 4141 83.310 25.851 4.870 1.00 0.00 WT1 O ATOM 13979 H1 TIP3 4141 84.050 25.283 5.085 1.00 0.00 WT1 H ATOM 13980 H2 TIP3 4141 83.256 25.825 3.915 1.00 0.00 WT1 H ATOM 13981 OH2 TIP3 4142 69.150 39.099 49.091 1.00 0.00 WT1 O ATOM 13982 H1 TIP3 4142 68.857 39.999 48.944 1.00 0.00 WT1 H ATOM 13983 H2 TIP3 4142 68.457 38.705 49.621 1.00 0.00 WT1 H ATOM 13984 OH2 TIP3 4143 78.593 14.338 65.442 1.00 0.00 WT1 O ATOM 13985 H1 TIP3 4143 79.406 13.996 65.814 1.00 0.00 WT1 H ATOM 13986 H2 TIP3 4143 78.547 13.949 64.568 1.00 0.00 WT1 H ATOM 13987 OH2 TIP3 4144 71.599 31.126 9.593 1.00 0.00 WT1 O ATOM 13988 H1 TIP3 4144 72.036 31.594 8.882 1.00 0.00 WT1 H ATOM 13989 H2 TIP3 4144 70.671 31.334 9.484 1.00 0.00 WT1 H ATOM 13990 OH2 TIP3 4145 28.225 93.426 45.314 1.00 0.00 WT1 O ATOM 13991 H1 TIP3 4145 28.518 94.224 45.753 1.00 0.00 WT1 H ATOM 13992 H2 TIP3 4145 27.451 93.695 44.819 1.00 0.00 WT1 H ATOM 13993 OH2 TIP3 4147 25.417 8.092 49.463 1.00 0.00 WT1 O ATOM 13994 H1 TIP3 4147 25.674 7.822 50.345 1.00 0.00 WT1 H ATOM 13995 H2 TIP3 4147 26.036 8.784 49.234 1.00 0.00 WT1 H ATOM 13996 OH2 TIP3 4151 21.955 82.976 -3.697 1.00 0.00 WT1 O ATOM 13997 H1 TIP3 4151 21.271 82.474 -3.254 1.00 0.00 WT1 H ATOM 13998 H2 TIP3 4151 21.938 83.832 -3.269 1.00 0.00 WT1 H ATOM 13999 OH2 TIP3 4153 38.819 76.808 54.029 1.00 0.00 WT1 O ATOM 14000 H1 TIP3 4153 37.942 77.170 54.151 1.00 0.00 WT1 H ATOM 14001 H2 TIP3 4153 38.884 76.646 53.088 1.00 0.00 WT1 H ATOM 14002 OH2 TIP3 4154 53.647 50.647 50.489 1.00 0.00 WT1 O ATOM 14003 H1 TIP3 4154 54.268 50.016 50.124 1.00 0.00 WT1 H ATOM 14004 H2 TIP3 4154 53.277 51.089 49.725 1.00 0.00 WT1 H ATOM 14005 OH2 TIP3 4155 47.360 62.649 -19.601 1.00 0.00 WT1 O ATOM 14006 H1 TIP3 4155 47.193 63.534 -19.276 1.00 0.00 WT1 H ATOM 14007 H2 TIP3 4155 47.215 62.709 -20.545 1.00 0.00 WT1 H ATOM 14008 OH2 TIP3 4156 78.499 85.129 22.772 1.00 0.00 WT1 O ATOM 14009 H1 TIP3 4156 78.706 86.054 22.903 1.00 0.00 WT1 H ATOM 14010 H2 TIP3 4156 79.213 84.798 22.228 1.00 0.00 WT1 H ATOM 14011 OH2 TIP3 4157 79.236 24.196 -19.603 1.00 0.00 WT1 O ATOM 14012 H1 TIP3 4157 79.390 25.140 -19.559 1.00 0.00 WT1 H ATOM 14013 H2 TIP3 4157 78.286 24.111 -19.677 1.00 0.00 WT1 H ATOM 14014 OH2 TIP3 4158 26.416 4.074 -9.481 1.00 0.00 WT1 O ATOM 14015 H1 TIP3 4158 26.298 4.918 -9.917 1.00 0.00 WT1 H ATOM 14016 H2 TIP3 4158 26.363 3.430 -10.187 1.00 0.00 WT1 H ATOM 14017 OH2 TIP3 4159 80.238 41.031 -6.946 1.00 0.00 WT1 O ATOM 14018 H1 TIP3 4159 79.397 40.652 -6.690 1.00 0.00 WT1 H ATOM 14019 H2 TIP3 4159 80.011 41.869 -7.348 1.00 0.00 WT1 H ATOM 14020 OH2 TIP3 4160 34.785 25.428 51.703 1.00 0.00 WT1 O ATOM 14021 H1 TIP3 4160 34.959 25.572 52.634 1.00 0.00 WT1 H ATOM 14022 H2 TIP3 4160 33.830 25.423 51.636 1.00 0.00 WT1 H ATOM 14023 OH2 TIP3 4161 48.178 88.306 64.725 1.00 0.00 WT1 O ATOM 14024 H1 TIP3 4161 48.268 88.739 65.573 1.00 0.00 WT1 H ATOM 14025 H2 TIP3 4161 48.511 88.944 64.093 1.00 0.00 WT1 H ATOM 14026 OH2 TIP3 4162 22.746 66.708 -9.118 1.00 0.00 WT1 O ATOM 14027 H1 TIP3 4162 23.300 67.471 -9.278 1.00 0.00 WT1 H ATOM 14028 H2 TIP3 4162 23.326 66.072 -8.699 1.00 0.00 WT1 H ATOM 14029 OH2 TIP3 4164 82.769 48.039 20.911 1.00 0.00 WT1 O ATOM 14030 H1 TIP3 4164 82.825 47.481 21.687 1.00 0.00 WT1 H ATOM 14031 H2 TIP3 4164 82.466 48.884 21.245 1.00 0.00 WT1 H ATOM 14032 OH2 TIP3 4165 53.341 23.541 18.786 1.00 0.00 WT1 O ATOM 14033 H1 TIP3 4165 52.436 23.558 18.476 1.00 0.00 WT1 H ATOM 14034 H2 TIP3 4165 53.600 24.462 18.821 1.00 0.00 WT1 H ATOM 14035 OH2 TIP3 4166 59.446 27.183 15.897 1.00 0.00 WT1 O ATOM 14036 H1 TIP3 4166 58.546 27.442 16.098 1.00 0.00 WT1 H ATOM 14037 H2 TIP3 4166 59.355 26.488 15.245 1.00 0.00 WT1 H ATOM 14038 OH2 TIP3 4167 48.198 7.484 8.090 1.00 0.00 WT1 O ATOM 14039 H1 TIP3 4167 48.948 7.137 8.573 1.00 0.00 WT1 H ATOM 14040 H2 TIP3 4167 47.501 7.550 8.743 1.00 0.00 WT1 H ATOM 14041 OH2 TIP3 4169 47.695 39.915 58.198 1.00 0.00 WT1 O ATOM 14042 H1 TIP3 4169 48.386 40.450 57.807 1.00 0.00 WT1 H ATOM 14043 H2 TIP3 4169 46.929 40.072 57.646 1.00 0.00 WT1 H ATOM 14044 OH2 TIP3 4173 22.671 57.617 37.295 1.00 0.00 WT1 O ATOM 14045 H1 TIP3 4173 22.171 57.344 38.064 1.00 0.00 WT1 H ATOM 14046 H2 TIP3 4173 23.578 57.403 37.510 1.00 0.00 WT1 H ATOM 14047 OH2 TIP3 4174 46.688 27.554 42.857 1.00 0.00 WT1 O ATOM 14048 H1 TIP3 4174 46.331 28.396 43.140 1.00 0.00 WT1 H ATOM 14049 H2 TIP3 4174 47.614 27.729 42.690 1.00 0.00 WT1 H ATOM 14050 OH2 TIP3 4175 81.424 77.917 14.859 1.00 0.00 WT1 O ATOM 14051 H1 TIP3 4175 80.901 78.205 15.607 1.00 0.00 WT1 H ATOM 14052 H2 TIP3 4175 81.577 76.986 15.017 1.00 0.00 WT1 H ATOM 14053 OH2 TIP3 4177 34.524 3.983 -16.025 1.00 0.00 WT1 O ATOM 14054 H1 TIP3 4177 34.085 3.753 -15.206 1.00 0.00 WT1 H ATOM 14055 H2 TIP3 4177 34.016 4.715 -16.373 1.00 0.00 WT1 H ATOM 14056 OH2 TIP3 4178 81.739 77.433 36.312 1.00 0.00 WT1 O ATOM 14057 H1 TIP3 4178 81.896 77.103 37.197 1.00 0.00 WT1 H ATOM 14058 H2 TIP3 4178 82.614 77.556 35.943 1.00 0.00 WT1 H ATOM 14059 OH2 TIP3 4180 42.005 52.427 42.225 1.00 0.00 WT1 O ATOM 14060 H1 TIP3 4180 42.948 52.283 42.309 1.00 0.00 WT1 H ATOM 14061 H2 TIP3 4180 41.795 52.133 41.339 1.00 0.00 WT1 H ATOM 14062 OH2 TIP3 4181 80.191 48.010 -2.677 1.00 0.00 WT1 O ATOM 14063 H1 TIP3 4181 79.288 47.713 -2.563 1.00 0.00 WT1 H ATOM 14064 H2 TIP3 4181 80.110 48.897 -3.029 1.00 0.00 WT1 H ATOM 14065 OH2 TIP3 4182 49.053 49.916 7.478 1.00 0.00 WT1 O ATOM 14066 H1 TIP3 4182 49.161 49.381 8.264 1.00 0.00 WT1 H ATOM 14067 H2 TIP3 4182 49.939 50.210 7.264 1.00 0.00 WT1 H ATOM 14068 OH2 TIP3 4183 86.387 21.701 -4.094 1.00 0.00 WT1 O ATOM 14069 H1 TIP3 4183 86.110 22.612 -4.191 1.00 0.00 WT1 H ATOM 14070 H2 TIP3 4183 87.024 21.568 -4.797 1.00 0.00 WT1 H ATOM 14071 OH2 TIP3 4184 64.524 60.720 18.929 1.00 0.00 WT1 O ATOM 14072 H1 TIP3 4184 63.630 60.851 19.245 1.00 0.00 WT1 H ATOM 14073 H2 TIP3 4184 64.431 60.126 18.185 1.00 0.00 WT1 H ATOM 14074 OH2 TIP3 4186 71.891 25.431 -11.492 1.00 0.00 WT1 O ATOM 14075 H1 TIP3 4186 72.336 25.905 -10.790 1.00 0.00 WT1 H ATOM 14076 H2 TIP3 4186 72.596 25.141 -12.071 1.00 0.00 WT1 H ATOM 14077 OH2 TIP3 4187 45.373 54.354 9.759 1.00 0.00 WT1 O ATOM 14078 H1 TIP3 4187 45.604 55.244 9.495 1.00 0.00 WT1 H ATOM 14079 H2 TIP3 4187 44.908 54.463 10.588 1.00 0.00 WT1 H ATOM 14080 OH2 TIP3 4189 73.019 25.914 6.481 1.00 0.00 WT1 O ATOM 14081 H1 TIP3 4189 72.549 25.257 6.995 1.00 0.00 WT1 H ATOM 14082 H2 TIP3 4189 73.118 26.658 7.075 1.00 0.00 WT1 H ATOM 14083 OH2 TIP3 4191 37.542 20.191 -18.543 1.00 0.00 WT1 O ATOM 14084 H1 TIP3 4191 37.901 20.863 -17.963 1.00 0.00 WT1 H ATOM 14085 H2 TIP3 4191 36.707 19.951 -18.143 1.00 0.00 WT1 H ATOM 14086 OH2 TIP3 4192 81.289 0.550 37.798 1.00 0.00 WT1 O ATOM 14087 H1 TIP3 4192 80.543 -0.021 37.982 1.00 0.00 WT1 H ATOM 14088 H2 TIP3 4192 81.922 0.347 38.487 1.00 0.00 WT1 H ATOM 14089 OH2 TIP3 4194 27.613 24.876 -15.733 1.00 0.00 WT1 O ATOM 14090 H1 TIP3 4194 28.123 25.642 -15.997 1.00 0.00 WT1 H ATOM 14091 H2 TIP3 4194 26.767 25.233 -15.464 1.00 0.00 WT1 H ATOM 14092 OH2 TIP3 4196 81.919 37.199 31.586 1.00 0.00 WT1 O ATOM 14093 H1 TIP3 4196 80.996 37.391 31.419 1.00 0.00 WT1 H ATOM 14094 H2 TIP3 4196 81.904 36.435 32.163 1.00 0.00 WT1 H ATOM 14095 OH2 TIP3 4197 56.453 7.967 29.457 1.00 0.00 WT1 O ATOM 14096 H1 TIP3 4197 56.901 8.131 30.287 1.00 0.00 WT1 H ATOM 14097 H2 TIP3 4197 57.021 8.361 28.795 1.00 0.00 WT1 H ATOM 14098 OH2 TIP3 4198 60.878 16.782 -1.524 1.00 0.00 WT1 O ATOM 14099 H1 TIP3 4198 60.967 16.588 -2.457 1.00 0.00 WT1 H ATOM 14100 H2 TIP3 4198 61.682 16.442 -1.131 1.00 0.00 WT1 H ATOM 14101 OH2 TIP3 4199 59.660 23.563 36.187 1.00 0.00 WT1 O ATOM 14102 H1 TIP3 4199 59.506 24.425 36.573 1.00 0.00 WT1 H ATOM 14103 H2 TIP3 4199 58.975 23.471 35.525 1.00 0.00 WT1 H ATOM 14104 OH2 TIP3 4200 29.987 70.527 -4.150 1.00 0.00 WT1 O ATOM 14105 H1 TIP3 4200 30.662 71.033 -4.604 1.00 0.00 WT1 H ATOM 14106 H2 TIP3 4200 30.431 70.169 -3.382 1.00 0.00 WT1 H ATOM 14107 OH2 TIP3 4201 58.688 8.193 62.022 1.00 0.00 WT1 O ATOM 14108 H1 TIP3 4201 59.209 7.533 61.566 1.00 0.00 WT1 H ATOM 14109 H2 TIP3 4201 58.623 8.919 61.401 1.00 0.00 WT1 H ATOM 14110 OH2 TIP3 4202 42.883 22.235 -15.379 1.00 0.00 WT1 O ATOM 14111 H1 TIP3 4202 42.661 21.711 -16.148 1.00 0.00 WT1 H ATOM 14112 H2 TIP3 4202 42.138 22.124 -14.789 1.00 0.00 WT1 H ATOM 14113 OH2 TIP3 4204 89.967 40.762 63.550 1.00 0.00 WT1 O ATOM 14114 H1 TIP3 4204 89.855 41.590 64.017 1.00 0.00 WT1 H ATOM 14115 H2 TIP3 4204 89.938 40.094 64.235 1.00 0.00 WT1 H ATOM 14116 OH2 TIP3 4205 38.476 45.149 -16.607 1.00 0.00 WT1 O ATOM 14117 H1 TIP3 4205 38.830 45.541 -15.808 1.00 0.00 WT1 H ATOM 14118 H2 TIP3 4205 38.824 45.692 -17.315 1.00 0.00 WT1 H ATOM 14119 OH2 TIP3 4207 25.219 27.829 13.862 1.00 0.00 WT1 O ATOM 14120 H1 TIP3 4207 25.737 28.574 13.554 1.00 0.00 WT1 H ATOM 14121 H2 TIP3 4207 25.296 27.861 14.815 1.00 0.00 WT1 H ATOM 14122 OH2 TIP3 4209 74.913 47.804 -8.183 1.00 0.00 WT1 O ATOM 14123 H1 TIP3 4209 74.268 47.113 -8.336 1.00 0.00 WT1 H ATOM 14124 H2 TIP3 4209 74.607 48.247 -7.392 1.00 0.00 WT1 H ATOM 14125 OH2 TIP3 4217 44.083 12.348 24.783 1.00 0.00 WT1 O ATOM 14126 H1 TIP3 4217 44.333 11.542 24.331 1.00 0.00 WT1 H ATOM 14127 H2 TIP3 4217 44.502 13.046 24.280 1.00 0.00 WT1 H ATOM 14128 OH2 TIP3 4218 49.866 27.094 4.193 1.00 0.00 WT1 O ATOM 14129 H1 TIP3 4218 50.327 26.735 3.435 1.00 0.00 WT1 H ATOM 14130 H2 TIP3 4218 50.129 26.533 4.922 1.00 0.00 WT1 H ATOM 14131 OH2 TIP3 4219 50.211 64.703 49.565 1.00 0.00 WT1 O ATOM 14132 H1 TIP3 4219 50.866 65.325 49.249 1.00 0.00 WT1 H ATOM 14133 H2 TIP3 4219 49.398 65.209 49.601 1.00 0.00 WT1 H ATOM 14134 OH2 TIP3 4220 29.005 9.159 29.052 1.00 0.00 WT1 O ATOM 14135 H1 TIP3 4220 28.852 9.718 29.814 1.00 0.00 WT1 H ATOM 14136 H2 TIP3 4220 29.356 9.751 28.387 1.00 0.00 WT1 H ATOM 14137 OH2 TIP3 4221 74.172 3.903 50.966 1.00 0.00 WT1 O ATOM 14138 H1 TIP3 4221 74.033 4.780 50.607 1.00 0.00 WT1 H ATOM 14139 H2 TIP3 4221 74.450 3.378 50.215 1.00 0.00 WT1 H ATOM 14140 OH2 TIP3 4222 60.225 24.106 -7.313 1.00 0.00 WT1 O ATOM 14141 H1 TIP3 4222 60.274 23.538 -6.544 1.00 0.00 WT1 H ATOM 14142 H2 TIP3 4222 59.293 24.135 -7.531 1.00 0.00 WT1 H ATOM 14143 OH2 TIP3 4223 52.756 59.195 48.835 1.00 0.00 WT1 O ATOM 14144 H1 TIP3 4223 52.142 59.710 48.310 1.00 0.00 WT1 H ATOM 14145 H2 TIP3 4223 53.554 59.724 48.859 1.00 0.00 WT1 H ATOM 14146 OH2 TIP3 4224 67.691 54.674 59.905 1.00 0.00 WT1 O ATOM 14147 H1 TIP3 4224 67.660 55.321 60.610 1.00 0.00 WT1 H ATOM 14148 H2 TIP3 4224 66.786 54.610 59.599 1.00 0.00 WT1 H ATOM 14149 OH2 TIP3 4225 66.165 24.866 1.305 1.00 0.00 WT1 O ATOM 14150 H1 TIP3 4225 66.866 24.890 1.956 1.00 0.00 WT1 H ATOM 14151 H2 TIP3 4225 66.374 25.578 0.700 1.00 0.00 WT1 H ATOM 14152 OH2 TIP3 4226 54.860 25.954 -4.596 1.00 0.00 WT1 O ATOM 14153 H1 TIP3 4226 53.962 25.664 -4.435 1.00 0.00 WT1 H ATOM 14154 H2 TIP3 4226 55.140 26.340 -3.766 1.00 0.00 WT1 H ATOM 14155 OH2 TIP3 4227 38.818 44.171 -1.006 1.00 0.00 WT1 O ATOM 14156 H1 TIP3 4227 39.543 44.786 -0.894 1.00 0.00 WT1 H ATOM 14157 H2 TIP3 4227 38.848 43.619 -0.225 1.00 0.00 WT1 H ATOM 14158 OH2 TIP3 4228 43.211 72.575 -16.906 1.00 0.00 WT1 O ATOM 14159 H1 TIP3 4228 42.391 73.008 -16.667 1.00 0.00 WT1 H ATOM 14160 H2 TIP3 4228 43.845 73.288 -16.982 1.00 0.00 WT1 H ATOM 14161 OH2 TIP3 4229 76.950 14.253 54.519 1.00 0.00 WT1 O ATOM 14162 H1 TIP3 4229 76.083 14.558 54.789 1.00 0.00 WT1 H ATOM 14163 H2 TIP3 4229 76.810 13.348 54.241 1.00 0.00 WT1 H ATOM 14164 OH2 TIP3 4231 26.658 17.562 43.261 1.00 0.00 WT1 O ATOM 14165 H1 TIP3 4231 25.894 17.570 42.684 1.00 0.00 WT1 H ATOM 14166 H2 TIP3 4231 27.176 18.318 42.984 1.00 0.00 WT1 H ATOM 14167 OH2 TIP3 4232 67.587 16.761 24.411 1.00 0.00 WT1 O ATOM 14168 H1 TIP3 4232 67.267 17.640 24.206 1.00 0.00 WT1 H ATOM 14169 H2 TIP3 4232 68.443 16.905 24.812 1.00 0.00 WT1 H ATOM 14170 OH2 TIP3 4234 30.547 28.894 -6.411 1.00 0.00 WT1 O ATOM 14171 H1 TIP3 4234 30.889 29.360 -5.647 1.00 0.00 WT1 H ATOM 14172 H2 TIP3 4234 30.633 29.517 -7.131 1.00 0.00 WT1 H ATOM 14173 OH2 TIP3 4239 89.408 5.032 -10.035 1.00 0.00 WT1 O ATOM 14174 H1 TIP3 4239 89.075 4.489 -9.320 1.00 0.00 WT1 H ATOM 14175 H2 TIP3 4239 90.168 4.553 -10.366 1.00 0.00 WT1 H ATOM 14176 OH2 TIP3 4240 44.566 56.920 46.365 1.00 0.00 WT1 O ATOM 14177 H1 TIP3 4240 43.676 56.752 46.053 1.00 0.00 WT1 H ATOM 14178 H2 TIP3 4240 44.834 57.716 45.906 1.00 0.00 WT1 H ATOM 14179 OH2 TIP3 4241 55.938 22.349 59.981 1.00 0.00 WT1 O ATOM 14180 H1 TIP3 4241 56.599 21.673 60.133 1.00 0.00 WT1 H ATOM 14181 H2 TIP3 4241 55.948 22.878 60.779 1.00 0.00 WT1 H ATOM 14182 OH2 TIP3 4243 58.167 3.262 -7.771 1.00 0.00 WT1 O ATOM 14183 H1 TIP3 4243 58.349 3.047 -6.856 1.00 0.00 WT1 H ATOM 14184 H2 TIP3 4243 57.468 2.660 -8.025 1.00 0.00 WT1 H ATOM 14185 OH2 TIP3 4245 53.228 36.720 -10.689 1.00 0.00 WT1 O ATOM 14186 H1 TIP3 4245 52.986 37.346 -11.372 1.00 0.00 WT1 H ATOM 14187 H2 TIP3 4245 52.486 36.725 -10.084 1.00 0.00 WT1 H ATOM 14188 OH2 TIP3 4246 21.951 91.218 49.067 1.00 0.00 WT1 O ATOM 14189 H1 TIP3 4246 21.509 90.623 49.674 1.00 0.00 WT1 H ATOM 14190 H2 TIP3 4246 21.707 90.898 48.198 1.00 0.00 WT1 H ATOM 14191 OH2 TIP3 4247 61.380 73.690 -12.419 1.00 0.00 WT1 O ATOM 14192 H1 TIP3 4247 60.919 73.881 -11.602 1.00 0.00 WT1 H ATOM 14193 H2 TIP3 4247 62.126 73.152 -12.154 1.00 0.00 WT1 H ATOM 14194 OH2 TIP3 4249 62.397 29.535 46.176 1.00 0.00 WT1 O ATOM 14195 H1 TIP3 4249 62.571 30.323 46.691 1.00 0.00 WT1 H ATOM 14196 H2 TIP3 4249 61.847 28.994 46.744 1.00 0.00 WT1 H ATOM 14197 OH2 TIP3 4251 86.890 18.298 3.551 1.00 0.00 WT1 O ATOM 14198 H1 TIP3 4251 86.972 17.608 4.210 1.00 0.00 WT1 H ATOM 14199 H2 TIP3 4251 86.014 18.177 3.185 1.00 0.00 WT1 H ATOM 14200 OH2 TIP3 4255 50.096 42.834 24.313 1.00 0.00 WT1 O ATOM 14201 H1 TIP3 4255 49.923 43.600 23.766 1.00 0.00 WT1 H ATOM 14202 H2 TIP3 4255 51.028 42.656 24.189 1.00 0.00 WT1 H ATOM 14203 OH2 TIP3 4258 53.806 44.055 38.515 1.00 0.00 WT1 O ATOM 14204 H1 TIP3 4258 53.827 43.098 38.525 1.00 0.00 WT1 H ATOM 14205 H2 TIP3 4258 54.540 44.305 37.953 1.00 0.00 WT1 H ATOM 14206 OH2 TIP3 4259 39.162 46.043 45.675 1.00 0.00 WT1 O ATOM 14207 H1 TIP3 4259 38.333 46.379 45.333 1.00 0.00 WT1 H ATOM 14208 H2 TIP3 4259 39.275 46.492 46.513 1.00 0.00 WT1 H ATOM 14209 OH2 TIP3 4261 74.790 39.996 16.356 1.00 0.00 WT1 O ATOM 14210 H1 TIP3 4261 75.153 40.544 15.660 1.00 0.00 WT1 H ATOM 14211 H2 TIP3 4261 75.335 39.209 16.351 1.00 0.00 WT1 H ATOM 14212 OH2 TIP3 4262 81.788 32.160 0.517 1.00 0.00 WT1 O ATOM 14213 H1 TIP3 4262 82.214 32.343 1.354 1.00 0.00 WT1 H ATOM 14214 H2 TIP3 4262 81.473 33.013 0.217 1.00 0.00 WT1 H ATOM 14215 OH2 TIP3 4263 90.712 85.747 37.345 1.00 0.00 WT1 O ATOM 14216 H1 TIP3 4263 90.196 85.165 36.788 1.00 0.00 WT1 H ATOM 14217 H2 TIP3 4263 90.610 85.389 38.227 1.00 0.00 WT1 H ATOM 14218 OH2 TIP3 4264 51.066 38.207 40.894 1.00 0.00 WT1 O ATOM 14219 H1 TIP3 4264 50.786 37.414 40.436 1.00 0.00 WT1 H ATOM 14220 H2 TIP3 4264 50.484 38.892 40.565 1.00 0.00 WT1 H ATOM 14221 OH2 TIP3 4266 81.102 62.675 -19.580 1.00 0.00 WT1 O ATOM 14222 H1 TIP3 4266 81.645 62.952 -20.318 1.00 0.00 WT1 H ATOM 14223 H2 TIP3 4266 81.705 62.647 -18.836 1.00 0.00 WT1 H ATOM 14224 OH2 TIP3 4267 49.801 18.775 -2.677 1.00 0.00 WT1 O ATOM 14225 H1 TIP3 4267 50.627 19.104 -3.032 1.00 0.00 WT1 H ATOM 14226 H2 TIP3 4267 49.443 19.511 -2.181 1.00 0.00 WT1 H ATOM 14227 OH2 TIP3 4268 60.233 93.610 13.774 1.00 0.00 WT1 O ATOM 14228 H1 TIP3 4268 59.661 92.990 14.226 1.00 0.00 WT1 H ATOM 14229 H2 TIP3 4268 60.766 93.066 13.194 1.00 0.00 WT1 H ATOM 14230 OH2 TIP3 4269 82.693 35.409 7.583 1.00 0.00 WT1 O ATOM 14231 H1 TIP3 4269 83.047 35.692 6.740 1.00 0.00 WT1 H ATOM 14232 H2 TIP3 4269 81.939 35.979 7.731 1.00 0.00 WT1 H ATOM 14233 OH2 TIP3 4273 52.379 7.186 -19.208 1.00 0.00 WT1 O ATOM 14234 H1 TIP3 4273 52.981 6.551 -19.595 1.00 0.00 WT1 H ATOM 14235 H2 TIP3 4273 51.788 6.659 -18.669 1.00 0.00 WT1 H ATOM 14236 OH2 TIP3 4279 32.984 32.848 7.075 1.00 0.00 WT1 O ATOM 14237 H1 TIP3 4279 33.814 32.423 7.288 1.00 0.00 WT1 H ATOM 14238 H2 TIP3 4279 33.236 33.663 6.640 1.00 0.00 WT1 H ATOM 14239 OH2 TIP3 4282 46.262 35.319 55.481 1.00 0.00 WT1 O ATOM 14240 H1 TIP3 4282 46.625 35.673 56.293 1.00 0.00 WT1 H ATOM 14241 H2 TIP3 4282 47.025 35.179 54.919 1.00 0.00 WT1 H ATOM 14242 OH2 TIP3 4283 76.426 50.069 48.714 1.00 0.00 WT1 O ATOM 14243 H1 TIP3 4283 75.558 49.999 48.316 1.00 0.00 WT1 H ATOM 14244 H2 TIP3 4283 76.914 50.642 48.123 1.00 0.00 WT1 H ATOM 14245 OH2 TIP3 4284 69.932 68.511 50.981 1.00 0.00 WT1 O ATOM 14246 H1 TIP3 4284 69.720 68.660 50.060 1.00 0.00 WT1 H ATOM 14247 H2 TIP3 4284 70.597 67.823 50.966 1.00 0.00 WT1 H ATOM 14248 OH2 TIP3 4286 46.124 5.889 49.572 1.00 0.00 WT1 O ATOM 14249 H1 TIP3 4286 46.417 4.978 49.572 1.00 0.00 WT1 H ATOM 14250 H2 TIP3 4286 45.187 5.840 49.763 1.00 0.00 WT1 H ATOM 14251 OH2 TIP3 4287 63.775 69.081 -13.833 1.00 0.00 WT1 O ATOM 14252 H1 TIP3 4287 64.303 68.875 -14.604 1.00 0.00 WT1 H ATOM 14253 H2 TIP3 4287 64.401 69.438 -13.203 1.00 0.00 WT1 H ATOM 14254 OH2 TIP3 4288 62.041 9.246 19.382 1.00 0.00 WT1 O ATOM 14255 H1 TIP3 4288 62.436 8.831 18.615 1.00 0.00 WT1 H ATOM 14256 H2 TIP3 4288 62.700 9.872 19.683 1.00 0.00 WT1 H ATOM 14257 OH2 TIP3 4289 55.039 4.205 12.330 1.00 0.00 WT1 O ATOM 14258 H1 TIP3 4289 55.145 4.522 13.227 1.00 0.00 WT1 H ATOM 14259 H2 TIP3 4289 55.040 4.997 11.793 1.00 0.00 WT1 H ATOM 14260 OH2 TIP3 4290 38.181 23.111 59.082 1.00 0.00 WT1 O ATOM 14261 H1 TIP3 4290 39.117 23.092 59.280 1.00 0.00 WT1 H ATOM 14262 H2 TIP3 4290 37.992 22.240 58.734 1.00 0.00 WT1 H ATOM 14263 OH2 TIP3 4292 72.969 48.526 23.975 1.00 0.00 WT1 O ATOM 14264 H1 TIP3 4292 73.285 49.393 24.228 1.00 0.00 WT1 H ATOM 14265 H2 TIP3 4292 72.201 48.379 24.528 1.00 0.00 WT1 H ATOM 14266 OH2 TIP3 4294 24.471 64.638 59.274 1.00 0.00 WT1 O ATOM 14267 H1 TIP3 4294 25.180 64.309 58.721 1.00 0.00 WT1 H ATOM 14268 H2 TIP3 4294 24.219 63.888 59.813 1.00 0.00 WT1 H ATOM 14269 OH2 TIP3 4296 20.215 21.576 39.128 1.00 0.00 WT1 O ATOM 14270 H1 TIP3 4296 20.455 20.652 39.058 1.00 0.00 WT1 H ATOM 14271 H2 TIP3 4296 21.008 22.006 39.448 1.00 0.00 WT1 H ATOM 14272 OH2 TIP3 4297 40.865 22.903 13.047 1.00 0.00 WT1 O ATOM 14273 H1 TIP3 4297 40.193 22.645 12.416 1.00 0.00 WT1 H ATOM 14274 H2 TIP3 4297 41.483 22.172 13.053 1.00 0.00 WT1 H ATOM 14275 OH2 TIP3 4299 43.067 90.654 12.565 1.00 0.00 WT1 O ATOM 14276 H1 TIP3 4299 43.507 91.136 13.265 1.00 0.00 WT1 H ATOM 14277 H2 TIP3 4299 42.516 90.018 13.022 1.00 0.00 WT1 H ATOM 14278 OH2 TIP3 4301 58.406 35.503 50.008 1.00 0.00 WT1 O ATOM 14279 H1 TIP3 4301 57.966 34.659 49.902 1.00 0.00 WT1 H ATOM 14280 H2 TIP3 4301 57.780 36.041 50.493 1.00 0.00 WT1 H ATOM 14281 OH2 TIP3 4303 48.220 85.635 59.137 1.00 0.00 WT1 O ATOM 14282 H1 TIP3 4303 48.431 86.519 59.437 1.00 0.00 WT1 H ATOM 14283 H2 TIP3 4303 48.641 85.059 59.775 1.00 0.00 WT1 H ATOM 14284 OH2 TIP3 4304 20.784 83.462 -12.704 1.00 0.00 WT1 O ATOM 14285 H1 TIP3 4304 21.293 83.357 -11.900 1.00 0.00 WT1 H ATOM 14286 H2 TIP3 4304 21.341 83.093 -13.390 1.00 0.00 WT1 H ATOM 14287 OH2 TIP3 4306 61.914 49.461 4.956 1.00 0.00 WT1 O ATOM 14288 H1 TIP3 4306 62.264 50.206 5.445 1.00 0.00 WT1 H ATOM 14289 H2 TIP3 4306 62.315 48.695 5.365 1.00 0.00 WT1 H ATOM 14290 OH2 TIP3 4307 36.776 9.291 11.113 1.00 0.00 WT1 O ATOM 14291 H1 TIP3 4307 37.554 9.649 11.541 1.00 0.00 WT1 H ATOM 14292 H2 TIP3 4307 36.516 8.554 11.665 1.00 0.00 WT1 H ATOM 14293 OH2 TIP3 4308 21.830 39.788 12.242 1.00 0.00 WT1 O ATOM 14294 H1 TIP3 4308 21.276 39.075 12.560 1.00 0.00 WT1 H ATOM 14295 H2 TIP3 4308 21.993 40.328 13.015 1.00 0.00 WT1 H ATOM 14296 OH2 TIP3 4309 65.804 58.819 28.972 1.00 0.00 WT1 O ATOM 14297 H1 TIP3 4309 64.967 59.187 29.257 1.00 0.00 WT1 H ATOM 14298 H2 TIP3 4309 65.564 58.051 28.454 1.00 0.00 WT1 H ATOM 14299 OH2 TIP3 4311 68.768 72.994 -10.429 1.00 0.00 WT1 O ATOM 14300 H1 TIP3 4311 68.070 72.631 -10.973 1.00 0.00 WT1 H ATOM 14301 H2 TIP3 4311 68.382 73.058 -9.555 1.00 0.00 WT1 H ATOM 14302 OH2 TIP3 4312 77.713 30.212 18.347 1.00 0.00 WT1 O ATOM 14303 H1 TIP3 4312 77.750 30.086 19.295 1.00 0.00 WT1 H ATOM 14304 H2 TIP3 4312 78.628 30.198 18.067 1.00 0.00 WT1 H ATOM 14305 OH2 TIP3 4313 20.640 26.772 43.049 1.00 0.00 WT1 O ATOM 14306 H1 TIP3 4313 21.094 27.598 43.219 1.00 0.00 WT1 H ATOM 14307 H2 TIP3 4313 21.342 26.130 42.940 1.00 0.00 WT1 H ATOM 14308 OH2 TIP3 4317 59.279 74.272 -10.383 1.00 0.00 WT1 O ATOM 14309 H1 TIP3 4317 59.139 73.734 -9.604 1.00 0.00 WT1 H ATOM 14310 H2 TIP3 4317 58.736 73.862 -11.057 1.00 0.00 WT1 H ATOM 14311 OH2 TIP3 4318 77.282 39.441 36.831 1.00 0.00 WT1 O ATOM 14312 H1 TIP3 4318 77.934 38.853 36.448 1.00 0.00 WT1 H ATOM 14313 H2 TIP3 4318 77.024 40.015 36.109 1.00 0.00 WT1 H ATOM 14314 OH2 TIP3 4319 39.678 49.172 33.931 1.00 0.00 WT1 O ATOM 14315 H1 TIP3 4319 39.408 49.282 34.843 1.00 0.00 WT1 H ATOM 14316 H2 TIP3 4319 39.177 49.831 33.451 1.00 0.00 WT1 H ATOM 14317 OH2 TIP3 4321 47.636 19.729 -19.459 1.00 0.00 WT1 O ATOM 14318 H1 TIP3 4321 47.176 18.939 -19.173 1.00 0.00 WT1 H ATOM 14319 H2 TIP3 4321 47.786 19.593 -20.394 1.00 0.00 WT1 H ATOM 14320 OH2 TIP3 4322 57.987 59.976 42.035 1.00 0.00 WT1 O ATOM 14321 H1 TIP3 4322 58.598 59.241 42.076 1.00 0.00 WT1 H ATOM 14322 H2 TIP3 4322 57.223 59.681 42.531 1.00 0.00 WT1 H ATOM 14323 OH2 TIP3 4323 56.136 62.475 43.143 1.00 0.00 WT1 O ATOM 14324 H1 TIP3 4323 56.541 62.365 44.004 1.00 0.00 WT1 H ATOM 14325 H2 TIP3 4323 56.196 61.610 42.738 1.00 0.00 WT1 H ATOM 14326 OH2 TIP3 4325 46.473 52.078 10.020 1.00 0.00 WT1 O ATOM 14327 H1 TIP3 4325 45.991 52.900 9.937 1.00 0.00 WT1 H ATOM 14328 H2 TIP3 4325 46.792 52.077 10.923 1.00 0.00 WT1 H ATOM 14329 OH2 TIP3 4326 36.597 19.219 59.906 1.00 0.00 WT1 O ATOM 14330 H1 TIP3 4326 35.690 19.522 59.917 1.00 0.00 WT1 H ATOM 14331 H2 TIP3 4326 37.056 19.854 59.355 1.00 0.00 WT1 H ATOM 14332 OH2 TIP3 4328 41.227 46.159 11.168 1.00 0.00 WT1 O ATOM 14333 H1 TIP3 4328 41.068 47.046 11.490 1.00 0.00 WT1 H ATOM 14334 H2 TIP3 4328 42.181 46.086 11.128 1.00 0.00 WT1 H ATOM 14335 OH2 TIP3 4329 36.750 33.822 35.014 1.00 0.00 WT1 O ATOM 14336 H1 TIP3 4329 36.364 32.999 35.312 1.00 0.00 WT1 H ATOM 14337 H2 TIP3 4329 36.118 34.170 34.385 1.00 0.00 WT1 H ATOM 14338 OH2 TIP3 4330 45.106 72.666 15.996 1.00 0.00 WT1 O ATOM 14339 H1 TIP3 4330 45.001 71.806 16.403 1.00 0.00 WT1 H ATOM 14340 H2 TIP3 4330 45.471 72.480 15.131 1.00 0.00 WT1 H ATOM 14341 OH2 TIP3 4333 60.456 37.668 27.034 1.00 0.00 WT1 O ATOM 14342 H1 TIP3 4333 61.142 37.890 26.405 1.00 0.00 WT1 H ATOM 14343 H2 TIP3 4333 59.644 37.951 26.614 1.00 0.00 WT1 H ATOM 14344 OH2 TIP3 4334 36.961 91.162 33.898 1.00 0.00 WT1 O ATOM 14345 H1 TIP3 4334 36.828 90.397 34.458 1.00 0.00 WT1 H ATOM 14346 H2 TIP3 4334 37.567 91.717 34.389 1.00 0.00 WT1 H ATOM 14347 OH2 TIP3 4336 46.160 82.587 -18.577 1.00 0.00 WT1 O ATOM 14348 H1 TIP3 4336 45.799 82.971 -17.778 1.00 0.00 WT1 H ATOM 14349 H2 TIP3 4336 45.424 82.569 -19.189 1.00 0.00 WT1 H ATOM 14350 OH2 TIP3 4337 35.088 22.950 2.379 1.00 0.00 WT1 O ATOM 14351 H1 TIP3 4337 35.436 22.723 3.241 1.00 0.00 WT1 H ATOM 14352 H2 TIP3 4337 34.631 23.779 2.515 1.00 0.00 WT1 H ATOM 14353 OH2 TIP3 4340 55.399 45.391 22.460 1.00 0.00 WT1 O ATOM 14354 H1 TIP3 4340 54.510 45.608 22.741 1.00 0.00 WT1 H ATOM 14355 H2 TIP3 4340 55.446 45.696 21.554 1.00 0.00 WT1 H ATOM 14356 OH2 TIP3 4343 55.706 33.113 -19.116 1.00 0.00 WT1 O ATOM 14357 H1 TIP3 4343 55.304 32.694 -18.354 1.00 0.00 WT1 H ATOM 14358 H2 TIP3 4343 55.743 34.041 -18.887 1.00 0.00 WT1 H ATOM 14359 OH2 TIP3 4344 45.741 29.387 45.061 1.00 0.00 WT1 O ATOM 14360 H1 TIP3 4344 46.344 29.709 45.731 1.00 0.00 WT1 H ATOM 14361 H2 TIP3 4344 45.446 30.176 44.606 1.00 0.00 WT1 H ATOM 14362 OH2 TIP3 4346 62.798 10.996 30.527 1.00 0.00 WT1 O ATOM 14363 H1 TIP3 4346 62.882 11.390 29.659 1.00 0.00 WT1 H ATOM 14364 H2 TIP3 4346 61.858 11.016 30.709 1.00 0.00 WT1 H ATOM 14365 OH2 TIP3 4347 26.600 92.176 22.184 1.00 0.00 WT1 O ATOM 14366 H1 TIP3 4347 25.884 91.819 22.709 1.00 0.00 WT1 H ATOM 14367 H2 TIP3 4347 26.564 91.683 21.364 1.00 0.00 WT1 H ATOM 14368 OH2 TIP3 4350 57.401 18.716 47.833 1.00 0.00 WT1 O ATOM 14369 H1 TIP3 4350 57.018 18.212 47.115 1.00 0.00 WT1 H ATOM 14370 H2 TIP3 4350 56.894 19.527 47.854 1.00 0.00 WT1 H ATOM 14371 OH2 TIP3 4351 75.894 26.195 60.520 1.00 0.00 WT1 O ATOM 14372 H1 TIP3 4351 76.516 26.869 60.794 1.00 0.00 WT1 H ATOM 14373 H2 TIP3 4351 75.997 25.496 61.167 1.00 0.00 WT1 H ATOM 14374 OH2 TIP3 4352 47.910 81.791 12.764 1.00 0.00 WT1 O ATOM 14375 H1 TIP3 4352 47.406 81.383 13.468 1.00 0.00 WT1 H ATOM 14376 H2 TIP3 4352 47.250 82.175 12.187 1.00 0.00 WT1 H ATOM 14377 OH2 TIP3 4353 27.987 94.499 19.722 1.00 0.00 WT1 O ATOM 14378 H1 TIP3 4353 28.233 95.014 20.491 1.00 0.00 WT1 H ATOM 14379 H2 TIP3 4353 28.807 94.376 19.243 1.00 0.00 WT1 H ATOM 14380 OH2 TIP3 4355 81.715 80.329 -3.429 1.00 0.00 WT1 O ATOM 14381 H1 TIP3 4355 82.507 80.669 -3.013 1.00 0.00 WT1 H ATOM 14382 H2 TIP3 4355 81.037 80.969 -3.213 1.00 0.00 WT1 H ATOM 14383 OH2 TIP3 4356 74.896 12.220 -11.009 1.00 0.00 WT1 O ATOM 14384 H1 TIP3 4356 74.885 11.439 -10.456 1.00 0.00 WT1 H ATOM 14385 H2 TIP3 4356 74.031 12.612 -10.887 1.00 0.00 WT1 H ATOM 14386 OH2 TIP3 4357 63.645 77.973 53.733 1.00 0.00 WT1 O ATOM 14387 H1 TIP3 4357 63.807 78.817 54.155 1.00 0.00 WT1 H ATOM 14388 H2 TIP3 4357 62.708 77.820 53.855 1.00 0.00 WT1 H ATOM 14389 OH2 TIP3 4363 29.487 5.436 53.521 1.00 0.00 WT1 O ATOM 14390 H1 TIP3 4363 28.908 5.651 52.790 1.00 0.00 WT1 H ATOM 14391 H2 TIP3 4363 30.155 6.121 53.507 1.00 0.00 WT1 H ATOM 14392 OH2 TIP3 4364 41.498 52.866 -6.545 1.00 0.00 WT1 O ATOM 14393 H1 TIP3 4364 42.374 52.509 -6.686 1.00 0.00 WT1 H ATOM 14394 H2 TIP3 4364 41.124 52.319 -5.854 1.00 0.00 WT1 H ATOM 14395 OH2 TIP3 4365 28.524 88.668 44.031 1.00 0.00 WT1 O ATOM 14396 H1 TIP3 4365 29.131 87.940 44.169 1.00 0.00 WT1 H ATOM 14397 H2 TIP3 4365 27.658 88.262 44.040 1.00 0.00 WT1 H ATOM 14398 OH2 TIP3 4366 26.446 79.185 51.989 1.00 0.00 WT1 O ATOM 14399 H1 TIP3 4366 25.890 79.931 51.765 1.00 0.00 WT1 H ATOM 14400 H2 TIP3 4366 26.340 78.577 51.257 1.00 0.00 WT1 H ATOM 14401 OH2 TIP3 4372 88.220 54.770 50.794 1.00 0.00 WT1 O ATOM 14402 H1 TIP3 4372 88.449 54.333 49.973 1.00 0.00 WT1 H ATOM 14403 H2 TIP3 4372 89.034 55.183 51.081 1.00 0.00 WT1 H ATOM 14404 OH2 TIP3 4373 84.591 84.240 51.656 1.00 0.00 WT1 O ATOM 14405 H1 TIP3 4373 84.929 85.039 52.060 1.00 0.00 WT1 H ATOM 14406 H2 TIP3 4373 83.936 84.547 51.029 1.00 0.00 WT1 H ATOM 14407 OH2 TIP3 4374 86.330 5.267 59.949 1.00 0.00 WT1 O ATOM 14408 H1 TIP3 4374 87.157 5.103 60.402 1.00 0.00 WT1 H ATOM 14409 H2 TIP3 4374 85.933 4.401 59.852 1.00 0.00 WT1 H ATOM 14410 OH2 TIP3 4375 38.696 66.220 17.933 1.00 0.00 WT1 O ATOM 14411 H1 TIP3 4375 39.645 66.102 17.982 1.00 0.00 WT1 H ATOM 14412 H2 TIP3 4375 38.343 65.330 17.922 1.00 0.00 WT1 H ATOM 14413 OH2 TIP3 4376 79.574 69.199 -11.030 1.00 0.00 WT1 O ATOM 14414 H1 TIP3 4376 79.358 70.100 -11.269 1.00 0.00 WT1 H ATOM 14415 H2 TIP3 4376 79.192 69.083 -10.160 1.00 0.00 WT1 H ATOM 14416 OH2 TIP3 4377 39.677 86.578 51.484 1.00 0.00 WT1 O ATOM 14417 H1 TIP3 4377 38.753 86.828 51.502 1.00 0.00 WT1 H ATOM 14418 H2 TIP3 4377 40.069 87.155 50.829 1.00 0.00 WT1 H ATOM 14419 OH2 TIP3 4378 29.436 87.356 39.036 1.00 0.00 WT1 O ATOM 14420 H1 TIP3 4378 29.608 87.095 39.941 1.00 0.00 WT1 H ATOM 14421 H2 TIP3 4378 28.954 86.618 38.662 1.00 0.00 WT1 H ATOM 14422 OH2 TIP3 4379 33.180 37.411 60.830 1.00 0.00 WT1 O ATOM 14423 H1 TIP3 4379 33.887 36.783 60.981 1.00 0.00 WT1 H ATOM 14424 H2 TIP3 4379 32.381 36.929 61.040 1.00 0.00 WT1 H ATOM 14425 OH2 TIP3 4380 57.133 4.289 7.945 1.00 0.00 WT1 O ATOM 14426 H1 TIP3 4380 56.184 4.259 8.064 1.00 0.00 WT1 H ATOM 14427 H2 TIP3 4380 57.280 3.894 7.085 1.00 0.00 WT1 H ATOM 14428 OH2 TIP3 4381 59.106 73.657 33.432 1.00 0.00 WT1 O ATOM 14429 H1 TIP3 4381 58.909 73.454 32.518 1.00 0.00 WT1 H ATOM 14430 H2 TIP3 4381 58.377 73.279 33.925 1.00 0.00 WT1 H ATOM 14431 OH2 TIP3 4382 24.261 59.611 30.582 1.00 0.00 WT1 O ATOM 14432 H1 TIP3 4382 25.102 59.787 31.003 1.00 0.00 WT1 H ATOM 14433 H2 TIP3 4382 24.491 59.298 29.707 1.00 0.00 WT1 H ATOM 14434 OH2 TIP3 4383 80.903 54.311 -15.335 1.00 0.00 WT1 O ATOM 14435 H1 TIP3 4383 81.832 54.178 -15.148 1.00 0.00 WT1 H ATOM 14436 H2 TIP3 4383 80.537 54.640 -14.514 1.00 0.00 WT1 H ATOM 14437 OH2 TIP3 4384 41.295 52.470 45.003 1.00 0.00 WT1 O ATOM 14438 H1 TIP3 4384 41.253 52.053 44.142 1.00 0.00 WT1 H ATOM 14439 H2 TIP3 4384 42.209 52.736 45.096 1.00 0.00 WT1 H ATOM 14440 OH2 TIP3 4386 84.799 90.728 -14.835 1.00 0.00 WT1 O ATOM 14441 H1 TIP3 4386 84.729 89.915 -15.336 1.00 0.00 WT1 H ATOM 14442 H2 TIP3 4386 84.408 91.393 -15.402 1.00 0.00 WT1 H ATOM 14443 OH2 TIP3 4387 39.981 76.135 -20.196 1.00 0.00 WT1 O ATOM 14444 H1 TIP3 4387 39.368 76.122 -19.462 1.00 0.00 WT1 H ATOM 14445 H2 TIP3 4387 40.839 75.997 -19.795 1.00 0.00 WT1 H ATOM 14446 OH2 TIP3 4388 35.561 79.798 -18.918 1.00 0.00 WT1 O ATOM 14447 H1 TIP3 4388 34.637 79.777 -18.668 1.00 0.00 WT1 H ATOM 14448 H2 TIP3 4388 35.561 80.163 -19.803 1.00 0.00 WT1 H ATOM 14449 OH2 TIP3 4389 89.764 20.378 46.441 1.00 0.00 WT1 O ATOM 14450 H1 TIP3 4389 90.628 20.684 46.166 1.00 0.00 WT1 H ATOM 14451 H2 TIP3 4389 89.904 20.024 47.320 1.00 0.00 WT1 H ATOM 14452 OH2 TIP3 4390 72.283 29.863 -17.513 1.00 0.00 WT1 O ATOM 14453 H1 TIP3 4390 72.836 29.157 -17.846 1.00 0.00 WT1 H ATOM 14454 H2 TIP3 4390 72.877 30.413 -17.002 1.00 0.00 WT1 H ATOM 14455 OH2 TIP3 4391 58.573 23.520 43.177 1.00 0.00 WT1 O ATOM 14456 H1 TIP3 4391 58.401 24.273 43.741 1.00 0.00 WT1 H ATOM 14457 H2 TIP3 4391 58.034 23.672 42.401 1.00 0.00 WT1 H ATOM 14458 OH2 TIP3 4392 63.803 78.513 58.993 1.00 0.00 WT1 O ATOM 14459 H1 TIP3 4392 64.165 79.358 59.260 1.00 0.00 WT1 H ATOM 14460 H2 TIP3 4392 62.872 78.686 58.847 1.00 0.00 WT1 H ATOM 14461 OH2 TIP3 4394 26.690 39.363 -2.515 1.00 0.00 WT1 O ATOM 14462 H1 TIP3 4394 26.392 40.143 -2.982 1.00 0.00 WT1 H ATOM 14463 H2 TIP3 4394 26.713 39.627 -1.595 1.00 0.00 WT1 H ATOM 14464 OH2 TIP3 4395 71.053 51.215 22.254 1.00 0.00 WT1 O ATOM 14465 H1 TIP3 4395 70.605 51.839 21.683 1.00 0.00 WT1 H ATOM 14466 H2 TIP3 4395 71.983 51.338 22.062 1.00 0.00 WT1 H ATOM 14467 OH2 TIP3 4396 26.301 48.505 -6.233 1.00 0.00 WT1 O ATOM 14468 H1 TIP3 4396 25.702 49.206 -6.490 1.00 0.00 WT1 H ATOM 14469 H2 TIP3 4396 27.064 48.621 -6.800 1.00 0.00 WT1 H ATOM 14470 OH2 TIP3 4397 47.814 94.966 -4.459 1.00 0.00 WT1 O ATOM 14471 H1 TIP3 4397 47.543 94.357 -5.146 1.00 0.00 WT1 H ATOM 14472 H2 TIP3 4397 47.834 94.436 -3.663 1.00 0.00 WT1 H ATOM 14473 OH2 TIP3 4398 42.348 49.257 -3.765 1.00 0.00 WT1 O ATOM 14474 H1 TIP3 4398 42.158 48.414 -3.352 1.00 0.00 WT1 H ATOM 14475 H2 TIP3 4398 42.609 49.825 -3.040 1.00 0.00 WT1 H ATOM 14476 OH2 TIP3 4401 43.541 55.667 43.247 1.00 0.00 WT1 O ATOM 14477 H1 TIP3 4401 44.372 55.894 42.830 1.00 0.00 WT1 H ATOM 14478 H2 TIP3 4401 42.882 56.152 42.749 1.00 0.00 WT1 H ATOM 14479 OH2 TIP3 4402 35.015 6.480 54.854 1.00 0.00 WT1 O ATOM 14480 H1 TIP3 4402 35.506 6.669 55.653 1.00 0.00 WT1 H ATOM 14481 H2 TIP3 4402 35.174 7.236 54.289 1.00 0.00 WT1 H ATOM 14482 OH2 TIP3 4403 61.498 18.495 52.625 1.00 0.00 WT1 O ATOM 14483 H1 TIP3 4403 61.004 18.813 51.870 1.00 0.00 WT1 H ATOM 14484 H2 TIP3 4403 62.245 18.032 52.246 1.00 0.00 WT1 H ATOM 14485 OH2 TIP3 4404 62.951 77.381 16.210 1.00 0.00 WT1 O ATOM 14486 H1 TIP3 4404 63.759 77.162 16.675 1.00 0.00 WT1 H ATOM 14487 H2 TIP3 4404 62.741 76.592 15.710 1.00 0.00 WT1 H ATOM 14488 OH2 TIP3 4405 24.096 93.320 -15.142 1.00 0.00 WT1 O ATOM 14489 H1 TIP3 4405 24.832 93.746 -14.701 1.00 0.00 WT1 H ATOM 14490 H2 TIP3 4405 24.505 92.700 -15.745 1.00 0.00 WT1 H ATOM 14491 OH2 TIP3 4407 44.541 95.197 -5.540 1.00 0.00 WT1 O ATOM 14492 H1 TIP3 4407 45.385 94.762 -5.420 1.00 0.00 WT1 H ATOM 14493 H2 TIP3 4407 43.911 94.480 -5.624 1.00 0.00 WT1 H ATOM 14494 OH2 TIP3 4409 50.373 15.191 13.335 1.00 0.00 WT1 O ATOM 14495 H1 TIP3 4409 51.273 14.929 13.140 1.00 0.00 WT1 H ATOM 14496 H2 TIP3 4409 50.427 16.133 13.495 1.00 0.00 WT1 H ATOM 14497 OH2 TIP3 4411 54.425 72.978 63.861 1.00 0.00 WT1 O ATOM 14498 H1 TIP3 4411 54.017 73.785 64.173 1.00 0.00 WT1 H ATOM 14499 H2 TIP3 4411 54.133 72.306 64.477 1.00 0.00 WT1 H ATOM 14500 OH2 TIP3 4412 26.667 27.998 21.215 1.00 0.00 WT1 O ATOM 14501 H1 TIP3 4412 25.717 28.048 21.111 1.00 0.00 WT1 H ATOM 14502 H2 TIP3 4412 26.908 28.829 21.624 1.00 0.00 WT1 H ATOM 14503 OH2 TIP3 4414 83.110 92.941 9.506 1.00 0.00 WT1 O ATOM 14504 H1 TIP3 4414 82.896 93.701 8.965 1.00 0.00 WT1 H ATOM 14505 H2 TIP3 4414 82.400 92.322 9.342 1.00 0.00 WT1 H ATOM 14506 OH2 TIP3 4415 21.571 96.269 18.562 1.00 0.00 WT1 O ATOM 14507 H1 TIP3 4415 21.064 96.511 19.337 1.00 0.00 WT1 H ATOM 14508 H2 TIP3 4415 20.916 96.157 17.873 1.00 0.00 WT1 H ATOM 14509 OH2 TIP3 4416 43.219 73.435 -2.055 1.00 0.00 WT1 O ATOM 14510 H1 TIP3 4416 42.574 73.726 -1.412 1.00 0.00 WT1 H ATOM 14511 H2 TIP3 4416 43.086 72.489 -2.118 1.00 0.00 WT1 H ATOM 14512 OH2 TIP3 4417 33.740 81.290 27.822 1.00 0.00 WT1 O ATOM 14513 H1 TIP3 4417 33.379 80.590 27.278 1.00 0.00 WT1 H ATOM 14514 H2 TIP3 4417 34.677 81.287 27.626 1.00 0.00 WT1 H ATOM 14515 OH2 TIP3 4419 52.819 27.972 57.972 1.00 0.00 WT1 O ATOM 14516 H1 TIP3 4419 52.706 28.921 57.935 1.00 0.00 WT1 H ATOM 14517 H2 TIP3 4419 53.082 27.727 57.084 1.00 0.00 WT1 H ATOM 14518 OH2 TIP3 4421 87.647 33.635 -10.833 1.00 0.00 WT1 O ATOM 14519 H1 TIP3 4421 87.355 33.030 -10.150 1.00 0.00 WT1 H ATOM 14520 H2 TIP3 4421 88.554 33.381 -11.006 1.00 0.00 WT1 H ATOM 14521 OH2 TIP3 4422 86.735 10.672 2.182 1.00 0.00 WT1 O ATOM 14522 H1 TIP3 4422 87.658 10.723 1.933 1.00 0.00 WT1 H ATOM 14523 H2 TIP3 4422 86.437 11.582 2.186 1.00 0.00 WT1 H ATOM 14524 OH2 TIP3 4425 40.747 87.316 6.763 1.00 0.00 WT1 O ATOM 14525 H1 TIP3 4425 40.483 88.008 7.369 1.00 0.00 WT1 H ATOM 14526 H2 TIP3 4425 39.926 87.009 6.378 1.00 0.00 WT1 H ATOM 14527 OH2 TIP3 4427 29.068 87.780 -15.449 1.00 0.00 WT1 O ATOM 14528 H1 TIP3 4427 29.498 88.162 -16.214 1.00 0.00 WT1 H ATOM 14529 H2 TIP3 4427 28.134 87.814 -15.657 1.00 0.00 WT1 H ATOM 14530 OH2 TIP3 4428 23.459 85.640 30.939 1.00 0.00 WT1 O ATOM 14531 H1 TIP3 4428 23.281 85.647 31.879 1.00 0.00 WT1 H ATOM 14532 H2 TIP3 4428 23.828 84.773 30.771 1.00 0.00 WT1 H ATOM 14533 OH2 TIP3 4429 26.869 91.298 5.051 1.00 0.00 WT1 O ATOM 14534 H1 TIP3 4429 27.380 90.492 5.128 1.00 0.00 WT1 H ATOM 14535 H2 TIP3 4429 26.565 91.475 5.941 1.00 0.00 WT1 H ATOM 14536 OH2 TIP3 4432 33.341 25.996 36.147 1.00 0.00 WT1 O ATOM 14537 H1 TIP3 4432 32.448 25.887 36.473 1.00 0.00 WT1 H ATOM 14538 H2 TIP3 4432 33.871 25.426 36.704 1.00 0.00 WT1 H ATOM 14539 OH2 TIP3 4433 24.766 0.321 -20.076 1.00 0.00 WT1 O ATOM 14540 H1 TIP3 4433 25.505 0.926 -20.139 1.00 0.00 WT1 H ATOM 14541 H2 TIP3 4433 24.534 0.322 -19.147 1.00 0.00 WT1 H ATOM 14542 OH2 TIP3 4434 28.212 33.803 -11.756 1.00 0.00 WT1 O ATOM 14543 H1 TIP3 4434 28.930 33.681 -12.376 1.00 0.00 WT1 H ATOM 14544 H2 TIP3 4434 28.401 34.639 -11.330 1.00 0.00 WT1 H ATOM 14545 OH2 TIP3 4435 87.338 72.904 55.196 1.00 0.00 WT1 O ATOM 14546 H1 TIP3 4435 88.020 72.554 54.622 1.00 0.00 WT1 H ATOM 14547 H2 TIP3 4435 87.256 73.822 54.939 1.00 0.00 WT1 H ATOM 14548 OH2 TIP3 4436 67.453 19.665 42.245 1.00 0.00 WT1 O ATOM 14549 H1 TIP3 4436 68.090 19.612 41.533 1.00 0.00 WT1 H ATOM 14550 H2 TIP3 4436 67.259 18.753 42.462 1.00 0.00 WT1 H ATOM 14551 OH2 TIP3 4437 79.019 12.503 63.460 1.00 0.00 WT1 O ATOM 14552 H1 TIP3 4437 79.692 11.848 63.645 1.00 0.00 WT1 H ATOM 14553 H2 TIP3 4437 78.310 12.010 63.047 1.00 0.00 WT1 H ATOM 14554 OH2 TIP3 4438 56.695 88.096 41.201 1.00 0.00 WT1 O ATOM 14555 H1 TIP3 4438 56.178 88.209 41.999 1.00 0.00 WT1 H ATOM 14556 H2 TIP3 4438 57.133 87.252 41.316 1.00 0.00 WT1 H ATOM 14557 OH2 TIP3 4441 42.112 36.638 14.181 1.00 0.00 WT1 O ATOM 14558 H1 TIP3 4441 43.006 36.963 14.077 1.00 0.00 WT1 H ATOM 14559 H2 TIP3 4441 42.062 36.362 15.097 1.00 0.00 WT1 H ATOM 14560 OH2 TIP3 4442 41.406 74.367 4.493 1.00 0.00 WT1 O ATOM 14561 H1 TIP3 4442 42.167 73.809 4.652 1.00 0.00 WT1 H ATOM 14562 H2 TIP3 4442 41.217 74.764 5.343 1.00 0.00 WT1 H ATOM 14563 OH2 TIP3 4443 87.874 30.656 38.493 1.00 0.00 WT1 O ATOM 14564 H1 TIP3 4443 88.246 29.965 37.945 1.00 0.00 WT1 H ATOM 14565 H2 TIP3 4443 88.180 30.452 39.377 1.00 0.00 WT1 H ATOM 14566 OH2 TIP3 4444 56.438 68.834 5.523 1.00 0.00 WT1 O ATOM 14567 H1 TIP3 4444 56.822 69.656 5.827 1.00 0.00 WT1 H ATOM 14568 H2 TIP3 4444 55.870 68.554 6.241 1.00 0.00 WT1 H ATOM 14569 OH2 TIP3 4446 28.401 12.936 36.868 1.00 0.00 WT1 O ATOM 14570 H1 TIP3 4446 28.010 13.103 36.011 1.00 0.00 WT1 H ATOM 14571 H2 TIP3 4446 29.337 13.092 36.739 1.00 0.00 WT1 H ATOM 14572 OH2 TIP3 4449 63.845 3.613 36.959 1.00 0.00 WT1 O ATOM 14573 H1 TIP3 4449 64.727 3.391 37.257 1.00 0.00 WT1 H ATOM 14574 H2 TIP3 4449 63.705 3.060 36.190 1.00 0.00 WT1 H ATOM 14575 OH2 TIP3 4450 53.681 62.448 15.313 1.00 0.00 WT1 O ATOM 14576 H1 TIP3 4450 53.513 61.782 15.980 1.00 0.00 WT1 H ATOM 14577 H2 TIP3 4450 54.635 62.481 15.243 1.00 0.00 WT1 H ATOM 14578 OH2 TIP3 4451 82.723 12.400 41.945 1.00 0.00 WT1 O ATOM 14579 H1 TIP3 4451 83.424 11.751 41.884 1.00 0.00 WT1 H ATOM 14580 H2 TIP3 4451 83.000 13.108 41.363 1.00 0.00 WT1 H ATOM 14581 OH2 TIP3 4452 56.966 68.882 53.500 1.00 0.00 WT1 O ATOM 14582 H1 TIP3 4452 57.360 68.192 52.966 1.00 0.00 WT1 H ATOM 14583 H2 TIP3 4452 56.927 69.642 52.920 1.00 0.00 WT1 H ATOM 14584 OH2 TIP3 4453 75.429 21.712 7.623 1.00 0.00 WT1 O ATOM 14585 H1 TIP3 4453 75.113 21.340 6.799 1.00 0.00 WT1 H ATOM 14586 H2 TIP3 4453 75.894 20.992 8.048 1.00 0.00 WT1 H ATOM 14587 OH2 TIP3 4454 73.373 43.963 -18.739 1.00 0.00 WT1 O ATOM 14588 H1 TIP3 4454 74.049 44.463 -19.196 1.00 0.00 WT1 H ATOM 14589 H2 TIP3 4454 73.775 43.110 -18.575 1.00 0.00 WT1 H ATOM 14590 OH2 TIP3 4455 28.539 70.598 65.294 1.00 0.00 WT1 O ATOM 14591 H1 TIP3 4455 28.763 69.708 65.024 1.00 0.00 WT1 H ATOM 14592 H2 TIP3 4455 27.732 70.500 65.799 1.00 0.00 WT1 H ATOM 14593 OH2 TIP3 4456 60.001 79.559 -10.240 1.00 0.00 WT1 O ATOM 14594 H1 TIP3 4456 59.987 78.611 -10.371 1.00 0.00 WT1 H ATOM 14595 H2 TIP3 4456 60.740 79.709 -9.651 1.00 0.00 WT1 H ATOM 14596 OH2 TIP3 4457 42.234 3.114 23.576 1.00 0.00 WT1 O ATOM 14597 H1 TIP3 4457 41.314 3.364 23.658 1.00 0.00 WT1 H ATOM 14598 H2 TIP3 4457 42.261 2.551 22.802 1.00 0.00 WT1 H ATOM 14599 OH2 TIP3 4459 82.085 61.067 31.645 1.00 0.00 WT1 O ATOM 14600 H1 TIP3 4459 82.348 61.925 31.312 1.00 0.00 WT1 H ATOM 14601 H2 TIP3 4459 82.029 61.185 32.594 1.00 0.00 WT1 H ATOM 14602 OH2 TIP3 4460 47.849 24.904 5.707 1.00 0.00 WT1 O ATOM 14603 H1 TIP3 4460 48.566 24.750 6.322 1.00 0.00 WT1 H ATOM 14604 H2 TIP3 4460 47.167 24.288 5.974 1.00 0.00 WT1 H ATOM 14605 OH2 TIP3 4461 36.893 71.285 0.348 1.00 0.00 WT1 O ATOM 14606 H1 TIP3 4461 37.287 70.849 1.103 1.00 0.00 WT1 H ATOM 14607 H2 TIP3 4461 36.518 72.090 0.704 1.00 0.00 WT1 H ATOM 14608 OH2 TIP3 4462 40.150 85.479 23.866 1.00 0.00 WT1 O ATOM 14609 H1 TIP3 4462 41.087 85.340 24.005 1.00 0.00 WT1 H ATOM 14610 H2 TIP3 4462 39.812 85.719 24.728 1.00 0.00 WT1 H ATOM 14611 OH2 TIP3 4463 32.435 2.588 -1.713 1.00 0.00 WT1 O ATOM 14612 H1 TIP3 4463 32.663 3.316 -1.136 1.00 0.00 WT1 H ATOM 14613 H2 TIP3 4463 32.114 3.007 -2.512 1.00 0.00 WT1 H ATOM 14614 OH2 TIP3 4464 40.396 33.451 40.511 1.00 0.00 WT1 O ATOM 14615 H1 TIP3 4464 40.931 34.226 40.340 1.00 0.00 WT1 H ATOM 14616 H2 TIP3 4464 39.528 33.681 40.181 1.00 0.00 WT1 H ATOM 14617 OH2 TIP3 4465 60.997 16.628 56.105 1.00 0.00 WT1 O ATOM 14618 H1 TIP3 4465 60.576 17.480 55.995 1.00 0.00 WT1 H ATOM 14619 H2 TIP3 4465 60.375 16.118 56.625 1.00 0.00 WT1 H ATOM 14620 OH2 TIP3 4466 22.319 25.992 15.511 1.00 0.00 WT1 O ATOM 14621 H1 TIP3 4466 21.816 26.274 16.275 1.00 0.00 WT1 H ATOM 14622 H2 TIP3 4466 21.713 25.441 15.015 1.00 0.00 WT1 H ATOM 14623 OH2 TIP3 4467 63.588 80.520 28.864 1.00 0.00 WT1 O ATOM 14624 H1 TIP3 4467 63.445 81.094 29.617 1.00 0.00 WT1 H ATOM 14625 H2 TIP3 4467 64.310 79.951 29.129 1.00 0.00 WT1 H ATOM 14626 OH2 TIP3 4468 51.250 10.824 -16.147 1.00 0.00 WT1 O ATOM 14627 H1 TIP3 4468 50.978 10.440 -16.981 1.00 0.00 WT1 H ATOM 14628 H2 TIP3 4468 51.114 10.127 -15.506 1.00 0.00 WT1 H ATOM 14629 OH2 TIP3 4469 44.635 42.925 -15.123 1.00 0.00 WT1 O ATOM 14630 H1 TIP3 4469 44.636 42.434 -14.301 1.00 0.00 WT1 H ATOM 14631 H2 TIP3 4469 43.848 43.468 -15.077 1.00 0.00 WT1 H ATOM 14632 OH2 TIP3 4470 41.894 23.922 -6.717 1.00 0.00 WT1 O ATOM 14633 H1 TIP3 4470 42.608 23.476 -7.173 1.00 0.00 WT1 H ATOM 14634 H2 TIP3 4470 41.749 24.721 -7.224 1.00 0.00 WT1 H ATOM 14635 OH2 TIP3 4472 51.069 93.731 36.344 1.00 0.00 WT1 O ATOM 14636 H1 TIP3 4472 50.501 93.631 35.581 1.00 0.00 WT1 H ATOM 14637 H2 TIP3 4472 51.846 94.177 36.008 1.00 0.00 WT1 H ATOM 14638 OH2 TIP3 4473 61.935 4.839 8.948 1.00 0.00 WT1 O ATOM 14639 H1 TIP3 4473 61.191 4.698 9.532 1.00 0.00 WT1 H ATOM 14640 H2 TIP3 4473 62.389 3.996 8.929 1.00 0.00 WT1 H ATOM 14641 OH2 TIP3 4474 74.837 94.821 12.157 1.00 0.00 WT1 O ATOM 14642 H1 TIP3 4474 74.677 94.776 11.215 1.00 0.00 WT1 H ATOM 14643 H2 TIP3 4474 75.750 94.552 12.259 1.00 0.00 WT1 H ATOM 14644 OH2 TIP3 4475 36.039 80.240 24.303 1.00 0.00 WT1 O ATOM 14645 H1 TIP3 4475 36.498 80.661 23.576 1.00 0.00 WT1 H ATOM 14646 H2 TIP3 4475 35.349 79.725 23.886 1.00 0.00 WT1 H ATOM 14647 OH2 TIP3 4476 44.060 79.990 37.137 1.00 0.00 WT1 O ATOM 14648 H1 TIP3 4476 44.946 80.353 37.133 1.00 0.00 WT1 H ATOM 14649 H2 TIP3 4476 43.914 79.705 36.235 1.00 0.00 WT1 H ATOM 14650 OH2 TIP3 4477 54.187 82.760 -12.724 1.00 0.00 WT1 O ATOM 14651 H1 TIP3 4477 53.604 83.029 -12.014 1.00 0.00 WT1 H ATOM 14652 H2 TIP3 4477 53.722 82.045 -13.159 1.00 0.00 WT1 H ATOM 14653 OH2 TIP3 4478 69.728 18.960 1.208 1.00 0.00 WT1 O ATOM 14654 H1 TIP3 4478 69.489 19.730 0.692 1.00 0.00 WT1 H ATOM 14655 H2 TIP3 4478 69.390 19.146 2.085 1.00 0.00 WT1 H ATOM 14656 OH2 TIP3 4479 49.298 21.273 58.425 1.00 0.00 WT1 O ATOM 14657 H1 TIP3 4479 50.180 20.972 58.207 1.00 0.00 WT1 H ATOM 14658 H2 TIP3 4479 49.326 21.437 59.368 1.00 0.00 WT1 H ATOM 14659 OH2 TIP3 4480 80.365 8.352 -6.661 1.00 0.00 WT1 O ATOM 14660 H1 TIP3 4480 79.742 8.862 -6.143 1.00 0.00 WT1 H ATOM 14661 H2 TIP3 4480 81.124 8.927 -6.758 1.00 0.00 WT1 H ATOM 14662 OH2 TIP3 4481 41.518 82.814 63.486 1.00 0.00 WT1 O ATOM 14663 H1 TIP3 4481 41.866 83.699 63.372 1.00 0.00 WT1 H ATOM 14664 H2 TIP3 4481 40.878 82.716 62.781 1.00 0.00 WT1 H ATOM 14665 OH2 TIP3 4482 81.150 92.277 31.672 1.00 0.00 WT1 O ATOM 14666 H1 TIP3 4482 80.895 92.883 32.368 1.00 0.00 WT1 H ATOM 14667 H2 TIP3 4482 81.318 92.838 30.915 1.00 0.00 WT1 H ATOM 14668 OH2 TIP3 4483 39.042 35.434 2.620 1.00 0.00 WT1 O ATOM 14669 H1 TIP3 4483 39.056 35.689 3.542 1.00 0.00 WT1 H ATOM 14670 H2 TIP3 4483 38.267 35.868 2.263 1.00 0.00 WT1 H ATOM 14671 OH2 TIP3 4485 69.532 42.801 60.746 1.00 0.00 WT1 O ATOM 14672 H1 TIP3 4485 68.711 42.593 60.301 1.00 0.00 WT1 H ATOM 14673 H2 TIP3 4485 69.800 43.642 60.375 1.00 0.00 WT1 H ATOM 14674 OH2 TIP3 4487 34.559 16.357 15.249 1.00 0.00 WT1 O ATOM 14675 H1 TIP3 4487 34.069 15.724 15.774 1.00 0.00 WT1 H ATOM 14676 H2 TIP3 4487 34.914 16.975 15.888 1.00 0.00 WT1 H ATOM 14677 OH2 TIP3 4489 21.940 93.569 46.300 1.00 0.00 WT1 O ATOM 14678 H1 TIP3 4489 22.678 92.978 46.447 1.00 0.00 WT1 H ATOM 14679 H2 TIP3 4489 22.345 94.421 46.137 1.00 0.00 WT1 H ATOM 14680 OH2 TIP3 4491 81.948 23.410 35.379 1.00 0.00 WT1 O ATOM 14681 H1 TIP3 4491 81.577 22.534 35.268 1.00 0.00 WT1 H ATOM 14682 H2 TIP3 4491 82.357 23.390 36.244 1.00 0.00 WT1 H ATOM 14683 OH2 TIP3 4492 58.813 24.498 39.683 1.00 0.00 WT1 O ATOM 14684 H1 TIP3 4492 58.778 25.103 38.942 1.00 0.00 WT1 H ATOM 14685 H2 TIP3 4492 59.518 23.889 39.463 1.00 0.00 WT1 H ATOM 14686 OH2 TIP3 4493 37.950 26.706 -7.870 1.00 0.00 WT1 O ATOM 14687 H1 TIP3 4493 37.232 27.254 -8.187 1.00 0.00 WT1 H ATOM 14688 H2 TIP3 4493 37.785 26.613 -6.932 1.00 0.00 WT1 H ATOM 14689 OH2 TIP3 4495 84.063 30.922 61.149 1.00 0.00 WT1 O ATOM 14690 H1 TIP3 4495 83.840 30.488 60.326 1.00 0.00 WT1 H ATOM 14691 H2 TIP3 4495 84.081 31.854 60.933 1.00 0.00 WT1 H ATOM 14692 OH2 TIP3 4496 37.771 96.000 33.096 1.00 0.00 WT1 O ATOM 14693 H1 TIP3 4496 38.075 95.406 32.410 1.00 0.00 WT1 H ATOM 14694 H2 TIP3 4496 37.989 96.873 32.771 1.00 0.00 WT1 H ATOM 14695 OH2 TIP3 4497 54.668 34.362 -2.684 1.00 0.00 WT1 O ATOM 14696 H1 TIP3 4497 54.702 35.150 -2.141 1.00 0.00 WT1 H ATOM 14697 H2 TIP3 4497 54.943 33.656 -2.100 1.00 0.00 WT1 H ATOM 14698 OH2 TIP3 4499 31.284 34.368 28.846 1.00 0.00 WT1 O ATOM 14699 H1 TIP3 4499 30.344 34.548 28.861 1.00 0.00 WT1 H ATOM 14700 H2 TIP3 4499 31.556 34.584 27.954 1.00 0.00 WT1 H ATOM 14701 OH2 TIP3 4500 36.449 86.641 41.049 1.00 0.00 WT1 O ATOM 14702 H1 TIP3 4500 36.237 87.574 41.099 1.00 0.00 WT1 H ATOM 14703 H2 TIP3 4500 36.404 86.435 40.116 1.00 0.00 WT1 H ATOM 14704 OH2 TIP3 4501 29.510 31.219 45.111 1.00 0.00 WT1 O ATOM 14705 H1 TIP3 4501 29.677 31.558 45.991 1.00 0.00 WT1 H ATOM 14706 H2 TIP3 4501 29.801 31.918 44.526 1.00 0.00 WT1 H ATOM 14707 OH2 TIP3 4502 38.052 51.766 -11.449 1.00 0.00 WT1 O ATOM 14708 H1 TIP3 4502 38.590 51.357 -10.771 1.00 0.00 WT1 H ATOM 14709 H2 TIP3 4502 37.511 51.053 -11.789 1.00 0.00 WT1 H ATOM 14710 OH2 TIP3 4504 76.278 88.655 50.722 1.00 0.00 WT1 O ATOM 14711 H1 TIP3 4504 77.047 88.125 50.514 1.00 0.00 WT1 H ATOM 14712 H2 TIP3 4504 76.064 89.099 49.901 1.00 0.00 WT1 H ATOM 14713 OH2 TIP3 4505 73.918 57.939 17.805 1.00 0.00 WT1 O ATOM 14714 H1 TIP3 4505 74.679 57.491 18.176 1.00 0.00 WT1 H ATOM 14715 H2 TIP3 4505 73.315 57.233 17.571 1.00 0.00 WT1 H ATOM 14716 OH2 TIP3 4506 47.589 10.466 26.415 1.00 0.00 WT1 O ATOM 14717 H1 TIP3 4506 47.450 11.257 26.936 1.00 0.00 WT1 H ATOM 14718 H2 TIP3 4506 48.040 10.773 25.629 1.00 0.00 WT1 H ATOM 14719 OH2 TIP3 4507 34.991 74.091 -2.173 1.00 0.00 WT1 O ATOM 14720 H1 TIP3 4507 35.729 74.546 -1.766 1.00 0.00 WT1 H ATOM 14721 H2 TIP3 4507 34.927 74.475 -3.048 1.00 0.00 WT1 H ATOM 14722 OH2 TIP3 4508 52.302 52.769 -17.622 1.00 0.00 WT1 O ATOM 14723 H1 TIP3 4508 53.091 53.177 -17.266 1.00 0.00 WT1 H ATOM 14724 H2 TIP3 4508 52.561 51.867 -17.809 1.00 0.00 WT1 H ATOM 14725 OH2 TIP3 4509 28.121 4.881 3.132 1.00 0.00 WT1 O ATOM 14726 H1 TIP3 4509 27.402 4.261 3.015 1.00 0.00 WT1 H ATOM 14727 H2 TIP3 4509 28.306 5.204 2.250 1.00 0.00 WT1 H ATOM 14728 OH2 TIP3 4510 50.128 40.716 37.229 1.00 0.00 WT1 O ATOM 14729 H1 TIP3 4510 50.589 41.385 36.722 1.00 0.00 WT1 H ATOM 14730 H2 TIP3 4510 49.219 40.776 36.935 1.00 0.00 WT1 H ATOM 14731 OH2 TIP3 4511 55.518 7.227 42.836 1.00 0.00 WT1 O ATOM 14732 H1 TIP3 4511 55.570 7.618 43.708 1.00 0.00 WT1 H ATOM 14733 H2 TIP3 4511 54.916 7.794 42.354 1.00 0.00 WT1 H ATOM 14734 OH2 TIP3 4513 72.994 23.361 -9.531 1.00 0.00 WT1 O ATOM 14735 H1 TIP3 4513 73.212 22.510 -9.152 1.00 0.00 WT1 H ATOM 14736 H2 TIP3 4513 72.787 23.170 -10.446 1.00 0.00 WT1 H ATOM 14737 OH2 TIP3 4514 44.313 87.410 37.117 1.00 0.00 WT1 O ATOM 14738 H1 TIP3 4514 43.799 87.277 37.914 1.00 0.00 WT1 H ATOM 14739 H2 TIP3 4514 44.782 86.585 36.993 1.00 0.00 WT1 H ATOM 14740 OH2 TIP3 4515 61.071 5.988 16.526 1.00 0.00 WT1 O ATOM 14741 H1 TIP3 4515 61.505 5.144 16.406 1.00 0.00 WT1 H ATOM 14742 H2 TIP3 4515 60.242 5.901 16.057 1.00 0.00 WT1 H ATOM 14743 OH2 TIP3 4516 66.786 70.834 19.366 1.00 0.00 WT1 O ATOM 14744 H1 TIP3 4516 67.084 71.442 18.689 1.00 0.00 WT1 H ATOM 14745 H2 TIP3 4516 67.040 69.970 19.041 1.00 0.00 WT1 H ATOM 14746 OH2 TIP3 4517 51.817 89.174 64.996 1.00 0.00 WT1 O ATOM 14747 H1 TIP3 4517 52.713 88.981 65.270 1.00 0.00 WT1 H ATOM 14748 H2 TIP3 4517 51.499 88.354 64.619 1.00 0.00 WT1 H ATOM 14749 OH2 TIP3 4518 35.416 21.279 -3.038 1.00 0.00 WT1 O ATOM 14750 H1 TIP3 4518 36.009 21.822 -3.556 1.00 0.00 WT1 H ATOM 14751 H2 TIP3 4518 35.968 20.574 -2.701 1.00 0.00 WT1 H ATOM 14752 OH2 TIP3 4519 78.392 29.834 7.850 1.00 0.00 WT1 O ATOM 14753 H1 TIP3 4519 79.220 29.355 7.905 1.00 0.00 WT1 H ATOM 14754 H2 TIP3 4519 77.742 29.230 8.208 1.00 0.00 WT1 H ATOM 14755 OH2 TIP3 4520 29.037 89.289 -11.458 1.00 0.00 WT1 O ATOM 14756 H1 TIP3 4520 28.460 90.019 -11.231 1.00 0.00 WT1 H ATOM 14757 H2 TIP3 4520 29.876 89.701 -11.664 1.00 0.00 WT1 H ATOM 14758 OH2 TIP3 4521 30.542 36.177 -0.863 1.00 0.00 WT1 O ATOM 14759 H1 TIP3 4521 30.253 37.062 -1.085 1.00 0.00 WT1 H ATOM 14760 H2 TIP3 4521 31.419 36.109 -1.240 1.00 0.00 WT1 H ATOM 14761 OH2 TIP3 4522 65.807 49.259 11.146 1.00 0.00 WT1 O ATOM 14762 H1 TIP3 4522 65.425 48.442 11.467 1.00 0.00 WT1 H ATOM 14763 H2 TIP3 4522 66.037 49.744 11.938 1.00 0.00 WT1 H ATOM 14764 OH2 TIP3 4523 29.621 76.236 9.374 1.00 0.00 WT1 O ATOM 14765 H1 TIP3 4523 30.389 76.651 9.767 1.00 0.00 WT1 H ATOM 14766 H2 TIP3 4523 29.049 76.966 9.137 1.00 0.00 WT1 H ATOM 14767 OH2 TIP3 4524 84.453 30.022 45.571 1.00 0.00 WT1 O ATOM 14768 H1 TIP3 4524 84.386 29.067 45.578 1.00 0.00 WT1 H ATOM 14769 H2 TIP3 4524 85.193 30.207 44.993 1.00 0.00 WT1 H ATOM 14770 OH2 TIP3 4525 84.042 40.646 29.371 1.00 0.00 WT1 O ATOM 14771 H1 TIP3 4525 83.527 41.005 28.649 1.00 0.00 WT1 H ATOM 14772 H2 TIP3 4525 83.490 39.955 29.739 1.00 0.00 WT1 H ATOM 14773 OH2 TIP3 4526 90.294 27.515 48.249 1.00 0.00 WT1 O ATOM 14774 H1 TIP3 4526 91.070 27.841 47.793 1.00 0.00 WT1 H ATOM 14775 H2 TIP3 4526 90.330 26.566 48.136 1.00 0.00 WT1 H ATOM 14776 OH2 TIP3 4527 76.874 75.984 60.034 1.00 0.00 WT1 O ATOM 14777 H1 TIP3 4527 76.640 75.141 59.647 1.00 0.00 WT1 H ATOM 14778 H2 TIP3 4527 77.787 76.120 59.778 1.00 0.00 WT1 H ATOM 14779 OH2 TIP3 4528 61.842 17.055 40.356 1.00 0.00 WT1 O ATOM 14780 H1 TIP3 4528 61.293 16.632 39.695 1.00 0.00 WT1 H ATOM 14781 H2 TIP3 4528 62.647 16.538 40.365 1.00 0.00 WT1 H ATOM 14782 OH2 TIP3 4529 64.456 1.439 -9.930 1.00 0.00 WT1 O ATOM 14783 H1 TIP3 4529 65.074 2.170 -9.905 1.00 0.00 WT1 H ATOM 14784 H2 TIP3 4529 63.810 1.694 -10.588 1.00 0.00 WT1 H ATOM 14785 OH2 TIP3 4530 51.231 3.319 -2.756 1.00 0.00 WT1 O ATOM 14786 H1 TIP3 4530 50.747 3.405 -1.935 1.00 0.00 WT1 H ATOM 14787 H2 TIP3 4530 50.693 2.737 -3.292 1.00 0.00 WT1 H ATOM 14788 OH2 TIP3 4531 82.443 39.968 62.725 1.00 0.00 WT1 O ATOM 14789 H1 TIP3 4531 82.887 40.413 62.002 1.00 0.00 WT1 H ATOM 14790 H2 TIP3 4531 81.980 40.666 63.187 1.00 0.00 WT1 H ATOM 14791 OH2 TIP3 4532 56.311 76.415 32.460 1.00 0.00 WT1 O ATOM 14792 H1 TIP3 4532 56.418 75.464 32.448 1.00 0.00 WT1 H ATOM 14793 H2 TIP3 4532 55.492 76.570 31.989 1.00 0.00 WT1 H ATOM 14794 OH2 TIP3 4533 53.792 8.022 28.631 1.00 0.00 WT1 O ATOM 14795 H1 TIP3 4533 53.561 7.160 28.976 1.00 0.00 WT1 H ATOM 14796 H2 TIP3 4533 54.715 8.132 28.857 1.00 0.00 WT1 H ATOM 14797 OH2 TIP3 4534 41.087 15.590 18.192 1.00 0.00 WT1 O ATOM 14798 H1 TIP3 4534 41.904 15.819 17.749 1.00 0.00 WT1 H ATOM 14799 H2 TIP3 4534 40.604 16.415 18.246 1.00 0.00 WT1 H ATOM 14800 OH2 TIP3 4535 68.354 36.413 2.465 1.00 0.00 WT1 O ATOM 14801 H1 TIP3 4535 67.553 36.325 2.981 1.00 0.00 WT1 H ATOM 14802 H2 TIP3 4535 68.809 37.161 2.852 1.00 0.00 WT1 H ATOM 14803 OH2 TIP3 4536 51.728 1.981 0.610 1.00 0.00 WT1 O ATOM 14804 H1 TIP3 4536 51.397 2.866 0.460 1.00 0.00 WT1 H ATOM 14805 H2 TIP3 4536 51.849 1.927 1.558 1.00 0.00 WT1 H ATOM 14806 OH2 TIP3 4537 37.537 82.680 7.779 1.00 0.00 WT1 O ATOM 14807 H1 TIP3 4537 38.365 82.577 8.248 1.00 0.00 WT1 H ATOM 14808 H2 TIP3 4537 37.441 81.868 7.281 1.00 0.00 WT1 H ATOM 14809 OH2 TIP3 4538 67.320 35.750 21.703 1.00 0.00 WT1 O ATOM 14810 H1 TIP3 4538 67.656 35.920 20.823 1.00 0.00 WT1 H ATOM 14811 H2 TIP3 4538 67.487 34.819 21.848 1.00 0.00 WT1 H ATOM 14812 OH2 TIP3 4539 61.977 7.138 4.512 1.00 0.00 WT1 O ATOM 14813 H1 TIP3 4539 61.910 8.024 4.867 1.00 0.00 WT1 H ATOM 14814 H2 TIP3 4539 61.276 7.086 3.862 1.00 0.00 WT1 H ATOM 14815 OH2 TIP3 4540 38.281 55.900 55.272 1.00 0.00 WT1 O ATOM 14816 H1 TIP3 4540 37.589 56.221 55.851 1.00 0.00 WT1 H ATOM 14817 H2 TIP3 4540 37.879 55.883 54.404 1.00 0.00 WT1 H ATOM 14818 OH2 TIP3 4541 84.394 92.356 21.981 1.00 0.00 WT1 O ATOM 14819 H1 TIP3 4541 84.272 91.603 21.403 1.00 0.00 WT1 H ATOM 14820 H2 TIP3 4541 83.550 92.807 21.968 1.00 0.00 WT1 H ATOM 14821 OH2 TIP3 4542 37.261 87.328 11.014 1.00 0.00 WT1 O ATOM 14822 H1 TIP3 4542 37.132 87.133 10.086 1.00 0.00 WT1 H ATOM 14823 H2 TIP3 4542 36.823 86.611 11.473 1.00 0.00 WT1 H ATOM 14824 OH2 TIP3 4544 39.405 18.285 53.477 1.00 0.00 WT1 O ATOM 14825 H1 TIP3 4544 39.082 19.184 53.535 1.00 0.00 WT1 H ATOM 14826 H2 TIP3 4544 40.347 18.377 53.336 1.00 0.00 WT1 H ATOM 14827 OH2 TIP3 4545 74.798 30.554 -4.978 1.00 0.00 WT1 O ATOM 14828 H1 TIP3 4545 75.396 31.141 -4.514 1.00 0.00 WT1 H ATOM 14829 H2 TIP3 4545 74.102 31.127 -5.299 1.00 0.00 WT1 H ATOM 14830 OH2 TIP3 4546 79.312 28.402 1.887 1.00 0.00 WT1 O ATOM 14831 H1 TIP3 4546 78.442 28.601 1.542 1.00 0.00 WT1 H ATOM 14832 H2 TIP3 4546 79.153 28.099 2.781 1.00 0.00 WT1 H ATOM 14833 OH2 TIP3 4547 38.981 60.023 52.317 1.00 0.00 WT1 O ATOM 14834 H1 TIP3 4547 39.579 60.635 51.888 1.00 0.00 WT1 H ATOM 14835 H2 TIP3 4547 39.538 59.292 52.585 1.00 0.00 WT1 H ATOM 14836 OH2 TIP3 4548 53.392 90.288 22.232 1.00 0.00 WT1 O ATOM 14837 H1 TIP3 4548 53.510 90.204 23.178 1.00 0.00 WT1 H ATOM 14838 H2 TIP3 4548 52.760 89.605 22.007 1.00 0.00 WT1 H ATOM 14839 OH2 TIP3 4549 31.301 18.150 64.903 1.00 0.00 WT1 O ATOM 14840 H1 TIP3 4549 30.686 17.743 64.292 1.00 0.00 WT1 H ATOM 14841 H2 TIP3 4549 30.758 18.724 65.443 1.00 0.00 WT1 H ATOM 14842 OH2 TIP3 4550 33.853 8.283 42.322 1.00 0.00 WT1 O ATOM 14843 H1 TIP3 4550 34.015 8.889 43.045 1.00 0.00 WT1 H ATOM 14844 H2 TIP3 4550 34.388 8.619 41.603 1.00 0.00 WT1 H ATOM 14845 OH2 TIP3 4552 59.780 13.435 27.433 1.00 0.00 WT1 O ATOM 14846 H1 TIP3 4552 60.655 13.122 27.203 1.00 0.00 WT1 H ATOM 14847 H2 TIP3 4552 59.911 14.351 27.679 1.00 0.00 WT1 H ATOM 14848 OH2 TIP3 4553 85.936 28.076 -17.292 1.00 0.00 WT1 O ATOM 14849 H1 TIP3 4553 85.576 28.474 -16.499 1.00 0.00 WT1 H ATOM 14850 H2 TIP3 4553 85.750 28.709 -17.985 1.00 0.00 WT1 H ATOM 14851 OH2 TIP3 4554 64.141 10.383 12.700 1.00 0.00 WT1 O ATOM 14852 H1 TIP3 4554 64.486 9.881 11.963 1.00 0.00 WT1 H ATOM 14853 H2 TIP3 4554 64.378 9.870 13.473 1.00 0.00 WT1 H ATOM 14854 OH2 TIP3 4555 25.945 7.241 10.426 1.00 0.00 WT1 O ATOM 14855 H1 TIP3 4555 26.040 7.519 11.337 1.00 0.00 WT1 H ATOM 14856 H2 TIP3 4555 26.470 6.443 10.363 1.00 0.00 WT1 H ATOM 14857 OH2 TIP3 4556 41.463 33.375 -17.160 1.00 0.00 WT1 O ATOM 14858 H1 TIP3 4556 42.233 33.358 -16.592 1.00 0.00 WT1 H ATOM 14859 H2 TIP3 4556 41.410 32.490 -17.519 1.00 0.00 WT1 H ATOM 14860 OH2 TIP3 4557 81.435 23.273 10.558 1.00 0.00 WT1 O ATOM 14861 H1 TIP3 4557 82.127 23.374 9.905 1.00 0.00 WT1 H ATOM 14862 H2 TIP3 4557 81.804 22.674 11.208 1.00 0.00 WT1 H ATOM 14863 OH2 TIP3 4558 64.437 29.350 -1.043 1.00 0.00 WT1 O ATOM 14864 H1 TIP3 4558 64.394 29.192 -0.100 1.00 0.00 WT1 H ATOM 14865 H2 TIP3 4558 65.035 30.092 -1.135 1.00 0.00 WT1 H ATOM 14866 OH2 TIP3 4559 73.583 91.324 27.091 1.00 0.00 WT1 O ATOM 14867 H1 TIP3 4559 72.701 91.004 27.281 1.00 0.00 WT1 H ATOM 14868 H2 TIP3 4559 73.516 91.706 26.216 1.00 0.00 WT1 H ATOM 14869 OH2 TIP3 4560 56.447 18.624 11.935 1.00 0.00 WT1 O ATOM 14870 H1 TIP3 4560 55.679 19.005 11.510 1.00 0.00 WT1 H ATOM 14871 H2 TIP3 4560 56.963 18.260 11.215 1.00 0.00 WT1 H ATOM 14872 OH2 TIP3 4561 24.543 31.255 -16.739 1.00 0.00 WT1 O ATOM 14873 H1 TIP3 4561 24.980 31.770 -16.061 1.00 0.00 WT1 H ATOM 14874 H2 TIP3 4561 25.119 31.323 -17.500 1.00 0.00 WT1 H ATOM 14875 OH2 TIP3 4562 22.130 93.554 42.018 1.00 0.00 WT1 O ATOM 14876 H1 TIP3 4562 22.371 93.291 41.130 1.00 0.00 WT1 H ATOM 14877 H2 TIP3 4562 22.133 92.739 42.519 1.00 0.00 WT1 H ATOM 14878 OH2 TIP3 4563 69.929 44.853 54.497 1.00 0.00 WT1 O ATOM 14879 H1 TIP3 4563 69.230 44.876 55.151 1.00 0.00 WT1 H ATOM 14880 H2 TIP3 4563 69.518 45.173 53.694 1.00 0.00 WT1 H ATOM 14881 OH2 TIP3 4564 29.453 65.561 -6.970 1.00 0.00 WT1 O ATOM 14882 H1 TIP3 4564 29.330 64.622 -7.108 1.00 0.00 WT1 H ATOM 14883 H2 TIP3 4564 29.900 65.622 -6.126 1.00 0.00 WT1 H ATOM 14884 OH2 TIP3 4565 36.426 45.714 -1.035 1.00 0.00 WT1 O ATOM 14885 H1 TIP3 4565 37.218 45.176 -1.063 1.00 0.00 WT1 H ATOM 14886 H2 TIP3 4565 36.703 46.526 -0.611 1.00 0.00 WT1 H ATOM 14887 OH2 TIP3 4569 20.346 5.559 -0.430 1.00 0.00 WT1 O ATOM 14888 H1 TIP3 4569 21.125 5.247 -0.890 1.00 0.00 WT1 H ATOM 14889 H2 TIP3 4569 19.992 6.246 -0.995 1.00 0.00 WT1 H ATOM 14890 OH2 TIP3 4570 80.123 55.708 63.560 1.00 0.00 WT1 O ATOM 14891 H1 TIP3 4570 80.728 55.836 62.829 1.00 0.00 WT1 H ATOM 14892 H2 TIP3 4570 79.257 55.867 63.186 1.00 0.00 WT1 H ATOM 14893 OH2 TIP3 4571 85.194 3.795 9.376 1.00 0.00 WT1 O ATOM 14894 H1 TIP3 4571 85.288 4.638 9.820 1.00 0.00 WT1 H ATOM 14895 H2 TIP3 4571 85.466 3.149 10.028 1.00 0.00 WT1 H ATOM 14896 OH2 TIP3 4573 57.843 36.763 11.115 1.00 0.00 WT1 O ATOM 14897 H1 TIP3 4573 57.574 37.436 10.490 1.00 0.00 WT1 H ATOM 14898 H2 TIP3 4573 57.067 36.613 11.655 1.00 0.00 WT1 H ATOM 14899 OH2 TIP3 4574 35.677 19.673 -12.560 1.00 0.00 WT1 O ATOM 14900 H1 TIP3 4574 35.351 18.886 -12.998 1.00 0.00 WT1 H ATOM 14901 H2 TIP3 4574 35.415 20.393 -13.134 1.00 0.00 WT1 H ATOM 14902 OH2 TIP3 4575 24.014 56.395 20.399 1.00 0.00 WT1 O ATOM 14903 H1 TIP3 4575 23.912 55.457 20.235 1.00 0.00 WT1 H ATOM 14904 H2 TIP3 4575 23.120 56.718 20.507 1.00 0.00 WT1 H ATOM 14905 OH2 TIP3 4576 44.792 10.043 40.317 1.00 0.00 WT1 O ATOM 14906 H1 TIP3 4576 45.733 9.906 40.211 1.00 0.00 WT1 H ATOM 14907 H2 TIP3 4576 44.405 9.669 39.525 1.00 0.00 WT1 H ATOM 14908 OH2 TIP3 4577 88.112 86.508 14.210 1.00 0.00 WT1 O ATOM 14909 H1 TIP3 4577 87.734 86.975 14.955 1.00 0.00 WT1 H ATOM 14910 H2 TIP3 4577 88.964 86.923 14.074 1.00 0.00 WT1 H ATOM 14911 OH2 TIP3 4578 49.629 34.200 64.566 1.00 0.00 WT1 O ATOM 14912 H1 TIP3 4578 49.440 33.912 63.673 1.00 0.00 WT1 H ATOM 14913 H2 TIP3 4578 49.948 35.097 64.467 1.00 0.00 WT1 H ATOM 14914 OH2 TIP3 4579 48.323 23.513 0.111 1.00 0.00 WT1 O ATOM 14915 H1 TIP3 4579 47.667 24.105 -0.256 1.00 0.00 WT1 H ATOM 14916 H2 TIP3 4579 48.721 24.010 0.826 1.00 0.00 WT1 H ATOM 14917 OH2 TIP3 4580 48.806 7.215 48.760 1.00 0.00 WT1 O ATOM 14918 H1 TIP3 4580 48.667 7.631 47.909 1.00 0.00 WT1 H ATOM 14919 H2 TIP3 4580 47.925 7.079 49.108 1.00 0.00 WT1 H ATOM 14920 OH2 TIP3 4581 54.689 33.896 38.231 1.00 0.00 WT1 O ATOM 14921 H1 TIP3 4581 55.063 34.766 38.370 1.00 0.00 WT1 H ATOM 14922 H2 TIP3 4581 54.480 33.870 37.298 1.00 0.00 WT1 H ATOM 14923 OH2 TIP3 4582 56.795 44.251 40.154 1.00 0.00 WT1 O ATOM 14924 H1 TIP3 4582 56.992 45.030 39.634 1.00 0.00 WT1 H ATOM 14925 H2 TIP3 4582 55.907 44.006 39.893 1.00 0.00 WT1 H ATOM 14926 OH2 TIP3 4583 88.120 53.208 18.290 1.00 0.00 WT1 O ATOM 14927 H1 TIP3 4583 88.116 52.255 18.210 1.00 0.00 WT1 H ATOM 14928 H2 TIP3 4583 89.046 53.448 18.260 1.00 0.00 WT1 H ATOM 14929 OH2 TIP3 4584 50.258 2.965 -12.171 1.00 0.00 WT1 O ATOM 14930 H1 TIP3 4584 50.975 2.640 -11.627 1.00 0.00 WT1 H ATOM 14931 H2 TIP3 4584 50.214 3.901 -11.978 1.00 0.00 WT1 H ATOM 14932 OH2 TIP3 4586 71.600 8.511 55.751 1.00 0.00 WT1 O ATOM 14933 H1 TIP3 4586 71.598 7.574 55.949 1.00 0.00 WT1 H ATOM 14934 H2 TIP3 4586 70.717 8.805 55.976 1.00 0.00 WT1 H ATOM 14935 OH2 TIP3 4588 47.119 60.848 53.316 1.00 0.00 WT1 O ATOM 14936 H1 TIP3 4588 47.254 60.058 52.792 1.00 0.00 WT1 H ATOM 14937 H2 TIP3 4588 47.800 61.451 53.019 1.00 0.00 WT1 H ATOM 14938 OH2 TIP3 4589 41.354 54.036 57.229 1.00 0.00 WT1 O ATOM 14939 H1 TIP3 4589 42.136 54.346 57.685 1.00 0.00 WT1 H ATOM 14940 H2 TIP3 4589 41.678 53.368 56.624 1.00 0.00 WT1 H ATOM 14941 OH2 TIP3 4591 75.717 59.984 33.939 1.00 0.00 WT1 O ATOM 14942 H1 TIP3 4591 75.152 59.460 34.507 1.00 0.00 WT1 H ATOM 14943 H2 TIP3 4591 75.346 59.875 33.064 1.00 0.00 WT1 H ATOM 14944 OH2 TIP3 4594 41.983 15.123 9.253 1.00 0.00 WT1 O ATOM 14945 H1 TIP3 4594 42.358 14.600 9.961 1.00 0.00 WT1 H ATOM 14946 H2 TIP3 4594 42.477 15.943 9.273 1.00 0.00 WT1 H ATOM 14947 OH2 TIP3 4596 76.045 94.427 27.370 1.00 0.00 WT1 O ATOM 14948 H1 TIP3 4596 75.507 94.163 26.624 1.00 0.00 WT1 H ATOM 14949 H2 TIP3 4596 75.700 95.282 27.625 1.00 0.00 WT1 H ATOM 14950 OH2 TIP3 4597 81.407 59.973 56.660 1.00 0.00 WT1 O ATOM 14951 H1 TIP3 4597 81.329 59.891 55.709 1.00 0.00 WT1 H ATOM 14952 H2 TIP3 4597 82.086 59.343 56.900 1.00 0.00 WT1 H ATOM 14953 OH2 TIP3 4598 44.603 48.265 36.347 1.00 0.00 WT1 O ATOM 14954 H1 TIP3 4598 44.565 48.334 35.393 1.00 0.00 WT1 H ATOM 14955 H2 TIP3 4598 45.487 47.945 36.530 1.00 0.00 WT1 H ATOM 14956 OH2 TIP3 4599 39.210 1.277 4.062 1.00 0.00 WT1 O ATOM 14957 H1 TIP3 4599 38.644 1.440 4.817 1.00 0.00 WT1 H ATOM 14958 H2 TIP3 4599 38.957 1.945 3.424 1.00 0.00 WT1 H ATOM 14959 OH2 TIP3 4600 67.835 52.624 18.054 1.00 0.00 WT1 O ATOM 14960 H1 TIP3 4600 66.909 52.738 17.836 1.00 0.00 WT1 H ATOM 14961 H2 TIP3 4600 68.175 52.055 17.364 1.00 0.00 WT1 H ATOM 14962 OH2 TIP3 4601 26.011 74.054 22.023 1.00 0.00 WT1 O ATOM 14963 H1 TIP3 4601 25.528 73.304 22.369 1.00 0.00 WT1 H ATOM 14964 H2 TIP3 4601 26.058 73.895 21.080 1.00 0.00 WT1 H ATOM 14965 OH2 TIP3 4602 72.958 46.006 -9.240 1.00 0.00 WT1 O ATOM 14966 H1 TIP3 4602 73.282 45.333 -8.641 1.00 0.00 WT1 H ATOM 14967 H2 TIP3 4602 72.044 45.768 -9.394 1.00 0.00 WT1 H ATOM 14968 OH2 TIP3 4603 77.723 60.263 -16.154 1.00 0.00 WT1 O ATOM 14969 H1 TIP3 4603 78.237 60.880 -15.634 1.00 0.00 WT1 H ATOM 14970 H2 TIP3 4603 77.584 59.516 -15.572 1.00 0.00 WT1 H ATOM 14971 OH2 TIP3 4605 56.179 14.029 -16.400 1.00 0.00 WT1 O ATOM 14972 H1 TIP3 4605 55.480 13.601 -16.895 1.00 0.00 WT1 H ATOM 14973 H2 TIP3 4605 56.984 13.773 -16.851 1.00 0.00 WT1 H ATOM 14974 OH2 TIP3 4606 88.240 17.916 45.984 1.00 0.00 WT1 O ATOM 14975 H1 TIP3 4606 88.481 18.785 45.662 1.00 0.00 WT1 H ATOM 14976 H2 TIP3 4606 88.318 17.347 45.219 1.00 0.00 WT1 H ATOM 14977 OH2 TIP3 4607 60.404 3.480 31.760 1.00 0.00 WT1 O ATOM 14978 H1 TIP3 4607 61.109 3.592 31.122 1.00 0.00 WT1 H ATOM 14979 H2 TIP3 4607 60.366 2.536 31.911 1.00 0.00 WT1 H ATOM 14980 OH2 TIP3 4609 30.190 43.227 23.224 1.00 0.00 WT1 O ATOM 14981 H1 TIP3 4609 30.563 43.952 23.725 1.00 0.00 WT1 H ATOM 14982 H2 TIP3 4609 30.713 43.195 22.423 1.00 0.00 WT1 H ATOM 14983 OH2 TIP3 4610 43.438 68.318 -11.715 1.00 0.00 WT1 O ATOM 14984 H1 TIP3 4610 42.811 69.040 -11.715 1.00 0.00 WT1 H ATOM 14985 H2 TIP3 4610 43.793 68.307 -10.826 1.00 0.00 WT1 H ATOM 14986 OH2 TIP3 4612 66.533 83.346 15.769 1.00 0.00 WT1 O ATOM 14987 H1 TIP3 4612 66.786 82.442 15.951 1.00 0.00 WT1 H ATOM 14988 H2 TIP3 4612 67.141 83.875 16.286 1.00 0.00 WT1 H ATOM 14989 OH2 TIP3 4616 80.919 66.099 24.217 1.00 0.00 WT1 O ATOM 14990 H1 TIP3 4616 81.068 66.190 23.276 1.00 0.00 WT1 H ATOM 14991 H2 TIP3 4616 80.631 65.193 24.329 1.00 0.00 WT1 H ATOM 14992 OH2 TIP3 4619 28.712 16.376 9.944 1.00 0.00 WT1 O ATOM 14993 H1 TIP3 4619 28.042 16.765 9.381 1.00 0.00 WT1 H ATOM 14994 H2 TIP3 4619 28.675 16.888 10.751 1.00 0.00 WT1 H ATOM 14995 OH2 TIP3 4620 33.986 75.613 45.240 1.00 0.00 WT1 O ATOM 14996 H1 TIP3 4620 33.076 75.843 45.056 1.00 0.00 WT1 H ATOM 14997 H2 TIP3 4620 34.291 76.296 45.837 1.00 0.00 WT1 H ATOM 14998 OH2 TIP3 4621 73.201 46.022 6.352 1.00 0.00 WT1 O ATOM 14999 H1 TIP3 4621 72.776 45.235 6.693 1.00 0.00 WT1 H ATOM 15000 H2 TIP3 4621 72.479 46.580 6.064 1.00 0.00 WT1 H ATOM 15001 OH2 TIP3 4622 22.963 37.333 10.959 1.00 0.00 WT1 O ATOM 15002 H1 TIP3 4622 22.408 36.943 11.634 1.00 0.00 WT1 H ATOM 15003 H2 TIP3 4622 22.835 36.775 10.192 1.00 0.00 WT1 H ATOM 15004 OH2 TIP3 4623 61.925 93.518 -14.538 1.00 0.00 WT1 O ATOM 15005 H1 TIP3 4623 61.562 93.059 -15.296 1.00 0.00 WT1 H ATOM 15006 H2 TIP3 4623 62.828 93.206 -14.479 1.00 0.00 WT1 H ATOM 15007 OH2 TIP3 4624 67.898 19.434 8.718 1.00 0.00 WT1 O ATOM 15008 H1 TIP3 4624 67.717 18.600 9.151 1.00 0.00 WT1 H ATOM 15009 H2 TIP3 4624 67.947 20.070 9.433 1.00 0.00 WT1 H ATOM 15010 OH2 TIP3 4625 42.034 52.182 -0.876 1.00 0.00 WT1 O ATOM 15011 H1 TIP3 4625 42.082 52.758 -1.639 1.00 0.00 WT1 H ATOM 15012 H2 TIP3 4625 41.768 52.757 -0.158 1.00 0.00 WT1 H ATOM 15013 OH2 TIP3 4626 51.635 27.116 35.991 1.00 0.00 WT1 O ATOM 15014 H1 TIP3 4626 51.742 27.552 35.146 1.00 0.00 WT1 H ATOM 15015 H2 TIP3 4626 50.751 27.350 36.273 1.00 0.00 WT1 H ATOM 15016 OH2 TIP3 4627 57.034 55.740 63.546 1.00 0.00 WT1 O ATOM 15017 H1 TIP3 4627 56.526 56.426 63.979 1.00 0.00 WT1 H ATOM 15018 H2 TIP3 4627 56.587 55.601 62.711 1.00 0.00 WT1 H ATOM 15019 OH2 TIP3 4628 43.319 8.971 29.543 1.00 0.00 WT1 O ATOM 15020 H1 TIP3 4628 44.052 8.459 29.885 1.00 0.00 WT1 H ATOM 15021 H2 TIP3 4628 43.713 9.798 29.264 1.00 0.00 WT1 H ATOM 15022 OH2 TIP3 4629 51.986 45.984 0.833 1.00 0.00 WT1 O ATOM 15023 H1 TIP3 4629 52.001 45.435 1.617 1.00 0.00 WT1 H ATOM 15024 H2 TIP3 4629 52.714 46.593 0.952 1.00 0.00 WT1 H ATOM 15025 OH2 TIP3 4631 30.592 27.670 43.031 1.00 0.00 WT1 O ATOM 15026 H1 TIP3 4631 31.337 28.198 43.318 1.00 0.00 WT1 H ATOM 15027 H2 TIP3 4631 30.927 27.162 42.293 1.00 0.00 WT1 H ATOM 15028 OH2 TIP3 4632 51.463 96.385 22.659 1.00 0.00 WT1 O ATOM 15029 H1 TIP3 4632 51.483 95.882 23.473 1.00 0.00 WT1 H ATOM 15030 H2 TIP3 4632 50.532 96.511 22.477 1.00 0.00 WT1 H ATOM 15031 OH2 TIP3 4633 35.148 10.695 6.866 1.00 0.00 WT1 O ATOM 15032 H1 TIP3 4633 35.382 11.615 6.986 1.00 0.00 WT1 H ATOM 15033 H2 TIP3 4633 34.538 10.697 6.129 1.00 0.00 WT1 H ATOM 15034 OH2 TIP3 4637 25.512 51.555 -8.152 1.00 0.00 WT1 O ATOM 15035 H1 TIP3 4637 24.603 51.255 -8.159 1.00 0.00 WT1 H ATOM 15036 H2 TIP3 4637 25.452 52.506 -8.248 1.00 0.00 WT1 H ATOM 15037 OH2 TIP3 4638 62.676 96.488 -14.901 1.00 0.00 WT1 O ATOM 15038 H1 TIP3 4638 61.844 96.102 -14.626 1.00 0.00 WT1 H ATOM 15039 H2 TIP3 4638 62.945 95.965 -15.656 1.00 0.00 WT1 H ATOM 15040 OH2 TIP3 4639 70.107 12.662 43.051 1.00 0.00 WT1 O ATOM 15041 H1 TIP3 4639 70.473 12.328 42.232 1.00 0.00 WT1 H ATOM 15042 H2 TIP3 4639 70.670 12.296 43.733 1.00 0.00 WT1 H ATOM 15043 OH2 TIP3 4640 78.777 32.863 47.716 1.00 0.00 WT1 O ATOM 15044 H1 TIP3 4640 78.822 33.818 47.759 1.00 0.00 WT1 H ATOM 15045 H2 TIP3 4640 79.691 32.579 47.720 1.00 0.00 WT1 H ATOM 15046 OH2 TIP3 4641 62.228 22.165 13.289 1.00 0.00 WT1 O ATOM 15047 H1 TIP3 4641 62.711 22.119 12.463 1.00 0.00 WT1 H ATOM 15048 H2 TIP3 4641 61.557 21.486 13.213 1.00 0.00 WT1 H ATOM 15049 OH2 TIP3 4643 25.955 28.757 -15.682 1.00 0.00 WT1 O ATOM 15050 H1 TIP3 4643 26.347 29.596 -15.440 1.00 0.00 WT1 H ATOM 15051 H2 TIP3 4643 25.026 28.953 -15.805 1.00 0.00 WT1 H ATOM 15052 OH2 TIP3 4645 88.874 17.905 65.646 1.00 0.00 WT1 O ATOM 15053 H1 TIP3 4645 88.692 18.180 66.545 1.00 0.00 WT1 H ATOM 15054 H2 TIP3 4645 89.438 18.595 65.294 1.00 0.00 WT1 H ATOM 15055 OH2 TIP3 4647 37.847 34.857 14.040 1.00 0.00 WT1 O ATOM 15056 H1 TIP3 4647 37.506 34.602 13.182 1.00 0.00 WT1 H ATOM 15057 H2 TIP3 4647 38.471 35.557 13.852 1.00 0.00 WT1 H ATOM 15058 OH2 TIP3 4648 53.110 45.367 43.508 1.00 0.00 WT1 O ATOM 15059 H1 TIP3 4648 52.589 44.848 42.894 1.00 0.00 WT1 H ATOM 15060 H2 TIP3 4648 52.475 45.690 44.147 1.00 0.00 WT1 H ATOM 15061 OH2 TIP3 4649 58.747 57.751 -18.052 1.00 0.00 WT1 O ATOM 15062 H1 TIP3 4649 59.616 57.437 -17.803 1.00 0.00 WT1 H ATOM 15063 H2 TIP3 4649 58.216 56.957 -18.122 1.00 0.00 WT1 H ATOM 15064 OH2 TIP3 4650 29.590 36.232 21.200 1.00 0.00 WT1 O ATOM 15065 H1 TIP3 4650 29.751 37.106 21.556 1.00 0.00 WT1 H ATOM 15066 H2 TIP3 4650 30.447 35.937 20.893 1.00 0.00 WT1 H ATOM 15067 OH2 TIP3 4653 29.780 83.294 16.525 1.00 0.00 WT1 O ATOM 15068 H1 TIP3 4653 30.278 84.108 16.602 1.00 0.00 WT1 H ATOM 15069 H2 TIP3 4653 30.389 82.613 16.809 1.00 0.00 WT1 H ATOM 15070 OH2 TIP3 4654 28.768 76.606 31.284 1.00 0.00 WT1 O ATOM 15071 H1 TIP3 4654 28.648 76.529 30.337 1.00 0.00 WT1 H ATOM 15072 H2 TIP3 4654 29.475 77.243 31.385 1.00 0.00 WT1 H ATOM 15073 OH2 TIP3 4656 38.466 55.530 -17.273 1.00 0.00 WT1 O ATOM 15074 H1 TIP3 4656 38.840 55.377 -16.405 1.00 0.00 WT1 H ATOM 15075 H2 TIP3 4656 39.155 55.989 -17.754 1.00 0.00 WT1 H ATOM 15076 OH2 TIP3 4657 41.923 20.932 48.044 1.00 0.00 WT1 O ATOM 15077 H1 TIP3 4657 41.197 20.409 47.704 1.00 0.00 WT1 H ATOM 15078 H2 TIP3 4657 41.850 21.769 47.586 1.00 0.00 WT1 H ATOM 15079 OH2 TIP3 4658 56.750 42.108 -9.993 1.00 0.00 WT1 O ATOM 15080 H1 TIP3 4658 55.968 41.913 -9.478 1.00 0.00 WT1 H ATOM 15081 H2 TIP3 4658 56.426 42.235 -10.885 1.00 0.00 WT1 H ATOM 15082 OH2 TIP3 4660 72.149 36.887 17.416 1.00 0.00 WT1 O ATOM 15083 H1 TIP3 4660 71.385 36.753 16.856 1.00 0.00 WT1 H ATOM 15084 H2 TIP3 4660 72.461 37.764 17.190 1.00 0.00 WT1 H ATOM 15085 OH2 TIP3 4661 35.107 50.536 50.055 1.00 0.00 WT1 O ATOM 15086 H1 TIP3 4661 34.240 50.781 50.377 1.00 0.00 WT1 H ATOM 15087 H2 TIP3 4661 35.650 51.308 50.214 1.00 0.00 WT1 H ATOM 15088 OH2 TIP3 4662 22.119 62.463 30.169 1.00 0.00 WT1 O ATOM 15089 H1 TIP3 4662 22.458 63.097 30.800 1.00 0.00 WT1 H ATOM 15090 H2 TIP3 4662 21.516 62.967 29.622 1.00 0.00 WT1 H ATOM 15091 OH2 TIP3 4663 23.543 2.148 53.468 1.00 0.00 WT1 O ATOM 15092 H1 TIP3 4663 23.503 1.619 52.671 1.00 0.00 WT1 H ATOM 15093 H2 TIP3 4663 22.794 2.740 53.401 1.00 0.00 WT1 H ATOM 15094 OH2 TIP3 4664 30.259 47.774 -10.338 1.00 0.00 WT1 O ATOM 15095 H1 TIP3 4664 30.393 46.988 -10.868 1.00 0.00 WT1 H ATOM 15096 H2 TIP3 4664 29.449 48.156 -10.676 1.00 0.00 WT1 H ATOM 15097 OH2 TIP3 4665 66.674 67.413 50.839 1.00 0.00 WT1 O ATOM 15098 H1 TIP3 4665 66.544 66.695 51.458 1.00 0.00 WT1 H ATOM 15099 H2 TIP3 4665 67.251 67.049 50.167 1.00 0.00 WT1 H ATOM 15100 OH2 TIP3 4666 62.819 36.379 16.916 1.00 0.00 WT1 O ATOM 15101 H1 TIP3 4666 62.374 35.768 16.329 1.00 0.00 WT1 H ATOM 15102 H2 TIP3 4666 62.159 37.043 17.117 1.00 0.00 WT1 H ATOM 15103 OH2 TIP3 4667 88.540 5.589 -19.273 1.00 0.00 WT1 O ATOM 15104 H1 TIP3 4667 87.591 5.717 -19.267 1.00 0.00 WT1 H ATOM 15105 H2 TIP3 4667 88.827 5.966 -20.105 1.00 0.00 WT1 H ATOM 15106 OH2 TIP3 4668 79.307 59.199 64.824 1.00 0.00 WT1 O ATOM 15107 H1 TIP3 4668 79.498 58.404 65.321 1.00 0.00 WT1 H ATOM 15108 H2 TIP3 4668 78.398 59.095 64.543 1.00 0.00 WT1 H ATOM 15109 OH2 TIP3 4669 54.651 39.763 11.161 1.00 0.00 WT1 O ATOM 15110 H1 TIP3 4669 54.306 39.202 11.855 1.00 0.00 WT1 H ATOM 15111 H2 TIP3 4669 54.598 40.649 11.520 1.00 0.00 WT1 H ATOM 15112 OH2 TIP3 4670 73.371 46.576 15.548 1.00 0.00 WT1 O ATOM 15113 H1 TIP3 4670 72.451 46.830 15.623 1.00 0.00 WT1 H ATOM 15114 H2 TIP3 4670 73.637 46.375 16.445 1.00 0.00 WT1 H ATOM 15115 OH2 TIP3 4672 65.998 47.214 23.310 1.00 0.00 WT1 O ATOM 15116 H1 TIP3 4672 66.168 48.144 23.163 1.00 0.00 WT1 H ATOM 15117 H2 TIP3 4672 65.282 47.004 22.710 1.00 0.00 WT1 H ATOM 15118 OH2 TIP3 4673 31.041 73.543 14.877 1.00 0.00 WT1 O ATOM 15119 H1 TIP3 4673 31.972 73.760 14.838 1.00 0.00 WT1 H ATOM 15120 H2 TIP3 4673 30.593 74.382 14.766 1.00 0.00 WT1 H ATOM 15121 OH2 TIP3 4679 68.063 22.999 43.976 1.00 0.00 WT1 O ATOM 15122 H1 TIP3 4679 68.036 23.903 44.289 1.00 0.00 WT1 H ATOM 15123 H2 TIP3 4679 68.957 22.709 44.157 1.00 0.00 WT1 H ATOM 15124 OH2 TIP3 4680 78.371 4.524 41.247 1.00 0.00 WT1 O ATOM 15125 H1 TIP3 4680 78.205 5.271 40.672 1.00 0.00 WT1 H ATOM 15126 H2 TIP3 4680 78.750 3.859 40.673 1.00 0.00 WT1 H ATOM 15127 OH2 TIP3 4681 77.996 55.566 61.665 1.00 0.00 WT1 O ATOM 15128 H1 TIP3 4681 77.275 55.776 61.072 1.00 0.00 WT1 H ATOM 15129 H2 TIP3 4681 78.017 54.609 61.689 1.00 0.00 WT1 H ATOM 15130 OH2 TIP3 4682 74.542 42.303 65.731 1.00 0.00 WT1 O ATOM 15131 H1 TIP3 4682 74.747 42.075 66.638 1.00 0.00 WT1 H ATOM 15132 H2 TIP3 4682 73.874 42.984 65.800 1.00 0.00 WT1 H ATOM 15133 OH2 TIP3 4683 47.130 3.056 28.341 1.00 0.00 WT1 O ATOM 15134 H1 TIP3 4683 47.104 2.201 28.771 1.00 0.00 WT1 H ATOM 15135 H2 TIP3 4683 47.999 3.097 27.941 1.00 0.00 WT1 H ATOM 15136 OH2 TIP3 4684 68.548 77.798 20.746 1.00 0.00 WT1 O ATOM 15137 H1 TIP3 4684 67.880 77.823 20.061 1.00 0.00 WT1 H ATOM 15138 H2 TIP3 4684 68.142 77.304 21.459 1.00 0.00 WT1 H ATOM 15139 OH2 TIP3 4685 30.440 68.550 0.975 1.00 0.00 WT1 O ATOM 15140 H1 TIP3 4685 30.155 69.435 1.206 1.00 0.00 WT1 H ATOM 15141 H2 TIP3 4685 31.263 68.432 1.450 1.00 0.00 WT1 H ATOM 15142 OH2 TIP3 4686 34.352 7.615 64.855 1.00 0.00 WT1 O ATOM 15143 H1 TIP3 4686 35.169 7.281 65.226 1.00 0.00 WT1 H ATOM 15144 H2 TIP3 4686 34.497 8.556 64.763 1.00 0.00 WT1 H ATOM 15145 OH2 TIP3 4687 83.169 2.603 38.371 1.00 0.00 WT1 O ATOM 15146 H1 TIP3 4687 83.774 2.419 37.652 1.00 0.00 WT1 H ATOM 15147 H2 TIP3 4687 83.310 1.888 38.992 1.00 0.00 WT1 H ATOM 15148 OH2 TIP3 4690 42.646 20.919 -2.477 1.00 0.00 WT1 O ATOM 15149 H1 TIP3 4690 42.390 20.015 -2.659 1.00 0.00 WT1 H ATOM 15150 H2 TIP3 4690 41.926 21.272 -1.954 1.00 0.00 WT1 H ATOM 15151 OH2 TIP3 4691 32.452 56.124 21.236 1.00 0.00 WT1 O ATOM 15152 H1 TIP3 4691 32.574 55.570 20.465 1.00 0.00 WT1 H ATOM 15153 H2 TIP3 4691 32.964 56.912 21.049 1.00 0.00 WT1 H ATOM 15154 OH2 TIP3 4694 40.106 59.223 48.414 1.00 0.00 WT1 O ATOM 15155 H1 TIP3 4694 40.923 59.706 48.541 1.00 0.00 WT1 H ATOM 15156 H2 TIP3 4694 40.130 58.949 47.497 1.00 0.00 WT1 H ATOM 15157 OH2 TIP3 4701 40.924 8.538 27.905 1.00 0.00 WT1 O ATOM 15158 H1 TIP3 4701 41.281 9.063 27.189 1.00 0.00 WT1 H ATOM 15159 H2 TIP3 4701 41.627 8.507 28.554 1.00 0.00 WT1 H ATOM 15160 OH2 TIP3 4702 57.248 39.726 35.512 1.00 0.00 WT1 O ATOM 15161 H1 TIP3 4702 56.601 39.027 35.411 1.00 0.00 WT1 H ATOM 15162 H2 TIP3 4702 57.812 39.430 36.227 1.00 0.00 WT1 H ATOM 15163 OH2 TIP3 4703 33.407 49.283 62.774 1.00 0.00 WT1 O ATOM 15164 H1 TIP3 4703 33.917 48.652 62.266 1.00 0.00 WT1 H ATOM 15165 H2 TIP3 4703 34.022 49.618 63.427 1.00 0.00 WT1 H ATOM 15166 OH2 TIP3 4704 42.215 73.525 7.079 1.00 0.00 WT1 O ATOM 15167 H1 TIP3 4704 43.162 73.477 7.214 1.00 0.00 WT1 H ATOM 15168 H2 TIP3 4704 41.882 72.697 7.424 1.00 0.00 WT1 H ATOM 15169 OH2 TIP3 4705 68.761 83.607 20.771 1.00 0.00 WT1 O ATOM 15170 H1 TIP3 4705 68.157 83.315 21.454 1.00 0.00 WT1 H ATOM 15171 H2 TIP3 4705 68.231 83.626 19.975 1.00 0.00 WT1 H ATOM 15172 OH2 TIP3 4706 42.239 8.650 59.837 1.00 0.00 WT1 O ATOM 15173 H1 TIP3 4706 41.843 9.499 59.641 1.00 0.00 WT1 H ATOM 15174 H2 TIP3 4706 43.076 8.865 60.250 1.00 0.00 WT1 H ATOM 15175 OH2 TIP3 4707 59.668 58.652 25.656 1.00 0.00 WT1 O ATOM 15176 H1 TIP3 4707 58.997 58.335 25.051 1.00 0.00 WT1 H ATOM 15177 H2 TIP3 4707 59.340 58.415 26.524 1.00 0.00 WT1 H ATOM 15178 OH2 TIP3 4708 51.156 39.137 26.649 1.00 0.00 WT1 O ATOM 15179 H1 TIP3 4708 51.431 38.319 27.062 1.00 0.00 WT1 H ATOM 15180 H2 TIP3 4708 51.257 38.978 25.710 1.00 0.00 WT1 H ATOM 15181 OH2 TIP3 4709 36.668 29.431 56.330 1.00 0.00 WT1 O ATOM 15182 H1 TIP3 4709 36.300 30.218 56.731 1.00 0.00 WT1 H ATOM 15183 H2 TIP3 4709 37.285 29.759 55.677 1.00 0.00 WT1 H ATOM 15184 OH2 TIP3 4710 60.289 25.395 28.053 1.00 0.00 WT1 O ATOM 15185 H1 TIP3 4710 59.994 26.105 28.622 1.00 0.00 WT1 H ATOM 15186 H2 TIP3 4710 59.909 25.599 27.198 1.00 0.00 WT1 H ATOM 15187 OH2 TIP3 4712 25.089 38.136 24.564 1.00 0.00 WT1 O ATOM 15188 H1 TIP3 4712 25.509 38.994 24.498 1.00 0.00 WT1 H ATOM 15189 H2 TIP3 4712 24.654 38.147 25.417 1.00 0.00 WT1 H ATOM 15190 OH2 TIP3 4713 54.424 32.952 15.102 1.00 0.00 WT1 O ATOM 15191 H1 TIP3 4713 53.484 32.887 15.270 1.00 0.00 WT1 H ATOM 15192 H2 TIP3 4713 54.827 32.403 15.775 1.00 0.00 WT1 H ATOM 15193 OH2 TIP3 4717 64.272 40.122 -14.553 1.00 0.00 WT1 O ATOM 15194 H1 TIP3 4717 63.564 40.381 -15.142 1.00 0.00 WT1 H ATOM 15195 H2 TIP3 4717 63.863 40.081 -13.689 1.00 0.00 WT1 H ATOM 15196 OH2 TIP3 4719 67.000 2.495 39.990 1.00 0.00 WT1 O ATOM 15197 H1 TIP3 4719 66.594 2.425 39.126 1.00 0.00 WT1 H ATOM 15198 H2 TIP3 4719 67.931 2.339 39.831 1.00 0.00 WT1 H ATOM 15199 OH2 TIP3 4721 27.751 35.878 33.470 1.00 0.00 WT1 O ATOM 15200 H1 TIP3 4721 27.279 36.113 34.269 1.00 0.00 WT1 H ATOM 15201 H2 TIP3 4721 28.106 36.707 33.149 1.00 0.00 WT1 H ATOM 15202 OH2 TIP3 4722 52.200 48.123 57.607 1.00 0.00 WT1 O ATOM 15203 H1 TIP3 4722 52.703 48.914 57.412 1.00 0.00 WT1 H ATOM 15204 H2 TIP3 4722 52.478 47.491 56.944 1.00 0.00 WT1 H ATOM 15205 OH2 TIP3 4723 69.741 57.908 31.138 1.00 0.00 WT1 O ATOM 15206 H1 TIP3 4723 69.217 58.612 30.755 1.00 0.00 WT1 H ATOM 15207 H2 TIP3 4723 69.492 57.900 32.063 1.00 0.00 WT1 H ATOM 15208 OH2 TIP3 4724 58.998 42.149 35.396 1.00 0.00 WT1 O ATOM 15209 H1 TIP3 4724 59.742 41.664 35.753 1.00 0.00 WT1 H ATOM 15210 H2 TIP3 4724 59.151 43.055 35.663 1.00 0.00 WT1 H ATOM 15211 OH2 TIP3 4725 49.780 79.499 54.781 1.00 0.00 WT1 O ATOM 15212 H1 TIP3 4725 50.230 79.805 55.568 1.00 0.00 WT1 H ATOM 15213 H2 TIP3 4725 50.361 79.744 54.062 1.00 0.00 WT1 H ATOM 15214 OH2 TIP3 4726 68.858 63.392 -9.321 1.00 0.00 WT1 O ATOM 15215 H1 TIP3 4726 68.161 64.004 -9.556 1.00 0.00 WT1 H ATOM 15216 H2 TIP3 4726 68.986 63.523 -8.382 1.00 0.00 WT1 H ATOM 15217 OH2 TIP3 4727 27.458 30.314 36.416 1.00 0.00 WT1 O ATOM 15218 H1 TIP3 4727 27.300 31.236 36.614 1.00 0.00 WT1 H ATOM 15219 H2 TIP3 4727 26.858 29.838 36.990 1.00 0.00 WT1 H ATOM 15220 OH2 TIP3 4729 69.326 22.808 16.722 1.00 0.00 WT1 O ATOM 15221 H1 TIP3 4729 69.045 21.955 17.052 1.00 0.00 WT1 H ATOM 15222 H2 TIP3 4729 68.828 23.441 17.239 1.00 0.00 WT1 H ATOM 15223 OH2 TIP3 4732 78.130 92.080 -19.605 1.00 0.00 WT1 O ATOM 15224 H1 TIP3 4732 78.177 93.036 -19.594 1.00 0.00 WT1 H ATOM 15225 H2 TIP3 4732 78.995 91.794 -19.311 1.00 0.00 WT1 H ATOM 15226 OH2 TIP3 4733 74.401 67.148 35.144 1.00 0.00 WT1 O ATOM 15227 H1 TIP3 4733 74.304 67.198 34.193 1.00 0.00 WT1 H ATOM 15228 H2 TIP3 4733 73.607 67.558 35.487 1.00 0.00 WT1 H ATOM 15229 OH2 TIP3 4736 30.972 63.964 19.977 1.00 0.00 WT1 O ATOM 15230 H1 TIP3 4736 31.810 63.534 19.808 1.00 0.00 WT1 H ATOM 15231 H2 TIP3 4736 30.389 63.630 19.296 1.00 0.00 WT1 H ATOM 15232 OH2 TIP3 4737 58.251 49.979 34.003 1.00 0.00 WT1 O ATOM 15233 H1 TIP3 4737 57.418 50.395 33.779 1.00 0.00 WT1 H ATOM 15234 H2 TIP3 4737 58.845 50.239 33.299 1.00 0.00 WT1 H ATOM 15235 OH2 TIP3 4739 79.654 58.279 59.265 1.00 0.00 WT1 O ATOM 15236 H1 TIP3 4739 79.571 59.011 58.654 1.00 0.00 WT1 H ATOM 15237 H2 TIP3 4739 78.908 58.375 59.858 1.00 0.00 WT1 H ATOM 15238 OH2 TIP3 4743 47.483 48.592 5.667 1.00 0.00 WT1 O ATOM 15239 H1 TIP3 4743 47.983 49.085 6.318 1.00 0.00 WT1 H ATOM 15240 H2 TIP3 4743 47.935 48.759 4.840 1.00 0.00 WT1 H ATOM 15241 OH2 TIP3 4746 28.574 47.082 -14.282 1.00 0.00 WT1 O ATOM 15242 H1 TIP3 4746 28.459 47.888 -13.779 1.00 0.00 WT1 H ATOM 15243 H2 TIP3 4746 29.295 46.627 -13.847 1.00 0.00 WT1 H ATOM 15244 OH2 TIP3 4747 52.846 25.884 1.266 1.00 0.00 WT1 O ATOM 15245 H1 TIP3 4747 52.758 25.428 2.102 1.00 0.00 WT1 H ATOM 15246 H2 TIP3 4747 53.195 26.745 1.498 1.00 0.00 WT1 H ATOM 15247 OH2 TIP3 4748 29.537 32.593 21.306 1.00 0.00 WT1 O ATOM 15248 H1 TIP3 4748 29.961 33.369 21.672 1.00 0.00 WT1 H ATOM 15249 H2 TIP3 4748 29.439 32.789 20.374 1.00 0.00 WT1 H ATOM 15250 OH2 TIP3 4749 44.120 29.800 42.781 1.00 0.00 WT1 O ATOM 15251 H1 TIP3 4749 44.332 29.651 41.860 1.00 0.00 WT1 H ATOM 15252 H2 TIP3 4749 43.494 30.525 42.770 1.00 0.00 WT1 H ATOM 15253 OH2 TIP3 4750 45.072 61.409 49.865 1.00 0.00 WT1 O ATOM 15254 H1 TIP3 4750 44.530 61.113 49.134 1.00 0.00 WT1 H ATOM 15255 H2 TIP3 4750 45.855 61.773 49.451 1.00 0.00 WT1 H ATOM 15256 OH2 TIP3 4751 35.807 44.507 24.351 1.00 0.00 WT1 O ATOM 15257 H1 TIP3 4751 36.313 44.143 25.077 1.00 0.00 WT1 H ATOM 15258 H2 TIP3 4751 35.065 44.943 24.770 1.00 0.00 WT1 H ATOM 15259 OH2 TIP3 4752 52.216 41.003 48.939 1.00 0.00 WT1 O ATOM 15260 H1 TIP3 4752 51.613 41.615 48.517 1.00 0.00 WT1 H ATOM 15261 H2 TIP3 4752 53.011 41.044 48.407 1.00 0.00 WT1 H ATOM 15262 OH2 TIP3 4754 88.957 25.035 -5.204 1.00 0.00 WT1 O ATOM 15263 H1 TIP3 4754 89.585 25.740 -5.046 1.00 0.00 WT1 H ATOM 15264 H2 TIP3 4754 89.366 24.496 -5.881 1.00 0.00 WT1 H ATOM 15265 OH2 TIP3 4759 86.202 18.430 62.431 1.00 0.00 WT1 O ATOM 15266 H1 TIP3 4759 85.707 17.650 62.682 1.00 0.00 WT1 H ATOM 15267 H2 TIP3 4759 85.743 19.153 62.859 1.00 0.00 WT1 H ATOM 15268 OH2 TIP3 4760 27.271 21.401 40.152 1.00 0.00 WT1 O ATOM 15269 H1 TIP3 4760 27.605 20.966 40.938 1.00 0.00 WT1 H ATOM 15270 H2 TIP3 4760 27.605 22.296 40.213 1.00 0.00 WT1 H ATOM 15271 OH2 TIP3 4761 82.913 43.180 42.532 1.00 0.00 WT1 O ATOM 15272 H1 TIP3 4761 82.220 42.948 43.150 1.00 0.00 WT1 H ATOM 15273 H2 TIP3 4761 82.539 43.886 42.005 1.00 0.00 WT1 H ATOM 15274 OH2 TIP3 4765 73.262 27.851 38.242 1.00 0.00 WT1 O ATOM 15275 H1 TIP3 4765 73.895 28.476 37.887 1.00 0.00 WT1 H ATOM 15276 H2 TIP3 4765 72.429 28.103 37.844 1.00 0.00 WT1 H ATOM 15277 OH2 TIP3 4767 63.218 66.104 66.128 1.00 0.00 WT1 O ATOM 15278 H1 TIP3 4767 63.764 66.607 65.524 1.00 0.00 WT1 H ATOM 15279 H2 TIP3 4767 63.382 66.497 66.985 1.00 0.00 WT1 H ATOM 15280 OH2 TIP3 4768 25.765 20.180 -6.705 1.00 0.00 WT1 O ATOM 15281 H1 TIP3 4768 26.323 20.276 -5.933 1.00 0.00 WT1 H ATOM 15282 H2 TIP3 4768 24.969 19.763 -6.375 1.00 0.00 WT1 H ATOM 15283 OH2 TIP3 4769 23.482 89.150 54.590 1.00 0.00 WT1 O ATOM 15284 H1 TIP3 4769 23.325 90.093 54.545 1.00 0.00 WT1 H ATOM 15285 H2 TIP3 4769 24.188 88.993 53.963 1.00 0.00 WT1 H ATOM 15286 OH2 TIP3 4770 83.224 80.987 60.624 1.00 0.00 WT1 O ATOM 15287 H1 TIP3 4770 83.652 81.204 59.795 1.00 0.00 WT1 H ATOM 15288 H2 TIP3 4770 82.350 81.369 60.549 1.00 0.00 WT1 H ATOM 15289 OH2 TIP3 4771 34.397 44.639 16.802 1.00 0.00 WT1 O ATOM 15290 H1 TIP3 4771 34.079 43.750 16.961 1.00 0.00 WT1 H ATOM 15291 H2 TIP3 4771 34.432 45.040 17.670 1.00 0.00 WT1 H ATOM 15292 OH2 TIP3 4772 88.365 79.206 44.825 1.00 0.00 WT1 O ATOM 15293 H1 TIP3 4772 87.851 78.649 45.410 1.00 0.00 WT1 H ATOM 15294 H2 TIP3 4772 89.020 78.618 44.449 1.00 0.00 WT1 H ATOM 15295 OH2 TIP3 4773 28.109 3.371 17.274 1.00 0.00 WT1 O ATOM 15296 H1 TIP3 4773 27.231 3.706 17.091 1.00 0.00 WT1 H ATOM 15297 H2 TIP3 4773 28.675 3.828 16.651 1.00 0.00 WT1 H ATOM 15298 OH2 TIP3 4774 71.368 58.659 62.015 1.00 0.00 WT1 O ATOM 15299 H1 TIP3 4774 71.304 58.446 62.946 1.00 0.00 WT1 H ATOM 15300 H2 TIP3 4774 70.745 59.375 61.890 1.00 0.00 WT1 H ATOM 15301 OH2 TIP3 4776 51.543 32.545 17.910 1.00 0.00 WT1 O ATOM 15302 H1 TIP3 4776 52.290 32.900 18.393 1.00 0.00 WT1 H ATOM 15303 H2 TIP3 4776 50.790 32.713 18.475 1.00 0.00 WT1 H ATOM 15304 OH2 TIP3 4777 67.818 84.637 37.041 1.00 0.00 WT1 O ATOM 15305 H1 TIP3 4777 67.338 84.320 36.276 1.00 0.00 WT1 H ATOM 15306 H2 TIP3 4777 67.919 83.865 37.598 1.00 0.00 WT1 H ATOM 15307 OH2 TIP3 4779 51.474 88.902 36.673 1.00 0.00 WT1 O ATOM 15308 H1 TIP3 4779 50.930 88.246 37.108 1.00 0.00 WT1 H ATOM 15309 H2 TIP3 4779 51.218 89.732 37.076 1.00 0.00 WT1 H ATOM 15310 OH2 TIP3 4783 76.471 46.430 46.773 1.00 0.00 WT1 O ATOM 15311 H1 TIP3 4783 75.828 47.137 46.722 1.00 0.00 WT1 H ATOM 15312 H2 TIP3 4783 75.957 45.629 46.671 1.00 0.00 WT1 H ATOM 15313 OH2 TIP3 4786 40.686 86.313 35.807 1.00 0.00 WT1 O ATOM 15314 H1 TIP3 4786 40.997 85.987 36.651 1.00 0.00 WT1 H ATOM 15315 H2 TIP3 4786 41.169 85.801 35.158 1.00 0.00 WT1 H ATOM 15316 OH2 TIP3 4787 26.252 32.406 -6.319 1.00 0.00 WT1 O ATOM 15317 H1 TIP3 4787 25.989 33.322 -6.416 1.00 0.00 WT1 H ATOM 15318 H2 TIP3 4787 25.466 31.962 -6.003 1.00 0.00 WT1 H ATOM 15319 OH2 TIP3 4788 85.798 26.376 36.197 1.00 0.00 WT1 O ATOM 15320 H1 TIP3 4788 85.881 25.550 36.674 1.00 0.00 WT1 H ATOM 15321 H2 TIP3 4788 86.670 26.531 35.833 1.00 0.00 WT1 H ATOM 15322 OH2 TIP3 4790 33.701 2.858 9.535 1.00 0.00 WT1 O ATOM 15323 H1 TIP3 4790 33.256 3.705 9.495 1.00 0.00 WT1 H ATOM 15324 H2 TIP3 4790 32.995 2.221 9.641 1.00 0.00 WT1 H ATOM 15325 OH2 TIP3 4791 62.755 25.239 -8.204 1.00 0.00 WT1 O ATOM 15326 H1 TIP3 4791 61.858 25.342 -7.887 1.00 0.00 WT1 H ATOM 15327 H2 TIP3 4791 63.010 24.361 -7.921 1.00 0.00 WT1 H ATOM 15328 OH2 TIP3 4793 76.633 59.789 22.879 1.00 0.00 WT1 O ATOM 15329 H1 TIP3 4793 76.469 60.176 22.020 1.00 0.00 WT1 H ATOM 15330 H2 TIP3 4793 75.762 59.588 23.222 1.00 0.00 WT1 H ATOM 15331 OH2 TIP3 4794 53.181 95.451 0.812 1.00 0.00 WT1 O ATOM 15332 H1 TIP3 4794 53.647 95.117 1.578 1.00 0.00 WT1 H ATOM 15333 H2 TIP3 4794 52.256 95.400 1.052 1.00 0.00 WT1 H ATOM 15334 OH2 TIP3 4796 54.528 50.756 18.359 1.00 0.00 WT1 O ATOM 15335 H1 TIP3 4796 55.241 50.119 18.396 1.00 0.00 WT1 H ATOM 15336 H2 TIP3 4796 53.921 50.477 19.044 1.00 0.00 WT1 H ATOM 15337 OH2 TIP3 4797 45.030 49.236 -9.390 1.00 0.00 WT1 O ATOM 15338 H1 TIP3 4797 44.458 49.151 -8.628 1.00 0.00 WT1 H ATOM 15339 H2 TIP3 4797 45.005 50.168 -9.607 1.00 0.00 WT1 H ATOM 15340 OH2 TIP3 4798 27.406 2.128 22.878 1.00 0.00 WT1 O ATOM 15341 H1 TIP3 4798 28.185 1.586 22.999 1.00 0.00 WT1 H ATOM 15342 H2 TIP3 4798 26.989 1.778 22.091 1.00 0.00 WT1 H ATOM 15343 OH2 TIP3 4799 64.825 74.622 30.726 1.00 0.00 WT1 O ATOM 15344 H1 TIP3 4799 64.527 74.245 29.898 1.00 0.00 WT1 H ATOM 15345 H2 TIP3 4799 64.437 74.062 31.398 1.00 0.00 WT1 H ATOM 15346 OH2 TIP3 4800 81.169 14.624 56.334 1.00 0.00 WT1 O ATOM 15347 H1 TIP3 4800 81.318 15.360 56.928 1.00 0.00 WT1 H ATOM 15348 H2 TIP3 4800 80.247 14.398 56.458 1.00 0.00 WT1 H ATOM 15349 OH2 TIP3 4801 59.845 17.816 11.633 1.00 0.00 WT1 O ATOM 15350 H1 TIP3 4801 60.355 17.006 11.619 1.00 0.00 WT1 H ATOM 15351 H2 TIP3 4801 59.336 17.794 10.823 1.00 0.00 WT1 H ATOM 15352 OH2 TIP3 4804 85.400 29.658 10.558 1.00 0.00 WT1 O ATOM 15353 H1 TIP3 4804 85.379 30.336 9.882 1.00 0.00 WT1 H ATOM 15354 H2 TIP3 4804 85.898 28.941 10.164 1.00 0.00 WT1 H ATOM 15355 OH2 TIP3 4805 35.662 89.311 41.085 1.00 0.00 WT1 O ATOM 15356 H1 TIP3 4805 35.207 89.684 41.840 1.00 0.00 WT1 H ATOM 15357 H2 TIP3 4805 36.363 89.934 40.895 1.00 0.00 WT1 H ATOM 15358 OH2 TIP3 4806 52.722 2.094 -10.685 1.00 0.00 WT1 O ATOM 15359 H1 TIP3 4806 53.331 1.921 -11.403 1.00 0.00 WT1 H ATOM 15360 H2 TIP3 4806 52.512 1.228 -10.335 1.00 0.00 WT1 H ATOM 15361 OH2 TIP3 4807 77.740 34.084 25.849 1.00 0.00 WT1 O ATOM 15362 H1 TIP3 4807 77.847 34.168 24.902 1.00 0.00 WT1 H ATOM 15363 H2 TIP3 4807 78.252 34.806 26.214 1.00 0.00 WT1 H ATOM 15364 OH2 TIP3 4808 86.364 91.903 38.273 1.00 0.00 WT1 O ATOM 15365 H1 TIP3 4808 86.941 92.160 37.554 1.00 0.00 WT1 H ATOM 15366 H2 TIP3 4808 86.913 91.361 38.840 1.00 0.00 WT1 H ATOM 15367 OH2 TIP3 4809 20.921 42.251 30.096 1.00 0.00 WT1 O ATOM 15368 H1 TIP3 4809 20.504 41.595 30.656 1.00 0.00 WT1 H ATOM 15369 H2 TIP3 4809 20.646 43.090 30.464 1.00 0.00 WT1 H ATOM 15370 OH2 TIP3 4812 63.347 14.269 43.824 1.00 0.00 WT1 O ATOM 15371 H1 TIP3 4812 62.882 13.439 43.721 1.00 0.00 WT1 H ATOM 15372 H2 TIP3 4812 62.705 14.936 43.578 1.00 0.00 WT1 H ATOM 15373 OH2 TIP3 4813 30.509 40.243 -16.315 1.00 0.00 WT1 O ATOM 15374 H1 TIP3 4813 31.392 39.980 -16.573 1.00 0.00 WT1 H ATOM 15375 H2 TIP3 4813 30.645 40.924 -15.656 1.00 0.00 WT1 H ATOM 15376 OH2 TIP3 4814 25.598 32.405 2.040 1.00 0.00 WT1 O ATOM 15377 H1 TIP3 4814 25.499 32.538 2.982 1.00 0.00 WT1 H ATOM 15378 H2 TIP3 4814 26.496 32.678 1.852 1.00 0.00 WT1 H ATOM 15379 OH2 TIP3 4815 47.303 81.586 19.523 1.00 0.00 WT1 O ATOM 15380 H1 TIP3 4815 47.639 80.792 19.938 1.00 0.00 WT1 H ATOM 15381 H2 TIP3 4815 46.415 81.356 19.248 1.00 0.00 WT1 H ATOM 15382 OH2 TIP3 4816 87.177 8.500 44.579 1.00 0.00 WT1 O ATOM 15383 H1 TIP3 4816 86.712 8.187 45.355 1.00 0.00 WT1 H ATOM 15384 H2 TIP3 4816 87.271 7.723 44.028 1.00 0.00 WT1 H ATOM 15385 OH2 TIP3 4820 42.034 3.977 -19.243 1.00 0.00 WT1 O ATOM 15386 H1 TIP3 4820 41.692 3.235 -18.744 1.00 0.00 WT1 H ATOM 15387 H2 TIP3 4820 42.228 3.617 -20.108 1.00 0.00 WT1 H ATOM 15388 OH2 TIP3 4821 87.416 79.401 -6.560 1.00 0.00 WT1 O ATOM 15389 H1 TIP3 4821 86.694 78.973 -6.099 1.00 0.00 WT1 H ATOM 15390 H2 TIP3 4821 87.349 79.082 -7.460 1.00 0.00 WT1 H ATOM 15391 OH2 TIP3 4822 45.277 38.673 45.738 1.00 0.00 WT1 O ATOM 15392 H1 TIP3 4822 44.786 37.950 45.347 1.00 0.00 WT1 H ATOM 15393 H2 TIP3 4822 44.663 39.407 45.739 1.00 0.00 WT1 H ATOM 15394 OH2 TIP3 4824 83.424 51.044 4.733 1.00 0.00 WT1 O ATOM 15395 H1 TIP3 4824 84.040 51.489 4.151 1.00 0.00 WT1 H ATOM 15396 H2 TIP3 4824 82.762 51.706 4.933 1.00 0.00 WT1 H ATOM 15397 OH2 TIP3 4825 32.997 44.802 60.798 1.00 0.00 WT1 O ATOM 15398 H1 TIP3 4825 32.751 44.277 60.037 1.00 0.00 WT1 H ATOM 15399 H2 TIP3 4825 33.309 45.628 60.429 1.00 0.00 WT1 H ATOM 15400 OH2 TIP3 4829 76.837 11.090 62.714 1.00 0.00 WT1 O ATOM 15401 H1 TIP3 4829 76.706 10.316 62.167 1.00 0.00 WT1 H ATOM 15402 H2 TIP3 4829 75.982 11.521 62.728 1.00 0.00 WT1 H ATOM 15403 OH2 TIP3 4832 62.131 91.685 11.822 1.00 0.00 WT1 O ATOM 15404 H1 TIP3 4832 62.590 91.731 12.661 1.00 0.00 WT1 H ATOM 15405 H2 TIP3 4832 62.805 91.874 11.169 1.00 0.00 WT1 H ATOM 15406 OH2 TIP3 4833 52.417 90.590 -9.456 1.00 0.00 WT1 O ATOM 15407 H1 TIP3 4833 52.503 90.400 -8.522 1.00 0.00 WT1 H ATOM 15408 H2 TIP3 4833 51.582 90.194 -9.706 1.00 0.00 WT1 H ATOM 15409 OH2 TIP3 4834 40.961 12.305 2.202 1.00 0.00 WT1 O ATOM 15410 H1 TIP3 4834 40.014 12.262 2.065 1.00 0.00 WT1 H ATOM 15411 H2 TIP3 4834 41.066 12.841 2.988 1.00 0.00 WT1 H ATOM 15412 OH2 TIP3 4835 75.259 9.403 35.921 1.00 0.00 WT1 O ATOM 15413 H1 TIP3 4835 75.678 10.084 35.395 1.00 0.00 WT1 H ATOM 15414 H2 TIP3 4835 74.336 9.654 35.949 1.00 0.00 WT1 H ATOM 15415 OH2 TIP3 4836 61.735 64.919 -13.683 1.00 0.00 WT1 O ATOM 15416 H1 TIP3 4836 61.790 64.158 -14.262 1.00 0.00 WT1 H ATOM 15417 H2 TIP3 4836 60.797 65.090 -13.600 1.00 0.00 WT1 H ATOM 15418 OH2 TIP3 4837 38.733 71.635 14.374 1.00 0.00 WT1 O ATOM 15419 H1 TIP3 4837 38.287 71.832 13.550 1.00 0.00 WT1 H ATOM 15420 H2 TIP3 4837 39.265 72.411 14.551 1.00 0.00 WT1 H ATOM 15421 OH2 TIP3 4838 45.530 6.793 35.823 1.00 0.00 WT1 O ATOM 15422 H1 TIP3 4838 44.615 6.523 35.892 1.00 0.00 WT1 H ATOM 15423 H2 TIP3 4838 45.922 6.162 35.219 1.00 0.00 WT1 H ATOM 15424 OH2 TIP3 4839 48.558 17.606 -11.452 1.00 0.00 WT1 O ATOM 15425 H1 TIP3 4839 47.951 17.747 -12.179 1.00 0.00 WT1 H ATOM 15426 H2 TIP3 4839 49.397 17.936 -11.773 1.00 0.00 WT1 H ATOM 15427 OH2 TIP3 4841 48.612 14.469 -12.733 1.00 0.00 WT1 O ATOM 15428 H1 TIP3 4841 48.708 15.039 -13.496 1.00 0.00 WT1 H ATOM 15429 H2 TIP3 4841 48.198 15.022 -12.071 1.00 0.00 WT1 H ATOM 15430 OH2 TIP3 4844 44.514 82.047 46.340 1.00 0.00 WT1 O ATOM 15431 H1 TIP3 4844 44.063 81.794 45.534 1.00 0.00 WT1 H ATOM 15432 H2 TIP3 4844 43.900 82.630 46.786 1.00 0.00 WT1 H ATOM 15433 OH2 TIP3 4845 57.956 86.269 1.230 1.00 0.00 WT1 O ATOM 15434 H1 TIP3 4845 57.444 87.031 1.500 1.00 0.00 WT1 H ATOM 15435 H2 TIP3 4845 58.166 85.819 2.048 1.00 0.00 WT1 H ATOM 15436 OH2 TIP3 4847 50.091 83.028 50.631 1.00 0.00 WT1 O ATOM 15437 H1 TIP3 4847 50.119 83.174 49.685 1.00 0.00 WT1 H ATOM 15438 H2 TIP3 4847 49.191 82.754 50.806 1.00 0.00 WT1 H ATOM 15439 OH2 TIP3 4849 85.502 49.045 64.389 1.00 0.00 WT1 O ATOM 15440 H1 TIP3 4849 85.070 49.068 65.243 1.00 0.00 WT1 H ATOM 15441 H2 TIP3 4849 85.849 49.929 64.271 1.00 0.00 WT1 H ATOM 15442 OH2 TIP3 4850 32.587 33.083 17.411 1.00 0.00 WT1 O ATOM 15443 H1 TIP3 4850 33.170 33.584 17.981 1.00 0.00 WT1 H ATOM 15444 H2 TIP3 4850 32.767 32.168 17.628 1.00 0.00 WT1 H ATOM 15445 OH2 TIP3 4851 51.188 33.507 56.544 1.00 0.00 WT1 O ATOM 15446 H1 TIP3 4851 50.777 33.906 55.777 1.00 0.00 WT1 H ATOM 15447 H2 TIP3 4851 51.898 34.105 56.775 1.00 0.00 WT1 H ATOM 15448 OH2 TIP3 4852 57.753 81.620 -6.295 1.00 0.00 WT1 O ATOM 15449 H1 TIP3 4852 57.150 80.968 -5.937 1.00 0.00 WT1 H ATOM 15450 H2 TIP3 4852 57.358 82.462 -6.070 1.00 0.00 WT1 H ATOM 15451 OH2 TIP3 4853 41.829 42.478 64.969 1.00 0.00 WT1 O ATOM 15452 H1 TIP3 4853 41.902 43.432 64.942 1.00 0.00 WT1 H ATOM 15453 H2 TIP3 4853 42.589 42.195 65.478 1.00 0.00 WT1 H ATOM 15454 OH2 TIP3 4854 74.683 20.978 -6.382 1.00 0.00 WT1 O ATOM 15455 H1 TIP3 4854 75.158 21.079 -5.557 1.00 0.00 WT1 H ATOM 15456 H2 TIP3 4854 73.801 20.714 -6.121 1.00 0.00 WT1 H ATOM 15457 OH2 TIP3 4855 66.934 29.226 18.385 1.00 0.00 WT1 O ATOM 15458 H1 TIP3 4855 66.173 29.790 18.250 1.00 0.00 WT1 H ATOM 15459 H2 TIP3 4855 66.889 28.980 19.309 1.00 0.00 WT1 H ATOM 15460 OH2 TIP3 4856 86.347 24.323 -4.434 1.00 0.00 WT1 O ATOM 15461 H1 TIP3 4856 85.923 25.097 -4.806 1.00 0.00 WT1 H ATOM 15462 H2 TIP3 4856 87.284 24.498 -4.522 1.00 0.00 WT1 H ATOM 15463 OH2 TIP3 4857 58.306 16.197 21.106 1.00 0.00 WT1 O ATOM 15464 H1 TIP3 4857 57.965 16.277 20.216 1.00 0.00 WT1 H ATOM 15465 H2 TIP3 4857 58.789 17.010 21.252 1.00 0.00 WT1 H ATOM 15466 OH2 TIP3 4858 50.052 4.593 16.878 1.00 0.00 WT1 O ATOM 15467 H1 TIP3 4858 49.294 4.029 17.029 1.00 0.00 WT1 H ATOM 15468 H2 TIP3 4858 49.740 5.475 17.082 1.00 0.00 WT1 H ATOM 15469 OH2 TIP3 4859 73.873 7.580 5.315 1.00 0.00 WT1 O ATOM 15470 H1 TIP3 4859 73.505 7.050 6.021 1.00 0.00 WT1 H ATOM 15471 H2 TIP3 4859 74.706 7.156 5.106 1.00 0.00 WT1 H ATOM 15472 OH2 TIP3 4861 77.771 31.912 62.652 1.00 0.00 WT1 O ATOM 15473 H1 TIP3 4861 77.551 32.355 61.832 1.00 0.00 WT1 H ATOM 15474 H2 TIP3 4861 77.275 31.094 62.624 1.00 0.00 WT1 H ATOM 15475 OH2 TIP3 4862 55.945 59.830 -4.638 1.00 0.00 WT1 O ATOM 15476 H1 TIP3 4862 55.636 60.600 -4.161 1.00 0.00 WT1 H ATOM 15477 H2 TIP3 4862 56.249 59.232 -3.956 1.00 0.00 WT1 H ATOM 15478 OH2 TIP3 4863 30.834 18.068 21.107 1.00 0.00 WT1 O ATOM 15479 H1 TIP3 4863 31.225 18.854 21.490 1.00 0.00 WT1 H ATOM 15480 H2 TIP3 4863 29.906 18.126 21.334 1.00 0.00 WT1 H ATOM 15481 OH2 TIP3 4864 32.186 27.229 20.881 1.00 0.00 WT1 O ATOM 15482 H1 TIP3 4864 31.357 27.705 20.825 1.00 0.00 WT1 H ATOM 15483 H2 TIP3 4864 32.351 26.930 19.986 1.00 0.00 WT1 H ATOM 15484 OH2 TIP3 4866 89.836 81.991 33.907 1.00 0.00 WT1 O ATOM 15485 H1 TIP3 4866 89.432 82.215 33.068 1.00 0.00 WT1 H ATOM 15486 H2 TIP3 4866 89.345 81.229 34.214 1.00 0.00 WT1 H ATOM 15487 OH2 TIP3 4869 74.245 27.146 21.201 1.00 0.00 WT1 O ATOM 15488 H1 TIP3 4869 74.957 26.837 21.762 1.00 0.00 WT1 H ATOM 15489 H2 TIP3 4869 74.643 27.232 20.334 1.00 0.00 WT1 H ATOM 15490 OH2 TIP3 4870 68.477 15.242 -1.991 1.00 0.00 WT1 O ATOM 15491 H1 TIP3 4870 68.160 14.351 -1.847 1.00 0.00 WT1 H ATOM 15492 H2 TIP3 4870 68.352 15.681 -1.150 1.00 0.00 WT1 H ATOM 15493 OH2 TIP3 4872 60.073 16.045 27.723 1.00 0.00 WT1 O ATOM 15494 H1 TIP3 4872 59.324 16.597 27.949 1.00 0.00 WT1 H ATOM 15495 H2 TIP3 4872 60.347 16.353 26.860 1.00 0.00 WT1 H ATOM 15496 OH2 TIP3 4873 78.926 46.200 27.896 1.00 0.00 WT1 O ATOM 15497 H1 TIP3 4873 78.498 45.346 27.959 1.00 0.00 WT1 H ATOM 15498 H2 TIP3 4873 79.854 45.996 27.779 1.00 0.00 WT1 H ATOM 15499 OH2 TIP3 4874 24.033 6.834 -19.056 1.00 0.00 WT1 O ATOM 15500 H1 TIP3 4874 24.171 6.073 -18.492 1.00 0.00 WT1 H ATOM 15501 H2 TIP3 4874 24.290 6.535 -19.929 1.00 0.00 WT1 H ATOM 15502 OH2 TIP3 4875 36.297 26.335 7.185 1.00 0.00 WT1 O ATOM 15503 H1 TIP3 4875 36.455 26.728 8.043 1.00 0.00 WT1 H ATOM 15504 H2 TIP3 4875 35.806 27.001 6.703 1.00 0.00 WT1 H ATOM 15505 OH2 TIP3 4876 67.701 35.611 34.489 1.00 0.00 WT1 O ATOM 15506 H1 TIP3 4876 66.989 34.992 34.650 1.00 0.00 WT1 H ATOM 15507 H2 TIP3 4876 67.267 36.388 34.137 1.00 0.00 WT1 H ATOM 15508 OH2 TIP3 4877 21.835 5.238 -3.935 1.00 0.00 WT1 O ATOM 15509 H1 TIP3 4877 21.881 6.194 -3.915 1.00 0.00 WT1 H ATOM 15510 H2 TIP3 4877 21.387 5.037 -4.756 1.00 0.00 WT1 H ATOM 15511 OH2 TIP3 4879 54.537 2.977 -6.773 1.00 0.00 WT1 O ATOM 15512 H1 TIP3 4879 54.510 3.927 -6.883 1.00 0.00 WT1 H ATOM 15513 H2 TIP3 4879 53.990 2.638 -7.482 1.00 0.00 WT1 H ATOM 15514 OH2 TIP3 4880 84.834 88.235 49.989 1.00 0.00 WT1 O ATOM 15515 H1 TIP3 4880 84.004 88.702 49.894 1.00 0.00 WT1 H ATOM 15516 H2 TIP3 4880 85.321 88.742 50.638 1.00 0.00 WT1 H ATOM 15517 OH2 TIP3 4881 41.954 14.729 22.593 1.00 0.00 WT1 O ATOM 15518 H1 TIP3 4881 41.872 15.459 21.979 1.00 0.00 WT1 H ATOM 15519 H2 TIP3 4881 42.859 14.433 22.494 1.00 0.00 WT1 H ATOM 15520 OH2 TIP3 4882 88.873 3.731 34.018 1.00 0.00 WT1 O ATOM 15521 H1 TIP3 4882 89.109 3.553 33.107 1.00 0.00 WT1 H ATOM 15522 H2 TIP3 4882 88.677 4.668 34.036 1.00 0.00 WT1 H ATOM 15523 OH2 TIP3 4884 55.350 93.626 32.045 1.00 0.00 WT1 O ATOM 15524 H1 TIP3 4884 55.372 92.787 32.505 1.00 0.00 WT1 H ATOM 15525 H2 TIP3 4884 54.917 93.433 31.214 1.00 0.00 WT1 H ATOM 15526 OH2 TIP3 4887 30.661 7.952 55.886 1.00 0.00 WT1 O ATOM 15527 H1 TIP3 4887 30.503 8.379 55.044 1.00 0.00 WT1 H ATOM 15528 H2 TIP3 4887 31.291 7.259 55.690 1.00 0.00 WT1 H ATOM 15529 OH2 TIP3 4888 65.231 75.553 61.841 1.00 0.00 WT1 O ATOM 15530 H1 TIP3 4888 65.180 74.743 61.334 1.00 0.00 WT1 H ATOM 15531 H2 TIP3 4888 65.491 76.219 61.205 1.00 0.00 WT1 H ATOM 15532 OH2 TIP3 4890 47.150 9.498 55.579 1.00 0.00 WT1 O ATOM 15533 H1 TIP3 4890 47.370 9.404 54.652 1.00 0.00 WT1 H ATOM 15534 H2 TIP3 4890 46.223 9.263 55.630 1.00 0.00 WT1 H ATOM 15535 OH2 TIP3 4891 45.308 32.065 44.811 1.00 0.00 WT1 O ATOM 15536 H1 TIP3 4891 44.930 32.716 44.220 1.00 0.00 WT1 H ATOM 15537 H2 TIP3 4891 46.242 32.273 44.831 1.00 0.00 WT1 H ATOM 15538 OH2 TIP3 4893 69.601 65.715 -11.405 1.00 0.00 WT1 O ATOM 15539 H1 TIP3 4893 69.706 65.725 -10.454 1.00 0.00 WT1 H ATOM 15540 H2 TIP3 4893 69.434 64.797 -11.619 1.00 0.00 WT1 H ATOM 15541 OH2 TIP3 4894 69.215 76.957 48.180 1.00 0.00 WT1 O ATOM 15542 H1 TIP3 4894 69.345 77.054 47.237 1.00 0.00 WT1 H ATOM 15543 H2 TIP3 4894 68.897 76.061 48.288 1.00 0.00 WT1 H ATOM 15544 OH2 TIP3 4895 48.576 32.680 57.071 1.00 0.00 WT1 O ATOM 15545 H1 TIP3 4895 47.908 33.147 57.571 1.00 0.00 WT1 H ATOM 15546 H2 TIP3 4895 49.283 33.316 56.961 1.00 0.00 WT1 H ATOM 15547 OH2 TIP3 4896 59.152 5.512 -8.816 1.00 0.00 WT1 O ATOM 15548 H1 TIP3 4896 59.750 5.135 -9.462 1.00 0.00 WT1 H ATOM 15549 H2 TIP3 4896 59.132 4.871 -8.105 1.00 0.00 WT1 H ATOM 15550 OH2 TIP3 4897 75.410 7.352 44.738 1.00 0.00 WT1 O ATOM 15551 H1 TIP3 4897 76.143 7.686 45.255 1.00 0.00 WT1 H ATOM 15552 H2 TIP3 4897 75.732 7.352 43.837 1.00 0.00 WT1 H ATOM 15553 OH2 TIP3 4898 35.158 46.921 54.156 1.00 0.00 WT1 O ATOM 15554 H1 TIP3 4898 34.383 47.289 54.581 1.00 0.00 WT1 H ATOM 15555 H2 TIP3 4898 34.967 46.974 53.220 1.00 0.00 WT1 H ATOM 15556 OH2 TIP3 4899 28.345 28.792 41.708 1.00 0.00 WT1 O ATOM 15557 H1 TIP3 4899 28.484 28.292 40.904 1.00 0.00 WT1 H ATOM 15558 H2 TIP3 4899 28.999 28.452 42.318 1.00 0.00 WT1 H ATOM 15559 OH2 TIP3 4900 47.999 68.821 4.953 1.00 0.00 WT1 O ATOM 15560 H1 TIP3 4900 48.453 68.094 5.380 1.00 0.00 WT1 H ATOM 15561 H2 TIP3 4900 48.383 69.606 5.343 1.00 0.00 WT1 H ATOM 15562 OH2 TIP3 4901 46.104 65.810 60.979 1.00 0.00 WT1 O ATOM 15563 H1 TIP3 4901 45.818 65.019 61.437 1.00 0.00 WT1 H ATOM 15564 H2 TIP3 4901 46.990 65.968 61.303 1.00 0.00 WT1 H ATOM 15565 OH2 TIP3 4902 78.583 54.986 13.657 1.00 0.00 WT1 O ATOM 15566 H1 TIP3 4902 78.548 54.721 14.576 1.00 0.00 WT1 H ATOM 15567 H2 TIP3 4902 77.669 55.126 13.412 1.00 0.00 WT1 H ATOM 15568 OH2 TIP3 4903 40.101 2.017 11.581 1.00 0.00 WT1 O ATOM 15569 H1 TIP3 4903 40.902 1.671 11.188 1.00 0.00 WT1 H ATOM 15570 H2 TIP3 4903 40.308 2.928 11.787 1.00 0.00 WT1 H ATOM 15571 OH2 TIP3 4904 36.240 72.677 4.225 1.00 0.00 WT1 O ATOM 15572 H1 TIP3 4904 36.084 71.779 4.519 1.00 0.00 WT1 H ATOM 15573 H2 TIP3 4904 35.652 73.210 4.760 1.00 0.00 WT1 H ATOM 15574 OH2 TIP3 4906 44.214 66.406 36.133 1.00 0.00 WT1 O ATOM 15575 H1 TIP3 4906 44.222 67.341 35.926 1.00 0.00 WT1 H ATOM 15576 H2 TIP3 4906 45.029 66.260 36.614 1.00 0.00 WT1 H ATOM 15577 OH2 TIP3 4908 54.425 12.267 -11.918 1.00 0.00 WT1 O ATOM 15578 H1 TIP3 4908 53.886 11.993 -12.660 1.00 0.00 WT1 H ATOM 15579 H2 TIP3 4908 53.895 12.063 -11.147 1.00 0.00 WT1 H ATOM 15580 OH2 TIP3 4909 80.884 67.327 38.293 1.00 0.00 WT1 O ATOM 15581 H1 TIP3 4909 79.993 67.676 38.315 1.00 0.00 WT1 H ATOM 15582 H2 TIP3 4909 81.341 67.875 37.655 1.00 0.00 WT1 H ATOM 15583 OH2 TIP3 4910 58.193 9.990 4.687 1.00 0.00 WT1 O ATOM 15584 H1 TIP3 4910 58.068 9.071 4.925 1.00 0.00 WT1 H ATOM 15585 H2 TIP3 4910 57.322 10.379 4.768 1.00 0.00 WT1 H ATOM 15586 OH2 TIP3 4911 64.254 33.447 63.106 1.00 0.00 WT1 O ATOM 15587 H1 TIP3 4911 64.321 33.060 63.979 1.00 0.00 WT1 H ATOM 15588 H2 TIP3 4911 63.474 33.045 62.724 1.00 0.00 WT1 H ATOM 15589 OH2 TIP3 4912 55.662 87.600 53.683 1.00 0.00 WT1 O ATOM 15590 H1 TIP3 4912 55.187 86.794 53.889 1.00 0.00 WT1 H ATOM 15591 H2 TIP3 4912 55.229 87.940 52.900 1.00 0.00 WT1 H ATOM 15592 OH2 TIP3 4913 53.482 14.047 2.393 1.00 0.00 WT1 O ATOM 15593 H1 TIP3 4913 53.638 14.969 2.600 1.00 0.00 WT1 H ATOM 15594 H2 TIP3 4913 53.932 13.566 3.088 1.00 0.00 WT1 H ATOM 15595 OH2 TIP3 4914 64.679 13.111 -16.369 1.00 0.00 WT1 O ATOM 15596 H1 TIP3 4914 64.172 13.433 -15.624 1.00 0.00 WT1 H ATOM 15597 H2 TIP3 4914 65.520 12.851 -15.994 1.00 0.00 WT1 H ATOM 15598 OH2 TIP3 4915 69.996 27.874 -11.875 1.00 0.00 WT1 O ATOM 15599 H1 TIP3 4915 70.015 27.083 -11.335 1.00 0.00 WT1 H ATOM 15600 H2 TIP3 4915 70.365 28.556 -11.313 1.00 0.00 WT1 H ATOM 15601 OH2 TIP3 4916 51.566 35.966 21.095 1.00 0.00 WT1 O ATOM 15602 H1 TIP3 4916 52.312 35.367 21.123 1.00 0.00 WT1 H ATOM 15603 H2 TIP3 4916 51.890 36.732 20.620 1.00 0.00 WT1 H ATOM 15604 OH2 TIP3 4917 45.787 81.319 7.497 1.00 0.00 WT1 O ATOM 15605 H1 TIP3 4917 46.399 80.803 6.972 1.00 0.00 WT1 H ATOM 15606 H2 TIP3 4917 46.312 82.048 7.829 1.00 0.00 WT1 H ATOM 15607 OH2 TIP3 4918 33.646 18.886 14.307 1.00 0.00 WT1 O ATOM 15608 H1 TIP3 4918 34.558 19.159 14.206 1.00 0.00 WT1 H ATOM 15609 H2 TIP3 4918 33.698 18.009 14.687 1.00 0.00 WT1 H ATOM 15610 OH2 TIP3 4919 87.429 88.873 -17.590 1.00 0.00 WT1 O ATOM 15611 H1 TIP3 4919 88.297 89.167 -17.313 1.00 0.00 WT1 H ATOM 15612 H2 TIP3 4919 87.076 88.415 -16.827 1.00 0.00 WT1 H ATOM 15613 OH2 TIP3 4920 79.064 43.119 11.095 1.00 0.00 WT1 O ATOM 15614 H1 TIP3 4920 79.386 43.782 10.485 1.00 0.00 WT1 H ATOM 15615 H2 TIP3 4920 79.831 42.878 11.614 1.00 0.00 WT1 H ATOM 15616 OH2 TIP3 4922 86.450 24.464 -1.211 1.00 0.00 WT1 O ATOM 15617 H1 TIP3 4922 87.399 24.552 -1.303 1.00 0.00 WT1 H ATOM 15618 H2 TIP3 4922 86.097 24.798 -2.035 1.00 0.00 WT1 H ATOM 15619 OH2 TIP3 4924 71.101 86.770 0.644 1.00 0.00 WT1 O ATOM 15620 H1 TIP3 4924 72.056 86.784 0.587 1.00 0.00 WT1 H ATOM 15621 H2 TIP3 4924 70.899 87.286 1.425 1.00 0.00 WT1 H ATOM 15622 OH2 TIP3 4925 68.526 2.322 43.205 1.00 0.00 WT1 O ATOM 15623 H1 TIP3 4925 68.191 2.868 42.493 1.00 0.00 WT1 H ATOM 15624 H2 TIP3 4925 68.361 2.832 43.997 1.00 0.00 WT1 H ATOM 15625 OH2 TIP3 4926 57.288 30.441 -2.709 1.00 0.00 WT1 O ATOM 15626 H1 TIP3 4926 57.605 29.917 -1.974 1.00 0.00 WT1 H ATOM 15627 H2 TIP3 4926 57.317 31.343 -2.390 1.00 0.00 WT1 H ATOM 15628 OH2 TIP3 4927 39.728 8.067 -8.141 1.00 0.00 WT1 O ATOM 15629 H1 TIP3 4927 40.220 7.582 -7.478 1.00 0.00 WT1 H ATOM 15630 H2 TIP3 4927 40.396 8.537 -8.639 1.00 0.00 WT1 H ATOM 15631 OH2 TIP3 4928 88.170 52.666 24.692 1.00 0.00 WT1 O ATOM 15632 H1 TIP3 4928 88.047 51.961 24.057 1.00 0.00 WT1 H ATOM 15633 H2 TIP3 4928 87.284 52.979 24.878 1.00 0.00 WT1 H ATOM 15634 OH2 TIP3 4929 64.113 39.812 23.061 1.00 0.00 WT1 O ATOM 15635 H1 TIP3 4929 63.773 39.025 22.637 1.00 0.00 WT1 H ATOM 15636 H2 TIP3 4929 63.344 40.366 23.192 1.00 0.00 WT1 H ATOM 15637 OH2 TIP3 4930 40.621 92.729 -0.393 1.00 0.00 WT1 O ATOM 15638 H1 TIP3 4930 40.967 92.068 0.207 1.00 0.00 WT1 H ATOM 15639 H2 TIP3 4930 39.719 92.867 -0.104 1.00 0.00 WT1 H ATOM 15640 OH2 TIP3 4931 85.228 25.337 53.850 1.00 0.00 WT1 O ATOM 15641 H1 TIP3 4931 85.594 25.634 53.017 1.00 0.00 WT1 H ATOM 15642 H2 TIP3 4931 84.285 25.291 53.695 1.00 0.00 WT1 H ATOM 15643 OH2 TIP3 4932 35.974 49.673 47.615 1.00 0.00 WT1 O ATOM 15644 H1 TIP3 4932 35.340 49.821 48.317 1.00 0.00 WT1 H ATOM 15645 H2 TIP3 4932 36.720 50.227 47.846 1.00 0.00 WT1 H ATOM 15646 OH2 TIP3 4934 82.111 71.528 2.099 1.00 0.00 WT1 O ATOM 15647 H1 TIP3 4934 81.925 70.702 2.545 1.00 0.00 WT1 H ATOM 15648 H2 TIP3 4934 81.402 71.622 1.462 1.00 0.00 WT1 H ATOM 15649 OH2 TIP3 4935 42.961 47.665 0.266 1.00 0.00 WT1 O ATOM 15650 H1 TIP3 4935 43.867 47.831 0.529 1.00 0.00 WT1 H ATOM 15651 H2 TIP3 4935 42.436 47.978 1.003 1.00 0.00 WT1 H ATOM 15652 OH2 TIP3 4936 85.282 24.046 -6.987 1.00 0.00 WT1 O ATOM 15653 H1 TIP3 4936 86.123 23.976 -6.536 1.00 0.00 WT1 H ATOM 15654 H2 TIP3 4936 84.975 23.142 -7.064 1.00 0.00 WT1 H ATOM 15655 OH2 TIP3 4937 38.630 52.221 63.963 1.00 0.00 WT1 O ATOM 15656 H1 TIP3 4937 37.678 52.178 64.050 1.00 0.00 WT1 H ATOM 15657 H2 TIP3 4937 38.871 51.393 63.549 1.00 0.00 WT1 H ATOM 15658 OH2 TIP3 4938 76.265 90.875 56.281 1.00 0.00 WT1 O ATOM 15659 H1 TIP3 4938 76.381 91.755 55.922 1.00 0.00 WT1 H ATOM 15660 H2 TIP3 4938 75.329 90.699 56.187 1.00 0.00 WT1 H ATOM 15661 OH2 TIP3 4939 70.242 13.895 -3.995 1.00 0.00 WT1 O ATOM 15662 H1 TIP3 4939 70.257 12.965 -3.767 1.00 0.00 WT1 H ATOM 15663 H2 TIP3 4939 69.576 14.272 -3.421 1.00 0.00 WT1 H ATOM 15664 OH2 TIP3 4940 61.668 70.869 35.394 1.00 0.00 WT1 O ATOM 15665 H1 TIP3 4940 61.092 71.299 34.762 1.00 0.00 WT1 H ATOM 15666 H2 TIP3 4940 61.124 70.189 35.791 1.00 0.00 WT1 H ATOM 15667 OH2 TIP3 4941 84.407 26.997 49.370 1.00 0.00 WT1 O ATOM 15668 H1 TIP3 4941 84.248 27.868 49.736 1.00 0.00 WT1 H ATOM 15669 H2 TIP3 4941 84.543 26.437 50.134 1.00 0.00 WT1 H ATOM 15670 OH2 TIP3 4942 80.643 30.552 17.317 1.00 0.00 WT1 O ATOM 15671 H1 TIP3 4942 81.599 30.591 17.287 1.00 0.00 WT1 H ATOM 15672 H2 TIP3 4942 80.414 29.826 16.737 1.00 0.00 WT1 H ATOM 15673 OH2 TIP3 4943 22.036 65.379 66.262 1.00 0.00 WT1 O ATOM 15674 H1 TIP3 4943 22.422 64.508 66.164 1.00 0.00 WT1 H ATOM 15675 H2 TIP3 4943 22.648 65.851 66.826 1.00 0.00 WT1 H ATOM 15676 OH2 TIP3 4947 57.522 0.705 25.852 1.00 0.00 WT1 O ATOM 15677 H1 TIP3 4947 57.133 0.453 25.015 1.00 0.00 WT1 H ATOM 15678 H2 TIP3 4947 58.107 -0.020 26.073 1.00 0.00 WT1 H ATOM 15679 OH2 TIP3 4948 42.981 26.506 26.886 1.00 0.00 WT1 O ATOM 15680 H1 TIP3 4948 42.148 26.956 26.749 1.00 0.00 WT1 H ATOM 15681 H2 TIP3 4948 42.735 25.640 27.211 1.00 0.00 WT1 H ATOM 15682 OH2 TIP3 4949 79.986 13.025 41.559 1.00 0.00 WT1 O ATOM 15683 H1 TIP3 4949 80.847 12.649 41.742 1.00 0.00 WT1 H ATOM 15684 H2 TIP3 4949 80.174 13.887 41.187 1.00 0.00 WT1 H ATOM 15685 OH2 TIP3 4950 85.480 63.822 48.013 1.00 0.00 WT1 O ATOM 15686 H1 TIP3 4950 86.309 64.042 48.437 1.00 0.00 WT1 H ATOM 15687 H2 TIP3 4950 85.506 64.291 47.179 1.00 0.00 WT1 H ATOM 15688 OH2 TIP3 4951 65.808 53.743 6.171 1.00 0.00 WT1 O ATOM 15689 H1 TIP3 4951 65.705 54.669 6.391 1.00 0.00 WT1 H ATOM 15690 H2 TIP3 4951 65.052 53.316 6.574 1.00 0.00 WT1 H ATOM 15691 OH2 TIP3 4952 56.301 65.206 -6.887 1.00 0.00 WT1 O ATOM 15692 H1 TIP3 4952 56.056 65.018 -5.981 1.00 0.00 WT1 H ATOM 15693 H2 TIP3 4952 57.015 64.596 -7.073 1.00 0.00 WT1 H ATOM 15694 OH2 TIP3 4953 86.093 74.218 -1.140 1.00 0.00 WT1 O ATOM 15695 H1 TIP3 4953 86.563 74.189 -0.306 1.00 0.00 WT1 H ATOM 15696 H2 TIP3 4953 85.612 73.391 -1.172 1.00 0.00 WT1 H ATOM 15697 OH2 TIP3 4954 29.262 48.436 2.464 1.00 0.00 WT1 O ATOM 15698 H1 TIP3 4954 30.049 48.601 2.983 1.00 0.00 WT1 H ATOM 15699 H2 TIP3 4954 28.558 48.373 3.110 1.00 0.00 WT1 H ATOM 15700 OH2 TIP3 4955 43.333 80.794 66.820 1.00 0.00 WT1 O ATOM 15701 H1 TIP3 4955 43.411 81.738 66.954 1.00 0.00 WT1 H ATOM 15702 H2 TIP3 4955 43.129 80.444 67.688 1.00 0.00 WT1 H ATOM 15703 OH2 TIP3 4956 84.281 30.978 -15.921 1.00 0.00 WT1 O ATOM 15704 H1 TIP3 4956 83.424 30.988 -15.495 1.00 0.00 WT1 H ATOM 15705 H2 TIP3 4956 84.892 30.734 -15.226 1.00 0.00 WT1 H ATOM 15706 OH2 TIP3 4957 90.435 48.365 -10.283 1.00 0.00 WT1 O ATOM 15707 H1 TIP3 4957 90.183 48.135 -9.388 1.00 0.00 WT1 H ATOM 15708 H2 TIP3 4957 90.126 47.632 -10.815 1.00 0.00 WT1 H ATOM 15709 OH2 TIP3 4958 51.433 81.972 53.355 1.00 0.00 WT1 O ATOM 15710 H1 TIP3 4958 50.550 82.246 53.604 1.00 0.00 WT1 H ATOM 15711 H2 TIP3 4958 51.312 81.485 52.540 1.00 0.00 WT1 H ATOM 15712 OH2 TIP3 4959 59.429 7.172 -0.337 1.00 0.00 WT1 O ATOM 15713 H1 TIP3 4959 59.562 6.736 -1.179 1.00 0.00 WT1 H ATOM 15714 H2 TIP3 4959 59.482 8.106 -0.540 1.00 0.00 WT1 H ATOM 15715 OH2 TIP3 4960 47.844 63.360 -15.398 1.00 0.00 WT1 O ATOM 15716 H1 TIP3 4960 47.608 64.184 -14.972 1.00 0.00 WT1 H ATOM 15717 H2 TIP3 4960 47.409 62.687 -14.874 1.00 0.00 WT1 H ATOM 15718 OH2 TIP3 4962 33.521 10.476 -2.625 1.00 0.00 WT1 O ATOM 15719 H1 TIP3 4962 33.371 11.058 -3.370 1.00 0.00 WT1 H ATOM 15720 H2 TIP3 4962 32.650 10.322 -2.261 1.00 0.00 WT1 H ATOM 15721 OH2 TIP3 4963 63.836 3.109 7.706 1.00 0.00 WT1 O ATOM 15722 H1 TIP3 4963 63.808 3.909 7.182 1.00 0.00 WT1 H ATOM 15723 H2 TIP3 4963 63.728 2.402 7.071 1.00 0.00 WT1 H ATOM 15724 OH2 TIP3 4964 57.409 25.392 13.516 1.00 0.00 WT1 O ATOM 15725 H1 TIP3 4964 56.700 26.019 13.661 1.00 0.00 WT1 H ATOM 15726 H2 TIP3 4964 56.996 24.534 13.619 1.00 0.00 WT1 H ATOM 15727 OH2 TIP3 4965 31.425 20.017 25.224 1.00 0.00 WT1 O ATOM 15728 H1 TIP3 4965 31.617 20.897 25.550 1.00 0.00 WT1 H ATOM 15729 H2 TIP3 4965 30.541 19.832 25.541 1.00 0.00 WT1 H ATOM 15730 OH2 TIP3 4966 49.055 22.445 55.719 1.00 0.00 WT1 O ATOM 15731 H1 TIP3 4966 49.745 21.871 55.386 1.00 0.00 WT1 H ATOM 15732 H2 TIP3 4966 48.930 22.168 56.627 1.00 0.00 WT1 H ATOM 15733 OH2 TIP3 4967 40.319 80.755 2.604 1.00 0.00 WT1 O ATOM 15734 H1 TIP3 4967 41.174 80.462 2.290 1.00 0.00 WT1 H ATOM 15735 H2 TIP3 4967 40.239 80.368 3.477 1.00 0.00 WT1 H ATOM 15736 OH2 TIP3 4968 34.769 82.099 -6.214 1.00 0.00 WT1 O ATOM 15737 H1 TIP3 4968 35.689 82.252 -5.999 1.00 0.00 WT1 H ATOM 15738 H2 TIP3 4968 34.283 82.550 -5.524 1.00 0.00 WT1 H ATOM 15739 OH2 TIP3 4970 64.330 87.416 32.966 1.00 0.00 WT1 O ATOM 15740 H1 TIP3 4970 65.084 87.164 33.499 1.00 0.00 WT1 H ATOM 15741 H2 TIP3 4970 63.691 87.749 33.595 1.00 0.00 WT1 H ATOM 15742 OH2 TIP3 4971 40.155 55.978 4.743 1.00 0.00 WT1 O ATOM 15743 H1 TIP3 4971 40.594 55.763 3.920 1.00 0.00 WT1 H ATOM 15744 H2 TIP3 4971 40.677 55.540 5.415 1.00 0.00 WT1 H ATOM 15745 OH2 TIP3 4973 45.562 32.024 -16.670 1.00 0.00 WT1 O ATOM 15746 H1 TIP3 4973 46.244 31.362 -16.552 1.00 0.00 WT1 H ATOM 15747 H2 TIP3 4973 45.782 32.710 -16.039 1.00 0.00 WT1 H ATOM 15748 OH2 TIP3 4974 29.501 31.614 42.223 1.00 0.00 WT1 O ATOM 15749 H1 TIP3 4974 28.932 30.852 42.116 1.00 0.00 WT1 H ATOM 15750 H2 TIP3 4974 30.331 31.351 41.824 1.00 0.00 WT1 H ATOM 15751 OH2 TIP3 4975 31.893 44.283 44.785 1.00 0.00 WT1 O ATOM 15752 H1 TIP3 4975 30.964 44.181 44.990 1.00 0.00 WT1 H ATOM 15753 H2 TIP3 4975 32.248 43.395 44.833 1.00 0.00 WT1 H ATOM 15754 OH2 TIP3 4976 52.293 11.371 55.499 1.00 0.00 WT1 O ATOM 15755 H1 TIP3 4976 51.388 11.059 55.507 1.00 0.00 WT1 H ATOM 15756 H2 TIP3 4976 52.700 10.905 54.769 1.00 0.00 WT1 H ATOM 15757 OH2 TIP3 4977 73.552 94.280 55.622 1.00 0.00 WT1 O ATOM 15758 H1 TIP3 4977 73.490 93.352 55.846 1.00 0.00 WT1 H ATOM 15759 H2 TIP3 4977 73.981 94.293 54.766 1.00 0.00 WT1 H ATOM 15760 OH2 TIP3 4978 71.441 28.505 13.458 1.00 0.00 WT1 O ATOM 15761 H1 TIP3 4978 71.198 29.429 13.400 1.00 0.00 WT1 H ATOM 15762 H2 TIP3 4978 72.231 28.431 12.923 1.00 0.00 WT1 H ATOM 15763 OH2 TIP3 4979 50.522 49.269 -5.939 1.00 0.00 WT1 O ATOM 15764 H1 TIP3 4979 50.057 48.887 -5.195 1.00 0.00 WT1 H ATOM 15765 H2 TIP3 4979 51.379 49.512 -5.589 1.00 0.00 WT1 H ATOM 15766 OH2 TIP3 4980 50.698 39.056 -14.880 1.00 0.00 WT1 O ATOM 15767 H1 TIP3 4980 51.126 39.913 -14.882 1.00 0.00 WT1 H ATOM 15768 H2 TIP3 4980 50.194 39.042 -14.067 1.00 0.00 WT1 H ATOM 15769 OH2 TIP3 4981 27.177 43.634 -18.462 1.00 0.00 WT1 O ATOM 15770 H1 TIP3 4981 27.422 44.519 -18.193 1.00 0.00 WT1 H ATOM 15771 H2 TIP3 4981 27.889 43.080 -18.141 1.00 0.00 WT1 H ATOM 15772 OH2 TIP3 4982 78.783 4.496 -2.931 1.00 0.00 WT1 O ATOM 15773 H1 TIP3 4982 78.229 4.867 -3.617 1.00 0.00 WT1 H ATOM 15774 H2 TIP3 4982 78.542 4.979 -2.140 1.00 0.00 WT1 H ATOM 15775 OH2 TIP3 4983 36.900 6.818 56.951 1.00 0.00 WT1 O ATOM 15776 H1 TIP3 4983 37.847 6.715 57.043 1.00 0.00 WT1 H ATOM 15777 H2 TIP3 4983 36.652 7.408 57.663 1.00 0.00 WT1 H ATOM 15778 OH2 TIP3 4984 54.550 7.356 35.418 1.00 0.00 WT1 O ATOM 15779 H1 TIP3 4984 55.365 7.604 34.982 1.00 0.00 WT1 H ATOM 15780 H2 TIP3 4984 54.739 6.508 35.818 1.00 0.00 WT1 H ATOM 15781 OH2 TIP3 4985 86.086 77.292 27.828 1.00 0.00 WT1 O ATOM 15782 H1 TIP3 4985 85.871 76.359 27.815 1.00 0.00 WT1 H ATOM 15783 H2 TIP3 4985 87.001 77.324 28.107 1.00 0.00 WT1 H ATOM 15784 OH2 TIP3 4986 50.055 38.104 5.094 1.00 0.00 WT1 O ATOM 15785 H1 TIP3 4986 49.765 38.780 5.707 1.00 0.00 WT1 H ATOM 15786 H2 TIP3 4986 50.449 37.430 5.648 1.00 0.00 WT1 H ATOM 15787 OH2 TIP3 4988 30.117 69.145 61.566 1.00 0.00 WT1 O ATOM 15788 H1 TIP3 4988 30.290 68.289 61.959 1.00 0.00 WT1 H ATOM 15789 H2 TIP3 4988 30.525 69.100 60.701 1.00 0.00 WT1 H ATOM 15790 OH2 TIP3 4991 71.217 11.146 -3.810 1.00 0.00 WT1 O ATOM 15791 H1 TIP3 4991 71.710 10.817 -3.059 1.00 0.00 WT1 H ATOM 15792 H2 TIP3 4991 71.256 10.437 -4.452 1.00 0.00 WT1 H ATOM 15793 OH2 TIP3 4992 79.759 70.850 -15.109 1.00 0.00 WT1 O ATOM 15794 H1 TIP3 4992 80.570 70.357 -14.991 1.00 0.00 WT1 H ATOM 15795 H2 TIP3 4992 80.046 71.747 -15.280 1.00 0.00 WT1 H ATOM 15796 OH2 TIP3 4993 48.837 8.884 12.344 1.00 0.00 WT1 O ATOM 15797 H1 TIP3 4993 48.413 8.927 11.486 1.00 0.00 WT1 H ATOM 15798 H2 TIP3 4993 49.135 9.778 12.510 1.00 0.00 WT1 H ATOM 15799 OH2 TIP3 4994 46.099 3.970 35.905 1.00 0.00 WT1 O ATOM 15800 H1 TIP3 4994 45.253 3.537 35.789 1.00 0.00 WT1 H ATOM 15801 H2 TIP3 4994 46.744 3.281 35.747 1.00 0.00 WT1 H ATOM 15802 OH2 TIP3 4995 53.761 43.867 67.120 1.00 0.00 WT1 O ATOM 15803 H1 TIP3 4995 53.747 44.730 66.708 1.00 0.00 WT1 H ATOM 15804 H2 TIP3 4995 52.947 43.826 67.622 1.00 0.00 WT1 H ATOM 15805 OH2 TIP3 4996 63.663 76.749 50.849 1.00 0.00 WT1 O ATOM 15806 H1 TIP3 4996 64.005 77.110 50.031 1.00 0.00 WT1 H ATOM 15807 H2 TIP3 4996 63.669 77.487 51.458 1.00 0.00 WT1 H ATOM 15808 OH2 TIP3 4997 82.358 26.736 37.411 1.00 0.00 WT1 O ATOM 15809 H1 TIP3 4997 82.687 27.029 36.561 1.00 0.00 WT1 H ATOM 15810 H2 TIP3 4997 82.887 25.967 37.622 1.00 0.00 WT1 H ATOM 15811 OH2 TIP3 4998 76.617 35.968 -13.067 1.00 0.00 WT1 O ATOM 15812 H1 TIP3 4998 76.671 36.836 -13.467 1.00 0.00 WT1 H ATOM 15813 H2 TIP3 4998 77.420 35.526 -13.342 1.00 0.00 WT1 H ATOM 15814 OH2 TIP3 4999 58.442 90.564 9.118 1.00 0.00 WT1 O ATOM 15815 H1 TIP3 4999 57.964 91.026 9.807 1.00 0.00 WT1 H ATOM 15816 H2 TIP3 4999 57.781 90.024 8.686 1.00 0.00 WT1 H ATOM 15817 OH2 TIP3 5000 26.471 0.769 3.631 1.00 0.00 WT1 O ATOM 15818 H1 TIP3 5000 26.854 0.754 2.754 1.00 0.00 WT1 H ATOM 15819 H2 TIP3 5000 26.970 0.116 4.122 1.00 0.00 WT1 H ATOM 15820 OH2 TIP3 5001 62.606 3.451 -18.231 1.00 0.00 WT1 O ATOM 15821 H1 TIP3 5001 62.623 2.494 -18.252 1.00 0.00 WT1 H ATOM 15822 H2 TIP3 5001 62.621 3.711 -19.152 1.00 0.00 WT1 H ATOM 15823 OH2 TIP3 5002 86.682 28.804 1.073 1.00 0.00 WT1 O ATOM 15824 H1 TIP3 5002 85.969 29.438 1.154 1.00 0.00 WT1 H ATOM 15825 H2 TIP3 5002 86.614 28.264 1.861 1.00 0.00 WT1 H ATOM 15826 OH2 TIP3 5003 74.023 3.948 54.547 1.00 0.00 WT1 O ATOM 15827 H1 TIP3 5003 73.825 4.835 54.246 1.00 0.00 WT1 H ATOM 15828 H2 TIP3 5003 74.873 4.025 54.979 1.00 0.00 WT1 H ATOM 15829 OH2 TIP3 5004 60.750 29.250 13.195 1.00 0.00 WT1 O ATOM 15830 H1 TIP3 5004 59.869 28.884 13.110 1.00 0.00 WT1 H ATOM 15831 H2 TIP3 5004 60.878 29.351 14.138 1.00 0.00 WT1 H ATOM 15832 OH2 TIP3 5005 59.446 91.137 56.055 1.00 0.00 WT1 O ATOM 15833 H1 TIP3 5005 59.351 90.337 55.537 1.00 0.00 WT1 H ATOM 15834 H2 TIP3 5005 59.803 91.779 55.441 1.00 0.00 WT1 H ATOM 15835 OH2 TIP3 5007 45.436 32.437 -1.001 1.00 0.00 WT1 O ATOM 15836 H1 TIP3 5007 44.929 33.227 -1.189 1.00 0.00 WT1 H ATOM 15837 H2 TIP3 5007 46.316 32.757 -0.804 1.00 0.00 WT1 H ATOM 15838 OH2 TIP3 5008 59.412 36.088 -4.157 1.00 0.00 WT1 O ATOM 15839 H1 TIP3 5008 58.541 35.892 -4.501 1.00 0.00 WT1 H ATOM 15840 H2 TIP3 5008 59.298 36.096 -3.206 1.00 0.00 WT1 H ATOM 15841 OH2 TIP3 5009 54.817 6.249 66.039 1.00 0.00 WT1 O ATOM 15842 H1 TIP3 5009 54.915 5.303 66.148 1.00 0.00 WT1 H ATOM 15843 H2 TIP3 5009 55.578 6.622 66.483 1.00 0.00 WT1 H ATOM 15844 OH2 TIP3 5010 82.989 31.529 12.939 1.00 0.00 WT1 O ATOM 15845 H1 TIP3 5010 83.170 31.410 12.006 1.00 0.00 WT1 H ATOM 15846 H2 TIP3 5010 82.297 30.896 13.131 1.00 0.00 WT1 H ATOM 15847 OH2 TIP3 5011 68.987 5.288 34.954 1.00 0.00 WT1 O ATOM 15848 H1 TIP3 5011 69.786 5.197 35.474 1.00 0.00 WT1 H ATOM 15849 H2 TIP3 5011 68.703 4.388 34.792 1.00 0.00 WT1 H ATOM 15850 OH2 TIP3 5013 62.253 18.998 1.249 1.00 0.00 WT1 O ATOM 15851 H1 TIP3 5013 61.448 18.541 1.006 1.00 0.00 WT1 H ATOM 15852 H2 TIP3 5013 61.957 19.850 1.569 1.00 0.00 WT1 H ATOM 15853 OH2 TIP3 5014 57.378 19.714 14.540 1.00 0.00 WT1 O ATOM 15854 H1 TIP3 5014 56.573 19.703 15.058 1.00 0.00 WT1 H ATOM 15855 H2 TIP3 5014 57.134 19.305 13.709 1.00 0.00 WT1 H ATOM 15856 OH2 TIP3 5015 33.047 93.957 61.612 1.00 0.00 WT1 O ATOM 15857 H1 TIP3 5015 32.112 94.120 61.483 1.00 0.00 WT1 H ATOM 15858 H2 TIP3 5015 33.307 93.435 60.853 1.00 0.00 WT1 H ATOM 15859 OH2 TIP3 5016 56.957 90.104 46.261 1.00 0.00 WT1 O ATOM 15860 H1 TIP3 5016 56.100 89.712 46.097 1.00 0.00 WT1 H ATOM 15861 H2 TIP3 5016 57.293 90.320 45.390 1.00 0.00 WT1 H ATOM 15862 OH2 TIP3 5017 71.641 94.966 26.756 1.00 0.00 WT1 O ATOM 15863 H1 TIP3 5017 71.541 94.157 26.254 1.00 0.00 WT1 H ATOM 15864 H2 TIP3 5017 71.168 95.625 26.246 1.00 0.00 WT1 H ATOM 15865 OH2 TIP3 5018 29.206 86.323 -1.505 1.00 0.00 WT1 O ATOM 15866 H1 TIP3 5018 28.435 86.717 -1.098 1.00 0.00 WT1 H ATOM 15867 H2 TIP3 5018 29.945 86.675 -1.009 1.00 0.00 WT1 H ATOM 15868 OH2 TIP3 5019 24.348 25.918 -17.352 1.00 0.00 WT1 O ATOM 15869 H1 TIP3 5019 24.978 25.554 -17.975 1.00 0.00 WT1 H ATOM 15870 H2 TIP3 5019 24.856 26.064 -16.554 1.00 0.00 WT1 H ATOM 15871 OH2 TIP3 5020 41.182 6.935 45.180 1.00 0.00 WT1 O ATOM 15872 H1 TIP3 5020 41.901 7.417 45.588 1.00 0.00 WT1 H ATOM 15873 H2 TIP3 5020 40.396 7.424 45.424 1.00 0.00 WT1 H ATOM 15874 OH2 TIP3 5021 26.548 4.266 -14.705 1.00 0.00 WT1 O ATOM 15875 H1 TIP3 5021 26.714 4.684 -13.860 1.00 0.00 WT1 H ATOM 15876 H2 TIP3 5021 26.778 3.347 -14.567 1.00 0.00 WT1 H ATOM 15877 OH2 TIP3 5022 20.404 53.906 -2.357 1.00 0.00 WT1 O ATOM 15878 H1 TIP3 5022 20.953 54.532 -2.829 1.00 0.00 WT1 H ATOM 15879 H2 TIP3 5022 19.783 54.449 -1.872 1.00 0.00 WT1 H ATOM 15880 OH2 TIP3 5023 89.342 70.000 -9.925 1.00 0.00 WT1 O ATOM 15881 H1 TIP3 5023 89.781 69.253 -9.517 1.00 0.00 WT1 H ATOM 15882 H2 TIP3 5023 89.459 70.717 -9.302 1.00 0.00 WT1 H ATOM 15883 OH2 TIP3 5024 21.045 67.207 64.109 1.00 0.00 WT1 O ATOM 15884 H1 TIP3 5024 21.264 66.607 64.822 1.00 0.00 WT1 H ATOM 15885 H2 TIP3 5024 20.605 66.659 63.460 1.00 0.00 WT1 H ATOM 15886 OH2 TIP3 5025 43.870 93.446 16.973 1.00 0.00 WT1 O ATOM 15887 H1 TIP3 5025 44.325 92.957 16.287 1.00 0.00 WT1 H ATOM 15888 H2 TIP3 5025 43.212 92.836 17.306 1.00 0.00 WT1 H ATOM 15889 OH2 TIP3 5031 21.494 27.433 33.779 1.00 0.00 WT1 O ATOM 15890 H1 TIP3 5031 20.807 26.855 34.110 1.00 0.00 WT1 H ATOM 15891 H2 TIP3 5031 21.047 28.261 33.602 1.00 0.00 WT1 H ATOM 15892 OH2 TIP3 5033 37.281 28.937 53.152 1.00 0.00 WT1 O ATOM 15893 H1 TIP3 5033 37.083 28.026 53.369 1.00 0.00 WT1 H ATOM 15894 H2 TIP3 5033 38.207 28.931 52.911 1.00 0.00 WT1 H ATOM 15895 OH2 TIP3 5035 59.854 27.184 -14.223 1.00 0.00 WT1 O ATOM 15896 H1 TIP3 5035 60.481 27.232 -13.501 1.00 0.00 WT1 H ATOM 15897 H2 TIP3 5035 59.378 28.014 -14.183 1.00 0.00 WT1 H ATOM 15898 OH2 TIP3 5038 61.819 26.836 25.108 1.00 0.00 WT1 O ATOM 15899 H1 TIP3 5038 61.490 27.088 24.245 1.00 0.00 WT1 H ATOM 15900 H2 TIP3 5038 61.077 26.975 25.698 1.00 0.00 WT1 H ATOM 15901 OH2 TIP3 5039 71.391 47.850 28.104 1.00 0.00 WT1 O ATOM 15902 H1 TIP3 5039 71.059 48.219 28.923 1.00 0.00 WT1 H ATOM 15903 H2 TIP3 5039 71.000 46.977 28.058 1.00 0.00 WT1 H ATOM 15904 OH2 TIP3 5040 78.049 42.651 -15.103 1.00 0.00 WT1 O ATOM 15905 H1 TIP3 5040 78.414 43.468 -15.443 1.00 0.00 WT1 H ATOM 15906 H2 TIP3 5040 78.375 42.598 -14.204 1.00 0.00 WT1 H ATOM 15907 OH2 TIP3 5041 78.519 92.018 39.111 1.00 0.00 WT1 O ATOM 15908 H1 TIP3 5041 77.596 92.272 39.119 1.00 0.00 WT1 H ATOM 15909 H2 TIP3 5041 78.633 91.553 38.283 1.00 0.00 WT1 H ATOM 15910 OH2 TIP3 5043 45.014 35.869 40.908 1.00 0.00 WT1 O ATOM 15911 H1 TIP3 5043 44.166 36.268 40.711 1.00 0.00 WT1 H ATOM 15912 H2 TIP3 5043 45.549 36.047 40.135 1.00 0.00 WT1 H ATOM 15913 OH2 TIP3 5044 24.767 13.468 43.971 1.00 0.00 WT1 O ATOM 15914 H1 TIP3 5044 25.708 13.630 44.043 1.00 0.00 WT1 H ATOM 15915 H2 TIP3 5044 24.677 12.522 44.083 1.00 0.00 WT1 H ATOM 15916 OH2 TIP3 5045 49.779 46.676 -7.087 1.00 0.00 WT1 O ATOM 15917 H1 TIP3 5045 49.010 47.244 -7.141 1.00 0.00 WT1 H ATOM 15918 H2 TIP3 5045 50.338 47.091 -6.429 1.00 0.00 WT1 H ATOM 15919 OH2 TIP3 5046 61.657 28.089 3.843 1.00 0.00 WT1 O ATOM 15920 H1 TIP3 5046 61.249 28.846 4.263 1.00 0.00 WT1 H ATOM 15921 H2 TIP3 5046 60.929 27.619 3.436 1.00 0.00 WT1 H ATOM 15922 OH2 TIP3 5047 58.522 14.699 23.878 1.00 0.00 WT1 O ATOM 15923 H1 TIP3 5047 59.142 14.014 24.129 1.00 0.00 WT1 H ATOM 15924 H2 TIP3 5047 59.046 15.501 23.861 1.00 0.00 WT1 H ATOM 15925 OH2 TIP3 5048 67.664 78.879 57.985 1.00 0.00 WT1 O ATOM 15926 H1 TIP3 5048 67.631 79.830 57.880 1.00 0.00 WT1 H ATOM 15927 H2 TIP3 5048 67.108 78.541 57.283 1.00 0.00 WT1 H ATOM 15928 OH2 TIP3 5049 55.719 8.937 16.326 1.00 0.00 WT1 O ATOM 15929 H1 TIP3 5049 56.013 9.398 17.112 1.00 0.00 WT1 H ATOM 15930 H2 TIP3 5049 55.433 8.081 16.644 1.00 0.00 WT1 H ATOM 15931 OH2 TIP3 5050 63.909 6.441 20.016 1.00 0.00 WT1 O ATOM 15932 H1 TIP3 5050 63.794 7.177 20.617 1.00 0.00 WT1 H ATOM 15933 H2 TIP3 5050 63.775 5.664 20.559 1.00 0.00 WT1 H ATOM 15934 OH2 TIP3 5051 63.343 60.990 43.523 1.00 0.00 WT1 O ATOM 15935 H1 TIP3 5051 62.405 61.168 43.445 1.00 0.00 WT1 H ATOM 15936 H2 TIP3 5051 63.398 60.265 44.146 1.00 0.00 WT1 H ATOM 15937 OH2 TIP3 5055 25.082 59.471 34.485 1.00 0.00 WT1 O ATOM 15938 H1 TIP3 5055 25.770 60.134 34.557 1.00 0.00 WT1 H ATOM 15939 H2 TIP3 5055 25.455 58.800 33.914 1.00 0.00 WT1 H ATOM 15940 OH2 TIP3 5056 29.847 51.970 7.935 1.00 0.00 WT1 O ATOM 15941 H1 TIP3 5056 30.536 52.457 8.386 1.00 0.00 WT1 H ATOM 15942 H2 TIP3 5056 30.055 51.050 8.102 1.00 0.00 WT1 H ATOM 15943 OH2 TIP3 5057 67.793 26.383 23.727 1.00 0.00 WT1 O ATOM 15944 H1 TIP3 5057 67.596 26.481 22.795 1.00 0.00 WT1 H ATOM 15945 H2 TIP3 5057 68.238 27.196 23.965 1.00 0.00 WT1 H ATOM 15946 OH2 TIP3 5058 69.543 7.969 59.664 1.00 0.00 WT1 O ATOM 15947 H1 TIP3 5058 69.268 8.605 59.004 1.00 0.00 WT1 H ATOM 15948 H2 TIP3 5058 70.384 8.300 59.980 1.00 0.00 WT1 H ATOM 15949 OH2 TIP3 5059 72.017 23.620 29.438 1.00 0.00 WT1 O ATOM 15950 H1 TIP3 5059 71.897 24.487 29.049 1.00 0.00 WT1 H ATOM 15951 H2 TIP3 5059 71.311 23.091 29.067 1.00 0.00 WT1 H ATOM 15952 OH2 TIP3 5060 82.377 84.787 -14.400 1.00 0.00 WT1 O ATOM 15953 H1 TIP3 5060 81.449 84.618 -14.238 1.00 0.00 WT1 H ATOM 15954 H2 TIP3 5060 82.832 84.324 -13.697 1.00 0.00 WT1 H ATOM 15955 OH2 TIP3 5061 73.509 19.693 64.281 1.00 0.00 WT1 O ATOM 15956 H1 TIP3 5061 74.196 20.328 64.082 1.00 0.00 WT1 H ATOM 15957 H2 TIP3 5061 73.943 19.031 64.820 1.00 0.00 WT1 H ATOM 15958 OH2 TIP3 5062 38.156 27.967 25.524 1.00 0.00 WT1 O ATOM 15959 H1 TIP3 5062 38.183 28.816 25.083 1.00 0.00 WT1 H ATOM 15960 H2 TIP3 5062 38.168 27.327 24.812 1.00 0.00 WT1 H ATOM 15961 OH2 TIP3 5063 82.765 42.083 26.776 1.00 0.00 WT1 O ATOM 15962 H1 TIP3 5063 82.607 42.511 25.935 1.00 0.00 WT1 H ATOM 15963 H2 TIP3 5063 82.717 42.791 27.418 1.00 0.00 WT1 H ATOM 15964 OH2 TIP3 5064 56.446 81.232 -12.465 1.00 0.00 WT1 O ATOM 15965 H1 TIP3 5064 56.145 80.324 -12.494 1.00 0.00 WT1 H ATOM 15966 H2 TIP3 5064 55.678 81.730 -12.184 1.00 0.00 WT1 H ATOM 15967 OH2 TIP3 5065 43.525 75.692 14.520 1.00 0.00 WT1 O ATOM 15968 H1 TIP3 5065 43.572 74.811 14.890 1.00 0.00 WT1 H ATOM 15969 H2 TIP3 5065 43.237 75.558 13.617 1.00 0.00 WT1 H ATOM 15970 OH2 TIP3 5066 80.879 20.331 -15.464 1.00 0.00 WT1 O ATOM 15971 H1 TIP3 5066 80.410 21.133 -15.236 1.00 0.00 WT1 H ATOM 15972 H2 TIP3 5066 80.569 19.684 -14.830 1.00 0.00 WT1 H ATOM 15973 OH2 TIP3 5067 51.895 1.204 -17.975 1.00 0.00 WT1 O ATOM 15974 H1 TIP3 5067 51.414 0.452 -17.630 1.00 0.00 WT1 H ATOM 15975 H2 TIP3 5067 51.633 1.934 -17.414 1.00 0.00 WT1 H ATOM 15976 OH2 TIP3 5068 70.494 12.089 11.428 1.00 0.00 WT1 O ATOM 15977 H1 TIP3 5068 69.964 11.318 11.226 1.00 0.00 WT1 H ATOM 15978 H2 TIP3 5068 69.993 12.824 11.075 1.00 0.00 WT1 H ATOM 15979 OH2 TIP3 5069 26.124 1.596 6.842 1.00 0.00 WT1 O ATOM 15980 H1 TIP3 5069 25.662 2.042 6.131 1.00 0.00 WT1 H ATOM 15981 H2 TIP3 5069 26.134 0.675 6.581 1.00 0.00 WT1 H ATOM 15982 OH2 TIP3 5070 30.563 50.774 25.399 1.00 0.00 WT1 O ATOM 15983 H1 TIP3 5070 30.969 51.582 25.087 1.00 0.00 WT1 H ATOM 15984 H2 TIP3 5070 31.010 50.583 26.224 1.00 0.00 WT1 H ATOM 15985 OH2 TIP3 5072 54.131 61.319 50.658 1.00 0.00 WT1 O ATOM 15986 H1 TIP3 5072 54.310 61.416 49.723 1.00 0.00 WT1 H ATOM 15987 H2 TIP3 5072 53.303 61.780 50.794 1.00 0.00 WT1 H ATOM 15988 OH2 TIP3 5073 27.810 18.603 5.303 1.00 0.00 WT1 O ATOM 15989 H1 TIP3 5073 27.826 18.967 6.188 1.00 0.00 WT1 H ATOM 15990 H2 TIP3 5073 27.805 19.369 4.729 1.00 0.00 WT1 H ATOM 15991 OH2 TIP3 5074 43.997 96.776 55.377 1.00 0.00 WT1 O ATOM 15992 H1 TIP3 5074 44.211 96.198 56.109 1.00 0.00 WT1 H ATOM 15993 H2 TIP3 5074 44.203 96.262 54.597 1.00 0.00 WT1 H ATOM 15994 OH2 TIP3 5075 81.884 21.357 -10.054 1.00 0.00 WT1 O ATOM 15995 H1 TIP3 5075 81.521 22.024 -10.636 1.00 0.00 WT1 H ATOM 15996 H2 TIP3 5075 81.628 21.639 -9.176 1.00 0.00 WT1 H ATOM 15997 OH2 TIP3 5076 42.314 84.871 -0.834 1.00 0.00 WT1 O ATOM 15998 H1 TIP3 5076 43.224 84.606 -0.699 1.00 0.00 WT1 H ATOM 15999 H2 TIP3 5076 42.248 85.728 -0.412 1.00 0.00 WT1 H ATOM 16000 OH2 TIP3 5077 74.265 15.388 67.305 1.00 0.00 WT1 O ATOM 16001 H1 TIP3 5077 74.611 14.496 67.269 1.00 0.00 WT1 H ATOM 16002 H2 TIP3 5077 74.122 15.626 66.389 1.00 0.00 WT1 H ATOM 16003 OH2 TIP3 5078 79.952 7.268 -13.209 1.00 0.00 WT1 O ATOM 16004 H1 TIP3 5078 80.380 6.977 -12.404 1.00 0.00 WT1 H ATOM 16005 H2 TIP3 5078 79.544 6.478 -13.563 1.00 0.00 WT1 H ATOM 16006 OH2 TIP3 5080 35.338 53.571 57.672 1.00 0.00 WT1 O ATOM 16007 H1 TIP3 5080 35.756 54.371 57.993 1.00 0.00 WT1 H ATOM 16008 H2 TIP3 5080 34.679 53.878 57.049 1.00 0.00 WT1 H ATOM 16009 OH2 TIP3 5081 89.332 80.660 52.093 1.00 0.00 WT1 O ATOM 16010 H1 TIP3 5081 89.971 80.024 52.412 1.00 0.00 WT1 H ATOM 16011 H2 TIP3 5081 89.825 81.477 52.013 1.00 0.00 WT1 H ATOM 16012 OH2 TIP3 5082 57.004 35.807 36.699 1.00 0.00 WT1 O ATOM 16013 H1 TIP3 5082 56.696 36.443 36.054 1.00 0.00 WT1 H ATOM 16014 H2 TIP3 5082 56.569 36.061 37.513 1.00 0.00 WT1 H ATOM 16015 OH2 TIP3 5084 66.018 32.121 -17.732 1.00 0.00 WT1 O ATOM 16016 H1 TIP3 5084 65.615 31.440 -18.270 1.00 0.00 WT1 H ATOM 16017 H2 TIP3 5084 65.342 32.794 -17.649 1.00 0.00 WT1 H ATOM 16018 OH2 TIP3 5085 77.208 70.257 41.291 1.00 0.00 WT1 O ATOM 16019 H1 TIP3 5085 76.837 70.506 40.445 1.00 0.00 WT1 H ATOM 16020 H2 TIP3 5085 78.133 70.093 41.108 1.00 0.00 WT1 H ATOM 16021 OH2 TIP3 5088 79.578 81.863 -6.045 1.00 0.00 WT1 O ATOM 16022 H1 TIP3 5088 79.806 81.852 -6.975 1.00 0.00 WT1 H ATOM 16023 H2 TIP3 5088 78.624 81.939 -6.032 1.00 0.00 WT1 H ATOM 16024 OH2 TIP3 5090 22.956 55.568 -14.493 1.00 0.00 WT1 O ATOM 16025 H1 TIP3 5090 23.022 55.620 -13.540 1.00 0.00 WT1 H ATOM 16026 H2 TIP3 5090 22.822 56.473 -14.775 1.00 0.00 WT1 H ATOM 16027 OH2 TIP3 5091 89.045 68.821 2.556 1.00 0.00 WT1 O ATOM 16028 H1 TIP3 5091 88.698 68.682 3.437 1.00 0.00 WT1 H ATOM 16029 H2 TIP3 5091 88.645 68.131 2.028 1.00 0.00 WT1 H ATOM 16030 OH2 TIP3 5092 71.147 31.498 17.015 1.00 0.00 WT1 O ATOM 16031 H1 TIP3 5092 70.982 31.312 17.939 1.00 0.00 WT1 H ATOM 16032 H2 TIP3 5092 70.284 31.456 16.603 1.00 0.00 WT1 H ATOM 16033 OH2 TIP3 5093 42.220 93.629 12.202 1.00 0.00 WT1 O ATOM 16034 H1 TIP3 5093 41.428 93.180 12.499 1.00 0.00 WT1 H ATOM 16035 H2 TIP3 5093 42.836 92.924 12.004 1.00 0.00 WT1 H ATOM 16036 OH2 TIP3 5096 67.900 34.775 24.374 1.00 0.00 WT1 O ATOM 16037 H1 TIP3 5096 67.487 35.627 24.516 1.00 0.00 WT1 H ATOM 16038 H2 TIP3 5096 68.817 34.981 24.192 1.00 0.00 WT1 H ATOM 16039 OH2 TIP3 5097 28.780 52.436 0.369 1.00 0.00 WT1 O ATOM 16040 H1 TIP3 5097 29.403 51.766 0.087 1.00 0.00 WT1 H ATOM 16041 H2 TIP3 5097 28.500 52.152 1.239 1.00 0.00 WT1 H ATOM 16042 OH2 TIP3 5103 46.541 38.889 64.257 1.00 0.00 WT1 O ATOM 16043 H1 TIP3 5103 47.361 38.747 63.785 1.00 0.00 WT1 H ATOM 16044 H2 TIP3 5103 46.006 39.409 63.657 1.00 0.00 WT1 H ATOM 16045 OH2 TIP3 5104 36.499 10.065 19.934 1.00 0.00 WT1 O ATOM 16046 H1 TIP3 5104 35.989 10.875 19.935 1.00 0.00 WT1 H ATOM 16047 H2 TIP3 5104 37.411 10.355 19.953 1.00 0.00 WT1 H ATOM 16048 OH2 TIP3 5106 49.949 60.646 -8.397 1.00 0.00 WT1 O ATOM 16049 H1 TIP3 5106 50.496 60.221 -7.736 1.00 0.00 WT1 H ATOM 16050 H2 TIP3 5106 49.471 61.320 -7.914 1.00 0.00 WT1 H ATOM 16051 OH2 TIP3 5108 20.686 37.682 29.101 1.00 0.00 WT1 O ATOM 16052 H1 TIP3 5108 20.099 38.384 28.821 1.00 0.00 WT1 H ATOM 16053 H2 TIP3 5108 21.303 38.108 29.696 1.00 0.00 WT1 H ATOM 16054 OH2 TIP3 5109 58.927 90.933 66.187 1.00 0.00 WT1 O ATOM 16055 H1 TIP3 5109 59.692 90.701 65.661 1.00 0.00 WT1 H ATOM 16056 H2 TIP3 5109 58.898 90.269 66.875 1.00 0.00 WT1 H ATOM 16057 OH2 TIP3 5110 83.711 15.384 49.953 1.00 0.00 WT1 O ATOM 16058 H1 TIP3 5110 83.928 14.691 50.577 1.00 0.00 WT1 H ATOM 16059 H2 TIP3 5110 82.808 15.621 50.164 1.00 0.00 WT1 H ATOM 16060 OH2 TIP3 5111 58.502 63.747 -7.317 1.00 0.00 WT1 O ATOM 16061 H1 TIP3 5111 58.725 63.926 -8.230 1.00 0.00 WT1 H ATOM 16062 H2 TIP3 5111 59.231 63.219 -6.991 1.00 0.00 WT1 H ATOM 16063 OH2 TIP3 5114 65.706 77.160 64.178 1.00 0.00 WT1 O ATOM 16064 H1 TIP3 5114 65.728 76.648 63.369 1.00 0.00 WT1 H ATOM 16065 H2 TIP3 5114 64.826 77.534 64.201 1.00 0.00 WT1 H ATOM 16066 OH2 TIP3 5116 71.525 46.913 10.992 1.00 0.00 WT1 O ATOM 16067 H1 TIP3 5116 72.443 46.759 11.216 1.00 0.00 WT1 H ATOM 16068 H2 TIP3 5116 71.221 47.543 11.645 1.00 0.00 WT1 H ATOM 16069 OH2 TIP3 5117 23.122 78.126 37.989 1.00 0.00 WT1 O ATOM 16070 H1 TIP3 5117 23.105 77.275 37.551 1.00 0.00 WT1 H ATOM 16071 H2 TIP3 5117 22.828 78.745 37.321 1.00 0.00 WT1 H ATOM 16072 OH2 TIP3 5122 43.636 41.380 66.718 1.00 0.00 WT1 O ATOM 16073 H1 TIP3 5122 43.935 40.500 66.490 1.00 0.00 WT1 H ATOM 16074 H2 TIP3 5122 43.524 41.357 67.668 1.00 0.00 WT1 H ATOM 16075 OH2 TIP3 5124 34.094 38.136 -11.450 1.00 0.00 WT1 O ATOM 16076 H1 TIP3 5124 34.417 39.008 -11.679 1.00 0.00 WT1 H ATOM 16077 H2 TIP3 5124 34.879 37.590 -11.420 1.00 0.00 WT1 H ATOM 16078 OH2 TIP3 5125 27.860 54.203 52.343 1.00 0.00 WT1 O ATOM 16079 H1 TIP3 5125 27.831 54.567 51.459 1.00 0.00 WT1 H ATOM 16080 H2 TIP3 5125 28.503 54.741 52.804 1.00 0.00 WT1 H ATOM 16081 OH2 TIP3 5126 72.396 22.029 -13.029 1.00 0.00 WT1 O ATOM 16082 H1 TIP3 5126 72.891 21.623 -13.741 1.00 0.00 WT1 H ATOM 16083 H2 TIP3 5126 72.648 22.952 -13.059 1.00 0.00 WT1 H ATOM 16084 OH2 TIP3 5127 39.841 58.874 -2.309 1.00 0.00 WT1 O ATOM 16085 H1 TIP3 5127 40.546 59.359 -1.880 1.00 0.00 WT1 H ATOM 16086 H2 TIP3 5127 39.417 58.390 -1.599 1.00 0.00 WT1 H ATOM 16087 OH2 TIP3 5128 52.057 7.939 37.202 1.00 0.00 WT1 O ATOM 16088 H1 TIP3 5128 52.215 7.881 36.260 1.00 0.00 WT1 H ATOM 16089 H2 TIP3 5128 51.706 8.820 37.333 1.00 0.00 WT1 H ATOM 16090 OH2 TIP3 5129 82.529 86.548 8.817 1.00 0.00 WT1 O ATOM 16091 H1 TIP3 5129 83.302 87.064 8.587 1.00 0.00 WT1 H ATOM 16092 H2 TIP3 5129 82.603 85.755 8.287 1.00 0.00 WT1 H ATOM 16093 OH2 TIP3 5130 61.857 78.178 31.084 1.00 0.00 WT1 O ATOM 16094 H1 TIP3 5130 62.796 77.990 31.088 1.00 0.00 WT1 H ATOM 16095 H2 TIP3 5130 61.518 77.687 30.336 1.00 0.00 WT1 H ATOM 16096 OH2 TIP3 5131 37.450 13.681 51.795 1.00 0.00 WT1 O ATOM 16097 H1 TIP3 5131 37.716 14.556 51.513 1.00 0.00 WT1 H ATOM 16098 H2 TIP3 5131 38.214 13.334 52.256 1.00 0.00 WT1 H ATOM 16099 OH2 TIP3 5132 52.007 21.590 14.627 1.00 0.00 WT1 O ATOM 16100 H1 TIP3 5132 51.536 20.939 14.106 1.00 0.00 WT1 H ATOM 16101 H2 TIP3 5132 51.358 22.269 14.808 1.00 0.00 WT1 H ATOM 16102 OH2 TIP3 5133 26.028 39.779 4.804 1.00 0.00 WT1 O ATOM 16103 H1 TIP3 5133 25.804 39.119 5.461 1.00 0.00 WT1 H ATOM 16104 H2 TIP3 5133 26.876 39.498 4.460 1.00 0.00 WT1 H ATOM 16105 OH2 TIP3 5134 62.016 12.482 -17.162 1.00 0.00 WT1 O ATOM 16106 H1 TIP3 5134 61.725 11.818 -16.537 1.00 0.00 WT1 H ATOM 16107 H2 TIP3 5134 62.932 12.642 -16.933 1.00 0.00 WT1 H ATOM 16108 OH2 TIP3 5135 75.872 32.190 18.060 1.00 0.00 WT1 O ATOM 16109 H1 TIP3 5135 76.353 32.934 18.422 1.00 0.00 WT1 H ATOM 16110 H2 TIP3 5135 76.332 31.420 18.396 1.00 0.00 WT1 H ATOM 16111 OH2 TIP3 5138 55.699 38.240 -13.870 1.00 0.00 WT1 O ATOM 16112 H1 TIP3 5138 55.870 38.520 -12.971 1.00 0.00 WT1 H ATOM 16113 H2 TIP3 5138 55.977 37.325 -13.894 1.00 0.00 WT1 H ATOM 16114 OH2 TIP3 5143 30.999 65.449 34.458 1.00 0.00 WT1 O ATOM 16115 H1 TIP3 5143 30.799 65.151 33.571 1.00 0.00 WT1 H ATOM 16116 H2 TIP3 5143 31.852 65.061 34.655 1.00 0.00 WT1 H ATOM 16117 OH2 TIP3 5144 89.536 39.460 66.123 1.00 0.00 WT1 O ATOM 16118 H1 TIP3 5144 88.716 39.174 66.526 1.00 0.00 WT1 H ATOM 16119 H2 TIP3 5144 89.837 40.179 66.678 1.00 0.00 WT1 H ATOM 16120 OH2 TIP3 5146 54.164 62.547 -10.266 1.00 0.00 WT1 O ATOM 16121 H1 TIP3 5146 54.207 62.677 -9.319 1.00 0.00 WT1 H ATOM 16122 H2 TIP3 5146 53.272 62.240 -10.426 1.00 0.00 WT1 H ATOM 16123 OH2 TIP3 5147 46.442 35.807 49.505 1.00 0.00 WT1 O ATOM 16124 H1 TIP3 5147 45.892 36.521 49.183 1.00 0.00 WT1 H ATOM 16125 H2 TIP3 5147 47.276 35.923 49.051 1.00 0.00 WT1 H ATOM 16126 OH2 TIP3 5148 45.796 41.010 56.344 1.00 0.00 WT1 O ATOM 16127 H1 TIP3 5148 45.651 41.379 55.473 1.00 0.00 WT1 H ATOM 16128 H2 TIP3 5148 45.268 41.555 56.927 1.00 0.00 WT1 H ATOM 16129 OH2 TIP3 5149 84.700 37.687 -19.827 1.00 0.00 WT1 O ATOM 16130 H1 TIP3 5149 84.029 37.924 -20.468 1.00 0.00 WT1 H ATOM 16131 H2 TIP3 5149 84.571 38.302 -19.105 1.00 0.00 WT1 H ATOM 16132 OH2 TIP3 5151 80.827 2.751 -13.738 1.00 0.00 WT1 O ATOM 16133 H1 TIP3 5151 80.037 2.823 -14.274 1.00 0.00 WT1 H ATOM 16134 H2 TIP3 5151 81.508 3.181 -14.254 1.00 0.00 WT1 H ATOM 16135 OH2 TIP3 5152 41.039 71.545 -9.621 1.00 0.00 WT1 O ATOM 16136 H1 TIP3 5152 41.753 71.220 -9.073 1.00 0.00 WT1 H ATOM 16137 H2 TIP3 5152 40.258 71.453 -9.076 1.00 0.00 WT1 H ATOM 16138 OH2 TIP3 5154 21.189 30.971 8.585 1.00 0.00 WT1 O ATOM 16139 H1 TIP3 5154 22.118 31.182 8.492 1.00 0.00 WT1 H ATOM 16140 H2 TIP3 5154 21.169 30.022 8.709 1.00 0.00 WT1 H ATOM 16141 OH2 TIP3 5156 27.900 89.160 -3.190 1.00 0.00 WT1 O ATOM 16142 H1 TIP3 5156 28.579 89.302 -3.849 1.00 0.00 WT1 H ATOM 16143 H2 TIP3 5156 28.358 88.738 -2.462 1.00 0.00 WT1 H ATOM 16144 OH2 TIP3 5162 75.711 20.924 63.620 1.00 0.00 WT1 O ATOM 16145 H1 TIP3 5162 75.520 21.063 62.692 1.00 0.00 WT1 H ATOM 16146 H2 TIP3 5162 76.661 21.017 63.686 1.00 0.00 WT1 H ATOM 16147 OH2 TIP3 5163 21.588 20.300 43.570 1.00 0.00 WT1 O ATOM 16148 H1 TIP3 5163 22.149 19.637 43.166 1.00 0.00 WT1 H ATOM 16149 H2 TIP3 5163 20.700 19.956 43.471 1.00 0.00 WT1 H ATOM 16150 OH2 TIP3 5164 46.606 69.667 27.098 1.00 0.00 WT1 O ATOM 16151 H1 TIP3 5164 47.105 69.692 27.915 1.00 0.00 WT1 H ATOM 16152 H2 TIP3 5164 47.247 69.879 26.419 1.00 0.00 WT1 H ATOM 16153 OH2 TIP3 5165 53.930 18.937 60.134 1.00 0.00 WT1 O ATOM 16154 H1 TIP3 5165 53.483 18.191 60.536 1.00 0.00 WT1 H ATOM 16155 H2 TIP3 5165 53.252 19.608 60.053 1.00 0.00 WT1 H ATOM 16156 OH2 TIP3 5166 83.177 85.499 -6.951 1.00 0.00 WT1 O ATOM 16157 H1 TIP3 5166 83.930 85.462 -6.362 1.00 0.00 WT1 H ATOM 16158 H2 TIP3 5166 82.571 86.108 -6.527 1.00 0.00 WT1 H ATOM 16159 OH2 TIP3 5167 64.631 21.920 -13.755 1.00 0.00 WT1 O ATOM 16160 H1 TIP3 5167 63.995 21.496 -14.331 1.00 0.00 WT1 H ATOM 16161 H2 TIP3 5167 64.190 22.715 -13.455 1.00 0.00 WT1 H ATOM 16162 OH2 TIP3 5168 76.930 11.920 39.498 1.00 0.00 WT1 O ATOM 16163 H1 TIP3 5168 77.363 11.066 39.490 1.00 0.00 WT1 H ATOM 16164 H2 TIP3 5168 77.565 12.515 39.098 1.00 0.00 WT1 H ATOM 16165 OH2 TIP3 5169 61.658 25.335 59.569 1.00 0.00 WT1 O ATOM 16166 H1 TIP3 5169 60.724 25.142 59.651 1.00 0.00 WT1 H ATOM 16167 H2 TIP3 5169 61.724 26.276 59.729 1.00 0.00 WT1 H ATOM 16168 OH2 TIP3 5170 20.621 38.563 50.048 1.00 0.00 WT1 O ATOM 16169 H1 TIP3 5170 20.965 39.088 50.772 1.00 0.00 WT1 H ATOM 16170 H2 TIP3 5170 20.124 39.185 49.516 1.00 0.00 WT1 H ATOM 16171 OH2 TIP3 5171 26.081 16.658 8.649 1.00 0.00 WT1 O ATOM 16172 H1 TIP3 5171 25.135 16.517 8.608 1.00 0.00 WT1 H ATOM 16173 H2 TIP3 5171 26.444 16.035 8.020 1.00 0.00 WT1 H ATOM 16174 OH2 TIP3 5172 28.054 45.421 22.357 1.00 0.00 WT1 O ATOM 16175 H1 TIP3 5172 28.917 45.459 22.768 1.00 0.00 WT1 H ATOM 16176 H2 TIP3 5172 28.062 44.606 21.856 1.00 0.00 WT1 H ATOM 16177 OH2 TIP3 5173 31.981 52.556 9.537 1.00 0.00 WT1 O ATOM 16178 H1 TIP3 5173 32.270 53.432 9.793 1.00 0.00 WT1 H ATOM 16179 H2 TIP3 5173 32.692 51.978 9.813 1.00 0.00 WT1 H ATOM 16180 OH2 TIP3 5174 87.475 94.114 -19.389 1.00 0.00 WT1 O ATOM 16181 H1 TIP3 5174 87.090 94.923 -19.051 1.00 0.00 WT1 H ATOM 16182 H2 TIP3 5174 87.903 93.716 -18.631 1.00 0.00 WT1 H ATOM 16183 OH2 TIP3 5175 67.760 45.977 27.085 1.00 0.00 WT1 O ATOM 16184 H1 TIP3 5175 68.010 45.100 26.793 1.00 0.00 WT1 H ATOM 16185 H2 TIP3 5175 66.983 46.190 26.569 1.00 0.00 WT1 H ATOM 16186 OH2 TIP3 5176 32.551 49.514 27.253 1.00 0.00 WT1 O ATOM 16187 H1 TIP3 5176 31.885 49.038 27.750 1.00 0.00 WT1 H ATOM 16188 H2 TIP3 5176 33.251 49.679 27.885 1.00 0.00 WT1 H ATOM 16189 OH2 TIP3 5180 53.917 50.874 22.312 1.00 0.00 WT1 O ATOM 16190 H1 TIP3 5180 54.037 50.086 21.781 1.00 0.00 WT1 H ATOM 16191 H2 TIP3 5180 53.343 51.432 21.787 1.00 0.00 WT1 H ATOM 16192 OH2 TIP3 5185 27.234 47.688 40.022 1.00 0.00 WT1 O ATOM 16193 H1 TIP3 5185 27.685 47.984 40.813 1.00 0.00 WT1 H ATOM 16194 H2 TIP3 5185 27.080 46.754 40.169 1.00 0.00 WT1 H ATOM 16195 OH2 TIP3 5186 50.474 51.817 -15.439 1.00 0.00 WT1 O ATOM 16196 H1 TIP3 5186 51.087 52.211 -16.060 1.00 0.00 WT1 H ATOM 16197 H2 TIP3 5186 50.949 51.804 -14.608 1.00 0.00 WT1 H ATOM 16198 OH2 TIP3 5187 78.148 28.575 45.417 1.00 0.00 WT1 O ATOM 16199 H1 TIP3 5187 79.102 28.650 45.391 1.00 0.00 WT1 H ATOM 16200 H2 TIP3 5187 77.868 28.762 44.520 1.00 0.00 WT1 H ATOM 16201 OH2 TIP3 5188 25.913 8.551 -5.533 1.00 0.00 WT1 O ATOM 16202 H1 TIP3 5188 25.001 8.829 -5.453 1.00 0.00 WT1 H ATOM 16203 H2 TIP3 5188 26.085 8.061 -4.728 1.00 0.00 WT1 H ATOM 16204 OH2 TIP3 5189 53.416 67.365 -14.132 1.00 0.00 WT1 O ATOM 16205 H1 TIP3 5189 53.216 66.609 -13.581 1.00 0.00 WT1 H ATOM 16206 H2 TIP3 5189 54.359 67.310 -14.283 1.00 0.00 WT1 H ATOM 16207 OH2 TIP3 5190 44.145 39.240 -10.774 1.00 0.00 WT1 O ATOM 16208 H1 TIP3 5190 45.079 39.130 -10.596 1.00 0.00 WT1 H ATOM 16209 H2 TIP3 5190 43.737 39.274 -9.909 1.00 0.00 WT1 H ATOM 16210 OH2 TIP3 5191 21.527 81.934 22.745 1.00 0.00 WT1 O ATOM 16211 H1 TIP3 5191 21.117 81.073 22.662 1.00 0.00 WT1 H ATOM 16212 H2 TIP3 5191 21.088 82.338 23.493 1.00 0.00 WT1 H ATOM 16213 OH2 TIP3 5192 88.799 63.990 38.151 1.00 0.00 WT1 O ATOM 16214 H1 TIP3 5192 89.171 64.872 38.129 1.00 0.00 WT1 H ATOM 16215 H2 TIP3 5192 89.146 63.564 37.368 1.00 0.00 WT1 H ATOM 16216 OH2 TIP3 5193 55.040 22.578 2.691 1.00 0.00 WT1 O ATOM 16217 H1 TIP3 5193 55.515 22.961 3.428 1.00 0.00 WT1 H ATOM 16218 H2 TIP3 5193 54.533 21.864 3.077 1.00 0.00 WT1 H ATOM 16219 OH2 TIP3 5194 83.299 80.227 1.903 1.00 0.00 WT1 O ATOM 16220 H1 TIP3 5194 83.848 79.452 1.784 1.00 0.00 WT1 H ATOM 16221 H2 TIP3 5194 82.864 80.344 1.058 1.00 0.00 WT1 H ATOM 16222 OH2 TIP3 5196 34.900 24.831 19.466 1.00 0.00 WT1 O ATOM 16223 H1 TIP3 5196 34.096 25.248 19.155 1.00 0.00 WT1 H ATOM 16224 H2 TIP3 5196 35.046 24.106 18.858 1.00 0.00 WT1 H ATOM 16225 OH2 TIP3 5199 46.383 58.604 17.403 1.00 0.00 WT1 O ATOM 16226 H1 TIP3 5199 46.328 58.358 18.326 1.00 0.00 WT1 H ATOM 16227 H2 TIP3 5199 47.178 59.135 17.343 1.00 0.00 WT1 H ATOM 16228 OH2 TIP3 5202 60.203 63.697 23.614 1.00 0.00 WT1 O ATOM 16229 H1 TIP3 5202 60.021 63.157 22.845 1.00 0.00 WT1 H ATOM 16230 H2 TIP3 5202 59.434 64.261 23.698 1.00 0.00 WT1 H ATOM 16231 OH2 TIP3 5205 28.811 21.868 10.158 1.00 0.00 WT1 O ATOM 16232 H1 TIP3 5205 28.350 21.032 10.092 1.00 0.00 WT1 H ATOM 16233 H2 TIP3 5205 29.638 21.723 9.699 1.00 0.00 WT1 H ATOM 16234 OH2 TIP3 5206 25.029 60.312 61.229 1.00 0.00 WT1 O ATOM 16235 H1 TIP3 5206 25.485 60.457 62.058 1.00 0.00 WT1 H ATOM 16236 H2 TIP3 5206 24.566 61.133 61.062 1.00 0.00 WT1 H ATOM 16237 OH2 TIP3 5207 54.025 24.838 -1.475 1.00 0.00 WT1 O ATOM 16238 H1 TIP3 5207 53.654 25.630 -1.864 1.00 0.00 WT1 H ATOM 16239 H2 TIP3 5207 53.584 24.757 -0.629 1.00 0.00 WT1 H ATOM 16240 OH2 TIP3 5209 81.492 75.920 27.879 1.00 0.00 WT1 O ATOM 16241 H1 TIP3 5209 81.315 75.167 27.316 1.00 0.00 WT1 H ATOM 16242 H2 TIP3 5209 81.297 75.609 28.763 1.00 0.00 WT1 H ATOM 16243 OH2 TIP3 5211 72.654 87.129 -9.629 1.00 0.00 WT1 O ATOM 16244 H1 TIP3 5211 73.594 87.031 -9.779 1.00 0.00 WT1 H ATOM 16245 H2 TIP3 5211 72.287 87.292 -10.498 1.00 0.00 WT1 H ATOM 16246 OH2 TIP3 5212 63.327 56.666 58.191 1.00 0.00 WT1 O ATOM 16247 H1 TIP3 5212 62.812 57.177 58.815 1.00 0.00 WT1 H ATOM 16248 H2 TIP3 5212 62.746 56.548 57.439 1.00 0.00 WT1 H ATOM 16249 OH2 TIP3 5213 54.163 91.632 62.016 1.00 0.00 WT1 O ATOM 16250 H1 TIP3 5213 55.020 91.927 61.708 1.00 0.00 WT1 H ATOM 16251 H2 TIP3 5213 54.164 90.688 61.863 1.00 0.00 WT1 H ATOM 16252 OH2 TIP3 5214 79.642 90.040 57.158 1.00 0.00 WT1 O ATOM 16253 H1 TIP3 5214 79.711 90.275 56.233 1.00 0.00 WT1 H ATOM 16254 H2 TIP3 5214 80.492 90.278 57.530 1.00 0.00 WT1 H ATOM 16255 OH2 TIP3 5216 47.751 73.730 -13.238 1.00 0.00 WT1 O ATOM 16256 H1 TIP3 5216 46.987 73.316 -13.641 1.00 0.00 WT1 H ATOM 16257 H2 TIP3 5216 48.167 74.211 -13.953 1.00 0.00 WT1 H ATOM 16258 OH2 TIP3 5219 84.260 93.173 5.847 1.00 0.00 WT1 O ATOM 16259 H1 TIP3 5219 83.857 92.428 5.401 1.00 0.00 WT1 H ATOM 16260 H2 TIP3 5219 85.057 92.815 6.238 1.00 0.00 WT1 H ATOM 16261 OH2 TIP3 5226 28.823 71.916 19.531 1.00 0.00 WT1 O ATOM 16262 H1 TIP3 5226 29.389 71.231 19.886 1.00 0.00 WT1 H ATOM 16263 H2 TIP3 5226 27.939 71.554 19.594 1.00 0.00 WT1 H ATOM 16264 OH2 TIP3 5230 45.890 51.082 65.876 1.00 0.00 WT1 O ATOM 16265 H1 TIP3 5230 45.811 50.281 65.357 1.00 0.00 WT1 H ATOM 16266 H2 TIP3 5230 45.866 51.789 65.231 1.00 0.00 WT1 H ATOM 16267 OH2 TIP3 5231 87.303 64.156 3.833 1.00 0.00 WT1 O ATOM 16268 H1 TIP3 5231 87.442 63.501 4.517 1.00 0.00 WT1 H ATOM 16269 H2 TIP3 5231 87.035 64.944 4.306 1.00 0.00 WT1 H ATOM 16270 OH2 TIP3 5233 70.187 44.397 1.553 1.00 0.00 WT1 O ATOM 16271 H1 TIP3 5233 70.581 45.183 1.175 1.00 0.00 WT1 H ATOM 16272 H2 TIP3 5233 70.788 44.140 2.252 1.00 0.00 WT1 H ATOM 16273 OH2 TIP3 5236 46.172 53.717 22.053 1.00 0.00 WT1 O ATOM 16274 H1 TIP3 5236 46.958 53.968 21.568 1.00 0.00 WT1 H ATOM 16275 H2 TIP3 5236 46.198 54.254 22.845 1.00 0.00 WT1 H ATOM 16276 OH2 TIP3 5239 34.326 13.656 44.785 1.00 0.00 WT1 O ATOM 16277 H1 TIP3 5239 34.334 13.130 43.985 1.00 0.00 WT1 H ATOM 16278 H2 TIP3 5239 35.225 13.614 45.109 1.00 0.00 WT1 H ATOM 16279 OH2 TIP3 5241 21.497 11.602 9.906 1.00 0.00 WT1 O ATOM 16280 H1 TIP3 5241 22.364 11.814 9.561 1.00 0.00 WT1 H ATOM 16281 H2 TIP3 5241 21.403 12.158 10.679 1.00 0.00 WT1 H ATOM 16282 OH2 TIP3 5243 79.079 90.207 7.433 1.00 0.00 WT1 O ATOM 16283 H1 TIP3 5243 78.847 90.587 6.586 1.00 0.00 WT1 H ATOM 16284 H2 TIP3 5243 78.988 89.263 7.305 1.00 0.00 WT1 H ATOM 16285 OH2 TIP3 5246 61.302 50.194 25.161 1.00 0.00 WT1 O ATOM 16286 H1 TIP3 5246 60.783 49.924 25.918 1.00 0.00 WT1 H ATOM 16287 H2 TIP3 5246 60.656 50.484 24.518 1.00 0.00 WT1 H ATOM 16288 OH2 TIP3 5247 57.572 42.787 33.030 1.00 0.00 WT1 O ATOM 16289 H1 TIP3 5247 56.806 43.332 32.850 1.00 0.00 WT1 H ATOM 16290 H2 TIP3 5247 58.259 43.146 32.468 1.00 0.00 WT1 H ATOM 16291 OH2 TIP3 5251 56.016 32.196 3.600 1.00 0.00 WT1 O ATOM 16292 H1 TIP3 5251 55.451 32.328 4.361 1.00 0.00 WT1 H ATOM 16293 H2 TIP3 5251 55.594 32.695 2.900 1.00 0.00 WT1 H ATOM 16294 OH2 TIP3 5252 52.162 69.531 28.287 1.00 0.00 WT1 O ATOM 16295 H1 TIP3 5252 51.569 69.165 27.631 1.00 0.00 WT1 H ATOM 16296 H2 TIP3 5252 52.308 68.814 28.905 1.00 0.00 WT1 H ATOM 16297 OH2 TIP3 5253 85.371 70.444 38.997 1.00 0.00 WT1 O ATOM 16298 H1 TIP3 5253 86.256 70.807 39.044 1.00 0.00 WT1 H ATOM 16299 H2 TIP3 5253 85.501 69.516 38.805 1.00 0.00 WT1 H ATOM 16300 OH2 TIP3 5254 58.294 67.958 44.224 1.00 0.00 WT1 O ATOM 16301 H1 TIP3 5254 57.728 68.503 43.678 1.00 0.00 WT1 H ATOM 16302 H2 TIP3 5254 58.542 67.227 43.658 1.00 0.00 WT1 H ATOM 16303 OH2 TIP3 5255 44.868 38.180 66.258 1.00 0.00 WT1 O ATOM 16304 H1 TIP3 5255 45.451 38.350 65.518 1.00 0.00 WT1 H ATOM 16305 H2 TIP3 5255 45.326 38.548 67.013 1.00 0.00 WT1 H ATOM 16306 OH2 TIP3 5259 59.070 22.845 -13.854 1.00 0.00 WT1 O ATOM 16307 H1 TIP3 5259 58.977 23.614 -14.416 1.00 0.00 WT1 H ATOM 16308 H2 TIP3 5259 59.824 22.376 -14.211 1.00 0.00 WT1 H ATOM 16309 OH2 TIP3 5260 43.888 74.375 17.828 1.00 0.00 WT1 O ATOM 16310 H1 TIP3 5260 44.137 73.502 18.131 1.00 0.00 WT1 H ATOM 16311 H2 TIP3 5260 44.373 74.493 17.011 1.00 0.00 WT1 H ATOM 16312 OH2 TIP3 5264 41.086 27.358 16.974 1.00 0.00 WT1 O ATOM 16313 H1 TIP3 5264 41.373 26.924 17.778 1.00 0.00 WT1 H ATOM 16314 H2 TIP3 5264 40.831 28.237 17.254 1.00 0.00 WT1 H ATOM 16315 OH2 TIP3 5266 46.966 29.614 33.222 1.00 0.00 WT1 O ATOM 16316 H1 TIP3 5266 47.726 29.438 32.668 1.00 0.00 WT1 H ATOM 16317 H2 TIP3 5266 47.280 30.249 33.865 1.00 0.00 WT1 H ATOM 16318 OH2 TIP3 5267 55.465 84.907 9.807 1.00 0.00 WT1 O ATOM 16319 H1 TIP3 5267 54.688 85.109 9.284 1.00 0.00 WT1 H ATOM 16320 H2 TIP3 5267 55.950 85.731 9.842 1.00 0.00 WT1 H ATOM 16321 OH2 TIP3 5268 41.621 33.470 46.323 1.00 0.00 WT1 O ATOM 16322 H1 TIP3 5268 42.201 33.735 47.037 1.00 0.00 WT1 H ATOM 16323 H2 TIP3 5268 41.997 33.878 45.543 1.00 0.00 WT1 H ATOM 16324 OH2 TIP3 5269 50.602 54.638 18.127 1.00 0.00 WT1 O ATOM 16325 H1 TIP3 5269 50.971 53.767 17.980 1.00 0.00 WT1 H ATOM 16326 H2 TIP3 5269 49.756 54.619 17.681 1.00 0.00 WT1 H ATOM 16327 OH2 TIP3 5270 56.095 48.041 -12.606 1.00 0.00 WT1 O ATOM 16328 H1 TIP3 5270 55.464 47.779 -11.936 1.00 0.00 WT1 H ATOM 16329 H2 TIP3 5270 56.372 47.218 -13.009 1.00 0.00 WT1 H ATOM 16330 OH2 TIP3 5271 30.743 11.607 49.939 1.00 0.00 WT1 O ATOM 16331 H1 TIP3 5271 31.181 10.757 49.977 1.00 0.00 WT1 H ATOM 16332 H2 TIP3 5271 31.442 12.244 50.083 1.00 0.00 WT1 H ATOM 16333 OH2 TIP3 5272 53.745 82.379 9.774 1.00 0.00 WT1 O ATOM 16334 H1 TIP3 5272 54.687 82.530 9.849 1.00 0.00 WT1 H ATOM 16335 H2 TIP3 5272 53.368 82.838 10.525 1.00 0.00 WT1 H ATOM 16336 OH2 TIP3 5273 61.635 5.592 43.662 1.00 0.00 WT1 O ATOM 16337 H1 TIP3 5273 61.369 4.970 44.340 1.00 0.00 WT1 H ATOM 16338 H2 TIP3 5273 62.550 5.788 43.863 1.00 0.00 WT1 H ATOM 16339 OH2 TIP3 5274 44.616 4.411 -9.519 1.00 0.00 WT1 O ATOM 16340 H1 TIP3 5274 43.748 4.092 -9.271 1.00 0.00 WT1 H ATOM 16341 H2 TIP3 5274 44.730 4.117 -10.423 1.00 0.00 WT1 H ATOM 16342 OH2 TIP3 5275 53.631 62.923 41.788 1.00 0.00 WT1 O ATOM 16343 H1 TIP3 5275 53.371 62.488 40.977 1.00 0.00 WT1 H ATOM 16344 H2 TIP3 5275 54.499 62.569 41.983 1.00 0.00 WT1 H ATOM 16345 OH2 TIP3 5276 66.960 61.667 -13.893 1.00 0.00 WT1 O ATOM 16346 H1 TIP3 5276 67.319 60.782 -13.819 1.00 0.00 WT1 H ATOM 16347 H2 TIP3 5276 66.415 61.771 -13.113 1.00 0.00 WT1 H ATOM 16348 OH2 TIP3 5277 49.044 63.503 62.017 1.00 0.00 WT1 O ATOM 16349 H1 TIP3 5277 49.444 63.346 61.161 1.00 0.00 WT1 H ATOM 16350 H2 TIP3 5277 48.875 64.445 62.034 1.00 0.00 WT1 H ATOM 16351 OH2 TIP3 5278 41.157 63.033 10.081 1.00 0.00 WT1 O ATOM 16352 H1 TIP3 5278 42.050 62.704 9.987 1.00 0.00 WT1 H ATOM 16353 H2 TIP3 5278 41.264 63.940 10.369 1.00 0.00 WT1 H ATOM 16354 OH2 TIP3 5280 27.868 64.441 22.101 1.00 0.00 WT1 O ATOM 16355 H1 TIP3 5280 28.686 63.944 22.063 1.00 0.00 WT1 H ATOM 16356 H2 TIP3 5280 27.605 64.399 23.020 1.00 0.00 WT1 H ATOM 16357 OH2 TIP3 5283 62.494 64.383 43.985 1.00 0.00 WT1 O ATOM 16358 H1 TIP3 5283 63.427 64.269 43.806 1.00 0.00 WT1 H ATOM 16359 H2 TIP3 5283 62.156 63.491 44.071 1.00 0.00 WT1 H ATOM 16360 OH2 TIP3 5284 36.657 5.541 18.789 1.00 0.00 WT1 O ATOM 16361 H1 TIP3 5284 37.297 5.619 19.496 1.00 0.00 WT1 H ATOM 16362 H2 TIP3 5284 36.420 6.445 18.580 1.00 0.00 WT1 H ATOM 16363 OH2 TIP3 5286 37.316 21.732 -5.392 1.00 0.00 WT1 O ATOM 16364 H1 TIP3 5286 37.118 22.533 -5.876 1.00 0.00 WT1 H ATOM 16365 H2 TIP3 5286 37.971 21.284 -5.927 1.00 0.00 WT1 H ATOM 16366 OH2 TIP3 5288 49.300 81.481 46.552 1.00 0.00 WT1 O ATOM 16367 H1 TIP3 5288 49.985 81.209 45.941 1.00 0.00 WT1 H ATOM 16368 H2 TIP3 5288 49.119 80.699 47.073 1.00 0.00 WT1 H ATOM 16369 OH2 TIP3 5289 51.875 84.889 -14.832 1.00 0.00 WT1 O ATOM 16370 H1 TIP3 5289 52.734 85.289 -14.694 1.00 0.00 WT1 H ATOM 16371 H2 TIP3 5289 51.950 84.019 -14.439 1.00 0.00 WT1 H ATOM 16372 OH2 TIP3 5292 32.803 10.075 65.291 1.00 0.00 WT1 O ATOM 16373 H1 TIP3 5292 32.808 9.863 66.225 1.00 0.00 WT1 H ATOM 16374 H2 TIP3 5292 32.316 9.358 64.885 1.00 0.00 WT1 H ATOM 16375 OH2 TIP3 5293 70.278 55.820 -4.718 1.00 0.00 WT1 O ATOM 16376 H1 TIP3 5293 71.170 55.648 -5.020 1.00 0.00 WT1 H ATOM 16377 H2 TIP3 5293 70.374 56.016 -3.786 1.00 0.00 WT1 H ATOM 16378 OH2 TIP3 5294 75.803 90.998 13.761 1.00 0.00 WT1 O ATOM 16379 H1 TIP3 5294 76.590 90.455 13.733 1.00 0.00 WT1 H ATOM 16380 H2 TIP3 5294 75.316 90.678 14.520 1.00 0.00 WT1 H ATOM 16381 OH2 TIP3 5295 58.446 33.435 -19.610 1.00 0.00 WT1 O ATOM 16382 H1 TIP3 5295 57.515 33.217 -19.661 1.00 0.00 WT1 H ATOM 16383 H2 TIP3 5295 58.556 34.163 -20.222 1.00 0.00 WT1 H ATOM 16384 OH2 TIP3 5296 59.755 14.586 45.813 1.00 0.00 WT1 O ATOM 16385 H1 TIP3 5296 60.446 14.727 46.460 1.00 0.00 WT1 H ATOM 16386 H2 TIP3 5296 59.811 13.654 45.602 1.00 0.00 WT1 H ATOM 16387 OH2 TIP3 5297 56.113 58.407 -2.090 1.00 0.00 WT1 O ATOM 16388 H1 TIP3 5297 55.856 58.848 -1.280 1.00 0.00 WT1 H ATOM 16389 H2 TIP3 5297 56.782 57.779 -1.820 1.00 0.00 WT1 H ATOM 16390 OH2 TIP3 5298 25.318 61.345 27.405 1.00 0.00 WT1 O ATOM 16391 H1 TIP3 5298 25.621 62.224 27.631 1.00 0.00 WT1 H ATOM 16392 H2 TIP3 5298 26.087 60.915 27.032 1.00 0.00 WT1 H ATOM 16393 OH2 TIP3 5300 83.087 48.024 12.879 1.00 0.00 WT1 O ATOM 16394 H1 TIP3 5300 82.332 48.130 13.457 1.00 0.00 WT1 H ATOM 16395 H2 TIP3 5300 83.677 48.739 13.120 1.00 0.00 WT1 H ATOM 16396 OH2 TIP3 5301 47.220 87.265 62.224 1.00 0.00 WT1 O ATOM 16397 H1 TIP3 5301 47.443 87.762 61.437 1.00 0.00 WT1 H ATOM 16398 H2 TIP3 5301 47.691 87.708 62.930 1.00 0.00 WT1 H ATOM 16399 OH2 TIP3 5302 62.158 84.853 19.943 1.00 0.00 WT1 O ATOM 16400 H1 TIP3 5302 62.179 84.727 20.892 1.00 0.00 WT1 H ATOM 16401 H2 TIP3 5302 61.873 84.009 19.595 1.00 0.00 WT1 H ATOM 16402 OH2 TIP3 5304 62.427 83.558 29.250 1.00 0.00 WT1 O ATOM 16403 H1 TIP3 5304 61.501 83.787 29.163 1.00 0.00 WT1 H ATOM 16404 H2 TIP3 5304 62.564 82.867 28.602 1.00 0.00 WT1 H ATOM 16405 OH2 TIP3 5305 70.909 30.082 -9.915 1.00 0.00 WT1 O ATOM 16406 H1 TIP3 5305 71.805 30.417 -9.880 1.00 0.00 WT1 H ATOM 16407 H2 TIP3 5305 70.926 29.293 -9.374 1.00 0.00 WT1 H ATOM 16408 OH2 TIP3 5306 43.657 5.391 22.748 1.00 0.00 WT1 O ATOM 16409 H1 TIP3 5306 43.227 5.828 23.483 1.00 0.00 WT1 H ATOM 16410 H2 TIP3 5306 43.190 4.561 22.656 1.00 0.00 WT1 H ATOM 16411 OH2 TIP3 5309 75.153 10.313 6.757 1.00 0.00 WT1 O ATOM 16412 H1 TIP3 5309 74.473 9.986 6.169 1.00 0.00 WT1 H ATOM 16413 H2 TIP3 5309 75.249 11.236 6.523 1.00 0.00 WT1 H ATOM 16414 OH2 TIP3 5311 46.998 8.538 1.083 1.00 0.00 WT1 O ATOM 16415 H1 TIP3 5311 46.238 8.193 0.613 1.00 0.00 WT1 H ATOM 16416 H2 TIP3 5311 46.902 8.201 1.974 1.00 0.00 WT1 H ATOM 16417 OH2 TIP3 5313 69.075 5.353 7.796 1.00 0.00 WT1 O ATOM 16418 H1 TIP3 5313 68.769 4.662 7.209 1.00 0.00 WT1 H ATOM 16419 H2 TIP3 5313 69.694 4.915 8.380 1.00 0.00 WT1 H ATOM 16420 OH2 TIP3 5314 39.829 87.739 -16.265 1.00 0.00 WT1 O ATOM 16421 H1 TIP3 5314 39.575 87.024 -15.681 1.00 0.00 WT1 H ATOM 16422 H2 TIP3 5314 39.908 87.328 -17.126 1.00 0.00 WT1 H ATOM 16423 OH2 TIP3 5315 65.937 70.921 54.013 1.00 0.00 WT1 O ATOM 16424 H1 TIP3 5315 66.013 70.716 53.081 1.00 0.00 WT1 H ATOM 16425 H2 TIP3 5315 65.616 71.822 54.036 1.00 0.00 WT1 H ATOM 16426 OH2 TIP3 5316 69.701 62.107 10.573 1.00 0.00 WT1 O ATOM 16427 H1 TIP3 5316 69.651 61.366 11.177 1.00 0.00 WT1 H ATOM 16428 H2 TIP3 5316 69.694 61.708 9.703 1.00 0.00 WT1 H ATOM 16429 OH2 TIP3 5317 69.340 17.624 59.141 1.00 0.00 WT1 O ATOM 16430 H1 TIP3 5317 68.540 17.600 58.615 1.00 0.00 WT1 H ATOM 16431 H2 TIP3 5317 70.045 17.718 58.501 1.00 0.00 WT1 H ATOM 16432 OH2 TIP3 5318 80.641 11.427 -10.143 1.00 0.00 WT1 O ATOM 16433 H1 TIP3 5318 81.367 10.832 -10.327 1.00 0.00 WT1 H ATOM 16434 H2 TIP3 5318 79.895 11.045 -10.606 1.00 0.00 WT1 H ATOM 16435 OH2 TIP3 5319 41.064 88.799 53.166 1.00 0.00 WT1 O ATOM 16436 H1 TIP3 5319 40.788 87.994 53.606 1.00 0.00 WT1 H ATOM 16437 H2 TIP3 5319 40.273 89.117 52.731 1.00 0.00 WT1 H ATOM 16438 OH2 TIP3 5320 64.713 78.434 24.848 1.00 0.00 WT1 O ATOM 16439 H1 TIP3 5320 64.599 77.484 24.842 1.00 0.00 WT1 H ATOM 16440 H2 TIP3 5320 63.822 78.783 24.846 1.00 0.00 WT1 H ATOM 16441 OH2 TIP3 5322 41.010 93.896 2.265 1.00 0.00 WT1 O ATOM 16442 H1 TIP3 5322 40.654 93.029 2.073 1.00 0.00 WT1 H ATOM 16443 H2 TIP3 5322 40.807 94.039 3.190 1.00 0.00 WT1 H ATOM 16444 OH2 TIP3 5323 30.545 5.845 39.390 1.00 0.00 WT1 O ATOM 16445 H1 TIP3 5323 31.233 6.447 39.107 1.00 0.00 WT1 H ATOM 16446 H2 TIP3 5323 30.587 5.121 38.765 1.00 0.00 WT1 H ATOM 16447 OH2 TIP3 5325 37.674 24.627 30.608 1.00 0.00 WT1 O ATOM 16448 H1 TIP3 5325 38.334 25.314 30.518 1.00 0.00 WT1 H ATOM 16449 H2 TIP3 5325 37.859 24.021 29.891 1.00 0.00 WT1 H ATOM 16450 OH2 TIP3 5326 45.025 73.154 6.868 1.00 0.00 WT1 O ATOM 16451 H1 TIP3 5326 45.959 73.127 6.660 1.00 0.00 WT1 H ATOM 16452 H2 TIP3 5326 44.976 72.894 7.789 1.00 0.00 WT1 H ATOM 16453 OH2 TIP3 5327 80.274 23.212 2.282 1.00 0.00 WT1 O ATOM 16454 H1 TIP3 5327 80.644 23.348 3.154 1.00 0.00 WT1 H ATOM 16455 H2 TIP3 5327 80.408 24.046 1.831 1.00 0.00 WT1 H ATOM 16456 OH2 TIP3 5328 62.491 53.553 -11.242 1.00 0.00 WT1 O ATOM 16457 H1 TIP3 5328 61.710 53.007 -11.326 1.00 0.00 WT1 H ATOM 16458 H2 TIP3 5328 62.403 53.967 -10.383 1.00 0.00 WT1 H ATOM 16459 OH2 TIP3 5330 50.581 92.263 54.718 1.00 0.00 WT1 O ATOM 16460 H1 TIP3 5330 50.192 91.634 55.326 1.00 0.00 WT1 H ATOM 16461 H2 TIP3 5330 50.102 92.134 53.899 1.00 0.00 WT1 H ATOM 16462 OH2 TIP3 5331 40.703 82.914 -8.569 1.00 0.00 WT1 O ATOM 16463 H1 TIP3 5331 40.685 82.692 -7.638 1.00 0.00 WT1 H ATOM 16464 H2 TIP3 5331 41.453 82.430 -8.916 1.00 0.00 WT1 H ATOM 16465 OH2 TIP3 5333 43.758 27.670 60.791 1.00 0.00 WT1 O ATOM 16466 H1 TIP3 5333 43.033 27.870 60.199 1.00 0.00 WT1 H ATOM 16467 H2 TIP3 5333 44.152 26.877 60.428 1.00 0.00 WT1 H ATOM 16468 OH2 TIP3 5334 59.429 92.686 17.951 1.00 0.00 WT1 O ATOM 16469 H1 TIP3 5334 59.969 92.835 17.175 1.00 0.00 WT1 H ATOM 16470 H2 TIP3 5334 58.689 92.170 17.633 1.00 0.00 WT1 H ATOM 16471 OH2 TIP3 5335 44.992 69.311 63.224 1.00 0.00 WT1 O ATOM 16472 H1 TIP3 5335 45.103 70.184 62.847 1.00 0.00 WT1 H ATOM 16473 H2 TIP3 5335 44.060 69.256 63.432 1.00 0.00 WT1 H ATOM 16474 OH2 TIP3 5336 64.051 44.614 6.371 1.00 0.00 WT1 O ATOM 16475 H1 TIP3 5336 64.381 43.824 6.800 1.00 0.00 WT1 H ATOM 16476 H2 TIP3 5336 63.542 45.060 7.049 1.00 0.00 WT1 H ATOM 16477 OH2 TIP3 5338 49.899 7.860 51.394 1.00 0.00 WT1 O ATOM 16478 H1 TIP3 5338 49.648 8.057 50.492 1.00 0.00 WT1 H ATOM 16479 H2 TIP3 5338 50.177 6.944 51.371 1.00 0.00 WT1 H ATOM 16480 OH2 TIP3 5339 52.980 20.804 47.022 1.00 0.00 WT1 O ATOM 16481 H1 TIP3 5339 52.024 20.854 47.029 1.00 0.00 WT1 H ATOM 16482 H2 TIP3 5339 53.176 19.904 47.282 1.00 0.00 WT1 H ATOM 16483 OH2 TIP3 5340 82.859 37.651 64.254 1.00 0.00 WT1 O ATOM 16484 H1 TIP3 5340 83.748 37.652 63.901 1.00 0.00 WT1 H ATOM 16485 H2 TIP3 5340 82.492 38.493 63.985 1.00 0.00 WT1 H ATOM 16486 OH2 TIP3 5341 56.643 30.786 53.392 1.00 0.00 WT1 O ATOM 16487 H1 TIP3 5341 56.567 31.336 54.171 1.00 0.00 WT1 H ATOM 16488 H2 TIP3 5341 56.765 31.404 52.671 1.00 0.00 WT1 H ATOM 16489 OH2 TIP3 5342 34.191 20.462 60.627 1.00 0.00 WT1 O ATOM 16490 H1 TIP3 5342 33.705 19.799 61.116 1.00 0.00 WT1 H ATOM 16491 H2 TIP3 5342 34.247 21.208 61.225 1.00 0.00 WT1 H ATOM 16492 OH2 TIP3 5343 62.111 20.134 21.522 1.00 0.00 WT1 O ATOM 16493 H1 TIP3 5343 61.568 20.372 20.770 1.00 0.00 WT1 H ATOM 16494 H2 TIP3 5343 61.582 19.502 22.009 1.00 0.00 WT1 H ATOM 16495 OH2 TIP3 5344 49.258 86.938 12.355 1.00 0.00 WT1 O ATOM 16496 H1 TIP3 5344 49.828 87.268 13.050 1.00 0.00 WT1 H ATOM 16497 H2 TIP3 5344 48.947 86.093 12.681 1.00 0.00 WT1 H ATOM 16498 OH2 TIP3 5346 44.194 58.132 -15.635 1.00 0.00 WT1 O ATOM 16499 H1 TIP3 5346 44.086 58.826 -16.285 1.00 0.00 WT1 H ATOM 16500 H2 TIP3 5346 44.434 58.592 -14.831 1.00 0.00 WT1 H ATOM 16501 OH2 TIP3 5348 26.459 19.272 54.555 1.00 0.00 WT1 O ATOM 16502 H1 TIP3 5348 26.085 18.514 54.105 1.00 0.00 WT1 H ATOM 16503 H2 TIP3 5348 27.287 19.435 54.102 1.00 0.00 WT1 H ATOM 16504 OH2 TIP3 5349 75.295 36.084 31.147 1.00 0.00 WT1 O ATOM 16505 H1 TIP3 5349 75.935 35.741 31.770 1.00 0.00 WT1 H ATOM 16506 H2 TIP3 5349 75.692 35.936 30.288 1.00 0.00 WT1 H ATOM 16507 OH2 TIP3 5350 27.407 13.108 -5.927 1.00 0.00 WT1 O ATOM 16508 H1 TIP3 5350 27.602 13.962 -5.539 1.00 0.00 WT1 H ATOM 16509 H2 TIP3 5350 26.665 12.779 -5.420 1.00 0.00 WT1 H ATOM 16510 OH2 TIP3 5351 45.578 76.402 49.752 1.00 0.00 WT1 O ATOM 16511 H1 TIP3 5351 46.331 76.981 49.628 1.00 0.00 WT1 H ATOM 16512 H2 TIP3 5351 45.656 75.753 49.053 1.00 0.00 WT1 H ATOM 16513 OH2 TIP3 5352 78.740 64.961 39.399 1.00 0.00 WT1 O ATOM 16514 H1 TIP3 5352 79.320 65.538 39.896 1.00 0.00 WT1 H ATOM 16515 H2 TIP3 5352 78.267 65.547 38.808 1.00 0.00 WT1 H ATOM 16516 OH2 TIP3 5353 86.703 43.241 50.266 1.00 0.00 WT1 O ATOM 16517 H1 TIP3 5353 86.102 43.974 50.136 1.00 0.00 WT1 H ATOM 16518 H2 TIP3 5353 86.565 42.975 51.175 1.00 0.00 WT1 H ATOM 16519 OH2 TIP3 5354 58.990 2.486 16.342 1.00 0.00 WT1 O ATOM 16520 H1 TIP3 5354 59.945 2.482 16.402 1.00 0.00 WT1 H ATOM 16521 H2 TIP3 5354 58.743 1.563 16.392 1.00 0.00 WT1 H ATOM 16522 OH2 TIP3 5355 88.766 66.293 -6.788 1.00 0.00 WT1 O ATOM 16523 H1 TIP3 5355 89.238 65.783 -6.129 1.00 0.00 WT1 H ATOM 16524 H2 TIP3 5355 89.449 66.790 -7.239 1.00 0.00 WT1 H ATOM 16525 OH2 TIP3 5356 46.122 82.681 4.111 1.00 0.00 WT1 O ATOM 16526 H1 TIP3 5356 46.486 82.775 4.991 1.00 0.00 WT1 H ATOM 16527 H2 TIP3 5356 46.156 81.741 3.936 1.00 0.00 WT1 H ATOM 16528 OH2 TIP3 5357 65.961 27.415 -2.447 1.00 0.00 WT1 O ATOM 16529 H1 TIP3 5357 65.309 27.881 -1.925 1.00 0.00 WT1 H ATOM 16530 H2 TIP3 5357 65.631 27.465 -3.344 1.00 0.00 WT1 H ATOM 16531 OH2 TIP3 5358 30.292 89.147 -18.589 1.00 0.00 WT1 O ATOM 16532 H1 TIP3 5358 29.662 89.255 -19.301 1.00 0.00 WT1 H ATOM 16533 H2 TIP3 5358 31.136 89.040 -19.030 1.00 0.00 WT1 H ATOM 16534 OH2 TIP3 5359 53.786 24.489 8.294 1.00 0.00 WT1 O ATOM 16535 H1 TIP3 5359 54.567 24.226 8.780 1.00 0.00 WT1 H ATOM 16536 H2 TIP3 5359 53.358 25.133 8.858 1.00 0.00 WT1 H ATOM 16537 OH2 TIP3 5360 62.324 19.761 29.456 1.00 0.00 WT1 O ATOM 16538 H1 TIP3 5360 63.040 19.415 28.924 1.00 0.00 WT1 H ATOM 16539 H2 TIP3 5360 62.704 20.515 29.908 1.00 0.00 WT1 H ATOM 16540 OH2 TIP3 5361 57.480 57.813 12.402 1.00 0.00 WT1 O ATOM 16541 H1 TIP3 5361 57.792 57.376 13.194 1.00 0.00 WT1 H ATOM 16542 H2 TIP3 5361 56.785 58.395 12.707 1.00 0.00 WT1 H ATOM 16543 OH2 TIP3 5364 24.870 74.564 25.086 1.00 0.00 WT1 O ATOM 16544 H1 TIP3 5364 25.127 75.381 25.513 1.00 0.00 WT1 H ATOM 16545 H2 TIP3 5364 24.764 74.798 24.164 1.00 0.00 WT1 H ATOM 16546 OH2 TIP3 5365 79.087 16.889 -16.795 1.00 0.00 WT1 O ATOM 16547 H1 TIP3 5365 78.664 16.707 -15.956 1.00 0.00 WT1 H ATOM 16548 H2 TIP3 5365 78.503 16.503 -17.447 1.00 0.00 WT1 H ATOM 16549 OH2 TIP3 5366 29.008 88.029 -8.911 1.00 0.00 WT1 O ATOM 16550 H1 TIP3 5366 28.538 87.246 -9.198 1.00 0.00 WT1 H ATOM 16551 H2 TIP3 5366 29.101 88.556 -9.705 1.00 0.00 WT1 H ATOM 16552 OH2 TIP3 5368 64.932 13.630 29.338 1.00 0.00 WT1 O ATOM 16553 H1 TIP3 5368 65.536 14.080 29.929 1.00 0.00 WT1 H ATOM 16554 H2 TIP3 5368 64.133 14.157 29.364 1.00 0.00 WT1 H ATOM 16555 OH2 TIP3 5369 55.854 74.181 1.505 1.00 0.00 WT1 O ATOM 16556 H1 TIP3 5369 56.185 74.782 2.172 1.00 0.00 WT1 H ATOM 16557 H2 TIP3 5369 56.038 73.309 1.855 1.00 0.00 WT1 H ATOM 16558 OH2 TIP3 5370 36.990 23.504 23.800 1.00 0.00 WT1 O ATOM 16559 H1 TIP3 5370 36.732 23.363 22.889 1.00 0.00 WT1 H ATOM 16560 H2 TIP3 5370 36.162 23.538 24.281 1.00 0.00 WT1 H ATOM 16561 OH2 TIP3 5371 69.443 2.869 38.388 1.00 0.00 WT1 O ATOM 16562 H1 TIP3 5371 69.940 2.501 37.658 1.00 0.00 WT1 H ATOM 16563 H2 TIP3 5371 70.074 3.416 38.856 1.00 0.00 WT1 H ATOM 16564 OH2 TIP3 5372 75.458 91.517 42.349 1.00 0.00 WT1 O ATOM 16565 H1 TIP3 5372 75.583 90.604 42.607 1.00 0.00 WT1 H ATOM 16566 H2 TIP3 5372 74.824 91.479 41.633 1.00 0.00 WT1 H ATOM 16567 OH2 TIP3 5374 34.967 25.887 65.348 1.00 0.00 WT1 O ATOM 16568 H1 TIP3 5374 34.833 25.616 66.256 1.00 0.00 WT1 H ATOM 16569 H2 TIP3 5374 35.198 25.079 64.888 1.00 0.00 WT1 H ATOM 16570 OH2 TIP3 5375 40.486 12.006 -5.463 1.00 0.00 WT1 O ATOM 16571 H1 TIP3 5375 40.695 12.940 -5.431 1.00 0.00 WT1 H ATOM 16572 H2 TIP3 5375 40.407 11.810 -6.396 1.00 0.00 WT1 H ATOM 16573 OH2 TIP3 5376 63.124 30.408 55.039 1.00 0.00 WT1 O ATOM 16574 H1 TIP3 5376 62.260 30.217 55.404 1.00 0.00 WT1 H ATOM 16575 H2 TIP3 5376 62.972 30.498 54.098 1.00 0.00 WT1 H ATOM 16576 OH2 TIP3 5377 52.694 49.620 36.386 1.00 0.00 WT1 O ATOM 16577 H1 TIP3 5377 52.108 49.586 35.630 1.00 0.00 WT1 H ATOM 16578 H2 TIP3 5377 53.514 49.970 36.039 1.00 0.00 WT1 H ATOM 16579 OH2 TIP3 5378 79.257 87.519 65.157 1.00 0.00 WT1 O ATOM 16580 H1 TIP3 5378 79.883 87.323 65.853 1.00 0.00 WT1 H ATOM 16581 H2 TIP3 5378 78.576 86.853 65.253 1.00 0.00 WT1 H ATOM 16582 OH2 TIP3 5379 81.851 77.995 -10.228 1.00 0.00 WT1 O ATOM 16583 H1 TIP3 5379 82.074 78.439 -9.410 1.00 0.00 WT1 H ATOM 16584 H2 TIP3 5379 81.161 77.378 -9.986 1.00 0.00 WT1 H ATOM 16585 OH2 TIP3 5380 50.069 20.479 17.591 1.00 0.00 WT1 O ATOM 16586 H1 TIP3 5380 50.185 20.856 18.463 1.00 0.00 WT1 H ATOM 16587 H2 TIP3 5380 49.397 21.025 17.181 1.00 0.00 WT1 H ATOM 16588 OH2 TIP3 5381 51.689 33.620 14.689 1.00 0.00 WT1 O ATOM 16589 H1 TIP3 5381 51.063 33.569 13.966 1.00 0.00 WT1 H ATOM 16590 H2 TIP3 5381 51.144 33.645 15.476 1.00 0.00 WT1 H ATOM 16591 OH2 TIP3 5382 32.209 27.155 4.608 1.00 0.00 WT1 O ATOM 16592 H1 TIP3 5382 31.537 27.136 3.927 1.00 0.00 WT1 H ATOM 16593 H2 TIP3 5382 31.922 27.841 5.210 1.00 0.00 WT1 H ATOM 16594 OH2 TIP3 5383 71.191 1.159 -1.987 1.00 0.00 WT1 O ATOM 16595 H1 TIP3 5383 70.458 1.319 -2.581 1.00 0.00 WT1 H ATOM 16596 H2 TIP3 5383 71.166 0.216 -1.823 1.00 0.00 WT1 H ATOM 16597 OH2 TIP3 5384 86.894 43.786 -18.113 1.00 0.00 WT1 O ATOM 16598 H1 TIP3 5384 86.190 44.190 -17.604 1.00 0.00 WT1 H ATOM 16599 H2 TIP3 5384 86.796 42.847 -17.954 1.00 0.00 WT1 H ATOM 16600 OH2 TIP3 5385 34.218 84.199 24.431 1.00 0.00 WT1 O ATOM 16601 H1 TIP3 5385 34.384 83.620 23.687 1.00 0.00 WT1 H ATOM 16602 H2 TIP3 5385 33.274 84.133 24.580 1.00 0.00 WT1 H ATOM 16603 OH2 TIP3 5388 52.007 94.839 46.729 1.00 0.00 WT1 O ATOM 16604 H1 TIP3 5388 52.156 94.828 45.784 1.00 0.00 WT1 H ATOM 16605 H2 TIP3 5388 52.544 95.563 47.049 1.00 0.00 WT1 H ATOM 16606 OH2 TIP3 5389 70.200 27.658 57.079 1.00 0.00 WT1 O ATOM 16607 H1 TIP3 5389 69.832 26.778 56.999 1.00 0.00 WT1 H ATOM 16608 H2 TIP3 5389 70.590 27.835 56.223 1.00 0.00 WT1 H ATOM 16609 OH2 TIP3 5390 75.119 29.020 -1.401 1.00 0.00 WT1 O ATOM 16610 H1 TIP3 5390 74.176 29.036 -1.239 1.00 0.00 WT1 H ATOM 16611 H2 TIP3 5390 75.223 28.443 -2.158 1.00 0.00 WT1 H ATOM 16612 OH2 TIP3 5392 26.966 59.484 25.823 1.00 0.00 WT1 O ATOM 16613 H1 TIP3 5392 27.107 58.624 26.219 1.00 0.00 WT1 H ATOM 16614 H2 TIP3 5392 27.673 59.572 25.184 1.00 0.00 WT1 H ATOM 16615 OH2 TIP3 5393 88.491 38.393 62.529 1.00 0.00 WT1 O ATOM 16616 H1 TIP3 5393 88.875 39.202 62.867 1.00 0.00 WT1 H ATOM 16617 H2 TIP3 5393 89.108 38.096 61.860 1.00 0.00 WT1 H ATOM 16618 OH2 TIP3 5394 34.258 29.448 10.455 1.00 0.00 WT1 O ATOM 16619 H1 TIP3 5394 33.625 30.151 10.599 1.00 0.00 WT1 H ATOM 16620 H2 TIP3 5394 34.978 29.647 11.053 1.00 0.00 WT1 H ATOM 16621 OH2 TIP3 5395 34.688 48.038 51.321 1.00 0.00 WT1 O ATOM 16622 H1 TIP3 5395 35.620 48.005 51.537 1.00 0.00 WT1 H ATOM 16623 H2 TIP3 5395 34.582 48.855 50.834 1.00 0.00 WT1 H ATOM 16624 OH2 TIP3 5396 50.712 76.655 29.599 1.00 0.00 WT1 O ATOM 16625 H1 TIP3 5396 49.836 76.306 29.766 1.00 0.00 WT1 H ATOM 16626 H2 TIP3 5396 51.265 75.879 29.504 1.00 0.00 WT1 H ATOM 16627 OH2 TIP3 5397 29.558 78.397 36.237 1.00 0.00 WT1 O ATOM 16628 H1 TIP3 5397 29.519 77.616 35.685 1.00 0.00 WT1 H ATOM 16629 H2 TIP3 5397 30.141 78.154 36.956 1.00 0.00 WT1 H ATOM 16630 OH2 TIP3 5398 27.894 56.356 18.515 1.00 0.00 WT1 O ATOM 16631 H1 TIP3 5398 28.082 55.440 18.310 1.00 0.00 WT1 H ATOM 16632 H2 TIP3 5398 28.650 56.837 18.180 1.00 0.00 WT1 H ATOM 16633 OH2 TIP3 5399 46.933 0.715 -1.496 1.00 0.00 WT1 O ATOM 16634 H1 TIP3 5399 46.523 -0.150 -1.538 1.00 0.00 WT1 H ATOM 16635 H2 TIP3 5399 47.860 0.550 -1.668 1.00 0.00 WT1 H ATOM 16636 OH2 TIP3 5400 31.385 29.109 6.140 1.00 0.00 WT1 O ATOM 16637 H1 TIP3 5400 31.009 29.960 6.365 1.00 0.00 WT1 H ATOM 16638 H2 TIP3 5400 31.416 28.634 6.971 1.00 0.00 WT1 H ATOM 16639 OH2 TIP3 5402 30.762 2.472 -8.022 1.00 0.00 WT1 O ATOM 16640 H1 TIP3 5402 30.559 1.616 -8.400 1.00 0.00 WT1 H ATOM 16641 H2 TIP3 5402 29.913 2.907 -7.943 1.00 0.00 WT1 H ATOM 16642 OH2 TIP3 5403 37.451 23.970 12.081 1.00 0.00 WT1 O ATOM 16643 H1 TIP3 5403 37.516 24.923 12.027 1.00 0.00 WT1 H ATOM 16644 H2 TIP3 5403 37.960 23.652 11.334 1.00 0.00 WT1 H ATOM 16645 OH2 TIP3 5404 20.429 22.507 -17.709 1.00 0.00 WT1 O ATOM 16646 H1 TIP3 5404 21.207 21.980 -17.526 1.00 0.00 WT1 H ATOM 16647 H2 TIP3 5404 20.756 23.405 -17.764 1.00 0.00 WT1 H ATOM 16648 OH2 TIP3 5406 71.756 30.715 38.860 1.00 0.00 WT1 O ATOM 16649 H1 TIP3 5406 71.455 29.904 39.269 1.00 0.00 WT1 H ATOM 16650 H2 TIP3 5406 71.407 31.409 39.419 1.00 0.00 WT1 H ATOM 16651 OH2 TIP3 5408 58.713 8.020 -13.327 1.00 0.00 WT1 O ATOM 16652 H1 TIP3 5408 59.650 7.842 -13.243 1.00 0.00 WT1 H ATOM 16653 H2 TIP3 5408 58.650 8.975 -13.340 1.00 0.00 WT1 H ATOM 16654 OH2 TIP3 5410 86.036 73.013 44.552 1.00 0.00 WT1 O ATOM 16655 H1 TIP3 5410 85.874 72.775 45.465 1.00 0.00 WT1 H ATOM 16656 H2 TIP3 5410 85.960 72.189 44.071 1.00 0.00 WT1 H ATOM 16657 OH2 TIP3 5411 21.429 85.054 21.842 1.00 0.00 WT1 O ATOM 16658 H1 TIP3 5411 21.399 84.103 21.937 1.00 0.00 WT1 H ATOM 16659 H2 TIP3 5411 22.313 85.296 22.118 1.00 0.00 WT1 H ATOM 16660 OH2 TIP3 5412 73.483 59.085 20.432 1.00 0.00 WT1 O ATOM 16661 H1 TIP3 5412 73.711 58.722 19.575 1.00 0.00 WT1 H ATOM 16662 H2 TIP3 5412 72.533 58.982 20.490 1.00 0.00 WT1 H ATOM 16663 OH2 TIP3 5413 89.193 4.179 37.453 1.00 0.00 WT1 O ATOM 16664 H1 TIP3 5413 88.850 3.316 37.686 1.00 0.00 WT1 H ATOM 16665 H2 TIP3 5413 89.033 4.254 36.512 1.00 0.00 WT1 H ATOM 16666 OH2 TIP3 5414 28.450 25.677 43.816 1.00 0.00 WT1 O ATOM 16667 H1 TIP3 5414 27.752 26.331 43.867 1.00 0.00 WT1 H ATOM 16668 H2 TIP3 5414 29.235 26.181 43.604 1.00 0.00 WT1 H ATOM 16669 OH2 TIP3 5415 31.538 53.618 -2.394 1.00 0.00 WT1 O ATOM 16670 H1 TIP3 5415 32.162 54.153 -1.903 1.00 0.00 WT1 H ATOM 16671 H2 TIP3 5415 30.750 53.610 -1.851 1.00 0.00 WT1 H ATOM 16672 OH2 TIP3 5416 84.068 33.765 61.078 1.00 0.00 WT1 O ATOM 16673 H1 TIP3 5416 83.800 34.084 61.940 1.00 0.00 WT1 H ATOM 16674 H2 TIP3 5416 83.565 34.295 60.460 1.00 0.00 WT1 H ATOM 16675 OH2 TIP3 5417 67.276 86.938 49.429 1.00 0.00 WT1 O ATOM 16676 H1 TIP3 5417 67.129 86.391 48.657 1.00 0.00 WT1 H ATOM 16677 H2 TIP3 5417 66.970 87.807 49.169 1.00 0.00 WT1 H ATOM 16678 OH2 TIP3 5418 57.530 42.416 -2.532 1.00 0.00 WT1 O ATOM 16679 H1 TIP3 5418 57.197 42.547 -1.644 1.00 0.00 WT1 H ATOM 16680 H2 TIP3 5418 58.354 42.902 -2.554 1.00 0.00 WT1 H ATOM 16681 OH2 TIP3 5419 75.942 35.939 49.256 1.00 0.00 WT1 O ATOM 16682 H1 TIP3 5419 75.537 35.072 49.248 1.00 0.00 WT1 H ATOM 16683 H2 TIP3 5419 76.880 35.767 49.177 1.00 0.00 WT1 H ATOM 16684 OH2 TIP3 5420 70.633 38.403 12.922 1.00 0.00 WT1 O ATOM 16685 H1 TIP3 5420 70.837 38.864 13.736 1.00 0.00 WT1 H ATOM 16686 H2 TIP3 5420 69.803 38.781 12.634 1.00 0.00 WT1 H ATOM 16687 OH2 TIP3 5421 89.557 29.214 36.767 1.00 0.00 WT1 O ATOM 16688 H1 TIP3 5421 89.520 29.514 35.859 1.00 0.00 WT1 H ATOM 16689 H2 TIP3 5421 89.745 28.278 36.703 1.00 0.00 WT1 H ATOM 16690 OH2 TIP3 5422 37.224 77.270 -9.260 1.00 0.00 WT1 O ATOM 16691 H1 TIP3 5422 37.561 77.958 -8.685 1.00 0.00 WT1 H ATOM 16692 H2 TIP3 5422 37.896 77.172 -9.935 1.00 0.00 WT1 H ATOM 16693 OH2 TIP3 5424 32.635 93.632 1.237 1.00 0.00 WT1 O ATOM 16694 H1 TIP3 5424 32.015 93.260 0.610 1.00 0.00 WT1 H ATOM 16695 H2 TIP3 5424 33.417 93.087 1.153 1.00 0.00 WT1 H ATOM 16696 OH2 TIP3 5425 89.533 35.650 5.607 1.00 0.00 WT1 O ATOM 16697 H1 TIP3 5425 90.471 35.488 5.715 1.00 0.00 WT1 H ATOM 16698 H2 TIP3 5425 89.184 35.637 6.498 1.00 0.00 WT1 H ATOM 16699 OH2 TIP3 5426 66.296 70.936 -1.788 1.00 0.00 WT1 O ATOM 16700 H1 TIP3 5426 65.662 71.589 -2.082 1.00 0.00 WT1 H ATOM 16701 H2 TIP3 5426 66.020 70.124 -2.214 1.00 0.00 WT1 H ATOM 16702 OH2 TIP3 5427 25.968 41.465 -9.897 1.00 0.00 WT1 O ATOM 16703 H1 TIP3 5427 26.906 41.643 -9.825 1.00 0.00 WT1 H ATOM 16704 H2 TIP3 5427 25.561 42.067 -9.275 1.00 0.00 WT1 H ATOM 16705 OH2 TIP3 5428 75.156 12.644 -13.904 1.00 0.00 WT1 O ATOM 16706 H1 TIP3 5428 75.185 11.737 -13.599 1.00 0.00 WT1 H ATOM 16707 H2 TIP3 5428 75.258 13.168 -13.110 1.00 0.00 WT1 H ATOM 16708 OH2 TIP3 5429 55.418 45.930 35.100 1.00 0.00 WT1 O ATOM 16709 H1 TIP3 5429 54.622 45.686 34.628 1.00 0.00 WT1 H ATOM 16710 H2 TIP3 5429 55.927 46.436 34.467 1.00 0.00 WT1 H ATOM 16711 OH2 TIP3 5430 87.838 90.183 -1.334 1.00 0.00 WT1 O ATOM 16712 H1 TIP3 5430 87.086 90.002 -0.771 1.00 0.00 WT1 H ATOM 16713 H2 TIP3 5430 88.549 89.662 -0.960 1.00 0.00 WT1 H ATOM 16714 OH2 TIP3 5431 81.151 37.988 19.085 1.00 0.00 WT1 O ATOM 16715 H1 TIP3 5431 80.811 38.792 18.692 1.00 0.00 WT1 H ATOM 16716 H2 TIP3 5431 80.419 37.373 19.046 1.00 0.00 WT1 H ATOM 16717 OH2 TIP3 5432 53.131 81.768 57.928 1.00 0.00 WT1 O ATOM 16718 H1 TIP3 5432 53.954 81.489 58.329 1.00 0.00 WT1 H ATOM 16719 H2 TIP3 5432 53.094 81.291 57.098 1.00 0.00 WT1 H ATOM 16720 OH2 TIP3 5433 37.972 31.139 14.226 1.00 0.00 WT1 O ATOM 16721 H1 TIP3 5433 38.324 30.356 14.650 1.00 0.00 WT1 H ATOM 16722 H2 TIP3 5433 38.072 31.832 14.878 1.00 0.00 WT1 H ATOM 16723 OH2 TIP3 5434 54.777 4.750 36.229 1.00 0.00 WT1 O ATOM 16724 H1 TIP3 5434 55.706 4.522 36.206 1.00 0.00 WT1 H ATOM 16725 H2 TIP3 5434 54.330 3.922 36.407 1.00 0.00 WT1 H ATOM 16726 OH2 TIP3 5435 51.471 21.917 38.481 1.00 0.00 WT1 O ATOM 16727 H1 TIP3 5435 50.539 21.818 38.286 1.00 0.00 WT1 H ATOM 16728 H2 TIP3 5435 51.693 21.140 38.994 1.00 0.00 WT1 H ATOM 16729 OH2 TIP3 5436 33.278 72.669 61.298 1.00 0.00 WT1 O ATOM 16730 H1 TIP3 5436 32.388 72.374 61.491 1.00 0.00 WT1 H ATOM 16731 H2 TIP3 5436 33.436 73.377 61.922 1.00 0.00 WT1 H ATOM 16732 OH2 TIP3 5437 54.145 41.851 62.028 1.00 0.00 WT1 O ATOM 16733 H1 TIP3 5437 54.853 42.402 61.695 1.00 0.00 WT1 H ATOM 16734 H2 TIP3 5437 53.985 42.175 62.915 1.00 0.00 WT1 H ATOM 16735 OH2 TIP3 5438 32.537 25.342 62.192 1.00 0.00 WT1 O ATOM 16736 H1 TIP3 5438 31.769 24.821 61.955 1.00 0.00 WT1 H ATOM 16737 H2 TIP3 5438 32.289 25.777 63.008 1.00 0.00 WT1 H ATOM 16738 OH2 TIP3 5439 69.572 43.632 32.463 1.00 0.00 WT1 O ATOM 16739 H1 TIP3 5439 69.804 43.742 31.541 1.00 0.00 WT1 H ATOM 16740 H2 TIP3 5439 70.197 42.987 32.793 1.00 0.00 WT1 H ATOM 16741 OH2 TIP3 5440 77.379 18.969 -2.714 1.00 0.00 WT1 O ATOM 16742 H1 TIP3 5440 78.094 19.544 -2.989 1.00 0.00 WT1 H ATOM 16743 H2 TIP3 5440 77.778 18.380 -2.074 1.00 0.00 WT1 H ATOM 16744 OH2 TIP3 5441 60.302 19.073 55.101 1.00 0.00 WT1 O ATOM 16745 H1 TIP3 5441 60.748 19.910 55.225 1.00 0.00 WT1 H ATOM 16746 H2 TIP3 5441 60.639 18.742 54.268 1.00 0.00 WT1 H ATOM 16747 OH2 TIP3 5442 58.338 85.738 8.423 1.00 0.00 WT1 O ATOM 16748 H1 TIP3 5442 58.588 84.888 8.061 1.00 0.00 WT1 H ATOM 16749 H2 TIP3 5442 59.165 86.133 8.700 1.00 0.00 WT1 H ATOM 16750 OH2 TIP3 5444 84.132 0.791 -16.667 1.00 0.00 WT1 O ATOM 16751 H1 TIP3 5444 84.299 1.617 -16.213 1.00 0.00 WT1 H ATOM 16752 H2 TIP3 5444 84.993 0.379 -16.740 1.00 0.00 WT1 H ATOM 16753 OH2 TIP3 5445 26.898 36.193 16.542 1.00 0.00 WT1 O ATOM 16754 H1 TIP3 5445 27.007 35.537 15.854 1.00 0.00 WT1 H ATOM 16755 H2 TIP3 5445 27.529 36.878 16.322 1.00 0.00 WT1 H ATOM 16756 OH2 TIP3 5446 48.558 20.105 -12.982 1.00 0.00 WT1 O ATOM 16757 H1 TIP3 5446 48.135 20.210 -13.834 1.00 0.00 WT1 H ATOM 16758 H2 TIP3 5446 49.436 20.466 -13.105 1.00 0.00 WT1 H ATOM 16759 OH2 TIP3 5447 68.146 81.044 56.505 1.00 0.00 WT1 O ATOM 16760 H1 TIP3 5447 68.598 81.434 57.253 1.00 0.00 WT1 H ATOM 16761 H2 TIP3 5447 67.356 81.574 56.399 1.00 0.00 WT1 H ATOM 16762 OH2 TIP3 5448 21.533 15.883 -4.305 1.00 0.00 WT1 O ATOM 16763 H1 TIP3 5448 20.983 16.607 -4.604 1.00 0.00 WT1 H ATOM 16764 H2 TIP3 5448 22.310 16.307 -3.941 1.00 0.00 WT1 H ATOM 16765 OH2 TIP3 5449 24.834 22.226 46.075 1.00 0.00 WT1 O ATOM 16766 H1 TIP3 5449 25.110 22.638 46.894 1.00 0.00 WT1 H ATOM 16767 H2 TIP3 5449 25.649 21.937 45.665 1.00 0.00 WT1 H ATOM 16768 OH2 TIP3 5450 21.427 49.924 25.539 1.00 0.00 WT1 O ATOM 16769 H1 TIP3 5450 20.552 49.940 25.927 1.00 0.00 WT1 H ATOM 16770 H2 TIP3 5450 21.340 50.426 24.728 1.00 0.00 WT1 H ATOM 16771 OH2 TIP3 5451 78.147 29.697 -6.648 1.00 0.00 WT1 O ATOM 16772 H1 TIP3 5451 78.915 29.877 -6.106 1.00 0.00 WT1 H ATOM 16773 H2 TIP3 5451 77.420 29.651 -6.026 1.00 0.00 WT1 H ATOM 16774 OH2 TIP3 5452 90.878 27.882 55.525 1.00 0.00 WT1 O ATOM 16775 H1 TIP3 5452 90.676 27.773 56.454 1.00 0.00 WT1 H ATOM 16776 H2 TIP3 5452 90.142 27.471 55.070 1.00 0.00 WT1 H ATOM 16777 OH2 TIP3 5454 60.173 33.166 0.885 1.00 0.00 WT1 O ATOM 16778 H1 TIP3 5454 60.752 33.190 0.123 1.00 0.00 WT1 H ATOM 16779 H2 TIP3 5454 59.760 34.029 0.899 1.00 0.00 WT1 H ATOM 16780 OH2 TIP3 5456 76.380 66.708 48.472 1.00 0.00 WT1 O ATOM 16781 H1 TIP3 5456 76.581 67.393 47.835 1.00 0.00 WT1 H ATOM 16782 H2 TIP3 5456 77.074 66.060 48.354 1.00 0.00 WT1 H ATOM 16783 OH2 TIP3 5458 90.161 73.640 -9.969 1.00 0.00 WT1 O ATOM 16784 H1 TIP3 5458 91.056 73.971 -9.903 1.00 0.00 WT1 H ATOM 16785 H2 TIP3 5458 90.066 73.054 -9.218 1.00 0.00 WT1 H ATOM 16786 OH2 TIP3 5459 33.464 11.695 14.252 1.00 0.00 WT1 O ATOM 16787 H1 TIP3 5459 33.012 12.494 14.522 1.00 0.00 WT1 H ATOM 16788 H2 TIP3 5459 34.025 11.969 13.527 1.00 0.00 WT1 H ATOM 16789 OH2 TIP3 5460 39.143 29.682 5.597 1.00 0.00 WT1 O ATOM 16790 H1 TIP3 5460 39.030 30.437 6.174 1.00 0.00 WT1 H ATOM 16791 H2 TIP3 5460 40.089 29.627 5.456 1.00 0.00 WT1 H ATOM 16792 OH2 TIP3 5461 82.062 20.290 65.971 1.00 0.00 WT1 O ATOM 16793 H1 TIP3 5461 82.511 21.135 65.981 1.00 0.00 WT1 H ATOM 16794 H2 TIP3 5461 82.197 19.958 65.083 1.00 0.00 WT1 H ATOM 16795 OH2 TIP3 5462 60.989 4.199 -10.709 1.00 0.00 WT1 O ATOM 16796 H1 TIP3 5462 60.722 3.349 -10.359 1.00 0.00 WT1 H ATOM 16797 H2 TIP3 5462 61.826 4.027 -11.141 1.00 0.00 WT1 H ATOM 16798 OH2 TIP3 5463 85.400 6.885 -12.295 1.00 0.00 WT1 O ATOM 16799 H1 TIP3 5463 85.097 6.990 -11.393 1.00 0.00 WT1 H ATOM 16800 H2 TIP3 5463 85.925 6.084 -12.280 1.00 0.00 WT1 H ATOM 16801 OH2 TIP3 5464 36.282 57.522 -15.752 1.00 0.00 WT1 O ATOM 16802 H1 TIP3 5464 36.847 56.837 -16.109 1.00 0.00 WT1 H ATOM 16803 H2 TIP3 5464 35.667 57.056 -15.185 1.00 0.00 WT1 H ATOM 16804 OH2 TIP3 5465 45.179 58.922 7.235 1.00 0.00 WT1 O ATOM 16805 H1 TIP3 5465 46.103 59.055 7.020 1.00 0.00 WT1 H ATOM 16806 H2 TIP3 5465 44.875 59.781 7.526 1.00 0.00 WT1 H ATOM 16807 OH2 TIP3 5466 37.038 39.034 16.295 1.00 0.00 WT1 O ATOM 16808 H1 TIP3 5466 37.036 39.929 16.632 1.00 0.00 WT1 H ATOM 16809 H2 TIP3 5466 37.932 38.725 16.439 1.00 0.00 WT1 H ATOM 16810 OH2 TIP3 5467 21.079 37.883 15.124 1.00 0.00 WT1 O ATOM 16811 H1 TIP3 5467 20.777 38.537 15.754 1.00 0.00 WT1 H ATOM 16812 H2 TIP3 5467 20.554 38.043 14.340 1.00 0.00 WT1 H ATOM 16813 OH2 TIP3 5468 26.990 16.567 38.850 1.00 0.00 WT1 O ATOM 16814 H1 TIP3 5468 27.475 15.787 39.123 1.00 0.00 WT1 H ATOM 16815 H2 TIP3 5468 27.586 17.024 38.257 1.00 0.00 WT1 H ATOM 16816 OH2 TIP3 5469 79.603 12.898 -18.030 1.00 0.00 WT1 O ATOM 16817 H1 TIP3 5469 78.988 13.592 -18.267 1.00 0.00 WT1 H ATOM 16818 H2 TIP3 5469 79.060 12.227 -17.616 1.00 0.00 WT1 H ATOM 16819 OH2 TIP3 5471 70.515 33.814 37.167 1.00 0.00 WT1 O ATOM 16820 H1 TIP3 5471 70.201 34.638 36.795 1.00 0.00 WT1 H ATOM 16821 H2 TIP3 5471 71.343 33.647 36.718 1.00 0.00 WT1 H ATOM 16822 OH2 TIP3 5474 69.201 82.689 43.111 1.00 0.00 WT1 O ATOM 16823 H1 TIP3 5474 68.886 81.794 43.236 1.00 0.00 WT1 H ATOM 16824 H2 TIP3 5474 68.866 82.943 42.251 1.00 0.00 WT1 H ATOM 16825 OH2 TIP3 5476 65.416 68.924 13.862 1.00 0.00 WT1 O ATOM 16826 H1 TIP3 5476 66.023 68.551 14.501 1.00 0.00 WT1 H ATOM 16827 H2 TIP3 5476 65.061 68.165 13.398 1.00 0.00 WT1 H ATOM 16828 OH2 TIP3 5477 85.869 46.139 19.425 1.00 0.00 WT1 O ATOM 16829 H1 TIP3 5477 86.262 46.845 19.939 1.00 0.00 WT1 H ATOM 16830 H2 TIP3 5477 86.051 46.375 18.516 1.00 0.00 WT1 H ATOM 16831 OH2 TIP3 5478 38.813 5.020 61.403 1.00 0.00 WT1 O ATOM 16832 H1 TIP3 5478 37.951 4.727 61.701 1.00 0.00 WT1 H ATOM 16833 H2 TIP3 5478 38.754 5.004 60.448 1.00 0.00 WT1 H ATOM 16834 OH2 TIP3 5479 64.320 95.148 54.554 1.00 0.00 WT1 O ATOM 16835 H1 TIP3 5479 64.780 94.445 55.012 1.00 0.00 WT1 H ATOM 16836 H2 TIP3 5479 63.767 94.697 53.916 1.00 0.00 WT1 H ATOM 16837 OH2 TIP3 5480 73.051 81.721 63.338 1.00 0.00 WT1 O ATOM 16838 H1 TIP3 5480 72.638 80.891 63.099 1.00 0.00 WT1 H ATOM 16839 H2 TIP3 5480 73.911 81.472 63.678 1.00 0.00 WT1 H ATOM 16840 OH2 TIP3 5481 76.354 86.928 28.119 1.00 0.00 WT1 O ATOM 16841 H1 TIP3 5481 76.356 87.743 28.620 1.00 0.00 WT1 H ATOM 16842 H2 TIP3 5481 75.534 86.498 28.363 1.00 0.00 WT1 H ATOM 16843 OH2 TIP3 5482 79.885 69.667 66.878 1.00 0.00 WT1 O ATOM 16844 H1 TIP3 5482 80.278 68.794 66.867 1.00 0.00 WT1 H ATOM 16845 H2 TIP3 5482 78.946 69.506 66.964 1.00 0.00 WT1 H ATOM 16846 OH2 TIP3 5483 72.480 32.962 7.204 1.00 0.00 WT1 O ATOM 16847 H1 TIP3 5483 71.703 33.131 6.671 1.00 0.00 WT1 H ATOM 16848 H2 TIP3 5483 72.571 33.743 7.750 1.00 0.00 WT1 H ATOM 16849 OH2 TIP3 5484 51.179 94.808 63.192 1.00 0.00 WT1 O ATOM 16850 H1 TIP3 5484 51.706 95.590 63.356 1.00 0.00 WT1 H ATOM 16851 H2 TIP3 5484 50.293 95.056 63.455 1.00 0.00 WT1 H ATOM 16852 OH2 TIP3 5485 64.288 26.704 17.467 1.00 0.00 WT1 O ATOM 16853 H1 TIP3 5485 64.462 27.592 17.155 1.00 0.00 WT1 H ATOM 16854 H2 TIP3 5485 63.807 26.827 18.285 1.00 0.00 WT1 H ATOM 16855 OH2 TIP3 5486 79.263 30.991 13.723 1.00 0.00 WT1 O ATOM 16856 H1 TIP3 5486 79.898 30.283 13.616 1.00 0.00 WT1 H ATOM 16857 H2 TIP3 5486 78.780 31.008 12.897 1.00 0.00 WT1 H ATOM 16858 OH2 TIP3 5487 65.897 40.723 -19.367 1.00 0.00 WT1 O ATOM 16859 H1 TIP3 5487 65.532 41.590 -19.189 1.00 0.00 WT1 H ATOM 16860 H2 TIP3 5487 66.376 40.828 -20.189 1.00 0.00 WT1 H ATOM 16861 OH2 TIP3 5488 86.618 34.073 14.073 1.00 0.00 WT1 O ATOM 16862 H1 TIP3 5488 86.544 33.601 13.244 1.00 0.00 WT1 H ATOM 16863 H2 TIP3 5488 86.248 33.476 14.723 1.00 0.00 WT1 H ATOM 16864 OH2 TIP3 5489 71.875 27.843 22.048 1.00 0.00 WT1 O ATOM 16865 H1 TIP3 5489 71.363 27.068 21.816 1.00 0.00 WT1 H ATOM 16866 H2 TIP3 5489 72.773 27.619 21.806 1.00 0.00 WT1 H ATOM 16867 OH2 TIP3 5491 80.488 56.897 46.332 1.00 0.00 WT1 O ATOM 16868 H1 TIP3 5491 80.761 57.606 46.914 1.00 0.00 WT1 H ATOM 16869 H2 TIP3 5491 79.585 56.710 46.588 1.00 0.00 WT1 H ATOM 16870 OH2 TIP3 5492 82.724 94.019 29.843 1.00 0.00 WT1 O ATOM 16871 H1 TIP3 5492 83.496 93.503 29.611 1.00 0.00 WT1 H ATOM 16872 H2 TIP3 5492 82.559 94.564 29.073 1.00 0.00 WT1 H ATOM 16873 OH2 TIP3 5493 52.177 38.427 -6.490 1.00 0.00 WT1 O ATOM 16874 H1 TIP3 5493 52.441 37.726 -7.086 1.00 0.00 WT1 H ATOM 16875 H2 TIP3 5493 52.339 38.073 -5.616 1.00 0.00 WT1 H ATOM 16876 OH2 TIP3 5494 81.093 64.127 54.550 1.00 0.00 WT1 O ATOM 16877 H1 TIP3 5494 80.449 63.529 54.929 1.00 0.00 WT1 H ATOM 16878 H2 TIP3 5494 81.073 63.937 53.611 1.00 0.00 WT1 H ATOM 16879 OH2 TIP3 5495 64.041 49.595 36.638 1.00 0.00 WT1 O ATOM 16880 H1 TIP3 5495 63.814 49.419 35.725 1.00 0.00 WT1 H ATOM 16881 H2 TIP3 5495 64.308 50.515 36.646 1.00 0.00 WT1 H ATOM 16882 OH2 TIP3 5496 53.943 90.946 -0.097 1.00 0.00 WT1 O ATOM 16883 H1 TIP3 5496 53.819 90.006 -0.229 1.00 0.00 WT1 H ATOM 16884 H2 TIP3 5496 53.055 91.298 -0.032 1.00 0.00 WT1 H ATOM 16885 OH2 TIP3 5497 73.205 86.501 4.159 1.00 0.00 WT1 O ATOM 16886 H1 TIP3 5497 73.560 87.036 3.449 1.00 0.00 WT1 H ATOM 16887 H2 TIP3 5497 72.585 85.913 3.728 1.00 0.00 WT1 H ATOM 16888 OH2 TIP3 5498 41.727 85.962 4.142 1.00 0.00 WT1 O ATOM 16889 H1 TIP3 5498 41.985 86.239 5.021 1.00 0.00 WT1 H ATOM 16890 H2 TIP3 5498 42.123 86.610 3.560 1.00 0.00 WT1 H ATOM 16891 OH2 TIP3 5500 37.490 44.949 56.018 1.00 0.00 WT1 O ATOM 16892 H1 TIP3 5500 37.643 44.724 55.100 1.00 0.00 WT1 H ATOM 16893 H2 TIP3 5500 37.559 44.116 56.485 1.00 0.00 WT1 H ATOM 16894 OH2 TIP3 5503 75.477 76.403 53.708 1.00 0.00 WT1 O ATOM 16895 H1 TIP3 5503 74.587 76.563 53.395 1.00 0.00 WT1 H ATOM 16896 H2 TIP3 5503 75.759 75.618 53.240 1.00 0.00 WT1 H ATOM 16897 OH2 TIP3 5504 62.926 23.956 17.270 1.00 0.00 WT1 O ATOM 16898 H1 TIP3 5504 63.333 23.840 18.129 1.00 0.00 WT1 H ATOM 16899 H2 TIP3 5504 62.220 24.585 17.422 1.00 0.00 WT1 H ATOM 16900 OH2 TIP3 5505 90.819 44.400 -0.467 1.00 0.00 WT1 O ATOM 16901 H1 TIP3 5505 89.871 44.305 -0.561 1.00 0.00 WT1 H ATOM 16902 H2 TIP3 5505 90.945 45.318 -0.227 1.00 0.00 WT1 H ATOM 16903 OH2 TIP3 5506 49.918 11.090 -2.292 1.00 0.00 WT1 O ATOM 16904 H1 TIP3 5506 49.246 10.421 -2.159 1.00 0.00 WT1 H ATOM 16905 H2 TIP3 5506 50.035 11.486 -1.428 1.00 0.00 WT1 H ATOM 16906 OH2 TIP3 5507 32.610 34.714 26.511 1.00 0.00 WT1 O ATOM 16907 H1 TIP3 5507 33.219 34.165 27.006 1.00 0.00 WT1 H ATOM 16908 H2 TIP3 5507 33.134 35.065 25.792 1.00 0.00 WT1 H ATOM 16909 OH2 TIP3 5510 22.106 82.763 -10.502 1.00 0.00 WT1 O ATOM 16910 H1 TIP3 5510 22.581 82.091 -10.991 1.00 0.00 WT1 H ATOM 16911 H2 TIP3 5510 21.911 82.353 -9.659 1.00 0.00 WT1 H ATOM 16912 OH2 TIP3 5511 62.780 16.043 5.345 1.00 0.00 WT1 O ATOM 16913 H1 TIP3 5511 63.296 15.408 5.842 1.00 0.00 WT1 H ATOM 16914 H2 TIP3 5511 61.958 15.590 5.158 1.00 0.00 WT1 H ATOM 16915 OH2 TIP3 5512 44.967 34.967 43.424 1.00 0.00 WT1 O ATOM 16916 H1 TIP3 5512 44.114 34.533 43.464 1.00 0.00 WT1 H ATOM 16917 H2 TIP3 5512 45.010 35.329 42.539 1.00 0.00 WT1 H ATOM 16918 OH2 TIP3 5513 81.500 20.960 38.066 1.00 0.00 WT1 O ATOM 16919 H1 TIP3 5513 81.670 21.038 39.005 1.00 0.00 WT1 H ATOM 16920 H2 TIP3 5513 82.353 20.754 37.684 1.00 0.00 WT1 H ATOM 16921 OH2 TIP3 5515 72.143 43.430 15.057 1.00 0.00 WT1 O ATOM 16922 H1 TIP3 5515 71.846 44.260 14.684 1.00 0.00 WT1 H ATOM 16923 H2 TIP3 5515 72.474 43.662 15.925 1.00 0.00 WT1 H ATOM 16924 OH2 TIP3 5516 23.755 55.529 28.721 1.00 0.00 WT1 O ATOM 16925 H1 TIP3 5516 23.770 54.641 28.365 1.00 0.00 WT1 H ATOM 16926 H2 TIP3 5516 24.060 56.082 28.002 1.00 0.00 WT1 H ATOM 16927 OH2 TIP3 5517 23.058 39.735 15.909 1.00 0.00 WT1 O ATOM 16928 H1 TIP3 5517 22.401 39.131 15.562 1.00 0.00 WT1 H ATOM 16929 H2 TIP3 5517 23.787 39.676 15.293 1.00 0.00 WT1 H ATOM 16930 OH2 TIP3 5519 61.569 17.425 61.316 1.00 0.00 WT1 O ATOM 16931 H1 TIP3 5519 61.700 16.794 60.608 1.00 0.00 WT1 H ATOM 16932 H2 TIP3 5519 60.619 17.477 61.418 1.00 0.00 WT1 H ATOM 16933 OH2 TIP3 5521 21.259 68.924 13.425 1.00 0.00 WT1 O ATOM 16934 H1 TIP3 5521 20.465 68.603 12.997 1.00 0.00 WT1 H ATOM 16935 H2 TIP3 5521 21.721 68.132 13.700 1.00 0.00 WT1 H ATOM 16936 OH2 TIP3 5522 45.835 43.389 4.884 1.00 0.00 WT1 O ATOM 16937 H1 TIP3 5522 44.982 43.499 5.303 1.00 0.00 WT1 H ATOM 16938 H2 TIP3 5522 46.467 43.497 5.595 1.00 0.00 WT1 H ATOM 16939 OH2 TIP3 5523 86.042 86.348 -16.447 1.00 0.00 WT1 O ATOM 16940 H1 TIP3 5523 86.191 85.869 -17.262 1.00 0.00 WT1 H ATOM 16941 H2 TIP3 5523 86.308 85.740 -15.758 1.00 0.00 WT1 H ATOM 16942 OH2 TIP3 5524 73.467 23.401 8.993 1.00 0.00 WT1 O ATOM 16943 H1 TIP3 5524 72.601 23.577 8.625 1.00 0.00 WT1 H ATOM 16944 H2 TIP3 5524 73.719 22.557 8.617 1.00 0.00 WT1 H ATOM 16945 OH2 TIP3 5525 46.709 14.201 -16.369 1.00 0.00 WT1 O ATOM 16946 H1 TIP3 5525 47.225 14.849 -16.848 1.00 0.00 WT1 H ATOM 16947 H2 TIP3 5525 47.346 13.540 -16.097 1.00 0.00 WT1 H ATOM 16948 OH2 TIP3 5526 75.624 51.048 39.771 1.00 0.00 WT1 O ATOM 16949 H1 TIP3 5526 74.953 51.680 39.512 1.00 0.00 WT1 H ATOM 16950 H2 TIP3 5526 76.445 51.429 39.458 1.00 0.00 WT1 H ATOM 16951 OH2 TIP3 5527 60.618 34.275 60.107 1.00 0.00 WT1 O ATOM 16952 H1 TIP3 5527 61.222 34.894 60.516 1.00 0.00 WT1 H ATOM 16953 H2 TIP3 5527 59.854 34.802 59.875 1.00 0.00 WT1 H ATOM 16954 OH2 TIP3 5528 75.853 39.073 6.074 1.00 0.00 WT1 O ATOM 16955 H1 TIP3 5528 75.652 39.763 6.707 1.00 0.00 WT1 H ATOM 16956 H2 TIP3 5528 75.226 38.377 6.271 1.00 0.00 WT1 H ATOM 16957 OH2 TIP3 5529 68.787 48.652 44.826 1.00 0.00 WT1 O ATOM 16958 H1 TIP3 5529 68.296 48.063 44.254 1.00 0.00 WT1 H ATOM 16959 H2 TIP3 5529 68.817 49.481 44.348 1.00 0.00 WT1 H ATOM 16960 OH2 TIP3 5530 70.732 26.014 25.385 1.00 0.00 WT1 O ATOM 16961 H1 TIP3 5530 70.831 26.959 25.267 1.00 0.00 WT1 H ATOM 16962 H2 TIP3 5530 71.519 25.639 24.989 1.00 0.00 WT1 H ATOM 16963 OH2 TIP3 5531 49.930 6.925 45.141 1.00 0.00 WT1 O ATOM 16964 H1 TIP3 5531 49.542 6.055 45.049 1.00 0.00 WT1 H ATOM 16965 H2 TIP3 5531 49.336 7.391 45.730 1.00 0.00 WT1 H ATOM 16966 OH2 TIP3 5532 87.329 38.301 -19.286 1.00 0.00 WT1 O ATOM 16967 H1 TIP3 5532 86.473 37.989 -19.578 1.00 0.00 WT1 H ATOM 16968 H2 TIP3 5532 87.287 38.259 -18.331 1.00 0.00 WT1 H ATOM 16969 OH2 TIP3 5533 25.568 76.589 -11.095 1.00 0.00 WT1 O ATOM 16970 H1 TIP3 5533 25.150 76.988 -10.332 1.00 0.00 WT1 H ATOM 16971 H2 TIP3 5533 26.503 76.747 -10.968 1.00 0.00 WT1 H ATOM 16972 OH2 TIP3 5534 85.233 28.391 37.962 1.00 0.00 WT1 O ATOM 16973 H1 TIP3 5534 85.222 27.835 38.742 1.00 0.00 WT1 H ATOM 16974 H2 TIP3 5534 85.382 27.784 37.237 1.00 0.00 WT1 H ATOM 16975 OH2 TIP3 5535 30.983 70.829 45.122 1.00 0.00 WT1 O ATOM 16976 H1 TIP3 5535 31.531 71.359 45.701 1.00 0.00 WT1 H ATOM 16977 H2 TIP3 5535 30.371 71.453 44.732 1.00 0.00 WT1 H ATOM 16978 OH2 TIP3 5536 38.185 51.314 7.301 1.00 0.00 WT1 O ATOM 16979 H1 TIP3 5536 39.112 51.117 7.432 1.00 0.00 WT1 H ATOM 16980 H2 TIP3 5536 37.724 50.645 7.807 1.00 0.00 WT1 H ATOM 16981 OH2 TIP3 5538 77.612 21.406 -10.994 1.00 0.00 WT1 O ATOM 16982 H1 TIP3 5538 78.524 21.529 -11.259 1.00 0.00 WT1 H ATOM 16983 H2 TIP3 5538 77.651 21.292 -10.045 1.00 0.00 WT1 H ATOM 16984 OH2 TIP3 5543 31.587 49.462 65.297 1.00 0.00 WT1 O ATOM 16985 H1 TIP3 5543 32.197 48.821 65.662 1.00 0.00 WT1 H ATOM 16986 H2 TIP3 5543 32.045 49.826 64.539 1.00 0.00 WT1 H ATOM 16987 OH2 TIP3 5544 73.935 63.549 39.883 1.00 0.00 WT1 O ATOM 16988 H1 TIP3 5544 73.491 64.325 39.540 1.00 0.00 WT1 H ATOM 16989 H2 TIP3 5544 73.293 63.143 40.466 1.00 0.00 WT1 H ATOM 16990 OH2 TIP3 5545 48.207 6.691 16.428 1.00 0.00 WT1 O ATOM 16991 H1 TIP3 5545 48.161 7.645 16.373 1.00 0.00 WT1 H ATOM 16992 H2 TIP3 5545 47.601 6.461 17.132 1.00 0.00 WT1 H ATOM 16993 OH2 TIP3 5547 53.894 43.080 0.915 1.00 0.00 WT1 O ATOM 16994 H1 TIP3 5547 53.864 42.143 1.112 1.00 0.00 WT1 H ATOM 16995 H2 TIP3 5547 53.912 43.505 1.772 1.00 0.00 WT1 H ATOM 16996 OH2 TIP3 5548 67.453 80.416 -4.469 1.00 0.00 WT1 O ATOM 16997 H1 TIP3 5548 67.636 80.137 -3.572 1.00 0.00 WT1 H ATOM 16998 H2 TIP3 5548 68.096 79.947 -5.002 1.00 0.00 WT1 H ATOM 16999 OH2 TIP3 5549 55.194 50.833 2.874 1.00 0.00 WT1 O ATOM 17000 H1 TIP3 5549 54.246 50.937 2.964 1.00 0.00 WT1 H ATOM 17001 H2 TIP3 5549 55.526 51.726 2.788 1.00 0.00 WT1 H ATOM 17002 OH2 TIP3 5550 61.975 15.214 29.733 1.00 0.00 WT1 O ATOM 17003 H1 TIP3 5550 61.555 15.934 30.203 1.00 0.00 WT1 H ATOM 17004 H2 TIP3 5550 61.505 15.162 28.901 1.00 0.00 WT1 H ATOM 17005 OH2 TIP3 5551 45.890 23.366 -4.955 1.00 0.00 WT1 O ATOM 17006 H1 TIP3 5551 45.933 22.439 -5.190 1.00 0.00 WT1 H ATOM 17007 H2 TIP3 5551 46.284 23.821 -5.700 1.00 0.00 WT1 H ATOM 17008 OH2 TIP3 5552 33.425 29.772 -4.592 1.00 0.00 WT1 O ATOM 17009 H1 TIP3 5552 32.564 30.150 -4.413 1.00 0.00 WT1 H ATOM 17010 H2 TIP3 5552 33.863 29.757 -3.741 1.00 0.00 WT1 H ATOM 17011 OH2 TIP3 5553 59.680 38.791 -19.302 1.00 0.00 WT1 O ATOM 17012 H1 TIP3 5553 59.246 38.286 -18.614 1.00 0.00 WT1 H ATOM 17013 H2 TIP3 5553 59.012 39.405 -19.607 1.00 0.00 WT1 H ATOM 17014 OH2 TIP3 5554 73.209 62.915 48.869 1.00 0.00 WT1 O ATOM 17015 H1 TIP3 5554 73.153 63.350 48.019 1.00 0.00 WT1 H ATOM 17016 H2 TIP3 5554 73.964 62.332 48.791 1.00 0.00 WT1 H ATOM 17017 OH2 TIP3 5555 54.671 6.789 6.621 1.00 0.00 WT1 O ATOM 17018 H1 TIP3 5555 53.982 7.435 6.775 1.00 0.00 WT1 H ATOM 17019 H2 TIP3 5555 54.561 6.149 7.324 1.00 0.00 WT1 H ATOM 17020 OH2 TIP3 5556 36.283 77.590 22.273 1.00 0.00 WT1 O ATOM 17021 H1 TIP3 5556 36.059 76.698 22.010 1.00 0.00 WT1 H ATOM 17022 H2 TIP3 5556 37.190 77.531 22.574 1.00 0.00 WT1 H ATOM 17023 OH2 TIP3 5558 56.390 63.591 15.661 1.00 0.00 WT1 O ATOM 17024 H1 TIP3 5558 56.469 63.337 14.741 1.00 0.00 WT1 H ATOM 17025 H2 TIP3 5558 57.152 63.198 16.085 1.00 0.00 WT1 H ATOM 17026 OH2 TIP3 5559 39.915 89.510 8.127 1.00 0.00 WT1 O ATOM 17027 H1 TIP3 5559 39.139 89.601 8.681 1.00 0.00 WT1 H ATOM 17028 H2 TIP3 5559 40.651 89.655 8.721 1.00 0.00 WT1 H ATOM 17029 OH2 TIP3 5561 32.037 58.248 54.261 1.00 0.00 WT1 O ATOM 17030 H1 TIP3 5561 31.523 58.261 53.453 1.00 0.00 WT1 H ATOM 17031 H2 TIP3 5561 31.643 57.551 54.785 1.00 0.00 WT1 H ATOM 17032 OH2 TIP3 5563 57.983 88.497 37.328 1.00 0.00 WT1 O ATOM 17033 H1 TIP3 5563 57.488 87.790 37.741 1.00 0.00 WT1 H ATOM 17034 H2 TIP3 5563 58.627 88.756 37.988 1.00 0.00 WT1 H ATOM 17035 OH2 TIP3 5564 44.987 46.784 45.098 1.00 0.00 WT1 O ATOM 17036 H1 TIP3 5564 44.195 47.301 44.952 1.00 0.00 WT1 H ATOM 17037 H2 TIP3 5564 45.657 47.430 45.325 1.00 0.00 WT1 H ATOM 17038 OH2 TIP3 5565 86.760 45.179 -0.929 1.00 0.00 WT1 O ATOM 17039 H1 TIP3 5565 86.425 45.223 -0.033 1.00 0.00 WT1 H ATOM 17040 H2 TIP3 5565 86.021 45.449 -1.475 1.00 0.00 WT1 H ATOM 17041 OH2 TIP3 5566 26.284 34.098 54.148 1.00 0.00 WT1 O ATOM 17042 H1 TIP3 5566 26.998 33.714 54.658 1.00 0.00 WT1 H ATOM 17043 H2 TIP3 5566 26.715 34.486 53.386 1.00 0.00 WT1 H ATOM 17044 OH2 TIP3 5567 60.784 60.112 49.874 1.00 0.00 WT1 O ATOM 17045 H1 TIP3 5567 60.268 59.638 49.222 1.00 0.00 WT1 H ATOM 17046 H2 TIP3 5567 61.081 59.436 50.483 1.00 0.00 WT1 H ATOM 17047 OH2 TIP3 5568 40.023 69.046 -13.088 1.00 0.00 WT1 O ATOM 17048 H1 TIP3 5568 39.587 68.895 -12.249 1.00 0.00 WT1 H ATOM 17049 H2 TIP3 5568 40.434 68.207 -13.299 1.00 0.00 WT1 H ATOM 17050 OH2 TIP3 5569 40.800 41.030 59.721 1.00 0.00 WT1 O ATOM 17051 H1 TIP3 5569 41.610 41.539 59.717 1.00 0.00 WT1 H ATOM 17052 H2 TIP3 5569 40.944 40.345 59.068 1.00 0.00 WT1 H ATOM 17053 OH2 TIP3 5570 64.764 32.313 -10.760 1.00 0.00 WT1 O ATOM 17054 H1 TIP3 5570 65.089 33.126 -10.375 1.00 0.00 WT1 H ATOM 17055 H2 TIP3 5570 64.080 32.019 -10.159 1.00 0.00 WT1 H ATOM 17056 OH2 TIP3 5571 75.783 17.462 11.372 1.00 0.00 WT1 O ATOM 17057 H1 TIP3 5571 75.907 17.988 12.163 1.00 0.00 WT1 H ATOM 17058 H2 TIP3 5571 74.833 17.398 11.273 1.00 0.00 WT1 H ATOM 17059 OH2 TIP3 5572 76.386 70.576 -7.592 1.00 0.00 WT1 O ATOM 17060 H1 TIP3 5572 75.977 71.021 -6.850 1.00 0.00 WT1 H ATOM 17061 H2 TIP3 5572 75.674 70.079 -7.996 1.00 0.00 WT1 H ATOM 17062 OH2 TIP3 5573 45.508 65.551 52.916 1.00 0.00 WT1 O ATOM 17063 H1 TIP3 5573 45.461 66.195 52.209 1.00 0.00 WT1 H ATOM 17064 H2 TIP3 5573 45.974 64.808 52.533 1.00 0.00 WT1 H ATOM 17065 OH2 TIP3 5575 30.016 2.150 46.865 1.00 0.00 WT1 O ATOM 17066 H1 TIP3 5575 29.613 2.944 46.515 1.00 0.00 WT1 H ATOM 17067 H2 TIP3 5575 30.941 2.373 46.964 1.00 0.00 WT1 H ATOM 17068 OH2 TIP3 5576 29.711 54.305 35.563 1.00 0.00 WT1 O ATOM 17069 H1 TIP3 5576 29.700 55.065 34.981 1.00 0.00 WT1 H ATOM 17070 H2 TIP3 5576 29.212 54.583 36.331 1.00 0.00 WT1 H ATOM 17071 OH2 TIP3 5577 27.452 52.140 3.430 1.00 0.00 WT1 O ATOM 17072 H1 TIP3 5577 27.420 51.190 3.545 1.00 0.00 WT1 H ATOM 17073 H2 TIP3 5577 27.908 52.461 4.209 1.00 0.00 WT1 H ATOM 17074 OH2 TIP3 5579 38.360 33.023 15.919 1.00 0.00 WT1 O ATOM 17075 H1 TIP3 5579 38.130 33.748 15.337 1.00 0.00 WT1 H ATOM 17076 H2 TIP3 5579 39.298 33.129 16.076 1.00 0.00 WT1 H ATOM 17077 OH2 TIP3 5581 21.369 52.511 28.030 1.00 0.00 WT1 O ATOM 17078 H1 TIP3 5581 21.042 53.313 28.437 1.00 0.00 WT1 H ATOM 17079 H2 TIP3 5581 22.247 52.739 27.723 1.00 0.00 WT1 H ATOM 17080 OH2 TIP3 5584 21.253 80.056 45.181 1.00 0.00 WT1 O ATOM 17081 H1 TIP3 5584 20.770 80.708 44.672 1.00 0.00 WT1 H ATOM 17082 H2 TIP3 5584 21.641 80.554 45.901 1.00 0.00 WT1 H ATOM 17083 OH2 TIP3 5585 57.521 39.135 49.997 1.00 0.00 WT1 O ATOM 17084 H1 TIP3 5585 56.581 38.962 50.050 1.00 0.00 WT1 H ATOM 17085 H2 TIP3 5585 57.801 38.688 49.198 1.00 0.00 WT1 H ATOM 17086 OH2 TIP3 5587 56.215 44.325 36.959 1.00 0.00 WT1 O ATOM 17087 H1 TIP3 5587 56.835 44.903 37.404 1.00 0.00 WT1 H ATOM 17088 H2 TIP3 5587 55.866 44.854 36.242 1.00 0.00 WT1 H ATOM 17089 OH2 TIP3 5589 83.221 12.294 6.881 1.00 0.00 WT1 O ATOM 17090 H1 TIP3 5589 83.790 12.711 7.529 1.00 0.00 WT1 H ATOM 17091 H2 TIP3 5589 83.513 12.649 6.042 1.00 0.00 WT1 H ATOM 17092 OH2 TIP3 5590 29.427 17.157 3.600 1.00 0.00 WT1 O ATOM 17093 H1 TIP3 5590 28.847 17.726 4.107 1.00 0.00 WT1 H ATOM 17094 H2 TIP3 5590 30.298 17.537 3.716 1.00 0.00 WT1 H ATOM 17095 OH2 TIP3 5591 56.179 66.850 -15.343 1.00 0.00 WT1 O ATOM 17096 H1 TIP3 5591 56.601 66.883 -14.485 1.00 0.00 WT1 H ATOM 17097 H2 TIP3 5591 56.406 65.986 -15.688 1.00 0.00 WT1 H ATOM 17098 OH2 TIP3 5592 84.209 17.147 6.276 1.00 0.00 WT1 O ATOM 17099 H1 TIP3 5592 84.081 16.204 6.377 1.00 0.00 WT1 H ATOM 17100 H2 TIP3 5592 83.380 17.533 6.558 1.00 0.00 WT1 H ATOM 17101 OH2 TIP3 5595 63.376 38.822 61.479 1.00 0.00 WT1 O ATOM 17102 H1 TIP3 5595 63.892 38.635 62.263 1.00 0.00 WT1 H ATOM 17103 H2 TIP3 5595 63.458 39.768 61.357 1.00 0.00 WT1 H ATOM 17104 OH2 TIP3 5596 40.413 77.253 15.181 1.00 0.00 WT1 O ATOM 17105 H1 TIP3 5596 41.303 77.261 14.830 1.00 0.00 WT1 H ATOM 17106 H2 TIP3 5596 40.498 77.628 16.058 1.00 0.00 WT1 H ATOM 17107 OH2 TIP3 5597 54.178 53.450 18.172 1.00 0.00 WT1 O ATOM 17108 H1 TIP3 5597 53.450 53.452 17.550 1.00 0.00 WT1 H ATOM 17109 H2 TIP3 5597 54.309 52.527 18.386 1.00 0.00 WT1 H ATOM 17110 OH2 TIP3 5598 73.164 25.996 -8.987 1.00 0.00 WT1 O ATOM 17111 H1 TIP3 5598 74.032 26.274 -9.279 1.00 0.00 WT1 H ATOM 17112 H2 TIP3 5598 73.136 25.058 -9.177 1.00 0.00 WT1 H ATOM 17113 OH2 TIP3 5605 63.819 51.960 25.391 1.00 0.00 WT1 O ATOM 17114 H1 TIP3 5605 63.225 51.333 24.979 1.00 0.00 WT1 H ATOM 17115 H2 TIP3 5605 63.242 52.609 25.794 1.00 0.00 WT1 H ATOM 17116 OH2 TIP3 5606 44.661 18.525 -6.223 1.00 0.00 WT1 O ATOM 17117 H1 TIP3 5606 44.480 18.264 -5.320 1.00 0.00 WT1 H ATOM 17118 H2 TIP3 5606 43.875 18.997 -6.498 1.00 0.00 WT1 H ATOM 17119 OH2 TIP3 5607 46.875 37.543 -18.644 1.00 0.00 WT1 O ATOM 17120 H1 TIP3 5607 46.718 38.444 -18.360 1.00 0.00 WT1 H ATOM 17121 H2 TIP3 5607 47.649 37.599 -19.204 1.00 0.00 WT1 H ATOM 17122 OH2 TIP3 5608 49.652 13.501 -17.317 1.00 0.00 WT1 O ATOM 17123 H1 TIP3 5608 49.928 14.057 -18.046 1.00 0.00 WT1 H ATOM 17124 H2 TIP3 5608 50.470 13.210 -16.914 1.00 0.00 WT1 H ATOM 17125 OH2 TIP3 5609 88.282 40.282 55.570 1.00 0.00 WT1 O ATOM 17126 H1 TIP3 5609 88.512 39.797 56.363 1.00 0.00 WT1 H ATOM 17127 H2 TIP3 5609 87.400 40.614 55.740 1.00 0.00 WT1 H ATOM 17128 OH2 TIP3 5610 68.108 41.611 -5.231 1.00 0.00 WT1 O ATOM 17129 H1 TIP3 5610 68.042 41.089 -6.031 1.00 0.00 WT1 H ATOM 17130 H2 TIP3 5610 67.426 42.276 -5.321 1.00 0.00 WT1 H ATOM 17131 OH2 TIP3 5611 71.594 29.243 59.415 1.00 0.00 WT1 O ATOM 17132 H1 TIP3 5611 72.219 28.768 58.867 1.00 0.00 WT1 H ATOM 17133 H2 TIP3 5611 72.139 29.751 60.016 1.00 0.00 WT1 H ATOM 17134 OH2 TIP3 5612 61.960 67.193 43.558 1.00 0.00 WT1 O ATOM 17135 H1 TIP3 5612 61.106 67.010 43.167 1.00 0.00 WT1 H ATOM 17136 H2 TIP3 5612 62.312 66.332 43.781 1.00 0.00 WT1 H ATOM 17137 OH2 TIP3 5613 70.967 35.482 46.550 1.00 0.00 WT1 O ATOM 17138 H1 TIP3 5613 71.562 36.149 46.209 1.00 0.00 WT1 H ATOM 17139 H2 TIP3 5613 71.510 34.698 46.637 1.00 0.00 WT1 H ATOM 17140 OH2 TIP3 5614 46.534 75.057 15.430 1.00 0.00 WT1 O ATOM 17141 H1 TIP3 5614 47.299 75.095 16.004 1.00 0.00 WT1 H ATOM 17142 H2 TIP3 5614 46.052 74.284 15.723 1.00 0.00 WT1 H ATOM 17143 OH2 TIP3 5615 68.763 57.459 23.336 1.00 0.00 WT1 O ATOM 17144 H1 TIP3 5615 68.326 56.614 23.228 1.00 0.00 WT1 H ATOM 17145 H2 TIP3 5615 68.077 58.045 23.655 1.00 0.00 WT1 H ATOM 17146 OH2 TIP3 5616 27.137 80.498 -10.776 1.00 0.00 WT1 O ATOM 17147 H1 TIP3 5616 27.248 79.551 -10.865 1.00 0.00 WT1 H ATOM 17148 H2 TIP3 5616 27.682 80.870 -11.469 1.00 0.00 WT1 H ATOM 17149 OH2 TIP3 5618 54.648 38.599 -3.043 1.00 0.00 WT1 O ATOM 17150 H1 TIP3 5618 53.815 38.342 -3.440 1.00 0.00 WT1 H ATOM 17151 H2 TIP3 5618 54.864 39.433 -3.460 1.00 0.00 WT1 H ATOM 17152 OH2 TIP3 5626 73.073 55.826 57.994 1.00 0.00 WT1 O ATOM 17153 H1 TIP3 5626 72.421 55.586 57.336 1.00 0.00 WT1 H ATOM 17154 H2 TIP3 5626 72.620 55.721 58.831 1.00 0.00 WT1 H ATOM 17155 OH2 TIP3 5630 53.328 21.511 35.435 1.00 0.00 WT1 O ATOM 17156 H1 TIP3 5630 52.400 21.359 35.259 1.00 0.00 WT1 H ATOM 17157 H2 TIP3 5630 53.749 21.447 34.578 1.00 0.00 WT1 H ATOM 17158 OH2 TIP3 5631 86.832 21.891 -0.141 1.00 0.00 WT1 O ATOM 17159 H1 TIP3 5631 86.500 22.774 -0.300 1.00 0.00 WT1 H ATOM 17160 H2 TIP3 5631 87.612 22.021 0.398 1.00 0.00 WT1 H ATOM 17161 OH2 TIP3 5632 53.726 95.745 65.551 1.00 0.00 WT1 O ATOM 17162 H1 TIP3 5632 54.569 96.181 65.674 1.00 0.00 WT1 H ATOM 17163 H2 TIP3 5632 53.310 96.222 64.833 1.00 0.00 WT1 H ATOM 17164 OH2 TIP3 5633 60.067 37.624 -15.040 1.00 0.00 WT1 O ATOM 17165 H1 TIP3 5633 59.544 38.282 -14.583 1.00 0.00 WT1 H ATOM 17166 H2 TIP3 5633 60.600 37.222 -14.354 1.00 0.00 WT1 H ATOM 17167 OH2 TIP3 5636 58.907 60.061 -0.260 1.00 0.00 WT1 O ATOM 17168 H1 TIP3 5636 58.193 59.776 0.311 1.00 0.00 WT1 H ATOM 17169 H2 TIP3 5636 59.388 60.704 0.261 1.00 0.00 WT1 H ATOM 17170 OH2 TIP3 5637 58.033 31.412 -10.928 1.00 0.00 WT1 O ATOM 17171 H1 TIP3 5637 57.690 31.961 -11.633 1.00 0.00 WT1 H ATOM 17172 H2 TIP3 5637 58.901 31.147 -11.231 1.00 0.00 WT1 H ATOM 17173 OH2 TIP3 5642 24.247 67.330 54.922 1.00 0.00 WT1 O ATOM 17174 H1 TIP3 5642 23.539 67.850 55.303 1.00 0.00 WT1 H ATOM 17175 H2 TIP3 5642 24.725 67.947 54.367 1.00 0.00 WT1 H ATOM 17176 OH2 TIP3 5647 63.973 19.987 -16.860 1.00 0.00 WT1 O ATOM 17177 H1 TIP3 5647 64.697 19.826 -16.255 1.00 0.00 WT1 H ATOM 17178 H2 TIP3 5647 64.267 20.725 -17.394 1.00 0.00 WT1 H ATOM 17179 OH2 TIP3 5648 36.965 26.204 15.044 1.00 0.00 WT1 O ATOM 17180 H1 TIP3 5648 36.101 25.793 15.054 1.00 0.00 WT1 H ATOM 17181 H2 TIP3 5648 37.321 25.994 14.181 1.00 0.00 WT1 H ATOM 17182 OH2 TIP3 5649 56.393 83.051 59.188 1.00 0.00 WT1 O ATOM 17183 H1 TIP3 5649 56.112 83.531 58.409 1.00 0.00 WT1 H ATOM 17184 H2 TIP3 5649 56.658 83.731 59.806 1.00 0.00 WT1 H ATOM 17185 OH2 TIP3 5650 60.474 34.551 51.766 1.00 0.00 WT1 O ATOM 17186 H1 TIP3 5650 60.321 35.233 52.419 1.00 0.00 WT1 H ATOM 17187 H2 TIP3 5650 59.950 34.820 51.011 1.00 0.00 WT1 H ATOM 17188 OH2 TIP3 5651 83.077 62.919 57.914 1.00 0.00 WT1 O ATOM 17189 H1 TIP3 5651 83.413 62.210 57.366 1.00 0.00 WT1 H ATOM 17190 H2 TIP3 5651 82.230 62.600 58.226 1.00 0.00 WT1 H ATOM 17191 OH2 TIP3 5653 40.529 62.175 51.062 1.00 0.00 WT1 O ATOM 17192 H1 TIP3 5653 40.371 62.556 50.199 1.00 0.00 WT1 H ATOM 17193 H2 TIP3 5653 41.044 62.835 51.526 1.00 0.00 WT1 H ATOM 17194 OH2 TIP3 5654 73.585 92.555 40.568 1.00 0.00 WT1 O ATOM 17195 H1 TIP3 5654 72.701 92.285 40.322 1.00 0.00 WT1 H ATOM 17196 H2 TIP3 5654 73.465 93.400 41.004 1.00 0.00 WT1 H ATOM 17197 OH2 TIP3 5655 38.505 24.288 49.983 1.00 0.00 WT1 O ATOM 17198 H1 TIP3 5655 38.605 24.088 49.052 1.00 0.00 WT1 H ATOM 17199 H2 TIP3 5655 39.071 25.045 50.129 1.00 0.00 WT1 H ATOM 17200 OH2 TIP3 5656 71.760 85.427 64.891 1.00 0.00 WT1 O ATOM 17201 H1 TIP3 5656 72.080 85.231 65.772 1.00 0.00 WT1 H ATOM 17202 H2 TIP3 5656 71.066 86.072 65.025 1.00 0.00 WT1 H ATOM 17203 OH2 TIP3 5657 70.394 42.520 17.197 1.00 0.00 WT1 O ATOM 17204 H1 TIP3 5657 71.042 42.410 16.501 1.00 0.00 WT1 H ATOM 17205 H2 TIP3 5657 69.852 43.254 16.906 1.00 0.00 WT1 H ATOM 17206 OH2 TIP3 5658 36.279 19.256 14.245 1.00 0.00 WT1 O ATOM 17207 H1 TIP3 5658 36.872 19.927 13.907 1.00 0.00 WT1 H ATOM 17208 H2 TIP3 5658 36.351 18.535 13.619 1.00 0.00 WT1 H ATOM 17209 OH2 TIP3 5663 52.000 45.633 -4.607 1.00 0.00 WT1 O ATOM 17210 H1 TIP3 5663 52.871 45.546 -4.219 1.00 0.00 WT1 H ATOM 17211 H2 TIP3 5663 51.635 46.419 -4.203 1.00 0.00 WT1 H ATOM 17212 OH2 TIP3 5664 78.677 22.911 39.339 1.00 0.00 WT1 O ATOM 17213 H1 TIP3 5664 78.098 22.390 38.782 1.00 0.00 WT1 H ATOM 17214 H2 TIP3 5664 78.486 23.818 39.102 1.00 0.00 WT1 H ATOM 17215 OH2 TIP3 5668 60.423 27.332 22.594 1.00 0.00 WT1 O ATOM 17216 H1 TIP3 5668 60.293 27.196 21.655 1.00 0.00 WT1 H ATOM 17217 H2 TIP3 5668 59.542 27.302 22.965 1.00 0.00 WT1 H ATOM 17218 OH2 TIP3 5669 84.495 75.408 64.532 1.00 0.00 WT1 O ATOM 17219 H1 TIP3 5669 84.909 76.235 64.781 1.00 0.00 WT1 H ATOM 17220 H2 TIP3 5669 84.707 75.303 63.605 1.00 0.00 WT1 H ATOM 17221 OH2 TIP3 5670 31.157 49.507 35.926 1.00 0.00 WT1 O ATOM 17222 H1 TIP3 5670 31.002 48.619 36.246 1.00 0.00 WT1 H ATOM 17223 H2 TIP3 5670 31.016 49.450 34.981 1.00 0.00 WT1 H ATOM 17224 OH2 TIP3 5671 38.535 1.849 27.155 1.00 0.00 WT1 O ATOM 17225 H1 TIP3 5671 39.093 2.381 26.588 1.00 0.00 WT1 H ATOM 17226 H2 TIP3 5671 38.061 2.485 27.690 1.00 0.00 WT1 H ATOM 17227 OH2 TIP3 5673 66.858 95.176 40.368 1.00 0.00 WT1 O ATOM 17228 H1 TIP3 5673 67.487 94.454 40.357 1.00 0.00 WT1 H ATOM 17229 H2 TIP3 5673 67.294 95.880 39.888 1.00 0.00 WT1 H ATOM 17230 OH2 TIP3 5674 69.160 87.080 10.737 1.00 0.00 WT1 O ATOM 17231 H1 TIP3 5674 68.628 87.295 9.971 1.00 0.00 WT1 H ATOM 17232 H2 TIP3 5674 69.310 87.921 11.168 1.00 0.00 WT1 H ATOM 17233 OH2 TIP3 5675 77.850 39.523 16.845 1.00 0.00 WT1 O ATOM 17234 H1 TIP3 5675 78.397 38.753 16.999 1.00 0.00 WT1 H ATOM 17235 H2 TIP3 5675 78.358 40.063 16.240 1.00 0.00 WT1 H ATOM 17236 OH2 TIP3 5676 34.127 56.754 -13.537 1.00 0.00 WT1 O ATOM 17237 H1 TIP3 5676 34.667 56.030 -13.220 1.00 0.00 WT1 H ATOM 17238 H2 TIP3 5676 34.201 57.424 -12.857 1.00 0.00 WT1 H ATOM 17239 OH2 TIP3 5678 80.361 85.528 28.538 1.00 0.00 WT1 O ATOM 17240 H1 TIP3 5678 80.885 84.743 28.698 1.00 0.00 WT1 H ATOM 17241 H2 TIP3 5678 80.274 85.568 27.586 1.00 0.00 WT1 H ATOM 17242 OH2 TIP3 5679 32.415 58.296 29.472 1.00 0.00 WT1 O ATOM 17243 H1 TIP3 5679 32.540 58.257 30.421 1.00 0.00 WT1 H ATOM 17244 H2 TIP3 5679 33.223 58.686 29.139 1.00 0.00 WT1 H ATOM 17245 OH2 TIP3 5682 66.164 40.225 28.912 1.00 0.00 WT1 O ATOM 17246 H1 TIP3 5682 66.796 40.765 29.388 1.00 0.00 WT1 H ATOM 17247 H2 TIP3 5682 66.049 40.673 28.074 1.00 0.00 WT1 H ATOM 17248 OH2 TIP3 5683 74.438 83.294 -11.051 1.00 0.00 WT1 O ATOM 17249 H1 TIP3 5683 73.793 83.124 -10.364 1.00 0.00 WT1 H ATOM 17250 H2 TIP3 5683 73.965 83.138 -11.868 1.00 0.00 WT1 H ATOM 17251 OH2 TIP3 5687 52.821 15.558 -4.086 1.00 0.00 WT1 O ATOM 17252 H1 TIP3 5687 52.342 16.344 -4.350 1.00 0.00 WT1 H ATOM 17253 H2 TIP3 5687 53.656 15.887 -3.752 1.00 0.00 WT1 H ATOM 17254 OH2 TIP3 5690 70.354 86.075 21.793 1.00 0.00 WT1 O ATOM 17255 H1 TIP3 5690 69.675 86.662 21.462 1.00 0.00 WT1 H ATOM 17256 H2 TIP3 5690 69.897 85.253 21.971 1.00 0.00 WT1 H ATOM 17257 OH2 TIP3 5691 67.503 2.721 34.690 1.00 0.00 WT1 O ATOM 17258 H1 TIP3 5691 68.094 2.824 33.944 1.00 0.00 WT1 H ATOM 17259 H2 TIP3 5691 67.242 1.801 34.664 1.00 0.00 WT1 H ATOM 17260 OH2 TIP3 5692 34.079 22.781 -11.717 1.00 0.00 WT1 O ATOM 17261 H1 TIP3 5692 34.476 22.337 -12.465 1.00 0.00 WT1 H ATOM 17262 H2 TIP3 5692 33.136 22.672 -11.845 1.00 0.00 WT1 H ATOM 17263 OH2 TIP3 5694 87.361 43.754 39.186 1.00 0.00 WT1 O ATOM 17264 H1 TIP3 5694 86.721 44.450 39.038 1.00 0.00 WT1 H ATOM 17265 H2 TIP3 5694 87.144 43.408 40.051 1.00 0.00 WT1 H ATOM 17266 OH2 TIP3 5695 67.600 67.407 10.055 1.00 0.00 WT1 O ATOM 17267 H1 TIP3 5695 67.504 66.788 10.779 1.00 0.00 WT1 H ATOM 17268 H2 TIP3 5695 67.085 67.025 9.344 1.00 0.00 WT1 H ATOM 17269 OH2 TIP3 5697 31.066 25.355 -13.554 1.00 0.00 WT1 O ATOM 17270 H1 TIP3 5697 30.774 24.462 -13.738 1.00 0.00 WT1 H ATOM 17271 H2 TIP3 5697 31.611 25.273 -12.772 1.00 0.00 WT1 H ATOM 17272 OH2 TIP3 5698 46.067 54.786 26.923 1.00 0.00 WT1 O ATOM 17273 H1 TIP3 5698 46.516 55.576 26.623 1.00 0.00 WT1 H ATOM 17274 H2 TIP3 5698 46.235 54.139 26.238 1.00 0.00 WT1 H ATOM 17275 OH2 TIP3 5700 78.351 25.573 -11.948 1.00 0.00 WT1 O ATOM 17276 H1 TIP3 5700 79.289 25.765 -11.970 1.00 0.00 WT1 H ATOM 17277 H2 TIP3 5700 77.929 26.428 -12.032 1.00 0.00 WT1 H ATOM 17278 OH2 TIP3 5701 60.186 43.267 -0.935 1.00 0.00 WT1 O ATOM 17279 H1 TIP3 5701 61.091 43.500 -0.724 1.00 0.00 WT1 H ATOM 17280 H2 TIP3 5701 59.802 43.014 -0.095 1.00 0.00 WT1 H ATOM 17281 OH2 TIP3 5702 61.048 84.113 -12.411 1.00 0.00 WT1 O ATOM 17282 H1 TIP3 5702 61.080 83.578 -11.619 1.00 0.00 WT1 H ATOM 17283 H2 TIP3 5702 60.784 84.981 -12.105 1.00 0.00 WT1 H ATOM 17284 OH2 TIP3 5704 75.912 33.551 7.205 1.00 0.00 WT1 O ATOM 17285 H1 TIP3 5704 76.099 33.798 8.111 1.00 0.00 WT1 H ATOM 17286 H2 TIP3 5704 75.022 33.198 7.232 1.00 0.00 WT1 H ATOM 17287 OH2 TIP3 5705 53.386 58.102 18.118 1.00 0.00 WT1 O ATOM 17288 H1 TIP3 5705 52.493 58.345 17.872 1.00 0.00 WT1 H ATOM 17289 H2 TIP3 5705 53.322 57.851 19.039 1.00 0.00 WT1 H ATOM 17290 OH2 TIP3 5706 20.882 86.656 19.700 1.00 0.00 WT1 O ATOM 17291 H1 TIP3 5706 20.920 86.053 20.443 1.00 0.00 WT1 H ATOM 17292 H2 TIP3 5706 21.727 87.105 19.713 1.00 0.00 WT1 H ATOM 17293 OH2 TIP3 5709 77.335 78.831 18.841 1.00 0.00 WT1 O ATOM 17294 H1 TIP3 5709 77.642 78.656 19.731 1.00 0.00 WT1 H ATOM 17295 H2 TIP3 5709 76.539 78.306 18.754 1.00 0.00 WT1 H ATOM 17296 OH2 TIP3 5710 59.487 0.219 66.466 1.00 0.00 WT1 O ATOM 17297 H1 TIP3 5710 59.246 1.056 66.070 1.00 0.00 WT1 H ATOM 17298 H2 TIP3 5710 58.651 -0.219 66.629 1.00 0.00 WT1 H ATOM 17299 OH2 TIP3 5711 38.414 96.558 8.414 1.00 0.00 WT1 O ATOM 17300 H1 TIP3 5711 39.309 96.219 8.390 1.00 0.00 WT1 H ATOM 17301 H2 TIP3 5711 38.285 96.955 7.553 1.00 0.00 WT1 H ATOM 17302 OH2 TIP3 5713 64.472 2.818 10.441 1.00 0.00 WT1 O ATOM 17303 H1 TIP3 5713 64.335 3.020 9.516 1.00 0.00 WT1 H ATOM 17304 H2 TIP3 5713 65.134 2.127 10.440 1.00 0.00 WT1 H ATOM 17305 OH2 TIP3 5714 23.079 66.590 5.609 1.00 0.00 WT1 O ATOM 17306 H1 TIP3 5714 22.745 66.540 4.714 1.00 0.00 WT1 H ATOM 17307 H2 TIP3 5714 22.546 67.266 6.027 1.00 0.00 WT1 H ATOM 17308 OH2 TIP3 5716 33.694 6.152 19.451 1.00 0.00 WT1 O ATOM 17309 H1 TIP3 5716 34.009 6.073 20.351 1.00 0.00 WT1 H ATOM 17310 H2 TIP3 5716 34.353 6.691 19.013 1.00 0.00 WT1 H ATOM 17311 OH2 TIP3 5717 73.557 20.887 58.849 1.00 0.00 WT1 O ATOM 17312 H1 TIP3 5717 72.760 20.783 59.370 1.00 0.00 WT1 H ATOM 17313 H2 TIP3 5717 74.209 21.211 59.470 1.00 0.00 WT1 H ATOM 17314 OH2 TIP3 5718 22.793 52.042 64.951 1.00 0.00 WT1 O ATOM 17315 H1 TIP3 5718 23.375 52.794 64.836 1.00 0.00 WT1 H ATOM 17316 H2 TIP3 5718 22.718 51.940 65.899 1.00 0.00 WT1 H ATOM 17317 OH2 TIP3 5719 48.013 60.175 10.570 1.00 0.00 WT1 O ATOM 17318 H1 TIP3 5719 48.191 60.898 9.968 1.00 0.00 WT1 H ATOM 17319 H2 TIP3 5719 48.803 60.109 11.106 1.00 0.00 WT1 H ATOM 17320 OH2 TIP3 5720 52.842 13.933 17.996 1.00 0.00 WT1 O ATOM 17321 H1 TIP3 5720 51.935 13.964 18.299 1.00 0.00 WT1 H ATOM 17322 H2 TIP3 5720 53.042 14.834 17.744 1.00 0.00 WT1 H ATOM 17323 OH2 TIP3 5722 21.257 55.777 0.451 1.00 0.00 WT1 O ATOM 17324 H1 TIP3 5722 22.008 56.311 0.710 1.00 0.00 WT1 H ATOM 17325 H2 TIP3 5722 21.524 54.878 0.644 1.00 0.00 WT1 H ATOM 17326 OH2 TIP3 5723 76.660 29.247 63.678 1.00 0.00 WT1 O ATOM 17327 H1 TIP3 5723 75.703 29.250 63.662 1.00 0.00 WT1 H ATOM 17328 H2 TIP3 5723 76.909 28.618 63.000 1.00 0.00 WT1 H ATOM 17329 OH2 TIP3 5726 43.390 30.070 46.638 1.00 0.00 WT1 O ATOM 17330 H1 TIP3 5726 43.839 30.894 46.451 1.00 0.00 WT1 H ATOM 17331 H2 TIP3 5726 43.979 29.394 46.302 1.00 0.00 WT1 H ATOM 17332 OH2 TIP3 5727 79.767 76.481 -8.057 1.00 0.00 WT1 O ATOM 17333 H1 TIP3 5727 79.271 75.862 -7.522 1.00 0.00 WT1 H ATOM 17334 H2 TIP3 5727 80.564 76.648 -7.554 1.00 0.00 WT1 H ATOM 17335 OH2 TIP3 5728 82.931 37.802 26.267 1.00 0.00 WT1 O ATOM 17336 H1 TIP3 5728 83.446 38.220 25.577 1.00 0.00 WT1 H ATOM 17337 H2 TIP3 5728 83.012 38.389 27.018 1.00 0.00 WT1 H ATOM 17338 OH2 TIP3 5729 65.801 60.432 13.318 1.00 0.00 WT1 O ATOM 17339 H1 TIP3 5729 65.976 59.502 13.172 1.00 0.00 WT1 H ATOM 17340 H2 TIP3 5729 64.886 60.464 13.596 1.00 0.00 WT1 H ATOM 17341 OH2 TIP3 5730 85.421 39.686 -14.860 1.00 0.00 WT1 O ATOM 17342 H1 TIP3 5730 85.936 40.488 -14.775 1.00 0.00 WT1 H ATOM 17343 H2 TIP3 5730 84.590 39.973 -15.239 1.00 0.00 WT1 H ATOM 17344 OH2 TIP3 5732 75.335 69.180 8.673 1.00 0.00 WT1 O ATOM 17345 H1 TIP3 5732 74.597 68.596 8.497 1.00 0.00 WT1 H ATOM 17346 H2 TIP3 5732 76.104 68.688 8.384 1.00 0.00 WT1 H ATOM 17347 OH2 TIP3 5733 46.983 95.021 47.026 1.00 0.00 WT1 O ATOM 17348 H1 TIP3 5733 47.761 94.924 46.477 1.00 0.00 WT1 H ATOM 17349 H2 TIP3 5733 46.354 95.483 46.472 1.00 0.00 WT1 H ATOM 17350 OH2 TIP3 5734 36.235 59.713 6.858 1.00 0.00 WT1 O ATOM 17351 H1 TIP3 5734 35.470 59.153 6.723 1.00 0.00 WT1 H ATOM 17352 H2 TIP3 5734 36.822 59.189 7.403 1.00 0.00 WT1 H ATOM 17353 OH2 TIP3 5735 69.878 1.419 65.273 1.00 0.00 WT1 O ATOM 17354 H1 TIP3 5735 70.612 0.949 64.877 1.00 0.00 WT1 H ATOM 17355 H2 TIP3 5735 69.873 2.270 64.835 1.00 0.00 WT1 H ATOM 17356 OH2 TIP3 5736 74.184 14.751 40.713 1.00 0.00 WT1 O ATOM 17357 H1 TIP3 5736 74.565 13.895 40.908 1.00 0.00 WT1 H ATOM 17358 H2 TIP3 5736 74.933 15.298 40.476 1.00 0.00 WT1 H ATOM 17359 OH2 TIP3 5737 65.774 56.837 18.957 1.00 0.00 WT1 O ATOM 17360 H1 TIP3 5737 65.181 56.774 19.706 1.00 0.00 WT1 H ATOM 17361 H2 TIP3 5737 65.337 56.341 18.264 1.00 0.00 WT1 H ATOM 17362 OH2 TIP3 5738 34.073 96.492 34.948 1.00 0.00 WT1 O ATOM 17363 H1 TIP3 5738 34.765 95.834 35.015 1.00 0.00 WT1 H ATOM 17364 H2 TIP3 5738 34.354 97.064 34.234 1.00 0.00 WT1 H ATOM 17365 OH2 TIP3 5741 46.872 83.824 6.642 1.00 0.00 WT1 O ATOM 17366 H1 TIP3 5741 46.877 83.801 7.599 1.00 0.00 WT1 H ATOM 17367 H2 TIP3 5741 47.531 84.479 6.415 1.00 0.00 WT1 H ATOM 17368 OH2 TIP3 5742 68.598 82.997 26.053 1.00 0.00 WT1 O ATOM 17369 H1 TIP3 5742 68.240 82.505 25.315 1.00 0.00 WT1 H ATOM 17370 H2 TIP3 5742 69.353 82.483 26.341 1.00 0.00 WT1 H ATOM 17371 OH2 TIP3 5744 46.180 15.721 -3.980 1.00 0.00 WT1 O ATOM 17372 H1 TIP3 5744 46.705 16.488 -3.749 1.00 0.00 WT1 H ATOM 17373 H2 TIP3 5744 46.114 15.222 -3.166 1.00 0.00 WT1 H ATOM 17374 OH2 TIP3 5746 48.868 34.368 61.418 1.00 0.00 WT1 O ATOM 17375 H1 TIP3 5746 47.984 34.645 61.660 1.00 0.00 WT1 H ATOM 17376 H2 TIP3 5746 49.003 34.732 60.543 1.00 0.00 WT1 H ATOM 17377 OH2 TIP3 5748 62.588 32.887 -9.177 1.00 0.00 WT1 O ATOM 17378 H1 TIP3 5748 62.727 33.433 -8.403 1.00 0.00 WT1 H ATOM 17379 H2 TIP3 5748 62.324 32.037 -8.826 1.00 0.00 WT1 H ATOM 17380 OH2 TIP3 5749 58.691 83.448 56.492 1.00 0.00 WT1 O ATOM 17381 H1 TIP3 5749 57.924 82.882 56.408 1.00 0.00 WT1 H ATOM 17382 H2 TIP3 5749 58.472 84.228 55.983 1.00 0.00 WT1 H ATOM 17383 OH2 TIP3 5750 64.561 72.822 17.051 1.00 0.00 WT1 O ATOM 17384 H1 TIP3 5750 64.341 71.894 17.139 1.00 0.00 WT1 H ATOM 17385 H2 TIP3 5750 64.151 73.088 16.228 1.00 0.00 WT1 H ATOM 17386 OH2 TIP3 5752 33.151 65.786 51.535 1.00 0.00 WT1 O ATOM 17387 H1 TIP3 5752 33.341 65.759 50.597 1.00 0.00 WT1 H ATOM 17388 H2 TIP3 5752 33.988 65.589 51.955 1.00 0.00 WT1 H ATOM 17389 OH2 TIP3 5753 29.149 74.379 27.071 1.00 0.00 WT1 O ATOM 17390 H1 TIP3 5753 29.849 75.020 27.197 1.00 0.00 WT1 H ATOM 17391 H2 TIP3 5753 29.605 73.561 26.876 1.00 0.00 WT1 H ATOM 17392 OH2 TIP3 5754 22.862 32.831 34.918 1.00 0.00 WT1 O ATOM 17393 H1 TIP3 5754 22.717 33.708 34.562 1.00 0.00 WT1 H ATOM 17394 H2 TIP3 5754 23.426 32.402 34.274 1.00 0.00 WT1 H ATOM 17395 OH2 TIP3 5755 63.555 19.175 60.752 1.00 0.00 WT1 O ATOM 17396 H1 TIP3 5755 63.724 19.980 61.241 1.00 0.00 WT1 H ATOM 17397 H2 TIP3 5755 62.740 18.836 61.122 1.00 0.00 WT1 H ATOM 17398 OH2 TIP3 5756 41.814 2.304 4.257 1.00 0.00 WT1 O ATOM 17399 H1 TIP3 5756 42.382 1.866 3.623 1.00 0.00 WT1 H ATOM 17400 H2 TIP3 5756 40.952 1.910 4.119 1.00 0.00 WT1 H ATOM 17401 OH2 TIP3 5757 35.730 81.035 46.907 1.00 0.00 WT1 O ATOM 17402 H1 TIP3 5757 36.201 81.030 46.073 1.00 0.00 WT1 H ATOM 17403 H2 TIP3 5757 34.819 81.205 46.667 1.00 0.00 WT1 H ATOM 17404 OH2 TIP3 5758 48.099 8.311 -13.450 1.00 0.00 WT1 O ATOM 17405 H1 TIP3 5758 48.727 9.030 -13.388 1.00 0.00 WT1 H ATOM 17406 H2 TIP3 5758 47.432 8.517 -12.795 1.00 0.00 WT1 H ATOM 17407 OH2 TIP3 5759 86.324 33.493 40.692 1.00 0.00 WT1 O ATOM 17408 H1 TIP3 5759 86.110 33.628 39.769 1.00 0.00 WT1 H ATOM 17409 H2 TIP3 5759 87.223 33.164 40.684 1.00 0.00 WT1 H ATOM 17410 OH2 TIP3 5760 37.025 81.385 35.067 1.00 0.00 WT1 O ATOM 17411 H1 TIP3 5760 37.098 80.925 34.231 1.00 0.00 WT1 H ATOM 17412 H2 TIP3 5760 37.634 80.928 35.648 1.00 0.00 WT1 H ATOM 17413 OH2 TIP3 5761 22.653 58.888 -1.855 1.00 0.00 WT1 O ATOM 17414 H1 TIP3 5761 22.616 59.528 -1.144 1.00 0.00 WT1 H ATOM 17415 H2 TIP3 5761 23.573 58.627 -1.895 1.00 0.00 WT1 H ATOM 17416 OH2 TIP3 5762 60.201 10.717 21.403 1.00 0.00 WT1 O ATOM 17417 H1 TIP3 5762 59.965 11.497 20.900 1.00 0.00 WT1 H ATOM 17418 H2 TIP3 5762 60.720 10.189 20.797 1.00 0.00 WT1 H ATOM 17419 OH2 TIP3 5763 75.903 63.569 46.802 1.00 0.00 WT1 O ATOM 17420 H1 TIP3 5763 76.759 63.936 47.021 1.00 0.00 WT1 H ATOM 17421 H2 TIP3 5763 75.578 64.124 46.093 1.00 0.00 WT1 H ATOM 17422 OH2 TIP3 5764 69.025 38.287 66.318 1.00 0.00 WT1 O ATOM 17423 H1 TIP3 5764 68.485 37.649 65.852 1.00 0.00 WT1 H ATOM 17424 H2 TIP3 5764 68.717 38.245 67.223 1.00 0.00 WT1 H ATOM 17425 OH2 TIP3 5765 54.391 16.515 -16.688 1.00 0.00 WT1 O ATOM 17426 H1 TIP3 5765 54.544 17.401 -17.015 1.00 0.00 WT1 H ATOM 17427 H2 TIP3 5765 55.193 16.038 -16.902 1.00 0.00 WT1 H ATOM 17428 OH2 TIP3 5767 75.696 86.285 18.538 1.00 0.00 WT1 O ATOM 17429 H1 TIP3 5767 75.471 86.555 17.648 1.00 0.00 WT1 H ATOM 17430 H2 TIP3 5767 74.888 85.910 18.887 1.00 0.00 WT1 H ATOM 17431 OH2 TIP3 5768 38.451 69.923 21.164 1.00 0.00 WT1 O ATOM 17432 H1 TIP3 5768 38.727 69.371 21.896 1.00 0.00 WT1 H ATOM 17433 H2 TIP3 5768 38.986 69.628 20.427 1.00 0.00 WT1 H ATOM 17434 OH2 TIP3 5769 71.797 67.616 24.787 1.00 0.00 WT1 O ATOM 17435 H1 TIP3 5769 71.499 67.660 23.879 1.00 0.00 WT1 H ATOM 17436 H2 TIP3 5769 71.122 67.108 25.237 1.00 0.00 WT1 H ATOM 17437 OH2 TIP3 5772 42.032 56.407 45.481 1.00 0.00 WT1 O ATOM 17438 H1 TIP3 5772 41.759 57.219 45.055 1.00 0.00 WT1 H ATOM 17439 H2 TIP3 5772 42.191 55.799 44.759 1.00 0.00 WT1 H ATOM 17440 OH2 TIP3 5773 48.577 70.650 6.983 1.00 0.00 WT1 O ATOM 17441 H1 TIP3 5773 48.366 69.956 7.607 1.00 0.00 WT1 H ATOM 17442 H2 TIP3 5773 49.393 71.028 7.310 1.00 0.00 WT1 H ATOM 17443 OH2 TIP3 5774 46.226 54.067 -10.641 1.00 0.00 WT1 O ATOM 17444 H1 TIP3 5774 46.542 54.203 -9.748 1.00 0.00 WT1 H ATOM 17445 H2 TIP3 5774 45.931 54.931 -10.926 1.00 0.00 WT1 H ATOM 17446 OH2 TIP3 5775 79.626 76.658 -4.044 1.00 0.00 WT1 O ATOM 17447 H1 TIP3 5775 79.502 77.551 -4.365 1.00 0.00 WT1 H ATOM 17448 H2 TIP3 5775 79.644 76.120 -4.835 1.00 0.00 WT1 H ATOM 17449 OH2 TIP3 5776 21.146 49.111 63.870 1.00 0.00 WT1 O ATOM 17450 H1 TIP3 5776 21.961 49.490 63.542 1.00 0.00 WT1 H ATOM 17451 H2 TIP3 5776 20.988 48.354 63.305 1.00 0.00 WT1 H ATOM 17452 OH2 TIP3 5777 26.764 1.017 -3.329 1.00 0.00 WT1 O ATOM 17453 H1 TIP3 5777 27.666 1.088 -3.017 1.00 0.00 WT1 H ATOM 17454 H2 TIP3 5777 26.651 1.771 -3.908 1.00 0.00 WT1 H ATOM 17455 OH2 TIP3 5778 86.072 33.952 49.747 1.00 0.00 WT1 O ATOM 17456 H1 TIP3 5778 86.496 33.338 49.148 1.00 0.00 WT1 H ATOM 17457 H2 TIP3 5778 85.237 33.538 49.963 1.00 0.00 WT1 H ATOM 17458 OH2 TIP3 5779 22.479 71.652 -1.627 1.00 0.00 WT1 O ATOM 17459 H1 TIP3 5779 22.896 70.832 -1.891 1.00 0.00 WT1 H ATOM 17460 H2 TIP3 5779 21.671 71.381 -1.190 1.00 0.00 WT1 H ATOM 17461 OH2 TIP3 5780 58.167 17.808 17.547 1.00 0.00 WT1 O ATOM 17462 H1 TIP3 5780 58.756 18.253 16.937 1.00 0.00 WT1 H ATOM 17463 H2 TIP3 5780 57.714 18.518 18.003 1.00 0.00 WT1 H ATOM 17464 OH2 TIP3 5781 25.262 92.493 -1.110 1.00 0.00 WT1 O ATOM 17465 H1 TIP3 5781 25.284 91.767 -1.734 1.00 0.00 WT1 H ATOM 17466 H2 TIP3 5781 25.025 93.256 -1.637 1.00 0.00 WT1 H ATOM 17467 OH2 TIP3 5782 26.591 66.391 16.974 1.00 0.00 WT1 O ATOM 17468 H1 TIP3 5782 26.585 67.347 16.927 1.00 0.00 WT1 H ATOM 17469 H2 TIP3 5782 27.140 66.190 17.732 1.00 0.00 WT1 H ATOM 17470 OH2 TIP3 5783 20.427 72.926 63.392 1.00 0.00 WT1 O ATOM 17471 H1 TIP3 5783 20.860 73.433 64.078 1.00 0.00 WT1 H ATOM 17472 H2 TIP3 5783 20.472 72.020 63.698 1.00 0.00 WT1 H ATOM 17473 OH2 TIP3 5784 38.998 13.426 47.221 1.00 0.00 WT1 O ATOM 17474 H1 TIP3 5784 39.517 13.879 46.558 1.00 0.00 WT1 H ATOM 17475 H2 TIP3 5784 39.377 13.704 48.055 1.00 0.00 WT1 H ATOM 17476 OH2 TIP3 5785 42.252 44.940 51.717 1.00 0.00 WT1 O ATOM 17477 H1 TIP3 5785 42.868 44.949 52.450 1.00 0.00 WT1 H ATOM 17478 H2 TIP3 5785 42.699 45.424 51.023 1.00 0.00 WT1 H ATOM 17479 OH2 TIP3 5786 82.598 79.274 21.150 1.00 0.00 WT1 O ATOM 17480 H1 TIP3 5786 83.515 79.357 20.891 1.00 0.00 WT1 H ATOM 17481 H2 TIP3 5786 82.617 78.705 21.920 1.00 0.00 WT1 H ATOM 17482 OH2 TIP3 5787 61.220 14.622 64.575 1.00 0.00 WT1 O ATOM 17483 H1 TIP3 5787 60.306 14.656 64.291 1.00 0.00 WT1 H ATOM 17484 H2 TIP3 5787 61.214 15.010 65.450 1.00 0.00 WT1 H ATOM 17485 OH2 TIP3 5788 90.538 18.182 54.772 1.00 0.00 WT1 O ATOM 17486 H1 TIP3 5788 90.091 18.146 55.617 1.00 0.00 WT1 H ATOM 17487 H2 TIP3 5788 90.357 17.333 54.368 1.00 0.00 WT1 H ATOM 17488 OH2 TIP3 5789 87.069 0.337 16.265 1.00 0.00 WT1 O ATOM 17489 H1 TIP3 5789 86.930 1.284 16.292 1.00 0.00 WT1 H ATOM 17490 H2 TIP3 5789 86.412 0.015 15.648 1.00 0.00 WT1 H ATOM 17491 OH2 TIP3 5790 54.146 95.489 13.310 1.00 0.00 WT1 O ATOM 17492 H1 TIP3 5790 54.891 95.367 12.721 1.00 0.00 WT1 H ATOM 17493 H2 TIP3 5790 54.257 96.373 13.658 1.00 0.00 WT1 H ATOM 17494 OH2 TIP3 5791 25.768 91.362 44.965 1.00 0.00 WT1 O ATOM 17495 H1 TIP3 5791 25.740 92.010 44.261 1.00 0.00 WT1 H ATOM 17496 H2 TIP3 5791 26.680 91.362 45.255 1.00 0.00 WT1 H ATOM 17497 OH2 TIP3 5792 27.811 27.718 66.236 1.00 0.00 WT1 O ATOM 17498 H1 TIP3 5792 27.121 27.081 66.420 1.00 0.00 WT1 H ATOM 17499 H2 TIP3 5792 28.499 27.517 66.871 1.00 0.00 WT1 H ATOM 17500 OH2 TIP3 5793 74.092 36.074 -11.711 1.00 0.00 WT1 O ATOM 17501 H1 TIP3 5793 74.461 35.767 -10.883 1.00 0.00 WT1 H ATOM 17502 H2 TIP3 5793 74.821 36.029 -12.330 1.00 0.00 WT1 H ATOM 17503 OH2 TIP3 5794 53.773 86.462 5.617 1.00 0.00 WT1 O ATOM 17504 H1 TIP3 5794 52.981 86.349 6.142 1.00 0.00 WT1 H ATOM 17505 H2 TIP3 5794 54.302 85.689 5.812 1.00 0.00 WT1 H ATOM 17506 OH2 TIP3 5795 82.665 92.152 15.172 1.00 0.00 WT1 O ATOM 17507 H1 TIP3 5795 83.262 91.566 15.638 1.00 0.00 WT1 H ATOM 17508 H2 TIP3 5795 83.235 92.817 14.785 1.00 0.00 WT1 H ATOM 17509 OH2 TIP3 5796 63.756 0.635 16.941 1.00 0.00 WT1 O ATOM 17510 H1 TIP3 5796 64.578 1.005 17.263 1.00 0.00 WT1 H ATOM 17511 H2 TIP3 5796 63.343 0.257 17.718 1.00 0.00 WT1 H ATOM 17512 OH2 TIP3 5797 44.943 77.374 16.891 1.00 0.00 WT1 O ATOM 17513 H1 TIP3 5797 44.426 76.803 16.322 1.00 0.00 WT1 H ATOM 17514 H2 TIP3 5797 45.812 77.390 16.490 1.00 0.00 WT1 H ATOM 17515 OH2 TIP3 5798 89.844 54.833 36.819 1.00 0.00 WT1 O ATOM 17516 H1 TIP3 5798 90.092 54.745 37.739 1.00 0.00 WT1 H ATOM 17517 H2 TIP3 5798 89.384 54.019 36.615 1.00 0.00 WT1 H ATOM 17518 OH2 TIP3 5799 25.313 86.174 2.702 1.00 0.00 WT1 O ATOM 17519 H1 TIP3 5799 25.368 87.056 3.068 1.00 0.00 WT1 H ATOM 17520 H2 TIP3 5799 26.197 85.991 2.383 1.00 0.00 WT1 H ATOM 17521 OH2 TIP3 5800 59.792 82.356 -4.445 1.00 0.00 WT1 O ATOM 17522 H1 TIP3 5800 59.358 81.929 -5.184 1.00 0.00 WT1 H ATOM 17523 H2 TIP3 5800 59.112 82.425 -3.774 1.00 0.00 WT1 H ATOM 17524 OH2 TIP3 5801 66.554 28.179 38.665 1.00 0.00 WT1 O ATOM 17525 H1 TIP3 5801 66.752 28.481 39.551 1.00 0.00 WT1 H ATOM 17526 H2 TIP3 5801 65.803 27.595 38.772 1.00 0.00 WT1 H ATOM 17527 OH2 TIP3 5802 45.924 11.068 6.902 1.00 0.00 WT1 O ATOM 17528 H1 TIP3 5802 45.398 11.716 7.370 1.00 0.00 WT1 H ATOM 17529 H2 TIP3 5802 46.388 11.572 6.234 1.00 0.00 WT1 H ATOM 17530 OH2 TIP3 5803 54.597 64.371 12.059 1.00 0.00 WT1 O ATOM 17531 H1 TIP3 5803 55.450 63.989 12.266 1.00 0.00 WT1 H ATOM 17532 H2 TIP3 5803 54.577 64.408 11.102 1.00 0.00 WT1 H ATOM 17533 OH2 TIP3 5804 71.519 37.523 -4.939 1.00 0.00 WT1 O ATOM 17534 H1 TIP3 5804 71.061 38.122 -4.351 1.00 0.00 WT1 H ATOM 17535 H2 TIP3 5804 72.162 38.072 -5.388 1.00 0.00 WT1 H ATOM 17536 OH2 TIP3 5805 67.032 84.875 66.570 1.00 0.00 WT1 O ATOM 17537 H1 TIP3 5805 67.341 84.844 65.665 1.00 0.00 WT1 H ATOM 17538 H2 TIP3 5805 66.135 84.544 66.529 1.00 0.00 WT1 H ATOM 17539 OH2 TIP3 5806 34.875 91.433 -6.389 1.00 0.00 WT1 O ATOM 17540 H1 TIP3 5806 34.078 91.651 -5.905 1.00 0.00 WT1 H ATOM 17541 H2 TIP3 5806 34.963 90.485 -6.291 1.00 0.00 WT1 H ATOM 17542 OH2 TIP3 5807 58.699 94.273 26.651 1.00 0.00 WT1 O ATOM 17543 H1 TIP3 5807 59.538 94.515 26.260 1.00 0.00 WT1 H ATOM 17544 H2 TIP3 5807 58.813 93.361 26.920 1.00 0.00 WT1 H ATOM 17545 OH2 TIP3 5808 27.992 1.014 0.922 1.00 0.00 WT1 O ATOM 17546 H1 TIP3 5808 28.763 0.510 1.185 1.00 0.00 WT1 H ATOM 17547 H2 TIP3 5808 28.343 1.858 0.638 1.00 0.00 WT1 H ATOM 17548 OH2 TIP3 5809 61.238 7.023 21.865 1.00 0.00 WT1 O ATOM 17549 H1 TIP3 5809 61.428 6.155 21.509 1.00 0.00 WT1 H ATOM 17550 H2 TIP3 5809 60.605 7.400 21.254 1.00 0.00 WT1 H ATOM 17551 OH2 TIP3 5810 62.823 90.762 -11.439 1.00 0.00 WT1 O ATOM 17552 H1 TIP3 5810 62.425 90.192 -10.782 1.00 0.00 WT1 H ATOM 17553 H2 TIP3 5810 62.291 91.558 -11.421 1.00 0.00 WT1 H ATOM 17554 OH2 TIP3 5813 56.094 0.201 -0.163 1.00 0.00 WT1 O ATOM 17555 H1 TIP3 5813 56.695 -0.331 0.360 1.00 0.00 WT1 H ATOM 17556 H2 TIP3 5813 55.736 0.836 0.457 1.00 0.00 WT1 H ATOM 17557 OH2 TIP3 5814 79.246 57.833 54.240 1.00 0.00 WT1 O ATOM 17558 H1 TIP3 5814 78.591 57.136 54.205 1.00 0.00 WT1 H ATOM 17559 H2 TIP3 5814 79.967 57.461 54.748 1.00 0.00 WT1 H ATOM 17560 OH2 TIP3 5815 89.440 30.253 45.421 1.00 0.00 WT1 O ATOM 17561 H1 TIP3 5815 89.185 30.349 46.339 1.00 0.00 WT1 H ATOM 17562 H2 TIP3 5815 89.634 29.321 45.322 1.00 0.00 WT1 H ATOM 17563 OH2 TIP3 5816 71.542 30.478 35.400 1.00 0.00 WT1 O ATOM 17564 H1 TIP3 5816 72.399 30.427 35.824 1.00 0.00 WT1 H ATOM 17565 H2 TIP3 5816 71.564 31.299 34.910 1.00 0.00 WT1 H ATOM 17566 OH2 TIP3 5817 83.307 87.629 62.680 1.00 0.00 WT1 O ATOM 17567 H1 TIP3 5817 82.535 88.119 62.398 1.00 0.00 WT1 H ATOM 17568 H2 TIP3 5817 82.953 86.880 63.162 1.00 0.00 WT1 H ATOM 17569 OH2 TIP3 5818 41.946 49.839 -12.049 1.00 0.00 WT1 O ATOM 17570 H1 TIP3 5818 42.497 50.533 -12.411 1.00 0.00 WT1 H ATOM 17571 H2 TIP3 5818 41.364 50.290 -11.437 1.00 0.00 WT1 H ATOM 17572 OH2 TIP3 5819 33.744 4.787 0.139 1.00 0.00 WT1 O ATOM 17573 H1 TIP3 5819 33.349 4.906 1.002 1.00 0.00 WT1 H ATOM 17574 H2 TIP3 5819 34.434 4.138 0.278 1.00 0.00 WT1 H ATOM 17575 OH2 TIP3 5820 34.748 90.214 3.586 1.00 0.00 WT1 O ATOM 17576 H1 TIP3 5820 33.965 90.761 3.522 1.00 0.00 WT1 H ATOM 17577 H2 TIP3 5820 34.717 89.854 4.472 1.00 0.00 WT1 H ATOM 17578 OH2 TIP3 5821 65.225 1.506 -17.830 1.00 0.00 WT1 O ATOM 17579 H1 TIP3 5821 66.060 1.402 -17.374 1.00 0.00 WT1 H ATOM 17580 H2 TIP3 5821 64.617 1.804 -17.153 1.00 0.00 WT1 H ATOM 17581 OH2 TIP3 5822 64.692 73.854 -17.196 1.00 0.00 WT1 O ATOM 17582 H1 TIP3 5822 65.340 73.161 -17.069 1.00 0.00 WT1 H ATOM 17583 H2 TIP3 5822 64.539 73.869 -18.141 1.00 0.00 WT1 H ATOM 17584 OH2 TIP3 5823 26.338 37.343 -11.404 1.00 0.00 WT1 O ATOM 17585 H1 TIP3 5823 25.704 38.056 -11.329 1.00 0.00 WT1 H ATOM 17586 H2 TIP3 5823 26.349 37.128 -12.336 1.00 0.00 WT1 H ATOM 17587 OH2 TIP3 5824 64.525 57.815 -14.187 1.00 0.00 WT1 O ATOM 17588 H1 TIP3 5824 64.368 58.601 -14.709 1.00 0.00 WT1 H ATOM 17589 H2 TIP3 5824 64.452 58.110 -13.279 1.00 0.00 WT1 H ATOM 17590 OH2 TIP3 5826 71.389 60.253 29.982 1.00 0.00 WT1 O ATOM 17591 H1 TIP3 5826 71.320 59.591 30.670 1.00 0.00 WT1 H ATOM 17592 H2 TIP3 5826 70.482 60.458 29.754 1.00 0.00 WT1 H ATOM 17593 OH2 TIP3 5827 83.866 2.748 49.407 1.00 0.00 WT1 O ATOM 17594 H1 TIP3 5827 83.875 3.131 48.530 1.00 0.00 WT1 H ATOM 17595 H2 TIP3 5827 84.063 3.480 49.991 1.00 0.00 WT1 H ATOM 17596 OH2 TIP3 5828 25.247 96.472 -13.436 1.00 0.00 WT1 O ATOM 17597 H1 TIP3 5828 25.595 97.168 -12.878 1.00 0.00 WT1 H ATOM 17598 H2 TIP3 5828 25.975 95.858 -13.535 1.00 0.00 WT1 H ATOM 17599 OH2 TIP3 5830 57.183 74.215 26.226 1.00 0.00 WT1 O ATOM 17600 H1 TIP3 5830 57.004 73.282 26.341 1.00 0.00 WT1 H ATOM 17601 H2 TIP3 5830 56.645 74.472 25.477 1.00 0.00 WT1 H ATOM 17602 OH2 TIP3 5831 89.491 51.656 29.672 1.00 0.00 WT1 O ATOM 17603 H1 TIP3 5831 90.330 51.892 29.276 1.00 0.00 WT1 H ATOM 17604 H2 TIP3 5831 88.934 51.416 28.931 1.00 0.00 WT1 H ATOM 17605 OH2 TIP3 5832 49.433 37.870 -19.921 1.00 0.00 WT1 O ATOM 17606 H1 TIP3 5832 50.051 38.581 -19.751 1.00 0.00 WT1 H ATOM 17607 H2 TIP3 5832 49.666 37.193 -19.286 1.00 0.00 WT1 H ATOM 17608 OH2 TIP3 5833 41.194 68.691 51.328 1.00 0.00 WT1 O ATOM 17609 H1 TIP3 5833 41.584 69.302 50.703 1.00 0.00 WT1 H ATOM 17610 H2 TIP3 5833 41.904 68.483 51.935 1.00 0.00 WT1 H ATOM 17611 OH2 TIP3 5834 50.810 30.600 57.153 1.00 0.00 WT1 O ATOM 17612 H1 TIP3 5834 51.535 31.161 56.876 1.00 0.00 WT1 H ATOM 17613 H2 TIP3 5834 50.042 31.170 57.126 1.00 0.00 WT1 H ATOM 17614 OH2 TIP3 5835 52.080 92.361 15.572 1.00 0.00 WT1 O ATOM 17615 H1 TIP3 5835 52.003 92.885 16.370 1.00 0.00 WT1 H ATOM 17616 H2 TIP3 5835 52.342 91.493 15.880 1.00 0.00 WT1 H ATOM 17617 OH2 TIP3 5836 48.345 75.733 31.636 1.00 0.00 WT1 O ATOM 17618 H1 TIP3 5836 48.741 74.878 31.468 1.00 0.00 WT1 H ATOM 17619 H2 TIP3 5836 47.822 75.603 32.427 1.00 0.00 WT1 H ATOM 17620 OH2 TIP3 5837 39.114 66.170 -2.964 1.00 0.00 WT1 O ATOM 17621 H1 TIP3 5837 39.276 66.897 -2.364 1.00 0.00 WT1 H ATOM 17622 H2 TIP3 5837 38.425 66.488 -3.547 1.00 0.00 WT1 H ATOM 17623 OH2 TIP3 5838 81.991 75.842 -2.284 1.00 0.00 WT1 O ATOM 17624 H1 TIP3 5838 81.195 76.355 -2.426 1.00 0.00 WT1 H ATOM 17625 H2 TIP3 5838 81.691 75.052 -1.836 1.00 0.00 WT1 H ATOM 17626 OH2 TIP3 5839 33.586 25.119 22.073 1.00 0.00 WT1 O ATOM 17627 H1 TIP3 5839 32.881 25.714 21.818 1.00 0.00 WT1 H ATOM 17628 H2 TIP3 5839 34.330 25.380 21.529 1.00 0.00 WT1 H ATOM 17629 OH2 TIP3 5840 87.695 57.491 4.116 1.00 0.00 WT1 O ATOM 17630 H1 TIP3 5840 87.327 56.607 4.096 1.00 0.00 WT1 H ATOM 17631 H2 TIP3 5840 88.450 57.449 3.528 1.00 0.00 WT1 H ATOM 17632 OH2 TIP3 5841 83.081 9.889 51.617 1.00 0.00 WT1 O ATOM 17633 H1 TIP3 5841 82.578 10.610 51.996 1.00 0.00 WT1 H ATOM 17634 H2 TIP3 5841 82.797 9.115 52.104 1.00 0.00 WT1 H ATOM 17635 OH2 TIP3 5842 56.705 5.843 -0.572 1.00 0.00 WT1 O ATOM 17636 H1 TIP3 5842 57.480 5.298 -0.438 1.00 0.00 WT1 H ATOM 17637 H2 TIP3 5842 56.569 6.279 0.269 1.00 0.00 WT1 H ATOM 17638 OH2 TIP3 5843 72.645 77.396 56.647 1.00 0.00 WT1 O ATOM 17639 H1 TIP3 5843 73.241 76.655 56.763 1.00 0.00 WT1 H ATOM 17640 H2 TIP3 5843 71.780 76.996 56.558 1.00 0.00 WT1 H ATOM 17641 OH2 TIP3 5844 61.044 91.791 -2.230 1.00 0.00 WT1 O ATOM 17642 H1 TIP3 5844 60.554 91.020 -1.946 1.00 0.00 WT1 H ATOM 17643 H2 TIP3 5844 60.408 92.313 -2.720 1.00 0.00 WT1 H ATOM 17644 OH2 TIP3 5845 21.275 22.817 3.061 1.00 0.00 WT1 O ATOM 17645 H1 TIP3 5845 21.252 22.587 3.990 1.00 0.00 WT1 H ATOM 17646 H2 TIP3 5845 22.198 22.745 2.819 1.00 0.00 WT1 H ATOM 17647 OH2 TIP3 5846 81.485 33.554 11.688 1.00 0.00 WT1 O ATOM 17648 H1 TIP3 5846 81.875 33.100 12.435 1.00 0.00 WT1 H ATOM 17649 H2 TIP3 5846 81.982 34.369 11.616 1.00 0.00 WT1 H ATOM 17650 OH2 TIP3 5847 53.934 34.831 45.455 1.00 0.00 WT1 O ATOM 17651 H1 TIP3 5847 54.797 34.803 45.042 1.00 0.00 WT1 H ATOM 17652 H2 TIP3 5847 53.693 33.912 45.571 1.00 0.00 WT1 H ATOM 17653 OH2 TIP3 5848 67.397 24.773 62.500 1.00 0.00 WT1 O ATOM 17654 H1 TIP3 5848 66.789 25.447 62.195 1.00 0.00 WT1 H ATOM 17655 H2 TIP3 5848 67.329 24.801 63.454 1.00 0.00 WT1 H ATOM 17656 OH2 TIP3 5850 79.350 73.179 -3.322 1.00 0.00 WT1 O ATOM 17657 H1 TIP3 5850 80.136 72.982 -2.812 1.00 0.00 WT1 H ATOM 17658 H2 TIP3 5850 78.906 73.865 -2.824 1.00 0.00 WT1 H ATOM 17659 OH2 TIP3 5851 24.313 46.613 34.595 1.00 0.00 WT1 O ATOM 17660 H1 TIP3 5851 23.849 47.123 33.931 1.00 0.00 WT1 H ATOM 17661 H2 TIP3 5851 25.211 46.554 34.267 1.00 0.00 WT1 H ATOM 17662 OH2 TIP3 5852 31.505 8.820 -8.111 1.00 0.00 WT1 O ATOM 17663 H1 TIP3 5852 32.398 9.135 -7.968 1.00 0.00 WT1 H ATOM 17664 H2 TIP3 5852 31.597 7.872 -8.206 1.00 0.00 WT1 H ATOM 17665 OH2 TIP3 5853 87.122 41.497 48.409 1.00 0.00 WT1 O ATOM 17666 H1 TIP3 5853 87.906 41.124 48.810 1.00 0.00 WT1 H ATOM 17667 H2 TIP3 5853 86.974 42.314 48.885 1.00 0.00 WT1 H ATOM 17668 OH2 TIP3 5854 68.955 69.208 29.389 1.00 0.00 WT1 O ATOM 17669 H1 TIP3 5854 68.029 69.363 29.205 1.00 0.00 WT1 H ATOM 17670 H2 TIP3 5854 68.959 68.733 30.220 1.00 0.00 WT1 H ATOM 17671 OH2 TIP3 5855 39.930 84.904 -14.486 1.00 0.00 WT1 O ATOM 17672 H1 TIP3 5855 40.365 84.121 -14.825 1.00 0.00 WT1 H ATOM 17673 H2 TIP3 5855 40.241 84.980 -13.584 1.00 0.00 WT1 H ATOM 17674 OH2 TIP3 5856 21.318 55.229 34.658 1.00 0.00 WT1 O ATOM 17675 H1 TIP3 5856 22.241 55.453 34.771 1.00 0.00 WT1 H ATOM 17676 H2 TIP3 5856 21.054 54.862 35.502 1.00 0.00 WT1 H ATOM 17677 OH2 TIP3 5857 42.347 68.252 53.878 1.00 0.00 WT1 O ATOM 17678 H1 TIP3 5857 43.208 68.670 53.906 1.00 0.00 WT1 H ATOM 17679 H2 TIP3 5857 42.491 67.381 54.247 1.00 0.00 WT1 H ATOM 17680 OH2 TIP3 5858 26.057 85.127 29.906 1.00 0.00 WT1 O ATOM 17681 H1 TIP3 5858 26.749 85.366 29.289 1.00 0.00 WT1 H ATOM 17682 H2 TIP3 5858 26.269 85.613 30.703 1.00 0.00 WT1 H ATOM 17683 OH2 TIP3 5859 33.803 87.783 -1.381 1.00 0.00 WT1 O ATOM 17684 H1 TIP3 5859 33.290 88.526 -1.700 1.00 0.00 WT1 H ATOM 17685 H2 TIP3 5859 34.068 88.037 -0.497 1.00 0.00 WT1 H ATOM 17686 OH2 TIP3 5860 69.867 10.010 39.398 1.00 0.00 WT1 O ATOM 17687 H1 TIP3 5860 69.351 10.325 38.656 1.00 0.00 WT1 H ATOM 17688 H2 TIP3 5860 70.341 9.252 39.055 1.00 0.00 WT1 H ATOM 17689 OH2 TIP3 5861 31.058 4.182 28.545 1.00 0.00 WT1 O ATOM 17690 H1 TIP3 5861 30.676 5.046 28.391 1.00 0.00 WT1 H ATOM 17691 H2 TIP3 5861 31.618 4.028 27.784 1.00 0.00 WT1 H ATOM 17692 OH2 TIP3 5862 26.810 60.750 5.814 1.00 0.00 WT1 O ATOM 17693 H1 TIP3 5862 27.312 60.915 6.612 1.00 0.00 WT1 H ATOM 17694 H2 TIP3 5862 26.103 61.394 5.837 1.00 0.00 WT1 H ATOM 17695 OH2 TIP3 5863 61.265 89.850 1.037 1.00 0.00 WT1 O ATOM 17696 H1 TIP3 5863 61.139 89.144 0.403 1.00 0.00 WT1 H ATOM 17697 H2 TIP3 5863 61.974 89.541 1.601 1.00 0.00 WT1 H ATOM 17698 OH2 TIP3 5865 48.901 95.136 30.918 1.00 0.00 WT1 O ATOM 17699 H1 TIP3 5865 49.812 94.844 30.953 1.00 0.00 WT1 H ATOM 17700 H2 TIP3 5865 48.392 94.364 31.168 1.00 0.00 WT1 H ATOM 17701 OH2 TIP3 5866 42.741 38.846 57.013 1.00 0.00 WT1 O ATOM 17702 H1 TIP3 5866 43.151 39.645 56.684 1.00 0.00 WT1 H ATOM 17703 H2 TIP3 5866 42.497 38.360 56.225 1.00 0.00 WT1 H ATOM 17704 OH2 TIP3 5867 83.277 86.823 26.267 1.00 0.00 WT1 O ATOM 17705 H1 TIP3 5867 83.443 86.210 26.983 1.00 0.00 WT1 H ATOM 17706 H2 TIP3 5867 84.120 87.251 26.118 1.00 0.00 WT1 H ATOM 17707 OH2 TIP3 5868 36.306 95.136 56.969 1.00 0.00 WT1 O ATOM 17708 H1 TIP3 5868 36.311 94.179 56.966 1.00 0.00 WT1 H ATOM 17709 H2 TIP3 5868 36.097 95.372 57.872 1.00 0.00 WT1 H ATOM 17710 OH2 TIP3 5869 28.688 34.823 12.324 1.00 0.00 WT1 O ATOM 17711 H1 TIP3 5869 29.385 34.327 11.895 1.00 0.00 WT1 H ATOM 17712 H2 TIP3 5869 28.948 35.739 12.222 1.00 0.00 WT1 H ATOM 17713 OH2 TIP3 5871 56.251 33.642 -4.899 1.00 0.00 WT1 O ATOM 17714 H1 TIP3 5871 56.009 34.132 -5.685 1.00 0.00 WT1 H ATOM 17715 H2 TIP3 5871 55.781 34.080 -4.189 1.00 0.00 WT1 H ATOM 17716 OH2 TIP3 5872 32.436 37.936 -3.467 1.00 0.00 WT1 O ATOM 17717 H1 TIP3 5872 33.123 37.844 -2.807 1.00 0.00 WT1 H ATOM 17718 H2 TIP3 5872 31.721 38.377 -3.008 1.00 0.00 WT1 H ATOM 17719 OH2 TIP3 5873 30.096 40.764 -11.167 1.00 0.00 WT1 O ATOM 17720 H1 TIP3 5873 30.126 39.872 -10.820 1.00 0.00 WT1 H ATOM 17721 H2 TIP3 5873 29.394 40.746 -11.817 1.00 0.00 WT1 H ATOM 17722 OH2 TIP3 5874 50.766 81.130 -10.988 1.00 0.00 WT1 O ATOM 17723 H1 TIP3 5874 51.186 80.398 -11.440 1.00 0.00 WT1 H ATOM 17724 H2 TIP3 5874 49.845 80.877 -10.927 1.00 0.00 WT1 H ATOM 17725 OH2 TIP3 5875 63.144 85.535 4.013 1.00 0.00 WT1 O ATOM 17726 H1 TIP3 5875 62.646 85.051 4.671 1.00 0.00 WT1 H ATOM 17727 H2 TIP3 5875 64.003 85.670 4.413 1.00 0.00 WT1 H ATOM 17728 OH2 TIP3 5876 79.100 13.145 57.288 1.00 0.00 WT1 O ATOM 17729 H1 TIP3 5876 79.213 12.245 56.984 1.00 0.00 WT1 H ATOM 17730 H2 TIP3 5876 78.335 13.111 57.862 1.00 0.00 WT1 H ATOM 17731 OH2 TIP3 5877 35.956 4.769 44.661 1.00 0.00 WT1 O ATOM 17732 H1 TIP3 5877 36.110 3.830 44.764 1.00 0.00 WT1 H ATOM 17733 H2 TIP3 5877 36.562 5.180 45.277 1.00 0.00 WT1 H ATOM 17734 OH2 TIP3 5878 61.954 36.238 61.295 1.00 0.00 WT1 O ATOM 17735 H1 TIP3 5878 61.299 36.934 61.242 1.00 0.00 WT1 H ATOM 17736 H2 TIP3 5878 62.632 36.591 61.871 1.00 0.00 WT1 H ATOM 17737 OH2 TIP3 5879 33.276 26.668 47.165 1.00 0.00 WT1 O ATOM 17738 H1 TIP3 5879 33.588 25.769 47.265 1.00 0.00 WT1 H ATOM 17739 H2 TIP3 5879 32.324 26.587 47.112 1.00 0.00 WT1 H ATOM 17740 OH2 TIP3 5880 52.729 91.575 -6.786 1.00 0.00 WT1 O ATOM 17741 H1 TIP3 5880 52.253 91.430 -5.969 1.00 0.00 WT1 H ATOM 17742 H2 TIP3 5880 52.592 92.502 -6.982 1.00 0.00 WT1 H ATOM 17743 OH2 TIP3 5881 73.674 72.490 0.443 1.00 0.00 WT1 O ATOM 17744 H1 TIP3 5881 73.182 73.077 -0.131 1.00 0.00 WT1 H ATOM 17745 H2 TIP3 5881 74.000 71.803 -0.138 1.00 0.00 WT1 H ATOM 17746 OH2 TIP3 5882 85.555 83.859 26.734 1.00 0.00 WT1 O ATOM 17747 H1 TIP3 5882 85.918 83.073 27.142 1.00 0.00 WT1 H ATOM 17748 H2 TIP3 5882 84.614 83.692 26.686 1.00 0.00 WT1 H ATOM 17749 OH2 TIP3 5883 85.352 74.175 4.454 1.00 0.00 WT1 O ATOM 17750 H1 TIP3 5883 85.844 73.357 4.526 1.00 0.00 WT1 H ATOM 17751 H2 TIP3 5883 85.865 74.808 4.956 1.00 0.00 WT1 H ATOM 17752 OH2 TIP3 5884 82.608 75.669 -16.300 1.00 0.00 WT1 O ATOM 17753 H1 TIP3 5884 83.459 76.035 -16.058 1.00 0.00 WT1 H ATOM 17754 H2 TIP3 5884 82.183 76.363 -16.804 1.00 0.00 WT1 H ATOM 17755 OH2 TIP3 5885 28.806 8.803 12.624 1.00 0.00 WT1 O ATOM 17756 H1 TIP3 5885 29.055 9.489 12.004 1.00 0.00 WT1 H ATOM 17757 H2 TIP3 5885 29.627 8.557 13.051 1.00 0.00 WT1 H ATOM 17758 OH2 TIP3 5886 74.367 18.212 0.768 1.00 0.00 WT1 O ATOM 17759 H1 TIP3 5886 73.878 18.948 1.135 1.00 0.00 WT1 H ATOM 17760 H2 TIP3 5886 73.761 17.473 0.818 1.00 0.00 WT1 H ATOM 17761 OH2 TIP3 5887 64.400 53.718 13.566 1.00 0.00 WT1 O ATOM 17762 H1 TIP3 5887 64.246 54.589 13.201 1.00 0.00 WT1 H ATOM 17763 H2 TIP3 5887 63.665 53.573 14.161 1.00 0.00 WT1 H ATOM 17764 OH2 TIP3 5888 50.232 1.769 48.888 1.00 0.00 WT1 O ATOM 17765 H1 TIP3 5888 50.957 1.447 49.424 1.00 0.00 WT1 H ATOM 17766 H2 TIP3 5888 50.008 1.032 48.321 1.00 0.00 WT1 H ATOM 17767 OH2 TIP3 5889 40.107 31.125 -10.391 1.00 0.00 WT1 O ATOM 17768 H1 TIP3 5889 40.180 30.543 -9.635 1.00 0.00 WT1 H ATOM 17769 H2 TIP3 5889 39.414 31.741 -10.153 1.00 0.00 WT1 H ATOM 17770 OH2 TIP3 5890 69.569 79.697 44.537 1.00 0.00 WT1 O ATOM 17771 H1 TIP3 5890 69.024 80.324 45.014 1.00 0.00 WT1 H ATOM 17772 H2 TIP3 5890 70.151 79.330 45.202 1.00 0.00 WT1 H ATOM 17773 OH2 TIP3 5891 60.230 83.113 18.558 1.00 0.00 WT1 O ATOM 17774 H1 TIP3 5891 59.765 83.747 18.012 1.00 0.00 WT1 H ATOM 17775 H2 TIP3 5891 59.702 83.048 19.354 1.00 0.00 WT1 H ATOM 17776 OH2 TIP3 5893 55.580 30.948 17.651 1.00 0.00 WT1 O ATOM 17777 H1 TIP3 5893 54.900 31.507 18.027 1.00 0.00 WT1 H ATOM 17778 H2 TIP3 5893 56.002 30.542 18.408 1.00 0.00 WT1 H ATOM 17779 OH2 TIP3 5894 23.891 56.107 61.817 1.00 0.00 WT1 O ATOM 17780 H1 TIP3 5894 23.371 56.855 61.521 1.00 0.00 WT1 H ATOM 17781 H2 TIP3 5894 23.362 55.343 61.589 1.00 0.00 WT1 H ATOM 17782 OH2 TIP3 5896 79.970 55.790 -9.398 1.00 0.00 WT1 O ATOM 17783 H1 TIP3 5896 80.131 55.461 -8.513 1.00 0.00 WT1 H ATOM 17784 H2 TIP3 5896 80.810 55.695 -9.846 1.00 0.00 WT1 H ATOM 17785 OH2 TIP3 5897 21.544 28.127 65.368 1.00 0.00 WT1 O ATOM 17786 H1 TIP3 5897 20.812 28.469 65.881 1.00 0.00 WT1 H ATOM 17787 H2 TIP3 5897 22.090 27.669 66.006 1.00 0.00 WT1 H ATOM 17788 OH2 TIP3 5898 59.643 89.093 39.649 1.00 0.00 WT1 O ATOM 17789 H1 TIP3 5898 60.171 88.301 39.557 1.00 0.00 WT1 H ATOM 17790 H2 TIP3 5898 58.946 88.848 40.257 1.00 0.00 WT1 H ATOM 17791 OH2 TIP3 5899 38.853 0.130 -14.385 1.00 0.00 WT1 O ATOM 17792 H1 TIP3 5899 39.125 1.009 -14.648 1.00 0.00 WT1 H ATOM 17793 H2 TIP3 5899 38.722 0.192 -13.439 1.00 0.00 WT1 H ATOM 17794 OH2 TIP3 5900 30.382 34.671 56.435 1.00 0.00 WT1 O ATOM 17795 H1 TIP3 5900 29.548 35.120 56.574 1.00 0.00 WT1 H ATOM 17796 H2 TIP3 5900 30.765 34.600 57.310 1.00 0.00 WT1 H ATOM 17797 OH2 TIP3 5901 46.483 17.061 -19.503 1.00 0.00 WT1 O ATOM 17798 H1 TIP3 5901 46.317 17.030 -18.561 1.00 0.00 WT1 H ATOM 17799 H2 TIP3 5901 46.944 16.243 -19.692 1.00 0.00 WT1 H ATOM 17800 OH2 TIP3 5902 43.747 48.113 39.222 1.00 0.00 WT1 O ATOM 17801 H1 TIP3 5902 44.142 47.371 38.764 1.00 0.00 WT1 H ATOM 17802 H2 TIP3 5902 43.751 48.822 38.579 1.00 0.00 WT1 H ATOM 17803 OH2 TIP3 5903 26.012 22.640 12.228 1.00 0.00 WT1 O ATOM 17804 H1 TIP3 5903 26.213 21.704 12.216 1.00 0.00 WT1 H ATOM 17805 H2 TIP3 5903 26.408 22.960 13.038 1.00 0.00 WT1 H ATOM 17806 OH2 TIP3 5904 52.789 51.360 -5.482 1.00 0.00 WT1 O ATOM 17807 H1 TIP3 5904 52.561 51.833 -4.682 1.00 0.00 WT1 H ATOM 17808 H2 TIP3 5904 53.744 51.407 -5.525 1.00 0.00 WT1 H ATOM 17809 OH2 TIP3 5906 67.672 78.928 37.922 1.00 0.00 WT1 O ATOM 17810 H1 TIP3 5906 66.791 79.151 37.622 1.00 0.00 WT1 H ATOM 17811 H2 TIP3 5906 68.254 79.420 37.343 1.00 0.00 WT1 H ATOM 17812 OH2 TIP3 5907 50.571 4.843 64.576 1.00 0.00 WT1 O ATOM 17813 H1 TIP3 5907 50.459 4.125 65.199 1.00 0.00 WT1 H ATOM 17814 H2 TIP3 5907 51.442 4.705 64.204 1.00 0.00 WT1 H ATOM 17815 OH2 TIP3 5909 57.661 7.693 10.869 1.00 0.00 WT1 O ATOM 17816 H1 TIP3 5909 57.418 7.423 11.755 1.00 0.00 WT1 H ATOM 17817 H2 TIP3 5909 58.251 8.436 10.997 1.00 0.00 WT1 H ATOM 17818 OH2 TIP3 5911 41.339 15.084 -16.100 1.00 0.00 WT1 O ATOM 17819 H1 TIP3 5911 42.156 15.577 -16.025 1.00 0.00 WT1 H ATOM 17820 H2 TIP3 5911 41.617 14.174 -16.203 1.00 0.00 WT1 H ATOM 17821 OH2 TIP3 5912 67.816 87.688 55.848 1.00 0.00 WT1 O ATOM 17822 H1 TIP3 5912 67.629 87.205 55.043 1.00 0.00 WT1 H ATOM 17823 H2 TIP3 5912 67.175 88.399 55.856 1.00 0.00 WT1 H ATOM 17824 OH2 TIP3 5914 49.139 9.390 22.152 1.00 0.00 WT1 O ATOM 17825 H1 TIP3 5914 49.047 10.295 22.451 1.00 0.00 WT1 H ATOM 17826 H2 TIP3 5914 48.259 9.138 21.873 1.00 0.00 WT1 H ATOM 17827 OH2 TIP3 5915 48.279 18.312 -8.436 1.00 0.00 WT1 O ATOM 17828 H1 TIP3 5915 47.757 17.817 -7.805 1.00 0.00 WT1 H ATOM 17829 H2 TIP3 5915 49.180 18.030 -8.276 1.00 0.00 WT1 H ATOM 17830 OH2 TIP3 5916 50.996 85.682 51.225 1.00 0.00 WT1 O ATOM 17831 H1 TIP3 5916 50.679 84.786 51.115 1.00 0.00 WT1 H ATOM 17832 H2 TIP3 5916 51.898 85.581 51.531 1.00 0.00 WT1 H ATOM 17833 OH2 TIP3 5917 45.483 91.157 19.200 1.00 0.00 WT1 O ATOM 17834 H1 TIP3 5917 46.246 90.688 18.862 1.00 0.00 WT1 H ATOM 17835 H2 TIP3 5917 45.689 92.082 19.060 1.00 0.00 WT1 H ATOM 17836 OH2 TIP3 5919 47.936 92.643 61.660 1.00 0.00 WT1 O ATOM 17837 H1 TIP3 5919 48.021 93.456 61.162 1.00 0.00 WT1 H ATOM 17838 H2 TIP3 5919 47.279 92.839 62.329 1.00 0.00 WT1 H ATOM 17839 OH2 TIP3 5920 49.714 47.007 62.870 1.00 0.00 WT1 O ATOM 17840 H1 TIP3 5920 48.810 47.220 62.642 1.00 0.00 WT1 H ATOM 17841 H2 TIP3 5920 50.160 46.917 62.028 1.00 0.00 WT1 H ATOM 17842 OH2 TIP3 5921 47.977 11.037 46.079 1.00 0.00 WT1 O ATOM 17843 H1 TIP3 5921 47.274 11.661 45.902 1.00 0.00 WT1 H ATOM 17844 H2 TIP3 5921 48.721 11.364 45.573 1.00 0.00 WT1 H ATOM 17845 OH2 TIP3 5923 40.705 89.345 -7.363 1.00 0.00 WT1 O ATOM 17846 H1 TIP3 5923 40.898 89.443 -6.431 1.00 0.00 WT1 H ATOM 17847 H2 TIP3 5923 40.195 90.124 -7.586 1.00 0.00 WT1 H ATOM 17848 OH2 TIP3 5924 73.041 55.454 0.289 1.00 0.00 WT1 O ATOM 17849 H1 TIP3 5924 72.461 54.956 -0.287 1.00 0.00 WT1 H ATOM 17850 H2 TIP3 5924 72.963 56.358 -0.015 1.00 0.00 WT1 H ATOM 17851 OH2 TIP3 5925 58.372 84.619 3.596 1.00 0.00 WT1 O ATOM 17852 H1 TIP3 5925 57.764 84.082 3.087 1.00 0.00 WT1 H ATOM 17853 H2 TIP3 5925 57.809 85.158 4.152 1.00 0.00 WT1 H ATOM 17854 OH2 TIP3 5926 72.807 60.256 17.014 1.00 0.00 WT1 O ATOM 17855 H1 TIP3 5926 73.213 59.466 17.369 1.00 0.00 WT1 H ATOM 17856 H2 TIP3 5926 71.877 60.041 16.950 1.00 0.00 WT1 H ATOM 17857 OH2 TIP3 5927 63.731 32.808 33.595 1.00 0.00 WT1 O ATOM 17858 H1 TIP3 5927 64.535 32.472 33.199 1.00 0.00 WT1 H ATOM 17859 H2 TIP3 5927 63.239 33.178 32.862 1.00 0.00 WT1 H ATOM 17860 OH2 TIP3 5928 77.469 41.279 8.809 1.00 0.00 WT1 O ATOM 17861 H1 TIP3 5928 76.848 41.583 9.471 1.00 0.00 WT1 H ATOM 17862 H2 TIP3 5928 77.238 41.768 8.020 1.00 0.00 WT1 H ATOM 17863 OH2 TIP3 5929 38.343 74.772 20.608 1.00 0.00 WT1 O ATOM 17864 H1 TIP3 5929 38.641 74.261 21.361 1.00 0.00 WT1 H ATOM 17865 H2 TIP3 5929 38.492 74.199 19.856 1.00 0.00 WT1 H ATOM 17866 OH2 TIP3 5930 39.908 43.616 41.086 1.00 0.00 WT1 O ATOM 17867 H1 TIP3 5930 39.598 42.718 40.977 1.00 0.00 WT1 H ATOM 17868 H2 TIP3 5930 40.704 43.533 41.611 1.00 0.00 WT1 H ATOM 17869 OH2 TIP3 5931 86.102 56.464 65.556 1.00 0.00 WT1 O ATOM 17870 H1 TIP3 5931 85.614 55.645 65.469 1.00 0.00 WT1 H ATOM 17871 H2 TIP3 5931 86.951 56.202 65.910 1.00 0.00 WT1 H ATOM 17872 OH2 TIP3 5932 58.683 33.140 39.491 1.00 0.00 WT1 O ATOM 17873 H1 TIP3 5932 59.210 33.931 39.604 1.00 0.00 WT1 H ATOM 17874 H2 TIP3 5932 59.216 32.574 38.933 1.00 0.00 WT1 H ATOM 17875 OH2 TIP3 5934 32.565 48.232 30.314 1.00 0.00 WT1 O ATOM 17876 H1 TIP3 5934 32.140 47.401 30.527 1.00 0.00 WT1 H ATOM 17877 H2 TIP3 5934 33.308 48.282 30.917 1.00 0.00 WT1 H ATOM 17878 OH2 TIP3 5936 33.814 33.657 3.248 1.00 0.00 WT1 O ATOM 17879 H1 TIP3 5936 33.157 32.963 3.314 1.00 0.00 WT1 H ATOM 17880 H2 TIP3 5936 33.708 34.164 4.053 1.00 0.00 WT1 H ATOM 17881 OH2 TIP3 5937 77.731 39.555 13.060 1.00 0.00 WT1 O ATOM 17882 H1 TIP3 5937 76.925 39.606 12.546 1.00 0.00 WT1 H ATOM 17883 H2 TIP3 5937 77.943 40.465 13.266 1.00 0.00 WT1 H ATOM 17884 OH2 TIP3 5939 26.179 40.510 22.035 1.00 0.00 WT1 O ATOM 17885 H1 TIP3 5939 26.001 39.622 21.724 1.00 0.00 WT1 H ATOM 17886 H2 TIP3 5939 27.132 40.553 22.108 1.00 0.00 WT1 H ATOM 17887 OH2 TIP3 5941 28.503 52.461 27.288 1.00 0.00 WT1 O ATOM 17888 H1 TIP3 5941 28.410 52.081 26.415 1.00 0.00 WT1 H ATOM 17889 H2 TIP3 5941 28.743 53.374 27.128 1.00 0.00 WT1 H ATOM 17890 OH2 TIP3 5942 89.695 96.589 39.212 1.00 0.00 WT1 O ATOM 17891 H1 TIP3 5942 90.626 96.736 39.381 1.00 0.00 WT1 H ATOM 17892 H2 TIP3 5942 89.654 96.357 38.284 1.00 0.00 WT1 H ATOM 17893 OH2 TIP3 5943 46.239 90.129 28.576 1.00 0.00 WT1 O ATOM 17894 H1 TIP3 5943 46.137 89.601 29.367 1.00 0.00 WT1 H ATOM 17895 H2 TIP3 5943 45.734 90.923 28.750 1.00 0.00 WT1 H ATOM 17896 OH2 TIP3 5944 50.944 23.617 36.084 1.00 0.00 WT1 O ATOM 17897 H1 TIP3 5944 50.219 23.140 35.681 1.00 0.00 WT1 H ATOM 17898 H2 TIP3 5944 51.458 23.941 35.345 1.00 0.00 WT1 H ATOM 17899 OH2 TIP3 5945 83.409 69.603 55.978 1.00 0.00 WT1 O ATOM 17900 H1 TIP3 5945 84.146 68.996 56.043 1.00 0.00 WT1 H ATOM 17901 H2 TIP3 5945 83.671 70.227 55.301 1.00 0.00 WT1 H ATOM 17902 OH2 TIP3 5946 25.275 24.602 -8.602 1.00 0.00 WT1 O ATOM 17903 H1 TIP3 5946 25.290 24.093 -7.792 1.00 0.00 WT1 H ATOM 17904 H2 TIP3 5946 25.426 25.505 -8.322 1.00 0.00 WT1 H ATOM 17905 OH2 TIP3 5947 37.328 28.005 -5.336 1.00 0.00 WT1 O ATOM 17906 H1 TIP3 5947 37.222 28.906 -5.642 1.00 0.00 WT1 H ATOM 17907 H2 TIP3 5947 37.003 28.017 -4.436 1.00 0.00 WT1 H ATOM 17908 OH2 TIP3 5948 37.956 59.726 -15.952 1.00 0.00 WT1 O ATOM 17909 H1 TIP3 5948 37.574 58.917 -16.294 1.00 0.00 WT1 H ATOM 17910 H2 TIP3 5948 37.995 60.311 -16.708 1.00 0.00 WT1 H ATOM 17911 OH2 TIP3 5949 49.324 55.588 4.091 1.00 0.00 WT1 O ATOM 17912 H1 TIP3 5949 49.254 55.438 5.034 1.00 0.00 WT1 H ATOM 17913 H2 TIP3 5949 50.007 56.252 4.004 1.00 0.00 WT1 H ATOM 17914 OH2 TIP3 5950 51.988 23.834 -8.377 1.00 0.00 WT1 O ATOM 17915 H1 TIP3 5950 52.748 23.896 -7.799 1.00 0.00 WT1 H ATOM 17916 H2 TIP3 5950 51.721 22.916 -8.326 1.00 0.00 WT1 H ATOM 17917 OH2 TIP3 5951 22.684 44.447 17.371 1.00 0.00 WT1 O ATOM 17918 H1 TIP3 5951 22.287 43.577 17.404 1.00 0.00 WT1 H ATOM 17919 H2 TIP3 5951 23.534 44.307 16.953 1.00 0.00 WT1 H ATOM 17920 OH2 TIP3 5952 28.002 22.848 -17.548 1.00 0.00 WT1 O ATOM 17921 H1 TIP3 5952 28.045 23.593 -16.949 1.00 0.00 WT1 H ATOM 17922 H2 TIP3 5952 27.140 22.920 -17.959 1.00 0.00 WT1 H ATOM 17923 OH2 TIP3 5953 81.378 59.159 3.582 1.00 0.00 WT1 O ATOM 17924 H1 TIP3 5953 81.056 58.947 4.458 1.00 0.00 WT1 H ATOM 17925 H2 TIP3 5953 81.298 58.341 3.092 1.00 0.00 WT1 H ATOM 17926 OH2 TIP3 5954 69.284 18.869 40.431 1.00 0.00 WT1 O ATOM 17927 H1 TIP3 5954 70.018 19.483 40.391 1.00 0.00 WT1 H ATOM 17928 H2 TIP3 5954 69.453 18.248 39.722 1.00 0.00 WT1 H ATOM 17929 OH2 TIP3 5955 68.983 8.721 -3.098 1.00 0.00 WT1 O ATOM 17930 H1 TIP3 5955 69.613 9.200 -2.559 1.00 0.00 WT1 H ATOM 17931 H2 TIP3 5955 69.504 8.365 -3.817 1.00 0.00 WT1 H ATOM 17932 OH2 TIP3 5956 53.205 48.947 55.069 1.00 0.00 WT1 O ATOM 17933 H1 TIP3 5956 52.840 49.662 55.590 1.00 0.00 WT1 H ATOM 17934 H2 TIP3 5956 53.769 49.380 54.428 1.00 0.00 WT1 H ATOM 17935 OH2 TIP3 5957 80.009 22.213 57.856 1.00 0.00 WT1 O ATOM 17936 H1 TIP3 5957 79.278 22.562 57.346 1.00 0.00 WT1 H ATOM 17937 H2 TIP3 5957 80.491 21.662 57.239 1.00 0.00 WT1 H ATOM 17938 OH2 TIP3 5958 41.426 14.059 41.367 1.00 0.00 WT1 O ATOM 17939 H1 TIP3 5958 41.926 14.875 41.367 1.00 0.00 WT1 H ATOM 17940 H2 TIP3 5958 41.350 13.824 40.442 1.00 0.00 WT1 H ATOM 17941 OH2 TIP3 5959 69.003 48.606 -10.009 1.00 0.00 WT1 O ATOM 17942 H1 TIP3 5959 69.879 48.402 -9.681 1.00 0.00 WT1 H ATOM 17943 H2 TIP3 5959 68.670 49.271 -9.406 1.00 0.00 WT1 H ATOM 17944 OH2 TIP3 5960 23.096 20.862 36.829 1.00 0.00 WT1 O ATOM 17945 H1 TIP3 5960 23.131 21.528 36.142 1.00 0.00 WT1 H ATOM 17946 H2 TIP3 5960 23.941 20.930 37.273 1.00 0.00 WT1 H ATOM 17947 OH2 TIP3 5961 36.755 47.317 23.975 1.00 0.00 WT1 O ATOM 17948 H1 TIP3 5961 36.339 46.555 24.378 1.00 0.00 WT1 H ATOM 17949 H2 TIP3 5961 37.652 47.035 23.795 1.00 0.00 WT1 H ATOM 17950 OH2 TIP3 5963 75.491 21.803 12.698 1.00 0.00 WT1 O ATOM 17951 H1 TIP3 5963 75.128 22.242 11.929 1.00 0.00 WT1 H ATOM 17952 H2 TIP3 5963 76.394 22.116 12.750 1.00 0.00 WT1 H ATOM 17953 OH2 TIP3 5965 87.457 65.577 57.038 1.00 0.00 WT1 O ATOM 17954 H1 TIP3 5965 88.099 64.971 57.408 1.00 0.00 WT1 H ATOM 17955 H2 TIP3 5965 86.610 65.174 57.226 1.00 0.00 WT1 H ATOM 17956 OH2 TIP3 5966 62.256 80.028 24.619 1.00 0.00 WT1 O ATOM 17957 H1 TIP3 5966 61.734 79.942 25.417 1.00 0.00 WT1 H ATOM 17958 H2 TIP3 5966 62.725 80.855 24.727 1.00 0.00 WT1 H ATOM 17959 OH2 TIP3 5968 38.854 81.982 -15.882 1.00 0.00 WT1 O ATOM 17960 H1 TIP3 5968 39.681 82.196 -15.449 1.00 0.00 WT1 H ATOM 17961 H2 TIP3 5968 38.454 81.319 -15.319 1.00 0.00 WT1 H ATOM 17962 OH2 TIP3 5969 31.535 67.758 53.153 1.00 0.00 WT1 O ATOM 17963 H1 TIP3 5969 31.315 68.577 52.708 1.00 0.00 WT1 H ATOM 17964 H2 TIP3 5969 31.811 67.170 52.450 1.00 0.00 WT1 H ATOM 17965 OH2 TIP3 5970 79.857 32.129 19.689 1.00 0.00 WT1 O ATOM 17966 H1 TIP3 5970 79.323 31.530 20.210 1.00 0.00 WT1 H ATOM 17967 H2 TIP3 5970 80.462 31.559 19.214 1.00 0.00 WT1 H ATOM 17968 OH2 TIP3 5971 60.993 11.049 43.353 1.00 0.00 WT1 O ATOM 17969 H1 TIP3 5971 60.337 10.532 42.885 1.00 0.00 WT1 H ATOM 17970 H2 TIP3 5971 61.800 10.919 42.855 1.00 0.00 WT1 H ATOM 17971 OH2 TIP3 5972 44.174 44.098 44.415 1.00 0.00 WT1 O ATOM 17972 H1 TIP3 5972 43.723 44.136 43.572 1.00 0.00 WT1 H ATOM 17973 H2 TIP3 5972 44.101 44.985 44.768 1.00 0.00 WT1 H ATOM 17974 OH2 TIP3 5973 30.764 45.141 -5.873 1.00 0.00 WT1 O ATOM 17975 H1 TIP3 5973 30.777 45.401 -4.952 1.00 0.00 WT1 H ATOM 17976 H2 TIP3 5973 30.419 45.906 -6.334 1.00 0.00 WT1 H ATOM 17977 OH2 TIP3 5974 32.628 44.138 41.860 1.00 0.00 WT1 O ATOM 17978 H1 TIP3 5974 31.992 44.810 41.615 1.00 0.00 WT1 H ATOM 17979 H2 TIP3 5974 32.817 44.312 42.782 1.00 0.00 WT1 H ATOM 17980 OH2 TIP3 5975 34.509 26.698 43.027 1.00 0.00 WT1 O ATOM 17981 H1 TIP3 5975 34.127 26.073 42.411 1.00 0.00 WT1 H ATOM 17982 H2 TIP3 5975 34.756 26.168 43.785 1.00 0.00 WT1 H ATOM 17983 OH2 TIP3 5977 79.733 61.219 10.580 1.00 0.00 WT1 O ATOM 17984 H1 TIP3 5977 79.016 60.597 10.456 1.00 0.00 WT1 H ATOM 17985 H2 TIP3 5977 79.368 61.895 11.150 1.00 0.00 WT1 H ATOM 17986 OH2 TIP3 5978 44.814 51.579 48.017 1.00 0.00 WT1 O ATOM 17987 H1 TIP3 5978 44.576 51.059 47.250 1.00 0.00 WT1 H ATOM 17988 H2 TIP3 5978 45.738 51.789 47.888 1.00 0.00 WT1 H ATOM 17989 OH2 TIP3 5979 54.557 4.944 -14.439 1.00 0.00 WT1 O ATOM 17990 H1 TIP3 5979 54.940 5.821 -14.449 1.00 0.00 WT1 H ATOM 17991 H2 TIP3 5979 55.302 4.358 -14.302 1.00 0.00 WT1 H ATOM 17992 OH2 TIP3 5980 24.605 46.886 -8.061 1.00 0.00 WT1 O ATOM 17993 H1 TIP3 5980 24.891 47.164 -8.931 1.00 0.00 WT1 H ATOM 17994 H2 TIP3 5980 25.271 47.232 -7.468 1.00 0.00 WT1 H ATOM 17995 OH2 TIP3 5981 87.893 51.134 8.886 1.00 0.00 WT1 O ATOM 17996 H1 TIP3 5981 88.752 51.117 9.307 1.00 0.00 WT1 H ATOM 17997 H2 TIP3 5981 87.318 51.548 9.530 1.00 0.00 WT1 H ATOM 17998 OH2 TIP3 5982 58.677 25.830 -2.460 1.00 0.00 WT1 O ATOM 17999 H1 TIP3 5982 57.950 25.598 -1.883 1.00 0.00 WT1 H ATOM 18000 H2 TIP3 5982 59.442 25.417 -2.060 1.00 0.00 WT1 H ATOM 18001 OH2 TIP3 5983 67.200 84.165 33.542 1.00 0.00 WT1 O ATOM 18002 H1 TIP3 5983 66.248 84.261 33.568 1.00 0.00 WT1 H ATOM 18003 H2 TIP3 5983 67.441 84.403 32.647 1.00 0.00 WT1 H ATOM 18004 OH2 TIP3 5986 72.495 82.468 54.472 1.00 0.00 WT1 O ATOM 18005 H1 TIP3 5986 71.944 81.687 54.407 1.00 0.00 WT1 H ATOM 18006 H2 TIP3 5986 72.161 83.055 53.794 1.00 0.00 WT1 H ATOM 18007 OH2 TIP3 5987 38.883 72.484 -11.712 1.00 0.00 WT1 O ATOM 18008 H1 TIP3 5987 38.790 73.320 -12.169 1.00 0.00 WT1 H ATOM 18009 H2 TIP3 5987 39.782 72.489 -11.383 1.00 0.00 WT1 H ATOM 18010 OH2 TIP3 5988 60.274 66.696 56.916 1.00 0.00 WT1 O ATOM 18011 H1 TIP3 5988 60.634 66.093 56.266 1.00 0.00 WT1 H ATOM 18012 H2 TIP3 5988 59.353 66.446 56.991 1.00 0.00 WT1 H ATOM 18013 OH2 TIP3 5989 63.741 38.297 42.304 1.00 0.00 WT1 O ATOM 18014 H1 TIP3 5989 63.680 38.183 41.356 1.00 0.00 WT1 H ATOM 18015 H2 TIP3 5989 62.959 37.866 42.648 1.00 0.00 WT1 H ATOM 18016 OH2 TIP3 5990 48.207 11.639 -16.068 1.00 0.00 WT1 O ATOM 18017 H1 TIP3 5990 48.490 12.282 -16.719 1.00 0.00 WT1 H ATOM 18018 H2 TIP3 5990 49.019 11.240 -15.756 1.00 0.00 WT1 H ATOM 18019 OH2 TIP3 5991 42.813 45.191 17.599 1.00 0.00 WT1 O ATOM 18020 H1 TIP3 5991 43.645 45.608 17.377 1.00 0.00 WT1 H ATOM 18021 H2 TIP3 5991 42.270 45.905 17.936 1.00 0.00 WT1 H ATOM 18022 OH2 TIP3 5992 33.693 45.203 -5.501 1.00 0.00 WT1 O ATOM 18023 H1 TIP3 5992 32.780 45.332 -5.759 1.00 0.00 WT1 H ATOM 18024 H2 TIP3 5992 33.797 44.253 -5.453 1.00 0.00 WT1 H ATOM 18025 OH2 TIP3 5993 87.442 28.036 47.119 1.00 0.00 WT1 O ATOM 18026 H1 TIP3 5993 88.374 27.822 47.139 1.00 0.00 WT1 H ATOM 18027 H2 TIP3 5993 87.252 28.364 47.998 1.00 0.00 WT1 H ATOM 18028 OH2 TIP3 5994 30.389 95.390 33.042 1.00 0.00 WT1 O ATOM 18029 H1 TIP3 5994 29.800 96.103 33.288 1.00 0.00 WT1 H ATOM 18030 H2 TIP3 5994 30.463 94.856 33.833 1.00 0.00 WT1 H ATOM 18031 OH2 TIP3 5995 71.945 74.277 33.897 1.00 0.00 WT1 O ATOM 18032 H1 TIP3 5995 71.693 74.403 32.982 1.00 0.00 WT1 H ATOM 18033 H2 TIP3 5995 71.322 73.632 34.231 1.00 0.00 WT1 H ATOM 18034 OH2 TIP3 5996 78.194 33.653 18.430 1.00 0.00 WT1 O ATOM 18035 H1 TIP3 5996 78.815 33.199 19.000 1.00 0.00 WT1 H ATOM 18036 H2 TIP3 5996 78.512 33.483 17.544 1.00 0.00 WT1 H ATOM 18037 OH2 TIP3 5997 54.877 45.141 -14.205 1.00 0.00 WT1 O ATOM 18038 H1 TIP3 5997 54.751 44.395 -14.791 1.00 0.00 WT1 H ATOM 18039 H2 TIP3 5997 55.828 45.221 -14.119 1.00 0.00 WT1 H ATOM 18040 OH2 TIP3 5998 56.668 35.276 54.828 1.00 0.00 WT1 O ATOM 18041 H1 TIP3 5998 56.494 36.150 54.479 1.00 0.00 WT1 H ATOM 18042 H2 TIP3 5998 56.218 34.683 54.226 1.00 0.00 WT1 H ATOM 18043 OH2 TIP3 5999 63.801 63.507 -16.692 1.00 0.00 WT1 O ATOM 18044 H1 TIP3 5999 63.013 62.981 -16.558 1.00 0.00 WT1 H ATOM 18045 H2 TIP3 5999 64.524 62.904 -16.525 1.00 0.00 WT1 H ATOM 18046 OH2 TIP3 6001 62.417 48.037 -13.240 1.00 0.00 WT1 O ATOM 18047 H1 TIP3 6001 62.514 47.285 -12.656 1.00 0.00 WT1 H ATOM 18048 H2 TIP3 6001 62.839 48.759 -12.775 1.00 0.00 WT1 H ATOM 18049 OH2 TIP3 6004 74.756 15.219 60.988 1.00 0.00 WT1 O ATOM 18050 H1 TIP3 6004 74.890 16.144 60.782 1.00 0.00 WT1 H ATOM 18051 H2 TIP3 6004 73.816 15.142 61.147 1.00 0.00 WT1 H ATOM 18052 OH2 TIP3 6006 76.284 64.518 -19.072 1.00 0.00 WT1 O ATOM 18053 H1 TIP3 6006 76.822 63.728 -19.044 1.00 0.00 WT1 H ATOM 18054 H2 TIP3 6006 75.908 64.584 -18.194 1.00 0.00 WT1 H ATOM 18055 OH2 TIP3 6007 69.925 37.336 7.198 1.00 0.00 WT1 O ATOM 18056 H1 TIP3 6007 70.383 38.176 7.177 1.00 0.00 WT1 H ATOM 18057 H2 TIP3 6007 69.972 37.059 8.113 1.00 0.00 WT1 H ATOM 18058 OH2 TIP3 6009 62.094 60.267 -4.608 1.00 0.00 WT1 O ATOM 18059 H1 TIP3 6009 61.257 60.571 -4.256 1.00 0.00 WT1 H ATOM 18060 H2 TIP3 6009 61.922 59.370 -4.894 1.00 0.00 WT1 H ATOM 18061 OH2 TIP3 6011 74.211 14.395 -7.867 1.00 0.00 WT1 O ATOM 18062 H1 TIP3 6011 73.825 14.912 -7.160 1.00 0.00 WT1 H ATOM 18063 H2 TIP3 6011 74.318 15.016 -8.587 1.00 0.00 WT1 H ATOM 18064 OH2 TIP3 6013 66.008 74.892 43.805 1.00 0.00 WT1 O ATOM 18065 H1 TIP3 6013 65.350 74.651 43.153 1.00 0.00 WT1 H ATOM 18066 H2 TIP3 6013 66.820 74.979 43.306 1.00 0.00 WT1 H ATOM 18067 OH2 TIP3 6014 49.292 45.047 3.686 1.00 0.00 WT1 O ATOM 18068 H1 TIP3 6014 49.323 45.296 4.609 1.00 0.00 WT1 H ATOM 18069 H2 TIP3 6014 50.180 44.752 3.486 1.00 0.00 WT1 H ATOM 18070 OH2 TIP3 6015 56.978 57.249 0.529 1.00 0.00 WT1 O ATOM 18071 H1 TIP3 6015 57.074 58.157 0.818 1.00 0.00 WT1 H ATOM 18072 H2 TIP3 6015 56.084 57.012 0.777 1.00 0.00 WT1 H ATOM 18073 OH2 TIP3 6016 24.962 32.403 57.813 1.00 0.00 WT1 O ATOM 18074 H1 TIP3 6016 25.083 31.494 58.090 1.00 0.00 WT1 H ATOM 18075 H2 TIP3 6016 24.612 32.844 58.587 1.00 0.00 WT1 H ATOM 18076 OH2 TIP3 6018 30.137 81.267 41.518 1.00 0.00 WT1 O ATOM 18077 H1 TIP3 6018 29.877 81.426 42.425 1.00 0.00 WT1 H ATOM 18078 H2 TIP3 6018 29.374 80.847 41.120 1.00 0.00 WT1 H ATOM 18079 OH2 TIP3 6019 67.676 29.013 61.986 1.00 0.00 WT1 O ATOM 18080 H1 TIP3 6019 68.136 28.192 62.161 1.00 0.00 WT1 H ATOM 18081 H2 TIP3 6019 67.970 29.272 61.113 1.00 0.00 WT1 H ATOM 18082 OH2 TIP3 6020 41.173 10.089 13.180 1.00 0.00 WT1 O ATOM 18083 H1 TIP3 6020 40.368 9.572 13.223 1.00 0.00 WT1 H ATOM 18084 H2 TIP3 6020 41.252 10.483 14.049 1.00 0.00 WT1 H ATOM 18085 OH2 TIP3 6021 51.666 41.188 8.732 1.00 0.00 WT1 O ATOM 18086 H1 TIP3 6021 51.583 41.971 8.188 1.00 0.00 WT1 H ATOM 18087 H2 TIP3 6021 51.588 41.510 9.630 1.00 0.00 WT1 H ATOM 18088 OH2 TIP3 6024 79.422 82.088 -8.812 1.00 0.00 WT1 O ATOM 18089 H1 TIP3 6024 80.015 82.594 -9.368 1.00 0.00 WT1 H ATOM 18090 H2 TIP3 6024 78.546 82.324 -9.118 1.00 0.00 WT1 H ATOM 18091 OH2 TIP3 6026 32.633 46.527 15.972 1.00 0.00 WT1 O ATOM 18092 H1 TIP3 6026 33.233 47.175 16.341 1.00 0.00 WT1 H ATOM 18093 H2 TIP3 6026 33.149 45.723 15.921 1.00 0.00 WT1 H ATOM 18094 OH2 TIP3 6027 58.434 35.314 8.560 1.00 0.00 WT1 O ATOM 18095 H1 TIP3 6027 58.123 35.379 9.463 1.00 0.00 WT1 H ATOM 18096 H2 TIP3 6027 57.761 35.755 8.042 1.00 0.00 WT1 H ATOM 18097 OH2 TIP3 6030 31.747 24.266 56.671 1.00 0.00 WT1 O ATOM 18098 H1 TIP3 6030 32.442 24.156 57.320 1.00 0.00 WT1 H ATOM 18099 H2 TIP3 6030 32.095 24.908 56.053 1.00 0.00 WT1 H ATOM 18100 OH2 TIP3 6031 40.156 68.478 -17.874 1.00 0.00 WT1 O ATOM 18101 H1 TIP3 6031 40.518 67.830 -18.477 1.00 0.00 WT1 H ATOM 18102 H2 TIP3 6031 39.595 69.028 -18.420 1.00 0.00 WT1 H ATOM 18103 OH2 TIP3 6032 52.557 31.168 -12.270 1.00 0.00 WT1 O ATOM 18104 H1 TIP3 6032 52.852 30.591 -11.566 1.00 0.00 WT1 H ATOM 18105 H2 TIP3 6032 51.666 31.413 -12.021 1.00 0.00 WT1 H ATOM 18106 OH2 TIP3 6034 51.502 88.166 41.042 1.00 0.00 WT1 O ATOM 18107 H1 TIP3 6034 51.309 89.100 40.952 1.00 0.00 WT1 H ATOM 18108 H2 TIP3 6034 52.147 87.988 40.357 1.00 0.00 WT1 H ATOM 18109 OH2 TIP3 6035 77.329 59.620 8.506 1.00 0.00 WT1 O ATOM 18110 H1 TIP3 6035 77.642 58.717 8.454 1.00 0.00 WT1 H ATOM 18111 H2 TIP3 6035 77.260 59.796 9.444 1.00 0.00 WT1 H ATOM 18112 OH2 TIP3 6036 77.540 34.546 0.509 1.00 0.00 WT1 O ATOM 18113 H1 TIP3 6036 77.078 35.381 0.441 1.00 0.00 WT1 H ATOM 18114 H2 TIP3 6036 76.854 33.884 0.417 1.00 0.00 WT1 H ATOM 18115 OH2 TIP3 6037 67.814 41.268 7.929 1.00 0.00 WT1 O ATOM 18116 H1 TIP3 6037 67.026 40.809 8.220 1.00 0.00 WT1 H ATOM 18117 H2 TIP3 6037 68.268 41.503 8.738 1.00 0.00 WT1 H ATOM 18118 OH2 TIP3 6039 57.641 33.554 5.790 1.00 0.00 WT1 O ATOM 18119 H1 TIP3 6039 56.993 34.154 6.160 1.00 0.00 WT1 H ATOM 18120 H2 TIP3 6039 57.139 32.993 5.199 1.00 0.00 WT1 H ATOM 18121 OH2 TIP3 6042 58.867 4.967 15.067 1.00 0.00 WT1 O ATOM 18122 H1 TIP3 6042 59.061 5.068 14.135 1.00 0.00 WT1 H ATOM 18123 H2 TIP3 6042 58.795 4.021 15.196 1.00 0.00 WT1 H ATOM 18124 OH2 TIP3 6044 83.030 39.371 -1.394 1.00 0.00 WT1 O ATOM 18125 H1 TIP3 6044 83.439 40.235 -1.355 1.00 0.00 WT1 H ATOM 18126 H2 TIP3 6044 83.668 38.784 -0.988 1.00 0.00 WT1 H ATOM 18127 OH2 TIP3 6046 90.395 76.991 23.319 1.00 0.00 WT1 O ATOM 18128 H1 TIP3 6046 89.638 76.878 22.744 1.00 0.00 WT1 H ATOM 18129 H2 TIP3 6046 90.775 76.115 23.391 1.00 0.00 WT1 H ATOM 18130 OH2 TIP3 6048 44.556 29.424 -14.973 1.00 0.00 WT1 O ATOM 18131 H1 TIP3 6048 44.780 29.148 -14.085 1.00 0.00 WT1 H ATOM 18132 H2 TIP3 6048 44.321 30.348 -14.885 1.00 0.00 WT1 H ATOM 18133 OH2 TIP3 6049 53.830 24.157 41.769 1.00 0.00 WT1 O ATOM 18134 H1 TIP3 6049 54.628 23.911 41.302 1.00 0.00 WT1 H ATOM 18135 H2 TIP3 6049 53.331 23.343 41.839 1.00 0.00 WT1 H ATOM 18136 OH2 TIP3 6050 57.909 5.490 22.459 1.00 0.00 WT1 O ATOM 18137 H1 TIP3 6050 58.323 6.028 23.133 1.00 0.00 WT1 H ATOM 18138 H2 TIP3 6050 57.653 6.112 21.778 1.00 0.00 WT1 H ATOM 18139 OH2 TIP3 6051 23.755 37.691 -7.737 1.00 0.00 WT1 O ATOM 18140 H1 TIP3 6051 23.682 38.082 -8.607 1.00 0.00 WT1 H ATOM 18141 H2 TIP3 6051 24.567 37.186 -7.768 1.00 0.00 WT1 H ATOM 18142 OH2 TIP3 6052 37.552 91.335 -2.549 1.00 0.00 WT1 O ATOM 18143 H1 TIP3 6052 37.416 91.505 -1.617 1.00 0.00 WT1 H ATOM 18144 H2 TIP3 6052 37.700 92.200 -2.932 1.00 0.00 WT1 H ATOM 18145 OH2 TIP3 6053 66.072 36.947 -2.172 1.00 0.00 WT1 O ATOM 18146 H1 TIP3 6053 65.595 37.529 -1.580 1.00 0.00 WT1 H ATOM 18147 H2 TIP3 6053 65.447 36.750 -2.870 1.00 0.00 WT1 H ATOM 18148 OH2 TIP3 6054 61.751 48.836 -2.828 1.00 0.00 WT1 O ATOM 18149 H1 TIP3 6054 61.216 48.744 -2.040 1.00 0.00 WT1 H ATOM 18150 H2 TIP3 6054 61.551 48.058 -3.347 1.00 0.00 WT1 H ATOM 18151 OH2 TIP3 6058 68.306 5.495 31.057 1.00 0.00 WT1 O ATOM 18152 H1 TIP3 6058 67.619 6.015 31.473 1.00 0.00 WT1 H ATOM 18153 H2 TIP3 6058 68.271 5.745 30.134 1.00 0.00 WT1 H ATOM 18154 OH2 TIP3 6059 20.750 57.223 31.689 1.00 0.00 WT1 O ATOM 18155 H1 TIP3 6059 20.868 57.190 32.639 1.00 0.00 WT1 H ATOM 18156 H2 TIP3 6059 21.021 58.108 31.445 1.00 0.00 WT1 H ATOM 18157 OH2 TIP3 6061 41.942 36.279 34.486 1.00 0.00 WT1 O ATOM 18158 H1 TIP3 6061 41.154 36.751 34.218 1.00 0.00 WT1 H ATOM 18159 H2 TIP3 6061 42.603 36.531 33.842 1.00 0.00 WT1 H ATOM 18160 OH2 TIP3 6068 62.223 62.326 -10.710 1.00 0.00 WT1 O ATOM 18161 H1 TIP3 6068 61.477 62.894 -10.902 1.00 0.00 WT1 H ATOM 18162 H2 TIP3 6068 61.905 61.733 -10.030 1.00 0.00 WT1 H ATOM 18163 OH2 TIP3 6069 65.441 81.396 46.295 1.00 0.00 WT1 O ATOM 18164 H1 TIP3 6069 65.868 80.556 46.464 1.00 0.00 WT1 H ATOM 18165 H2 TIP3 6069 64.714 81.425 46.917 1.00 0.00 WT1 H ATOM 18166 OH2 TIP3 6070 75.028 73.836 59.686 1.00 0.00 WT1 O ATOM 18167 H1 TIP3 6070 74.727 73.107 59.143 1.00 0.00 WT1 H ATOM 18168 H2 TIP3 6070 74.784 73.587 60.578 1.00 0.00 WT1 H ATOM 18169 OH2 TIP3 6071 30.534 5.101 -10.296 1.00 0.00 WT1 O ATOM 18170 H1 TIP3 6071 30.078 5.884 -10.606 1.00 0.00 WT1 H ATOM 18171 H2 TIP3 6071 30.440 5.129 -9.344 1.00 0.00 WT1 H ATOM 18172 OH2 TIP3 6072 62.560 79.675 37.831 1.00 0.00 WT1 O ATOM 18173 H1 TIP3 6072 62.399 78.732 37.828 1.00 0.00 WT1 H ATOM 18174 H2 TIP3 6072 62.026 80.012 37.112 1.00 0.00 WT1 H ATOM 18175 OH2 TIP3 6073 61.051 74.346 6.572 1.00 0.00 WT1 O ATOM 18176 H1 TIP3 6073 61.083 75.233 6.929 1.00 0.00 WT1 H ATOM 18177 H2 TIP3 6073 60.399 73.894 7.108 1.00 0.00 WT1 H ATOM 18178 OH2 TIP3 6074 51.542 25.629 -19.220 1.00 0.00 WT1 O ATOM 18179 H1 TIP3 6074 52.455 25.689 -19.504 1.00 0.00 WT1 H ATOM 18180 H2 TIP3 6074 51.051 26.106 -19.889 1.00 0.00 WT1 H ATOM 18181 OH2 TIP3 6075 44.890 66.990 55.016 1.00 0.00 WT1 O ATOM 18182 H1 TIP3 6075 45.248 66.375 54.375 1.00 0.00 WT1 H ATOM 18183 H2 TIP3 6075 45.660 67.399 55.411 1.00 0.00 WT1 H ATOM 18184 OH2 TIP3 6077 60.833 60.514 -12.894 1.00 0.00 WT1 O ATOM 18185 H1 TIP3 6077 60.631 59.593 -12.731 1.00 0.00 WT1 H ATOM 18186 H2 TIP3 6077 60.862 60.911 -12.024 1.00 0.00 WT1 H ATOM 18187 OH2 TIP3 6079 45.762 15.332 -13.837 1.00 0.00 WT1 O ATOM 18188 H1 TIP3 6079 46.480 15.937 -14.025 1.00 0.00 WT1 H ATOM 18189 H2 TIP3 6079 45.865 14.631 -14.481 1.00 0.00 WT1 H ATOM 18190 OH2 TIP3 6083 56.979 9.935 21.536 1.00 0.00 WT1 O ATOM 18191 H1 TIP3 6083 56.901 10.028 22.486 1.00 0.00 WT1 H ATOM 18192 H2 TIP3 6083 57.808 10.362 21.321 1.00 0.00 WT1 H ATOM 18193 OH2 TIP3 6084 60.224 47.007 12.951 1.00 0.00 WT1 O ATOM 18194 H1 TIP3 6084 59.394 46.731 12.563 1.00 0.00 WT1 H ATOM 18195 H2 TIP3 6084 59.971 47.536 13.708 1.00 0.00 WT1 H ATOM 18196 OH2 TIP3 6087 49.332 73.037 56.695 1.00 0.00 WT1 O ATOM 18197 H1 TIP3 6087 49.302 73.054 57.652 1.00 0.00 WT1 H ATOM 18198 H2 TIP3 6087 48.420 73.142 56.425 1.00 0.00 WT1 H ATOM 18199 OH2 TIP3 6088 40.496 14.925 54.828 1.00 0.00 WT1 O ATOM 18200 H1 TIP3 6088 39.916 15.308 55.487 1.00 0.00 WT1 H ATOM 18201 H2 TIP3 6088 41.162 15.595 54.677 1.00 0.00 WT1 H ATOM 18202 OH2 TIP3 6089 77.905 27.816 61.479 1.00 0.00 WT1 O ATOM 18203 H1 TIP3 6089 78.161 28.361 60.734 1.00 0.00 WT1 H ATOM 18204 H2 TIP3 6089 78.709 27.362 61.731 1.00 0.00 WT1 H ATOM 18205 OH2 TIP3 6090 90.721 23.130 -0.941 1.00 0.00 WT1 O ATOM 18206 H1 TIP3 6090 90.294 23.987 -0.945 1.00 0.00 WT1 H ATOM 18207 H2 TIP3 6090 90.193 22.597 -1.536 1.00 0.00 WT1 H ATOM 18208 OH2 TIP3 6091 33.068 45.867 57.569 1.00 0.00 WT1 O ATOM 18209 H1 TIP3 6091 33.726 46.526 57.345 1.00 0.00 WT1 H ATOM 18210 H2 TIP3 6091 32.542 46.278 58.255 1.00 0.00 WT1 H ATOM 18211 OH2 TIP3 6092 68.684 76.812 4.111 1.00 0.00 WT1 O ATOM 18212 H1 TIP3 6092 68.057 77.320 4.625 1.00 0.00 WT1 H ATOM 18213 H2 TIP3 6092 69.103 76.233 4.748 1.00 0.00 WT1 H ATOM 18214 OH2 TIP3 6093 34.966 70.128 58.651 1.00 0.00 WT1 O ATOM 18215 H1 TIP3 6093 35.202 69.333 58.172 1.00 0.00 WT1 H ATOM 18216 H2 TIP3 6093 34.989 69.868 59.572 1.00 0.00 WT1 H ATOM 18217 OH2 TIP3 6095 52.814 21.412 20.515 1.00 0.00 WT1 O ATOM 18218 H1 TIP3 6095 51.972 21.686 20.880 1.00 0.00 WT1 H ATOM 18219 H2 TIP3 6095 53.008 22.067 19.843 1.00 0.00 WT1 H ATOM 18220 OH2 TIP3 6096 47.427 9.877 59.729 1.00 0.00 WT1 O ATOM 18221 H1 TIP3 6096 46.537 9.524 59.716 1.00 0.00 WT1 H ATOM 18222 H2 TIP3 6096 47.990 9.107 59.807 1.00 0.00 WT1 H ATOM 18223 OH2 TIP3 6097 69.964 28.685 20.091 1.00 0.00 WT1 O ATOM 18224 H1 TIP3 6097 70.641 28.565 20.758 1.00 0.00 WT1 H ATOM 18225 H2 TIP3 6097 70.124 29.562 19.743 1.00 0.00 WT1 H ATOM 18226 OH2 TIP3 6098 36.794 55.573 61.788 1.00 0.00 WT1 O ATOM 18227 H1 TIP3 6098 36.672 55.733 60.852 1.00 0.00 WT1 H ATOM 18228 H2 TIP3 6098 37.273 54.745 61.829 1.00 0.00 WT1 H ATOM 18229 OH2 TIP3 6099 60.089 74.378 46.052 1.00 0.00 WT1 O ATOM 18230 H1 TIP3 6099 59.357 74.836 45.640 1.00 0.00 WT1 H ATOM 18231 H2 TIP3 6099 59.936 73.454 45.854 1.00 0.00 WT1 H ATOM 18232 OH2 TIP3 6101 82.386 40.157 3.554 1.00 0.00 WT1 O ATOM 18233 H1 TIP3 6101 82.616 39.911 4.450 1.00 0.00 WT1 H ATOM 18234 H2 TIP3 6101 82.976 39.641 3.004 1.00 0.00 WT1 H ATOM 18235 OH2 TIP3 6102 80.425 27.307 62.195 1.00 0.00 WT1 O ATOM 18236 H1 TIP3 6102 80.295 27.232 63.140 1.00 0.00 WT1 H ATOM 18237 H2 TIP3 6102 81.213 27.843 62.102 1.00 0.00 WT1 H ATOM 18238 OH2 TIP3 6105 73.456 74.669 18.522 1.00 0.00 WT1 O ATOM 18239 H1 TIP3 6105 72.635 74.178 18.469 1.00 0.00 WT1 H ATOM 18240 H2 TIP3 6105 74.009 74.149 19.104 1.00 0.00 WT1 H ATOM 18241 OH2 TIP3 6106 87.348 16.775 54.394 1.00 0.00 WT1 O ATOM 18242 H1 TIP3 6106 87.597 17.156 55.236 1.00 0.00 WT1 H ATOM 18243 H2 TIP3 6106 87.338 17.517 53.789 1.00 0.00 WT1 H ATOM 18244 OH2 TIP3 6108 84.934 20.610 41.801 1.00 0.00 WT1 O ATOM 18245 H1 TIP3 6108 84.448 21.396 42.048 1.00 0.00 WT1 H ATOM 18246 H2 TIP3 6108 85.718 20.941 41.364 1.00 0.00 WT1 H ATOM 18247 OH2 TIP3 6110 83.020 25.359 -19.566 1.00 0.00 WT1 O ATOM 18248 H1 TIP3 6110 83.758 24.887 -19.181 1.00 0.00 WT1 H ATOM 18249 H2 TIP3 6110 83.308 25.572 -20.454 1.00 0.00 WT1 H ATOM 18250 OH2 TIP3 6111 72.690 57.201 47.211 1.00 0.00 WT1 O ATOM 18251 H1 TIP3 6111 72.121 56.707 47.802 1.00 0.00 WT1 H ATOM 18252 H2 TIP3 6111 72.165 57.322 46.419 1.00 0.00 WT1 H ATOM 18253 OH2 TIP3 6112 21.973 86.358 -7.209 1.00 0.00 WT1 O ATOM 18254 H1 TIP3 6112 21.707 85.439 -7.165 1.00 0.00 WT1 H ATOM 18255 H2 TIP3 6112 22.903 86.349 -6.981 1.00 0.00 WT1 H ATOM 18256 OH2 TIP3 6113 41.685 57.580 16.937 1.00 0.00 WT1 O ATOM 18257 H1 TIP3 6113 41.045 58.130 17.389 1.00 0.00 WT1 H ATOM 18258 H2 TIP3 6113 42.506 58.068 16.997 1.00 0.00 WT1 H ATOM 18259 OH2 TIP3 6116 68.211 35.328 -13.362 1.00 0.00 WT1 O ATOM 18260 H1 TIP3 6116 68.354 34.643 -14.015 1.00 0.00 WT1 H ATOM 18261 H2 TIP3 6116 68.633 34.996 -12.570 1.00 0.00 WT1 H ATOM 18262 OH2 TIP3 6117 55.281 57.795 -9.763 1.00 0.00 WT1 O ATOM 18263 H1 TIP3 6117 56.187 57.541 -9.585 1.00 0.00 WT1 H ATOM 18264 H2 TIP3 6117 54.963 58.145 -8.931 1.00 0.00 WT1 H ATOM 18265 OH2 TIP3 6120 84.984 81.591 44.970 1.00 0.00 WT1 O ATOM 18266 H1 TIP3 6120 85.778 81.687 45.496 1.00 0.00 WT1 H ATOM 18267 H2 TIP3 6120 85.296 81.563 44.066 1.00 0.00 WT1 H ATOM 18268 OH2 TIP3 6122 63.279 61.470 38.978 1.00 0.00 WT1 O ATOM 18269 H1 TIP3 6122 62.358 61.696 38.854 1.00 0.00 WT1 H ATOM 18270 H2 TIP3 6122 63.272 60.806 39.667 1.00 0.00 WT1 H ATOM 18271 OH2 TIP3 6125 36.633 7.686 43.831 1.00 0.00 WT1 O ATOM 18272 H1 TIP3 6125 35.885 8.105 44.256 1.00 0.00 WT1 H ATOM 18273 H2 TIP3 6125 36.684 6.819 44.235 1.00 0.00 WT1 H ATOM 18274 OH2 TIP3 6126 47.935 89.175 13.833 1.00 0.00 WT1 O ATOM 18275 H1 TIP3 6126 48.040 88.333 13.389 1.00 0.00 WT1 H ATOM 18276 H2 TIP3 6126 47.917 88.955 14.764 1.00 0.00 WT1 H ATOM 18277 OH2 TIP3 6127 20.615 41.942 23.691 1.00 0.00 WT1 O ATOM 18278 H1 TIP3 6127 21.147 41.324 24.192 1.00 0.00 WT1 H ATOM 18279 H2 TIP3 6127 20.832 42.799 24.059 1.00 0.00 WT1 H ATOM 18280 OH2 TIP3 6130 44.062 52.672 27.364 1.00 0.00 WT1 O ATOM 18281 H1 TIP3 6130 43.593 52.165 26.701 1.00 0.00 WT1 H ATOM 18282 H2 TIP3 6130 44.987 52.537 27.160 1.00 0.00 WT1 H ATOM 18283 OH2 TIP3 6131 30.191 12.746 45.206 1.00 0.00 WT1 O ATOM 18284 H1 TIP3 6131 30.926 12.334 45.660 1.00 0.00 WT1 H ATOM 18285 H2 TIP3 6131 30.226 13.664 45.476 1.00 0.00 WT1 H ATOM 18286 OH2 TIP3 6132 42.556 50.989 36.771 1.00 0.00 WT1 O ATOM 18287 H1 TIP3 6132 42.045 51.638 36.288 1.00 0.00 WT1 H ATOM 18288 H2 TIP3 6132 43.437 51.053 36.401 1.00 0.00 WT1 H ATOM 18289 OH2 TIP3 6133 40.028 27.678 -9.105 1.00 0.00 WT1 O ATOM 18290 H1 TIP3 6133 39.318 27.261 -8.616 1.00 0.00 WT1 H ATOM 18291 H2 TIP3 6133 39.677 27.791 -9.988 1.00 0.00 WT1 H ATOM 18292 OH2 TIP3 6134 50.178 62.123 -12.289 1.00 0.00 WT1 O ATOM 18293 H1 TIP3 6134 50.586 62.581 -13.024 1.00 0.00 WT1 H ATOM 18294 H2 TIP3 6134 49.668 62.796 -11.840 1.00 0.00 WT1 H ATOM 18295 OH2 TIP3 6135 80.691 33.478 4.237 1.00 0.00 WT1 O ATOM 18296 H1 TIP3 6135 80.418 32.969 5.001 1.00 0.00 WT1 H ATOM 18297 H2 TIP3 6135 80.052 34.189 4.182 1.00 0.00 WT1 H ATOM 18298 OH2 TIP3 6136 55.989 14.194 20.179 1.00 0.00 WT1 O ATOM 18299 H1 TIP3 6136 55.350 13.588 19.804 1.00 0.00 WT1 H ATOM 18300 H2 TIP3 6136 55.654 15.063 19.956 1.00 0.00 WT1 H ATOM 18301 OH2 TIP3 6137 66.366 92.154 8.179 1.00 0.00 WT1 O ATOM 18302 H1 TIP3 6137 65.595 91.669 7.885 1.00 0.00 WT1 H ATOM 18303 H2 TIP3 6137 66.525 91.837 9.068 1.00 0.00 WT1 H ATOM 18304 OH2 TIP3 6138 42.253 23.895 -18.252 1.00 0.00 WT1 O ATOM 18305 H1 TIP3 6138 41.463 24.229 -17.828 1.00 0.00 WT1 H ATOM 18306 H2 TIP3 6138 42.277 22.968 -18.016 1.00 0.00 WT1 H ATOM 18307 OH2 TIP3 6139 22.233 91.015 -9.286 1.00 0.00 WT1 O ATOM 18308 H1 TIP3 6139 21.471 91.533 -9.548 1.00 0.00 WT1 H ATOM 18309 H2 TIP3 6139 21.955 90.568 -8.487 1.00 0.00 WT1 H ATOM 18310 OH2 TIP3 6141 67.150 57.894 -9.214 1.00 0.00 WT1 O ATOM 18311 H1 TIP3 6141 67.309 58.705 -9.697 1.00 0.00 WT1 H ATOM 18312 H2 TIP3 6141 66.966 58.180 -8.319 1.00 0.00 WT1 H ATOM 18313 OH2 TIP3 6144 72.271 6.464 -17.323 1.00 0.00 WT1 O ATOM 18314 H1 TIP3 6144 71.792 6.710 -18.114 1.00 0.00 WT1 H ATOM 18315 H2 TIP3 6144 73.193 6.524 -17.572 1.00 0.00 WT1 H ATOM 18316 OH2 TIP3 6146 39.228 79.565 62.918 1.00 0.00 WT1 O ATOM 18317 H1 TIP3 6146 39.850 79.709 63.631 1.00 0.00 WT1 H ATOM 18318 H2 TIP3 6146 38.824 78.720 63.118 1.00 0.00 WT1 H ATOM 18319 OH2 TIP3 6147 75.441 41.972 10.468 1.00 0.00 WT1 O ATOM 18320 H1 TIP3 6147 74.685 42.559 10.456 1.00 0.00 WT1 H ATOM 18321 H2 TIP3 6147 76.022 42.344 11.132 1.00 0.00 WT1 H ATOM 18322 OH2 TIP3 6148 84.709 43.713 -19.878 1.00 0.00 WT1 O ATOM 18323 H1 TIP3 6148 85.549 44.078 -19.600 1.00 0.00 WT1 H ATOM 18324 H2 TIP3 6148 84.085 44.429 -19.761 1.00 0.00 WT1 H ATOM 18325 OH2 TIP3 6150 42.449 49.433 33.450 1.00 0.00 WT1 O ATOM 18326 H1 TIP3 6150 41.519 49.256 33.588 1.00 0.00 WT1 H ATOM 18327 H2 TIP3 6150 42.525 50.385 33.511 1.00 0.00 WT1 H ATOM 18328 OH2 TIP3 6151 88.636 44.819 24.893 1.00 0.00 WT1 O ATOM 18329 H1 TIP3 6151 88.286 44.771 24.003 1.00 0.00 WT1 H ATOM 18330 H2 TIP3 6151 89.345 45.460 24.836 1.00 0.00 WT1 H ATOM 18331 OH2 TIP3 6152 53.167 81.481 38.127 1.00 0.00 WT1 O ATOM 18332 H1 TIP3 6152 52.567 81.418 37.383 1.00 0.00 WT1 H ATOM 18333 H2 TIP3 6152 53.050 82.373 38.454 1.00 0.00 WT1 H ATOM 18334 OH2 TIP3 6153 36.940 64.426 2.667 1.00 0.00 WT1 O ATOM 18335 H1 TIP3 6153 37.263 63.554 2.897 1.00 0.00 WT1 H ATOM 18336 H2 TIP3 6153 36.773 64.379 1.726 1.00 0.00 WT1 H ATOM 18337 OH2 TIP3 6154 64.316 64.606 21.176 1.00 0.00 WT1 O ATOM 18338 H1 TIP3 6154 63.546 65.090 20.879 1.00 0.00 WT1 H ATOM 18339 H2 TIP3 6154 63.975 63.753 21.444 1.00 0.00 WT1 H ATOM 18340 OH2 TIP3 6155 21.666 42.001 37.853 1.00 0.00 WT1 O ATOM 18341 H1 TIP3 6155 21.626 42.485 37.028 1.00 0.00 WT1 H ATOM 18342 H2 TIP3 6155 20.772 41.688 37.991 1.00 0.00 WT1 H ATOM 18343 OH2 TIP3 6156 67.971 73.714 39.530 1.00 0.00 WT1 O ATOM 18344 H1 TIP3 6156 67.120 73.853 39.116 1.00 0.00 WT1 H ATOM 18345 H2 TIP3 6156 67.769 73.263 40.349 1.00 0.00 WT1 H ATOM 18346 OH2 TIP3 6157 24.102 29.873 40.623 1.00 0.00 WT1 O ATOM 18347 H1 TIP3 6157 23.564 30.551 41.032 1.00 0.00 WT1 H ATOM 18348 H2 TIP3 6157 23.637 29.652 39.816 1.00 0.00 WT1 H ATOM 18349 OH2 TIP3 6158 76.579 86.506 63.333 1.00 0.00 WT1 O ATOM 18350 H1 TIP3 6158 77.052 87.052 62.705 1.00 0.00 WT1 H ATOM 18351 H2 TIP3 6158 77.083 85.693 63.370 1.00 0.00 WT1 H ATOM 18352 OH2 TIP3 6159 23.398 77.530 53.901 1.00 0.00 WT1 O ATOM 18353 H1 TIP3 6159 24.182 77.648 54.437 1.00 0.00 WT1 H ATOM 18354 H2 TIP3 6159 23.024 76.702 54.202 1.00 0.00 WT1 H ATOM 18355 OH2 TIP3 6160 83.738 36.055 -2.049 1.00 0.00 WT1 O ATOM 18356 H1 TIP3 6160 83.321 35.336 -2.524 1.00 0.00 WT1 H ATOM 18357 H2 TIP3 6160 83.665 35.808 -1.128 1.00 0.00 WT1 H ATOM 18358 OH2 TIP3 6162 64.419 18.401 -5.863 1.00 0.00 WT1 O ATOM 18359 H1 TIP3 6162 64.074 19.294 -5.842 1.00 0.00 WT1 H ATOM 18360 H2 TIP3 6162 65.071 18.413 -6.564 1.00 0.00 WT1 H ATOM 18361 OH2 TIP3 6163 55.511 14.132 49.919 1.00 0.00 WT1 O ATOM 18362 H1 TIP3 6163 55.691 13.515 49.209 1.00 0.00 WT1 H ATOM 18363 H2 TIP3 6163 56.333 14.607 50.038 1.00 0.00 WT1 H ATOM 18364 OH2 TIP3 6164 60.613 73.998 28.642 1.00 0.00 WT1 O ATOM 18365 H1 TIP3 6164 60.044 73.529 29.253 1.00 0.00 WT1 H ATOM 18366 H2 TIP3 6164 60.439 73.593 27.793 1.00 0.00 WT1 H ATOM 18367 OH2 TIP3 6166 45.890 52.279 58.468 1.00 0.00 WT1 O ATOM 18368 H1 TIP3 6166 46.286 53.006 58.950 1.00 0.00 WT1 H ATOM 18369 H2 TIP3 6166 46.597 51.946 57.915 1.00 0.00 WT1 H ATOM 18370 OH2 TIP3 6167 73.775 51.459 22.092 1.00 0.00 WT1 O ATOM 18371 H1 TIP3 6167 74.481 50.842 21.900 1.00 0.00 WT1 H ATOM 18372 H2 TIP3 6167 73.889 52.161 21.451 1.00 0.00 WT1 H ATOM 18373 OH2 TIP3 6171 27.211 44.065 26.857 1.00 0.00 WT1 O ATOM 18374 H1 TIP3 6171 27.194 44.211 25.912 1.00 0.00 WT1 H ATOM 18375 H2 TIP3 6171 26.292 44.097 27.122 1.00 0.00 WT1 H ATOM 18376 OH2 TIP3 6172 30.734 53.382 53.726 1.00 0.00 WT1 O ATOM 18377 H1 TIP3 6172 30.704 54.331 53.849 1.00 0.00 WT1 H ATOM 18378 H2 TIP3 6172 31.549 53.111 54.149 1.00 0.00 WT1 H ATOM 18379 OH2 TIP3 6175 36.561 28.779 13.157 1.00 0.00 WT1 O ATOM 18380 H1 TIP3 6175 36.829 28.236 13.898 1.00 0.00 WT1 H ATOM 18381 H2 TIP3 6175 35.829 29.298 13.491 1.00 0.00 WT1 H ATOM 18382 OH2 TIP3 6176 51.921 16.694 0.007 1.00 0.00 WT1 O ATOM 18383 H1 TIP3 6176 52.703 16.970 -0.469 1.00 0.00 WT1 H ATOM 18384 H2 TIP3 6176 51.754 17.405 0.626 1.00 0.00 WT1 H ATOM 18385 OH2 TIP3 6177 37.492 13.099 41.824 1.00 0.00 WT1 O ATOM 18386 H1 TIP3 6177 38.336 12.663 41.708 1.00 0.00 WT1 H ATOM 18387 H2 TIP3 6177 37.166 12.773 42.663 1.00 0.00 WT1 H ATOM 18388 OH2 TIP3 6178 67.544 80.738 -19.640 1.00 0.00 WT1 O ATOM 18389 H1 TIP3 6178 67.407 80.779 -18.694 1.00 0.00 WT1 H ATOM 18390 H2 TIP3 6178 68.282 80.139 -19.751 1.00 0.00 WT1 H ATOM 18391 OH2 TIP3 6180 89.011 46.665 -0.357 1.00 0.00 WT1 O ATOM 18392 H1 TIP3 6180 88.115 46.328 -0.350 1.00 0.00 WT1 H ATOM 18393 H2 TIP3 6180 88.930 47.567 -0.048 1.00 0.00 WT1 H ATOM 18394 OH2 TIP3 6181 60.438 90.108 -12.961 1.00 0.00 WT1 O ATOM 18395 H1 TIP3 6181 60.498 89.783 -13.860 1.00 0.00 WT1 H ATOM 18396 H2 TIP3 6181 61.307 89.950 -12.591 1.00 0.00 WT1 H ATOM 18397 OH2 TIP3 6182 34.759 57.266 10.621 1.00 0.00 WT1 O ATOM 18398 H1 TIP3 6182 35.552 57.145 10.099 1.00 0.00 WT1 H ATOM 18399 H2 TIP3 6182 35.024 57.048 11.515 1.00 0.00 WT1 H ATOM 18400 OH2 TIP3 6183 21.909 9.229 50.978 1.00 0.00 WT1 O ATOM 18401 H1 TIP3 6183 22.362 8.720 50.306 1.00 0.00 WT1 H ATOM 18402 H2 TIP3 6183 21.728 10.071 50.560 1.00 0.00 WT1 H ATOM 18403 OH2 TIP3 6184 86.489 0.987 47.791 1.00 0.00 WT1 O ATOM 18404 H1 TIP3 6184 85.617 0.704 47.517 1.00 0.00 WT1 H ATOM 18405 H2 TIP3 6184 86.442 1.021 48.747 1.00 0.00 WT1 H ATOM 18406 OH2 TIP3 6186 48.462 45.495 -0.347 1.00 0.00 WT1 O ATOM 18407 H1 TIP3 6186 47.836 45.548 -1.069 1.00 0.00 WT1 H ATOM 18408 H2 TIP3 6186 49.311 45.670 -0.753 1.00 0.00 WT1 H ATOM 18409 OH2 TIP3 6187 38.872 88.312 18.021 1.00 0.00 WT1 O ATOM 18410 H1 TIP3 6187 39.804 88.495 18.145 1.00 0.00 WT1 H ATOM 18411 H2 TIP3 6187 38.842 87.397 17.741 1.00 0.00 WT1 H ATOM 18412 OH2 TIP3 6188 59.752 10.788 33.367 1.00 0.00 WT1 O ATOM 18413 H1 TIP3 6188 60.155 10.945 32.513 1.00 0.00 WT1 H ATOM 18414 H2 TIP3 6188 58.911 11.243 33.323 1.00 0.00 WT1 H ATOM 18415 OH2 TIP3 6189 29.422 83.079 -0.516 1.00 0.00 WT1 O ATOM 18416 H1 TIP3 6189 30.047 82.894 -1.217 1.00 0.00 WT1 H ATOM 18417 H2 TIP3 6189 29.666 82.478 0.188 1.00 0.00 WT1 H ATOM 18418 OH2 TIP3 6191 72.746 42.948 51.774 1.00 0.00 WT1 O ATOM 18419 H1 TIP3 6191 72.728 42.013 51.978 1.00 0.00 WT1 H ATOM 18420 H2 TIP3 6191 72.512 43.378 52.597 1.00 0.00 WT1 H ATOM 18421 OH2 TIP3 6192 79.649 18.223 3.081 1.00 0.00 WT1 O ATOM 18422 H1 TIP3 6192 78.826 18.690 3.226 1.00 0.00 WT1 H ATOM 18423 H2 TIP3 6192 80.220 18.519 3.790 1.00 0.00 WT1 H ATOM 18424 OH2 TIP3 6193 22.074 77.054 7.740 1.00 0.00 WT1 O ATOM 18425 H1 TIP3 6193 21.638 76.207 7.647 1.00 0.00 WT1 H ATOM 18426 H2 TIP3 6193 22.901 76.952 7.270 1.00 0.00 WT1 H ATOM 18427 OH2 TIP3 6194 79.475 51.484 -15.513 1.00 0.00 WT1 O ATOM 18428 H1 TIP3 6194 80.041 51.620 -14.754 1.00 0.00 WT1 H ATOM 18429 H2 TIP3 6194 78.780 52.134 -15.414 1.00 0.00 WT1 H ATOM 18430 OH2 TIP3 6195 89.847 76.128 -8.402 1.00 0.00 WT1 O ATOM 18431 H1 TIP3 6195 89.392 75.425 -8.865 1.00 0.00 WT1 H ATOM 18432 H2 TIP3 6195 90.295 75.689 -7.679 1.00 0.00 WT1 H ATOM 18433 OH2 TIP3 6196 43.171 25.615 54.667 1.00 0.00 WT1 O ATOM 18434 H1 TIP3 6196 42.657 25.812 55.450 1.00 0.00 WT1 H ATOM 18435 H2 TIP3 6196 43.160 24.660 54.607 1.00 0.00 WT1 H ATOM 18436 OH2 TIP3 6197 72.031 57.813 -19.576 1.00 0.00 WT1 O ATOM 18437 H1 TIP3 6197 72.722 58.224 -19.057 1.00 0.00 WT1 H ATOM 18438 H2 TIP3 6197 71.742 57.069 -19.047 1.00 0.00 WT1 H ATOM 18439 OH2 TIP3 6198 89.511 1.200 7.977 1.00 0.00 WT1 O ATOM 18440 H1 TIP3 6198 88.833 1.492 7.368 1.00 0.00 WT1 H ATOM 18441 H2 TIP3 6198 89.038 0.703 8.644 1.00 0.00 WT1 H ATOM 18442 OH2 TIP3 6199 48.555 55.827 -3.788 1.00 0.00 WT1 O ATOM 18443 H1 TIP3 6199 49.083 56.033 -3.017 1.00 0.00 WT1 H ATOM 18444 H2 TIP3 6199 49.187 55.774 -4.505 1.00 0.00 WT1 H ATOM 18445 OH2 TIP3 6200 85.730 57.402 57.030 1.00 0.00 WT1 O ATOM 18446 H1 TIP3 6200 85.816 56.449 57.042 1.00 0.00 WT1 H ATOM 18447 H2 TIP3 6200 86.516 57.719 57.475 1.00 0.00 WT1 H ATOM 18448 OH2 TIP3 6201 51.094 7.593 -15.417 1.00 0.00 WT1 O ATOM 18449 H1 TIP3 6201 50.501 6.862 -15.591 1.00 0.00 WT1 H ATOM 18450 H2 TIP3 6201 50.931 7.821 -14.502 1.00 0.00 WT1 H ATOM 18451 OH2 TIP3 6202 55.979 32.421 44.598 1.00 0.00 WT1 O ATOM 18452 H1 TIP3 6202 56.590 32.937 44.070 1.00 0.00 WT1 H ATOM 18453 H2 TIP3 6202 55.463 31.932 43.957 1.00 0.00 WT1 H ATOM 18454 OH2 TIP3 6203 51.984 19.887 -3.636 1.00 0.00 WT1 O ATOM 18455 H1 TIP3 6203 52.160 19.869 -4.577 1.00 0.00 WT1 H ATOM 18456 H2 TIP3 6203 52.168 20.789 -3.375 1.00 0.00 WT1 H ATOM 18457 OH2 TIP3 6204 50.738 15.143 27.308 1.00 0.00 WT1 O ATOM 18458 H1 TIP3 6204 51.359 15.147 26.580 1.00 0.00 WT1 H ATOM 18459 H2 TIP3 6204 49.932 15.504 26.939 1.00 0.00 WT1 H ATOM 18460 OH2 TIP3 6205 54.473 94.268 -9.411 1.00 0.00 WT1 O ATOM 18461 H1 TIP3 6205 54.443 93.876 -8.538 1.00 0.00 WT1 H ATOM 18462 H2 TIP3 6205 55.341 94.044 -9.745 1.00 0.00 WT1 H ATOM 18463 OH2 TIP3 6207 83.728 92.384 -12.577 1.00 0.00 WT1 O ATOM 18464 H1 TIP3 6207 84.189 91.699 -13.060 1.00 0.00 WT1 H ATOM 18465 H2 TIP3 6207 83.917 93.188 -13.061 1.00 0.00 WT1 H ATOM 18466 OH2 TIP3 6208 29.727 38.384 22.909 1.00 0.00 WT1 O ATOM 18467 H1 TIP3 6208 30.669 38.553 22.935 1.00 0.00 WT1 H ATOM 18468 H2 TIP3 6208 29.330 39.251 22.829 1.00 0.00 WT1 H ATOM 18469 OH2 TIP3 6209 54.072 55.067 20.322 1.00 0.00 WT1 O ATOM 18470 H1 TIP3 6209 53.856 54.537 19.555 1.00 0.00 WT1 H ATOM 18471 H2 TIP3 6209 53.445 55.790 20.299 1.00 0.00 WT1 H ATOM 18472 OH2 TIP3 6210 86.966 48.623 13.995 1.00 0.00 WT1 O ATOM 18473 H1 TIP3 6210 86.416 48.002 14.471 1.00 0.00 WT1 H ATOM 18474 H2 TIP3 6210 87.031 48.260 13.112 1.00 0.00 WT1 H ATOM 18475 OH2 TIP3 6211 33.790 62.586 10.329 1.00 0.00 WT1 O ATOM 18476 H1 TIP3 6211 34.038 62.028 11.066 1.00 0.00 WT1 H ATOM 18477 H2 TIP3 6211 33.725 63.464 10.704 1.00 0.00 WT1 H ATOM 18478 OH2 TIP3 6212 88.396 37.555 27.118 1.00 0.00 WT1 O ATOM 18479 H1 TIP3 6212 88.830 38.362 26.841 1.00 0.00 WT1 H ATOM 18480 H2 TIP3 6212 87.471 37.792 27.188 1.00 0.00 WT1 H ATOM 18481 OH2 TIP3 6213 38.298 76.632 51.115 1.00 0.00 WT1 O ATOM 18482 H1 TIP3 6213 37.753 75.868 50.929 1.00 0.00 WT1 H ATOM 18483 H2 TIP3 6213 37.675 77.351 51.224 1.00 0.00 WT1 H ATOM 18484 OH2 TIP3 6214 54.133 37.423 65.697 1.00 0.00 WT1 O ATOM 18485 H1 TIP3 6214 53.349 37.916 65.457 1.00 0.00 WT1 H ATOM 18486 H2 TIP3 6214 53.812 36.721 66.262 1.00 0.00 WT1 H ATOM 18487 OH2 TIP3 6215 77.586 72.720 15.739 1.00 0.00 WT1 O ATOM 18488 H1 TIP3 6215 77.342 72.734 16.665 1.00 0.00 WT1 H ATOM 18489 H2 TIP3 6215 76.886 72.224 15.314 1.00 0.00 WT1 H ATOM 18490 OH2 TIP3 6216 84.712 78.732 38.665 1.00 0.00 WT1 O ATOM 18491 H1 TIP3 6216 84.684 78.355 39.544 1.00 0.00 WT1 H ATOM 18492 H2 TIP3 6216 83.794 78.820 38.412 1.00 0.00 WT1 H ATOM 18493 OH2 TIP3 6217 60.757 9.336 46.693 1.00 0.00 WT1 O ATOM 18494 H1 TIP3 6217 61.331 8.606 46.926 1.00 0.00 WT1 H ATOM 18495 H2 TIP3 6217 60.256 9.017 45.942 1.00 0.00 WT1 H ATOM 18496 OH2 TIP3 6218 29.279 81.501 -12.421 1.00 0.00 WT1 O ATOM 18497 H1 TIP3 6218 28.984 81.971 -13.201 1.00 0.00 WT1 H ATOM 18498 H2 TIP3 6218 29.629 82.182 -11.847 1.00 0.00 WT1 H ATOM 18499 OH2 TIP3 6219 38.771 54.172 48.066 1.00 0.00 WT1 O ATOM 18500 H1 TIP3 6219 38.520 54.634 48.866 1.00 0.00 WT1 H ATOM 18501 H2 TIP3 6219 39.633 54.525 47.846 1.00 0.00 WT1 H ATOM 18502 OH2 TIP3 6220 87.193 78.937 4.397 1.00 0.00 WT1 O ATOM 18503 H1 TIP3 6220 87.483 78.029 4.475 1.00 0.00 WT1 H ATOM 18504 H2 TIP3 6220 87.945 79.397 4.023 1.00 0.00 WT1 H ATOM 18505 OH2 TIP3 6221 83.170 56.201 13.259 1.00 0.00 WT1 O ATOM 18506 H1 TIP3 6221 82.702 56.248 14.092 1.00 0.00 WT1 H ATOM 18507 H2 TIP3 6221 83.490 57.091 13.112 1.00 0.00 WT1 H ATOM 18508 OH2 TIP3 6223 78.418 91.082 11.172 1.00 0.00 WT1 O ATOM 18509 H1 TIP3 6223 79.137 90.834 10.590 1.00 0.00 WT1 H ATOM 18510 H2 TIP3 6223 78.850 91.454 11.941 1.00 0.00 WT1 H ATOM 18511 OH2 TIP3 6224 61.968 94.481 64.497 1.00 0.00 WT1 O ATOM 18512 H1 TIP3 6224 61.790 93.707 63.963 1.00 0.00 WT1 H ATOM 18513 H2 TIP3 6224 61.402 94.380 65.263 1.00 0.00 WT1 H ATOM 18514 OH2 TIP3 6225 66.815 22.957 22.890 1.00 0.00 WT1 O ATOM 18515 H1 TIP3 6225 67.725 23.170 23.099 1.00 0.00 WT1 H ATOM 18516 H2 TIP3 6225 66.329 23.173 23.685 1.00 0.00 WT1 H ATOM 18517 OH2 TIP3 6227 89.470 24.710 -19.584 1.00 0.00 WT1 O ATOM 18518 H1 TIP3 6227 89.826 25.546 -19.283 1.00 0.00 WT1 H ATOM 18519 H2 TIP3 6227 88.942 24.396 -18.849 1.00 0.00 WT1 H ATOM 18520 OH2 TIP3 6228 42.793 12.750 27.199 1.00 0.00 WT1 O ATOM 18521 H1 TIP3 6228 42.852 13.679 27.424 1.00 0.00 WT1 H ATOM 18522 H2 TIP3 6228 43.397 12.643 26.464 1.00 0.00 WT1 H ATOM 18523 OH2 TIP3 6229 75.925 89.500 18.535 1.00 0.00 WT1 O ATOM 18524 H1 TIP3 6229 75.208 89.448 17.903 1.00 0.00 WT1 H ATOM 18525 H2 TIP3 6229 75.751 88.792 19.154 1.00 0.00 WT1 H ATOM 18526 OH2 TIP3 6230 70.219 55.859 28.941 1.00 0.00 WT1 O ATOM 18527 H1 TIP3 6230 69.802 55.000 28.875 1.00 0.00 WT1 H ATOM 18528 H2 TIP3 6230 69.504 56.483 28.816 1.00 0.00 WT1 H ATOM 18529 OH2 TIP3 6231 49.244 17.511 55.805 1.00 0.00 WT1 O ATOM 18530 H1 TIP3 6231 48.974 17.913 54.979 1.00 0.00 WT1 H ATOM 18531 H2 TIP3 6231 48.429 17.200 56.198 1.00 0.00 WT1 H ATOM 18532 OH2 TIP3 6232 52.468 45.169 61.022 1.00 0.00 WT1 O ATOM 18533 H1 TIP3 6232 52.608 45.681 61.819 1.00 0.00 WT1 H ATOM 18534 H2 TIP3 6232 52.341 45.824 60.336 1.00 0.00 WT1 H ATOM 18535 OH2 TIP3 6233 48.917 12.302 17.246 1.00 0.00 WT1 O ATOM 18536 H1 TIP3 6233 48.522 13.024 16.756 1.00 0.00 WT1 H ATOM 18537 H2 TIP3 6233 49.743 12.129 16.794 1.00 0.00 WT1 H ATOM 18538 OH2 TIP3 6234 46.797 51.642 44.499 1.00 0.00 WT1 O ATOM 18539 H1 TIP3 6234 47.129 52.517 44.298 1.00 0.00 WT1 H ATOM 18540 H2 TIP3 6234 47.568 51.156 44.793 1.00 0.00 WT1 H ATOM 18541 OH2 TIP3 6235 88.147 38.861 -5.555 1.00 0.00 WT1 O ATOM 18542 H1 TIP3 6235 88.345 39.717 -5.936 1.00 0.00 WT1 H ATOM 18543 H2 TIP3 6235 88.198 38.252 -6.292 1.00 0.00 WT1 H ATOM 18544 OH2 TIP3 6236 50.339 10.370 27.775 1.00 0.00 WT1 O ATOM 18545 H1 TIP3 6236 49.695 11.071 27.673 1.00 0.00 WT1 H ATOM 18546 H2 TIP3 6236 51.162 10.826 27.953 1.00 0.00 WT1 H ATOM 18547 OH2 TIP3 6237 54.925 13.101 47.398 1.00 0.00 WT1 O ATOM 18548 H1 TIP3 6237 54.207 12.469 47.388 1.00 0.00 WT1 H ATOM 18549 H2 TIP3 6237 55.664 12.632 47.010 1.00 0.00 WT1 H ATOM 18550 OH2 TIP3 6238 54.706 10.655 1.825 1.00 0.00 WT1 O ATOM 18551 H1 TIP3 6238 54.474 11.543 1.552 1.00 0.00 WT1 H ATOM 18552 H2 TIP3 6238 54.060 10.434 2.496 1.00 0.00 WT1 H ATOM 18553 OH2 TIP3 6239 59.869 32.362 -4.137 1.00 0.00 WT1 O ATOM 18554 H1 TIP3 6239 59.182 31.949 -4.659 1.00 0.00 WT1 H ATOM 18555 H2 TIP3 6239 60.069 33.174 -4.603 1.00 0.00 WT1 H ATOM 18556 OH2 TIP3 6240 88.068 80.193 38.699 1.00 0.00 WT1 O ATOM 18557 H1 TIP3 6240 87.798 80.036 37.794 1.00 0.00 WT1 H ATOM 18558 H2 TIP3 6240 87.341 80.682 39.085 1.00 0.00 WT1 H ATOM 18559 OH2 TIP3 6241 40.578 3.734 29.047 1.00 0.00 WT1 O ATOM 18560 H1 TIP3 6241 40.962 3.840 29.917 1.00 0.00 WT1 H ATOM 18561 H2 TIP3 6241 40.013 4.499 28.938 1.00 0.00 WT1 H ATOM 18562 OH2 TIP3 6242 86.737 25.184 5.677 1.00 0.00 WT1 O ATOM 18563 H1 TIP3 6242 87.679 25.114 5.836 1.00 0.00 WT1 H ATOM 18564 H2 TIP3 6242 86.369 24.389 6.062 1.00 0.00 WT1 H ATOM 18565 OH2 TIP3 6243 26.656 1.225 -7.737 1.00 0.00 WT1 O ATOM 18566 H1 TIP3 6243 26.743 1.777 -6.960 1.00 0.00 WT1 H ATOM 18567 H2 TIP3 6243 26.309 0.397 -7.406 1.00 0.00 WT1 H ATOM 18568 OH2 TIP3 6245 79.058 35.559 48.164 1.00 0.00 WT1 O ATOM 18569 H1 TIP3 6245 79.972 35.752 48.375 1.00 0.00 WT1 H ATOM 18570 H2 TIP3 6245 78.683 36.407 47.927 1.00 0.00 WT1 H ATOM 18571 OH2 TIP3 6246 33.439 12.028 -15.340 1.00 0.00 WT1 O ATOM 18572 H1 TIP3 6246 33.701 12.109 -16.257 1.00 0.00 WT1 H ATOM 18573 H2 TIP3 6246 34.259 11.882 -14.869 1.00 0.00 WT1 H ATOM 18574 OH2 TIP3 6248 53.913 80.351 22.956 1.00 0.00 WT1 O ATOM 18575 H1 TIP3 6248 53.708 80.361 23.891 1.00 0.00 WT1 H ATOM 18576 H2 TIP3 6248 53.772 81.253 22.669 1.00 0.00 WT1 H ATOM 18577 OH2 TIP3 6249 61.822 94.769 -11.902 1.00 0.00 WT1 O ATOM 18578 H1 TIP3 6249 61.818 94.601 -12.845 1.00 0.00 WT1 H ATOM 18579 H2 TIP3 6249 61.181 94.153 -11.547 1.00 0.00 WT1 H ATOM 18580 OH2 TIP3 6250 51.536 23.716 24.322 1.00 0.00 WT1 O ATOM 18581 H1 TIP3 6250 52.051 23.928 25.101 1.00 0.00 WT1 H ATOM 18582 H2 TIP3 6250 51.778 24.387 23.684 1.00 0.00 WT1 H ATOM 18583 OH2 TIP3 6251 20.318 69.097 37.361 1.00 0.00 WT1 O ATOM 18584 H1 TIP3 6251 20.591 69.273 36.461 1.00 0.00 WT1 H ATOM 18585 H2 TIP3 6251 20.735 69.786 37.878 1.00 0.00 WT1 H ATOM 18586 OH2 TIP3 6252 81.636 28.004 -6.847 1.00 0.00 WT1 O ATOM 18587 H1 TIP3 6252 81.095 27.880 -7.627 1.00 0.00 WT1 H ATOM 18588 H2 TIP3 6252 82.150 27.199 -6.782 1.00 0.00 WT1 H ATOM 18589 OH2 TIP3 6253 34.541 92.359 34.489 1.00 0.00 WT1 O ATOM 18590 H1 TIP3 6253 34.579 92.098 35.409 1.00 0.00 WT1 H ATOM 18591 H2 TIP3 6253 35.331 91.983 34.101 1.00 0.00 WT1 H ATOM 18592 OH2 TIP3 6254 58.233 83.141 37.192 1.00 0.00 WT1 O ATOM 18593 H1 TIP3 6254 57.353 82.814 37.010 1.00 0.00 WT1 H ATOM 18594 H2 TIP3 6254 58.773 82.353 37.262 1.00 0.00 WT1 H ATOM 18595 OH2 TIP3 6255 72.599 77.379 39.181 1.00 0.00 WT1 O ATOM 18596 H1 TIP3 6255 73.352 77.001 38.726 1.00 0.00 WT1 H ATOM 18597 H2 TIP3 6255 71.900 76.736 39.063 1.00 0.00 WT1 H ATOM 18598 OH2 TIP3 6256 38.088 57.965 59.059 1.00 0.00 WT1 O ATOM 18599 H1 TIP3 6256 37.912 58.536 59.806 1.00 0.00 WT1 H ATOM 18600 H2 TIP3 6256 38.689 57.302 59.400 1.00 0.00 WT1 H ATOM 18601 OH2 TIP3 6257 46.440 89.861 -1.480 1.00 0.00 WT1 O ATOM 18602 H1 TIP3 6257 46.923 90.224 -0.737 1.00 0.00 WT1 H ATOM 18603 H2 TIP3 6257 46.990 90.053 -2.240 1.00 0.00 WT1 H ATOM 18604 OH2 TIP3 6258 48.940 27.434 36.837 1.00 0.00 WT1 O ATOM 18605 H1 TIP3 6258 48.287 27.262 36.159 1.00 0.00 WT1 H ATOM 18606 H2 TIP3 6258 48.465 27.326 37.661 1.00 0.00 WT1 H ATOM 18607 OH2 TIP3 6260 42.585 44.501 -2.356 1.00 0.00 WT1 O ATOM 18608 H1 TIP3 6260 42.955 44.078 -1.581 1.00 0.00 WT1 H ATOM 18609 H2 TIP3 6260 43.191 44.278 -3.063 1.00 0.00 WT1 H ATOM 18610 OH2 TIP3 6261 53.357 46.272 54.460 1.00 0.00 WT1 O ATOM 18611 H1 TIP3 6261 53.226 47.213 54.584 1.00 0.00 WT1 H ATOM 18612 H2 TIP3 6261 52.686 46.019 53.825 1.00 0.00 WT1 H ATOM 18613 OH2 TIP3 6262 58.111 19.929 8.129 1.00 0.00 WT1 O ATOM 18614 H1 TIP3 6262 58.648 19.203 7.811 1.00 0.00 WT1 H ATOM 18615 H2 TIP3 6262 57.580 19.546 8.828 1.00 0.00 WT1 H ATOM 18616 OH2 TIP3 6263 35.205 8.961 53.566 1.00 0.00 WT1 O ATOM 18617 H1 TIP3 6263 36.131 9.204 53.568 1.00 0.00 WT1 H ATOM 18618 H2 TIP3 6263 34.779 9.630 54.102 1.00 0.00 WT1 H ATOM 18619 OH2 TIP3 6264 83.820 23.827 -14.633 1.00 0.00 WT1 O ATOM 18620 H1 TIP3 6264 83.334 23.979 -15.443 1.00 0.00 WT1 H ATOM 18621 H2 TIP3 6264 84.131 22.924 -14.706 1.00 0.00 WT1 H ATOM 18622 OH2 TIP3 6266 38.746 8.180 46.044 1.00 0.00 WT1 O ATOM 18623 H1 TIP3 6266 38.773 8.803 46.770 1.00 0.00 WT1 H ATOM 18624 H2 TIP3 6266 38.628 8.725 45.265 1.00 0.00 WT1 H ATOM 18625 OH2 TIP3 6267 65.360 9.417 -16.838 1.00 0.00 WT1 O ATOM 18626 H1 TIP3 6267 65.892 8.668 -17.105 1.00 0.00 WT1 H ATOM 18627 H2 TIP3 6267 65.852 9.818 -16.122 1.00 0.00 WT1 H ATOM 18628 OH2 TIP3 6268 24.276 7.165 -12.998 1.00 0.00 WT1 O ATOM 18629 H1 TIP3 6268 23.453 6.736 -13.233 1.00 0.00 WT1 H ATOM 18630 H2 TIP3 6268 24.376 6.995 -12.061 1.00 0.00 WT1 H ATOM 18631 OH2 TIP3 6269 27.190 2.769 9.043 1.00 0.00 WT1 O ATOM 18632 H1 TIP3 6269 26.695 2.386 8.318 1.00 0.00 WT1 H ATOM 18633 H2 TIP3 6269 27.875 2.127 9.231 1.00 0.00 WT1 H ATOM 18634 OH2 TIP3 6270 56.112 93.146 27.581 1.00 0.00 WT1 O ATOM 18635 H1 TIP3 6270 56.397 92.244 27.435 1.00 0.00 WT1 H ATOM 18636 H2 TIP3 6270 56.836 93.682 27.256 1.00 0.00 WT1 H ATOM 18637 OH2 TIP3 6271 60.499 14.240 -15.910 1.00 0.00 WT1 O ATOM 18638 H1 TIP3 6271 59.833 14.613 -16.488 1.00 0.00 WT1 H ATOM 18639 H2 TIP3 6271 61.199 13.960 -16.500 1.00 0.00 WT1 H ATOM 18640 OH2 TIP3 6272 32.286 2.234 -5.872 1.00 0.00 WT1 O ATOM 18641 H1 TIP3 6272 31.888 2.498 -6.702 1.00 0.00 WT1 H ATOM 18642 H2 TIP3 6272 32.098 1.298 -5.803 1.00 0.00 WT1 H ATOM 18643 OH2 TIP3 6273 70.606 48.088 24.775 1.00 0.00 WT1 O ATOM 18644 H1 TIP3 6273 70.255 48.598 25.505 1.00 0.00 WT1 H ATOM 18645 H2 TIP3 6273 70.301 48.548 23.993 1.00 0.00 WT1 H ATOM 18646 OH2 TIP3 6274 76.616 17.165 51.311 1.00 0.00 WT1 O ATOM 18647 H1 TIP3 6274 75.921 16.520 51.437 1.00 0.00 WT1 H ATOM 18648 H2 TIP3 6274 77.305 16.688 50.849 1.00 0.00 WT1 H ATOM 18649 OH2 TIP3 6275 38.237 82.537 3.949 1.00 0.00 WT1 O ATOM 18650 H1 TIP3 6275 38.780 82.081 3.306 1.00 0.00 WT1 H ATOM 18651 H2 TIP3 6275 37.756 83.188 3.439 1.00 0.00 WT1 H ATOM 18652 OH2 TIP3 6276 72.790 68.854 60.204 1.00 0.00 WT1 O ATOM 18653 H1 TIP3 6276 72.168 68.356 59.674 1.00 0.00 WT1 H ATOM 18654 H2 TIP3 6276 73.326 68.189 60.635 1.00 0.00 WT1 H ATOM 18655 OH2 TIP3 6278 53.552 1.558 30.831 1.00 0.00 WT1 O ATOM 18656 H1 TIP3 6278 54.002 0.834 30.397 1.00 0.00 WT1 H ATOM 18657 H2 TIP3 6278 53.161 2.061 30.117 1.00 0.00 WT1 H ATOM 18658 OH2 TIP3 6279 25.000 42.872 -1.464 1.00 0.00 WT1 O ATOM 18659 H1 TIP3 6279 24.732 42.174 -0.865 1.00 0.00 WT1 H ATOM 18660 H2 TIP3 6279 25.240 42.416 -2.270 1.00 0.00 WT1 H ATOM 18661 OH2 TIP3 6280 57.170 88.943 32.386 1.00 0.00 WT1 O ATOM 18662 H1 TIP3 6280 56.276 88.754 32.671 1.00 0.00 WT1 H ATOM 18663 H2 TIP3 6280 57.222 89.899 32.377 1.00 0.00 WT1 H ATOM 18664 OH2 TIP3 6281 23.066 28.005 -19.278 1.00 0.00 WT1 O ATOM 18665 H1 TIP3 6281 23.717 27.521 -18.769 1.00 0.00 WT1 H ATOM 18666 H2 TIP3 6281 22.622 28.558 -18.634 1.00 0.00 WT1 H ATOM 18667 OH2 TIP3 6282 65.113 29.750 62.446 1.00 0.00 WT1 O ATOM 18668 H1 TIP3 6282 65.949 29.467 62.074 1.00 0.00 WT1 H ATOM 18669 H2 TIP3 6282 65.356 30.322 63.174 1.00 0.00 WT1 H ATOM 18670 OH2 TIP3 6283 43.885 60.008 -13.249 1.00 0.00 WT1 O ATOM 18671 H1 TIP3 6283 42.983 60.077 -13.562 1.00 0.00 WT1 H ATOM 18672 H2 TIP3 6283 43.802 59.713 -12.342 1.00 0.00 WT1 H ATOM 18673 OH2 TIP3 6284 76.084 74.101 52.265 1.00 0.00 WT1 O ATOM 18674 H1 TIP3 6284 76.100 74.487 51.389 1.00 0.00 WT1 H ATOM 18675 H2 TIP3 6284 75.379 73.454 52.229 1.00 0.00 WT1 H ATOM 18676 OH2 TIP3 6285 67.405 11.337 13.262 1.00 0.00 WT1 O ATOM 18677 H1 TIP3 6285 67.910 11.834 12.619 1.00 0.00 WT1 H ATOM 18678 H2 TIP3 6285 66.885 11.997 13.721 1.00 0.00 WT1 H ATOM 18679 OH2 TIP3 6286 53.872 85.729 44.491 1.00 0.00 WT1 O ATOM 18680 H1 TIP3 6286 53.308 86.502 44.501 1.00 0.00 WT1 H ATOM 18681 H2 TIP3 6286 53.852 85.429 43.582 1.00 0.00 WT1 H ATOM 18682 OH2 TIP3 6287 22.050 19.229 5.446 1.00 0.00 WT1 O ATOM 18683 H1 TIP3 6287 22.334 18.339 5.239 1.00 0.00 WT1 H ATOM 18684 H2 TIP3 6287 22.828 19.769 5.300 1.00 0.00 WT1 H ATOM 18685 OH2 TIP3 6288 67.554 3.612 27.888 1.00 0.00 WT1 O ATOM 18686 H1 TIP3 6288 66.987 3.104 28.468 1.00 0.00 WT1 H ATOM 18687 H2 TIP3 6288 68.390 3.147 27.902 1.00 0.00 WT1 H ATOM 18688 OH2 TIP3 6289 25.856 22.384 -12.782 1.00 0.00 WT1 O ATOM 18689 H1 TIP3 6289 25.336 22.449 -11.981 1.00 0.00 WT1 H ATOM 18690 H2 TIP3 6289 26.269 23.243 -12.870 1.00 0.00 WT1 H ATOM 18691 OH2 TIP3 6290 54.267 27.149 -6.939 1.00 0.00 WT1 O ATOM 18692 H1 TIP3 6290 54.671 28.007 -7.064 1.00 0.00 WT1 H ATOM 18693 H2 TIP3 6290 54.850 26.694 -6.332 1.00 0.00 WT1 H ATOM 18694 OH2 TIP3 6291 78.989 17.900 38.042 1.00 0.00 WT1 O ATOM 18695 H1 TIP3 6291 79.520 17.121 37.880 1.00 0.00 WT1 H ATOM 18696 H2 TIP3 6291 79.616 18.564 38.326 1.00 0.00 WT1 H ATOM 18697 OH2 TIP3 6292 56.712 18.036 -1.928 1.00 0.00 WT1 O ATOM 18698 H1 TIP3 6292 56.247 18.448 -1.199 1.00 0.00 WT1 H ATOM 18699 H2 TIP3 6292 57.567 18.466 -1.940 1.00 0.00 WT1 H ATOM 18700 OH2 TIP3 6293 34.424 84.442 -10.658 1.00 0.00 WT1 O ATOM 18701 H1 TIP3 6293 34.634 83.875 -11.400 1.00 0.00 WT1 H ATOM 18702 H2 TIP3 6293 34.373 85.321 -11.035 1.00 0.00 WT1 H ATOM 18703 OH2 TIP3 6294 90.293 66.406 -13.631 1.00 0.00 WT1 O ATOM 18704 H1 TIP3 6294 89.735 66.704 -12.912 1.00 0.00 WT1 H ATOM 18705 H2 TIP3 6294 91.047 66.004 -13.199 1.00 0.00 WT1 H ATOM 18706 OH2 TIP3 6295 78.125 95.529 50.548 1.00 0.00 WT1 O ATOM 18707 H1 TIP3 6295 78.743 94.906 50.165 1.00 0.00 WT1 H ATOM 18708 H2 TIP3 6295 78.393 95.600 51.464 1.00 0.00 WT1 H ATOM 18709 OH2 TIP3 6296 51.123 14.173 34.775 1.00 0.00 WT1 O ATOM 18710 H1 TIP3 6296 50.183 14.287 34.637 1.00 0.00 WT1 H ATOM 18711 H2 TIP3 6296 51.185 13.529 35.481 1.00 0.00 WT1 H ATOM 18712 OH2 TIP3 6297 65.890 31.944 2.068 1.00 0.00 WT1 O ATOM 18713 H1 TIP3 6297 65.409 31.697 2.857 1.00 0.00 WT1 H ATOM 18714 H2 TIP3 6297 66.636 32.450 2.390 1.00 0.00 WT1 H ATOM 18715 OH2 TIP3 6298 77.350 19.357 -5.596 1.00 0.00 WT1 O ATOM 18716 H1 TIP3 6298 77.086 18.556 -5.143 1.00 0.00 WT1 H ATOM 18717 H2 TIP3 6298 77.639 19.944 -4.897 1.00 0.00 WT1 H ATOM 18718 OH2 TIP3 6299 44.652 92.929 37.387 1.00 0.00 WT1 O ATOM 18719 H1 TIP3 6299 43.708 93.052 37.485 1.00 0.00 WT1 H ATOM 18720 H2 TIP3 6299 44.745 92.430 36.576 1.00 0.00 WT1 H ATOM 18721 OH2 TIP3 6300 75.971 32.874 -12.737 1.00 0.00 WT1 O ATOM 18722 H1 TIP3 6300 76.712 32.444 -13.164 1.00 0.00 WT1 H ATOM 18723 H2 TIP3 6300 76.084 33.803 -12.938 1.00 0.00 WT1 H ATOM 18724 OH2 TIP3 6301 75.902 93.202 22.914 1.00 0.00 WT1 O ATOM 18725 H1 TIP3 6301 75.595 93.037 22.022 1.00 0.00 WT1 H ATOM 18726 H2 TIP3 6301 76.854 93.113 22.860 1.00 0.00 WT1 H ATOM 18727 OH2 TIP3 6302 85.721 14.078 6.941 1.00 0.00 WT1 O ATOM 18728 H1 TIP3 6302 85.917 14.930 7.331 1.00 0.00 WT1 H ATOM 18729 H2 TIP3 6302 85.801 13.458 7.666 1.00 0.00 WT1 H ATOM 18730 OH2 TIP3 6303 73.699 6.510 53.717 1.00 0.00 WT1 O ATOM 18731 H1 TIP3 6303 74.039 6.473 52.823 1.00 0.00 WT1 H ATOM 18732 H2 TIP3 6303 72.825 6.889 53.626 1.00 0.00 WT1 H ATOM 18733 OH2 TIP3 6304 36.438 61.308 20.726 1.00 0.00 WT1 O ATOM 18734 H1 TIP3 6304 36.646 61.955 20.053 1.00 0.00 WT1 H ATOM 18735 H2 TIP3 6304 37.245 60.804 20.833 1.00 0.00 WT1 H ATOM 18736 OH2 TIP3 6305 74.706 10.736 2.965 1.00 0.00 WT1 O ATOM 18737 H1 TIP3 6305 74.265 10.554 3.794 1.00 0.00 WT1 H ATOM 18738 H2 TIP3 6305 74.246 10.193 2.324 1.00 0.00 WT1 H ATOM 18739 OH2 TIP3 6306 54.481 30.853 42.804 1.00 0.00 WT1 O ATOM 18740 H1 TIP3 6306 53.799 31.144 42.199 1.00 0.00 WT1 H ATOM 18741 H2 TIP3 6306 54.426 29.898 42.786 1.00 0.00 WT1 H ATOM 18742 OH2 TIP3 6307 61.224 76.668 29.033 1.00 0.00 WT1 O ATOM 18743 H1 TIP3 6307 61.734 76.843 28.241 1.00 0.00 WT1 H ATOM 18744 H2 TIP3 6307 60.663 75.930 28.799 1.00 0.00 WT1 H ATOM 18745 OH2 TIP3 6308 40.470 64.292 -4.912 1.00 0.00 WT1 O ATOM 18746 H1 TIP3 6308 41.358 64.200 -4.565 1.00 0.00 WT1 H ATOM 18747 H2 TIP3 6308 40.110 65.050 -4.452 1.00 0.00 WT1 H ATOM 18748 OH2 TIP3 6309 49.364 15.988 6.240 1.00 0.00 WT1 O ATOM 18749 H1 TIP3 6309 48.643 16.602 6.103 1.00 0.00 WT1 H ATOM 18750 H2 TIP3 6309 48.998 15.133 6.016 1.00 0.00 WT1 H ATOM 18751 OH2 TIP3 6310 75.946 78.505 42.467 1.00 0.00 WT1 O ATOM 18752 H1 TIP3 6310 76.480 78.726 41.704 1.00 0.00 WT1 H ATOM 18753 H2 TIP3 6310 75.064 78.382 42.114 1.00 0.00 WT1 H ATOM 18754 OH2 TIP3 6311 82.237 87.038 16.193 1.00 0.00 WT1 O ATOM 18755 H1 TIP3 6311 81.448 86.586 15.895 1.00 0.00 WT1 H ATOM 18756 H2 TIP3 6311 81.954 87.536 16.960 1.00 0.00 WT1 H ATOM 18757 OH2 TIP3 6312 62.744 22.592 -1.479 1.00 0.00 WT1 O ATOM 18758 H1 TIP3 6312 63.056 22.113 -0.712 1.00 0.00 WT1 H ATOM 18759 H2 TIP3 6312 62.756 21.946 -2.186 1.00 0.00 WT1 H ATOM 18760 OH2 TIP3 6313 38.865 23.019 1.434 1.00 0.00 WT1 O ATOM 18761 H1 TIP3 6313 39.009 23.854 1.879 1.00 0.00 WT1 H ATOM 18762 H2 TIP3 6313 38.694 22.397 2.142 1.00 0.00 WT1 H ATOM 18763 OH2 TIP3 6315 64.204 43.530 -13.979 1.00 0.00 WT1 O ATOM 18764 H1 TIP3 6315 64.647 42.926 -14.575 1.00 0.00 WT1 H ATOM 18765 H2 TIP3 6315 64.374 43.173 -13.107 1.00 0.00 WT1 H ATOM 18766 OH2 TIP3 6316 76.317 64.490 28.214 1.00 0.00 WT1 O ATOM 18767 H1 TIP3 6316 76.330 65.444 28.284 1.00 0.00 WT1 H ATOM 18768 H2 TIP3 6316 75.844 64.199 28.994 1.00 0.00 WT1 H ATOM 18769 OH2 TIP3 6317 42.335 26.783 -7.985 1.00 0.00 WT1 O ATOM 18770 H1 TIP3 6317 41.544 27.077 -8.437 1.00 0.00 WT1 H ATOM 18771 H2 TIP3 6317 42.268 27.166 -7.110 1.00 0.00 WT1 H ATOM 18772 OH2 TIP3 6318 69.942 36.833 36.094 1.00 0.00 WT1 O ATOM 18773 H1 TIP3 6318 69.450 37.652 36.047 1.00 0.00 WT1 H ATOM 18774 H2 TIP3 6318 69.598 36.305 35.373 1.00 0.00 WT1 H ATOM 18775 OH2 TIP3 6319 48.110 37.357 62.198 1.00 0.00 WT1 O ATOM 18776 H1 TIP3 6319 48.445 37.745 61.390 1.00 0.00 WT1 H ATOM 18777 H2 TIP3 6319 48.891 37.187 62.725 1.00 0.00 WT1 H ATOM 18778 OH2 TIP3 6320 60.254 51.769 59.223 1.00 0.00 WT1 O ATOM 18779 H1 TIP3 6320 59.384 51.389 59.102 1.00 0.00 WT1 H ATOM 18780 H2 TIP3 6320 60.297 51.978 60.156 1.00 0.00 WT1 H ATOM 18781 OH2 TIP3 6321 50.924 38.710 -2.349 1.00 0.00 WT1 O ATOM 18782 H1 TIP3 6321 50.639 38.226 -1.574 1.00 0.00 WT1 H ATOM 18783 H2 TIP3 6321 50.179 39.268 -2.571 1.00 0.00 WT1 H ATOM 18784 OH2 TIP3 6323 25.689 9.173 62.311 1.00 0.00 WT1 O ATOM 18785 H1 TIP3 6323 25.144 8.758 61.642 1.00 0.00 WT1 H ATOM 18786 H2 TIP3 6323 26.002 8.447 62.850 1.00 0.00 WT1 H ATOM 18787 OH2 TIP3 6324 48.567 28.450 56.947 1.00 0.00 WT1 O ATOM 18788 H1 TIP3 6324 49.334 29.020 56.992 1.00 0.00 WT1 H ATOM 18789 H2 TIP3 6324 48.734 27.881 56.195 1.00 0.00 WT1 H ATOM 18790 OH2 TIP3 6325 40.070 6.195 -5.053 1.00 0.00 WT1 O ATOM 18791 H1 TIP3 6325 39.114 6.237 -5.070 1.00 0.00 WT1 H ATOM 18792 H2 TIP3 6325 40.334 6.953 -4.531 1.00 0.00 WT1 H ATOM 18793 OH2 TIP3 6326 80.901 53.195 48.716 1.00 0.00 WT1 O ATOM 18794 H1 TIP3 6326 81.198 54.071 48.962 1.00 0.00 WT1 H ATOM 18795 H2 TIP3 6326 80.590 53.292 47.816 1.00 0.00 WT1 H ATOM 18796 OH2 TIP3 6327 72.545 24.388 13.483 1.00 0.00 WT1 O ATOM 18797 H1 TIP3 6327 73.152 24.059 14.147 1.00 0.00 WT1 H ATOM 18798 H2 TIP3 6327 71.706 24.458 13.938 1.00 0.00 WT1 H ATOM 18799 OH2 TIP3 6328 65.356 13.965 64.328 1.00 0.00 WT1 O ATOM 18800 H1 TIP3 6328 66.136 13.747 63.818 1.00 0.00 WT1 H ATOM 18801 H2 TIP3 6328 64.814 14.480 63.730 1.00 0.00 WT1 H ATOM 18802 OH2 TIP3 6329 36.424 89.211 49.183 1.00 0.00 WT1 O ATOM 18803 H1 TIP3 6329 35.935 89.348 48.371 1.00 0.00 WT1 H ATOM 18804 H2 TIP3 6329 37.153 89.829 49.132 1.00 0.00 WT1 H ATOM 18805 OH2 TIP3 6330 75.641 48.683 36.041 1.00 0.00 WT1 O ATOM 18806 H1 TIP3 6330 74.960 49.340 35.895 1.00 0.00 WT1 H ATOM 18807 H2 TIP3 6330 75.205 47.846 35.886 1.00 0.00 WT1 H ATOM 18808 OH2 TIP3 6331 68.471 3.922 1.942 1.00 0.00 WT1 O ATOM 18809 H1 TIP3 6331 68.995 3.460 1.289 1.00 0.00 WT1 H ATOM 18810 H2 TIP3 6331 68.770 4.830 1.891 1.00 0.00 WT1 H ATOM 18811 OH2 TIP3 6332 68.100 90.502 -17.470 1.00 0.00 WT1 O ATOM 18812 H1 TIP3 6332 68.838 91.110 -17.426 1.00 0.00 WT1 H ATOM 18813 H2 TIP3 6332 67.886 90.451 -18.402 1.00 0.00 WT1 H ATOM 18814 OH2 TIP3 6333 60.642 18.118 -15.599 1.00 0.00 WT1 O ATOM 18815 H1 TIP3 6333 60.953 17.457 -14.980 1.00 0.00 WT1 H ATOM 18816 H2 TIP3 6333 59.687 18.067 -15.546 1.00 0.00 WT1 H ATOM 18817 OH2 TIP3 6334 46.231 20.942 35.615 1.00 0.00 WT1 O ATOM 18818 H1 TIP3 6334 46.384 21.675 36.211 1.00 0.00 WT1 H ATOM 18819 H2 TIP3 6334 47.107 20.615 35.407 1.00 0.00 WT1 H ATOM 18820 OH2 TIP3 6335 47.186 44.243 30.661 1.00 0.00 WT1 O ATOM 18821 H1 TIP3 6335 46.870 44.408 29.773 1.00 0.00 WT1 H ATOM 18822 H2 TIP3 6335 47.747 43.472 30.577 1.00 0.00 WT1 H ATOM 18823 OH2 TIP3 6336 54.736 91.011 -18.900 1.00 0.00 WT1 O ATOM 18824 H1 TIP3 6336 55.368 91.145 -19.606 1.00 0.00 WT1 H ATOM 18825 H2 TIP3 6336 54.499 90.085 -18.962 1.00 0.00 WT1 H ATOM 18826 OH2 TIP3 6337 72.786 96.036 45.077 1.00 0.00 WT1 O ATOM 18827 H1 TIP3 6337 72.922 96.978 45.180 1.00 0.00 WT1 H ATOM 18828 H2 TIP3 6337 72.225 95.793 45.813 1.00 0.00 WT1 H ATOM 18829 OH2 TIP3 6338 25.446 54.253 55.009 1.00 0.00 WT1 O ATOM 18830 H1 TIP3 6338 26.133 54.755 55.449 1.00 0.00 WT1 H ATOM 18831 H2 TIP3 6338 24.758 54.894 54.830 1.00 0.00 WT1 H ATOM 18832 OH2 TIP3 6339 48.355 28.831 -14.033 1.00 0.00 WT1 O ATOM 18833 H1 TIP3 6339 47.880 28.012 -14.179 1.00 0.00 WT1 H ATOM 18834 H2 TIP3 6339 49.077 28.590 -13.454 1.00 0.00 WT1 H ATOM 18835 OH2 TIP3 6340 78.798 73.562 4.692 1.00 0.00 WT1 O ATOM 18836 H1 TIP3 6340 78.875 73.748 5.627 1.00 0.00 WT1 H ATOM 18837 H2 TIP3 6340 78.431 72.679 4.652 1.00 0.00 WT1 H ATOM 18838 OH2 TIP3 6341 27.183 23.315 61.472 1.00 0.00 WT1 O ATOM 18839 H1 TIP3 6341 26.843 23.851 60.755 1.00 0.00 WT1 H ATOM 18840 H2 TIP3 6341 28.091 23.600 61.574 1.00 0.00 WT1 H ATOM 18841 OH2 TIP3 6342 56.028 28.026 7.594 1.00 0.00 WT1 O ATOM 18842 H1 TIP3 6342 55.949 27.902 8.540 1.00 0.00 WT1 H ATOM 18843 H2 TIP3 6342 56.971 28.029 7.431 1.00 0.00 WT1 H ATOM 18844 OH2 TIP3 6344 83.214 45.466 10.765 1.00 0.00 WT1 O ATOM 18845 H1 TIP3 6344 83.793 46.043 10.268 1.00 0.00 WT1 H ATOM 18846 H2 TIP3 6344 82.954 44.790 10.139 1.00 0.00 WT1 H ATOM 18847 OH2 TIP3 6345 74.648 46.317 30.267 1.00 0.00 WT1 O ATOM 18848 H1 TIP3 6345 74.579 45.397 30.521 1.00 0.00 WT1 H ATOM 18849 H2 TIP3 6345 73.920 46.745 30.716 1.00 0.00 WT1 H ATOM 18850 OH2 TIP3 6346 76.729 37.044 13.326 1.00 0.00 WT1 O ATOM 18851 H1 TIP3 6346 76.437 37.000 12.415 1.00 0.00 WT1 H ATOM 18852 H2 TIP3 6346 77.284 37.822 13.363 1.00 0.00 WT1 H ATOM 18853 OH2 TIP3 6347 89.205 31.236 59.314 1.00 0.00 WT1 O ATOM 18854 H1 TIP3 6347 88.547 31.427 58.646 1.00 0.00 WT1 H ATOM 18855 H2 TIP3 6347 89.012 30.341 59.593 1.00 0.00 WT1 H ATOM 18856 OH2 TIP3 6348 69.226 69.543 26.147 1.00 0.00 WT1 O ATOM 18857 H1 TIP3 6348 69.815 70.130 26.621 1.00 0.00 WT1 H ATOM 18858 H2 TIP3 6348 68.408 70.035 26.070 1.00 0.00 WT1 H ATOM 18859 OH2 TIP3 6349 86.061 43.187 24.268 1.00 0.00 WT1 O ATOM 18860 H1 TIP3 6349 86.308 43.261 23.346 1.00 0.00 WT1 H ATOM 18861 H2 TIP3 6349 86.750 43.655 24.740 1.00 0.00 WT1 H ATOM 18862 OH2 TIP3 6351 81.404 37.093 44.798 1.00 0.00 WT1 O ATOM 18863 H1 TIP3 6351 81.787 37.180 43.925 1.00 0.00 WT1 H ATOM 18864 H2 TIP3 6351 81.952 36.442 45.236 1.00 0.00 WT1 H ATOM 18865 OH2 TIP3 6352 46.389 2.032 42.574 1.00 0.00 WT1 O ATOM 18866 H1 TIP3 6352 46.769 1.619 43.349 1.00 0.00 WT1 H ATOM 18867 H2 TIP3 6352 45.463 2.139 42.788 1.00 0.00 WT1 H ATOM 18868 OH2 TIP3 6353 44.191 69.833 -14.088 1.00 0.00 WT1 O ATOM 18869 H1 TIP3 6353 43.756 69.173 -13.548 1.00 0.00 WT1 H ATOM 18870 H2 TIP3 6353 44.474 70.503 -13.466 1.00 0.00 WT1 H ATOM 18871 OH2 TIP3 6354 38.578 38.681 9.561 1.00 0.00 WT1 O ATOM 18872 H1 TIP3 6354 39.309 38.067 9.622 1.00 0.00 WT1 H ATOM 18873 H2 TIP3 6354 38.915 39.495 9.937 1.00 0.00 WT1 H ATOM 18874 OH2 TIP3 6356 73.938 13.275 0.883 1.00 0.00 WT1 O ATOM 18875 H1 TIP3 6356 73.248 12.698 0.554 1.00 0.00 WT1 H ATOM 18876 H2 TIP3 6356 74.748 12.786 0.739 1.00 0.00 WT1 H ATOM 18877 OH2 TIP3 6357 74.687 92.040 37.997 1.00 0.00 WT1 O ATOM 18878 H1 TIP3 6357 75.124 92.882 37.871 1.00 0.00 WT1 H ATOM 18879 H2 TIP3 6357 74.390 92.058 38.906 1.00 0.00 WT1 H ATOM 18880 OH2 TIP3 6358 75.197 3.627 -2.490 1.00 0.00 WT1 O ATOM 18881 H1 TIP3 6358 76.007 3.896 -2.057 1.00 0.00 WT1 H ATOM 18882 H2 TIP3 6358 74.923 4.399 -2.985 1.00 0.00 WT1 H ATOM 18883 OH2 TIP3 6359 81.854 33.351 25.514 1.00 0.00 WT1 O ATOM 18884 H1 TIP3 6359 81.234 34.062 25.351 1.00 0.00 WT1 H ATOM 18885 H2 TIP3 6359 82.702 33.707 25.252 1.00 0.00 WT1 H ATOM 18886 OH2 TIP3 6360 79.461 36.125 -6.142 1.00 0.00 WT1 O ATOM 18887 H1 TIP3 6360 79.115 35.232 -6.165 1.00 0.00 WT1 H ATOM 18888 H2 TIP3 6360 80.011 36.189 -6.923 1.00 0.00 WT1 H ATOM 18889 OH2 TIP3 6362 68.521 96.326 34.205 1.00 0.00 WT1 O ATOM 18890 H1 TIP3 6362 69.236 95.691 34.242 1.00 0.00 WT1 H ATOM 18891 H2 TIP3 6362 67.993 96.050 33.456 1.00 0.00 WT1 H ATOM 18892 OH2 TIP3 6363 61.098 57.735 38.388 1.00 0.00 WT1 O ATOM 18893 H1 TIP3 6363 60.955 58.519 37.856 1.00 0.00 WT1 H ATOM 18894 H2 TIP3 6363 60.305 57.214 38.266 1.00 0.00 WT1 H ATOM 18895 OH2 TIP3 6364 33.833 89.447 -17.790 1.00 0.00 WT1 O ATOM 18896 H1 TIP3 6364 33.815 89.893 -16.943 1.00 0.00 WT1 H ATOM 18897 H2 TIP3 6364 34.708 89.622 -18.135 1.00 0.00 WT1 H ATOM 18898 OH2 TIP3 6365 69.926 79.454 51.061 1.00 0.00 WT1 O ATOM 18899 H1 TIP3 6365 69.199 78.854 51.224 1.00 0.00 WT1 H ATOM 18900 H2 TIP3 6365 69.919 79.589 50.113 1.00 0.00 WT1 H ATOM 18901 OH2 TIP3 6366 86.004 72.402 24.976 1.00 0.00 WT1 O ATOM 18902 H1 TIP3 6366 86.381 72.103 24.148 1.00 0.00 WT1 H ATOM 18903 H2 TIP3 6366 86.393 71.830 25.637 1.00 0.00 WT1 H ATOM 18904 OH2 TIP3 6367 39.964 49.889 -7.134 1.00 0.00 WT1 O ATOM 18905 H1 TIP3 6367 39.450 50.660 -6.896 1.00 0.00 WT1 H ATOM 18906 H2 TIP3 6367 39.377 49.150 -6.974 1.00 0.00 WT1 H ATOM 18907 OH2 TIP3 6368 40.523 81.507 -6.350 1.00 0.00 WT1 O ATOM 18908 H1 TIP3 6368 39.978 80.934 -6.891 1.00 0.00 WT1 H ATOM 18909 H2 TIP3 6368 40.079 81.528 -5.502 1.00 0.00 WT1 H ATOM 18910 OH2 TIP3 6369 55.474 19.424 2.786 1.00 0.00 WT1 O ATOM 18911 H1 TIP3 6369 56.059 19.396 3.543 1.00 0.00 WT1 H ATOM 18912 H2 TIP3 6369 54.626 19.681 3.146 1.00 0.00 WT1 H ATOM 18913 OH2 TIP3 6370 22.092 22.366 11.615 1.00 0.00 WT1 O ATOM 18914 H1 TIP3 6370 22.475 23.183 11.935 1.00 0.00 WT1 H ATOM 18915 H2 TIP3 6370 21.209 22.607 11.337 1.00 0.00 WT1 H ATOM 18916 OH2 TIP3 6371 40.656 88.617 41.454 1.00 0.00 WT1 O ATOM 18917 H1 TIP3 6371 41.199 87.835 41.357 1.00 0.00 WT1 H ATOM 18918 H2 TIP3 6371 40.854 89.143 40.679 1.00 0.00 WT1 H ATOM 18919 OH2 TIP3 6372 45.109 11.161 62.512 1.00 0.00 WT1 O ATOM 18920 H1 TIP3 6372 45.936 10.721 62.315 1.00 0.00 WT1 H ATOM 18921 H2 TIP3 6372 44.785 11.455 61.661 1.00 0.00 WT1 H ATOM 18922 OH2 TIP3 6373 25.965 31.955 -18.924 1.00 0.00 WT1 O ATOM 18923 H1 TIP3 6373 25.721 32.507 -19.667 1.00 0.00 WT1 H ATOM 18924 H2 TIP3 6373 26.828 31.611 -19.154 1.00 0.00 WT1 H ATOM 18925 OH2 TIP3 6374 66.041 39.705 3.953 1.00 0.00 WT1 O ATOM 18926 H1 TIP3 6374 66.729 39.328 4.500 1.00 0.00 WT1 H ATOM 18927 H2 TIP3 6374 65.225 39.381 4.336 1.00 0.00 WT1 H ATOM 18928 OH2 TIP3 6375 71.439 47.806 17.500 1.00 0.00 WT1 O ATOM 18929 H1 TIP3 6375 70.561 47.559 17.209 1.00 0.00 WT1 H ATOM 18930 H2 TIP3 6375 71.294 48.310 18.300 1.00 0.00 WT1 H ATOM 18931 OH2 TIP3 6377 44.501 15.545 57.427 1.00 0.00 WT1 O ATOM 18932 H1 TIP3 6377 44.448 16.262 56.795 1.00 0.00 WT1 H ATOM 18933 H2 TIP3 6377 44.041 14.819 57.006 1.00 0.00 WT1 H ATOM 18934 OH2 TIP3 6379 58.512 87.889 50.052 1.00 0.00 WT1 O ATOM 18935 H1 TIP3 6379 58.416 87.484 49.189 1.00 0.00 WT1 H ATOM 18936 H2 TIP3 6379 58.682 87.155 50.643 1.00 0.00 WT1 H ATOM 18937 OH2 TIP3 6380 86.229 23.788 64.303 1.00 0.00 WT1 O ATOM 18938 H1 TIP3 6380 86.254 24.021 65.232 1.00 0.00 WT1 H ATOM 18939 H2 TIP3 6380 86.247 24.628 63.845 1.00 0.00 WT1 H ATOM 18940 OH2 TIP3 6381 72.630 3.286 60.880 1.00 0.00 WT1 O ATOM 18941 H1 TIP3 6381 72.674 3.740 61.722 1.00 0.00 WT1 H ATOM 18942 H2 TIP3 6381 71.806 2.799 60.914 1.00 0.00 WT1 H ATOM 18943 OH2 TIP3 6382 64.546 34.209 49.558 1.00 0.00 WT1 O ATOM 18944 H1 TIP3 6382 63.810 34.107 50.161 1.00 0.00 WT1 H ATOM 18945 H2 TIP3 6382 64.921 33.332 49.486 1.00 0.00 WT1 H ATOM 18946 OH2 TIP3 6383 76.906 45.079 -2.835 1.00 0.00 WT1 O ATOM 18947 H1 TIP3 6383 76.486 44.493 -2.205 1.00 0.00 WT1 H ATOM 18948 H2 TIP3 6383 76.555 44.811 -3.684 1.00 0.00 WT1 H ATOM 18949 OH2 TIP3 6384 81.461 45.970 61.475 1.00 0.00 WT1 O ATOM 18950 H1 TIP3 6384 81.891 46.153 62.310 1.00 0.00 WT1 H ATOM 18951 H2 TIP3 6384 81.504 46.797 60.996 1.00 0.00 WT1 H ATOM 18952 OH2 TIP3 6385 25.957 24.919 37.180 1.00 0.00 WT1 O ATOM 18953 H1 TIP3 6385 25.785 24.549 38.046 1.00 0.00 WT1 H ATOM 18954 H2 TIP3 6385 25.509 25.765 37.188 1.00 0.00 WT1 H ATOM 18955 OH2 TIP3 6386 55.687 85.297 57.635 1.00 0.00 WT1 O ATOM 18956 H1 TIP3 6386 56.429 85.402 57.038 1.00 0.00 WT1 H ATOM 18957 H2 TIP3 6386 55.131 86.057 57.461 1.00 0.00 WT1 H ATOM 18958 OH2 TIP3 6387 59.143 26.401 -10.660 1.00 0.00 WT1 O ATOM 18959 H1 TIP3 6387 58.451 27.032 -10.463 1.00 0.00 WT1 H ATOM 18960 H2 TIP3 6387 58.772 25.845 -11.345 1.00 0.00 WT1 H ATOM 18961 OH2 TIP3 6388 90.559 2.232 -16.082 1.00 0.00 WT1 O ATOM 18962 H1 TIP3 6388 90.296 2.213 -15.162 1.00 0.00 WT1 H ATOM 18963 H2 TIP3 6388 90.331 3.113 -16.379 1.00 0.00 WT1 H ATOM 18964 OH2 TIP3 6389 87.949 48.852 24.550 1.00 0.00 WT1 O ATOM 18965 H1 TIP3 6389 88.032 48.275 23.790 1.00 0.00 WT1 H ATOM 18966 H2 TIP3 6389 88.363 49.671 24.276 1.00 0.00 WT1 H ATOM 18967 OH2 TIP3 6390 32.227 78.198 20.855 1.00 0.00 WT1 O ATOM 18968 H1 TIP3 6390 31.776 77.768 20.128 1.00 0.00 WT1 H ATOM 18969 H2 TIP3 6390 31.830 77.821 21.640 1.00 0.00 WT1 H ATOM 18970 OH2 TIP3 6391 75.901 25.851 10.212 1.00 0.00 WT1 O ATOM 18971 H1 TIP3 6391 76.034 24.909 10.102 1.00 0.00 WT1 H ATOM 18972 H2 TIP3 6391 74.991 25.933 10.497 1.00 0.00 WT1 H ATOM 18973 OH2 TIP3 6392 33.956 39.642 -1.166 1.00 0.00 WT1 O ATOM 18974 H1 TIP3 6392 34.464 40.391 -1.478 1.00 0.00 WT1 H ATOM 18975 H2 TIP3 6392 34.495 39.256 -0.476 1.00 0.00 WT1 H ATOM 18976 OH2 TIP3 6393 77.215 85.355 0.977 1.00 0.00 WT1 O ATOM 18977 H1 TIP3 6393 76.738 84.887 1.662 1.00 0.00 WT1 H ATOM 18978 H2 TIP3 6393 78.081 85.514 1.353 1.00 0.00 WT1 H ATOM 18979 OH2 TIP3 6394 72.538 54.409 -15.633 1.00 0.00 WT1 O ATOM 18980 H1 TIP3 6394 73.087 54.764 -16.332 1.00 0.00 WT1 H ATOM 18981 H2 TIP3 6394 72.931 54.742 -14.826 1.00 0.00 WT1 H ATOM 18982 OH2 TIP3 6395 40.846 32.234 -13.866 1.00 0.00 WT1 O ATOM 18983 H1 TIP3 6395 41.441 31.640 -13.409 1.00 0.00 WT1 H ATOM 18984 H2 TIP3 6395 41.022 33.093 -13.484 1.00 0.00 WT1 H ATOM 18985 OH2 TIP3 6396 44.088 5.344 17.306 1.00 0.00 WT1 O ATOM 18986 H1 TIP3 6396 43.773 4.806 18.032 1.00 0.00 WT1 H ATOM 18987 H2 TIP3 6396 43.333 5.877 17.056 1.00 0.00 WT1 H ATOM 18988 OH2 TIP3 6397 70.005 22.629 27.939 1.00 0.00 WT1 O ATOM 18989 H1 TIP3 6397 69.869 21.869 27.374 1.00 0.00 WT1 H ATOM 18990 H2 TIP3 6397 69.699 23.373 27.420 1.00 0.00 WT1 H ATOM 18991 OH2 TIP3 6400 37.898 90.058 4.622 1.00 0.00 WT1 O ATOM 18992 H1 TIP3 6400 37.644 90.716 3.975 1.00 0.00 WT1 H ATOM 18993 H2 TIP3 6400 37.201 89.403 4.584 1.00 0.00 WT1 H ATOM 18994 OH2 TIP3 6401 37.903 86.243 28.076 1.00 0.00 WT1 O ATOM 18995 H1 TIP3 6401 37.347 85.658 27.563 1.00 0.00 WT1 H ATOM 18996 H2 TIP3 6401 38.510 85.659 28.532 1.00 0.00 WT1 H ATOM 18997 OH2 TIP3 6402 68.757 41.237 4.902 1.00 0.00 WT1 O ATOM 18998 H1 TIP3 6402 69.443 41.126 5.561 1.00 0.00 WT1 H ATOM 18999 H2 TIP3 6402 68.185 41.914 5.263 1.00 0.00 WT1 H ATOM 19000 OH2 TIP3 6403 52.571 51.046 -13.225 1.00 0.00 WT1 O ATOM 19001 H1 TIP3 6403 53.466 51.376 -13.148 1.00 0.00 WT1 H ATOM 19002 H2 TIP3 6403 52.621 50.373 -13.904 1.00 0.00 WT1 H ATOM 19003 OH2 TIP3 6404 52.198 32.922 -18.425 1.00 0.00 WT1 O ATOM 19004 H1 TIP3 6404 51.837 32.156 -17.980 1.00 0.00 WT1 H ATOM 19005 H2 TIP3 6404 51.443 33.332 -18.848 1.00 0.00 WT1 H ATOM 19006 OH2 TIP3 6406 41.665 29.869 37.469 1.00 0.00 WT1 O ATOM 19007 H1 TIP3 6406 41.302 30.259 36.673 1.00 0.00 WT1 H ATOM 19008 H2 TIP3 6406 42.609 29.837 37.311 1.00 0.00 WT1 H ATOM 19009 OH2 TIP3 6407 41.405 39.212 -7.729 1.00 0.00 WT1 O ATOM 19010 H1 TIP3 6407 41.118 40.093 -7.490 1.00 0.00 WT1 H ATOM 19011 H2 TIP3 6407 41.392 38.724 -6.906 1.00 0.00 WT1 H ATOM 19012 OH2 TIP3 6408 22.990 90.215 -12.364 1.00 0.00 WT1 O ATOM 19013 H1 TIP3 6408 23.922 90.406 -12.470 1.00 0.00 WT1 H ATOM 19014 H2 TIP3 6408 22.815 90.381 -11.438 1.00 0.00 WT1 H ATOM 19015 OH2 TIP3 6409 61.031 11.775 53.562 1.00 0.00 WT1 O ATOM 19016 H1 TIP3 6409 61.896 11.601 53.933 1.00 0.00 WT1 H ATOM 19017 H2 TIP3 6409 61.192 11.907 52.628 1.00 0.00 WT1 H ATOM 19018 OH2 TIP3 6410 64.823 21.798 50.346 1.00 0.00 WT1 O ATOM 19019 H1 TIP3 6410 64.017 21.679 49.842 1.00 0.00 WT1 H ATOM 19020 H2 TIP3 6410 65.083 22.702 50.171 1.00 0.00 WT1 H ATOM 19021 OH2 TIP3 6411 54.323 32.382 5.926 1.00 0.00 WT1 O ATOM 19022 H1 TIP3 6411 54.892 31.816 6.447 1.00 0.00 WT1 H ATOM 19023 H2 TIP3 6411 53.441 32.040 6.075 1.00 0.00 WT1 H ATOM 19024 OH2 TIP3 6412 38.874 85.636 57.984 1.00 0.00 WT1 O ATOM 19025 H1 TIP3 6412 38.233 85.153 58.506 1.00 0.00 WT1 H ATOM 19026 H2 TIP3 6412 38.509 86.518 57.913 1.00 0.00 WT1 H ATOM 19027 OH2 TIP3 6413 26.677 59.962 56.642 1.00 0.00 WT1 O ATOM 19028 H1 TIP3 6413 26.976 60.618 57.273 1.00 0.00 WT1 H ATOM 19029 H2 TIP3 6413 26.938 59.125 57.026 1.00 0.00 WT1 H ATOM 19030 OH2 TIP3 6415 70.044 37.415 -16.157 1.00 0.00 WT1 O ATOM 19031 H1 TIP3 6415 70.983 37.547 -16.028 1.00 0.00 WT1 H ATOM 19032 H2 TIP3 6415 69.923 36.468 -16.090 1.00 0.00 WT1 H ATOM 19033 OH2 TIP3 6417 60.406 21.599 52.886 1.00 0.00 WT1 O ATOM 19034 H1 TIP3 6417 60.441 21.282 51.984 1.00 0.00 WT1 H ATOM 19035 H2 TIP3 6417 59.896 22.408 52.837 1.00 0.00 WT1 H ATOM 19036 OH2 TIP3 6418 79.361 54.021 36.532 1.00 0.00 WT1 O ATOM 19037 H1 TIP3 6418 79.558 54.763 35.961 1.00 0.00 WT1 H ATOM 19038 H2 TIP3 6418 79.724 54.270 37.382 1.00 0.00 WT1 H ATOM 19039 OH2 TIP3 6419 73.510 67.414 27.006 1.00 0.00 WT1 O ATOM 19040 H1 TIP3 6419 72.846 67.489 26.320 1.00 0.00 WT1 H ATOM 19041 H2 TIP3 6419 73.022 67.514 27.823 1.00 0.00 WT1 H ATOM 19042 OH2 TIP3 6420 41.650 60.858 65.434 1.00 0.00 WT1 O ATOM 19043 H1 TIP3 6420 41.434 60.940 66.363 1.00 0.00 WT1 H ATOM 19044 H2 TIP3 6420 41.789 61.759 65.140 1.00 0.00 WT1 H ATOM 19045 OH2 TIP3 6421 22.845 10.825 -10.088 1.00 0.00 WT1 O ATOM 19046 H1 TIP3 6421 21.920 11.067 -10.113 1.00 0.00 WT1 H ATOM 19047 H2 TIP3 6421 23.307 11.653 -9.955 1.00 0.00 WT1 H ATOM 19048 OH2 TIP3 6422 80.588 40.566 9.968 1.00 0.00 WT1 O ATOM 19049 H1 TIP3 6422 79.875 39.939 10.083 1.00 0.00 WT1 H ATOM 19050 H2 TIP3 6422 80.318 41.104 9.224 1.00 0.00 WT1 H ATOM 19051 OH2 TIP3 6424 33.740 31.714 26.521 1.00 0.00 WT1 O ATOM 19052 H1 TIP3 6424 33.763 32.086 27.403 1.00 0.00 WT1 H ATOM 19053 H2 TIP3 6424 34.107 30.836 26.621 1.00 0.00 WT1 H ATOM 19054 OH2 TIP3 6425 86.870 51.492 38.916 1.00 0.00 WT1 O ATOM 19055 H1 TIP3 6425 86.350 51.981 39.554 1.00 0.00 WT1 H ATOM 19056 H2 TIP3 6425 86.223 51.095 38.333 1.00 0.00 WT1 H ATOM 19057 OH2 TIP3 6427 36.944 17.561 45.120 1.00 0.00 WT1 O ATOM 19058 H1 TIP3 6427 36.027 17.838 45.116 1.00 0.00 WT1 H ATOM 19059 H2 TIP3 6427 37.271 17.802 44.253 1.00 0.00 WT1 H ATOM 19060 OH2 TIP3 6428 65.090 64.883 -2.374 1.00 0.00 WT1 O ATOM 19061 H1 TIP3 6428 64.605 64.066 -2.257 1.00 0.00 WT1 H ATOM 19062 H2 TIP3 6428 65.795 64.839 -1.729 1.00 0.00 WT1 H ATOM 19063 OH2 TIP3 6429 58.577 48.303 -15.512 1.00 0.00 WT1 O ATOM 19064 H1 TIP3 6429 57.905 48.896 -15.174 1.00 0.00 WT1 H ATOM 19065 H2 TIP3 6429 58.945 48.763 -16.266 1.00 0.00 WT1 H ATOM 19066 OH2 TIP3 6430 37.459 30.089 -16.102 1.00 0.00 WT1 O ATOM 19067 H1 TIP3 6430 37.991 29.302 -16.223 1.00 0.00 WT1 H ATOM 19068 H2 TIP3 6430 37.592 30.330 -15.185 1.00 0.00 WT1 H ATOM 19069 OH2 TIP3 6431 31.591 49.166 -6.444 1.00 0.00 WT1 O ATOM 19070 H1 TIP3 6431 32.542 49.234 -6.368 1.00 0.00 WT1 H ATOM 19071 H2 TIP3 6431 31.253 49.770 -5.783 1.00 0.00 WT1 H ATOM 19072 OH2 TIP3 6432 57.227 61.006 49.295 1.00 0.00 WT1 O ATOM 19073 H1 TIP3 6432 57.469 60.088 49.416 1.00 0.00 WT1 H ATOM 19074 H2 TIP3 6432 57.023 61.320 50.176 1.00 0.00 WT1 H ATOM 19075 OH2 TIP3 6433 69.055 65.552 22.763 1.00 0.00 WT1 O ATOM 19076 H1 TIP3 6433 69.020 64.760 22.227 1.00 0.00 WT1 H ATOM 19077 H2 TIP3 6433 68.138 65.804 22.878 1.00 0.00 WT1 H ATOM 19078 OH2 TIP3 6434 68.451 8.586 35.232 1.00 0.00 WT1 O ATOM 19079 H1 TIP3 6434 68.765 7.927 34.614 1.00 0.00 WT1 H ATOM 19080 H2 TIP3 6434 69.108 8.595 35.929 1.00 0.00 WT1 H ATOM 19081 OH2 TIP3 6435 64.700 18.466 28.886 1.00 0.00 WT1 O ATOM 19082 H1 TIP3 6435 64.906 18.596 27.960 1.00 0.00 WT1 H ATOM 19083 H2 TIP3 6435 64.989 19.273 29.312 1.00 0.00 WT1 H ATOM 19084 OH2 TIP3 6436 32.356 39.960 -5.315 1.00 0.00 WT1 O ATOM 19085 H1 TIP3 6436 31.723 39.799 -6.015 1.00 0.00 WT1 H ATOM 19086 H2 TIP3 6436 32.636 39.088 -5.039 1.00 0.00 WT1 H ATOM 19087 OH2 TIP3 6437 76.275 55.153 38.696 1.00 0.00 WT1 O ATOM 19088 H1 TIP3 6437 76.004 55.754 38.002 1.00 0.00 WT1 H ATOM 19089 H2 TIP3 6437 75.924 54.304 38.427 1.00 0.00 WT1 H ATOM 19090 OH2 TIP3 6438 34.102 18.556 -7.789 1.00 0.00 WT1 O ATOM 19091 H1 TIP3 6438 33.720 19.424 -7.658 1.00 0.00 WT1 H ATOM 19092 H2 TIP3 6438 34.059 18.415 -8.735 1.00 0.00 WT1 H ATOM 19093 OH2 TIP3 6439 84.304 89.907 54.081 1.00 0.00 WT1 O ATOM 19094 H1 TIP3 6439 83.915 90.350 53.327 1.00 0.00 WT1 H ATOM 19095 H2 TIP3 6439 83.721 89.167 54.252 1.00 0.00 WT1 H ATOM 19096 OH2 TIP3 6440 59.992 30.768 2.133 1.00 0.00 WT1 O ATOM 19097 H1 TIP3 6440 60.868 30.402 2.257 1.00 0.00 WT1 H ATOM 19098 H2 TIP3 6440 60.136 31.568 1.627 1.00 0.00 WT1 H ATOM 19099 OH2 TIP3 6441 72.471 37.239 22.703 1.00 0.00 WT1 O ATOM 19100 H1 TIP3 6441 72.103 38.093 22.931 1.00 0.00 WT1 H ATOM 19101 H2 TIP3 6441 71.992 36.973 21.919 1.00 0.00 WT1 H ATOM 19102 OH2 TIP3 6442 39.867 46.646 31.219 1.00 0.00 WT1 O ATOM 19103 H1 TIP3 6442 40.189 46.004 30.587 1.00 0.00 WT1 H ATOM 19104 H2 TIP3 6442 40.616 47.220 31.383 1.00 0.00 WT1 H ATOM 19105 OH2 TIP3 6443 46.111 44.253 28.047 1.00 0.00 WT1 O ATOM 19106 H1 TIP3 6443 46.797 44.056 27.409 1.00 0.00 WT1 H ATOM 19107 H2 TIP3 6443 45.463 44.758 27.555 1.00 0.00 WT1 H ATOM 19108 OH2 TIP3 6444 54.632 54.001 -7.517 1.00 0.00 WT1 O ATOM 19109 H1 TIP3 6444 53.980 53.479 -7.985 1.00 0.00 WT1 H ATOM 19110 H2 TIP3 6444 54.118 54.579 -6.954 1.00 0.00 WT1 H ATOM 19111 OH2 TIP3 6446 69.310 44.121 47.704 1.00 0.00 WT1 O ATOM 19112 H1 TIP3 6446 69.692 44.788 48.274 1.00 0.00 WT1 H ATOM 19113 H2 TIP3 6446 69.651 44.325 46.834 1.00 0.00 WT1 H ATOM 19114 OH2 TIP3 6448 47.884 75.785 64.682 1.00 0.00 WT1 O ATOM 19115 H1 TIP3 6448 47.204 75.357 65.202 1.00 0.00 WT1 H ATOM 19116 H2 TIP3 6448 47.409 76.405 64.129 1.00 0.00 WT1 H ATOM 19117 OH2 TIP3 6449 50.999 25.381 -0.727 1.00 0.00 WT1 O ATOM 19118 H1 TIP3 6449 51.691 25.700 -0.148 1.00 0.00 WT1 H ATOM 19119 H2 TIP3 6449 50.195 25.759 -0.371 1.00 0.00 WT1 H ATOM 19120 OH2 TIP3 6450 46.905 57.977 4.555 1.00 0.00 WT1 O ATOM 19121 H1 TIP3 6450 47.147 58.437 5.359 1.00 0.00 WT1 H ATOM 19122 H2 TIP3 6450 47.737 57.816 4.111 1.00 0.00 WT1 H ATOM 19123 OH2 TIP3 6451 26.271 23.123 48.234 1.00 0.00 WT1 O ATOM 19124 H1 TIP3 6451 26.737 22.332 47.962 1.00 0.00 WT1 H ATOM 19125 H2 TIP3 6451 26.670 23.360 49.071 1.00 0.00 WT1 H ATOM 19126 OH2 TIP3 6452 51.282 49.979 44.167 1.00 0.00 WT1 O ATOM 19127 H1 TIP3 6452 51.449 49.134 43.749 1.00 0.00 WT1 H ATOM 19128 H2 TIP3 6452 52.113 50.449 44.099 1.00 0.00 WT1 H ATOM 19129 OH2 TIP3 6453 44.642 58.612 -3.647 1.00 0.00 WT1 O ATOM 19130 H1 TIP3 6453 44.837 58.873 -2.747 1.00 0.00 WT1 H ATOM 19131 H2 TIP3 6453 45.068 57.760 -3.748 1.00 0.00 WT1 H ATOM 19132 OH2 TIP3 6454 28.216 89.203 28.623 1.00 0.00 WT1 O ATOM 19133 H1 TIP3 6454 28.221 89.857 29.322 1.00 0.00 WT1 H ATOM 19134 H2 TIP3 6454 29.065 89.306 28.192 1.00 0.00 WT1 H ATOM 19135 OH2 TIP3 6455 41.930 96.806 64.746 1.00 0.00 WT1 O ATOM 19136 H1 TIP3 6455 41.334 96.065 64.638 1.00 0.00 WT1 H ATOM 19137 H2 TIP3 6455 42.671 96.448 65.236 1.00 0.00 WT1 H ATOM 19138 OH2 TIP3 6456 31.128 26.387 34.262 1.00 0.00 WT1 O ATOM 19139 H1 TIP3 6456 30.416 26.616 33.664 1.00 0.00 WT1 H ATOM 19140 H2 TIP3 6456 31.780 25.959 33.706 1.00 0.00 WT1 H ATOM 19141 OH2 TIP3 6457 81.654 41.640 35.280 1.00 0.00 WT1 O ATOM 19142 H1 TIP3 6457 80.980 41.886 34.647 1.00 0.00 WT1 H ATOM 19143 H2 TIP3 6457 81.442 40.738 35.519 1.00 0.00 WT1 H ATOM 19144 OH2 TIP3 6461 73.286 78.276 50.221 1.00 0.00 WT1 O ATOM 19145 H1 TIP3 6461 72.829 77.643 49.667 1.00 0.00 WT1 H ATOM 19146 H2 TIP3 6461 73.135 79.120 49.796 1.00 0.00 WT1 H ATOM 19147 OH2 TIP3 6462 73.587 62.427 52.612 1.00 0.00 WT1 O ATOM 19148 H1 TIP3 6462 74.032 63.272 52.671 1.00 0.00 WT1 H ATOM 19149 H2 TIP3 6462 72.924 62.456 53.302 1.00 0.00 WT1 H ATOM 19150 OH2 TIP3 6464 29.238 14.577 2.965 1.00 0.00 WT1 O ATOM 19151 H1 TIP3 6464 29.488 15.477 3.173 1.00 0.00 WT1 H ATOM 19152 H2 TIP3 6464 29.525 14.450 2.061 1.00 0.00 WT1 H ATOM 19153 OH2 TIP3 6465 72.530 64.803 25.054 1.00 0.00 WT1 O ATOM 19154 H1 TIP3 6465 71.713 65.194 25.364 1.00 0.00 WT1 H ATOM 19155 H2 TIP3 6465 73.001 64.567 25.853 1.00 0.00 WT1 H ATOM 19156 OH2 TIP3 6467 40.487 52.541 -18.367 1.00 0.00 WT1 O ATOM 19157 H1 TIP3 6467 40.386 52.821 -19.276 1.00 0.00 WT1 H ATOM 19158 H2 TIP3 6467 40.727 53.338 -17.895 1.00 0.00 WT1 H ATOM 19159 OH2 TIP3 6468 77.706 1.554 49.661 1.00 0.00 WT1 O ATOM 19160 H1 TIP3 6468 78.556 1.931 49.431 1.00 0.00 WT1 H ATOM 19161 H2 TIP3 6468 77.901 0.646 49.893 1.00 0.00 WT1 H ATOM 19162 OH2 TIP3 6469 70.964 17.822 -0.732 1.00 0.00 WT1 O ATOM 19163 H1 TIP3 6469 70.754 16.893 -0.643 1.00 0.00 WT1 H ATOM 19164 H2 TIP3 6469 70.505 18.243 -0.005 1.00 0.00 WT1 H ATOM 19165 OH2 TIP3 6470 68.386 45.183 -7.073 1.00 0.00 WT1 O ATOM 19166 H1 TIP3 6470 67.911 45.545 -7.821 1.00 0.00 WT1 H ATOM 19167 H2 TIP3 6470 67.726 45.103 -6.385 1.00 0.00 WT1 H ATOM 19168 OH2 TIP3 6471 40.368 27.680 10.430 1.00 0.00 WT1 O ATOM 19169 H1 TIP3 6471 41.162 27.599 9.902 1.00 0.00 WT1 H ATOM 19170 H2 TIP3 6471 39.653 27.653 9.795 1.00 0.00 WT1 H ATOM 19171 OH2 TIP3 6472 84.857 69.863 4.143 1.00 0.00 WT1 O ATOM 19172 H1 TIP3 6472 84.794 69.125 3.537 1.00 0.00 WT1 H ATOM 19173 H2 TIP3 6472 85.072 70.613 3.588 1.00 0.00 WT1 H ATOM 19174 OH2 TIP3 6474 28.820 28.396 -8.851 1.00 0.00 WT1 O ATOM 19175 H1 TIP3 6474 28.355 28.570 -8.033 1.00 0.00 WT1 H ATOM 19176 H2 TIP3 6474 28.830 29.238 -9.305 1.00 0.00 WT1 H ATOM 19177 OH2 TIP3 6475 85.908 9.900 51.728 1.00 0.00 WT1 O ATOM 19178 H1 TIP3 6475 84.958 9.844 51.617 1.00 0.00 WT1 H ATOM 19179 H2 TIP3 6475 86.050 10.749 52.146 1.00 0.00 WT1 H ATOM 19180 OH2 TIP3 6476 55.477 56.852 51.224 1.00 0.00 WT1 O ATOM 19181 H1 TIP3 6476 55.081 56.267 50.577 1.00 0.00 WT1 H ATOM 19182 H2 TIP3 6476 56.284 57.158 50.809 1.00 0.00 WT1 H ATOM 19183 OH2 TIP3 6478 21.045 54.662 29.792 1.00 0.00 WT1 O ATOM 19184 H1 TIP3 6478 20.685 55.141 30.538 1.00 0.00 WT1 H ATOM 19185 H2 TIP3 6478 21.889 55.079 29.623 1.00 0.00 WT1 H ATOM 19186 OH2 TIP3 6479 29.032 33.306 66.680 1.00 0.00 WT1 O ATOM 19187 H1 TIP3 6479 29.106 33.586 65.768 1.00 0.00 WT1 H ATOM 19188 H2 TIP3 6479 29.159 32.358 66.652 1.00 0.00 WT1 H ATOM 19189 OH2 TIP3 6481 23.139 24.526 38.758 1.00 0.00 WT1 O ATOM 19190 H1 TIP3 6481 23.257 23.755 39.313 1.00 0.00 WT1 H ATOM 19191 H2 TIP3 6481 22.408 24.999 39.157 1.00 0.00 WT1 H ATOM 19192 OH2 TIP3 6482 64.041 87.673 21.383 1.00 0.00 WT1 O ATOM 19193 H1 TIP3 6482 63.111 87.532 21.203 1.00 0.00 WT1 H ATOM 19194 H2 TIP3 6482 64.052 88.293 22.112 1.00 0.00 WT1 H ATOM 19195 OH2 TIP3 6483 22.990 40.678 -3.939 1.00 0.00 WT1 O ATOM 19196 H1 TIP3 6483 22.595 39.810 -4.017 1.00 0.00 WT1 H ATOM 19197 H2 TIP3 6483 22.351 41.188 -3.440 1.00 0.00 WT1 H ATOM 19198 OH2 TIP3 6486 30.084 18.522 44.013 1.00 0.00 WT1 O ATOM 19199 H1 TIP3 6486 30.644 18.132 44.686 1.00 0.00 WT1 H ATOM 19200 H2 TIP3 6486 30.353 19.440 43.980 1.00 0.00 WT1 H ATOM 19201 OH2 TIP3 6488 89.876 45.712 58.218 1.00 0.00 WT1 O ATOM 19202 H1 TIP3 6488 90.664 45.177 58.316 1.00 0.00 WT1 H ATOM 19203 H2 TIP3 6488 89.275 45.377 58.883 1.00 0.00 WT1 H ATOM 19204 OH2 TIP3 6489 83.094 29.115 -19.104 1.00 0.00 WT1 O ATOM 19205 H1 TIP3 6489 82.249 29.521 -18.913 1.00 0.00 WT1 H ATOM 19206 H2 TIP3 6489 83.653 29.842 -19.381 1.00 0.00 WT1 H ATOM 19207 OH2 TIP3 6490 49.901 59.796 12.253 1.00 0.00 WT1 O ATOM 19208 H1 TIP3 6490 50.064 60.389 12.987 1.00 0.00 WT1 H ATOM 19209 H2 TIP3 6490 50.020 58.920 12.621 1.00 0.00 WT1 H ATOM 19210 OH2 TIP3 6491 45.190 31.780 3.648 1.00 0.00 WT1 O ATOM 19211 H1 TIP3 6491 45.697 31.021 3.936 1.00 0.00 WT1 H ATOM 19212 H2 TIP3 6491 44.681 32.035 4.418 1.00 0.00 WT1 H ATOM 19213 OH2 TIP3 6492 51.955 85.683 36.646 1.00 0.00 WT1 O ATOM 19214 H1 TIP3 6492 52.789 86.151 36.613 1.00 0.00 WT1 H ATOM 19215 H2 TIP3 6492 51.908 85.217 35.812 1.00 0.00 WT1 H ATOM 19216 OH2 TIP3 6493 89.354 9.146 60.691 1.00 0.00 WT1 O ATOM 19217 H1 TIP3 6493 90.270 8.910 60.837 1.00 0.00 WT1 H ATOM 19218 H2 TIP3 6493 89.373 10.088 60.524 1.00 0.00 WT1 H ATOM 19219 OH2 TIP3 6494 61.652 42.372 63.174 1.00 0.00 WT1 O ATOM 19220 H1 TIP3 6494 62.252 42.310 62.430 1.00 0.00 WT1 H ATOM 19221 H2 TIP3 6494 60.784 42.243 62.793 1.00 0.00 WT1 H ATOM 19222 OH2 TIP3 6495 41.712 35.536 5.516 1.00 0.00 WT1 O ATOM 19223 H1 TIP3 6495 40.789 35.779 5.441 1.00 0.00 WT1 H ATOM 19224 H2 TIP3 6495 41.769 35.060 6.344 1.00 0.00 WT1 H ATOM 19225 OH2 TIP3 6496 61.169 91.092 24.974 1.00 0.00 WT1 O ATOM 19226 H1 TIP3 6496 61.535 91.428 24.155 1.00 0.00 WT1 H ATOM 19227 H2 TIP3 6496 61.147 90.143 24.856 1.00 0.00 WT1 H ATOM 19228 OH2 TIP3 6497 57.908 63.744 25.389 1.00 0.00 WT1 O ATOM 19229 H1 TIP3 6497 57.416 63.759 24.568 1.00 0.00 WT1 H ATOM 19230 H2 TIP3 6497 57.979 62.815 25.609 1.00 0.00 WT1 H ATOM 19231 OH2 TIP3 6499 67.617 60.256 -18.045 1.00 0.00 WT1 O ATOM 19232 H1 TIP3 6499 66.926 59.919 -18.616 1.00 0.00 WT1 H ATOM 19233 H2 TIP3 6499 68.256 59.545 -17.996 1.00 0.00 WT1 H ATOM 19234 OH2 TIP3 6500 77.520 40.707 23.526 1.00 0.00 WT1 O ATOM 19235 H1 TIP3 6500 77.908 40.606 22.657 1.00 0.00 WT1 H ATOM 19236 H2 TIP3 6500 77.287 41.634 23.578 1.00 0.00 WT1 H ATOM 19237 OH2 TIP3 6501 62.418 57.777 20.888 1.00 0.00 WT1 O ATOM 19238 H1 TIP3 6501 61.800 57.497 20.212 1.00 0.00 WT1 H ATOM 19239 H2 TIP3 6501 61.914 57.749 21.701 1.00 0.00 WT1 H ATOM 19240 OH2 TIP3 6503 64.439 83.194 6.912 1.00 0.00 WT1 O ATOM 19241 H1 TIP3 6503 63.665 83.403 7.434 1.00 0.00 WT1 H ATOM 19242 H2 TIP3 6503 64.239 82.348 6.512 1.00 0.00 WT1 H ATOM 19243 OH2 TIP3 6506 65.166 77.045 18.246 1.00 0.00 WT1 O ATOM 19244 H1 TIP3 6506 65.116 76.928 19.195 1.00 0.00 WT1 H ATOM 19245 H2 TIP3 6506 66.078 77.284 18.081 1.00 0.00 WT1 H ATOM 19246 OH2 TIP3 6508 71.864 41.730 32.844 1.00 0.00 WT1 O ATOM 19247 H1 TIP3 6508 72.629 41.579 32.288 1.00 0.00 WT1 H ATOM 19248 H2 TIP3 6508 71.271 41.008 32.638 1.00 0.00 WT1 H ATOM 19249 OH2 TIP3 6509 68.438 59.443 29.232 1.00 0.00 WT1 O ATOM 19250 H1 TIP3 6509 67.482 59.482 29.250 1.00 0.00 WT1 H ATOM 19251 H2 TIP3 6509 68.661 59.440 28.301 1.00 0.00 WT1 H ATOM 19252 OH2 TIP3 6510 49.166 56.396 55.982 1.00 0.00 WT1 O ATOM 19253 H1 TIP3 6510 49.178 56.525 55.034 1.00 0.00 WT1 H ATOM 19254 H2 TIP3 6510 48.250 56.516 56.231 1.00 0.00 WT1 H ATOM 19255 OH2 TIP3 6511 68.700 92.699 14.697 1.00 0.00 WT1 O ATOM 19256 H1 TIP3 6511 67.921 93.048 14.263 1.00 0.00 WT1 H ATOM 19257 H2 TIP3 6511 68.507 91.770 14.826 1.00 0.00 WT1 H ATOM 19258 OH2 TIP3 6512 68.861 18.126 -13.377 1.00 0.00 WT1 O ATOM 19259 H1 TIP3 6512 69.346 18.948 -13.452 1.00 0.00 WT1 H ATOM 19260 H2 TIP3 6512 68.184 18.306 -12.725 1.00 0.00 WT1 H ATOM 19261 OH2 TIP3 6513 90.869 53.990 -6.117 1.00 0.00 WT1 O ATOM 19262 H1 TIP3 6513 89.946 54.219 -6.006 1.00 0.00 WT1 H ATOM 19263 H2 TIP3 6513 90.993 53.216 -5.569 1.00 0.00 WT1 H ATOM 19264 OH2 TIP3 6514 34.262 61.766 48.862 1.00 0.00 WT1 O ATOM 19265 H1 TIP3 6514 34.986 61.356 49.335 1.00 0.00 WT1 H ATOM 19266 H2 TIP3 6514 34.681 62.236 48.142 1.00 0.00 WT1 H ATOM 19267 OH2 TIP3 6515 85.988 67.946 23.615 1.00 0.00 WT1 O ATOM 19268 H1 TIP3 6515 86.520 68.251 24.349 1.00 0.00 WT1 H ATOM 19269 H2 TIP3 6515 86.443 67.167 23.296 1.00 0.00 WT1 H ATOM 19270 OH2 TIP3 6516 59.637 65.328 52.382 1.00 0.00 WT1 O ATOM 19271 H1 TIP3 6516 59.162 65.206 53.204 1.00 0.00 WT1 H ATOM 19272 H2 TIP3 6516 60.056 64.483 52.219 1.00 0.00 WT1 H ATOM 19273 OH2 TIP3 6518 48.611 13.995 35.584 1.00 0.00 WT1 O ATOM 19274 H1 TIP3 6518 48.233 13.220 35.168 1.00 0.00 WT1 H ATOM 19275 H2 TIP3 6518 47.858 14.548 35.791 1.00 0.00 WT1 H ATOM 19276 OH2 TIP3 6519 40.855 38.498 7.479 1.00 0.00 WT1 O ATOM 19277 H1 TIP3 6519 41.138 37.595 7.622 1.00 0.00 WT1 H ATOM 19278 H2 TIP3 6519 41.255 38.992 8.195 1.00 0.00 WT1 H ATOM 19279 OH2 TIP3 6521 83.678 34.999 12.890 1.00 0.00 WT1 O ATOM 19280 H1 TIP3 6521 84.492 34.647 12.530 1.00 0.00 WT1 H ATOM 19281 H2 TIP3 6521 83.810 34.988 13.838 1.00 0.00 WT1 H ATOM 19282 OH2 TIP3 6522 69.918 55.994 51.427 1.00 0.00 WT1 O ATOM 19283 H1 TIP3 6522 69.362 55.428 50.892 1.00 0.00 WT1 H ATOM 19284 H2 TIP3 6522 70.230 56.667 50.822 1.00 0.00 WT1 H ATOM 19285 OH2 TIP3 6524 79.485 43.707 -0.586 1.00 0.00 WT1 O ATOM 19286 H1 TIP3 6524 78.670 44.162 -0.375 1.00 0.00 WT1 H ATOM 19287 H2 TIP3 6524 79.207 42.834 -0.865 1.00 0.00 WT1 H ATOM 19288 OH2 TIP3 6527 43.837 57.099 61.597 1.00 0.00 WT1 O ATOM 19289 H1 TIP3 6527 44.515 57.181 60.927 1.00 0.00 WT1 H ATOM 19290 H2 TIP3 6527 43.520 57.992 61.729 1.00 0.00 WT1 H ATOM 19291 OH2 TIP3 6530 50.513 32.275 53.230 1.00 0.00 WT1 O ATOM 19292 H1 TIP3 6530 50.779 32.568 52.359 1.00 0.00 WT1 H ATOM 19293 H2 TIP3 6530 51.291 32.401 53.774 1.00 0.00 WT1 H ATOM 19294 OH2 TIP3 6531 29.645 90.249 23.651 1.00 0.00 WT1 O ATOM 19295 H1 TIP3 6531 29.612 90.984 24.263 1.00 0.00 WT1 H ATOM 19296 H2 TIP3 6531 29.871 89.494 24.194 1.00 0.00 WT1 H ATOM 19297 OH2 TIP3 6532 41.277 53.423 -11.379 1.00 0.00 WT1 O ATOM 19298 H1 TIP3 6532 41.342 53.973 -10.598 1.00 0.00 WT1 H ATOM 19299 H2 TIP3 6532 40.575 53.820 -11.894 1.00 0.00 WT1 H ATOM 19300 OH2 TIP3 6533 37.339 76.734 -2.180 1.00 0.00 WT1 O ATOM 19301 H1 TIP3 6533 37.722 77.593 -2.356 1.00 0.00 WT1 H ATOM 19302 H2 TIP3 6533 37.955 76.316 -1.577 1.00 0.00 WT1 H ATOM 19303 OH2 TIP3 6534 45.255 59.487 13.708 1.00 0.00 WT1 O ATOM 19304 H1 TIP3 6534 45.066 60.322 13.279 1.00 0.00 WT1 H ATOM 19305 H2 TIP3 6534 45.423 59.720 14.622 1.00 0.00 WT1 H ATOM 19306 OH2 TIP3 6535 26.096 45.519 24.546 1.00 0.00 WT1 O ATOM 19307 H1 TIP3 6535 26.642 45.568 23.762 1.00 0.00 WT1 H ATOM 19308 H2 TIP3 6535 25.404 44.897 24.319 1.00 0.00 WT1 H ATOM 19309 OH2 TIP3 6536 77.513 14.533 -14.432 1.00 0.00 WT1 O ATOM 19310 H1 TIP3 6536 77.718 13.598 -14.457 1.00 0.00 WT1 H ATOM 19311 H2 TIP3 6536 76.567 14.575 -14.570 1.00 0.00 WT1 H ATOM 19312 OH2 TIP3 6537 46.424 70.615 53.776 1.00 0.00 WT1 O ATOM 19313 H1 TIP3 6537 45.929 70.106 53.134 1.00 0.00 WT1 H ATOM 19314 H2 TIP3 6537 45.995 71.471 53.785 1.00 0.00 WT1 H ATOM 19315 OH2 TIP3 6540 25.778 41.343 17.200 1.00 0.00 WT1 O ATOM 19316 H1 TIP3 6540 25.329 40.896 17.917 1.00 0.00 WT1 H ATOM 19317 H2 TIP3 6540 26.535 41.760 17.614 1.00 0.00 WT1 H ATOM 19318 OH2 TIP3 6541 56.617 47.968 24.178 1.00 0.00 WT1 O ATOM 19319 H1 TIP3 6541 55.896 47.374 23.968 1.00 0.00 WT1 H ATOM 19320 H2 TIP3 6541 57.299 47.752 23.542 1.00 0.00 WT1 H ATOM 19321 OH2 TIP3 6543 82.840 39.164 49.506 1.00 0.00 WT1 O ATOM 19322 H1 TIP3 6543 82.758 39.733 50.271 1.00 0.00 WT1 H ATOM 19323 H2 TIP3 6543 83.610 39.494 49.043 1.00 0.00 WT1 H ATOM 19324 OH2 TIP3 6544 67.504 64.996 11.319 1.00 0.00 WT1 O ATOM 19325 H1 TIP3 6544 67.359 64.304 11.964 1.00 0.00 WT1 H ATOM 19326 H2 TIP3 6544 66.776 64.908 10.703 1.00 0.00 WT1 H ATOM 19327 OH2 TIP3 6546 79.987 74.855 24.307 1.00 0.00 WT1 O ATOM 19328 H1 TIP3 6546 79.502 74.082 24.019 1.00 0.00 WT1 H ATOM 19329 H2 TIP3 6546 80.572 74.531 24.991 1.00 0.00 WT1 H ATOM 19330 OH2 TIP3 6547 35.640 39.679 41.370 1.00 0.00 WT1 O ATOM 19331 H1 TIP3 6547 34.973 40.347 41.210 1.00 0.00 WT1 H ATOM 19332 H2 TIP3 6547 36.163 39.667 40.568 1.00 0.00 WT1 H ATOM 19333 OH2 TIP3 6548 66.555 87.590 17.108 1.00 0.00 WT1 O ATOM 19334 H1 TIP3 6548 66.150 87.520 16.243 1.00 0.00 WT1 H ATOM 19335 H2 TIP3 6548 65.875 87.299 17.716 1.00 0.00 WT1 H ATOM 19336 OH2 TIP3 6549 55.982 42.449 -16.257 1.00 0.00 WT1 O ATOM 19337 H1 TIP3 6549 56.884 42.266 -15.996 1.00 0.00 WT1 H ATOM 19338 H2 TIP3 6549 56.004 42.449 -17.214 1.00 0.00 WT1 H ATOM 19339 OH2 TIP3 6551 62.509 27.939 28.467 1.00 0.00 WT1 O ATOM 19340 H1 TIP3 6551 61.568 27.822 28.597 1.00 0.00 WT1 H ATOM 19341 H2 TIP3 6551 62.577 28.485 27.683 1.00 0.00 WT1 H ATOM 19342 OH2 TIP3 6552 83.360 46.008 2.535 1.00 0.00 WT1 O ATOM 19343 H1 TIP3 6552 82.701 46.462 2.010 1.00 0.00 WT1 H ATOM 19344 H2 TIP3 6552 82.947 45.892 3.391 1.00 0.00 WT1 H ATOM 19345 OH2 TIP3 6553 41.335 55.827 30.733 1.00 0.00 WT1 O ATOM 19346 H1 TIP3 6553 41.991 56.343 30.264 1.00 0.00 WT1 H ATOM 19347 H2 TIP3 6553 40.589 56.419 30.830 1.00 0.00 WT1 H ATOM 19348 OH2 TIP3 6555 52.151 5.278 57.783 1.00 0.00 WT1 O ATOM 19349 H1 TIP3 6555 51.555 4.548 57.615 1.00 0.00 WT1 H ATOM 19350 H2 TIP3 6555 51.729 6.032 57.371 1.00 0.00 WT1 H ATOM 19351 OH2 TIP3 6556 55.755 18.081 50.821 1.00 0.00 WT1 O ATOM 19352 H1 TIP3 6556 56.452 18.448 50.278 1.00 0.00 WT1 H ATOM 19353 H2 TIP3 6556 56.014 18.289 51.718 1.00 0.00 WT1 H ATOM 19354 OH2 TIP3 6558 32.324 62.969 -15.176 1.00 0.00 WT1 O ATOM 19355 H1 TIP3 6558 33.259 62.956 -14.974 1.00 0.00 WT1 H ATOM 19356 H2 TIP3 6558 32.025 62.079 -14.987 1.00 0.00 WT1 H ATOM 19357 OH2 TIP3 6559 28.861 56.360 30.531 1.00 0.00 WT1 O ATOM 19358 H1 TIP3 6559 29.628 55.788 30.509 1.00 0.00 WT1 H ATOM 19359 H2 TIP3 6559 28.205 55.901 30.006 1.00 0.00 WT1 H ATOM 19360 OH2 TIP3 6560 25.951 80.327 14.537 1.00 0.00 WT1 O ATOM 19361 H1 TIP3 6560 26.735 80.854 14.692 1.00 0.00 WT1 H ATOM 19362 H2 TIP3 6560 25.742 80.473 13.614 1.00 0.00 WT1 H ATOM 19363 OH2 TIP3 6561 22.773 58.664 50.632 1.00 0.00 WT1 O ATOM 19364 H1 TIP3 6561 23.416 58.846 51.318 1.00 0.00 WT1 H ATOM 19365 H2 TIP3 6561 22.137 59.375 50.705 1.00 0.00 WT1 H ATOM 19366 OH2 TIP3 6564 70.046 82.203 14.821 1.00 0.00 WT1 O ATOM 19367 H1 TIP3 6564 69.173 81.848 14.993 1.00 0.00 WT1 H ATOM 19368 H2 TIP3 6564 69.883 83.017 14.345 1.00 0.00 WT1 H ATOM 19369 OH2 TIP3 6565 51.655 52.200 16.660 1.00 0.00 WT1 O ATOM 19370 H1 TIP3 6565 51.478 51.310 16.963 1.00 0.00 WT1 H ATOM 19371 H2 TIP3 6565 51.673 52.130 15.705 1.00 0.00 WT1 H ATOM 19372 OH2 TIP3 6566 53.965 70.923 9.628 1.00 0.00 WT1 O ATOM 19373 H1 TIP3 6566 53.909 71.343 10.486 1.00 0.00 WT1 H ATOM 19374 H2 TIP3 6566 54.669 70.281 9.721 1.00 0.00 WT1 H ATOM 19375 OH2 TIP3 6569 77.961 67.469 37.837 1.00 0.00 WT1 O ATOM 19376 H1 TIP3 6569 77.180 67.775 38.298 1.00 0.00 WT1 H ATOM 19377 H2 TIP3 6569 77.747 67.570 36.910 1.00 0.00 WT1 H ATOM 19378 OH2 TIP3 6570 56.699 38.457 66.416 1.00 0.00 WT1 O ATOM 19379 H1 TIP3 6570 57.195 38.600 65.610 1.00 0.00 WT1 H ATOM 19380 H2 TIP3 6570 55.859 38.106 66.121 1.00 0.00 WT1 H ATOM 19381 OH2 TIP3 6571 86.582 25.849 62.841 1.00 0.00 WT1 O ATOM 19382 H1 TIP3 6571 86.640 25.532 61.940 1.00 0.00 WT1 H ATOM 19383 H2 TIP3 6571 86.555 26.802 62.759 1.00 0.00 WT1 H ATOM 19384 OH2 TIP3 6573 90.599 45.529 6.875 1.00 0.00 WT1 O ATOM 19385 H1 TIP3 6573 89.807 44.992 6.851 1.00 0.00 WT1 H ATOM 19386 H2 TIP3 6573 90.883 45.496 7.789 1.00 0.00 WT1 H ATOM 19387 OH2 TIP3 6574 85.872 79.026 -2.545 1.00 0.00 WT1 O ATOM 19388 H1 TIP3 6574 85.464 78.573 -1.808 1.00 0.00 WT1 H ATOM 19389 H2 TIP3 6574 86.800 79.074 -2.314 1.00 0.00 WT1 H ATOM 19390 OH2 TIP3 6575 40.765 78.888 54.062 1.00 0.00 WT1 O ATOM 19391 H1 TIP3 6575 41.039 79.174 53.190 1.00 0.00 WT1 H ATOM 19392 H2 TIP3 6575 40.019 78.311 53.902 1.00 0.00 WT1 H ATOM 19393 OH2 TIP3 6576 30.264 43.803 0.818 1.00 0.00 WT1 O ATOM 19394 H1 TIP3 6576 29.404 44.216 0.902 1.00 0.00 WT1 H ATOM 19395 H2 TIP3 6576 30.348 43.264 1.605 1.00 0.00 WT1 H ATOM 19396 OH2 TIP3 6577 86.608 73.737 29.178 1.00 0.00 WT1 O ATOM 19397 H1 TIP3 6577 86.912 73.459 30.042 1.00 0.00 WT1 H ATOM 19398 H2 TIP3 6577 87.394 73.727 28.632 1.00 0.00 WT1 H ATOM 19399 OH2 TIP3 6578 22.968 59.040 7.716 1.00 0.00 WT1 O ATOM 19400 H1 TIP3 6578 22.538 58.953 8.567 1.00 0.00 WT1 H ATOM 19401 H2 TIP3 6578 23.821 59.426 7.916 1.00 0.00 WT1 H ATOM 19402 OH2 TIP3 6579 57.794 96.199 58.335 1.00 0.00 WT1 O ATOM 19403 H1 TIP3 6579 57.186 96.854 57.993 1.00 0.00 WT1 H ATOM 19404 H2 TIP3 6579 58.285 95.904 57.568 1.00 0.00 WT1 H ATOM 19405 OH2 TIP3 6580 29.829 53.433 60.614 1.00 0.00 WT1 O ATOM 19406 H1 TIP3 6580 29.257 53.415 61.381 1.00 0.00 WT1 H ATOM 19407 H2 TIP3 6580 30.663 53.767 60.944 1.00 0.00 WT1 H ATOM 19408 OH2 TIP3 6581 30.965 40.719 26.339 1.00 0.00 WT1 O ATOM 19409 H1 TIP3 6581 31.427 39.925 26.072 1.00 0.00 WT1 H ATOM 19410 H2 TIP3 6581 31.652 41.294 26.677 1.00 0.00 WT1 H ATOM 19411 OH2 TIP3 6583 68.188 42.372 -14.917 1.00 0.00 WT1 O ATOM 19412 H1 TIP3 6583 67.647 41.974 -15.599 1.00 0.00 WT1 H ATOM 19413 H2 TIP3 6583 68.057 43.314 -15.025 1.00 0.00 WT1 H ATOM 19414 OH2 TIP3 6584 25.043 44.163 8.609 1.00 0.00 WT1 O ATOM 19415 H1 TIP3 6584 24.799 44.876 8.019 1.00 0.00 WT1 H ATOM 19416 H2 TIP3 6584 25.838 44.473 9.044 1.00 0.00 WT1 H ATOM 19417 OH2 TIP3 6585 48.860 78.647 16.350 1.00 0.00 WT1 O ATOM 19418 H1 TIP3 6585 49.565 79.097 16.815 1.00 0.00 WT1 H ATOM 19419 H2 TIP3 6585 48.697 77.858 16.867 1.00 0.00 WT1 H ATOM 19420 OH2 TIP3 6586 76.129 64.793 -7.908 1.00 0.00 WT1 O ATOM 19421 H1 TIP3 6586 75.260 64.603 -8.262 1.00 0.00 WT1 H ATOM 19422 H2 TIP3 6586 76.719 64.224 -8.402 1.00 0.00 WT1 H ATOM 19423 OH2 TIP3 6587 44.347 52.150 -9.852 1.00 0.00 WT1 O ATOM 19424 H1 TIP3 6587 45.242 52.422 -9.651 1.00 0.00 WT1 H ATOM 19425 H2 TIP3 6587 43.983 52.877 -10.357 1.00 0.00 WT1 H ATOM 19426 OH2 TIP3 6589 70.428 66.813 54.390 1.00 0.00 WT1 O ATOM 19427 H1 TIP3 6589 70.298 66.212 53.656 1.00 0.00 WT1 H ATOM 19428 H2 TIP3 6589 70.610 67.658 53.978 1.00 0.00 WT1 H ATOM 19429 OH2 TIP3 6590 88.265 58.363 57.522 1.00 0.00 WT1 O ATOM 19430 H1 TIP3 6590 88.733 59.184 57.373 1.00 0.00 WT1 H ATOM 19431 H2 TIP3 6590 88.906 57.681 57.321 1.00 0.00 WT1 H ATOM 19432 OH2 TIP3 6592 58.741 92.050 36.638 1.00 0.00 WT1 O ATOM 19433 H1 TIP3 6592 58.951 92.137 37.568 1.00 0.00 WT1 H ATOM 19434 H2 TIP3 6592 58.942 91.137 36.431 1.00 0.00 WT1 H ATOM 19435 OH2 TIP3 6594 39.975 88.279 38.203 1.00 0.00 WT1 O ATOM 19436 H1 TIP3 6594 40.919 88.157 38.305 1.00 0.00 WT1 H ATOM 19437 H2 TIP3 6594 39.602 87.414 38.372 1.00 0.00 WT1 H ATOM 19438 OH2 TIP3 6595 70.821 1.583 22.744 1.00 0.00 WT1 O ATOM 19439 H1 TIP3 6595 71.474 1.280 22.114 1.00 0.00 WT1 H ATOM 19440 H2 TIP3 6595 70.465 2.382 22.355 1.00 0.00 WT1 H ATOM 19441 OH2 TIP3 6596 55.546 22.059 55.906 1.00 0.00 WT1 O ATOM 19442 H1 TIP3 6596 54.790 21.877 55.347 1.00 0.00 WT1 H ATOM 19443 H2 TIP3 6596 56.041 22.727 55.432 1.00 0.00 WT1 H ATOM 19444 OH2 TIP3 6597 70.627 4.396 -5.080 1.00 0.00 WT1 O ATOM 19445 H1 TIP3 6597 70.539 4.714 -4.182 1.00 0.00 WT1 H ATOM 19446 H2 TIP3 6597 70.220 5.076 -5.617 1.00 0.00 WT1 H ATOM 19447 OH2 TIP3 6598 43.850 67.235 61.705 1.00 0.00 WT1 O ATOM 19448 H1 TIP3 6598 44.649 66.867 61.328 1.00 0.00 WT1 H ATOM 19449 H2 TIP3 6598 44.058 68.157 61.856 1.00 0.00 WT1 H ATOM 19450 OH2 TIP3 6600 43.920 56.889 -8.558 1.00 0.00 WT1 O ATOM 19451 H1 TIP3 6600 43.920 56.368 -7.755 1.00 0.00 WT1 H ATOM 19452 H2 TIP3 6600 43.408 57.667 -8.339 1.00 0.00 WT1 H ATOM 19453 OH2 TIP3 6601 53.018 24.515 -15.505 1.00 0.00 WT1 O ATOM 19454 H1 TIP3 6601 52.513 24.086 -14.815 1.00 0.00 WT1 H ATOM 19455 H2 TIP3 6601 53.932 24.352 -15.272 1.00 0.00 WT1 H ATOM 19456 OH2 TIP3 6602 88.408 79.196 -1.290 1.00 0.00 WT1 O ATOM 19457 H1 TIP3 6602 88.573 78.299 -1.579 1.00 0.00 WT1 H ATOM 19458 H2 TIP3 6602 88.819 79.250 -0.427 1.00 0.00 WT1 H ATOM 19459 OH2 TIP3 6603 57.644 68.959 -2.027 1.00 0.00 WT1 O ATOM 19460 H1 TIP3 6603 57.148 69.395 -1.335 1.00 0.00 WT1 H ATOM 19461 H2 TIP3 6603 57.544 68.025 -1.843 1.00 0.00 WT1 H ATOM 19462 OH2 TIP3 6604 50.410 3.590 14.068 1.00 0.00 WT1 O ATOM 19463 H1 TIP3 6604 49.500 3.748 13.819 1.00 0.00 WT1 H ATOM 19464 H2 TIP3 6604 50.608 4.279 14.702 1.00 0.00 WT1 H ATOM 19465 OH2 TIP3 6606 75.495 55.412 44.513 1.00 0.00 WT1 O ATOM 19466 H1 TIP3 6606 75.423 55.091 43.614 1.00 0.00 WT1 H ATOM 19467 H2 TIP3 6606 76.330 55.879 44.535 1.00 0.00 WT1 H ATOM 19468 OH2 TIP3 6607 55.541 63.425 23.738 1.00 0.00 WT1 O ATOM 19469 H1 TIP3 6607 55.489 63.688 22.820 1.00 0.00 WT1 H ATOM 19470 H2 TIP3 6607 55.303 62.498 23.737 1.00 0.00 WT1 H ATOM 19471 OH2 TIP3 6608 73.529 41.992 35.167 1.00 0.00 WT1 O ATOM 19472 H1 TIP3 6608 73.488 42.923 35.385 1.00 0.00 WT1 H ATOM 19473 H2 TIP3 6608 72.739 41.831 34.650 1.00 0.00 WT1 H ATOM 19474 OH2 TIP3 6609 58.052 58.496 27.976 1.00 0.00 WT1 O ATOM 19475 H1 TIP3 6609 57.301 58.404 27.389 1.00 0.00 WT1 H ATOM 19476 H2 TIP3 6609 58.079 57.672 28.462 1.00 0.00 WT1 H ATOM 19477 OH2 TIP3 6610 36.368 49.019 21.625 1.00 0.00 WT1 O ATOM 19478 H1 TIP3 6610 35.846 49.470 22.288 1.00 0.00 WT1 H ATOM 19479 H2 TIP3 6610 36.799 48.308 22.101 1.00 0.00 WT1 H ATOM 19480 OH2 TIP3 6611 64.438 67.032 41.903 1.00 0.00 WT1 O ATOM 19481 H1 TIP3 6611 64.159 67.886 41.574 1.00 0.00 WT1 H ATOM 19482 H2 TIP3 6611 63.733 66.435 41.650 1.00 0.00 WT1 H ATOM 19483 OH2 TIP3 6613 72.345 1.475 32.598 1.00 0.00 WT1 O ATOM 19484 H1 TIP3 6613 71.690 2.174 32.601 1.00 0.00 WT1 H ATOM 19485 H2 TIP3 6613 72.910 1.673 33.345 1.00 0.00 WT1 H ATOM 19486 OH2 TIP3 6614 40.541 63.628 66.469 1.00 0.00 WT1 O ATOM 19487 H1 TIP3 6614 39.910 63.529 67.182 1.00 0.00 WT1 H ATOM 19488 H2 TIP3 6614 41.310 64.021 66.882 1.00 0.00 WT1 H ATOM 19489 OH2 TIP3 6615 36.609 25.316 59.532 1.00 0.00 WT1 O ATOM 19490 H1 TIP3 6615 36.403 25.012 60.416 1.00 0.00 WT1 H ATOM 19491 H2 TIP3 6615 37.165 24.628 59.166 1.00 0.00 WT1 H ATOM 19492 OH2 TIP3 6616 47.225 19.130 24.534 1.00 0.00 WT1 O ATOM 19493 H1 TIP3 6616 47.613 19.820 25.072 1.00 0.00 WT1 H ATOM 19494 H2 TIP3 6616 46.833 19.595 23.794 1.00 0.00 WT1 H ATOM 19495 OH2 TIP3 6618 74.169 71.204 -5.695 1.00 0.00 WT1 O ATOM 19496 H1 TIP3 6618 73.592 71.006 -4.958 1.00 0.00 WT1 H ATOM 19497 H2 TIP3 6618 73.697 70.886 -6.464 1.00 0.00 WT1 H ATOM 19498 OH2 TIP3 6620 76.587 84.957 57.797 1.00 0.00 WT1 O ATOM 19499 H1 TIP3 6620 76.438 84.046 58.050 1.00 0.00 WT1 H ATOM 19500 H2 TIP3 6620 75.933 85.128 57.119 1.00 0.00 WT1 H ATOM 19501 OH2 TIP3 6621 60.310 12.447 57.557 1.00 0.00 WT1 O ATOM 19502 H1 TIP3 6621 61.039 12.504 58.175 1.00 0.00 WT1 H ATOM 19503 H2 TIP3 6621 60.617 11.843 56.880 1.00 0.00 WT1 H ATOM 19504 OH2 TIP3 6622 20.638 0.359 -2.406 1.00 0.00 WT1 O ATOM 19505 H1 TIP3 6622 20.735 -0.257 -1.680 1.00 0.00 WT1 H ATOM 19506 H2 TIP3 6622 21.378 0.959 -2.313 1.00 0.00 WT1 H ATOM 19507 OH2 TIP3 6623 87.672 25.724 14.202 1.00 0.00 WT1 O ATOM 19508 H1 TIP3 6623 86.893 25.266 13.886 1.00 0.00 WT1 H ATOM 19509 H2 TIP3 6623 87.413 26.645 14.233 1.00 0.00 WT1 H ATOM 19510 OH2 TIP3 6625 80.375 38.898 13.029 1.00 0.00 WT1 O ATOM 19511 H1 TIP3 6625 79.445 39.104 12.937 1.00 0.00 WT1 H ATOM 19512 H2 TIP3 6625 80.666 39.430 13.770 1.00 0.00 WT1 H ATOM 19513 OH2 TIP3 6626 48.084 51.928 18.990 1.00 0.00 WT1 O ATOM 19514 H1 TIP3 6626 48.968 51.648 19.228 1.00 0.00 WT1 H ATOM 19515 H2 TIP3 6626 48.152 52.178 18.069 1.00 0.00 WT1 H ATOM 19516 OH2 TIP3 6627 46.442 54.311 -18.869 1.00 0.00 WT1 O ATOM 19517 H1 TIP3 6627 45.702 53.937 -18.390 1.00 0.00 WT1 H ATOM 19518 H2 TIP3 6627 46.905 54.840 -18.219 1.00 0.00 WT1 H ATOM 19519 OH2 TIP3 6628 71.033 38.160 26.798 1.00 0.00 WT1 O ATOM 19520 H1 TIP3 6628 71.685 38.735 26.397 1.00 0.00 WT1 H ATOM 19521 H2 TIP3 6628 70.192 38.556 26.571 1.00 0.00 WT1 H ATOM 19522 OH2 TIP3 6629 71.769 65.768 22.319 1.00 0.00 WT1 O ATOM 19523 H1 TIP3 6629 70.818 65.741 22.212 1.00 0.00 WT1 H ATOM 19524 H2 TIP3 6629 71.929 65.343 23.161 1.00 0.00 WT1 H ATOM 19525 OH2 TIP3 6630 21.883 24.035 63.110 1.00 0.00 WT1 O ATOM 19526 H1 TIP3 6630 21.092 24.250 62.616 1.00 0.00 WT1 H ATOM 19527 H2 TIP3 6630 21.602 24.039 64.025 1.00 0.00 WT1 H ATOM 19528 OH2 TIP3 6631 51.246 61.491 13.847 1.00 0.00 WT1 O ATOM 19529 H1 TIP3 6631 50.783 61.373 14.676 1.00 0.00 WT1 H ATOM 19530 H2 TIP3 6631 52.172 61.499 14.088 1.00 0.00 WT1 H ATOM 19531 OH2 TIP3 6632 40.186 3.947 26.360 1.00 0.00 WT1 O ATOM 19532 H1 TIP3 6632 40.190 4.825 25.980 1.00 0.00 WT1 H ATOM 19533 H2 TIP3 6632 40.434 4.080 27.275 1.00 0.00 WT1 H ATOM 19534 OH2 TIP3 6633 80.673 68.010 -6.653 1.00 0.00 WT1 O ATOM 19535 H1 TIP3 6633 80.581 67.801 -5.724 1.00 0.00 WT1 H ATOM 19536 H2 TIP3 6633 80.062 67.419 -7.094 1.00 0.00 WT1 H ATOM 19537 OH2 TIP3 6634 90.516 76.989 60.272 1.00 0.00 WT1 O ATOM 19538 H1 TIP3 6634 89.872 76.354 59.960 1.00 0.00 WT1 H ATOM 19539 H2 TIP3 6634 90.883 76.591 61.061 1.00 0.00 WT1 H ATOM 19540 OH2 TIP3 6635 31.424 31.151 40.065 1.00 0.00 WT1 O ATOM 19541 H1 TIP3 6635 31.098 30.591 39.361 1.00 0.00 WT1 H ATOM 19542 H2 TIP3 6635 31.403 32.035 39.699 1.00 0.00 WT1 H ATOM 19543 OH2 TIP3 6636 80.769 30.126 -5.247 1.00 0.00 WT1 O ATOM 19544 H1 TIP3 6636 81.247 29.424 -5.689 1.00 0.00 WT1 H ATOM 19545 H2 TIP3 6636 81.008 30.918 -5.728 1.00 0.00 WT1 H ATOM 19546 OH2 TIP3 6637 43.973 15.873 -15.830 1.00 0.00 WT1 O ATOM 19547 H1 TIP3 6637 44.503 16.254 -16.530 1.00 0.00 WT1 H ATOM 19548 H2 TIP3 6637 44.611 15.575 -15.182 1.00 0.00 WT1 H ATOM 19549 OH2 TIP3 6638 53.602 30.592 55.788 1.00 0.00 WT1 O ATOM 19550 H1 TIP3 6638 53.099 30.014 55.215 1.00 0.00 WT1 H ATOM 19551 H2 TIP3 6638 54.021 31.214 55.194 1.00 0.00 WT1 H ATOM 19552 OH2 TIP3 6639 55.020 23.444 44.163 1.00 0.00 WT1 O ATOM 19553 H1 TIP3 6639 54.612 23.703 43.336 1.00 0.00 WT1 H ATOM 19554 H2 TIP3 6639 55.369 24.259 44.524 1.00 0.00 WT1 H ATOM 19555 OH2 TIP3 6640 47.543 72.017 64.772 1.00 0.00 WT1 O ATOM 19556 H1 TIP3 6640 47.021 71.966 63.971 1.00 0.00 WT1 H ATOM 19557 H2 TIP3 6640 48.370 71.590 64.548 1.00 0.00 WT1 H ATOM 19558 OH2 TIP3 6641 76.821 2.906 9.240 1.00 0.00 WT1 O ATOM 19559 H1 TIP3 6641 76.226 2.324 9.712 1.00 0.00 WT1 H ATOM 19560 H2 TIP3 6641 77.656 2.438 9.228 1.00 0.00 WT1 H ATOM 19561 OH2 TIP3 6642 90.253 3.690 4.389 1.00 0.00 WT1 O ATOM 19562 H1 TIP3 6642 90.181 4.088 3.522 1.00 0.00 WT1 H ATOM 19563 H2 TIP3 6642 89.614 4.162 4.923 1.00 0.00 WT1 H ATOM 19564 OH2 TIP3 6643 86.790 56.115 1.316 1.00 0.00 WT1 O ATOM 19565 H1 TIP3 6643 87.232 56.894 0.978 1.00 0.00 WT1 H ATOM 19566 H2 TIP3 6643 86.006 56.453 1.749 1.00 0.00 WT1 H ATOM 19567 OH2 TIP3 6644 85.420 90.215 47.642 1.00 0.00 WT1 O ATOM 19568 H1 TIP3 6644 85.553 90.810 48.380 1.00 0.00 WT1 H ATOM 19569 H2 TIP3 6644 84.599 90.505 47.245 1.00 0.00 WT1 H ATOM 19570 OH2 TIP3 6645 27.214 68.159 21.182 1.00 0.00 WT1 O ATOM 19571 H1 TIP3 6645 28.046 68.185 21.653 1.00 0.00 WT1 H ATOM 19572 H2 TIP3 6645 27.342 67.496 20.503 1.00 0.00 WT1 H ATOM 19573 OH2 TIP3 6647 27.059 51.321 11.811 1.00 0.00 WT1 O ATOM 19574 H1 TIP3 6647 27.976 51.180 11.576 1.00 0.00 WT1 H ATOM 19575 H2 TIP3 6647 26.886 50.679 12.499 1.00 0.00 WT1 H ATOM 19576 OH2 TIP3 6648 51.069 41.100 59.750 1.00 0.00 WT1 O ATOM 19577 H1 TIP3 6648 50.845 41.426 58.879 1.00 0.00 WT1 H ATOM 19578 H2 TIP3 6648 51.080 41.881 60.304 1.00 0.00 WT1 H ATOM 19579 OH2 TIP3 6649 61.156 42.224 -19.407 1.00 0.00 WT1 O ATOM 19580 H1 TIP3 6649 61.570 43.049 -19.154 1.00 0.00 WT1 H ATOM 19581 H2 TIP3 6649 61.013 42.305 -20.350 1.00 0.00 WT1 H ATOM 19582 OH2 TIP3 6650 34.018 94.764 29.476 1.00 0.00 WT1 O ATOM 19583 H1 TIP3 6650 34.781 95.138 29.035 1.00 0.00 WT1 H ATOM 19584 H2 TIP3 6650 33.680 95.478 30.017 1.00 0.00 WT1 H ATOM 19585 OH2 TIP3 6651 83.647 65.173 5.849 1.00 0.00 WT1 O ATOM 19586 H1 TIP3 6651 82.799 64.903 5.498 1.00 0.00 WT1 H ATOM 19587 H2 TIP3 6651 84.060 64.358 6.133 1.00 0.00 WT1 H ATOM 19588 OH2 TIP3 6652 32.887 88.488 50.755 1.00 0.00 WT1 O ATOM 19589 H1 TIP3 6652 32.252 87.853 50.425 1.00 0.00 WT1 H ATOM 19590 H2 TIP3 6652 32.484 88.840 51.549 1.00 0.00 WT1 H ATOM 19591 OH2 TIP3 6653 36.897 72.051 62.028 1.00 0.00 WT1 O ATOM 19592 H1 TIP3 6653 36.176 72.567 61.668 1.00 0.00 WT1 H ATOM 19593 H2 TIP3 6653 37.674 72.591 61.885 1.00 0.00 WT1 H ATOM 19594 OH2 TIP3 6654 57.146 39.337 -5.508 1.00 0.00 WT1 O ATOM 19595 H1 TIP3 6654 58.034 39.452 -5.845 1.00 0.00 WT1 H ATOM 19596 H2 TIP3 6654 56.856 40.223 -5.291 1.00 0.00 WT1 H ATOM 19597 OH2 TIP3 6655 69.971 19.243 64.528 1.00 0.00 WT1 O ATOM 19598 H1 TIP3 6655 69.593 18.683 63.850 1.00 0.00 WT1 H ATOM 19599 H2 TIP3 6655 70.554 19.836 64.053 1.00 0.00 WT1 H ATOM 19600 OH2 TIP3 6656 39.174 15.660 4.737 1.00 0.00 WT1 O ATOM 19601 H1 TIP3 6656 38.966 15.514 5.660 1.00 0.00 WT1 H ATOM 19602 H2 TIP3 6656 38.399 15.355 4.265 1.00 0.00 WT1 H ATOM 19603 OH2 TIP3 6657 70.979 43.296 11.791 1.00 0.00 WT1 O ATOM 19604 H1 TIP3 6657 70.335 43.877 11.387 1.00 0.00 WT1 H ATOM 19605 H2 TIP3 6657 70.503 42.868 12.503 1.00 0.00 WT1 H ATOM 19606 OH2 TIP3 6658 30.884 85.072 -3.379 1.00 0.00 WT1 O ATOM 19607 H1 TIP3 6658 30.351 85.442 -2.675 1.00 0.00 WT1 H ATOM 19608 H2 TIP3 6658 30.989 84.151 -3.142 1.00 0.00 WT1 H ATOM 19609 OH2 TIP3 6659 26.188 96.388 29.212 1.00 0.00 WT1 O ATOM 19610 H1 TIP3 6659 26.840 96.356 29.912 1.00 0.00 WT1 H ATOM 19611 H2 TIP3 6659 25.372 96.619 29.654 1.00 0.00 WT1 H ATOM 19612 OH2 TIP3 6660 20.758 17.883 -11.465 1.00 0.00 WT1 O ATOM 19613 H1 TIP3 6660 20.290 18.669 -11.184 1.00 0.00 WT1 H ATOM 19614 H2 TIP3 6660 20.361 17.655 -12.306 1.00 0.00 WT1 H ATOM 19615 OH2 TIP3 6661 33.734 63.151 16.250 1.00 0.00 WT1 O ATOM 19616 H1 TIP3 6661 34.651 63.234 15.989 1.00 0.00 WT1 H ATOM 19617 H2 TIP3 6661 33.724 63.397 17.175 1.00 0.00 WT1 H ATOM 19618 OH2 TIP3 6662 29.137 88.089 64.270 1.00 0.00 WT1 O ATOM 19619 H1 TIP3 6662 28.518 88.793 64.074 1.00 0.00 WT1 H ATOM 19620 H2 TIP3 6662 29.996 88.508 64.231 1.00 0.00 WT1 H ATOM 19621 OH2 TIP3 6663 42.749 92.957 31.874 1.00 0.00 WT1 O ATOM 19622 H1 TIP3 6663 42.531 93.685 31.291 1.00 0.00 WT1 H ATOM 19623 H2 TIP3 6663 42.713 92.182 31.313 1.00 0.00 WT1 H ATOM 19624 OH2 TIP3 6664 76.391 64.841 1.574 1.00 0.00 WT1 O ATOM 19625 H1 TIP3 6664 76.586 63.906 1.643 1.00 0.00 WT1 H ATOM 19626 H2 TIP3 6664 75.473 64.875 1.306 1.00 0.00 WT1 H ATOM 19627 OH2 TIP3 6665 73.108 91.422 3.098 1.00 0.00 WT1 O ATOM 19628 H1 TIP3 6665 73.417 90.804 3.761 1.00 0.00 WT1 H ATOM 19629 H2 TIP3 6665 72.161 91.464 3.232 1.00 0.00 WT1 H ATOM 19630 OH2 TIP3 6666 70.639 78.406 13.848 1.00 0.00 WT1 O ATOM 19631 H1 TIP3 6666 71.186 77.732 13.445 1.00 0.00 WT1 H ATOM 19632 H2 TIP3 6666 70.451 79.020 13.137 1.00 0.00 WT1 H ATOM 19633 OH2 TIP3 6667 56.591 72.894 7.512 1.00 0.00 WT1 O ATOM 19634 H1 TIP3 6667 56.876 72.062 7.891 1.00 0.00 WT1 H ATOM 19635 H2 TIP3 6667 55.654 72.937 7.704 1.00 0.00 WT1 H ATOM 19636 OH2 TIP3 6668 64.523 50.675 28.699 1.00 0.00 WT1 O ATOM 19637 H1 TIP3 6668 63.687 51.088 28.485 1.00 0.00 WT1 H ATOM 19638 H2 TIP3 6668 64.845 50.336 27.863 1.00 0.00 WT1 H ATOM 19639 OH2 TIP3 6669 72.191 57.597 64.352 1.00 0.00 WT1 O ATOM 19640 H1 TIP3 6669 72.324 56.701 64.661 1.00 0.00 WT1 H ATOM 19641 H2 TIP3 6669 72.085 58.114 65.150 1.00 0.00 WT1 H ATOM 19642 OH2 TIP3 6670 84.515 59.204 25.305 1.00 0.00 WT1 O ATOM 19643 H1 TIP3 6670 84.074 58.652 24.659 1.00 0.00 WT1 H ATOM 19644 H2 TIP3 6670 85.114 58.611 25.759 1.00 0.00 WT1 H ATOM 19645 OH2 TIP3 6671 31.557 93.074 52.861 1.00 0.00 WT1 O ATOM 19646 H1 TIP3 6671 30.974 93.194 52.111 1.00 0.00 WT1 H ATOM 19647 H2 TIP3 6671 32.129 93.841 52.845 1.00 0.00 WT1 H ATOM 19648 OH2 TIP3 6672 50.404 38.061 56.028 1.00 0.00 WT1 O ATOM 19649 H1 TIP3 6672 51.044 38.243 56.716 1.00 0.00 WT1 H ATOM 19650 H2 TIP3 6672 50.109 38.925 55.740 1.00 0.00 WT1 H ATOM 19651 OH2 TIP3 6673 84.016 94.492 35.104 1.00 0.00 WT1 O ATOM 19652 H1 TIP3 6673 84.004 94.112 34.225 1.00 0.00 WT1 H ATOM 19653 H2 TIP3 6673 83.356 95.185 35.075 1.00 0.00 WT1 H ATOM 19654 OH2 TIP3 6674 69.621 84.168 60.840 1.00 0.00 WT1 O ATOM 19655 H1 TIP3 6674 70.324 83.814 61.385 1.00 0.00 WT1 H ATOM 19656 H2 TIP3 6674 69.321 84.946 61.310 1.00 0.00 WT1 H ATOM 19657 OH2 TIP3 6677 59.469 41.222 55.270 1.00 0.00 WT1 O ATOM 19658 H1 TIP3 6677 58.926 40.763 55.911 1.00 0.00 WT1 H ATOM 19659 H2 TIP3 6677 60.250 40.676 55.183 1.00 0.00 WT1 H ATOM 19660 OH2 TIP3 6678 54.616 61.385 19.827 1.00 0.00 WT1 O ATOM 19661 H1 TIP3 6678 53.837 61.315 19.275 1.00 0.00 WT1 H ATOM 19662 H2 TIP3 6678 54.462 60.764 20.539 1.00 0.00 WT1 H ATOM 19663 OH2 TIP3 6679 58.702 80.774 28.908 1.00 0.00 WT1 O ATOM 19664 H1 TIP3 6679 59.308 81.143 29.550 1.00 0.00 WT1 H ATOM 19665 H2 TIP3 6679 57.861 81.186 29.107 1.00 0.00 WT1 H ATOM 19666 OH2 TIP3 6680 59.699 13.882 54.848 1.00 0.00 WT1 O ATOM 19667 H1 TIP3 6680 59.985 13.136 54.322 1.00 0.00 WT1 H ATOM 19668 H2 TIP3 6680 60.386 14.538 54.728 1.00 0.00 WT1 H ATOM 19669 OH2 TIP3 6681 72.853 38.575 -7.453 1.00 0.00 WT1 O ATOM 19670 H1 TIP3 6681 73.021 39.516 -7.391 1.00 0.00 WT1 H ATOM 19671 H2 TIP3 6681 72.569 38.441 -8.358 1.00 0.00 WT1 H ATOM 19672 OH2 TIP3 6682 56.040 20.784 66.110 1.00 0.00 WT1 O ATOM 19673 H1 TIP3 6682 56.770 20.796 66.730 1.00 0.00 WT1 H ATOM 19674 H2 TIP3 6682 55.280 21.047 66.629 1.00 0.00 WT1 H ATOM 19675 OH2 TIP3 6683 46.726 3.238 7.490 1.00 0.00 WT1 O ATOM 19676 H1 TIP3 6683 46.297 3.945 7.009 1.00 0.00 WT1 H ATOM 19677 H2 TIP3 6683 46.192 3.124 8.276 1.00 0.00 WT1 H ATOM 19678 OH2 TIP3 6684 31.881 90.733 18.013 1.00 0.00 WT1 O ATOM 19679 H1 TIP3 6684 32.158 89.830 18.167 1.00 0.00 WT1 H ATOM 19680 H2 TIP3 6684 30.951 90.741 18.239 1.00 0.00 WT1 H ATOM 19681 OH2 TIP3 6685 40.449 6.642 25.620 1.00 0.00 WT1 O ATOM 19682 H1 TIP3 6685 39.585 7.029 25.759 1.00 0.00 WT1 H ATOM 19683 H2 TIP3 6685 40.985 6.988 26.334 1.00 0.00 WT1 H ATOM 19684 OH2 TIP3 6686 24.723 23.038 3.995 1.00 0.00 WT1 O ATOM 19685 H1 TIP3 6686 24.248 23.282 3.201 1.00 0.00 WT1 H ATOM 19686 H2 TIP3 6686 25.394 23.713 4.091 1.00 0.00 WT1 H ATOM 19687 OH2 TIP3 6687 49.273 90.624 42.648 1.00 0.00 WT1 O ATOM 19688 H1 TIP3 6687 48.490 91.170 42.582 1.00 0.00 WT1 H ATOM 19689 H2 TIP3 6687 48.961 89.735 42.476 1.00 0.00 WT1 H ATOM 19690 OH2 TIP3 6688 38.145 52.314 57.188 1.00 0.00 WT1 O ATOM 19691 H1 TIP3 6688 37.557 52.564 57.901 1.00 0.00 WT1 H ATOM 19692 H2 TIP3 6688 37.668 52.546 56.391 1.00 0.00 WT1 H ATOM 19693 OH2 TIP3 6689 26.632 3.161 -5.782 1.00 0.00 WT1 O ATOM 19694 H1 TIP3 6689 27.234 3.671 -6.325 1.00 0.00 WT1 H ATOM 19695 H2 TIP3 6689 26.127 3.818 -5.303 1.00 0.00 WT1 H ATOM 19696 OH2 TIP3 6690 26.871 20.609 44.610 1.00 0.00 WT1 O ATOM 19697 H1 TIP3 6690 26.244 20.731 43.897 1.00 0.00 WT1 H ATOM 19698 H2 TIP3 6690 27.673 20.318 44.176 1.00 0.00 WT1 H ATOM 19699 OH2 TIP3 6691 84.499 22.973 61.837 1.00 0.00 WT1 O ATOM 19700 H1 TIP3 6691 85.445 22.823 61.822 1.00 0.00 WT1 H ATOM 19701 H2 TIP3 6691 84.348 23.618 61.147 1.00 0.00 WT1 H ATOM 19702 OH2 TIP3 6692 85.563 40.841 -11.256 1.00 0.00 WT1 O ATOM 19703 H1 TIP3 6692 86.176 40.275 -10.786 1.00 0.00 WT1 H ATOM 19704 H2 TIP3 6692 84.946 40.237 -11.668 1.00 0.00 WT1 H ATOM 19705 OH2 TIP3 6693 54.961 93.719 37.800 1.00 0.00 WT1 O ATOM 19706 H1 TIP3 6693 54.416 93.038 37.406 1.00 0.00 WT1 H ATOM 19707 H2 TIP3 6693 55.188 94.297 37.071 1.00 0.00 WT1 H ATOM 19708 OH2 TIP3 6694 71.380 67.256 32.868 1.00 0.00 WT1 O ATOM 19709 H1 TIP3 6694 71.665 66.345 32.944 1.00 0.00 WT1 H ATOM 19710 H2 TIP3 6694 70.451 67.237 33.102 1.00 0.00 WT1 H ATOM 19711 OH2 TIP3 6695 39.482 7.943 34.066 1.00 0.00 WT1 O ATOM 19712 H1 TIP3 6695 39.265 8.838 34.328 1.00 0.00 WT1 H ATOM 19713 H2 TIP3 6695 39.504 7.972 33.109 1.00 0.00 WT1 H ATOM 19714 OH2 TIP3 6696 86.582 87.972 34.951 1.00 0.00 WT1 O ATOM 19715 H1 TIP3 6696 86.505 87.140 34.485 1.00 0.00 WT1 H ATOM 19716 H2 TIP3 6696 85.678 88.227 35.137 1.00 0.00 WT1 H ATOM 19717 OH2 TIP3 6697 75.418 66.029 25.965 1.00 0.00 WT1 O ATOM 19718 H1 TIP3 6697 75.351 65.293 26.574 1.00 0.00 WT1 H ATOM 19719 H2 TIP3 6697 74.781 66.667 26.289 1.00 0.00 WT1 H ATOM 19720 OH2 TIP3 6698 76.615 23.194 -15.382 1.00 0.00 WT1 O ATOM 19721 H1 TIP3 6698 77.469 22.834 -15.141 1.00 0.00 WT1 H ATOM 19722 H2 TIP3 6698 76.463 23.896 -14.749 1.00 0.00 WT1 H ATOM 19723 OH2 TIP3 6699 80.098 74.759 21.363 1.00 0.00 WT1 O ATOM 19724 H1 TIP3 6699 79.591 73.953 21.268 1.00 0.00 WT1 H ATOM 19725 H2 TIP3 6699 79.747 75.171 22.153 1.00 0.00 WT1 H ATOM 19726 OH2 TIP3 6700 57.243 79.163 -9.626 1.00 0.00 WT1 O ATOM 19727 H1 TIP3 6700 58.192 79.196 -9.747 1.00 0.00 WT1 H ATOM 19728 H2 TIP3 6700 57.117 78.585 -8.874 1.00 0.00 WT1 H ATOM 19729 OH2 TIP3 6701 27.061 11.939 -16.689 1.00 0.00 WT1 O ATOM 19730 H1 TIP3 6701 26.364 12.411 -16.233 1.00 0.00 WT1 H ATOM 19731 H2 TIP3 6701 27.844 12.100 -16.163 1.00 0.00 WT1 H ATOM 19732 OH2 TIP3 6702 86.448 2.429 51.279 1.00 0.00 WT1 O ATOM 19733 H1 TIP3 6702 85.736 3.066 51.228 1.00 0.00 WT1 H ATOM 19734 H2 TIP3 6702 86.089 1.708 51.796 1.00 0.00 WT1 H ATOM 19735 OH2 TIP3 6703 50.135 6.071 9.017 1.00 0.00 WT1 O ATOM 19736 H1 TIP3 6703 50.862 5.923 9.621 1.00 0.00 WT1 H ATOM 19737 H2 TIP3 6703 50.265 5.426 8.322 1.00 0.00 WT1 H ATOM 19738 OH2 TIP3 6704 38.004 51.162 -17.739 1.00 0.00 WT1 O ATOM 19739 H1 TIP3 6704 38.683 51.706 -18.138 1.00 0.00 WT1 H ATOM 19740 H2 TIP3 6704 37.222 51.713 -17.744 1.00 0.00 WT1 H ATOM 19741 OH2 TIP3 6705 57.052 3.490 -14.309 1.00 0.00 WT1 O ATOM 19742 H1 TIP3 6705 57.945 3.800 -14.461 1.00 0.00 WT1 H ATOM 19743 H2 TIP3 6705 56.987 3.405 -13.358 1.00 0.00 WT1 H ATOM 19744 OH2 TIP3 6706 63.634 84.286 -5.323 1.00 0.00 WT1 O ATOM 19745 H1 TIP3 6706 64.022 84.933 -5.912 1.00 0.00 WT1 H ATOM 19746 H2 TIP3 6706 62.696 84.324 -5.507 1.00 0.00 WT1 H ATOM 19747 OH2 TIP3 6707 29.353 38.569 46.031 1.00 0.00 WT1 O ATOM 19748 H1 TIP3 6707 30.290 38.606 46.224 1.00 0.00 WT1 H ATOM 19749 H2 TIP3 6707 29.149 39.431 45.668 1.00 0.00 WT1 H ATOM 19750 OH2 TIP3 6708 85.715 17.438 59.254 1.00 0.00 WT1 O ATOM 19751 H1 TIP3 6708 86.553 17.863 59.072 1.00 0.00 WT1 H ATOM 19752 H2 TIP3 6708 85.944 16.671 59.779 1.00 0.00 WT1 H ATOM 19753 OH2 TIP3 6709 30.193 9.907 -16.909 1.00 0.00 WT1 O ATOM 19754 H1 TIP3 6709 30.605 9.218 -17.430 1.00 0.00 WT1 H ATOM 19755 H2 TIP3 6709 29.617 9.438 -16.304 1.00 0.00 WT1 H ATOM 19756 OH2 TIP3 6710 28.211 21.159 48.994 1.00 0.00 WT1 O ATOM 19757 H1 TIP3 6710 28.010 21.246 49.926 1.00 0.00 WT1 H ATOM 19758 H2 TIP3 6710 28.999 21.687 48.868 1.00 0.00 WT1 H ATOM 19759 OH2 TIP3 6711 21.648 36.320 7.805 1.00 0.00 WT1 O ATOM 19760 H1 TIP3 6711 21.721 36.481 6.864 1.00 0.00 WT1 H ATOM 19761 H2 TIP3 6711 21.640 37.193 8.198 1.00 0.00 WT1 H ATOM 19762 OH2 TIP3 6712 28.431 25.629 -4.098 1.00 0.00 WT1 O ATOM 19763 H1 TIP3 6712 27.894 26.406 -4.254 1.00 0.00 WT1 H ATOM 19764 H2 TIP3 6712 29.012 25.582 -4.857 1.00 0.00 WT1 H ATOM 19765 OH2 TIP3 6713 54.867 6.818 10.905 1.00 0.00 WT1 O ATOM 19766 H1 TIP3 6713 55.677 6.976 10.420 1.00 0.00 WT1 H ATOM 19767 H2 TIP3 6713 54.788 7.570 11.492 1.00 0.00 WT1 H ATOM 19768 OH2 TIP3 6714 67.508 7.112 -0.995 1.00 0.00 WT1 O ATOM 19769 H1 TIP3 6714 68.124 7.773 -1.312 1.00 0.00 WT1 H ATOM 19770 H2 TIP3 6714 67.050 7.537 -0.270 1.00 0.00 WT1 H ATOM 19771 OH2 TIP3 6715 82.911 15.746 -0.663 1.00 0.00 WT1 O ATOM 19772 H1 TIP3 6715 82.177 16.255 -0.319 1.00 0.00 WT1 H ATOM 19773 H2 TIP3 6715 82.943 14.966 -0.109 1.00 0.00 WT1 H ATOM 19774 OH2 TIP3 6716 74.633 89.432 58.671 1.00 0.00 WT1 O ATOM 19775 H1 TIP3 6716 74.305 88.581 58.382 1.00 0.00 WT1 H ATOM 19776 H2 TIP3 6716 73.856 89.990 58.707 1.00 0.00 WT1 H ATOM 19777 OH2 TIP3 6717 80.888 94.698 0.864 1.00 0.00 WT1 O ATOM 19778 H1 TIP3 6717 80.004 94.748 0.500 1.00 0.00 WT1 H ATOM 19779 H2 TIP3 6717 81.132 95.609 1.027 1.00 0.00 WT1 H ATOM 19780 OH2 TIP3 6718 33.429 69.769 -11.659 1.00 0.00 WT1 O ATOM 19781 H1 TIP3 6718 33.078 68.880 -11.599 1.00 0.00 WT1 H ATOM 19782 H2 TIP3 6718 34.228 69.748 -11.133 1.00 0.00 WT1 H ATOM 19783 OH2 TIP3 6719 21.852 52.577 -12.583 1.00 0.00 WT1 O ATOM 19784 H1 TIP3 6719 21.669 53.184 -11.865 1.00 0.00 WT1 H ATOM 19785 H2 TIP3 6719 21.002 52.190 -12.792 1.00 0.00 WT1 H ATOM 19786 OH2 TIP3 6720 21.545 41.583 -7.428 1.00 0.00 WT1 O ATOM 19787 H1 TIP3 6720 22.170 40.894 -7.199 1.00 0.00 WT1 H ATOM 19788 H2 TIP3 6720 21.384 42.044 -6.604 1.00 0.00 WT1 H ATOM 19789 OH2 TIP3 6721 86.862 32.633 -8.335 1.00 0.00 WT1 O ATOM 19790 H1 TIP3 6721 86.044 33.112 -8.205 1.00 0.00 WT1 H ATOM 19791 H2 TIP3 6721 86.697 31.770 -7.956 1.00 0.00 WT1 H ATOM 19792 OH2 TIP3 6722 23.376 24.703 55.241 1.00 0.00 WT1 O ATOM 19793 H1 TIP3 6722 23.444 23.786 54.972 1.00 0.00 WT1 H ATOM 19794 H2 TIP3 6722 22.717 24.701 55.936 1.00 0.00 WT1 H ATOM 19795 OH2 TIP3 6723 51.493 4.996 54.030 1.00 0.00 WT1 O ATOM 19796 H1 TIP3 6723 51.560 5.769 54.591 1.00 0.00 WT1 H ATOM 19797 H2 TIP3 6723 52.393 4.822 53.754 1.00 0.00 WT1 H ATOM 19798 OH2 TIP3 6724 30.152 50.762 -4.427 1.00 0.00 WT1 O ATOM 19799 H1 TIP3 6724 30.835 50.738 -3.757 1.00 0.00 WT1 H ATOM 19800 H2 TIP3 6724 29.406 50.317 -4.024 1.00 0.00 WT1 H ATOM 19801 OH2 TIP3 6725 66.814 43.526 62.655 1.00 0.00 WT1 O ATOM 19802 H1 TIP3 6725 67.417 43.761 61.949 1.00 0.00 WT1 H ATOM 19803 H2 TIP3 6725 66.614 42.603 62.501 1.00 0.00 WT1 H ATOM 19804 OH2 TIP3 6726 36.600 49.796 19.146 1.00 0.00 WT1 O ATOM 19805 H1 TIP3 6726 36.488 49.416 20.017 1.00 0.00 WT1 H ATOM 19806 H2 TIP3 6726 37.520 49.642 18.933 1.00 0.00 WT1 H ATOM 19807 OH2 TIP3 6727 68.338 20.326 16.532 1.00 0.00 WT1 O ATOM 19808 H1 TIP3 6727 67.748 20.873 16.013 1.00 0.00 WT1 H ATOM 19809 H2 TIP3 6727 67.828 20.089 17.306 1.00 0.00 WT1 H ATOM 19810 OH2 TIP3 6728 22.098 72.975 -13.375 1.00 0.00 WT1 O ATOM 19811 H1 TIP3 6728 23.014 72.774 -13.563 1.00 0.00 WT1 H ATOM 19812 H2 TIP3 6728 22.130 73.551 -12.611 1.00 0.00 WT1 H ATOM 19813 OH2 TIP3 6729 68.063 85.136 23.595 1.00 0.00 WT1 O ATOM 19814 H1 TIP3 6729 67.325 85.658 23.283 1.00 0.00 WT1 H ATOM 19815 H2 TIP3 6729 67.703 84.618 24.315 1.00 0.00 WT1 H ATOM 19816 OH2 TIP3 6730 67.061 55.045 23.710 1.00 0.00 WT1 O ATOM 19817 H1 TIP3 6730 66.208 54.890 23.305 1.00 0.00 WT1 H ATOM 19818 H2 TIP3 6730 66.943 54.785 24.624 1.00 0.00 WT1 H ATOM 19819 OH2 TIP3 6731 53.461 79.271 5.877 1.00 0.00 WT1 O ATOM 19820 H1 TIP3 6731 53.612 79.595 6.765 1.00 0.00 WT1 H ATOM 19821 H2 TIP3 6731 53.982 78.470 5.823 1.00 0.00 WT1 H ATOM 19822 OH2 TIP3 6732 83.234 17.648 -3.496 1.00 0.00 WT1 O ATOM 19823 H1 TIP3 6732 84.037 17.299 -3.109 1.00 0.00 WT1 H ATOM 19824 H2 TIP3 6732 82.549 17.039 -3.219 1.00 0.00 WT1 H ATOM 19825 OH2 TIP3 6733 82.684 30.954 33.344 1.00 0.00 WT1 O ATOM 19826 H1 TIP3 6733 82.206 31.777 33.244 1.00 0.00 WT1 H ATOM 19827 H2 TIP3 6733 83.166 30.855 32.523 1.00 0.00 WT1 H ATOM 19828 OH2 TIP3 6734 22.609 5.753 45.668 1.00 0.00 WT1 O ATOM 19829 H1 TIP3 6734 22.832 6.656 45.442 1.00 0.00 WT1 H ATOM 19830 H2 TIP3 6734 22.901 5.238 44.915 1.00 0.00 WT1 H ATOM 19831 OH2 TIP3 6735 32.274 25.170 24.468 1.00 0.00 WT1 O ATOM 19832 H1 TIP3 6735 31.989 26.054 24.235 1.00 0.00 WT1 H ATOM 19833 H2 TIP3 6735 32.641 24.815 23.659 1.00 0.00 WT1 H ATOM 19834 OH2 TIP3 6736 29.023 68.864 31.613 1.00 0.00 WT1 O ATOM 19835 H1 TIP3 6736 29.141 68.313 32.386 1.00 0.00 WT1 H ATOM 19836 H2 TIP3 6736 29.581 69.625 31.773 1.00 0.00 WT1 H ATOM 19837 OH2 TIP3 6737 85.800 11.439 44.032 1.00 0.00 WT1 O ATOM 19838 H1 TIP3 6737 85.825 12.395 44.001 1.00 0.00 WT1 H ATOM 19839 H2 TIP3 6737 86.425 11.205 44.718 1.00 0.00 WT1 H ATOM 19840 OH2 TIP3 6738 38.013 88.601 54.942 1.00 0.00 WT1 O ATOM 19841 H1 TIP3 6738 37.246 88.464 54.385 1.00 0.00 WT1 H ATOM 19842 H2 TIP3 6738 38.524 87.798 54.849 1.00 0.00 WT1 H ATOM 19843 OH2 TIP3 6739 54.163 5.212 45.870 1.00 0.00 WT1 O ATOM 19844 H1 TIP3 6739 53.971 4.634 46.608 1.00 0.00 WT1 H ATOM 19845 H2 TIP3 6739 54.477 4.626 45.181 1.00 0.00 WT1 H ATOM 19846 OH2 TIP3 6740 27.368 26.372 26.811 1.00 0.00 WT1 O ATOM 19847 H1 TIP3 6740 27.513 25.944 25.968 1.00 0.00 WT1 H ATOM 19848 H2 TIP3 6740 28.233 26.690 27.070 1.00 0.00 WT1 H ATOM 19849 OH2 TIP3 6741 63.454 3.768 40.001 1.00 0.00 WT1 O ATOM 19850 H1 TIP3 6741 64.344 3.980 40.283 1.00 0.00 WT1 H ATOM 19851 H2 TIP3 6741 63.511 3.716 39.047 1.00 0.00 WT1 H ATOM 19852 OH2 TIP3 6742 60.858 4.057 59.325 1.00 0.00 WT1 O ATOM 19853 H1 TIP3 6742 60.447 3.193 59.361 1.00 0.00 WT1 H ATOM 19854 H2 TIP3 6742 61.335 4.130 60.152 1.00 0.00 WT1 H ATOM 19855 OH2 TIP3 6743 72.673 83.940 38.882 1.00 0.00 WT1 O ATOM 19856 H1 TIP3 6743 72.345 83.052 39.023 1.00 0.00 WT1 H ATOM 19857 H2 TIP3 6743 73.381 83.836 38.246 1.00 0.00 WT1 H ATOM 19858 OH2 TIP3 6744 39.359 64.433 -17.067 1.00 0.00 WT1 O ATOM 19859 H1 TIP3 6744 39.212 63.704 -16.465 1.00 0.00 WT1 H ATOM 19860 H2 TIP3 6744 38.481 64.755 -17.273 1.00 0.00 WT1 H ATOM 19861 OH2 TIP3 6745 46.226 93.080 63.544 1.00 0.00 WT1 O ATOM 19862 H1 TIP3 6745 46.570 93.706 64.181 1.00 0.00 WT1 H ATOM 19863 H2 TIP3 6745 45.319 92.937 63.813 1.00 0.00 WT1 H ATOM 19864 OH2 TIP3 6746 53.231 38.133 0.550 1.00 0.00 WT1 O ATOM 19865 H1 TIP3 6746 52.732 38.348 -0.238 1.00 0.00 WT1 H ATOM 19866 H2 TIP3 6746 52.624 38.299 1.271 1.00 0.00 WT1 H ATOM 19867 OH2 TIP3 6747 32.177 94.705 13.138 1.00 0.00 WT1 O ATOM 19868 H1 TIP3 6747 32.790 95.424 13.293 1.00 0.00 WT1 H ATOM 19869 H2 TIP3 6747 31.781 94.906 12.290 1.00 0.00 WT1 H ATOM 19870 OH2 TIP3 6748 53.760 7.984 56.474 1.00 0.00 WT1 O ATOM 19871 H1 TIP3 6748 53.212 7.921 55.693 1.00 0.00 WT1 H ATOM 19872 H2 TIP3 6748 54.512 7.422 56.286 1.00 0.00 WT1 H ATOM 19873 OH2 TIP3 6749 22.288 54.937 -8.958 1.00 0.00 WT1 O ATOM 19874 H1 TIP3 6749 21.970 54.050 -8.792 1.00 0.00 WT1 H ATOM 19875 H2 TIP3 6749 21.554 55.504 -8.721 1.00 0.00 WT1 H ATOM 19876 OH2 TIP3 6750 33.264 1.154 -19.457 1.00 0.00 WT1 O ATOM 19877 H1 TIP3 6750 33.557 1.136 -18.546 1.00 0.00 WT1 H ATOM 19878 H2 TIP3 6750 32.531 0.539 -19.485 1.00 0.00 WT1 H ATOM 19879 OH2 TIP3 6751 67.036 73.392 4.915 1.00 0.00 WT1 O ATOM 19880 H1 TIP3 6751 67.589 74.082 5.281 1.00 0.00 WT1 H ATOM 19881 H2 TIP3 6751 66.457 73.141 5.635 1.00 0.00 WT1 H ATOM 19882 OH2 TIP3 6752 77.153 50.161 24.432 1.00 0.00 WT1 O ATOM 19883 H1 TIP3 6752 76.613 49.431 24.735 1.00 0.00 WT1 H ATOM 19884 H2 TIP3 6752 76.853 50.911 24.946 1.00 0.00 WT1 H ATOM 19885 OH2 TIP3 6753 52.452 96.326 20.084 1.00 0.00 WT1 O ATOM 19886 H1 TIP3 6753 53.310 96.502 20.469 1.00 0.00 WT1 H ATOM 19887 H2 TIP3 6753 51.850 96.326 20.829 1.00 0.00 WT1 H ATOM 19888 OH2 TIP3 6754 64.758 40.015 38.511 1.00 0.00 WT1 O ATOM 19889 H1 TIP3 6754 64.911 40.143 37.575 1.00 0.00 WT1 H ATOM 19890 H2 TIP3 6754 65.194 40.758 38.929 1.00 0.00 WT1 H ATOM 19891 OH2 TIP3 6755 34.336 20.100 66.372 1.00 0.00 WT1 O ATOM 19892 H1 TIP3 6755 33.785 19.471 66.838 1.00 0.00 WT1 H ATOM 19893 H2 TIP3 6755 34.157 19.935 65.446 1.00 0.00 WT1 H ATOM 19894 OH2 TIP3 6756 34.805 63.982 23.053 1.00 0.00 WT1 O ATOM 19895 H1 TIP3 6756 35.098 64.121 22.152 1.00 0.00 WT1 H ATOM 19896 H2 TIP3 6756 35.070 63.085 23.255 1.00 0.00 WT1 H ATOM 19897 OH2 TIP3 6757 76.212 51.813 -2.383 1.00 0.00 WT1 O ATOM 19898 H1 TIP3 6757 75.791 51.801 -1.523 1.00 0.00 WT1 H ATOM 19899 H2 TIP3 6757 76.384 52.740 -2.553 1.00 0.00 WT1 H ATOM 19900 OH2 TIP3 6758 25.927 14.161 13.080 1.00 0.00 WT1 O ATOM 19901 H1 TIP3 6758 25.504 13.689 12.362 1.00 0.00 WT1 H ATOM 19902 H2 TIP3 6758 25.224 14.674 13.477 1.00 0.00 WT1 H ATOM 19903 OH2 TIP3 6759 88.376 59.309 35.825 1.00 0.00 WT1 O ATOM 19904 H1 TIP3 6759 88.935 58.851 36.452 1.00 0.00 WT1 H ATOM 19905 H2 TIP3 6759 87.803 59.852 36.366 1.00 0.00 WT1 H ATOM 19906 OH2 TIP3 6760 54.653 40.920 -4.281 1.00 0.00 WT1 O ATOM 19907 H1 TIP3 6760 53.822 41.389 -4.351 1.00 0.00 WT1 H ATOM 19908 H2 TIP3 6760 55.314 41.562 -4.541 1.00 0.00 WT1 H ATOM 19909 OH2 TIP3 6761 30.351 5.906 -16.288 1.00 0.00 WT1 O ATOM 19910 H1 TIP3 6761 31.164 6.175 -15.860 1.00 0.00 WT1 H ATOM 19911 H2 TIP3 6761 29.929 5.323 -15.658 1.00 0.00 WT1 H ATOM 19912 OH2 TIP3 6762 36.769 84.395 51.701 1.00 0.00 WT1 O ATOM 19913 H1 TIP3 6762 36.218 85.173 51.623 1.00 0.00 WT1 H ATOM 19914 H2 TIP3 6762 37.556 84.607 51.199 1.00 0.00 WT1 H ATOM 19915 OH2 TIP3 6763 82.574 91.135 4.854 1.00 0.00 WT1 O ATOM 19916 H1 TIP3 6763 82.519 90.192 5.010 1.00 0.00 WT1 H ATOM 19917 H2 TIP3 6763 81.671 91.402 4.683 1.00 0.00 WT1 H ATOM 19918 OH2 TIP3 6764 77.098 68.781 65.911 1.00 0.00 WT1 O ATOM 19919 H1 TIP3 6764 76.623 69.151 66.655 1.00 0.00 WT1 H ATOM 19920 H2 TIP3 6764 76.663 67.946 65.739 1.00 0.00 WT1 H ATOM 19921 OH2 TIP3 6765 70.528 34.948 12.376 1.00 0.00 WT1 O ATOM 19922 H1 TIP3 6765 70.779 35.338 13.214 1.00 0.00 WT1 H ATOM 19923 H2 TIP3 6765 69.697 35.368 12.155 1.00 0.00 WT1 H ATOM 19924 OH2 TIP3 6766 89.413 56.498 -15.504 1.00 0.00 WT1 O ATOM 19925 H1 TIP3 6766 90.267 56.243 -15.854 1.00 0.00 WT1 H ATOM 19926 H2 TIP3 6766 88.958 56.894 -16.247 1.00 0.00 WT1 H ATOM 19927 OH2 TIP3 6767 80.509 62.211 59.137 1.00 0.00 WT1 O ATOM 19928 H1 TIP3 6767 80.121 61.642 58.472 1.00 0.00 WT1 H ATOM 19929 H2 TIP3 6767 79.853 62.249 59.833 1.00 0.00 WT1 H ATOM 19930 OH2 TIP3 6768 59.504 14.603 7.728 1.00 0.00 WT1 O ATOM 19931 H1 TIP3 6768 58.767 14.154 7.314 1.00 0.00 WT1 H ATOM 19932 H2 TIP3 6768 59.582 14.192 8.589 1.00 0.00 WT1 H ATOM 19933 OH2 TIP3 6769 61.745 8.335 -19.312 1.00 0.00 WT1 O ATOM 19934 H1 TIP3 6769 61.841 8.272 -18.361 1.00 0.00 WT1 H ATOM 19935 H2 TIP3 6769 62.483 8.874 -19.593 1.00 0.00 WT1 H ATOM 19936 OH2 TIP3 6770 58.378 21.152 -19.493 1.00 0.00 WT1 O ATOM 19937 H1 TIP3 6770 59.327 21.031 -19.496 1.00 0.00 WT1 H ATOM 19938 H2 TIP3 6770 58.072 20.632 -18.749 1.00 0.00 WT1 H ATOM 19939 OH2 TIP3 6771 63.745 82.228 18.264 1.00 0.00 WT1 O ATOM 19940 H1 TIP3 6771 63.276 81.565 17.758 1.00 0.00 WT1 H ATOM 19941 H2 TIP3 6771 64.364 81.730 18.798 1.00 0.00 WT1 H ATOM 19942 OH2 TIP3 6772 81.294 24.109 -16.920 1.00 0.00 WT1 O ATOM 19943 H1 TIP3 6772 80.830 24.344 -17.724 1.00 0.00 WT1 H ATOM 19944 H2 TIP3 6772 82.213 24.058 -17.180 1.00 0.00 WT1 H ATOM 19945 OH2 TIP3 6773 89.405 85.669 3.662 1.00 0.00 WT1 O ATOM 19946 H1 TIP3 6773 88.757 85.015 3.401 1.00 0.00 WT1 H ATOM 19947 H2 TIP3 6773 89.455 86.268 2.917 1.00 0.00 WT1 H ATOM 19948 OH2 TIP3 6775 63.029 7.435 30.345 1.00 0.00 WT1 O ATOM 19949 H1 TIP3 6775 63.362 8.049 29.690 1.00 0.00 WT1 H ATOM 19950 H2 TIP3 6775 62.414 7.951 30.866 1.00 0.00 WT1 H ATOM 19951 OH2 TIP3 6776 71.478 28.333 65.285 1.00 0.00 WT1 O ATOM 19952 H1 TIP3 6776 71.142 28.713 64.473 1.00 0.00 WT1 H ATOM 19953 H2 TIP3 6776 71.708 27.433 65.052 1.00 0.00 WT1 H ATOM 19954 OH2 TIP3 6777 59.686 96.595 0.023 1.00 0.00 WT1 O ATOM 19955 H1 TIP3 6777 60.417 96.078 0.362 1.00 0.00 WT1 H ATOM 19956 H2 TIP3 6777 59.270 96.963 0.802 1.00 0.00 WT1 H ATOM 19957 OH2 TIP3 6778 75.178 91.185 31.439 1.00 0.00 WT1 O ATOM 19958 H1 TIP3 6778 74.774 90.322 31.346 1.00 0.00 WT1 H ATOM 19959 H2 TIP3 6778 74.525 91.794 31.093 1.00 0.00 WT1 H ATOM 19960 OH2 TIP3 6779 29.079 95.648 -14.840 1.00 0.00 WT1 O ATOM 19961 H1 TIP3 6779 28.320 95.303 -14.371 1.00 0.00 WT1 H ATOM 19962 H2 TIP3 6779 29.467 94.883 -15.264 1.00 0.00 WT1 H ATOM 19963 OH2 TIP3 6780 29.200 1.852 -2.477 1.00 0.00 WT1 O ATOM 19964 H1 TIP3 6780 29.946 2.152 -2.996 1.00 0.00 WT1 H ATOM 19965 H2 TIP3 6780 29.472 1.981 -1.568 1.00 0.00 WT1 H ATOM 19966 OH2 TIP3 6781 77.925 31.429 36.547 1.00 0.00 WT1 O ATOM 19967 H1 TIP3 6781 78.199 30.523 36.406 1.00 0.00 WT1 H ATOM 19968 H2 TIP3 6781 77.559 31.434 37.431 1.00 0.00 WT1 H ATOM 19969 OH2 TIP3 6782 84.671 9.889 39.200 1.00 0.00 WT1 O ATOM 19970 H1 TIP3 6782 84.718 9.959 40.154 1.00 0.00 WT1 H ATOM 19971 H2 TIP3 6782 83.920 10.429 38.956 1.00 0.00 WT1 H ATOM 19972 OH2 TIP3 6783 52.099 89.633 16.706 1.00 0.00 WT1 O ATOM 19973 H1 TIP3 6783 52.964 89.904 16.396 1.00 0.00 WT1 H ATOM 19974 H2 TIP3 6783 52.099 89.853 17.637 1.00 0.00 WT1 H ATOM 19975 OH2 TIP3 6784 74.272 19.458 -2.357 1.00 0.00 WT1 O ATOM 19976 H1 TIP3 6784 74.088 19.216 -1.449 1.00 0.00 WT1 H ATOM 19977 H2 TIP3 6784 75.166 19.151 -2.511 1.00 0.00 WT1 H ATOM 19978 OH2 TIP3 6785 24.784 30.159 46.542 1.00 0.00 WT1 O ATOM 19979 H1 TIP3 6785 24.327 29.871 47.332 1.00 0.00 WT1 H ATOM 19980 H2 TIP3 6785 25.713 30.102 46.768 1.00 0.00 WT1 H ATOM 19981 OH2 TIP3 6786 75.386 48.365 25.404 1.00 0.00 WT1 O ATOM 19982 H1 TIP3 6786 74.940 47.817 24.758 1.00 0.00 WT1 H ATOM 19983 H2 TIP3 6786 74.768 48.427 26.132 1.00 0.00 WT1 H ATOM 19984 OH2 TIP3 6787 66.428 77.090 54.281 1.00 0.00 WT1 O ATOM 19985 H1 TIP3 6787 66.283 77.272 55.210 1.00 0.00 WT1 H ATOM 19986 H2 TIP3 6787 65.598 77.315 53.861 1.00 0.00 WT1 H ATOM 19987 OH2 TIP3 6788 89.978 28.152 60.238 1.00 0.00 WT1 O ATOM 19988 H1 TIP3 6788 90.237 28.086 61.157 1.00 0.00 WT1 H ATOM 19989 H2 TIP3 6788 90.649 27.659 59.765 1.00 0.00 WT1 H ATOM 19990 OH2 TIP3 6789 80.637 34.610 21.547 1.00 0.00 WT1 O ATOM 19991 H1 TIP3 6789 81.487 34.230 21.771 1.00 0.00 WT1 H ATOM 19992 H2 TIP3 6789 80.343 34.107 20.787 1.00 0.00 WT1 H ATOM 19993 OH2 TIP3 6790 77.308 65.342 -11.077 1.00 0.00 WT1 O ATOM 19994 H1 TIP3 6790 77.597 65.749 -10.261 1.00 0.00 WT1 H ATOM 19995 H2 TIP3 6790 76.836 64.556 -10.800 1.00 0.00 WT1 H ATOM 19996 OH2 TIP3 6791 81.681 9.996 66.883 1.00 0.00 WT1 O ATOM 19997 H1 TIP3 6791 80.801 9.653 67.037 1.00 0.00 WT1 H ATOM 19998 H2 TIP3 6791 82.264 9.345 67.274 1.00 0.00 WT1 H ATOM 19999 OH2 TIP3 6792 32.599 36.955 -6.011 1.00 0.00 WT1 O ATOM 20000 H1 TIP3 6792 33.187 37.377 -6.637 1.00 0.00 WT1 H ATOM 20001 H2 TIP3 6792 33.096 36.931 -5.193 1.00 0.00 WT1 H ATOM 20002 OH2 TIP3 6793 69.878 46.705 -12.874 1.00 0.00 WT1 O ATOM 20003 H1 TIP3 6793 70.691 47.128 -13.153 1.00 0.00 WT1 H ATOM 20004 H2 TIP3 6793 70.127 46.187 -12.109 1.00 0.00 WT1 H ATOM 20005 OH2 TIP3 6794 29.612 30.727 -18.701 1.00 0.00 WT1 O ATOM 20006 H1 TIP3 6794 29.963 31.295 -18.015 1.00 0.00 WT1 H ATOM 20007 H2 TIP3 6794 30.383 30.306 -19.082 1.00 0.00 WT1 H ATOM 20008 OH2 TIP3 6795 35.942 44.115 14.302 1.00 0.00 WT1 O ATOM 20009 H1 TIP3 6795 36.283 43.226 14.211 1.00 0.00 WT1 H ATOM 20010 H2 TIP3 6795 35.423 44.093 15.106 1.00 0.00 WT1 H ATOM 20011 OH2 TIP3 6798 89.730 35.243 26.759 1.00 0.00 WT1 O ATOM 20012 H1 TIP3 6798 89.129 35.963 26.948 1.00 0.00 WT1 H ATOM 20013 H2 TIP3 6798 90.114 35.466 25.911 1.00 0.00 WT1 H ATOM 20014 OH2 TIP3 6799 48.583 43.861 -16.711 1.00 0.00 WT1 O ATOM 20015 H1 TIP3 6799 49.537 43.922 -16.667 1.00 0.00 WT1 H ATOM 20016 H2 TIP3 6799 48.272 44.652 -16.271 1.00 0.00 WT1 H ATOM 20017 OH2 TIP3 6800 64.768 16.765 42.549 1.00 0.00 WT1 O ATOM 20018 H1 TIP3 6800 64.808 16.621 41.604 1.00 0.00 WT1 H ATOM 20019 H2 TIP3 6800 64.122 17.463 42.658 1.00 0.00 WT1 H ATOM 20020 OH2 TIP3 6801 24.733 69.510 -18.509 1.00 0.00 WT1 O ATOM 20021 H1 TIP3 6801 25.044 70.031 -19.249 1.00 0.00 WT1 H ATOM 20022 H2 TIP3 6801 25.509 69.042 -18.201 1.00 0.00 WT1 H ATOM 20023 OH2 TIP3 6802 55.056 33.302 12.364 1.00 0.00 WT1 O ATOM 20024 H1 TIP3 6802 54.342 32.719 12.107 1.00 0.00 WT1 H ATOM 20025 H2 TIP3 6802 54.888 33.494 13.287 1.00 0.00 WT1 H ATOM 20026 OH2 TIP3 6803 80.150 7.683 -19.537 1.00 0.00 WT1 O ATOM 20027 H1 TIP3 6803 79.792 7.388 -20.374 1.00 0.00 WT1 H ATOM 20028 H2 TIP3 6803 80.215 6.887 -19.009 1.00 0.00 WT1 H ATOM 20029 OH2 TIP3 6804 84.584 28.155 -5.019 1.00 0.00 WT1 O ATOM 20030 H1 TIP3 6804 83.999 27.469 -5.340 1.00 0.00 WT1 H ATOM 20031 H2 TIP3 6804 83.997 28.843 -4.704 1.00 0.00 WT1 H ATOM 20032 OH2 TIP3 6805 74.299 29.840 33.905 1.00 0.00 WT1 O ATOM 20033 H1 TIP3 6805 74.285 29.087 33.313 1.00 0.00 WT1 H ATOM 20034 H2 TIP3 6805 74.270 30.601 33.325 1.00 0.00 WT1 H ATOM 20035 OH2 TIP3 6806 69.405 38.270 17.615 1.00 0.00 WT1 O ATOM 20036 H1 TIP3 6806 69.029 38.906 17.007 1.00 0.00 WT1 H ATOM 20037 H2 TIP3 6806 70.065 38.765 18.102 1.00 0.00 WT1 H ATOM 20038 OH2 TIP3 6807 81.105 44.698 1.400 1.00 0.00 WT1 O ATOM 20039 H1 TIP3 6807 80.548 44.202 0.799 1.00 0.00 WT1 H ATOM 20040 H2 TIP3 6807 80.814 44.433 2.272 1.00 0.00 WT1 H ATOM 20041 OH2 TIP3 6808 75.532 16.357 -17.532 1.00 0.00 WT1 O ATOM 20042 H1 TIP3 6808 75.110 16.138 -18.363 1.00 0.00 WT1 H ATOM 20043 H2 TIP3 6808 75.395 15.585 -16.983 1.00 0.00 WT1 H ATOM 20044 OH2 TIP3 6809 86.311 86.544 4.153 1.00 0.00 WT1 O ATOM 20045 H1 TIP3 6809 85.375 86.353 4.098 1.00 0.00 WT1 H ATOM 20046 H2 TIP3 6809 86.630 85.979 4.857 1.00 0.00 WT1 H ATOM 20047 OH2 TIP3 6810 63.391 21.843 34.357 1.00 0.00 WT1 O ATOM 20048 H1 TIP3 6810 63.589 22.578 33.777 1.00 0.00 WT1 H ATOM 20049 H2 TIP3 6810 63.623 22.157 35.231 1.00 0.00 WT1 H ATOM 20050 OH2 TIP3 6811 55.195 57.428 65.638 1.00 0.00 WT1 O ATOM 20051 H1 TIP3 6811 54.687 56.641 65.835 1.00 0.00 WT1 H ATOM 20052 H2 TIP3 6811 54.781 58.117 66.158 1.00 0.00 WT1 H ATOM 20053 OH2 TIP3 6812 75.394 27.954 -4.037 1.00 0.00 WT1 O ATOM 20054 H1 TIP3 6812 74.997 28.665 -4.540 1.00 0.00 WT1 H ATOM 20055 H2 TIP3 6812 76.327 28.165 -4.018 1.00 0.00 WT1 H ATOM 20056 OH2 TIP3 6813 25.069 46.159 -19.808 1.00 0.00 WT1 O ATOM 20057 H1 TIP3 6813 25.961 46.281 -19.483 1.00 0.00 WT1 H ATOM 20058 H2 TIP3 6813 24.890 45.228 -19.676 1.00 0.00 WT1 H ATOM 20059 OH2 TIP3 6814 57.675 46.305 50.693 1.00 0.00 WT1 O ATOM 20060 H1 TIP3 6814 57.913 45.584 51.276 1.00 0.00 WT1 H ATOM 20061 H2 TIP3 6814 57.861 45.976 49.814 1.00 0.00 WT1 H ATOM 20062 OH2 TIP3 6817 58.895 89.622 20.576 1.00 0.00 WT1 O ATOM 20063 H1 TIP3 6817 59.242 89.680 21.466 1.00 0.00 WT1 H ATOM 20064 H2 TIP3 6817 59.633 89.857 20.015 1.00 0.00 WT1 H ATOM 20065 OH2 TIP3 6818 34.448 55.963 -18.913 1.00 0.00 WT1 O ATOM 20066 H1 TIP3 6818 33.518 55.788 -19.056 1.00 0.00 WT1 H ATOM 20067 H2 TIP3 6818 34.820 55.111 -18.685 1.00 0.00 WT1 H ATOM 20068 OH2 TIP3 6819 53.878 6.566 38.891 1.00 0.00 WT1 O ATOM 20069 H1 TIP3 6819 53.153 7.080 38.535 1.00 0.00 WT1 H ATOM 20070 H2 TIP3 6819 54.006 5.861 38.256 1.00 0.00 WT1 H ATOM 20071 OH2 TIP3 6820 54.908 15.957 47.242 1.00 0.00 WT1 O ATOM 20072 H1 TIP3 6820 54.946 15.007 47.348 1.00 0.00 WT1 H ATOM 20073 H2 TIP3 6820 55.679 16.172 46.718 1.00 0.00 WT1 H ATOM 20074 OH2 TIP3 6822 42.237 56.594 11.109 1.00 0.00 WT1 O ATOM 20075 H1 TIP3 6822 41.950 56.913 11.964 1.00 0.00 WT1 H ATOM 20076 H2 TIP3 6822 42.804 57.288 10.772 1.00 0.00 WT1 H ATOM 20077 OH2 TIP3 6823 33.092 40.109 -16.482 1.00 0.00 WT1 O ATOM 20078 H1 TIP3 6823 33.684 40.191 -17.230 1.00 0.00 WT1 H ATOM 20079 H2 TIP3 6823 33.583 39.593 -15.843 1.00 0.00 WT1 H ATOM 20080 OH2 TIP3 6824 56.419 21.980 62.717 1.00 0.00 WT1 O ATOM 20081 H1 TIP3 6824 56.689 22.627 63.369 1.00 0.00 WT1 H ATOM 20082 H2 TIP3 6824 57.093 21.302 62.759 1.00 0.00 WT1 H ATOM 20083 OH2 TIP3 6825 50.131 1.490 41.026 1.00 0.00 WT1 O ATOM 20084 H1 TIP3 6825 50.943 1.454 40.521 1.00 0.00 WT1 H ATOM 20085 H2 TIP3 6825 50.417 1.519 41.939 1.00 0.00 WT1 H ATOM 20086 OH2 TIP3 6826 32.844 20.863 42.559 1.00 0.00 WT1 O ATOM 20087 H1 TIP3 6826 32.365 21.488 42.016 1.00 0.00 WT1 H ATOM 20088 H2 TIP3 6826 33.248 20.261 41.934 1.00 0.00 WT1 H ATOM 20089 OH2 TIP3 6827 76.825 82.807 44.826 1.00 0.00 WT1 O ATOM 20090 H1 TIP3 6827 76.878 81.856 44.922 1.00 0.00 WT1 H ATOM 20091 H2 TIP3 6827 77.737 83.096 44.799 1.00 0.00 WT1 H ATOM 20092 OH2 TIP3 6828 81.477 45.768 7.762 1.00 0.00 WT1 O ATOM 20093 H1 TIP3 6828 82.101 45.094 8.031 1.00 0.00 WT1 H ATOM 20094 H2 TIP3 6828 80.797 45.749 8.435 1.00 0.00 WT1 H ATOM 20095 OH2 TIP3 6829 78.596 77.009 -11.942 1.00 0.00 WT1 O ATOM 20096 H1 TIP3 6829 78.641 76.096 -12.226 1.00 0.00 WT1 H ATOM 20097 H2 TIP3 6829 79.385 77.412 -12.303 1.00 0.00 WT1 H ATOM 20098 OH2 TIP3 6831 62.169 9.891 15.057 1.00 0.00 WT1 O ATOM 20099 H1 TIP3 6831 62.325 9.047 14.633 1.00 0.00 WT1 H ATOM 20100 H2 TIP3 6831 61.269 10.115 14.822 1.00 0.00 WT1 H ATOM 20101 OH2 TIP3 6832 76.791 31.366 53.389 1.00 0.00 WT1 O ATOM 20102 H1 TIP3 6832 77.238 31.507 52.554 1.00 0.00 WT1 H ATOM 20103 H2 TIP3 6832 76.342 30.527 53.281 1.00 0.00 WT1 H ATOM 20104 OH2 TIP3 6833 72.293 53.430 12.109 1.00 0.00 WT1 O ATOM 20105 H1 TIP3 6833 71.624 52.919 11.653 1.00 0.00 WT1 H ATOM 20106 H2 TIP3 6833 71.888 53.668 12.942 1.00 0.00 WT1 H ATOM 20107 OH2 TIP3 6834 40.034 30.355 -7.277 1.00 0.00 WT1 O ATOM 20108 H1 TIP3 6834 40.659 29.739 -6.894 1.00 0.00 WT1 H ATOM 20109 H2 TIP3 6834 39.203 30.153 -6.847 1.00 0.00 WT1 H ATOM 20110 OH2 TIP3 6836 46.953 20.758 -2.943 1.00 0.00 WT1 O ATOM 20111 H1 TIP3 6836 46.262 21.333 -2.614 1.00 0.00 WT1 H ATOM 20112 H2 TIP3 6836 47.741 21.039 -2.477 1.00 0.00 WT1 H ATOM 20113 OH2 TIP3 6837 44.232 10.813 46.226 1.00 0.00 WT1 O ATOM 20114 H1 TIP3 6837 43.657 10.526 45.516 1.00 0.00 WT1 H ATOM 20115 H2 TIP3 6837 44.264 11.766 46.138 1.00 0.00 WT1 H ATOM 20116 OH2 TIP3 6838 75.269 51.408 0.177 1.00 0.00 WT1 O ATOM 20117 H1 TIP3 6838 74.939 52.255 0.477 1.00 0.00 WT1 H ATOM 20118 H2 TIP3 6838 74.857 50.770 0.760 1.00 0.00 WT1 H ATOM 20119 OH2 TIP3 6839 45.690 26.458 54.257 1.00 0.00 WT1 O ATOM 20120 H1 TIP3 6839 45.612 27.406 54.360 1.00 0.00 WT1 H ATOM 20121 H2 TIP3 6839 44.787 26.140 54.274 1.00 0.00 WT1 H ATOM 20122 OH2 TIP3 6840 85.649 68.538 -17.353 1.00 0.00 WT1 O ATOM 20123 H1 TIP3 6840 85.422 69.372 -17.765 1.00 0.00 WT1 H ATOM 20124 H2 TIP3 6840 85.796 68.757 -16.433 1.00 0.00 WT1 H ATOM 20125 OH2 TIP3 6841 60.727 47.267 64.803 1.00 0.00 WT1 O ATOM 20126 H1 TIP3 6841 61.099 47.387 65.676 1.00 0.00 WT1 H ATOM 20127 H2 TIP3 6841 61.268 46.586 64.403 1.00 0.00 WT1 H ATOM 20128 OH2 TIP3 6842 52.196 18.614 22.326 1.00 0.00 WT1 O ATOM 20129 H1 TIP3 6842 51.623 18.988 22.995 1.00 0.00 WT1 H ATOM 20130 H2 TIP3 6842 51.893 19.005 21.506 1.00 0.00 WT1 H ATOM 20131 OH2 TIP3 6843 84.495 11.154 4.274 1.00 0.00 WT1 O ATOM 20132 H1 TIP3 6843 84.432 10.259 4.609 1.00 0.00 WT1 H ATOM 20133 H2 TIP3 6843 84.345 11.069 3.333 1.00 0.00 WT1 H ATOM 20134 OH2 TIP3 6844 24.688 95.151 39.140 1.00 0.00 WT1 O ATOM 20135 H1 TIP3 6844 25.539 95.289 38.724 1.00 0.00 WT1 H ATOM 20136 H2 TIP3 6844 24.081 95.029 38.410 1.00 0.00 WT1 H ATOM 20137 OH2 TIP3 6845 88.506 33.355 23.885 1.00 0.00 WT1 O ATOM 20138 H1 TIP3 6845 89.176 33.822 24.384 1.00 0.00 WT1 H ATOM 20139 H2 TIP3 6845 87.903 33.019 24.549 1.00 0.00 WT1 H ATOM 20140 OH2 TIP3 6846 42.070 69.213 10.691 1.00 0.00 WT1 O ATOM 20141 H1 TIP3 6846 42.659 69.950 10.532 1.00 0.00 WT1 H ATOM 20142 H2 TIP3 6846 42.649 68.455 10.765 1.00 0.00 WT1 H ATOM 20143 OH2 TIP3 6847 90.340 9.546 45.996 1.00 0.00 WT1 O ATOM 20144 H1 TIP3 6847 90.578 8.958 46.713 1.00 0.00 WT1 H ATOM 20145 H2 TIP3 6847 90.557 9.056 45.203 1.00 0.00 WT1 H ATOM 20146 OH2 TIP3 6848 65.737 34.657 11.603 1.00 0.00 WT1 O ATOM 20147 H1 TIP3 6848 64.997 34.592 10.998 1.00 0.00 WT1 H ATOM 20148 H2 TIP3 6848 65.431 34.233 12.404 1.00 0.00 WT1 H ATOM 20149 OH2 TIP3 6849 54.264 52.735 55.403 1.00 0.00 WT1 O ATOM 20150 H1 TIP3 6849 54.264 53.115 54.525 1.00 0.00 WT1 H ATOM 20151 H2 TIP3 6849 53.839 53.396 55.950 1.00 0.00 WT1 H ATOM 20152 OH2 TIP3 6850 53.124 58.914 67.081 1.00 0.00 WT1 O ATOM 20153 H1 TIP3 6850 52.618 58.772 66.281 1.00 0.00 WT1 H ATOM 20154 H2 TIP3 6850 52.482 59.226 67.718 1.00 0.00 WT1 H ATOM 20155 OH2 TIP3 6851 88.926 34.035 60.787 1.00 0.00 WT1 O ATOM 20156 H1 TIP3 6851 88.554 33.763 61.626 1.00 0.00 WT1 H ATOM 20157 H2 TIP3 6851 89.814 34.323 61.000 1.00 0.00 WT1 H ATOM 20158 OH2 TIP3 6852 34.253 53.093 6.570 1.00 0.00 WT1 O ATOM 20159 H1 TIP3 6852 34.300 54.049 6.557 1.00 0.00 WT1 H ATOM 20160 H2 TIP3 6852 34.238 52.866 7.500 1.00 0.00 WT1 H ATOM 20161 OH2 TIP3 6853 75.293 95.949 16.770 1.00 0.00 WT1 O ATOM 20162 H1 TIP3 6853 74.740 95.220 16.491 1.00 0.00 WT1 H ATOM 20163 H2 TIP3 6853 76.152 95.756 16.394 1.00 0.00 WT1 H ATOM 20164 OH2 TIP3 6854 66.588 20.567 18.817 1.00 0.00 WT1 O ATOM 20165 H1 TIP3 6854 65.856 19.971 18.976 1.00 0.00 WT1 H ATOM 20166 H2 TIP3 6854 66.276 21.418 19.123 1.00 0.00 WT1 H ATOM 20167 OH2 TIP3 6855 51.478 57.717 10.728 1.00 0.00 WT1 O ATOM 20168 H1 TIP3 6855 52.137 58.099 10.148 1.00 0.00 WT1 H ATOM 20169 H2 TIP3 6855 51.982 57.206 11.361 1.00 0.00 WT1 H ATOM 20170 OH2 TIP3 6857 21.932 50.567 34.792 1.00 0.00 WT1 O ATOM 20171 H1 TIP3 6857 21.995 50.344 33.863 1.00 0.00 WT1 H ATOM 20172 H2 TIP3 6857 21.038 50.329 35.036 1.00 0.00 WT1 H ATOM 20173 OH2 TIP3 6858 68.437 18.530 29.979 1.00 0.00 WT1 O ATOM 20174 H1 TIP3 6858 68.106 18.918 29.169 1.00 0.00 WT1 H ATOM 20175 H2 TIP3 6858 69.209 19.052 30.197 1.00 0.00 WT1 H ATOM 20176 OH2 TIP3 6859 79.869 69.885 40.480 1.00 0.00 WT1 O ATOM 20177 H1 TIP3 6859 80.633 69.347 40.691 1.00 0.00 WT1 H ATOM 20178 H2 TIP3 6859 80.080 70.280 39.634 1.00 0.00 WT1 H ATOM 20179 OH2 TIP3 6860 76.911 28.586 42.149 1.00 0.00 WT1 O ATOM 20180 H1 TIP3 6860 76.411 27.783 42.293 1.00 0.00 WT1 H ATOM 20181 H2 TIP3 6860 77.432 28.408 41.366 1.00 0.00 WT1 H ATOM 20182 OH2 TIP3 6861 73.411 53.361 20.251 1.00 0.00 WT1 O ATOM 20183 H1 TIP3 6861 72.987 53.211 19.406 1.00 0.00 WT1 H ATOM 20184 H2 TIP3 6861 72.813 53.944 20.719 1.00 0.00 WT1 H ATOM 20185 OH2 TIP3 6862 76.537 37.669 38.665 1.00 0.00 WT1 O ATOM 20186 H1 TIP3 6862 76.832 38.251 37.964 1.00 0.00 WT1 H ATOM 20187 H2 TIP3 6862 75.866 37.123 38.255 1.00 0.00 WT1 H ATOM 20188 OH2 TIP3 6863 40.716 91.105 -18.150 1.00 0.00 WT1 O ATOM 20189 H1 TIP3 6863 41.154 90.256 -18.214 1.00 0.00 WT1 H ATOM 20190 H2 TIP3 6863 39.791 90.889 -18.033 1.00 0.00 WT1 H ATOM 20191 OH2 TIP3 6864 59.494 17.369 8.014 1.00 0.00 WT1 O ATOM 20192 H1 TIP3 6864 59.389 16.419 7.962 1.00 0.00 WT1 H ATOM 20193 H2 TIP3 6864 60.438 17.510 7.945 1.00 0.00 WT1 H ATOM 20194 OH2 TIP3 6865 84.069 63.587 32.324 1.00 0.00 WT1 O ATOM 20195 H1 TIP3 6865 84.031 63.685 31.373 1.00 0.00 WT1 H ATOM 20196 H2 TIP3 6865 84.722 62.903 32.470 1.00 0.00 WT1 H ATOM 20197 OH2 TIP3 6866 53.195 72.530 2.720 1.00 0.00 WT1 O ATOM 20198 H1 TIP3 6866 53.738 71.792 2.997 1.00 0.00 WT1 H ATOM 20199 H2 TIP3 6866 53.240 73.147 3.450 1.00 0.00 WT1 H ATOM 20200 OH2 TIP3 6867 30.575 3.371 31.633 1.00 0.00 WT1 O ATOM 20201 H1 TIP3 6867 29.641 3.352 31.842 1.00 0.00 WT1 H ATOM 20202 H2 TIP3 6867 30.620 3.787 30.772 1.00 0.00 WT1 H ATOM 20203 OH2 TIP3 6868 75.777 34.422 58.899 1.00 0.00 WT1 O ATOM 20204 H1 TIP3 6868 76.726 34.544 58.871 1.00 0.00 WT1 H ATOM 20205 H2 TIP3 6868 75.517 34.761 59.755 1.00 0.00 WT1 H ATOM 20206 OH2 TIP3 6869 20.717 47.450 17.668 1.00 0.00 WT1 O ATOM 20207 H1 TIP3 6869 20.787 48.105 18.362 1.00 0.00 WT1 H ATOM 20208 H2 TIP3 6869 20.384 47.935 16.913 1.00 0.00 WT1 H ATOM 20209 OH2 TIP3 6870 31.216 0.966 63.933 1.00 0.00 WT1 O ATOM 20210 H1 TIP3 6870 30.581 0.903 63.220 1.00 0.00 WT1 H ATOM 20211 H2 TIP3 6870 31.928 0.382 63.672 1.00 0.00 WT1 H ATOM 20212 OH2 TIP3 6872 36.785 26.169 20.693 1.00 0.00 WT1 O ATOM 20213 H1 TIP3 6872 37.472 25.922 20.073 1.00 0.00 WT1 H ATOM 20214 H2 TIP3 6872 35.977 25.840 20.299 1.00 0.00 WT1 H ATOM 20215 OH2 TIP3 6873 62.389 46.575 15.824 1.00 0.00 WT1 O ATOM 20216 H1 TIP3 6873 62.384 47.382 16.338 1.00 0.00 WT1 H ATOM 20217 H2 TIP3 6873 61.474 46.295 15.808 1.00 0.00 WT1 H ATOM 20218 OH2 TIP3 6874 21.403 79.940 0.514 1.00 0.00 WT1 O ATOM 20219 H1 TIP3 6874 21.967 79.754 -0.238 1.00 0.00 WT1 H ATOM 20220 H2 TIP3 6874 21.423 80.893 0.598 1.00 0.00 WT1 H ATOM 20221 OH2 TIP3 6875 22.862 46.599 15.255 1.00 0.00 WT1 O ATOM 20222 H1 TIP3 6875 22.069 46.585 15.791 1.00 0.00 WT1 H ATOM 20223 H2 TIP3 6875 23.319 45.789 15.482 1.00 0.00 WT1 H ATOM 20224 OH2 TIP3 6878 50.284 16.061 64.496 1.00 0.00 WT1 O ATOM 20225 H1 TIP3 6878 50.990 16.205 63.866 1.00 0.00 WT1 H ATOM 20226 H2 TIP3 6878 49.526 16.502 64.112 1.00 0.00 WT1 H ATOM 20227 OH2 TIP3 6879 57.833 25.557 66.703 1.00 0.00 WT1 O ATOM 20228 H1 TIP3 6879 57.710 26.120 65.939 1.00 0.00 WT1 H ATOM 20229 H2 TIP3 6879 57.849 24.668 66.347 1.00 0.00 WT1 H ATOM 20230 OH2 TIP3 6880 55.932 7.357 45.911 1.00 0.00 WT1 O ATOM 20231 H1 TIP3 6880 56.151 7.518 46.829 1.00 0.00 WT1 H ATOM 20232 H2 TIP3 6880 55.335 6.609 45.935 1.00 0.00 WT1 H ATOM 20233 OH2 TIP3 6883 27.673 85.157 42.998 1.00 0.00 WT1 O ATOM 20234 H1 TIP3 6883 27.574 84.211 43.108 1.00 0.00 WT1 H ATOM 20235 H2 TIP3 6883 27.770 85.280 42.054 1.00 0.00 WT1 H ATOM 20236 OH2 TIP3 6884 34.443 79.115 40.525 1.00 0.00 WT1 O ATOM 20237 H1 TIP3 6884 34.450 78.185 40.300 1.00 0.00 WT1 H ATOM 20238 H2 TIP3 6884 35.252 79.248 41.019 1.00 0.00 WT1 H ATOM 20239 OH2 TIP3 6886 74.359 39.531 28.637 1.00 0.00 WT1 O ATOM 20240 H1 TIP3 6886 73.486 39.924 28.628 1.00 0.00 WT1 H ATOM 20241 H2 TIP3 6886 74.240 38.673 28.230 1.00 0.00 WT1 H ATOM 20242 OH2 TIP3 6887 77.461 55.179 1.531 1.00 0.00 WT1 O ATOM 20243 H1 TIP3 6887 76.619 54.947 1.922 1.00 0.00 WT1 H ATOM 20244 H2 TIP3 6887 77.943 55.611 2.236 1.00 0.00 WT1 H ATOM 20245 OH2 TIP3 6888 55.012 16.568 3.213 1.00 0.00 WT1 O ATOM 20246 H1 TIP3 6888 54.872 17.466 2.912 1.00 0.00 WT1 H ATOM 20247 H2 TIP3 6888 55.963 16.482 3.276 1.00 0.00 WT1 H ATOM 20248 OH2 TIP3 6889 39.637 55.595 12.976 1.00 0.00 WT1 O ATOM 20249 H1 TIP3 6889 40.297 55.928 13.584 1.00 0.00 WT1 H ATOM 20250 H2 TIP3 6889 39.033 55.097 13.527 1.00 0.00 WT1 H ATOM 20251 OH2 TIP3 6890 76.326 50.928 21.683 1.00 0.00 WT1 O ATOM 20252 H1 TIP3 6890 76.611 51.792 21.980 1.00 0.00 WT1 H ATOM 20253 H2 TIP3 6890 76.867 50.313 22.178 1.00 0.00 WT1 H ATOM 20254 OH2 TIP3 6891 48.492 76.953 -2.000 1.00 0.00 WT1 O ATOM 20255 H1 TIP3 6891 49.209 76.517 -2.461 1.00 0.00 WT1 H ATOM 20256 H2 TIP3 6891 47.731 76.826 -2.566 1.00 0.00 WT1 H ATOM 20257 OH2 TIP3 6892 44.505 4.205 -12.210 1.00 0.00 WT1 O ATOM 20258 H1 TIP3 6892 44.634 5.078 -12.580 1.00 0.00 WT1 H ATOM 20259 H2 TIP3 6892 45.373 3.802 -12.239 1.00 0.00 WT1 H ATOM 20260 OH2 TIP3 6893 58.449 20.568 62.103 1.00 0.00 WT1 O ATOM 20261 H1 TIP3 6893 58.974 21.022 61.443 1.00 0.00 WT1 H ATOM 20262 H2 TIP3 6893 57.798 20.080 61.598 1.00 0.00 WT1 H ATOM 20263 OH2 TIP3 6894 59.764 45.550 15.523 1.00 0.00 WT1 O ATOM 20264 H1 TIP3 6894 59.401 45.885 14.703 1.00 0.00 WT1 H ATOM 20265 H2 TIP3 6894 59.573 44.612 15.505 1.00 0.00 WT1 H ATOM 20266 OH2 TIP3 6895 22.922 23.036 -19.346 1.00 0.00 WT1 O ATOM 20267 H1 TIP3 6895 23.682 22.750 -18.838 1.00 0.00 WT1 H ATOM 20268 H2 TIP3 6895 22.554 23.760 -18.839 1.00 0.00 WT1 H ATOM 20269 OH2 TIP3 6896 35.583 36.656 53.293 1.00 0.00 WT1 O ATOM 20270 H1 TIP3 6896 34.714 36.410 53.610 1.00 0.00 WT1 H ATOM 20271 H2 TIP3 6896 35.951 35.843 52.947 1.00 0.00 WT1 H ATOM 20272 OH2 TIP3 6897 72.459 48.141 31.594 1.00 0.00 WT1 O ATOM 20273 H1 TIP3 6897 71.588 48.435 31.329 1.00 0.00 WT1 H ATOM 20274 H2 TIP3 6897 72.915 48.943 31.851 1.00 0.00 WT1 H ATOM 20275 OH2 TIP3 6898 39.620 40.424 22.325 1.00 0.00 WT1 O ATOM 20276 H1 TIP3 6898 39.932 40.781 23.157 1.00 0.00 WT1 H ATOM 20277 H2 TIP3 6898 40.164 39.651 22.177 1.00 0.00 WT1 H ATOM 20278 OH2 TIP3 6899 40.923 50.462 54.366 1.00 0.00 WT1 O ATOM 20279 H1 TIP3 6899 41.515 50.006 53.767 1.00 0.00 WT1 H ATOM 20280 H2 TIP3 6899 40.657 51.248 53.889 1.00 0.00 WT1 H ATOM 20281 OH2 TIP3 6900 80.753 40.334 23.275 1.00 0.00 WT1 O ATOM 20282 H1 TIP3 6900 81.010 39.680 23.924 1.00 0.00 WT1 H ATOM 20283 H2 TIP3 6900 79.909 40.026 22.943 1.00 0.00 WT1 H ATOM 20284 OH2 TIP3 6902 54.581 50.127 24.819 1.00 0.00 WT1 O ATOM 20285 H1 TIP3 6902 54.408 50.326 23.899 1.00 0.00 WT1 H ATOM 20286 H2 TIP3 6902 55.506 49.881 24.842 1.00 0.00 WT1 H ATOM 20287 OH2 TIP3 6903 87.770 50.921 22.663 1.00 0.00 WT1 O ATOM 20288 H1 TIP3 6903 86.853 51.056 22.423 1.00 0.00 WT1 H ATOM 20289 H2 TIP3 6903 88.174 50.561 21.873 1.00 0.00 WT1 H ATOM 20290 OH2 TIP3 6905 73.122 91.430 55.290 1.00 0.00 WT1 O ATOM 20291 H1 TIP3 6905 72.262 91.030 55.167 1.00 0.00 WT1 H ATOM 20292 H2 TIP3 6905 73.718 90.877 54.785 1.00 0.00 WT1 H ATOM 20293 OH2 TIP3 6906 57.890 22.854 50.022 1.00 0.00 WT1 O ATOM 20294 H1 TIP3 6906 57.590 23.496 49.378 1.00 0.00 WT1 H ATOM 20295 H2 TIP3 6906 57.146 22.740 50.612 1.00 0.00 WT1 H ATOM 20296 OH2 TIP3 6907 24.727 65.059 28.665 1.00 0.00 WT1 O ATOM 20297 H1 TIP3 6907 25.449 64.536 29.014 1.00 0.00 WT1 H ATOM 20298 H2 TIP3 6907 24.472 64.609 27.860 1.00 0.00 WT1 H ATOM 20299 OH2 TIP3 6908 62.887 34.688 6.716 1.00 0.00 WT1 O ATOM 20300 H1 TIP3 6908 63.100 35.603 6.896 1.00 0.00 WT1 H ATOM 20301 H2 TIP3 6908 62.015 34.565 7.091 1.00 0.00 WT1 H ATOM 20302 OH2 TIP3 6909 61.946 87.420 -7.155 1.00 0.00 WT1 O ATOM 20303 H1 TIP3 6909 61.202 86.981 -6.742 1.00 0.00 WT1 H ATOM 20304 H2 TIP3 6909 62.584 87.526 -6.450 1.00 0.00 WT1 H ATOM 20305 OH2 TIP3 6910 78.156 75.457 -17.780 1.00 0.00 WT1 O ATOM 20306 H1 TIP3 6910 78.783 74.868 -18.201 1.00 0.00 WT1 H ATOM 20307 H2 TIP3 6910 78.276 76.295 -18.228 1.00 0.00 WT1 H ATOM 20308 OH2 TIP3 6911 32.398 81.304 0.468 1.00 0.00 WT1 O ATOM 20309 H1 TIP3 6911 33.204 81.387 -0.041 1.00 0.00 WT1 H ATOM 20310 H2 TIP3 6911 32.112 80.402 0.321 1.00 0.00 WT1 H ATOM 20311 OH2 TIP3 6912 54.677 9.912 33.007 1.00 0.00 WT1 O ATOM 20312 H1 TIP3 6912 54.304 10.268 32.200 1.00 0.00 WT1 H ATOM 20313 H2 TIP3 6912 53.995 9.335 33.352 1.00 0.00 WT1 H ATOM 20314 OH2 TIP3 6913 77.708 72.834 9.364 1.00 0.00 WT1 O ATOM 20315 H1 TIP3 6913 77.134 73.231 10.020 1.00 0.00 WT1 H ATOM 20316 H2 TIP3 6913 77.120 72.323 8.808 1.00 0.00 WT1 H ATOM 20317 OH2 TIP3 6914 70.385 75.687 38.962 1.00 0.00 WT1 O ATOM 20318 H1 TIP3 6914 70.872 75.411 38.185 1.00 0.00 WT1 H ATOM 20319 H2 TIP3 6914 69.795 74.956 39.147 1.00 0.00 WT1 H ATOM 20320 OH2 TIP3 6915 43.862 63.150 -14.696 1.00 0.00 WT1 O ATOM 20321 H1 TIP3 6915 43.866 62.689 -13.857 1.00 0.00 WT1 H ATOM 20322 H2 TIP3 6915 43.926 64.076 -14.462 1.00 0.00 WT1 H ATOM 20323 OH2 TIP3 6916 46.782 29.433 -10.722 1.00 0.00 WT1 O ATOM 20324 H1 TIP3 6916 46.979 28.786 -10.045 1.00 0.00 WT1 H ATOM 20325 H2 TIP3 6916 47.165 30.247 -10.396 1.00 0.00 WT1 H ATOM 20326 OH2 TIP3 6917 59.210 14.336 41.890 1.00 0.00 WT1 O ATOM 20327 H1 TIP3 6917 58.838 13.870 42.639 1.00 0.00 WT1 H ATOM 20328 H2 TIP3 6917 58.929 15.243 42.008 1.00 0.00 WT1 H ATOM 20329 OH2 TIP3 6919 22.534 33.097 -17.765 1.00 0.00 WT1 O ATOM 20330 H1 TIP3 6919 23.258 33.554 -18.193 1.00 0.00 WT1 H ATOM 20331 H2 TIP3 6919 22.924 32.710 -16.981 1.00 0.00 WT1 H ATOM 20332 OH2 TIP3 6920 68.037 57.746 16.009 1.00 0.00 WT1 O ATOM 20333 H1 TIP3 6920 67.451 58.360 16.451 1.00 0.00 WT1 H ATOM 20334 H2 TIP3 6920 67.481 57.302 15.368 1.00 0.00 WT1 H ATOM 20335 OH2 TIP3 6921 86.676 55.031 20.546 1.00 0.00 WT1 O ATOM 20336 H1 TIP3 6921 86.147 55.539 21.162 1.00 0.00 WT1 H ATOM 20337 H2 TIP3 6921 86.267 54.166 20.535 1.00 0.00 WT1 H ATOM 20338 OH2 TIP3 6922 36.439 43.137 4.325 1.00 0.00 WT1 O ATOM 20339 H1 TIP3 6922 35.558 42.786 4.452 1.00 0.00 WT1 H ATOM 20340 H2 TIP3 6922 36.869 42.505 3.748 1.00 0.00 WT1 H ATOM 20341 OH2 TIP3 6923 31.442 51.381 14.030 1.00 0.00 WT1 O ATOM 20342 H1 TIP3 6923 32.376 51.552 13.905 1.00 0.00 WT1 H ATOM 20343 H2 TIP3 6923 31.407 50.769 14.765 1.00 0.00 WT1 H ATOM 20344 OH2 TIP3 6924 37.729 34.280 21.288 1.00 0.00 WT1 O ATOM 20345 H1 TIP3 6924 38.038 35.180 21.390 1.00 0.00 WT1 H ATOM 20346 H2 TIP3 6924 37.981 34.039 20.396 1.00 0.00 WT1 H ATOM 20347 OH2 TIP3 6925 22.168 64.861 52.808 1.00 0.00 WT1 O ATOM 20348 H1 TIP3 6925 22.935 65.329 53.138 1.00 0.00 WT1 H ATOM 20349 H2 TIP3 6925 21.570 65.553 52.524 1.00 0.00 WT1 H ATOM 20350 OH2 TIP3 6927 86.124 51.099 -4.580 1.00 0.00 WT1 O ATOM 20351 H1 TIP3 6927 86.661 50.379 -4.912 1.00 0.00 WT1 H ATOM 20352 H2 TIP3 6927 85.532 50.686 -3.951 1.00 0.00 WT1 H ATOM 20353 OH2 TIP3 6928 67.155 82.911 41.172 1.00 0.00 WT1 O ATOM 20354 H1 TIP3 6928 66.445 83.548 41.094 1.00 0.00 WT1 H ATOM 20355 H2 TIP3 6928 66.850 82.291 41.834 1.00 0.00 WT1 H ATOM 20356 OH2 TIP3 6929 82.828 48.121 63.311 1.00 0.00 WT1 O ATOM 20357 H1 TIP3 6929 82.287 48.480 64.014 1.00 0.00 WT1 H ATOM 20358 H2 TIP3 6929 83.497 48.789 63.158 1.00 0.00 WT1 H ATOM 20359 OH2 TIP3 6930 86.849 26.468 42.456 1.00 0.00 WT1 O ATOM 20360 H1 TIP3 6930 86.099 26.131 42.946 1.00 0.00 WT1 H ATOM 20361 H2 TIP3 6930 87.064 27.296 42.887 1.00 0.00 WT1 H ATOM 20362 OH2 TIP3 6931 38.522 68.641 37.648 1.00 0.00 WT1 O ATOM 20363 H1 TIP3 6931 38.613 69.592 37.706 1.00 0.00 WT1 H ATOM 20364 H2 TIP3 6931 39.357 68.341 37.290 1.00 0.00 WT1 H ATOM 20365 OH2 TIP3 6932 30.271 21.511 51.860 1.00 0.00 WT1 O ATOM 20366 H1 TIP3 6932 30.728 21.567 51.021 1.00 0.00 WT1 H ATOM 20367 H2 TIP3 6932 30.921 21.785 52.507 1.00 0.00 WT1 H ATOM 20368 OH2 TIP3 6933 35.393 28.170 35.739 1.00 0.00 WT1 O ATOM 20369 H1 TIP3 6933 36.335 28.336 35.719 1.00 0.00 WT1 H ATOM 20370 H2 TIP3 6933 35.245 27.729 36.575 1.00 0.00 WT1 H ATOM 20371 OH2 TIP3 6934 20.791 43.694 41.684 1.00 0.00 WT1 O ATOM 20372 H1 TIP3 6934 21.332 43.738 42.472 1.00 0.00 WT1 H ATOM 20373 H2 TIP3 6934 20.361 44.548 41.640 1.00 0.00 WT1 H ATOM 20374 OH2 TIP3 6935 85.409 26.948 56.171 1.00 0.00 WT1 O ATOM 20375 H1 TIP3 6935 85.516 26.462 55.353 1.00 0.00 WT1 H ATOM 20376 H2 TIP3 6935 84.462 26.987 56.306 1.00 0.00 WT1 H ATOM 20377 OH2 TIP3 6936 46.578 68.274 -14.511 1.00 0.00 WT1 O ATOM 20378 H1 TIP3 6936 46.205 67.411 -14.689 1.00 0.00 WT1 H ATOM 20379 H2 TIP3 6936 45.826 68.866 -14.516 1.00 0.00 WT1 H ATOM 20380 OH2 TIP3 6937 40.945 88.339 44.410 1.00 0.00 WT1 O ATOM 20381 H1 TIP3 6937 40.349 88.284 43.663 1.00 0.00 WT1 H ATOM 20382 H2 TIP3 6937 41.539 87.597 44.299 1.00 0.00 WT1 H ATOM 20383 OH2 TIP3 6938 26.428 75.204 -17.048 1.00 0.00 WT1 O ATOM 20384 H1 TIP3 6938 27.180 75.039 -17.616 1.00 0.00 WT1 H ATOM 20385 H2 TIP3 6938 26.287 74.376 -16.589 1.00 0.00 WT1 H ATOM 20386 OH2 TIP3 6940 76.070 66.257 41.006 1.00 0.00 WT1 O ATOM 20387 H1 TIP3 6940 75.634 67.057 41.301 1.00 0.00 WT1 H ATOM 20388 H2 TIP3 6940 76.568 66.526 40.234 1.00 0.00 WT1 H ATOM 20389 OH2 TIP3 6941 62.032 26.396 34.863 1.00 0.00 WT1 O ATOM 20390 H1 TIP3 6941 62.935 26.128 34.693 1.00 0.00 WT1 H ATOM 20391 H2 TIP3 6941 61.661 26.556 33.995 1.00 0.00 WT1 H ATOM 20392 OH2 TIP3 6943 27.171 52.199 15.139 1.00 0.00 WT1 O ATOM 20393 H1 TIP3 6943 27.153 53.125 14.899 1.00 0.00 WT1 H ATOM 20394 H2 TIP3 6943 27.901 52.125 15.754 1.00 0.00 WT1 H ATOM 20395 OH2 TIP3 6944 37.379 6.542 -0.935 1.00 0.00 WT1 O ATOM 20396 H1 TIP3 6944 37.594 6.926 -0.085 1.00 0.00 WT1 H ATOM 20397 H2 TIP3 6944 37.995 5.815 -1.032 1.00 0.00 WT1 H ATOM 20398 OH2 TIP3 6945 85.630 7.045 36.842 1.00 0.00 WT1 O ATOM 20399 H1 TIP3 6945 85.420 6.111 36.853 1.00 0.00 WT1 H ATOM 20400 H2 TIP3 6945 85.130 7.395 36.105 1.00 0.00 WT1 H ATOM 20401 OH2 TIP3 6946 80.110 6.291 35.094 1.00 0.00 WT1 O ATOM 20402 H1 TIP3 6946 80.355 5.463 34.680 1.00 0.00 WT1 H ATOM 20403 H2 TIP3 6946 79.374 6.612 34.573 1.00 0.00 WT1 H ATOM 20404 OH2 TIP3 6947 28.164 40.036 67.042 1.00 0.00 WT1 O ATOM 20405 H1 TIP3 6947 27.468 39.860 67.675 1.00 0.00 WT1 H ATOM 20406 H2 TIP3 6947 28.207 39.243 66.507 1.00 0.00 WT1 H ATOM 20407 OH2 TIP3 6949 84.714 61.480 17.780 1.00 0.00 WT1 O ATOM 20408 H1 TIP3 6949 85.293 62.026 17.248 1.00 0.00 WT1 H ATOM 20409 H2 TIP3 6949 84.977 61.661 18.683 1.00 0.00 WT1 H ATOM 20410 OH2 TIP3 6950 75.104 51.327 61.734 1.00 0.00 WT1 O ATOM 20411 H1 TIP3 6950 75.645 52.034 62.084 1.00 0.00 WT1 H ATOM 20412 H2 TIP3 6950 75.229 50.602 62.347 1.00 0.00 WT1 H ATOM 20413 OH2 TIP3 6951 34.190 42.006 46.786 1.00 0.00 WT1 O ATOM 20414 H1 TIP3 6951 33.644 41.321 46.400 1.00 0.00 WT1 H ATOM 20415 H2 TIP3 6951 33.567 42.653 47.116 1.00 0.00 WT1 H ATOM 20416 OH2 TIP3 6952 47.063 62.701 48.512 1.00 0.00 WT1 O ATOM 20417 H1 TIP3 6952 47.426 62.215 47.771 1.00 0.00 WT1 H ATOM 20418 H2 TIP3 6952 47.065 63.614 48.225 1.00 0.00 WT1 H ATOM 20419 OH2 TIP3 6953 63.106 41.425 60.566 1.00 0.00 WT1 O ATOM 20420 H1 TIP3 6953 62.405 41.198 59.955 1.00 0.00 WT1 H ATOM 20421 H2 TIP3 6953 63.877 41.548 60.013 1.00 0.00 WT1 H ATOM 20422 OH2 TIP3 6954 39.226 63.577 -0.182 1.00 0.00 WT1 O ATOM 20423 H1 TIP3 6954 38.713 64.355 0.036 1.00 0.00 WT1 H ATOM 20424 H2 TIP3 6954 38.804 63.223 -0.965 1.00 0.00 WT1 H ATOM 20425 OH2 TIP3 6955 73.369 86.084 21.967 1.00 0.00 WT1 O ATOM 20426 H1 TIP3 6955 73.389 85.171 21.679 1.00 0.00 WT1 H ATOM 20427 H2 TIP3 6955 72.445 86.328 21.927 1.00 0.00 WT1 H ATOM 20428 OH2 TIP3 6957 42.796 37.378 -12.273 1.00 0.00 WT1 O ATOM 20429 H1 TIP3 6957 42.118 37.525 -11.613 1.00 0.00 WT1 H ATOM 20430 H2 TIP3 6957 43.528 37.926 -11.992 1.00 0.00 WT1 H ATOM 20431 OH2 TIP3 6958 30.347 26.566 16.642 1.00 0.00 WT1 O ATOM 20432 H1 TIP3 6958 30.907 27.015 16.008 1.00 0.00 WT1 H ATOM 20433 H2 TIP3 6958 30.222 25.691 16.274 1.00 0.00 WT1 H ATOM 20434 OH2 TIP3 6959 84.579 32.710 24.043 1.00 0.00 WT1 O ATOM 20435 H1 TIP3 6959 84.477 33.631 24.281 1.00 0.00 WT1 H ATOM 20436 H2 TIP3 6959 85.203 32.717 23.317 1.00 0.00 WT1 H ATOM 20437 OH2 TIP3 6963 73.075 19.872 2.669 1.00 0.00 WT1 O ATOM 20438 H1 TIP3 6963 72.666 20.586 2.180 1.00 0.00 WT1 H ATOM 20439 H2 TIP3 6963 72.347 19.436 3.112 1.00 0.00 WT1 H ATOM 20440 OH2 TIP3 6964 38.583 47.206 56.302 1.00 0.00 WT1 O ATOM 20441 H1 TIP3 6964 38.229 46.376 55.982 1.00 0.00 WT1 H ATOM 20442 H2 TIP3 6964 38.580 47.117 57.255 1.00 0.00 WT1 H ATOM 20443 OH2 TIP3 6965 41.729 59.285 57.081 1.00 0.00 WT1 O ATOM 20444 H1 TIP3 6965 41.362 58.405 57.168 1.00 0.00 WT1 H ATOM 20445 H2 TIP3 6965 41.177 59.712 56.426 1.00 0.00 WT1 H ATOM 20446 OH2 TIP3 6967 27.851 44.213 60.624 1.00 0.00 WT1 O ATOM 20447 H1 TIP3 6967 27.871 45.015 61.146 1.00 0.00 WT1 H ATOM 20448 H2 TIP3 6967 28.657 43.754 60.859 1.00 0.00 WT1 H ATOM 20449 OH2 TIP3 6968 43.072 81.900 30.429 1.00 0.00 WT1 O ATOM 20450 H1 TIP3 6968 44.026 81.955 30.481 1.00 0.00 WT1 H ATOM 20451 H2 TIP3 6968 42.845 82.400 29.644 1.00 0.00 WT1 H ATOM 20452 OH2 TIP3 6969 57.840 41.521 23.970 1.00 0.00 WT1 O ATOM 20453 H1 TIP3 6969 58.380 41.801 23.230 1.00 0.00 WT1 H ATOM 20454 H2 TIP3 6969 56.945 41.529 23.630 1.00 0.00 WT1 H ATOM 20455 OH2 TIP3 6970 27.233 9.799 66.739 1.00 0.00 WT1 O ATOM 20456 H1 TIP3 6970 27.792 9.482 66.030 1.00 0.00 WT1 H ATOM 20457 H2 TIP3 6970 27.750 9.657 67.533 1.00 0.00 WT1 H ATOM 20458 OH2 TIP3 6971 64.159 10.035 -0.902 1.00 0.00 WT1 O ATOM 20459 H1 TIP3 6971 63.582 10.783 -1.053 1.00 0.00 WT1 H ATOM 20460 H2 TIP3 6971 64.822 10.363 -0.294 1.00 0.00 WT1 H ATOM 20461 OH2 TIP3 6972 75.586 0.161 53.411 1.00 0.00 WT1 O ATOM 20462 H1 TIP3 6972 75.209 0.411 54.254 1.00 0.00 WT1 H ATOM 20463 H2 TIP3 6972 75.885 0.986 53.028 1.00 0.00 WT1 H ATOM 20464 OH2 TIP3 6973 68.913 30.934 33.645 1.00 0.00 WT1 O ATOM 20465 H1 TIP3 6973 68.267 31.397 34.179 1.00 0.00 WT1 H ATOM 20466 H2 TIP3 6973 69.396 30.393 34.269 1.00 0.00 WT1 H ATOM 20467 OH2 TIP3 6974 77.198 70.667 -14.216 1.00 0.00 WT1 O ATOM 20468 H1 TIP3 6974 78.126 70.523 -14.404 1.00 0.00 WT1 H ATOM 20469 H2 TIP3 6974 76.954 69.941 -13.642 1.00 0.00 WT1 H ATOM 20470 OH2 TIP3 6975 67.228 33.586 -15.343 1.00 0.00 WT1 O ATOM 20471 H1 TIP3 6975 66.704 33.259 -14.612 1.00 0.00 WT1 H ATOM 20472 H2 TIP3 6975 66.628 33.579 -16.089 1.00 0.00 WT1 H ATOM 20473 OH2 TIP3 6976 86.491 92.334 62.370 1.00 0.00 WT1 O ATOM 20474 H1 TIP3 6976 86.035 92.637 61.584 1.00 0.00 WT1 H ATOM 20475 H2 TIP3 6976 86.780 93.137 62.804 1.00 0.00 WT1 H ATOM 20476 OH2 TIP3 6977 32.931 44.467 -12.888 1.00 0.00 WT1 O ATOM 20477 H1 TIP3 6977 33.004 44.478 -11.933 1.00 0.00 WT1 H ATOM 20478 H2 TIP3 6977 33.721 44.913 -13.193 1.00 0.00 WT1 H ATOM 20479 OH2 TIP3 6978 69.428 1.940 55.407 1.00 0.00 WT1 O ATOM 20480 H1 TIP3 6978 69.799 2.543 54.764 1.00 0.00 WT1 H ATOM 20481 H2 TIP3 6978 69.794 1.086 55.174 1.00 0.00 WT1 H ATOM 20482 OH2 TIP3 6979 65.504 28.003 65.203 1.00 0.00 WT1 O ATOM 20483 H1 TIP3 6979 64.553 27.979 65.096 1.00 0.00 WT1 H ATOM 20484 H2 TIP3 6979 65.752 28.894 64.956 1.00 0.00 WT1 H ATOM 20485 OH2 TIP3 6980 29.167 70.469 2.331 1.00 0.00 WT1 O ATOM 20486 H1 TIP3 6980 29.184 70.508 3.287 1.00 0.00 WT1 H ATOM 20487 H2 TIP3 6980 28.319 70.078 2.121 1.00 0.00 WT1 H ATOM 20488 OH2 TIP3 6983 32.814 46.819 -15.724 1.00 0.00 WT1 O ATOM 20489 H1 TIP3 6983 33.624 47.258 -15.983 1.00 0.00 WT1 H ATOM 20490 H2 TIP3 6983 32.280 47.510 -15.332 1.00 0.00 WT1 H ATOM 20491 OH2 TIP3 6985 27.741 65.654 7.135 1.00 0.00 WT1 O ATOM 20492 H1 TIP3 6985 27.898 65.072 6.392 1.00 0.00 WT1 H ATOM 20493 H2 TIP3 6985 26.936 66.121 6.908 1.00 0.00 WT1 H ATOM 20494 OH2 TIP3 6987 65.905 61.236 42.845 1.00 0.00 WT1 O ATOM 20495 H1 TIP3 6987 65.095 60.981 43.286 1.00 0.00 WT1 H ATOM 20496 H2 TIP3 6987 65.615 61.711 42.066 1.00 0.00 WT1 H ATOM 20497 OH2 TIP3 6988 90.343 76.684 40.544 1.00 0.00 WT1 O ATOM 20498 H1 TIP3 6988 91.299 76.635 40.571 1.00 0.00 WT1 H ATOM 20499 H2 TIP3 6988 90.149 77.139 39.725 1.00 0.00 WT1 H ATOM 20500 OH2 TIP3 6989 24.586 34.465 26.716 1.00 0.00 WT1 O ATOM 20501 H1 TIP3 6989 24.491 34.542 27.665 1.00 0.00 WT1 H ATOM 20502 H2 TIP3 6989 25.529 34.381 26.575 1.00 0.00 WT1 H ATOM 20503 OH2 TIP3 6991 55.850 42.726 22.084 1.00 0.00 WT1 O ATOM 20504 H1 TIP3 6991 56.755 42.748 21.771 1.00 0.00 WT1 H ATOM 20505 H2 TIP3 6991 55.455 43.523 21.729 1.00 0.00 WT1 H ATOM 20506 OH2 TIP3 6992 51.911 82.549 27.281 1.00 0.00 WT1 O ATOM 20507 H1 TIP3 6992 51.229 82.113 26.770 1.00 0.00 WT1 H ATOM 20508 H2 TIP3 6992 52.731 82.192 26.941 1.00 0.00 WT1 H ATOM 20509 OH2 TIP3 6993 82.084 56.654 16.180 1.00 0.00 WT1 O ATOM 20510 H1 TIP3 6993 82.556 56.950 16.958 1.00 0.00 WT1 H ATOM 20511 H2 TIP3 6993 81.466 56.001 16.508 1.00 0.00 WT1 H ATOM 20512 OH2 TIP3 6994 64.089 93.763 19.962 1.00 0.00 WT1 O ATOM 20513 H1 TIP3 6994 63.332 93.524 20.497 1.00 0.00 WT1 H ATOM 20514 H2 TIP3 6994 64.084 94.720 19.953 1.00 0.00 WT1 H ATOM 20515 OH2 TIP3 6995 63.961 29.331 21.244 1.00 0.00 WT1 O ATOM 20516 H1 TIP3 6995 64.398 30.176 21.355 1.00 0.00 WT1 H ATOM 20517 H2 TIP3 6995 63.389 29.255 22.007 1.00 0.00 WT1 H ATOM 20518 OH2 TIP3 6997 88.497 75.694 24.742 1.00 0.00 WT1 O ATOM 20519 H1 TIP3 6997 87.871 75.335 24.114 1.00 0.00 WT1 H ATOM 20520 H2 TIP3 6997 89.040 76.290 24.226 1.00 0.00 WT1 H ATOM 20521 OH2 TIP3 6998 27.101 70.938 46.473 1.00 0.00 WT1 O ATOM 20522 H1 TIP3 6998 27.822 71.565 46.524 1.00 0.00 WT1 H ATOM 20523 H2 TIP3 6998 27.268 70.322 47.186 1.00 0.00 WT1 H ATOM 20524 OH2 TIP3 6999 71.278 0.808 -9.356 1.00 0.00 WT1 O ATOM 20525 H1 TIP3 6999 71.483 0.220 -8.629 1.00 0.00 WT1 H ATOM 20526 H2 TIP3 6999 71.528 0.318 -10.139 1.00 0.00 WT1 H ATOM 20527 OH2 TIP3 7000 72.068 63.412 -11.105 1.00 0.00 WT1 O ATOM 20528 H1 TIP3 7000 71.301 63.479 -11.674 1.00 0.00 WT1 H ATOM 20529 H2 TIP3 7000 71.745 62.979 -10.316 1.00 0.00 WT1 H ATOM 20530 OH2 TIP3 7001 81.676 72.428 12.209 1.00 0.00 WT1 O ATOM 20531 H1 TIP3 7001 81.690 71.496 12.424 1.00 0.00 WT1 H ATOM 20532 H2 TIP3 7001 82.348 72.815 12.770 1.00 0.00 WT1 H ATOM 20533 OH2 TIP3 7002 34.809 51.619 -7.912 1.00 0.00 WT1 O ATOM 20534 H1 TIP3 7002 35.000 51.046 -7.169 1.00 0.00 WT1 H ATOM 20535 H2 TIP3 7002 35.256 52.439 -7.704 1.00 0.00 WT1 H ATOM 20536 OH2 TIP3 7003 69.587 31.326 22.191 1.00 0.00 WT1 O ATOM 20537 H1 TIP3 7003 69.278 30.575 22.698 1.00 0.00 WT1 H ATOM 20538 H2 TIP3 7003 68.788 31.756 21.887 1.00 0.00 WT1 H ATOM 20539 OH2 TIP3 7004 27.246 73.851 -4.318 1.00 0.00 WT1 O ATOM 20540 H1 TIP3 7004 28.137 73.539 -4.475 1.00 0.00 WT1 H ATOM 20541 H2 TIP3 7004 26.695 73.079 -4.446 1.00 0.00 WT1 H ATOM 20542 OH2 TIP3 7005 86.872 49.878 17.674 1.00 0.00 WT1 O ATOM 20543 H1 TIP3 7005 86.524 49.258 17.032 1.00 0.00 WT1 H ATOM 20544 H2 TIP3 7005 86.442 50.707 17.465 1.00 0.00 WT1 H ATOM 20545 OH2 TIP3 7006 65.971 71.280 36.973 1.00 0.00 WT1 O ATOM 20546 H1 TIP3 7006 65.018 71.267 37.069 1.00 0.00 WT1 H ATOM 20547 H2 TIP3 7006 66.146 70.693 36.237 1.00 0.00 WT1 H ATOM 20548 OH2 TIP3 7007 33.749 67.118 -8.066 1.00 0.00 WT1 O ATOM 20549 H1 TIP3 7007 33.235 66.312 -8.021 1.00 0.00 WT1 H ATOM 20550 H2 TIP3 7007 33.341 67.624 -8.769 1.00 0.00 WT1 H ATOM 20551 OH2 TIP3 7008 55.415 65.779 55.006 1.00 0.00 WT1 O ATOM 20552 H1 TIP3 7008 54.905 66.521 54.683 1.00 0.00 WT1 H ATOM 20553 H2 TIP3 7008 55.862 65.440 54.231 1.00 0.00 WT1 H ATOM 20554 OH2 TIP3 7009 88.838 75.268 12.410 1.00 0.00 WT1 O ATOM 20555 H1 TIP3 7009 88.195 75.968 12.306 1.00 0.00 WT1 H ATOM 20556 H2 TIP3 7009 88.403 74.622 12.967 1.00 0.00 WT1 H ATOM 20557 OH2 TIP3 7010 20.659 64.353 28.681 1.00 0.00 WT1 O ATOM 20558 H1 TIP3 7010 20.940 65.261 28.794 1.00 0.00 WT1 H ATOM 20559 H2 TIP3 7010 19.932 64.248 29.294 1.00 0.00 WT1 H ATOM 20560 OH2 TIP3 7011 59.160 76.149 64.023 1.00 0.00 WT1 O ATOM 20561 H1 TIP3 7011 58.956 75.412 64.599 1.00 0.00 WT1 H ATOM 20562 H2 TIP3 7011 59.451 75.741 63.207 1.00 0.00 WT1 H ATOM 20563 OH2 TIP3 7012 72.175 33.744 -17.154 1.00 0.00 WT1 O ATOM 20564 H1 TIP3 7012 71.300 33.381 -17.020 1.00 0.00 WT1 H ATOM 20565 H2 TIP3 7012 72.452 34.031 -16.283 1.00 0.00 WT1 H ATOM 20566 OH2 TIP3 7013 22.323 36.418 1.502 1.00 0.00 WT1 O ATOM 20567 H1 TIP3 7013 22.568 35.958 2.305 1.00 0.00 WT1 H ATOM 20568 H2 TIP3 7013 21.766 35.798 1.031 1.00 0.00 WT1 H ATOM 20569 OH2 TIP3 7014 79.201 57.304 10.391 1.00 0.00 WT1 O ATOM 20570 H1 TIP3 7014 78.463 57.557 10.945 1.00 0.00 WT1 H ATOM 20571 H2 TIP3 7014 79.811 56.868 10.987 1.00 0.00 WT1 H ATOM 20572 OH2 TIP3 7015 70.307 37.892 21.099 1.00 0.00 WT1 O ATOM 20573 H1 TIP3 7015 69.690 37.264 20.723 1.00 0.00 WT1 H ATOM 20574 H2 TIP3 7015 69.753 38.583 21.462 1.00 0.00 WT1 H ATOM 20575 OH2 TIP3 7016 35.275 26.420 25.954 1.00 0.00 WT1 O ATOM 20576 H1 TIP3 7016 35.409 27.235 25.471 1.00 0.00 WT1 H ATOM 20577 H2 TIP3 7016 34.432 26.536 26.392 1.00 0.00 WT1 H ATOM 20578 OH2 TIP3 7017 70.308 2.503 0.631 1.00 0.00 WT1 O ATOM 20579 H1 TIP3 7017 70.715 1.707 0.288 1.00 0.00 WT1 H ATOM 20580 H2 TIP3 7017 70.577 3.191 0.023 1.00 0.00 WT1 H ATOM 20581 OH2 TIP3 7018 63.877 36.005 19.579 1.00 0.00 WT1 O ATOM 20582 H1 TIP3 7018 63.152 35.742 20.146 1.00 0.00 WT1 H ATOM 20583 H2 TIP3 7018 63.531 35.919 18.691 1.00 0.00 WT1 H ATOM 20584 OH2 TIP3 7019 66.128 68.314 -2.565 1.00 0.00 WT1 O ATOM 20585 H1 TIP3 7019 65.551 67.675 -2.984 1.00 0.00 WT1 H ATOM 20586 H2 TIP3 7019 66.850 68.427 -3.184 1.00 0.00 WT1 H ATOM 20587 OH2 TIP3 7020 52.979 27.325 -1.981 1.00 0.00 WT1 O ATOM 20588 H1 TIP3 7020 52.646 28.172 -2.277 1.00 0.00 WT1 H ATOM 20589 H2 TIP3 7020 53.713 27.543 -1.407 1.00 0.00 WT1 H ATOM 20590 OH2 TIP3 7021 38.291 81.242 66.080 1.00 0.00 WT1 O ATOM 20591 H1 TIP3 7021 39.078 81.498 66.561 1.00 0.00 WT1 H ATOM 20592 H2 TIP3 7021 38.374 80.294 65.971 1.00 0.00 WT1 H ATOM 20593 OH2 TIP3 7023 49.968 6.005 30.301 1.00 0.00 WT1 O ATOM 20594 H1 TIP3 7023 50.209 6.893 30.036 1.00 0.00 WT1 H ATOM 20595 H2 TIP3 7023 49.185 5.805 29.788 1.00 0.00 WT1 H ATOM 20596 OH2 TIP3 7024 42.224 28.498 64.725 1.00 0.00 WT1 O ATOM 20597 H1 TIP3 7024 42.780 27.810 65.091 1.00 0.00 WT1 H ATOM 20598 H2 TIP3 7024 41.666 28.045 64.093 1.00 0.00 WT1 H ATOM 20599 OH2 TIP3 7025 26.399 93.741 34.899 1.00 0.00 WT1 O ATOM 20600 H1 TIP3 7025 26.707 93.784 35.804 1.00 0.00 WT1 H ATOM 20601 H2 TIP3 7025 25.670 94.361 34.863 1.00 0.00 WT1 H ATOM 20602 OH2 TIP3 7026 62.167 30.174 59.086 1.00 0.00 WT1 O ATOM 20603 H1 TIP3 7026 62.954 30.715 59.023 1.00 0.00 WT1 H ATOM 20604 H2 TIP3 7026 61.444 30.786 58.950 1.00 0.00 WT1 H ATOM 20605 OH2 TIP3 7027 81.704 90.721 53.167 1.00 0.00 WT1 O ATOM 20606 H1 TIP3 7027 81.143 90.391 52.465 1.00 0.00 WT1 H ATOM 20607 H2 TIP3 7027 81.204 91.438 53.557 1.00 0.00 WT1 H ATOM 20608 OH2 TIP3 7028 52.965 71.165 47.419 1.00 0.00 WT1 O ATOM 20609 H1 TIP3 7028 52.062 71.267 47.120 1.00 0.00 WT1 H ATOM 20610 H2 TIP3 7028 53.484 71.149 46.614 1.00 0.00 WT1 H ATOM 20611 OH2 TIP3 7029 56.259 73.476 45.907 1.00 0.00 WT1 O ATOM 20612 H1 TIP3 7029 55.668 74.227 45.960 1.00 0.00 WT1 H ATOM 20613 H2 TIP3 7029 55.698 72.748 45.639 1.00 0.00 WT1 H ATOM 20614 OH2 TIP3 7030 63.744 60.121 29.077 1.00 0.00 WT1 O ATOM 20615 H1 TIP3 7030 63.401 60.979 28.827 1.00 0.00 WT1 H ATOM 20616 H2 TIP3 7030 63.012 59.520 28.939 1.00 0.00 WT1 H ATOM 20617 OH2 TIP3 7031 71.488 69.738 54.108 1.00 0.00 WT1 O ATOM 20618 H1 TIP3 7031 71.361 70.087 54.991 1.00 0.00 WT1 H ATOM 20619 H2 TIP3 7031 71.117 70.406 53.531 1.00 0.00 WT1 H ATOM 20620 OH2 TIP3 7033 84.459 82.869 37.627 1.00 0.00 WT1 O ATOM 20621 H1 TIP3 7033 83.664 82.390 37.861 1.00 0.00 WT1 H ATOM 20622 H2 TIP3 7033 84.697 82.531 36.764 1.00 0.00 WT1 H ATOM 20623 OH2 TIP3 7034 50.777 72.426 26.838 1.00 0.00 WT1 O ATOM 20624 H1 TIP3 7034 51.366 72.919 26.268 1.00 0.00 WT1 H ATOM 20625 H2 TIP3 7034 50.518 71.666 26.317 1.00 0.00 WT1 H ATOM 20626 OH2 TIP3 7036 58.099 85.080 11.440 1.00 0.00 WT1 O ATOM 20627 H1 TIP3 7036 58.095 84.534 10.654 1.00 0.00 WT1 H ATOM 20628 H2 TIP3 7036 58.086 85.978 11.110 1.00 0.00 WT1 H ATOM 20629 OH2 TIP3 7037 35.537 50.745 54.719 1.00 0.00 WT1 O ATOM 20630 H1 TIP3 7037 34.916 50.064 54.979 1.00 0.00 WT1 H ATOM 20631 H2 TIP3 7037 36.391 50.315 54.749 1.00 0.00 WT1 H ATOM 20632 OH2 TIP3 7038 73.694 43.935 20.563 1.00 0.00 WT1 O ATOM 20633 H1 TIP3 7038 73.137 44.700 20.416 1.00 0.00 WT1 H ATOM 20634 H2 TIP3 7038 73.508 43.357 19.823 1.00 0.00 WT1 H ATOM 20635 OH2 TIP3 7039 24.317 86.715 28.354 1.00 0.00 WT1 O ATOM 20636 H1 TIP3 7039 23.460 86.474 28.706 1.00 0.00 WT1 H ATOM 20637 H2 TIP3 7039 24.944 86.349 28.977 1.00 0.00 WT1 H ATOM 20638 OH2 TIP3 7040 66.756 91.902 -10.996 1.00 0.00 WT1 O ATOM 20639 H1 TIP3 7040 66.032 92.481 -11.233 1.00 0.00 WT1 H ATOM 20640 H2 TIP3 7040 66.602 91.105 -11.503 1.00 0.00 WT1 H ATOM 20641 OH2 TIP3 7041 71.012 41.372 65.990 1.00 0.00 WT1 O ATOM 20642 H1 TIP3 7041 70.470 42.152 66.113 1.00 0.00 WT1 H ATOM 20643 H2 TIP3 7041 71.345 41.171 66.865 1.00 0.00 WT1 H ATOM 20644 OH2 TIP3 7042 34.900 89.887 47.107 1.00 0.00 WT1 O ATOM 20645 H1 TIP3 7042 34.911 90.393 46.294 1.00 0.00 WT1 H ATOM 20646 H2 TIP3 7042 34.758 88.983 46.825 1.00 0.00 WT1 H ATOM 20647 OH2 TIP3 7043 41.425 14.082 4.172 1.00 0.00 WT1 O ATOM 20648 H1 TIP3 7043 40.811 14.811 4.250 1.00 0.00 WT1 H ATOM 20649 H2 TIP3 7043 41.909 14.086 4.998 1.00 0.00 WT1 H ATOM 20650 OH2 TIP3 7044 51.213 53.719 -10.427 1.00 0.00 WT1 O ATOM 20651 H1 TIP3 7044 50.548 54.305 -10.065 1.00 0.00 WT1 H ATOM 20652 H2 TIP3 7044 51.917 53.725 -9.779 1.00 0.00 WT1 H ATOM 20653 OH2 TIP3 7045 63.102 48.306 49.590 1.00 0.00 WT1 O ATOM 20654 H1 TIP3 7045 63.136 49.062 49.004 1.00 0.00 WT1 H ATOM 20655 H2 TIP3 7045 62.345 47.804 49.290 1.00 0.00 WT1 H ATOM 20656 OH2 TIP3 7046 45.401 80.415 63.975 1.00 0.00 WT1 O ATOM 20657 H1 TIP3 7046 45.788 80.592 63.118 1.00 0.00 WT1 H ATOM 20658 H2 TIP3 7046 45.102 81.269 64.285 1.00 0.00 WT1 H ATOM 20659 OH2 TIP3 7047 53.095 85.603 31.436 1.00 0.00 WT1 O ATOM 20660 H1 TIP3 7047 52.321 86.165 31.480 1.00 0.00 WT1 H ATOM 20661 H2 TIP3 7047 52.980 85.100 30.630 1.00 0.00 WT1 H ATOM 20662 OH2 TIP3 7048 40.216 68.253 61.476 1.00 0.00 WT1 O ATOM 20663 H1 TIP3 7048 40.635 67.931 60.677 1.00 0.00 WT1 H ATOM 20664 H2 TIP3 7048 39.832 67.474 61.877 1.00 0.00 WT1 H ATOM 20665 OH2 TIP3 7049 70.813 75.741 -7.820 1.00 0.00 WT1 O ATOM 20666 H1 TIP3 7049 71.265 74.897 -7.821 1.00 0.00 WT1 H ATOM 20667 H2 TIP3 7049 71.499 76.380 -7.623 1.00 0.00 WT1 H ATOM 20668 OH2 TIP3 7050 85.649 5.610 4.161 1.00 0.00 WT1 O ATOM 20669 H1 TIP3 7050 86.044 5.257 4.958 1.00 0.00 WT1 H ATOM 20670 H2 TIP3 7050 86.097 6.443 4.019 1.00 0.00 WT1 H ATOM 20671 OH2 TIP3 7051 57.608 95.692 49.275 1.00 0.00 WT1 O ATOM 20672 H1 TIP3 7051 56.840 95.852 49.824 1.00 0.00 WT1 H ATOM 20673 H2 TIP3 7051 57.249 95.366 48.450 1.00 0.00 WT1 H ATOM 20674 OH2 TIP3 7053 48.609 41.796 64.991 1.00 0.00 WT1 O ATOM 20675 H1 TIP3 7053 48.384 42.016 64.087 1.00 0.00 WT1 H ATOM 20676 H2 TIP3 7053 47.764 41.682 65.427 1.00 0.00 WT1 H ATOM 20677 OH2 TIP3 7054 78.735 72.910 51.862 1.00 0.00 WT1 O ATOM 20678 H1 TIP3 7054 78.026 73.199 52.437 1.00 0.00 WT1 H ATOM 20679 H2 TIP3 7054 78.361 72.181 51.368 1.00 0.00 WT1 H ATOM 20680 OH2 TIP3 7055 40.610 37.307 10.498 1.00 0.00 WT1 O ATOM 20681 H1 TIP3 7055 41.217 37.874 10.973 1.00 0.00 WT1 H ATOM 20682 H2 TIP3 7055 40.200 36.772 11.177 1.00 0.00 WT1 H ATOM 20683 OH2 TIP3 7056 27.739 22.902 53.721 1.00 0.00 WT1 O ATOM 20684 H1 TIP3 7056 28.461 23.462 54.006 1.00 0.00 WT1 H ATOM 20685 H2 TIP3 7056 27.419 22.494 54.525 1.00 0.00 WT1 H ATOM 20686 OH2 TIP3 7057 47.710 79.137 20.559 1.00 0.00 WT1 O ATOM 20687 H1 TIP3 7057 48.663 79.104 20.636 1.00 0.00 WT1 H ATOM 20688 H2 TIP3 7057 47.397 78.452 21.150 1.00 0.00 WT1 H ATOM 20689 OH2 TIP3 7058 71.726 37.292 29.338 1.00 0.00 WT1 O ATOM 20690 H1 TIP3 7058 71.891 37.342 28.397 1.00 0.00 WT1 H ATOM 20691 H2 TIP3 7058 72.185 36.501 29.621 1.00 0.00 WT1 H ATOM 20692 OH2 TIP3 7059 84.812 83.592 -11.311 1.00 0.00 WT1 O ATOM 20693 H1 TIP3 7059 85.433 82.879 -11.165 1.00 0.00 WT1 H ATOM 20694 H2 TIP3 7059 84.807 84.079 -10.487 1.00 0.00 WT1 H ATOM 20695 OH2 TIP3 7060 79.076 71.818 33.522 1.00 0.00 WT1 O ATOM 20696 H1 TIP3 7060 79.443 71.335 32.782 1.00 0.00 WT1 H ATOM 20697 H2 TIP3 7060 78.217 72.109 33.216 1.00 0.00 WT1 H ATOM 20698 OH2 TIP3 7061 40.679 27.920 -5.785 1.00 0.00 WT1 O ATOM 20699 H1 TIP3 7061 39.838 27.656 -6.158 1.00 0.00 WT1 H ATOM 20700 H2 TIP3 7061 40.569 27.806 -4.841 1.00 0.00 WT1 H ATOM 20701 OH2 TIP3 7062 49.221 90.097 -7.926 1.00 0.00 WT1 O ATOM 20702 H1 TIP3 7062 49.465 90.308 -8.827 1.00 0.00 WT1 H ATOM 20703 H2 TIP3 7062 49.484 89.183 -7.815 1.00 0.00 WT1 H ATOM 20704 OH2 TIP3 7063 30.796 20.589 61.368 1.00 0.00 WT1 O ATOM 20705 H1 TIP3 7063 31.429 19.890 61.202 1.00 0.00 WT1 H ATOM 20706 H2 TIP3 7063 29.943 20.182 61.216 1.00 0.00 WT1 H ATOM 20707 OH2 TIP3 7064 68.782 28.908 23.954 1.00 0.00 WT1 O ATOM 20708 H1 TIP3 7064 68.510 29.522 24.636 1.00 0.00 WT1 H ATOM 20709 H2 TIP3 7064 69.669 28.649 24.203 1.00 0.00 WT1 H ATOM 20710 OH2 TIP3 7065 28.673 16.998 34.135 1.00 0.00 WT1 O ATOM 20711 H1 TIP3 7065 29.494 16.507 34.101 1.00 0.00 WT1 H ATOM 20712 H2 TIP3 7065 28.154 16.647 33.412 1.00 0.00 WT1 H ATOM 20713 OH2 TIP3 7066 69.843 64.832 52.573 1.00 0.00 WT1 O ATOM 20714 H1 TIP3 7066 68.954 64.600 52.843 1.00 0.00 WT1 H ATOM 20715 H2 TIP3 7066 69.932 64.459 51.696 1.00 0.00 WT1 H ATOM 20716 OH2 TIP3 7067 80.054 40.650 18.434 1.00 0.00 WT1 O ATOM 20717 H1 TIP3 7067 80.215 41.237 19.172 1.00 0.00 WT1 H ATOM 20718 H2 TIP3 7067 80.324 41.152 17.665 1.00 0.00 WT1 H ATOM 20719 OH2 TIP3 7068 65.116 49.862 26.270 1.00 0.00 WT1 O ATOM 20720 H1 TIP3 7068 64.744 50.687 25.958 1.00 0.00 WT1 H ATOM 20721 H2 TIP3 7068 64.447 49.206 26.072 1.00 0.00 WT1 H ATOM 20722 OH2 TIP3 7069 87.332 85.434 30.881 1.00 0.00 WT1 O ATOM 20723 H1 TIP3 7069 87.622 85.946 30.126 1.00 0.00 WT1 H ATOM 20724 H2 TIP3 7069 86.626 84.884 30.541 1.00 0.00 WT1 H ATOM 20725 OH2 TIP3 7071 90.342 27.004 -18.344 1.00 0.00 WT1 O ATOM 20726 H1 TIP3 7071 90.205 27.198 -17.417 1.00 0.00 WT1 H ATOM 20727 H2 TIP3 7071 90.457 27.862 -18.754 1.00 0.00 WT1 H ATOM 20728 OH2 TIP3 7072 37.744 51.623 -6.432 1.00 0.00 WT1 O ATOM 20729 H1 TIP3 7072 38.085 52.431 -6.048 1.00 0.00 WT1 H ATOM 20730 H2 TIP3 7072 37.079 51.325 -5.811 1.00 0.00 WT1 H ATOM 20731 OH2 TIP3 7073 61.754 1.143 -11.467 1.00 0.00 WT1 O ATOM 20732 H1 TIP3 7073 61.845 0.193 -11.543 1.00 0.00 WT1 H ATOM 20733 H2 TIP3 7073 61.493 1.287 -10.558 1.00 0.00 WT1 H ATOM 20734 OH2 TIP3 7074 73.778 43.192 7.448 1.00 0.00 WT1 O ATOM 20735 H1 TIP3 7074 72.839 43.045 7.333 1.00 0.00 WT1 H ATOM 20736 H2 TIP3 7074 73.836 43.813 8.174 1.00 0.00 WT1 H ATOM 20737 OH2 TIP3 7075 54.477 58.536 -7.412 1.00 0.00 WT1 O ATOM 20738 H1 TIP3 7075 53.982 58.719 -6.613 1.00 0.00 WT1 H ATOM 20739 H2 TIP3 7075 55.315 58.193 -7.102 1.00 0.00 WT1 H ATOM 20740 OH2 TIP3 7076 81.729 14.210 -16.814 1.00 0.00 WT1 O ATOM 20741 H1 TIP3 7076 81.245 15.034 -16.756 1.00 0.00 WT1 H ATOM 20742 H2 TIP3 7076 81.056 13.547 -16.972 1.00 0.00 WT1 H ATOM 20743 OH2 TIP3 7077 80.451 67.039 65.634 1.00 0.00 WT1 O ATOM 20744 H1 TIP3 7077 79.922 67.322 64.888 1.00 0.00 WT1 H ATOM 20745 H2 TIP3 7077 80.092 66.185 65.873 1.00 0.00 WT1 H ATOM 20746 OH2 TIP3 7078 20.818 57.722 19.620 1.00 0.00 WT1 O ATOM 20747 H1 TIP3 7078 21.096 56.944 20.104 1.00 0.00 WT1 H ATOM 20748 H2 TIP3 7078 20.029 57.445 19.154 1.00 0.00 WT1 H ATOM 20749 OH2 TIP3 7079 85.736 16.221 -5.732 1.00 0.00 WT1 O ATOM 20750 H1 TIP3 7079 85.448 17.127 -5.620 1.00 0.00 WT1 H ATOM 20751 H2 TIP3 7079 86.692 16.271 -5.724 1.00 0.00 WT1 H ATOM 20752 OH2 TIP3 7080 77.758 49.450 17.384 1.00 0.00 WT1 O ATOM 20753 H1 TIP3 7080 76.874 49.816 17.352 1.00 0.00 WT1 H ATOM 20754 H2 TIP3 7080 78.133 49.798 18.193 1.00 0.00 WT1 H ATOM 20755 OH2 TIP3 7081 44.458 73.239 -9.988 1.00 0.00 WT1 O ATOM 20756 H1 TIP3 7081 44.036 73.203 -9.130 1.00 0.00 WT1 H ATOM 20757 H2 TIP3 7081 45.395 73.201 -9.797 1.00 0.00 WT1 H ATOM 20758 OH2 TIP3 7082 30.755 20.417 5.477 1.00 0.00 WT1 O ATOM 20759 H1 TIP3 7082 31.160 20.753 4.677 1.00 0.00 WT1 H ATOM 20760 H2 TIP3 7082 30.995 19.490 5.496 1.00 0.00 WT1 H ATOM 20761 OH2 TIP3 7083 63.916 6.663 13.559 1.00 0.00 WT1 O ATOM 20762 H1 TIP3 7083 64.460 7.321 13.125 1.00 0.00 WT1 H ATOM 20763 H2 TIP3 7083 63.028 7.017 13.514 1.00 0.00 WT1 H ATOM 20764 OH2 TIP3 7085 73.209 40.751 -0.551 1.00 0.00 WT1 O ATOM 20765 H1 TIP3 7085 73.874 40.383 -1.134 1.00 0.00 WT1 H ATOM 20766 H2 TIP3 7085 72.543 41.104 -1.141 1.00 0.00 WT1 H ATOM 20767 OH2 TIP3 7086 25.529 50.747 7.592 1.00 0.00 WT1 O ATOM 20768 H1 TIP3 7086 26.141 51.324 7.136 1.00 0.00 WT1 H ATOM 20769 H2 TIP3 7086 25.124 50.229 6.897 1.00 0.00 WT1 H ATOM 20770 OH2 TIP3 7088 58.231 16.858 42.154 1.00 0.00 WT1 O ATOM 20771 H1 TIP3 7088 58.569 17.599 42.657 1.00 0.00 WT1 H ATOM 20772 H2 TIP3 7088 58.241 17.161 41.246 1.00 0.00 WT1 H ATOM 20773 OH2 TIP3 7089 63.094 30.962 2.116 1.00 0.00 WT1 O ATOM 20774 H1 TIP3 7089 62.758 30.768 2.992 1.00 0.00 WT1 H ATOM 20775 H2 TIP3 7089 63.089 31.917 2.064 1.00 0.00 WT1 H ATOM 20776 OH2 TIP3 7090 84.313 84.130 58.163 1.00 0.00 WT1 O ATOM 20777 H1 TIP3 7090 84.162 84.295 57.232 1.00 0.00 WT1 H ATOM 20778 H2 TIP3 7090 84.883 84.845 58.444 1.00 0.00 WT1 H ATOM 20779 OH2 TIP3 7091 58.833 13.260 31.968 1.00 0.00 WT1 O ATOM 20780 H1 TIP3 7091 58.005 12.849 32.214 1.00 0.00 WT1 H ATOM 20781 H2 TIP3 7091 58.599 14.164 31.759 1.00 0.00 WT1 H ATOM 20782 OH2 TIP3 7092 69.731 49.000 29.817 1.00 0.00 WT1 O ATOM 20783 H1 TIP3 7092 69.214 48.807 30.599 1.00 0.00 WT1 H ATOM 20784 H2 TIP3 7092 69.081 49.194 29.141 1.00 0.00 WT1 H ATOM 20785 OH2 TIP3 7093 61.029 89.763 10.079 1.00 0.00 WT1 O ATOM 20786 H1 TIP3 7093 61.356 90.175 10.878 1.00 0.00 WT1 H ATOM 20787 H2 TIP3 7093 60.088 89.935 10.088 1.00 0.00 WT1 H ATOM 20788 OH2 TIP3 7094 21.793 13.023 37.275 1.00 0.00 WT1 O ATOM 20789 H1 TIP3 7094 22.732 12.985 37.458 1.00 0.00 WT1 H ATOM 20790 H2 TIP3 7094 21.736 13.377 36.387 1.00 0.00 WT1 H ATOM 20791 OH2 TIP3 7095 46.031 0.968 65.043 1.00 0.00 WT1 O ATOM 20792 H1 TIP3 7095 46.280 1.298 65.906 1.00 0.00 WT1 H ATOM 20793 H2 TIP3 7095 46.347 0.064 65.031 1.00 0.00 WT1 H ATOM 20794 OH2 TIP3 7096 64.669 79.398 7.724 1.00 0.00 WT1 O ATOM 20795 H1 TIP3 7096 64.137 79.216 6.950 1.00 0.00 WT1 H ATOM 20796 H2 TIP3 7096 64.547 78.632 8.285 1.00 0.00 WT1 H ATOM 20797 OH2 TIP3 7097 78.964 38.409 63.280 1.00 0.00 WT1 O ATOM 20798 H1 TIP3 7097 79.705 37.831 63.099 1.00 0.00 WT1 H ATOM 20799 H2 TIP3 7097 78.708 38.747 62.422 1.00 0.00 WT1 H ATOM 20800 OH2 TIP3 7098 47.219 41.769 45.661 1.00 0.00 WT1 O ATOM 20801 H1 TIP3 7098 47.659 41.467 46.455 1.00 0.00 WT1 H ATOM 20802 H2 TIP3 7098 47.476 42.687 45.578 1.00 0.00 WT1 H ATOM 20803 OH2 TIP3 7099 47.499 1.542 -16.416 1.00 0.00 WT1 O ATOM 20804 H1 TIP3 7099 46.650 1.791 -16.051 1.00 0.00 WT1 H ATOM 20805 H2 TIP3 7099 47.934 1.064 -15.710 1.00 0.00 WT1 H ATOM 20806 OH2 TIP3 7101 59.603 74.905 -4.062 1.00 0.00 WT1 O ATOM 20807 H1 TIP3 7101 59.596 75.859 -4.147 1.00 0.00 WT1 H ATOM 20808 H2 TIP3 7101 60.368 74.625 -4.564 1.00 0.00 WT1 H ATOM 20809 OH2 TIP3 7102 64.391 19.205 14.643 1.00 0.00 WT1 O ATOM 20810 H1 TIP3 7102 63.765 18.806 15.247 1.00 0.00 WT1 H ATOM 20811 H2 TIP3 7102 64.564 20.070 15.015 1.00 0.00 WT1 H ATOM 20812 OH2 TIP3 7103 65.565 93.089 55.868 1.00 0.00 WT1 O ATOM 20813 H1 TIP3 7103 66.404 92.757 56.188 1.00 0.00 WT1 H ATOM 20814 H2 TIP3 7103 64.941 92.870 56.559 1.00 0.00 WT1 H ATOM 20815 OH2 TIP3 7104 87.891 94.096 1.546 1.00 0.00 WT1 O ATOM 20816 H1 TIP3 7104 87.092 94.136 1.021 1.00 0.00 WT1 H ATOM 20817 H2 TIP3 7104 87.682 93.488 2.255 1.00 0.00 WT1 H ATOM 20818 OH2 TIP3 7105 60.164 20.583 26.124 1.00 0.00 WT1 O ATOM 20819 H1 TIP3 7105 60.533 21.431 26.370 1.00 0.00 WT1 H ATOM 20820 H2 TIP3 7105 59.552 20.374 26.830 1.00 0.00 WT1 H ATOM 20821 OH2 TIP3 7106 83.942 27.572 -10.261 1.00 0.00 WT1 O ATOM 20822 H1 TIP3 7106 84.312 26.756 -9.923 1.00 0.00 WT1 H ATOM 20823 H2 TIP3 7106 84.442 27.749 -11.058 1.00 0.00 WT1 H ATOM 20824 OH2 TIP3 7107 84.568 90.969 -3.661 1.00 0.00 WT1 O ATOM 20825 H1 TIP3 7107 85.385 91.468 -3.632 1.00 0.00 WT1 H ATOM 20826 H2 TIP3 7107 84.344 90.929 -4.590 1.00 0.00 WT1 H ATOM 20827 OH2 TIP3 7108 20.706 89.477 -13.868 1.00 0.00 WT1 O ATOM 20828 H1 TIP3 7108 21.574 89.712 -13.539 1.00 0.00 WT1 H ATOM 20829 H2 TIP3 7108 20.464 88.697 -13.369 1.00 0.00 WT1 H ATOM 20830 OH2 TIP3 7109 45.617 95.283 7.336 1.00 0.00 WT1 O ATOM 20831 H1 TIP3 7109 45.435 94.709 8.080 1.00 0.00 WT1 H ATOM 20832 H2 TIP3 7109 46.522 95.564 7.465 1.00 0.00 WT1 H ATOM 20833 OH2 TIP3 7110 69.333 82.722 34.700 1.00 0.00 WT1 O ATOM 20834 H1 TIP3 7110 69.854 83.047 33.966 1.00 0.00 WT1 H ATOM 20835 H2 TIP3 7110 68.478 83.138 34.591 1.00 0.00 WT1 H ATOM 20836 OH2 TIP3 7111 53.841 7.063 62.058 1.00 0.00 WT1 O ATOM 20837 H1 TIP3 7111 53.304 7.294 62.816 1.00 0.00 WT1 H ATOM 20838 H2 TIP3 7111 54.541 6.518 62.416 1.00 0.00 WT1 H ATOM 20839 OH2 TIP3 7113 25.404 6.502 65.282 1.00 0.00 WT1 O ATOM 20840 H1 TIP3 7113 24.813 5.801 65.006 1.00 0.00 WT1 H ATOM 20841 H2 TIP3 7113 25.892 6.730 64.490 1.00 0.00 WT1 H ATOM 20842 OH2 TIP3 7114 81.708 65.312 -17.775 1.00 0.00 WT1 O ATOM 20843 H1 TIP3 7114 80.807 65.605 -17.640 1.00 0.00 WT1 H ATOM 20844 H2 TIP3 7114 82.242 66.085 -17.592 1.00 0.00 WT1 H ATOM 20845 OH2 TIP3 7115 22.215 34.525 65.269 1.00 0.00 WT1 O ATOM 20846 H1 TIP3 7115 21.920 34.980 66.058 1.00 0.00 WT1 H ATOM 20847 H2 TIP3 7115 22.129 35.176 64.571 1.00 0.00 WT1 H ATOM 20848 OH2 TIP3 7116 89.941 87.034 41.491 1.00 0.00 WT1 O ATOM 20849 H1 TIP3 7116 89.047 86.853 41.200 1.00 0.00 WT1 H ATOM 20850 H2 TIP3 7116 90.249 86.202 41.852 1.00 0.00 WT1 H ATOM 20851 OH2 TIP3 7117 37.164 13.293 54.812 1.00 0.00 WT1 O ATOM 20852 H1 TIP3 7117 36.793 14.090 55.191 1.00 0.00 WT1 H ATOM 20853 H2 TIP3 7117 37.506 13.568 53.961 1.00 0.00 WT1 H ATOM 20854 OH2 TIP3 7118 33.646 80.251 17.620 1.00 0.00 WT1 O ATOM 20855 H1 TIP3 7118 32.786 79.851 17.746 1.00 0.00 WT1 H ATOM 20856 H2 TIP3 7118 33.561 80.752 16.808 1.00 0.00 WT1 H ATOM 20857 OH2 TIP3 7119 59.430 25.926 41.740 1.00 0.00 WT1 O ATOM 20858 H1 TIP3 7119 60.374 25.768 41.726 1.00 0.00 WT1 H ATOM 20859 H2 TIP3 7119 59.093 25.437 40.990 1.00 0.00 WT1 H ATOM 20860 OH2 TIP3 7120 23.992 52.507 -14.548 1.00 0.00 WT1 O ATOM 20861 H1 TIP3 7120 23.497 51.764 -14.893 1.00 0.00 WT1 H ATOM 20862 H2 TIP3 7120 23.410 52.901 -13.897 1.00 0.00 WT1 H ATOM 20863 OH2 TIP3 7121 69.029 20.851 25.737 1.00 0.00 WT1 O ATOM 20864 H1 TIP3 7121 68.555 20.373 25.057 1.00 0.00 WT1 H ATOM 20865 H2 TIP3 7121 69.293 21.669 25.315 1.00 0.00 WT1 H ATOM 20866 OH2 TIP3 7122 49.317 38.652 48.892 1.00 0.00 WT1 O ATOM 20867 H1 TIP3 7122 48.933 38.455 49.746 1.00 0.00 WT1 H ATOM 20868 H2 TIP3 7122 48.889 38.044 48.290 1.00 0.00 WT1 H ATOM 20869 OH2 TIP3 7123 49.246 12.817 11.539 1.00 0.00 WT1 O ATOM 20870 H1 TIP3 7123 48.304 12.987 11.535 1.00 0.00 WT1 H ATOM 20871 H2 TIP3 7123 49.539 13.108 12.403 1.00 0.00 WT1 H ATOM 20872 OH2 TIP3 7124 40.420 12.138 -2.882 1.00 0.00 WT1 O ATOM 20873 H1 TIP3 7124 40.277 12.040 -3.823 1.00 0.00 WT1 H ATOM 20874 H2 TIP3 7124 39.690 11.669 -2.478 1.00 0.00 WT1 H ATOM 20875 OH2 TIP3 7125 51.696 8.970 23.545 1.00 0.00 WT1 O ATOM 20876 H1 TIP3 7125 50.884 8.861 23.050 1.00 0.00 WT1 H ATOM 20877 H2 TIP3 7125 51.441 8.831 24.457 1.00 0.00 WT1 H ATOM 20878 OH2 TIP3 7126 42.551 17.757 38.295 1.00 0.00 WT1 O ATOM 20879 H1 TIP3 7126 43.102 18.063 37.574 1.00 0.00 WT1 H ATOM 20880 H2 TIP3 7126 41.739 17.475 37.874 1.00 0.00 WT1 H ATOM 20881 OH2 TIP3 7127 30.286 51.377 -16.738 1.00 0.00 WT1 O ATOM 20882 H1 TIP3 7127 31.018 50.797 -16.947 1.00 0.00 WT1 H ATOM 20883 H2 TIP3 7127 30.484 52.191 -17.201 1.00 0.00 WT1 H ATOM 20884 OH2 TIP3 7128 27.324 81.998 29.386 1.00 0.00 WT1 O ATOM 20885 H1 TIP3 7128 26.706 82.685 29.635 1.00 0.00 WT1 H ATOM 20886 H2 TIP3 7128 27.338 81.403 30.136 1.00 0.00 WT1 H ATOM 20887 OH2 TIP3 7129 56.746 4.805 60.248 1.00 0.00 WT1 O ATOM 20888 H1 TIP3 7129 55.909 4.513 60.608 1.00 0.00 WT1 H ATOM 20889 H2 TIP3 7129 57.404 4.402 60.814 1.00 0.00 WT1 H ATOM 20890 OH2 TIP3 7130 65.536 54.592 9.250 1.00 0.00 WT1 O ATOM 20891 H1 TIP3 7130 65.473 54.898 10.154 1.00 0.00 WT1 H ATOM 20892 H2 TIP3 7130 64.722 54.110 9.102 1.00 0.00 WT1 H ATOM 20893 OH2 TIP3 7131 46.160 79.352 23.252 1.00 0.00 WT1 O ATOM 20894 H1 TIP3 7131 46.719 78.624 23.524 1.00 0.00 WT1 H ATOM 20895 H2 TIP3 7131 45.383 78.932 22.881 1.00 0.00 WT1 H ATOM 20896 OH2 TIP3 7132 76.790 36.915 3.613 1.00 0.00 WT1 O ATOM 20897 H1 TIP3 7132 76.677 37.147 4.535 1.00 0.00 WT1 H ATOM 20898 H2 TIP3 7132 75.899 36.815 3.279 1.00 0.00 WT1 H ATOM 20899 OH2 TIP3 7133 74.723 5.118 36.239 1.00 0.00 WT1 O ATOM 20900 H1 TIP3 7133 75.592 4.855 35.935 1.00 0.00 WT1 H ATOM 20901 H2 TIP3 7133 74.576 4.593 37.026 1.00 0.00 WT1 H ATOM 20902 OH2 TIP3 7134 21.891 76.058 66.367 1.00 0.00 WT1 O ATOM 20903 H1 TIP3 7134 22.754 76.211 66.752 1.00 0.00 WT1 H ATOM 20904 H2 TIP3 7134 21.938 76.466 65.503 1.00 0.00 WT1 H ATOM 20905 OH2 TIP3 7135 64.753 44.903 -19.381 1.00 0.00 WT1 O ATOM 20906 H1 TIP3 7135 64.433 45.757 -19.672 1.00 0.00 WT1 H ATOM 20907 H2 TIP3 7135 64.947 44.431 -20.191 1.00 0.00 WT1 H ATOM 20908 OH2 TIP3 7136 74.588 84.097 34.633 1.00 0.00 WT1 O ATOM 20909 H1 TIP3 7136 75.111 84.849 34.910 1.00 0.00 WT1 H ATOM 20910 H2 TIP3 7136 74.474 83.578 35.429 1.00 0.00 WT1 H ATOM 20911 OH2 TIP3 7137 64.292 14.493 66.732 1.00 0.00 WT1 O ATOM 20912 H1 TIP3 7137 63.837 15.315 66.548 1.00 0.00 WT1 H ATOM 20913 H2 TIP3 7137 64.749 14.285 65.917 1.00 0.00 WT1 H ATOM 20914 OH2 TIP3 7138 21.770 71.210 -8.287 1.00 0.00 WT1 O ATOM 20915 H1 TIP3 7138 22.392 70.743 -8.845 1.00 0.00 WT1 H ATOM 20916 H2 TIP3 7138 22.306 71.577 -7.584 1.00 0.00 WT1 H ATOM 20917 OH2 TIP3 7139 38.527 72.943 26.482 1.00 0.00 WT1 O ATOM 20918 H1 TIP3 7139 38.828 72.376 27.192 1.00 0.00 WT1 H ATOM 20919 H2 TIP3 7139 38.922 72.571 25.694 1.00 0.00 WT1 H ATOM 20920 OH2 TIP3 7140 81.541 90.568 34.118 1.00 0.00 WT1 O ATOM 20921 H1 TIP3 7140 81.760 91.488 33.972 1.00 0.00 WT1 H ATOM 20922 H2 TIP3 7140 81.297 90.239 33.253 1.00 0.00 WT1 H ATOM 20923 OH2 TIP3 7141 47.949 37.873 51.247 1.00 0.00 WT1 O ATOM 20924 H1 TIP3 7141 47.082 38.260 51.127 1.00 0.00 WT1 H ATOM 20925 H2 TIP3 7141 48.090 37.888 52.193 1.00 0.00 WT1 H ATOM 20926 OH2 TIP3 7142 23.507 79.808 57.147 1.00 0.00 WT1 O ATOM 20927 H1 TIP3 7142 22.804 79.172 57.278 1.00 0.00 WT1 H ATOM 20928 H2 TIP3 7142 23.167 80.621 57.519 1.00 0.00 WT1 H ATOM 20929 OH2 TIP3 7143 32.072 3.266 55.853 1.00 0.00 WT1 O ATOM 20930 H1 TIP3 7143 31.199 3.075 55.511 1.00 0.00 WT1 H ATOM 20931 H2 TIP3 7143 32.653 3.165 55.099 1.00 0.00 WT1 H ATOM 20932 OH2 TIP3 7144 88.658 5.316 8.677 1.00 0.00 WT1 O ATOM 20933 H1 TIP3 7144 88.003 5.221 9.368 1.00 0.00 WT1 H ATOM 20934 H2 TIP3 7144 89.476 5.023 9.080 1.00 0.00 WT1 H ATOM 20935 OH2 TIP3 7145 71.986 72.604 63.926 1.00 0.00 WT1 O ATOM 20936 H1 TIP3 7145 71.211 72.292 64.393 1.00 0.00 WT1 H ATOM 20937 H2 TIP3 7145 71.669 73.335 63.395 1.00 0.00 WT1 H ATOM 20938 OH2 TIP3 7146 56.895 72.581 34.856 1.00 0.00 WT1 O ATOM 20939 H1 TIP3 7146 55.986 72.781 34.634 1.00 0.00 WT1 H ATOM 20940 H2 TIP3 7146 56.932 71.625 34.879 1.00 0.00 WT1 H ATOM 20941 OH2 TIP3 7147 71.695 48.570 -8.576 1.00 0.00 WT1 O ATOM 20942 H1 TIP3 7147 72.289 47.831 -8.442 1.00 0.00 WT1 H ATOM 20943 H2 TIP3 7147 71.280 48.701 -7.723 1.00 0.00 WT1 H ATOM 20944 OH2 TIP3 7148 39.917 47.028 64.840 1.00 0.00 WT1 O ATOM 20945 H1 TIP3 7148 40.834 47.274 64.959 1.00 0.00 WT1 H ATOM 20946 H2 TIP3 7148 39.943 46.302 64.217 1.00 0.00 WT1 H ATOM 20947 OH2 TIP3 7149 42.372 65.508 62.952 1.00 0.00 WT1 O ATOM 20948 H1 TIP3 7149 42.832 66.299 62.674 1.00 0.00 WT1 H ATOM 20949 H2 TIP3 7149 42.477 64.899 62.221 1.00 0.00 WT1 H ATOM 20950 OH2 TIP3 7150 67.110 14.978 22.183 1.00 0.00 WT1 O ATOM 20951 H1 TIP3 7150 67.618 15.449 22.844 1.00 0.00 WT1 H ATOM 20952 H2 TIP3 7150 66.909 14.135 22.590 1.00 0.00 WT1 H ATOM 20953 OH2 TIP3 7151 79.062 13.109 38.163 1.00 0.00 WT1 O ATOM 20954 H1 TIP3 7151 79.308 12.391 37.581 1.00 0.00 WT1 H ATOM 20955 H2 TIP3 7151 79.793 13.724 38.109 1.00 0.00 WT1 H ATOM 20956 OH2 TIP3 7152 78.443 42.507 -10.131 1.00 0.00 WT1 O ATOM 20957 H1 TIP3 7152 78.097 43.185 -9.551 1.00 0.00 WT1 H ATOM 20958 H2 TIP3 7152 78.263 41.686 -9.675 1.00 0.00 WT1 H ATOM 20959 OH2 TIP3 7153 63.620 41.301 52.931 1.00 0.00 WT1 O ATOM 20960 H1 TIP3 7153 63.799 42.227 52.768 1.00 0.00 WT1 H ATOM 20961 H2 TIP3 7153 62.810 41.125 52.452 1.00 0.00 WT1 H ATOM 20962 OH2 TIP3 7154 64.242 11.512 63.734 1.00 0.00 WT1 O ATOM 20963 H1 TIP3 7154 64.592 12.301 64.148 1.00 0.00 WT1 H ATOM 20964 H2 TIP3 7154 64.691 10.791 64.176 1.00 0.00 WT1 H ATOM 20965 OH2 TIP3 7155 88.113 16.081 36.408 1.00 0.00 WT1 O ATOM 20966 H1 TIP3 7155 87.471 16.778 36.277 1.00 0.00 WT1 H ATOM 20967 H2 TIP3 7155 87.835 15.646 37.214 1.00 0.00 WT1 H ATOM 20968 OH2 TIP3 7156 40.227 26.598 19.718 1.00 0.00 WT1 O ATOM 20969 H1 TIP3 7156 39.430 26.576 19.188 1.00 0.00 WT1 H ATOM 20970 H2 TIP3 7156 40.081 27.310 20.341 1.00 0.00 WT1 H ATOM 20971 OH2 TIP3 7157 75.651 32.246 -10.233 1.00 0.00 WT1 O ATOM 20972 H1 TIP3 7157 76.058 32.473 -11.069 1.00 0.00 WT1 H ATOM 20973 H2 TIP3 7157 76.376 31.942 -9.688 1.00 0.00 WT1 H ATOM 20974 OH2 TIP3 7158 71.240 38.204 50.461 1.00 0.00 WT1 O ATOM 20975 H1 TIP3 7158 70.627 38.615 49.852 1.00 0.00 WT1 H ATOM 20976 H2 TIP3 7158 71.108 37.264 50.338 1.00 0.00 WT1 H ATOM 20977 OH2 TIP3 7159 25.842 9.800 57.911 1.00 0.00 WT1 O ATOM 20978 H1 TIP3 7159 25.222 9.873 57.185 1.00 0.00 WT1 H ATOM 20979 H2 TIP3 7159 26.655 9.502 57.503 1.00 0.00 WT1 H ATOM 20980 OH2 TIP3 7160 70.095 43.927 -12.199 1.00 0.00 WT1 O ATOM 20981 H1 TIP3 7160 69.180 43.649 -12.214 1.00 0.00 WT1 H ATOM 20982 H2 TIP3 7160 70.321 43.958 -11.269 1.00 0.00 WT1 H ATOM 20983 OH2 TIP3 7161 85.076 38.760 15.210 1.00 0.00 WT1 O ATOM 20984 H1 TIP3 7161 85.129 37.839 15.465 1.00 0.00 WT1 H ATOM 20985 H2 TIP3 7161 84.516 39.162 15.874 1.00 0.00 WT1 H ATOM 20986 OH2 TIP3 7162 65.716 34.609 31.151 1.00 0.00 WT1 O ATOM 20987 H1 TIP3 7162 65.801 35.185 31.910 1.00 0.00 WT1 H ATOM 20988 H2 TIP3 7162 64.782 34.401 31.111 1.00 0.00 WT1 H ATOM 20989 OH2 TIP3 7163 60.358 31.535 38.013 1.00 0.00 WT1 O ATOM 20990 H1 TIP3 7163 61.000 31.724 37.328 1.00 0.00 WT1 H ATOM 20991 H2 TIP3 7163 60.231 30.588 37.968 1.00 0.00 WT1 H ATOM 20992 OH2 TIP3 7164 39.244 36.340 40.233 1.00 0.00 WT1 O ATOM 20993 H1 TIP3 7164 38.673 36.489 40.987 1.00 0.00 WT1 H ATOM 20994 H2 TIP3 7164 38.846 36.849 39.526 1.00 0.00 WT1 H ATOM 20995 OH2 TIP3 7165 73.829 34.438 33.445 1.00 0.00 WT1 O ATOM 20996 H1 TIP3 7165 74.685 34.414 33.018 1.00 0.00 WT1 H ATOM 20997 H2 TIP3 7165 73.586 35.365 33.446 1.00 0.00 WT1 H ATOM 20998 OH2 TIP3 7166 68.412 45.458 -1.632 1.00 0.00 WT1 O ATOM 20999 H1 TIP3 7166 68.216 46.042 -0.899 1.00 0.00 WT1 H ATOM 21000 H2 TIP3 7166 68.499 44.593 -1.232 1.00 0.00 WT1 H ATOM 21001 OH2 TIP3 7167 46.145 4.880 58.668 1.00 0.00 WT1 O ATOM 21002 H1 TIP3 7167 46.258 4.955 59.616 1.00 0.00 WT1 H ATOM 21003 H2 TIP3 7167 45.691 5.684 58.416 1.00 0.00 WT1 H ATOM 21004 OH2 TIP3 7168 20.342 63.833 25.772 1.00 0.00 WT1 O ATOM 21005 H1 TIP3 7168 20.048 62.923 25.725 1.00 0.00 WT1 H ATOM 21006 H2 TIP3 7168 20.799 63.893 26.611 1.00 0.00 WT1 H ATOM 21007 OH2 TIP3 7169 50.605 27.952 -10.366 1.00 0.00 WT1 O ATOM 21008 H1 TIP3 7169 50.088 28.488 -9.764 1.00 0.00 WT1 H ATOM 21009 H2 TIP3 7169 50.176 27.097 -10.355 1.00 0.00 WT1 H ATOM 21010 OH2 TIP3 7170 69.714 26.284 -5.551 1.00 0.00 WT1 O ATOM 21011 H1 TIP3 7170 69.767 27.082 -6.077 1.00 0.00 WT1 H ATOM 21012 H2 TIP3 7170 70.625 26.018 -5.426 1.00 0.00 WT1 H ATOM 21013 OH2 TIP3 7171 25.335 82.611 59.915 1.00 0.00 WT1 O ATOM 21014 H1 TIP3 7171 26.087 83.199 59.837 1.00 0.00 WT1 H ATOM 21015 H2 TIP3 7171 25.703 81.735 59.800 1.00 0.00 WT1 H ATOM 21016 OH2 TIP3 7172 22.452 22.374 40.525 1.00 0.00 WT1 O ATOM 21017 H1 TIP3 7172 22.641 22.528 41.451 1.00 0.00 WT1 H ATOM 21018 H2 TIP3 7172 22.631 21.442 40.396 1.00 0.00 WT1 H ATOM 21019 OH2 TIP3 7173 87.764 73.839 60.266 1.00 0.00 WT1 O ATOM 21020 H1 TIP3 7173 88.638 73.804 60.654 1.00 0.00 WT1 H ATOM 21021 H2 TIP3 7173 87.771 74.630 59.728 1.00 0.00 WT1 H ATOM 21022 OH2 TIP3 7174 26.522 24.571 33.016 1.00 0.00 WT1 O ATOM 21023 H1 TIP3 7174 27.091 23.892 33.379 1.00 0.00 WT1 H ATOM 21024 H2 TIP3 7174 26.457 24.357 32.085 1.00 0.00 WT1 H ATOM 21025 OH2 TIP3 7175 36.185 89.605 13.429 1.00 0.00 WT1 O ATOM 21026 H1 TIP3 7175 37.041 89.180 13.366 1.00 0.00 WT1 H ATOM 21027 H2 TIP3 7175 35.595 88.912 13.726 1.00 0.00 WT1 H ATOM 21028 OH2 TIP3 7176 36.875 14.662 62.430 1.00 0.00 WT1 O ATOM 21029 H1 TIP3 7176 35.925 14.771 62.482 1.00 0.00 WT1 H ATOM 21030 H2 TIP3 7176 37.226 15.325 63.025 1.00 0.00 WT1 H ATOM 21031 OH2 TIP3 7177 45.718 73.492 58.983 1.00 0.00 WT1 O ATOM 21032 H1 TIP3 7177 46.582 73.750 59.304 1.00 0.00 WT1 H ATOM 21033 H2 TIP3 7177 45.708 73.771 58.068 1.00 0.00 WT1 H ATOM 21034 OH2 TIP3 7178 81.606 88.300 24.959 1.00 0.00 WT1 O ATOM 21035 H1 TIP3 7178 81.180 89.033 25.403 1.00 0.00 WT1 H ATOM 21036 H2 TIP3 7178 82.091 87.850 25.650 1.00 0.00 WT1 H ATOM 21037 OH2 TIP3 7179 46.710 94.163 19.558 1.00 0.00 WT1 O ATOM 21038 H1 TIP3 7179 46.343 94.494 18.739 1.00 0.00 WT1 H ATOM 21039 H2 TIP3 7179 47.658 94.236 19.444 1.00 0.00 WT1 H ATOM 21040 OH2 TIP3 7180 45.982 2.388 54.703 1.00 0.00 WT1 O ATOM 21041 H1 TIP3 7180 46.324 2.790 55.501 1.00 0.00 WT1 H ATOM 21042 H2 TIP3 7180 45.226 1.879 54.995 1.00 0.00 WT1 H ATOM 21043 OH2 TIP3 7181 69.555 3.246 59.000 1.00 0.00 WT1 O ATOM 21044 H1 TIP3 7181 69.134 4.064 58.736 1.00 0.00 WT1 H ATOM 21045 H2 TIP3 7181 70.338 3.192 58.452 1.00 0.00 WT1 H ATOM 21046 OH2 TIP3 7182 34.952 11.150 31.727 1.00 0.00 WT1 O ATOM 21047 H1 TIP3 7182 34.587 10.335 31.384 1.00 0.00 WT1 H ATOM 21048 H2 TIP3 7182 34.209 11.592 32.137 1.00 0.00 WT1 H ATOM 21049 OH2 TIP3 7183 36.411 29.236 31.947 1.00 0.00 WT1 O ATOM 21050 H1 TIP3 7183 36.845 29.713 32.655 1.00 0.00 WT1 H ATOM 21051 H2 TIP3 7183 36.539 28.313 32.165 1.00 0.00 WT1 H ATOM 21052 OH2 TIP3 7184 37.179 19.838 28.967 1.00 0.00 WT1 O ATOM 21053 H1 TIP3 7184 37.637 20.672 28.862 1.00 0.00 WT1 H ATOM 21054 H2 TIP3 7184 37.520 19.478 29.786 1.00 0.00 WT1 H ATOM 21055 OH2 TIP3 7185 54.136 10.695 14.423 1.00 0.00 WT1 O ATOM 21056 H1 TIP3 7185 54.476 10.140 15.126 1.00 0.00 WT1 H ATOM 21057 H2 TIP3 7185 54.422 11.578 14.655 1.00 0.00 WT1 H ATOM 21058 OH2 TIP3 7186 81.528 28.341 -17.011 1.00 0.00 WT1 O ATOM 21059 H1 TIP3 7186 82.355 28.505 -17.465 1.00 0.00 WT1 H ATOM 21060 H2 TIP3 7186 80.862 28.733 -17.576 1.00 0.00 WT1 H ATOM 21061 OH2 TIP3 7187 60.323 46.899 31.322 1.00 0.00 WT1 O ATOM 21062 H1 TIP3 7187 59.918 47.688 30.962 1.00 0.00 WT1 H ATOM 21063 H2 TIP3 7187 61.153 46.819 30.852 1.00 0.00 WT1 H ATOM 21064 OH2 TIP3 7188 63.076 48.211 25.495 1.00 0.00 WT1 O ATOM 21065 H1 TIP3 7188 62.428 48.901 25.352 1.00 0.00 WT1 H ATOM 21066 H2 TIP3 7188 62.849 47.533 24.858 1.00 0.00 WT1 H ATOM 21067 OH2 TIP3 7189 75.004 18.367 58.096 1.00 0.00 WT1 O ATOM 21068 H1 TIP3 7189 74.537 17.676 58.566 1.00 0.00 WT1 H ATOM 21069 H2 TIP3 7189 74.498 19.161 58.273 1.00 0.00 WT1 H ATOM 21070 OH2 TIP3 7190 69.656 9.462 1.192 1.00 0.00 WT1 O ATOM 21071 H1 TIP3 7190 69.232 10.250 0.853 1.00 0.00 WT1 H ATOM 21072 H2 TIP3 7190 69.900 9.688 2.090 1.00 0.00 WT1 H ATOM 21073 OH2 TIP3 7191 88.407 33.657 -0.719 1.00 0.00 WT1 O ATOM 21074 H1 TIP3 7191 88.455 32.780 -0.339 1.00 0.00 WT1 H ATOM 21075 H2 TIP3 7191 87.751 34.112 -0.190 1.00 0.00 WT1 H ATOM 21076 OH2 TIP3 7192 58.407 86.842 30.344 1.00 0.00 WT1 O ATOM 21077 H1 TIP3 7192 58.974 87.339 30.933 1.00 0.00 WT1 H ATOM 21078 H2 TIP3 7192 57.530 86.941 30.715 1.00 0.00 WT1 H ATOM 21079 OH2 TIP3 7193 31.686 40.054 20.814 1.00 0.00 WT1 O ATOM 21080 H1 TIP3 7193 31.725 39.405 21.516 1.00 0.00 WT1 H ATOM 21081 H2 TIP3 7193 30.766 40.316 20.780 1.00 0.00 WT1 H ATOM 21082 OH2 TIP3 7194 39.957 11.878 41.420 1.00 0.00 WT1 O ATOM 21083 H1 TIP3 7194 40.395 12.724 41.511 1.00 0.00 WT1 H ATOM 21084 H2 TIP3 7194 40.550 11.357 40.879 1.00 0.00 WT1 H ATOM 21085 OH2 TIP3 7195 80.870 80.041 23.780 1.00 0.00 WT1 O ATOM 21086 H1 TIP3 7195 81.386 80.520 24.429 1.00 0.00 WT1 H ATOM 21087 H2 TIP3 7195 81.138 79.129 23.886 1.00 0.00 WT1 H ATOM 21088 OH2 TIP3 7196 44.243 57.926 10.127 1.00 0.00 WT1 O ATOM 21089 H1 TIP3 7196 44.695 57.659 9.326 1.00 0.00 WT1 H ATOM 21090 H2 TIP3 7196 44.943 58.050 10.768 1.00 0.00 WT1 H ATOM 21091 OH2 TIP3 7197 88.401 40.603 59.317 1.00 0.00 WT1 O ATOM 21092 H1 TIP3 7197 89.281 40.834 59.018 1.00 0.00 WT1 H ATOM 21093 H2 TIP3 7197 88.305 39.679 59.087 1.00 0.00 WT1 H ATOM 21094 OH2 TIP3 7198 33.276 42.212 7.027 1.00 0.00 WT1 O ATOM 21095 H1 TIP3 7198 32.568 42.738 6.655 1.00 0.00 WT1 H ATOM 21096 H2 TIP3 7198 33.350 42.515 7.932 1.00 0.00 WT1 H ATOM 21097 OH2 TIP3 7199 90.194 4.257 -5.890 1.00 0.00 WT1 O ATOM 21098 H1 TIP3 7199 90.337 3.563 -6.533 1.00 0.00 WT1 H ATOM 21099 H2 TIP3 7199 89.242 4.341 -5.834 1.00 0.00 WT1 H ATOM 21100 OH2 TIP3 7200 82.300 22.290 0.568 1.00 0.00 WT1 O ATOM 21101 H1 TIP3 7200 82.967 22.822 1.002 1.00 0.00 WT1 H ATOM 21102 H2 TIP3 7200 81.582 22.242 1.199 1.00 0.00 WT1 H ATOM 21103 OH2 TIP3 7201 35.742 27.688 -2.704 1.00 0.00 WT1 O ATOM 21104 H1 TIP3 7201 36.034 27.356 -1.855 1.00 0.00 WT1 H ATOM 21105 H2 TIP3 7201 34.982 28.233 -2.500 1.00 0.00 WT1 H ATOM 21106 OH2 TIP3 7202 47.491 18.563 32.145 1.00 0.00 WT1 O ATOM 21107 H1 TIP3 7202 48.333 18.279 32.502 1.00 0.00 WT1 H ATOM 21108 H2 TIP3 7202 47.683 19.393 31.709 1.00 0.00 WT1 H ATOM 21109 OH2 TIP3 7203 55.953 51.773 47.754 1.00 0.00 WT1 O ATOM 21110 H1 TIP3 7203 56.477 51.873 46.959 1.00 0.00 WT1 H ATOM 21111 H2 TIP3 7203 56.571 51.923 48.469 1.00 0.00 WT1 H ATOM 21112 OH2 TIP3 7204 75.750 32.287 21.992 1.00 0.00 WT1 O ATOM 21113 H1 TIP3 7204 75.439 33.164 22.215 1.00 0.00 WT1 H ATOM 21114 H2 TIP3 7204 75.018 31.710 22.212 1.00 0.00 WT1 H ATOM 21115 OH2 TIP3 7205 63.149 12.455 -1.265 1.00 0.00 WT1 O ATOM 21116 H1 TIP3 7205 63.780 12.994 -1.742 1.00 0.00 WT1 H ATOM 21117 H2 TIP3 7205 62.667 13.075 -0.719 1.00 0.00 WT1 H ATOM 21118 OH2 TIP3 7206 46.253 16.926 25.686 1.00 0.00 WT1 O ATOM 21119 H1 TIP3 7206 45.332 16.721 25.525 1.00 0.00 WT1 H ATOM 21120 H2 TIP3 7206 46.425 17.697 25.145 1.00 0.00 WT1 H ATOM 21121 OH2 TIP3 7207 61.477 72.352 40.980 1.00 0.00 WT1 O ATOM 21122 H1 TIP3 7207 60.961 73.042 41.396 1.00 0.00 WT1 H ATOM 21123 H2 TIP3 7207 61.640 72.675 40.094 1.00 0.00 WT1 H ATOM 21124 OH2 TIP3 7208 68.717 50.451 -7.890 1.00 0.00 WT1 O ATOM 21125 H1 TIP3 7208 69.069 50.506 -7.001 1.00 0.00 WT1 H ATOM 21126 H2 TIP3 7208 68.109 51.187 -7.953 1.00 0.00 WT1 H ATOM 21127 OH2 TIP3 7209 47.270 16.870 22.116 1.00 0.00 WT1 O ATOM 21128 H1 TIP3 7209 46.901 17.618 22.585 1.00 0.00 WT1 H ATOM 21129 H2 TIP3 7209 46.532 16.503 21.629 1.00 0.00 WT1 H ATOM 21130 OH2 TIP3 7210 81.228 54.845 5.262 1.00 0.00 WT1 O ATOM 21131 H1 TIP3 7210 80.965 54.837 6.183 1.00 0.00 WT1 H ATOM 21132 H2 TIP3 7210 80.489 55.248 4.806 1.00 0.00 WT1 H ATOM 21133 OH2 TIP3 7211 41.543 47.065 19.363 1.00 0.00 WT1 O ATOM 21134 H1 TIP3 7211 41.797 47.986 19.305 1.00 0.00 WT1 H ATOM 21135 H2 TIP3 7211 42.312 46.626 19.726 1.00 0.00 WT1 H ATOM 21136 OH2 TIP3 7212 57.382 15.627 30.482 1.00 0.00 WT1 O ATOM 21137 H1 TIP3 7212 57.295 15.164 29.649 1.00 0.00 WT1 H ATOM 21138 H2 TIP3 7212 57.935 16.382 30.280 1.00 0.00 WT1 H ATOM 21139 OH2 TIP3 7213 37.864 79.352 2.725 1.00 0.00 WT1 O ATOM 21140 H1 TIP3 7213 38.484 80.030 2.456 1.00 0.00 WT1 H ATOM 21141 H2 TIP3 7213 38.405 78.686 3.149 1.00 0.00 WT1 H ATOM 21142 OH2 TIP3 7215 80.097 90.632 36.504 1.00 0.00 WT1 O ATOM 21143 H1 TIP3 7215 80.484 90.319 35.686 1.00 0.00 WT1 H ATOM 21144 H2 TIP3 7215 79.940 89.837 37.015 1.00 0.00 WT1 H ATOM 21145 OH2 TIP3 7216 85.673 61.483 65.624 1.00 0.00 WT1 O ATOM 21146 H1 TIP3 7216 86.014 60.714 65.168 1.00 0.00 WT1 H ATOM 21147 H2 TIP3 7216 84.736 61.309 65.721 1.00 0.00 WT1 H ATOM 21148 OH2 TIP3 7217 27.586 19.472 -16.003 1.00 0.00 WT1 O ATOM 21149 H1 TIP3 7217 27.057 20.169 -15.615 1.00 0.00 WT1 H ATOM 21150 H2 TIP3 7217 27.900 18.964 -15.255 1.00 0.00 WT1 H ATOM 21151 OH2 TIP3 7219 68.649 56.873 3.690 1.00 0.00 WT1 O ATOM 21152 H1 TIP3 7219 68.163 56.460 4.404 1.00 0.00 WT1 H ATOM 21153 H2 TIP3 7219 68.379 57.791 3.716 1.00 0.00 WT1 H ATOM 21154 OH2 TIP3 7220 31.713 65.383 45.824 1.00 0.00 WT1 O ATOM 21155 H1 TIP3 7220 30.953 64.805 45.893 1.00 0.00 WT1 H ATOM 21156 H2 TIP3 7220 31.788 65.571 44.889 1.00 0.00 WT1 H ATOM 21157 OH2 TIP3 7221 74.942 32.725 62.861 1.00 0.00 WT1 O ATOM 21158 H1 TIP3 7221 74.450 32.374 62.118 1.00 0.00 WT1 H ATOM 21159 H2 TIP3 7221 74.923 33.674 62.734 1.00 0.00 WT1 H ATOM 21160 OH2 TIP3 7222 76.766 79.790 59.733 1.00 0.00 WT1 O ATOM 21161 H1 TIP3 7222 76.058 79.196 59.983 1.00 0.00 WT1 H ATOM 21162 H2 TIP3 7222 76.322 80.535 59.327 1.00 0.00 WT1 H ATOM 21163 OH2 TIP3 7223 56.453 12.326 23.127 1.00 0.00 WT1 O ATOM 21164 H1 TIP3 7223 55.578 12.130 23.461 1.00 0.00 WT1 H ATOM 21165 H2 TIP3 7223 57.043 12.080 23.840 1.00 0.00 WT1 H ATOM 21166 OH2 TIP3 7224 45.300 0.527 -14.357 1.00 0.00 WT1 O ATOM 21167 H1 TIP3 7224 44.502 0.999 -14.120 1.00 0.00 WT1 H ATOM 21168 H2 TIP3 7224 45.632 0.184 -13.527 1.00 0.00 WT1 H ATOM 21169 OH2 TIP3 7225 44.839 87.627 54.806 1.00 0.00 WT1 O ATOM 21170 H1 TIP3 7225 44.628 87.282 55.673 1.00 0.00 WT1 H ATOM 21171 H2 TIP3 7225 45.720 87.299 54.625 1.00 0.00 WT1 H ATOM 21172 OH2 TIP3 7226 89.826 31.032 48.184 1.00 0.00 WT1 O ATOM 21173 H1 TIP3 7226 89.650 30.383 48.865 1.00 0.00 WT1 H ATOM 21174 H2 TIP3 7226 90.191 31.781 48.654 1.00 0.00 WT1 H ATOM 21175 OH2 TIP3 7227 77.000 28.349 -8.899 1.00 0.00 WT1 O ATOM 21176 H1 TIP3 7227 77.554 28.896 -8.342 1.00 0.00 WT1 H ATOM 21177 H2 TIP3 7227 76.113 28.676 -8.749 1.00 0.00 WT1 H ATOM 21178 OH2 TIP3 7228 62.542 42.091 8.793 1.00 0.00 WT1 O ATOM 21179 H1 TIP3 7228 62.842 42.405 9.646 1.00 0.00 WT1 H ATOM 21180 H2 TIP3 7228 62.708 41.148 8.813 1.00 0.00 WT1 H ATOM 21181 OH2 TIP3 7229 35.828 96.565 1.313 1.00 0.00 WT1 O ATOM 21182 H1 TIP3 7229 35.016 96.766 1.780 1.00 0.00 WT1 H ATOM 21183 H2 TIP3 7229 36.383 96.144 1.969 1.00 0.00 WT1 H ATOM 21184 OH2 TIP3 7230 38.495 28.009 8.753 1.00 0.00 WT1 O ATOM 21185 H1 TIP3 7230 38.230 28.865 8.414 1.00 0.00 WT1 H ATOM 21186 H2 TIP3 7230 37.987 27.901 9.556 1.00 0.00 WT1 H ATOM 21187 OH2 TIP3 7231 53.964 28.308 2.048 1.00 0.00 WT1 O ATOM 21188 H1 TIP3 7231 54.149 28.421 1.116 1.00 0.00 WT1 H ATOM 21189 H2 TIP3 7231 54.748 28.636 2.489 1.00 0.00 WT1 H ATOM 21190 OH2 TIP3 7232 67.479 42.453 51.767 1.00 0.00 WT1 O ATOM 21191 H1 TIP3 7232 67.218 42.785 52.626 1.00 0.00 WT1 H ATOM 21192 H2 TIP3 7232 68.053 41.712 51.960 1.00 0.00 WT1 H ATOM 21193 OH2 TIP3 7233 54.729 48.578 -3.448 1.00 0.00 WT1 O ATOM 21194 H1 TIP3 7233 54.037 48.080 -3.014 1.00 0.00 WT1 H ATOM 21195 H2 TIP3 7233 54.414 49.482 -3.444 1.00 0.00 WT1 H ATOM 21196 OH2 TIP3 7234 43.724 12.665 16.222 1.00 0.00 WT1 O ATOM 21197 H1 TIP3 7234 44.555 12.709 15.748 1.00 0.00 WT1 H ATOM 21198 H2 TIP3 7234 43.209 13.391 15.872 1.00 0.00 WT1 H ATOM 21199 OH2 TIP3 7235 40.765 4.794 -7.430 1.00 0.00 WT1 O ATOM 21200 H1 TIP3 7235 39.850 4.621 -7.208 1.00 0.00 WT1 H ATOM 21201 H2 TIP3 7235 41.045 5.454 -6.796 1.00 0.00 WT1 H ATOM 21202 OH2 TIP3 7236 87.429 21.606 54.147 1.00 0.00 WT1 O ATOM 21203 H1 TIP3 7236 87.971 22.349 54.413 1.00 0.00 WT1 H ATOM 21204 H2 TIP3 7236 88.037 21.010 53.709 1.00 0.00 WT1 H ATOM 21205 OH2 TIP3 7237 32.935 64.916 4.982 1.00 0.00 WT1 O ATOM 21206 H1 TIP3 7237 33.713 65.470 4.923 1.00 0.00 WT1 H ATOM 21207 H2 TIP3 7237 33.004 64.495 5.838 1.00 0.00 WT1 H ATOM 21208 OH2 TIP3 7238 27.699 15.960 6.266 1.00 0.00 WT1 O ATOM 21209 H1 TIP3 7238 28.613 15.931 6.548 1.00 0.00 WT1 H ATOM 21210 H2 TIP3 7238 27.653 16.714 5.678 1.00 0.00 WT1 H ATOM 21211 OH2 TIP3 7239 26.850 65.960 0.644 1.00 0.00 WT1 O ATOM 21212 H1 TIP3 7239 26.617 66.217 1.536 1.00 0.00 WT1 H ATOM 21213 H2 TIP3 7239 27.785 66.155 0.575 1.00 0.00 WT1 H ATOM 21214 OH2 TIP3 7240 77.659 16.206 45.352 1.00 0.00 WT1 O ATOM 21215 H1 TIP3 7240 76.797 16.302 44.948 1.00 0.00 WT1 H ATOM 21216 H2 TIP3 7240 78.268 16.183 44.614 1.00 0.00 WT1 H ATOM 21217 OH2 TIP3 7241 60.212 22.355 16.709 1.00 0.00 WT1 O ATOM 21218 H1 TIP3 7241 59.437 22.564 17.231 1.00 0.00 WT1 H ATOM 21219 H2 TIP3 7241 60.383 23.151 16.205 1.00 0.00 WT1 H ATOM 21220 OH2 TIP3 7242 88.250 38.446 48.489 1.00 0.00 WT1 O ATOM 21221 H1 TIP3 7242 88.730 37.619 48.438 1.00 0.00 WT1 H ATOM 21222 H2 TIP3 7242 88.252 38.668 49.420 1.00 0.00 WT1 H ATOM 21223 OH2 TIP3 7243 37.039 85.972 38.410 1.00 0.00 WT1 O ATOM 21224 H1 TIP3 7243 37.113 86.272 37.503 1.00 0.00 WT1 H ATOM 21225 H2 TIP3 7243 37.945 85.865 38.701 1.00 0.00 WT1 H ATOM 21226 OH2 TIP3 7244 70.400 46.076 34.135 1.00 0.00 WT1 O ATOM 21227 H1 TIP3 7244 70.082 46.817 33.619 1.00 0.00 WT1 H ATOM 21228 H2 TIP3 7244 70.063 45.304 33.679 1.00 0.00 WT1 H ATOM 21229 OH2 TIP3 7245 39.141 16.403 -14.962 1.00 0.00 WT1 O ATOM 21230 H1 TIP3 7245 39.996 16.253 -15.366 1.00 0.00 WT1 H ATOM 21231 H2 TIP3 7245 39.126 15.815 -14.207 1.00 0.00 WT1 H ATOM 21232 OH2 TIP3 7246 69.365 32.995 39.590 1.00 0.00 WT1 O ATOM 21233 H1 TIP3 7246 68.880 33.736 39.952 1.00 0.00 WT1 H ATOM 21234 H2 TIP3 7246 69.889 33.373 38.883 1.00 0.00 WT1 H ATOM 21235 OH2 TIP3 7247 61.210 29.310 41.193 1.00 0.00 WT1 O ATOM 21236 H1 TIP3 7247 60.759 30.137 41.363 1.00 0.00 WT1 H ATOM 21237 H2 TIP3 7247 60.568 28.778 40.725 1.00 0.00 WT1 H ATOM 21238 OH2 TIP3 7248 20.166 68.105 32.809 1.00 0.00 WT1 O ATOM 21239 H1 TIP3 7248 19.913 68.704 32.107 1.00 0.00 WT1 H ATOM 21240 H2 TIP3 7248 21.122 68.139 32.821 1.00 0.00 WT1 H ATOM 21241 OH2 TIP3 7249 27.196 53.041 -12.664 1.00 0.00 WT1 O ATOM 21242 H1 TIP3 7249 27.634 53.577 -12.003 1.00 0.00 WT1 H ATOM 21243 H2 TIP3 7249 26.393 52.743 -12.238 1.00 0.00 WT1 H ATOM 21244 OH2 TIP3 7250 33.212 5.566 9.174 1.00 0.00 WT1 O ATOM 21245 H1 TIP3 7250 33.731 5.995 9.854 1.00 0.00 WT1 H ATOM 21246 H2 TIP3 7250 33.640 5.814 8.354 1.00 0.00 WT1 H ATOM 21247 OH2 TIP3 7251 47.698 6.422 -6.538 1.00 0.00 WT1 O ATOM 21248 H1 TIP3 7251 47.097 7.054 -6.933 1.00 0.00 WT1 H ATOM 21249 H2 TIP3 7251 47.969 6.830 -5.716 1.00 0.00 WT1 H ATOM 21250 OH2 TIP3 7252 76.708 42.784 40.606 1.00 0.00 WT1 O ATOM 21251 H1 TIP3 7252 77.495 43.305 40.765 1.00 0.00 WT1 H ATOM 21252 H2 TIP3 7252 76.947 42.200 39.887 1.00 0.00 WT1 H ATOM 21253 OH2 TIP3 7253 89.527 33.798 40.930 1.00 0.00 WT1 O ATOM 21254 H1 TIP3 7253 89.670 34.714 41.167 1.00 0.00 WT1 H ATOM 21255 H2 TIP3 7253 90.406 33.424 40.873 1.00 0.00 WT1 H ATOM 21256 OH2 TIP3 7254 37.354 83.508 59.505 1.00 0.00 WT1 O ATOM 21257 H1 TIP3 7254 36.451 83.222 59.366 1.00 0.00 WT1 H ATOM 21258 H2 TIP3 7254 37.854 83.064 58.821 1.00 0.00 WT1 H ATOM 21259 OH2 TIP3 7255 81.667 51.644 9.967 1.00 0.00 WT1 O ATOM 21260 H1 TIP3 7255 80.968 50.993 10.011 1.00 0.00 WT1 H ATOM 21261 H2 TIP3 7255 81.239 52.472 10.184 1.00 0.00 WT1 H ATOM 21262 OH2 TIP3 7256 29.055 35.699 1.340 1.00 0.00 WT1 O ATOM 21263 H1 TIP3 7256 28.857 34.762 1.361 1.00 0.00 WT1 H ATOM 21264 H2 TIP3 7256 29.735 35.785 0.672 1.00 0.00 WT1 H ATOM 21265 OH2 TIP3 7257 37.001 77.902 26.376 1.00 0.00 WT1 O ATOM 21266 H1 TIP3 7257 37.239 78.439 25.621 1.00 0.00 WT1 H ATOM 21267 H2 TIP3 7257 37.835 77.561 26.700 1.00 0.00 WT1 H ATOM 21268 OH2 TIP3 7258 72.966 73.714 66.451 1.00 0.00 WT1 O ATOM 21269 H1 TIP3 7258 73.034 73.307 65.588 1.00 0.00 WT1 H ATOM 21270 H2 TIP3 7258 72.361 74.446 66.324 1.00 0.00 WT1 H ATOM 21271 OH2 TIP3 7259 87.030 84.811 6.414 1.00 0.00 WT1 O ATOM 21272 H1 TIP3 7259 86.333 84.187 6.208 1.00 0.00 WT1 H ATOM 21273 H2 TIP3 7259 86.677 85.337 7.131 1.00 0.00 WT1 H ATOM 21274 OH2 TIP3 7260 75.236 47.368 -3.498 1.00 0.00 WT1 O ATOM 21275 H1 TIP3 7260 75.487 46.834 -2.744 1.00 0.00 WT1 H ATOM 21276 H2 TIP3 7260 76.025 47.867 -3.711 1.00 0.00 WT1 H ATOM 21277 OH2 TIP3 7261 31.649 10.898 42.428 1.00 0.00 WT1 O ATOM 21278 H1 TIP3 7261 31.032 10.427 42.988 1.00 0.00 WT1 H ATOM 21279 H2 TIP3 7261 31.096 11.403 41.832 1.00 0.00 WT1 H ATOM 21280 OH2 TIP3 7264 58.245 94.894 36.859 1.00 0.00 WT1 O ATOM 21281 H1 TIP3 7264 58.553 94.080 36.459 1.00 0.00 WT1 H ATOM 21282 H2 TIP3 7264 57.393 95.052 36.453 1.00 0.00 WT1 H ATOM 21283 OH2 TIP3 7265 88.170 53.842 53.825 1.00 0.00 WT1 O ATOM 21284 H1 TIP3 7265 88.096 53.593 52.904 1.00 0.00 WT1 H ATOM 21285 H2 TIP3 7265 88.345 54.783 53.806 1.00 0.00 WT1 H ATOM 21286 OH2 TIP3 7266 52.186 43.089 32.991 1.00 0.00 WT1 O ATOM 21287 H1 TIP3 7266 52.072 42.332 33.565 1.00 0.00 WT1 H ATOM 21288 H2 TIP3 7266 52.687 42.754 32.247 1.00 0.00 WT1 H ATOM 21289 OH2 TIP3 7267 72.958 76.681 63.273 1.00 0.00 WT1 O ATOM 21290 H1 TIP3 7267 72.618 76.127 62.571 1.00 0.00 WT1 H ATOM 21291 H2 TIP3 7267 73.856 76.377 63.405 1.00 0.00 WT1 H ATOM 21292 OH2 TIP3 7268 74.540 12.761 62.680 1.00 0.00 WT1 O ATOM 21293 H1 TIP3 7268 73.663 12.925 63.026 1.00 0.00 WT1 H ATOM 21294 H2 TIP3 7268 74.824 13.606 62.332 1.00 0.00 WT1 H ATOM 21295 OH2 TIP3 7269 79.832 7.865 55.753 1.00 0.00 WT1 O ATOM 21296 H1 TIP3 7269 79.451 7.193 55.188 1.00 0.00 WT1 H ATOM 21297 H2 TIP3 7269 80.763 7.867 55.529 1.00 0.00 WT1 H ATOM 21298 OH2 TIP3 7270 51.498 44.669 -16.210 1.00 0.00 WT1 O ATOM 21299 H1 TIP3 7270 51.811 45.512 -15.883 1.00 0.00 WT1 H ATOM 21300 H2 TIP3 7270 52.117 44.030 -15.855 1.00 0.00 WT1 H ATOM 21301 OH2 TIP3 7271 54.989 51.409 0.075 1.00 0.00 WT1 O ATOM 21302 H1 TIP3 7271 55.087 51.118 0.982 1.00 0.00 WT1 H ATOM 21303 H2 TIP3 7271 54.289 52.062 0.107 1.00 0.00 WT1 H ATOM 21304 OH2 TIP3 7272 21.183 10.148 -19.968 1.00 0.00 WT1 O ATOM 21305 H1 TIP3 7272 21.206 9.459 -19.303 1.00 0.00 WT1 H ATOM 21306 H2 TIP3 7272 22.046 10.559 -19.917 1.00 0.00 WT1 H ATOM 21307 OH2 TIP3 7273 64.545 49.614 -18.840 1.00 0.00 WT1 O ATOM 21308 H1 TIP3 7273 64.604 49.292 -17.941 1.00 0.00 WT1 H ATOM 21309 H2 TIP3 7273 64.011 50.406 -18.777 1.00 0.00 WT1 H ATOM 21310 OH2 TIP3 7275 65.100 41.866 34.044 1.00 0.00 WT1 O ATOM 21311 H1 TIP3 7275 64.940 42.809 34.032 1.00 0.00 WT1 H ATOM 21312 H2 TIP3 7275 64.449 41.504 33.443 1.00 0.00 WT1 H ATOM 21313 OH2 TIP3 7276 89.749 33.526 49.755 1.00 0.00 WT1 O ATOM 21314 H1 TIP3 7276 89.387 33.688 50.626 1.00 0.00 WT1 H ATOM 21315 H2 TIP3 7276 89.945 34.398 49.411 1.00 0.00 WT1 H ATOM 21316 OH2 TIP3 7277 40.347 24.176 38.441 1.00 0.00 WT1 O ATOM 21317 H1 TIP3 7277 40.126 23.860 37.565 1.00 0.00 WT1 H ATOM 21318 H2 TIP3 7277 40.819 24.995 38.288 1.00 0.00 WT1 H ATOM 21319 OH2 TIP3 7278 55.314 27.054 -11.091 1.00 0.00 WT1 O ATOM 21320 H1 TIP3 7278 55.835 27.103 -10.290 1.00 0.00 WT1 H ATOM 21321 H2 TIP3 7278 55.328 27.945 -11.441 1.00 0.00 WT1 H ATOM 21322 OH2 TIP3 7279 61.937 42.730 35.125 1.00 0.00 WT1 O ATOM 21323 H1 TIP3 7279 62.138 42.308 34.289 1.00 0.00 WT1 H ATOM 21324 H2 TIP3 7279 61.465 43.527 34.884 1.00 0.00 WT1 H ATOM 21325 OH2 TIP3 7280 52.481 24.418 45.389 1.00 0.00 WT1 O ATOM 21326 H1 TIP3 7280 53.252 24.470 44.823 1.00 0.00 WT1 H ATOM 21327 H2 TIP3 7280 52.834 24.439 46.278 1.00 0.00 WT1 H ATOM 21328 OH2 TIP3 7281 41.127 78.058 50.890 1.00 0.00 WT1 O ATOM 21329 H1 TIP3 7281 40.234 78.278 50.624 1.00 0.00 WT1 H ATOM 21330 H2 TIP3 7281 41.225 77.135 50.658 1.00 0.00 WT1 H ATOM 21331 OH2 TIP3 7282 25.927 36.853 -13.900 1.00 0.00 WT1 O ATOM 21332 H1 TIP3 7282 25.327 36.179 -14.221 1.00 0.00 WT1 H ATOM 21333 H2 TIP3 7282 26.630 36.876 -14.549 1.00 0.00 WT1 H ATOM 21334 OH2 TIP3 7283 74.937 54.063 12.201 1.00 0.00 WT1 O ATOM 21335 H1 TIP3 7283 73.998 53.949 12.053 1.00 0.00 WT1 H ATOM 21336 H2 TIP3 7283 75.002 54.371 13.105 1.00 0.00 WT1 H ATOM 21337 OH2 TIP3 7284 23.453 94.618 31.036 1.00 0.00 WT1 O ATOM 21338 H1 TIP3 7284 23.385 93.750 31.434 1.00 0.00 WT1 H ATOM 21339 H2 TIP3 7284 24.186 95.034 31.490 1.00 0.00 WT1 H ATOM 21340 OH2 TIP3 7285 77.969 88.487 35.463 1.00 0.00 WT1 O ATOM 21341 H1 TIP3 7285 77.841 87.766 34.847 1.00 0.00 WT1 H ATOM 21342 H2 TIP3 7285 77.282 89.116 35.243 1.00 0.00 WT1 H ATOM 21343 OH2 TIP3 7286 20.961 53.113 47.407 1.00 0.00 WT1 O ATOM 21344 H1 TIP3 7286 21.518 52.421 47.052 1.00 0.00 WT1 H ATOM 21345 H2 TIP3 7286 21.574 53.792 47.690 1.00 0.00 WT1 H ATOM 21346 OH2 TIP3 7287 67.864 50.104 16.552 1.00 0.00 WT1 O ATOM 21347 H1 TIP3 7287 68.221 49.331 16.988 1.00 0.00 WT1 H ATOM 21348 H2 TIP3 7287 66.925 50.071 16.735 1.00 0.00 WT1 H ATOM 21349 OH2 TIP3 7288 86.444 33.134 -13.110 1.00 0.00 WT1 O ATOM 21350 H1 TIP3 7288 86.678 33.179 -12.183 1.00 0.00 WT1 H ATOM 21351 H2 TIP3 7288 86.142 34.017 -13.325 1.00 0.00 WT1 H ATOM 21352 OH2 TIP3 7289 85.841 95.436 -9.755 1.00 0.00 WT1 O ATOM 21353 H1 TIP3 7289 85.634 94.513 -9.609 1.00 0.00 WT1 H ATOM 21354 H2 TIP3 7289 86.786 95.448 -9.908 1.00 0.00 WT1 H ATOM 21355 OH2 TIP3 7290 62.834 29.424 26.255 1.00 0.00 WT1 O ATOM 21356 H1 TIP3 7290 63.048 30.330 26.031 1.00 0.00 WT1 H ATOM 21357 H2 TIP3 7290 63.384 28.897 25.676 1.00 0.00 WT1 H ATOM 21358 OH2 TIP3 7291 61.436 35.275 27.908 1.00 0.00 WT1 O ATOM 21359 H1 TIP3 7291 62.350 35.537 28.019 1.00 0.00 WT1 H ATOM 21360 H2 TIP3 7291 61.013 36.038 27.514 1.00 0.00 WT1 H ATOM 21361 OH2 TIP3 7293 74.341 15.787 -10.332 1.00 0.00 WT1 O ATOM 21362 H1 TIP3 7293 75.210 15.410 -10.193 1.00 0.00 WT1 H ATOM 21363 H2 TIP3 7293 74.425 16.292 -11.141 1.00 0.00 WT1 H ATOM 21364 OH2 TIP3 7294 86.077 61.246 8.958 1.00 0.00 WT1 O ATOM 21365 H1 TIP3 7294 85.821 60.379 8.644 1.00 0.00 WT1 H ATOM 21366 H2 TIP3 7294 87.026 61.188 9.075 1.00 0.00 WT1 H ATOM 21367 OH2 TIP3 7295 90.650 58.099 34.747 1.00 0.00 WT1 O ATOM 21368 H1 TIP3 7295 90.616 57.269 35.222 1.00 0.00 WT1 H ATOM 21369 H2 TIP3 7295 89.784 58.485 34.874 1.00 0.00 WT1 H ATOM 21370 OH2 TIP3 7297 51.641 1.130 16.213 1.00 0.00 WT1 O ATOM 21371 H1 TIP3 7297 51.774 0.352 15.672 1.00 0.00 WT1 H ATOM 21372 H2 TIP3 7297 51.111 1.713 15.669 1.00 0.00 WT1 H ATOM 21373 OH2 TIP3 7298 34.938 12.337 3.810 1.00 0.00 WT1 O ATOM 21374 H1 TIP3 7298 34.784 12.805 2.989 1.00 0.00 WT1 H ATOM 21375 H2 TIP3 7298 35.535 11.627 3.573 1.00 0.00 WT1 H ATOM 21376 OH2 TIP3 7299 56.740 25.380 -0.276 1.00 0.00 WT1 O ATOM 21377 H1 TIP3 7299 56.107 26.083 -0.127 1.00 0.00 WT1 H ATOM 21378 H2 TIP3 7299 56.228 24.676 -0.673 1.00 0.00 WT1 H ATOM 21379 OH2 TIP3 7300 67.314 90.608 -3.429 1.00 0.00 WT1 O ATOM 21380 H1 TIP3 7300 66.666 90.582 -2.725 1.00 0.00 WT1 H ATOM 21381 H2 TIP3 7300 66.795 90.648 -4.232 1.00 0.00 WT1 H ATOM 21382 OH2 TIP3 7301 87.180 92.109 -3.315 1.00 0.00 WT1 O ATOM 21383 H1 TIP3 7301 87.785 91.383 -3.162 1.00 0.00 WT1 H ATOM 21384 H2 TIP3 7301 87.386 92.742 -2.628 1.00 0.00 WT1 H ATOM 21385 OH2 TIP3 7302 79.153 34.094 10.455 1.00 0.00 WT1 O ATOM 21386 H1 TIP3 7302 79.767 33.496 10.883 1.00 0.00 WT1 H ATOM 21387 H2 TIP3 7302 79.538 34.961 10.579 1.00 0.00 WT1 H ATOM 21388 OH2 TIP3 7304 85.715 33.739 33.273 1.00 0.00 WT1 O ATOM 21389 H1 TIP3 7304 86.652 33.900 33.161 1.00 0.00 WT1 H ATOM 21390 H2 TIP3 7304 85.666 33.084 33.969 1.00 0.00 WT1 H ATOM 21391 OH2 TIP3 7305 85.549 32.261 -3.333 1.00 0.00 WT1 O ATOM 21392 H1 TIP3 7305 84.753 32.276 -3.863 1.00 0.00 WT1 H ATOM 21393 H2 TIP3 7305 85.999 33.077 -3.552 1.00 0.00 WT1 H ATOM 21394 OH2 TIP3 7306 84.097 96.551 0.461 1.00 0.00 WT1 O ATOM 21395 H1 TIP3 7306 83.367 96.298 -0.105 1.00 0.00 WT1 H ATOM 21396 H2 TIP3 7306 84.773 95.896 0.290 1.00 0.00 WT1 H ATOM 21397 OH2 TIP3 7307 48.479 36.965 -4.465 1.00 0.00 WT1 O ATOM 21398 H1 TIP3 7307 47.868 37.341 -3.832 1.00 0.00 WT1 H ATOM 21399 H2 TIP3 7307 48.874 37.723 -4.896 1.00 0.00 WT1 H ATOM 21400 OH2 TIP3 7309 28.570 35.657 38.109 1.00 0.00 WT1 O ATOM 21401 H1 TIP3 7309 27.783 36.077 37.763 1.00 0.00 WT1 H ATOM 21402 H2 TIP3 7309 29.015 35.308 37.337 1.00 0.00 WT1 H ATOM 21403 OH2 TIP3 7310 35.179 56.039 17.008 1.00 0.00 WT1 O ATOM 21404 H1 TIP3 7310 35.954 55.812 17.521 1.00 0.00 WT1 H ATOM 21405 H2 TIP3 7310 35.474 56.738 16.424 1.00 0.00 WT1 H ATOM 21406 OH2 TIP3 7312 88.852 60.782 8.933 1.00 0.00 WT1 O ATOM 21407 H1 TIP3 7312 89.608 61.358 8.820 1.00 0.00 WT1 H ATOM 21408 H2 TIP3 7312 88.698 60.415 8.062 1.00 0.00 WT1 H ATOM 21409 OH2 TIP3 7313 90.521 95.034 55.733 1.00 0.00 WT1 O ATOM 21410 H1 TIP3 7313 89.891 94.986 56.452 1.00 0.00 WT1 H ATOM 21411 H2 TIP3 7313 91.245 95.555 56.082 1.00 0.00 WT1 H ATOM 21412 OH2 TIP3 7314 34.391 14.166 64.264 1.00 0.00 WT1 O ATOM 21413 H1 TIP3 7314 34.356 13.213 64.177 1.00 0.00 WT1 H ATOM 21414 H2 TIP3 7314 33.838 14.492 63.554 1.00 0.00 WT1 H ATOM 21415 OH2 TIP3 7315 47.502 8.709 40.442 1.00 0.00 WT1 O ATOM 21416 H1 TIP3 7315 48.245 8.159 40.195 1.00 0.00 WT1 H ATOM 21417 H2 TIP3 7315 47.873 9.361 41.036 1.00 0.00 WT1 H ATOM 21418 OH2 TIP3 7318 82.711 41.161 51.370 1.00 0.00 WT1 O ATOM 21419 H1 TIP3 7318 82.647 42.104 51.221 1.00 0.00 WT1 H ATOM 21420 H2 TIP3 7318 82.060 40.980 52.048 1.00 0.00 WT1 H ATOM 21421 OH2 TIP3 7319 59.425 63.014 21.052 1.00 0.00 WT1 O ATOM 21422 H1 TIP3 7319 59.592 63.913 20.769 1.00 0.00 WT1 H ATOM 21423 H2 TIP3 7319 59.500 62.493 20.252 1.00 0.00 WT1 H ATOM 21424 OH2 TIP3 7320 65.326 6.983 49.610 1.00 0.00 WT1 O ATOM 21425 H1 TIP3 7320 64.522 6.934 50.126 1.00 0.00 WT1 H ATOM 21426 H2 TIP3 7320 65.316 6.190 49.073 1.00 0.00 WT1 H ATOM 21427 OH2 TIP3 7322 79.599 59.887 41.716 1.00 0.00 WT1 O ATOM 21428 H1 TIP3 7322 79.746 60.755 41.341 1.00 0.00 WT1 H ATOM 21429 H2 TIP3 7322 79.701 59.287 40.977 1.00 0.00 WT1 H ATOM 21430 OH2 TIP3 7323 80.795 50.774 -8.513 1.00 0.00 WT1 O ATOM 21431 H1 TIP3 7323 80.914 50.144 -7.802 1.00 0.00 WT1 H ATOM 21432 H2 TIP3 7323 81.585 51.313 -8.490 1.00 0.00 WT1 H ATOM 21433 OH2 TIP3 7324 38.790 79.649 -17.570 1.00 0.00 WT1 O ATOM 21434 H1 TIP3 7324 38.562 80.442 -17.085 1.00 0.00 WT1 H ATOM 21435 H2 TIP3 7324 39.249 79.102 -16.932 1.00 0.00 WT1 H ATOM 21436 OH2 TIP3 7325 89.983 30.524 3.613 1.00 0.00 WT1 O ATOM 21437 H1 TIP3 7325 90.740 31.098 3.501 1.00 0.00 WT1 H ATOM 21438 H2 TIP3 7325 90.096 29.844 2.948 1.00 0.00 WT1 H ATOM 21439 OH2 TIP3 7326 32.432 19.442 35.901 1.00 0.00 WT1 O ATOM 21440 H1 TIP3 7326 32.841 19.905 35.169 1.00 0.00 WT1 H ATOM 21441 H2 TIP3 7326 32.222 20.130 36.532 1.00 0.00 WT1 H ATOM 21442 OH2 TIP3 7328 70.261 17.136 7.429 1.00 0.00 WT1 O ATOM 21443 H1 TIP3 7328 70.436 18.071 7.535 1.00 0.00 WT1 H ATOM 21444 H2 TIP3 7328 71.087 16.710 7.657 1.00 0.00 WT1 H ATOM 21445 OH2 TIP3 7329 36.360 18.074 -5.248 1.00 0.00 WT1 O ATOM 21446 H1 TIP3 7329 36.954 18.563 -5.818 1.00 0.00 WT1 H ATOM 21447 H2 TIP3 7329 35.785 17.602 -5.850 1.00 0.00 WT1 H ATOM 21448 OH2 TIP3 7330 56.999 56.573 -4.460 1.00 0.00 WT1 O ATOM 21449 H1 TIP3 7330 56.088 56.617 -4.171 1.00 0.00 WT1 H ATOM 21450 H2 TIP3 7330 57.502 56.459 -3.653 1.00 0.00 WT1 H ATOM 21451 OH2 TIP3 7331 26.384 19.336 -4.271 1.00 0.00 WT1 O ATOM 21452 H1 TIP3 7331 25.707 19.639 -3.665 1.00 0.00 WT1 H ATOM 21453 H2 TIP3 7331 27.068 18.976 -3.706 1.00 0.00 WT1 H ATOM 21454 OH2 TIP3 7332 60.587 48.760 53.391 1.00 0.00 WT1 O ATOM 21455 H1 TIP3 7332 61.109 47.962 53.314 1.00 0.00 WT1 H ATOM 21456 H2 TIP3 7332 59.716 48.454 53.644 1.00 0.00 WT1 H ATOM 21457 OH2 TIP3 7333 73.510 55.849 40.686 1.00 0.00 WT1 O ATOM 21458 H1 TIP3 7333 72.969 55.769 39.900 1.00 0.00 WT1 H ATOM 21459 H2 TIP3 7333 73.790 56.764 40.693 1.00 0.00 WT1 H ATOM 21460 OH2 TIP3 7334 77.988 66.342 16.772 1.00 0.00 WT1 O ATOM 21461 H1 TIP3 7334 77.148 65.892 16.860 1.00 0.00 WT1 H ATOM 21462 H2 TIP3 7334 78.259 66.522 17.673 1.00 0.00 WT1 H ATOM 21463 OH2 TIP3 7335 66.270 49.246 -0.457 1.00 0.00 WT1 O ATOM 21464 H1 TIP3 7335 65.327 49.405 -0.483 1.00 0.00 WT1 H ATOM 21465 H2 TIP3 7335 66.642 50.057 -0.112 1.00 0.00 WT1 H ATOM 21466 OH2 TIP3 7336 77.470 45.763 42.633 1.00 0.00 WT1 O ATOM 21467 H1 TIP3 7336 77.078 45.405 41.836 1.00 0.00 WT1 H ATOM 21468 H2 TIP3 7336 76.853 46.435 42.922 1.00 0.00 WT1 H ATOM 21469 OH2 TIP3 7337 23.485 59.518 15.317 1.00 0.00 WT1 O ATOM 21470 H1 TIP3 7337 24.358 59.723 15.652 1.00 0.00 WT1 H ATOM 21471 H2 TIP3 7337 23.003 59.203 16.082 1.00 0.00 WT1 H ATOM 21472 OH2 TIP3 7338 83.898 24.620 59.646 1.00 0.00 WT1 O ATOM 21473 H1 TIP3 7338 83.183 25.248 59.753 1.00 0.00 WT1 H ATOM 21474 H2 TIP3 7338 83.813 24.311 58.744 1.00 0.00 WT1 H ATOM 21475 OH2 TIP3 7339 28.155 16.340 49.567 1.00 0.00 WT1 O ATOM 21476 H1 TIP3 7339 28.990 16.689 49.257 1.00 0.00 WT1 H ATOM 21477 H2 TIP3 7339 27.518 16.620 48.909 1.00 0.00 WT1 H ATOM 21478 OH2 TIP3 7340 31.916 77.981 61.048 1.00 0.00 WT1 O ATOM 21479 H1 TIP3 7340 32.866 78.043 60.949 1.00 0.00 WT1 H ATOM 21480 H2 TIP3 7340 31.790 77.397 61.795 1.00 0.00 WT1 H ATOM 21481 OH2 TIP3 7342 51.562 52.888 59.171 1.00 0.00 WT1 O ATOM 21482 H1 TIP3 7342 52.298 53.168 59.716 1.00 0.00 WT1 H ATOM 21483 H2 TIP3 7342 50.929 53.602 59.237 1.00 0.00 WT1 H ATOM 21484 OH2 TIP3 7343 37.461 47.975 -14.252 1.00 0.00 WT1 O ATOM 21485 H1 TIP3 7343 38.206 47.511 -13.871 1.00 0.00 WT1 H ATOM 21486 H2 TIP3 7343 37.710 48.119 -15.165 1.00 0.00 WT1 H ATOM 21487 OH2 TIP3 7344 67.193 58.194 -1.752 1.00 0.00 WT1 O ATOM 21488 H1 TIP3 7344 66.546 57.806 -1.162 1.00 0.00 WT1 H ATOM 21489 H2 TIP3 7344 67.797 58.659 -1.173 1.00 0.00 WT1 H ATOM 21490 OH2 TIP3 7346 75.305 4.346 60.755 1.00 0.00 WT1 O ATOM 21491 H1 TIP3 7346 75.922 3.671 60.471 1.00 0.00 WT1 H ATOM 21492 H2 TIP3 7346 74.508 3.865 60.977 1.00 0.00 WT1 H ATOM 21493 OH2 TIP3 7348 55.476 68.644 -19.650 1.00 0.00 WT1 O ATOM 21494 H1 TIP3 7348 56.207 68.036 -19.763 1.00 0.00 WT1 H ATOM 21495 H2 TIP3 7348 55.889 69.505 -19.580 1.00 0.00 WT1 H ATOM 21496 OH2 TIP3 7350 50.173 62.636 -19.381 1.00 0.00 WT1 O ATOM 21497 H1 TIP3 7350 50.225 63.405 -19.950 1.00 0.00 WT1 H ATOM 21498 H2 TIP3 7350 49.236 62.513 -19.229 1.00 0.00 WT1 H ATOM 21499 OH2 TIP3 7351 56.253 94.781 47.272 1.00 0.00 WT1 O ATOM 21500 H1 TIP3 7351 56.252 94.309 46.439 1.00 0.00 WT1 H ATOM 21501 H2 TIP3 7351 55.528 95.401 47.196 1.00 0.00 WT1 H ATOM 21502 OH2 TIP3 7352 33.855 96.932 60.628 1.00 0.00 WT1 O ATOM 21503 H1 TIP3 7352 33.852 96.188 60.026 1.00 0.00 WT1 H ATOM 21504 H2 TIP3 7352 33.651 96.550 61.482 1.00 0.00 WT1 H ATOM 21505 OH2 TIP3 7353 89.282 95.428 12.142 1.00 0.00 WT1 O ATOM 21506 H1 TIP3 7353 88.965 94.570 12.424 1.00 0.00 WT1 H ATOM 21507 H2 TIP3 7353 90.146 95.509 12.546 1.00 0.00 WT1 H ATOM 21508 OH2 TIP3 7354 81.995 35.166 -11.535 1.00 0.00 WT1 O ATOM 21509 H1 TIP3 7354 82.362 35.223 -12.417 1.00 0.00 WT1 H ATOM 21510 H2 TIP3 7354 81.062 35.005 -11.673 1.00 0.00 WT1 H ATOM 21511 OH2 TIP3 7355 84.576 38.835 -17.571 1.00 0.00 WT1 O ATOM 21512 H1 TIP3 7355 84.923 39.719 -17.691 1.00 0.00 WT1 H ATOM 21513 H2 TIP3 7355 83.829 38.948 -16.982 1.00 0.00 WT1 H ATOM 21514 OH2 TIP3 7356 26.067 41.718 64.155 1.00 0.00 WT1 O ATOM 21515 H1 TIP3 7356 26.321 42.629 64.008 1.00 0.00 WT1 H ATOM 21516 H2 TIP3 7356 25.158 41.767 64.450 1.00 0.00 WT1 H ATOM 21517 OH2 TIP3 7357 23.559 85.483 10.274 1.00 0.00 WT1 O ATOM 21518 H1 TIP3 7357 22.886 84.931 9.875 1.00 0.00 WT1 H ATOM 21519 H2 TIP3 7357 23.882 84.970 11.015 1.00 0.00 WT1 H ATOM 21520 OH2 TIP3 7358 82.624 62.806 0.589 1.00 0.00 WT1 O ATOM 21521 H1 TIP3 7358 83.316 62.314 1.030 1.00 0.00 WT1 H ATOM 21522 H2 TIP3 7358 83.083 63.510 0.132 1.00 0.00 WT1 H ATOM 21523 OH2 TIP3 7359 88.698 35.998 16.821 1.00 0.00 WT1 O ATOM 21524 H1 TIP3 7359 88.967 35.899 15.907 1.00 0.00 WT1 H ATOM 21525 H2 TIP3 7359 89.159 35.298 17.283 1.00 0.00 WT1 H ATOM 21526 OH2 TIP3 7360 58.934 20.188 39.660 1.00 0.00 WT1 O ATOM 21527 H1 TIP3 7360 59.133 19.722 38.847 1.00 0.00 WT1 H ATOM 21528 H2 TIP3 7360 57.979 20.259 39.668 1.00 0.00 WT1 H ATOM 21529 OH2 TIP3 7362 35.853 15.101 2.714 1.00 0.00 WT1 O ATOM 21530 H1 TIP3 7362 35.835 16.057 2.668 1.00 0.00 WT1 H ATOM 21531 H2 TIP3 7362 34.931 14.844 2.731 1.00 0.00 WT1 H ATOM 21532 OH2 TIP3 7363 46.327 24.051 -14.600 1.00 0.00 WT1 O ATOM 21533 H1 TIP3 7363 45.867 23.479 -13.987 1.00 0.00 WT1 H ATOM 21534 H2 TIP3 7363 47.254 23.920 -14.402 1.00 0.00 WT1 H ATOM 21535 OH2 TIP3 7364 62.463 45.206 -12.520 1.00 0.00 WT1 O ATOM 21536 H1 TIP3 7364 61.727 44.790 -12.072 1.00 0.00 WT1 H ATOM 21537 H2 TIP3 7364 62.838 44.511 -13.061 1.00 0.00 WT1 H ATOM 21538 OH2 TIP3 7365 57.377 66.315 -9.217 1.00 0.00 WT1 O ATOM 21539 H1 TIP3 7365 57.629 67.236 -9.287 1.00 0.00 WT1 H ATOM 21540 H2 TIP3 7365 57.102 66.210 -8.307 1.00 0.00 WT1 H ATOM 21541 OH2 TIP3 7366 83.346 0.647 2.830 1.00 0.00 WT1 O ATOM 21542 H1 TIP3 7366 83.309 1.602 2.774 1.00 0.00 WT1 H ATOM 21543 H2 TIP3 7366 83.771 0.375 2.016 1.00 0.00 WT1 H ATOM 21544 OH2 TIP3 7367 73.023 84.234 -4.881 1.00 0.00 WT1 O ATOM 21545 H1 TIP3 7367 72.146 83.855 -4.935 1.00 0.00 WT1 H ATOM 21546 H2 TIP3 7367 73.055 84.868 -5.597 1.00 0.00 WT1 H ATOM 21547 OH2 TIP3 7369 49.206 38.742 9.676 1.00 0.00 WT1 O ATOM 21548 H1 TIP3 7369 48.730 38.173 10.282 1.00 0.00 WT1 H ATOM 21549 H2 TIP3 7369 49.901 39.130 10.207 1.00 0.00 WT1 H ATOM 21550 OH2 TIP3 7370 37.823 63.024 -15.211 1.00 0.00 WT1 O ATOM 21551 H1 TIP3 7370 37.770 63.728 -14.565 1.00 0.00 WT1 H ATOM 21552 H2 TIP3 7370 37.846 62.221 -14.690 1.00 0.00 WT1 H ATOM 21553 OH2 TIP3 7371 26.095 94.366 17.764 1.00 0.00 WT1 O ATOM 21554 H1 TIP3 7371 26.727 94.411 18.482 1.00 0.00 WT1 H ATOM 21555 H2 TIP3 7371 25.276 94.683 18.145 1.00 0.00 WT1 H ATOM 21556 OH2 TIP3 7372 42.882 18.023 45.563 1.00 0.00 WT1 O ATOM 21557 H1 TIP3 7372 43.260 17.966 46.441 1.00 0.00 WT1 H ATOM 21558 H2 TIP3 7372 43.454 18.632 45.095 1.00 0.00 WT1 H ATOM 21559 OH2 TIP3 7373 54.227 24.257 11.736 1.00 0.00 WT1 O ATOM 21560 H1 TIP3 7373 53.553 24.041 12.380 1.00 0.00 WT1 H ATOM 21561 H2 TIP3 7373 53.815 24.904 11.164 1.00 0.00 WT1 H ATOM 21562 OH2 TIP3 7374 56.283 79.840 36.785 1.00 0.00 WT1 O ATOM 21563 H1 TIP3 7374 56.119 79.066 36.247 1.00 0.00 WT1 H ATOM 21564 H2 TIP3 7374 57.232 79.848 36.912 1.00 0.00 WT1 H ATOM 21565 OH2 TIP3 7376 80.272 21.252 -18.138 1.00 0.00 WT1 O ATOM 21566 H1 TIP3 7376 80.443 22.187 -18.026 1.00 0.00 WT1 H ATOM 21567 H2 TIP3 7376 80.603 20.849 -17.336 1.00 0.00 WT1 H ATOM 21568 OH2 TIP3 7378 69.306 93.123 -0.240 1.00 0.00 WT1 O ATOM 21569 H1 TIP3 7378 69.053 92.347 -0.740 1.00 0.00 WT1 H ATOM 21570 H2 TIP3 7378 68.486 93.443 0.136 1.00 0.00 WT1 H ATOM 21571 OH2 TIP3 7379 58.910 27.024 4.849 1.00 0.00 WT1 O ATOM 21572 H1 TIP3 7379 58.592 27.727 5.416 1.00 0.00 WT1 H ATOM 21573 H2 TIP3 7379 59.291 27.477 4.096 1.00 0.00 WT1 H ATOM 21574 OH2 TIP3 7380 22.397 64.294 57.196 1.00 0.00 WT1 O ATOM 21575 H1 TIP3 7380 23.200 64.492 56.715 1.00 0.00 WT1 H ATOM 21576 H2 TIP3 7380 22.630 64.419 58.115 1.00 0.00 WT1 H ATOM 21577 OH2 TIP3 7381 83.340 41.833 -5.968 1.00 0.00 WT1 O ATOM 21578 H1 TIP3 7381 82.522 41.337 -5.935 1.00 0.00 WT1 H ATOM 21579 H2 TIP3 7381 84.018 41.193 -5.753 1.00 0.00 WT1 H ATOM 21580 OH2 TIP3 7382 55.594 70.219 0.511 1.00 0.00 WT1 O ATOM 21581 H1 TIP3 7382 54.862 69.653 0.757 1.00 0.00 WT1 H ATOM 21582 H2 TIP3 7382 56.371 69.756 0.825 1.00 0.00 WT1 H ATOM 21583 OH2 TIP3 7383 77.222 31.188 41.696 1.00 0.00 WT1 O ATOM 21584 H1 TIP3 7383 78.104 31.483 41.923 1.00 0.00 WT1 H ATOM 21585 H2 TIP3 7383 77.183 30.285 42.011 1.00 0.00 WT1 H ATOM 21586 OH2 TIP3 7384 58.641 55.183 19.989 1.00 0.00 WT1 O ATOM 21587 H1 TIP3 7384 57.794 55.036 19.568 1.00 0.00 WT1 H ATOM 21588 H2 TIP3 7384 58.773 56.130 19.938 1.00 0.00 WT1 H ATOM 21589 OH2 TIP3 7385 27.130 54.936 40.260 1.00 0.00 WT1 O ATOM 21590 H1 TIP3 7385 27.647 54.689 41.027 1.00 0.00 WT1 H ATOM 21591 H2 TIP3 7385 27.508 55.768 39.975 1.00 0.00 WT1 H ATOM 21592 OH2 TIP3 7387 38.325 51.183 48.394 1.00 0.00 WT1 O ATOM 21593 H1 TIP3 7387 39.184 50.778 48.271 1.00 0.00 WT1 H ATOM 21594 H2 TIP3 7387 38.489 52.123 48.315 1.00 0.00 WT1 H ATOM 21595 OH2 TIP3 7388 40.275 21.966 -5.259 1.00 0.00 WT1 O ATOM 21596 H1 TIP3 7388 40.786 22.689 -5.622 1.00 0.00 WT1 H ATOM 21597 H2 TIP3 7388 39.620 22.390 -4.704 1.00 0.00 WT1 H ATOM 21598 OH2 TIP3 7389 22.887 28.756 -13.985 1.00 0.00 WT1 O ATOM 21599 H1 TIP3 7389 22.975 29.651 -14.313 1.00 0.00 WT1 H ATOM 21600 H2 TIP3 7389 23.677 28.613 -13.463 1.00 0.00 WT1 H ATOM 21601 OH2 TIP3 7390 75.864 37.368 34.618 1.00 0.00 WT1 O ATOM 21602 H1 TIP3 7390 75.840 38.257 34.974 1.00 0.00 WT1 H ATOM 21603 H2 TIP3 7390 74.988 37.230 34.259 1.00 0.00 WT1 H ATOM 21604 OH2 TIP3 7391 80.811 48.592 23.470 1.00 0.00 WT1 O ATOM 21605 H1 TIP3 7391 80.349 48.735 24.296 1.00 0.00 WT1 H ATOM 21606 H2 TIP3 7391 80.144 48.244 22.878 1.00 0.00 WT1 H ATOM 21607 OH2 TIP3 7392 22.170 78.720 2.765 1.00 0.00 WT1 O ATOM 21608 H1 TIP3 7392 22.133 79.451 3.383 1.00 0.00 WT1 H ATOM 21609 H2 TIP3 7392 22.007 79.120 1.911 1.00 0.00 WT1 H ATOM 21610 OH2 TIP3 7393 82.707 32.800 2.766 1.00 0.00 WT1 O ATOM 21611 H1 TIP3 7393 83.524 32.930 3.247 1.00 0.00 WT1 H ATOM 21612 H2 TIP3 7393 82.025 32.840 3.437 1.00 0.00 WT1 H ATOM 21613 OH2 TIP3 7394 38.326 30.197 50.181 1.00 0.00 WT1 O ATOM 21614 H1 TIP3 7394 38.449 29.727 51.006 1.00 0.00 WT1 H ATOM 21615 H2 TIP3 7394 37.799 29.605 49.645 1.00 0.00 WT1 H ATOM 21616 OH2 TIP3 7395 27.250 25.415 24.150 1.00 0.00 WT1 O ATOM 21617 H1 TIP3 7395 27.565 24.557 24.436 1.00 0.00 WT1 H ATOM 21618 H2 TIP3 7395 26.301 25.313 24.086 1.00 0.00 WT1 H ATOM 21619 OH2 TIP3 7396 28.227 77.875 12.589 1.00 0.00 WT1 O ATOM 21620 H1 TIP3 7396 28.232 78.437 13.363 1.00 0.00 WT1 H ATOM 21621 H2 TIP3 7396 28.215 76.984 12.939 1.00 0.00 WT1 H ATOM 21622 OH2 TIP3 7397 61.244 7.427 13.509 1.00 0.00 WT1 O ATOM 21623 H1 TIP3 7397 60.754 6.615 13.379 1.00 0.00 WT1 H ATOM 21624 H2 TIP3 7397 60.761 8.082 13.005 1.00 0.00 WT1 H ATOM 21625 OH2 TIP3 7398 76.085 18.240 -15.552 1.00 0.00 WT1 O ATOM 21626 H1 TIP3 7398 75.766 17.635 -16.222 1.00 0.00 WT1 H ATOM 21627 H2 TIP3 7398 76.704 18.805 -16.015 1.00 0.00 WT1 H ATOM 21628 OH2 TIP3 7399 74.538 35.591 -5.650 1.00 0.00 WT1 O ATOM 21629 H1 TIP3 7399 73.694 35.486 -6.089 1.00 0.00 WT1 H ATOM 21630 H2 TIP3 7399 74.408 35.200 -4.786 1.00 0.00 WT1 H ATOM 21631 OH2 TIP3 7400 62.427 62.202 28.247 1.00 0.00 WT1 O ATOM 21632 H1 TIP3 7400 61.892 62.455 29.000 1.00 0.00 WT1 H ATOM 21633 H2 TIP3 7400 61.837 62.280 27.497 1.00 0.00 WT1 H ATOM 21634 OH2 TIP3 7401 60.132 35.947 -9.141 1.00 0.00 WT1 O ATOM 21635 H1 TIP3 7401 60.445 36.595 -9.772 1.00 0.00 WT1 H ATOM 21636 H2 TIP3 7401 60.443 36.268 -8.294 1.00 0.00 WT1 H ATOM 21637 OH2 TIP3 7403 63.443 33.534 -17.102 1.00 0.00 WT1 O ATOM 21638 H1 TIP3 7403 63.357 34.365 -17.569 1.00 0.00 WT1 H ATOM 21639 H2 TIP3 7403 63.026 33.690 -16.255 1.00 0.00 WT1 H ATOM 21640 OH2 TIP3 7408 76.863 52.821 7.787 1.00 0.00 WT1 O ATOM 21641 H1 TIP3 7408 76.534 53.665 7.477 1.00 0.00 WT1 H ATOM 21642 H2 TIP3 7408 76.995 52.946 8.727 1.00 0.00 WT1 H ATOM 21643 OH2 TIP3 7409 64.049 37.985 -9.464 1.00 0.00 WT1 O ATOM 21644 H1 TIP3 7409 63.717 38.505 -8.732 1.00 0.00 WT1 H ATOM 21645 H2 TIP3 7409 63.887 37.077 -9.205 1.00 0.00 WT1 H ATOM 21646 OH2 TIP3 7410 38.031 74.420 -4.312 1.00 0.00 WT1 O ATOM 21647 H1 TIP3 7410 37.802 74.213 -3.406 1.00 0.00 WT1 H ATOM 21648 H2 TIP3 7410 38.660 73.743 -4.561 1.00 0.00 WT1 H ATOM 21649 OH2 TIP3 7411 28.324 62.738 10.569 1.00 0.00 WT1 O ATOM 21650 H1 TIP3 7411 27.795 62.205 11.162 1.00 0.00 WT1 H ATOM 21651 H2 TIP3 7411 27.797 63.521 10.414 1.00 0.00 WT1 H ATOM 21652 OH2 TIP3 7412 82.907 71.147 -15.833 1.00 0.00 WT1 O ATOM 21653 H1 TIP3 7412 82.853 71.044 -14.882 1.00 0.00 WT1 H ATOM 21654 H2 TIP3 7412 82.970 72.092 -15.969 1.00 0.00 WT1 H ATOM 21655 OH2 TIP3 7413 83.207 74.607 23.052 1.00 0.00 WT1 O ATOM 21656 H1 TIP3 7413 82.326 74.513 23.414 1.00 0.00 WT1 H ATOM 21657 H2 TIP3 7413 83.280 73.901 22.409 1.00 0.00 WT1 H ATOM 21658 OH2 TIP3 7414 80.509 53.083 60.259 1.00 0.00 WT1 O ATOM 21659 H1 TIP3 7414 81.266 53.551 60.612 1.00 0.00 WT1 H ATOM 21660 H2 TIP3 7414 80.313 53.530 59.435 1.00 0.00 WT1 H ATOM 21661 OH2 TIP3 7415 74.889 56.802 27.835 1.00 0.00 WT1 O ATOM 21662 H1 TIP3 7415 74.560 56.323 27.074 1.00 0.00 WT1 H ATOM 21663 H2 TIP3 7415 74.116 57.234 28.200 1.00 0.00 WT1 H ATOM 21664 OH2 TIP3 7416 42.628 39.507 51.585 1.00 0.00 WT1 O ATOM 21665 H1 TIP3 7416 42.238 40.343 51.325 1.00 0.00 WT1 H ATOM 21666 H2 TIP3 7416 42.372 38.898 50.892 1.00 0.00 WT1 H ATOM 21667 OH2 TIP3 7417 49.673 0.710 46.144 1.00 0.00 WT1 O ATOM 21668 H1 TIP3 7417 49.409 -0.198 46.000 1.00 0.00 WT1 H ATOM 21669 H2 TIP3 7417 48.912 1.226 45.878 1.00 0.00 WT1 H ATOM 21670 OH2 TIP3 7418 35.327 26.999 -12.698 1.00 0.00 WT1 O ATOM 21671 H1 TIP3 7418 34.942 27.770 -12.281 1.00 0.00 WT1 H ATOM 21672 H2 TIP3 7418 35.386 27.232 -13.625 1.00 0.00 WT1 H ATOM 21673 OH2 TIP3 7419 48.567 38.731 20.764 1.00 0.00 WT1 O ATOM 21674 H1 TIP3 7419 48.917 38.379 19.945 1.00 0.00 WT1 H ATOM 21675 H2 TIP3 7419 49.202 39.397 21.030 1.00 0.00 WT1 H ATOM 21676 OH2 TIP3 7420 73.657 65.937 -3.071 1.00 0.00 WT1 O ATOM 21677 H1 TIP3 7420 74.086 65.477 -2.350 1.00 0.00 WT1 H ATOM 21678 H2 TIP3 7420 73.298 65.241 -3.620 1.00 0.00 WT1 H ATOM 21679 OH2 TIP3 7421 85.619 53.968 24.975 1.00 0.00 WT1 O ATOM 21680 H1 TIP3 7421 85.110 54.152 25.765 1.00 0.00 WT1 H ATOM 21681 H2 TIP3 7421 85.082 53.347 24.483 1.00 0.00 WT1 H ATOM 21682 OH2 TIP3 7422 34.987 58.735 -12.065 1.00 0.00 WT1 O ATOM 21683 H1 TIP3 7422 35.196 59.407 -11.416 1.00 0.00 WT1 H ATOM 21684 H2 TIP3 7422 35.611 58.887 -12.776 1.00 0.00 WT1 H ATOM 21685 OH2 TIP3 7423 89.006 92.074 5.895 1.00 0.00 WT1 O ATOM 21686 H1 TIP3 7423 89.007 91.366 6.539 1.00 0.00 WT1 H ATOM 21687 H2 TIP3 7423 89.732 92.639 6.158 1.00 0.00 WT1 H ATOM 21688 OH2 TIP3 7424 70.198 10.285 5.858 1.00 0.00 WT1 O ATOM 21689 H1 TIP3 7424 69.850 10.636 6.678 1.00 0.00 WT1 H ATOM 21690 H2 TIP3 7424 70.054 9.341 5.920 1.00 0.00 WT1 H ATOM 21691 OH2 TIP3 7426 24.687 28.605 24.234 1.00 0.00 WT1 O ATOM 21692 H1 TIP3 7426 23.731 28.598 24.275 1.00 0.00 WT1 H ATOM 21693 H2 TIP3 7426 24.900 28.032 23.498 1.00 0.00 WT1 H ATOM 21694 OH2 TIP3 7427 74.637 50.003 10.614 1.00 0.00 WT1 O ATOM 21695 H1 TIP3 7427 75.166 49.205 10.606 1.00 0.00 WT1 H ATOM 21696 H2 TIP3 7427 73.875 49.791 10.074 1.00 0.00 WT1 H ATOM 21697 OH2 TIP3 7428 21.209 35.075 60.883 1.00 0.00 WT1 O ATOM 21698 H1 TIP3 7428 21.471 35.901 61.290 1.00 0.00 WT1 H ATOM 21699 H2 TIP3 7428 21.962 34.820 60.351 1.00 0.00 WT1 H ATOM 21700 OH2 TIP3 7429 33.677 42.295 36.862 1.00 0.00 WT1 O ATOM 21701 H1 TIP3 7429 33.991 43.171 36.639 1.00 0.00 WT1 H ATOM 21702 H2 TIP3 7429 33.388 42.369 37.772 1.00 0.00 WT1 H ATOM 21703 OH2 TIP3 7430 78.949 69.969 7.369 1.00 0.00 WT1 O ATOM 21704 H1 TIP3 7430 78.692 69.228 6.820 1.00 0.00 WT1 H ATOM 21705 H2 TIP3 7430 78.281 70.634 7.205 1.00 0.00 WT1 H ATOM 21706 OH2 TIP3 7431 44.646 85.387 20.642 1.00 0.00 WT1 O ATOM 21707 H1 TIP3 7431 44.834 85.112 19.745 1.00 0.00 WT1 H ATOM 21708 H2 TIP3 7431 45.205 84.832 21.185 1.00 0.00 WT1 H ATOM 21709 OH2 TIP3 7432 24.523 12.285 4.395 1.00 0.00 WT1 O ATOM 21710 H1 TIP3 7432 24.903 12.314 3.516 1.00 0.00 WT1 H ATOM 21711 H2 TIP3 7432 25.256 12.478 4.979 1.00 0.00 WT1 H ATOM 21712 OH2 TIP3 7433 29.241 67.988 6.175 1.00 0.00 WT1 O ATOM 21713 H1 TIP3 7433 28.686 67.276 6.493 1.00 0.00 WT1 H ATOM 21714 H2 TIP3 7433 29.687 67.621 5.412 1.00 0.00 WT1 H ATOM 21715 OH2 TIP3 7434 51.507 44.990 -10.341 1.00 0.00 WT1 O ATOM 21716 H1 TIP3 7434 51.789 45.732 -10.875 1.00 0.00 WT1 H ATOM 21717 H2 TIP3 7434 52.209 44.346 -10.433 1.00 0.00 WT1 H ATOM 21718 OH2 TIP3 7435 48.130 92.720 4.045 1.00 0.00 WT1 O ATOM 21719 H1 TIP3 7435 48.186 93.658 3.863 1.00 0.00 WT1 H ATOM 21720 H2 TIP3 7435 48.946 92.515 4.502 1.00 0.00 WT1 H ATOM 21721 OH2 TIP3 7436 51.226 8.641 41.042 1.00 0.00 WT1 O ATOM 21722 H1 TIP3 7436 50.603 7.947 40.830 1.00 0.00 WT1 H ATOM 21723 H2 TIP3 7436 50.959 9.379 40.494 1.00 0.00 WT1 H ATOM 21724 OH2 TIP3 7437 35.334 9.799 -0.725 1.00 0.00 WT1 O ATOM 21725 H1 TIP3 7437 35.888 9.058 -0.972 1.00 0.00 WT1 H ATOM 21726 H2 TIP3 7437 34.671 9.842 -1.415 1.00 0.00 WT1 H ATOM 21727 OH2 TIP3 7439 28.574 22.293 -7.413 1.00 0.00 WT1 O ATOM 21728 H1 TIP3 7439 27.686 22.441 -7.739 1.00 0.00 WT1 H ATOM 21729 H2 TIP3 7439 29.139 22.736 -8.047 1.00 0.00 WT1 H ATOM 21730 OH2 TIP3 7440 66.299 66.244 -13.729 1.00 0.00 WT1 O ATOM 21731 H1 TIP3 7440 65.421 66.160 -13.357 1.00 0.00 WT1 H ATOM 21732 H2 TIP3 7440 66.181 66.801 -14.498 1.00 0.00 WT1 H ATOM 21733 OH2 TIP3 7441 82.524 37.257 11.716 1.00 0.00 WT1 O ATOM 21734 H1 TIP3 7441 81.999 37.757 12.342 1.00 0.00 WT1 H ATOM 21735 H2 TIP3 7441 82.876 36.528 12.227 1.00 0.00 WT1 H ATOM 21736 OH2 TIP3 7442 52.824 80.578 13.070 1.00 0.00 WT1 O ATOM 21737 H1 TIP3 7442 51.978 80.497 12.630 1.00 0.00 WT1 H ATOM 21738 H2 TIP3 7442 53.397 79.969 12.604 1.00 0.00 WT1 H ATOM 21739 OH2 TIP3 7443 50.698 25.784 -14.141 1.00 0.00 WT1 O ATOM 21740 H1 TIP3 7443 50.891 26.300 -14.923 1.00 0.00 WT1 H ATOM 21741 H2 TIP3 7443 51.076 26.289 -13.421 1.00 0.00 WT1 H ATOM 21742 OH2 TIP3 7445 69.403 51.902 2.064 1.00 0.00 WT1 O ATOM 21743 H1 TIP3 7445 69.615 52.738 2.479 1.00 0.00 WT1 H ATOM 21744 H2 TIP3 7445 68.595 52.073 1.580 1.00 0.00 WT1 H ATOM 21745 OH2 TIP3 7447 39.714 3.306 -15.244 1.00 0.00 WT1 O ATOM 21746 H1 TIP3 7447 38.912 3.682 -15.605 1.00 0.00 WT1 H ATOM 21747 H2 TIP3 7447 39.772 3.667 -14.359 1.00 0.00 WT1 H ATOM 21748 OH2 TIP3 7448 73.028 66.425 30.373 1.00 0.00 WT1 O ATOM 21749 H1 TIP3 7448 72.626 65.905 31.068 1.00 0.00 WT1 H ATOM 21750 H2 TIP3 7448 72.310 66.952 30.021 1.00 0.00 WT1 H ATOM 21751 OH2 TIP3 7450 45.065 80.308 34.242 1.00 0.00 WT1 O ATOM 21752 H1 TIP3 7450 45.519 79.781 33.584 1.00 0.00 WT1 H ATOM 21753 H2 TIP3 7450 44.162 79.992 34.220 1.00 0.00 WT1 H ATOM 21754 OH2 TIP3 7451 21.743 14.511 34.819 1.00 0.00 WT1 O ATOM 21755 H1 TIP3 7451 21.550 15.385 35.158 1.00 0.00 WT1 H ATOM 21756 H2 TIP3 7451 20.897 14.175 34.524 1.00 0.00 WT1 H ATOM 21757 OH2 TIP3 7452 63.339 74.326 38.459 1.00 0.00 WT1 O ATOM 21758 H1 TIP3 7452 62.420 74.365 38.723 1.00 0.00 WT1 H ATOM 21759 H2 TIP3 7452 63.495 73.401 38.271 1.00 0.00 WT1 H ATOM 21760 OH2 TIP3 7454 70.661 55.723 48.284 1.00 0.00 WT1 O ATOM 21761 H1 TIP3 7454 70.211 55.020 48.754 1.00 0.00 WT1 H ATOM 21762 H2 TIP3 7454 70.209 55.776 47.442 1.00 0.00 WT1 H ATOM 21763 OH2 TIP3 7455 35.835 76.205 -19.568 1.00 0.00 WT1 O ATOM 21764 H1 TIP3 7455 35.946 75.296 -19.290 1.00 0.00 WT1 H ATOM 21765 H2 TIP3 7455 35.257 76.155 -20.329 1.00 0.00 WT1 H ATOM 21766 OH2 TIP3 7456 50.997 93.524 9.418 1.00 0.00 WT1 O ATOM 21767 H1 TIP3 7456 50.168 93.107 9.184 1.00 0.00 WT1 H ATOM 21768 H2 TIP3 7456 50.765 94.157 10.097 1.00 0.00 WT1 H ATOM 21769 OH2 TIP3 7457 64.753 80.913 59.826 1.00 0.00 WT1 O ATOM 21770 H1 TIP3 7457 65.475 81.428 59.466 1.00 0.00 WT1 H ATOM 21771 H2 TIP3 7457 64.121 81.565 60.128 1.00 0.00 WT1 H ATOM 21772 OH2 TIP3 7458 85.880 71.491 49.659 1.00 0.00 WT1 O ATOM 21773 H1 TIP3 7458 86.068 71.225 50.559 1.00 0.00 WT1 H ATOM 21774 H2 TIP3 7458 85.619 70.682 49.219 1.00 0.00 WT1 H ATOM 21775 OH2 TIP3 7459 88.445 76.742 51.728 1.00 0.00 WT1 O ATOM 21776 H1 TIP3 7459 88.174 77.445 52.319 1.00 0.00 WT1 H ATOM 21777 H2 TIP3 7459 89.262 76.414 52.104 1.00 0.00 WT1 H ATOM 21778 OH2 TIP3 7461 61.190 40.603 51.599 1.00 0.00 WT1 O ATOM 21779 H1 TIP3 7461 61.249 39.648 51.571 1.00 0.00 WT1 H ATOM 21780 H2 TIP3 7461 61.029 40.860 50.691 1.00 0.00 WT1 H ATOM 21781 OH2 TIP3 7462 24.078 45.241 30.040 1.00 0.00 WT1 O ATOM 21782 H1 TIP3 7462 24.068 44.759 29.213 1.00 0.00 WT1 H ATOM 21783 H2 TIP3 7462 23.211 45.644 30.094 1.00 0.00 WT1 H ATOM 21784 OH2 TIP3 7463 24.632 29.043 37.142 1.00 0.00 WT1 O ATOM 21785 H1 TIP3 7463 23.873 29.385 37.614 1.00 0.00 WT1 H ATOM 21786 H2 TIP3 7463 24.294 28.817 36.275 1.00 0.00 WT1 H ATOM 21787 OH2 TIP3 7464 42.551 44.908 -14.864 1.00 0.00 WT1 O ATOM 21788 H1 TIP3 7464 43.285 44.893 -14.249 1.00 0.00 WT1 H ATOM 21789 H2 TIP3 7464 42.668 45.719 -15.359 1.00 0.00 WT1 H ATOM 21790 OH2 TIP3 7465 45.245 73.070 53.921 1.00 0.00 WT1 O ATOM 21791 H1 TIP3 7465 45.109 73.942 53.550 1.00 0.00 WT1 H ATOM 21792 H2 TIP3 7465 44.371 72.787 54.192 1.00 0.00 WT1 H ATOM 21793 OH2 TIP3 7466 62.090 65.668 26.829 1.00 0.00 WT1 O ATOM 21794 H1 TIP3 7466 61.488 64.937 26.971 1.00 0.00 WT1 H ATOM 21795 H2 TIP3 7466 61.547 66.354 26.440 1.00 0.00 WT1 H ATOM 21796 OH2 TIP3 7467 47.420 43.870 58.238 1.00 0.00 WT1 O ATOM 21797 H1 TIP3 7467 48.108 44.318 58.730 1.00 0.00 WT1 H ATOM 21798 H2 TIP3 7467 46.701 44.500 58.202 1.00 0.00 WT1 H ATOM 21799 OH2 TIP3 7468 23.011 42.168 46.573 1.00 0.00 WT1 O ATOM 21800 H1 TIP3 7468 23.541 42.123 45.777 1.00 0.00 WT1 H ATOM 21801 H2 TIP3 7468 23.649 42.231 47.284 1.00 0.00 WT1 H ATOM 21802 OH2 TIP3 7469 80.483 67.764 54.043 1.00 0.00 WT1 O ATOM 21803 H1 TIP3 7469 80.547 67.239 53.246 1.00 0.00 WT1 H ATOM 21804 H2 TIP3 7469 80.575 68.668 53.744 1.00 0.00 WT1 H ATOM 21805 OH2 TIP3 7470 82.705 67.469 -14.090 1.00 0.00 WT1 O ATOM 21806 H1 TIP3 7470 82.252 66.730 -13.685 1.00 0.00 WT1 H ATOM 21807 H2 TIP3 7470 82.354 68.240 -13.644 1.00 0.00 WT1 H ATOM 21808 OH2 TIP3 7471 37.059 48.788 8.529 1.00 0.00 WT1 O ATOM 21809 H1 TIP3 7471 36.343 48.420 8.010 1.00 0.00 WT1 H ATOM 21810 H2 TIP3 7471 36.835 48.570 9.434 1.00 0.00 WT1 H ATOM 21811 OH2 TIP3 7472 25.176 29.564 31.908 1.00 0.00 WT1 O ATOM 21812 H1 TIP3 7472 25.014 29.111 31.080 1.00 0.00 WT1 H ATOM 21813 H2 TIP3 7472 25.894 29.077 32.311 1.00 0.00 WT1 H ATOM 21814 OH2 TIP3 7473 68.215 25.080 26.535 1.00 0.00 WT1 O ATOM 21815 H1 TIP3 7473 68.951 25.199 25.934 1.00 0.00 WT1 H ATOM 21816 H2 TIP3 7473 67.438 25.170 25.982 1.00 0.00 WT1 H ATOM 21817 OH2 TIP3 7474 67.364 17.743 54.436 1.00 0.00 WT1 O ATOM 21818 H1 TIP3 7474 66.961 17.606 53.578 1.00 0.00 WT1 H ATOM 21819 H2 TIP3 7474 68.293 17.559 54.296 1.00 0.00 WT1 H ATOM 21820 OH2 TIP3 7475 88.054 44.311 5.983 1.00 0.00 WT1 O ATOM 21821 H1 TIP3 7475 88.479 43.729 5.354 1.00 0.00 WT1 H ATOM 21822 H2 TIP3 7475 87.657 43.722 6.625 1.00 0.00 WT1 H ATOM 21823 OH2 TIP3 7476 66.140 72.234 44.482 1.00 0.00 WT1 O ATOM 21824 H1 TIP3 7476 65.813 72.116 45.373 1.00 0.00 WT1 H ATOM 21825 H2 TIP3 7476 66.068 73.175 44.322 1.00 0.00 WT1 H ATOM 21826 OH2 TIP3 7477 65.840 21.815 -6.289 1.00 0.00 WT1 O ATOM 21827 H1 TIP3 7477 66.657 21.925 -6.775 1.00 0.00 WT1 H ATOM 21828 H2 TIP3 7477 66.056 21.191 -5.595 1.00 0.00 WT1 H ATOM 21829 OH2 TIP3 7478 84.752 66.639 11.276 1.00 0.00 WT1 O ATOM 21830 H1 TIP3 7478 83.979 66.806 11.816 1.00 0.00 WT1 H ATOM 21831 H2 TIP3 7478 84.400 66.441 10.408 1.00 0.00 WT1 H ATOM 21832 OH2 TIP3 7479 43.185 86.001 44.230 1.00 0.00 WT1 O ATOM 21833 H1 TIP3 7479 42.841 85.768 45.093 1.00 0.00 WT1 H ATOM 21834 H2 TIP3 7479 43.937 85.421 44.107 1.00 0.00 WT1 H ATOM 21835 OH2 TIP3 7480 31.467 67.918 -13.788 1.00 0.00 WT1 O ATOM 21836 H1 TIP3 7480 31.521 67.066 -14.220 1.00 0.00 WT1 H ATOM 21837 H2 TIP3 7480 32.345 68.288 -13.875 1.00 0.00 WT1 H ATOM 21838 OH2 TIP3 7481 51.882 0.546 50.737 1.00 0.00 WT1 O ATOM 21839 H1 TIP3 7481 52.070 -0.331 51.073 1.00 0.00 WT1 H ATOM 21840 H2 TIP3 7481 52.120 1.134 51.454 1.00 0.00 WT1 H ATOM 21841 OH2 TIP3 7483 76.569 16.548 8.792 1.00 0.00 WT1 O ATOM 21842 H1 TIP3 7483 76.714 16.818 9.698 1.00 0.00 WT1 H ATOM 21843 H2 TIP3 7483 76.375 15.612 8.848 1.00 0.00 WT1 H ATOM 21844 OH2 TIP3 7485 53.557 10.426 9.782 1.00 0.00 WT1 O ATOM 21845 H1 TIP3 7485 52.731 9.988 9.985 1.00 0.00 WT1 H ATOM 21846 H2 TIP3 7485 53.338 11.357 9.766 1.00 0.00 WT1 H ATOM 21847 OH2 TIP3 7486 23.657 88.692 23.027 1.00 0.00 WT1 O ATOM 21848 H1 TIP3 7486 24.553 88.399 22.859 1.00 0.00 WT1 H ATOM 21849 H2 TIP3 7486 23.168 88.423 22.249 1.00 0.00 WT1 H ATOM 21850 OH2 TIP3 7487 61.882 79.402 2.576 1.00 0.00 WT1 O ATOM 21851 H1 TIP3 7487 62.656 78.849 2.677 1.00 0.00 WT1 H ATOM 21852 H2 TIP3 7487 61.151 78.785 2.531 1.00 0.00 WT1 H ATOM 21853 OH2 TIP3 7489 26.759 82.502 8.578 1.00 0.00 WT1 O ATOM 21854 H1 TIP3 7489 26.205 81.740 8.406 1.00 0.00 WT1 H ATOM 21855 H2 TIP3 7489 26.834 82.533 9.531 1.00 0.00 WT1 H ATOM 21856 OH2 TIP3 7490 31.831 84.160 60.938 1.00 0.00 WT1 O ATOM 21857 H1 TIP3 7490 31.805 83.300 61.356 1.00 0.00 WT1 H ATOM 21858 H2 TIP3 7490 31.542 83.999 60.040 1.00 0.00 WT1 H ATOM 21859 OH2 TIP3 7491 72.668 74.641 -10.706 1.00 0.00 WT1 O ATOM 21860 H1 TIP3 7491 71.804 74.978 -10.941 1.00 0.00 WT1 H ATOM 21861 H2 TIP3 7491 72.509 74.085 -9.943 1.00 0.00 WT1 H ATOM 21862 OH2 TIP3 7492 80.819 52.813 12.788 1.00 0.00 WT1 O ATOM 21863 H1 TIP3 7492 81.765 52.943 12.723 1.00 0.00 WT1 H ATOM 21864 H2 TIP3 7492 80.697 52.337 13.609 1.00 0.00 WT1 H ATOM 21865 OH2 TIP3 7493 89.062 86.462 32.544 1.00 0.00 WT1 O ATOM 21866 H1 TIP3 7493 88.283 86.092 32.130 1.00 0.00 WT1 H ATOM 21867 H2 TIP3 7493 89.530 86.897 31.832 1.00 0.00 WT1 H ATOM 21868 OH2 TIP3 7494 76.836 17.178 60.461 1.00 0.00 WT1 O ATOM 21869 H1 TIP3 7494 77.110 17.962 60.938 1.00 0.00 WT1 H ATOM 21870 H2 TIP3 7494 77.654 16.785 60.157 1.00 0.00 WT1 H ATOM 21871 OH2 TIP3 7495 63.724 4.532 -11.736 1.00 0.00 WT1 O ATOM 21872 H1 TIP3 7495 64.453 4.072 -11.319 1.00 0.00 WT1 H ATOM 21873 H2 TIP3 7495 64.001 5.448 -11.759 1.00 0.00 WT1 H ATOM 21874 OH2 TIP3 7496 51.926 12.608 61.959 1.00 0.00 WT1 O ATOM 21875 H1 TIP3 7496 52.622 13.222 61.727 1.00 0.00 WT1 H ATOM 21876 H2 TIP3 7496 51.649 12.877 62.835 1.00 0.00 WT1 H ATOM 21877 OH2 TIP3 7497 68.195 81.229 31.126 1.00 0.00 WT1 O ATOM 21878 H1 TIP3 7497 68.603 82.008 30.747 1.00 0.00 WT1 H ATOM 21879 H2 TIP3 7497 67.432 81.564 31.597 1.00 0.00 WT1 H ATOM 21880 OH2 TIP3 7498 23.257 88.005 9.334 1.00 0.00 WT1 O ATOM 21881 H1 TIP3 7498 23.215 87.104 9.653 1.00 0.00 WT1 H ATOM 21882 H2 TIP3 7498 24.130 88.308 9.584 1.00 0.00 WT1 H ATOM 21883 OH2 TIP3 7499 70.992 67.679 10.326 1.00 0.00 WT1 O ATOM 21884 H1 TIP3 7499 70.740 68.312 10.999 1.00 0.00 WT1 H ATOM 21885 H2 TIP3 7499 70.625 66.849 10.627 1.00 0.00 WT1 H ATOM 21886 OH2 TIP3 7500 30.227 92.299 38.638 1.00 0.00 WT1 O ATOM 21887 H1 TIP3 7500 29.334 92.268 38.982 1.00 0.00 WT1 H ATOM 21888 H2 TIP3 7500 30.623 93.058 39.067 1.00 0.00 WT1 H ATOM 21889 OH2 TIP3 7501 79.600 65.598 0.122 1.00 0.00 WT1 O ATOM 21890 H1 TIP3 7501 79.436 65.179 -0.723 1.00 0.00 WT1 H ATOM 21891 H2 TIP3 7501 80.530 65.443 0.290 1.00 0.00 WT1 H ATOM 21892 OH2 TIP3 7502 72.383 74.230 -1.462 1.00 0.00 WT1 O ATOM 21893 H1 TIP3 7502 71.566 74.719 -1.364 1.00 0.00 WT1 H ATOM 21894 H2 TIP3 7502 72.575 74.270 -2.399 1.00 0.00 WT1 H ATOM 21895 OH2 TIP3 7503 45.091 84.712 37.538 1.00 0.00 WT1 O ATOM 21896 H1 TIP3 7503 44.356 84.397 37.012 1.00 0.00 WT1 H ATOM 21897 H2 TIP3 7503 45.689 83.967 37.587 1.00 0.00 WT1 H ATOM 21898 OH2 TIP3 7504 55.433 27.124 22.851 1.00 0.00 WT1 O ATOM 21899 H1 TIP3 7504 56.202 27.302 23.393 1.00 0.00 WT1 H ATOM 21900 H2 TIP3 7504 55.171 27.981 22.516 1.00 0.00 WT1 H ATOM 21901 OH2 TIP3 7505 53.488 46.857 66.718 1.00 0.00 WT1 O ATOM 21902 H1 TIP3 7505 53.428 47.182 67.616 1.00 0.00 WT1 H ATOM 21903 H2 TIP3 7505 52.618 47.011 66.349 1.00 0.00 WT1 H ATOM 21904 OH2 TIP3 7506 56.456 91.684 48.547 1.00 0.00 WT1 O ATOM 21905 H1 TIP3 7506 56.763 91.015 49.159 1.00 0.00 WT1 H ATOM 21906 H2 TIP3 7506 56.310 91.211 47.728 1.00 0.00 WT1 H ATOM 21907 OH2 TIP3 7507 20.667 93.746 14.554 1.00 0.00 WT1 O ATOM 21908 H1 TIP3 7507 21.558 93.409 14.462 1.00 0.00 WT1 H ATOM 21909 H2 TIP3 7507 20.377 93.425 15.408 1.00 0.00 WT1 H ATOM 21910 OH2 TIP3 7508 55.240 6.352 17.637 1.00 0.00 WT1 O ATOM 21911 H1 TIP3 7508 55.880 5.643 17.580 1.00 0.00 WT1 H ATOM 21912 H2 TIP3 7508 54.394 5.923 17.505 1.00 0.00 WT1 H ATOM 21913 OH2 TIP3 7509 66.574 52.866 11.838 1.00 0.00 WT1 O ATOM 21914 H1 TIP3 7509 65.886 52.398 12.311 1.00 0.00 WT1 H ATOM 21915 H2 TIP3 7509 66.353 53.791 11.946 1.00 0.00 WT1 H ATOM 21916 OH2 TIP3 7510 29.177 71.376 -8.678 1.00 0.00 WT1 O ATOM 21917 H1 TIP3 7510 28.655 70.746 -9.174 1.00 0.00 WT1 H ATOM 21918 H2 TIP3 7510 28.531 71.918 -8.225 1.00 0.00 WT1 H ATOM 21919 OH2 TIP3 7511 36.983 78.183 48.197 1.00 0.00 WT1 O ATOM 21920 H1 TIP3 7511 37.665 77.512 48.237 1.00 0.00 WT1 H ATOM 21921 H2 TIP3 7511 37.341 78.854 47.616 1.00 0.00 WT1 H ATOM 21922 OH2 TIP3 7512 64.160 63.393 33.398 1.00 0.00 WT1 O ATOM 21923 H1 TIP3 7512 64.298 62.883 34.197 1.00 0.00 WT1 H ATOM 21924 H2 TIP3 7512 63.320 63.084 33.058 1.00 0.00 WT1 H ATOM 21925 OH2 TIP3 7513 47.238 85.927 56.010 1.00 0.00 WT1 O ATOM 21926 H1 TIP3 7513 47.299 85.169 55.429 1.00 0.00 WT1 H ATOM 21927 H2 TIP3 7513 47.702 85.660 56.803 1.00 0.00 WT1 H ATOM 21928 OH2 TIP3 7514 22.323 47.539 54.782 1.00 0.00 WT1 O ATOM 21929 H1 TIP3 7514 21.591 47.876 55.297 1.00 0.00 WT1 H ATOM 21930 H2 TIP3 7514 21.936 47.304 53.939 1.00 0.00 WT1 H ATOM 21931 OH2 TIP3 7515 21.729 55.252 13.232 1.00 0.00 WT1 O ATOM 21932 H1 TIP3 7515 20.975 55.687 12.833 1.00 0.00 WT1 H ATOM 21933 H2 TIP3 7515 22.485 55.753 12.926 1.00 0.00 WT1 H ATOM 21934 OH2 TIP3 7516 36.922 85.879 -14.832 1.00 0.00 WT1 O ATOM 21935 H1 TIP3 7516 36.896 86.597 -14.199 1.00 0.00 WT1 H ATOM 21936 H2 TIP3 7516 37.791 85.493 -14.720 1.00 0.00 WT1 H ATOM 21937 OH2 TIP3 7517 46.737 34.828 58.193 1.00 0.00 WT1 O ATOM 21938 H1 TIP3 7517 45.821 34.581 58.319 1.00 0.00 WT1 H ATOM 21939 H2 TIP3 7517 46.735 35.785 58.224 1.00 0.00 WT1 H ATOM 21940 OH2 TIP3 7518 68.436 42.973 36.649 1.00 0.00 WT1 O ATOM 21941 H1 TIP3 7518 68.551 42.315 35.963 1.00 0.00 WT1 H ATOM 21942 H2 TIP3 7518 68.415 43.807 36.180 1.00 0.00 WT1 H ATOM 21943 OH2 TIP3 7519 84.236 5.068 -6.203 1.00 0.00 WT1 O ATOM 21944 H1 TIP3 7519 83.688 4.733 -5.493 1.00 0.00 WT1 H ATOM 21945 H2 TIP3 7519 83.706 4.949 -6.991 1.00 0.00 WT1 H ATOM 21946 OH2 TIP3 7520 86.963 91.844 27.309 1.00 0.00 WT1 O ATOM 21947 H1 TIP3 7520 86.362 91.435 27.932 1.00 0.00 WT1 H ATOM 21948 H2 TIP3 7520 86.481 91.852 26.482 1.00 0.00 WT1 H ATOM 21949 OH2 TIP3 7521 57.899 52.250 49.677 1.00 0.00 WT1 O ATOM 21950 H1 TIP3 7521 58.248 53.110 49.443 1.00 0.00 WT1 H ATOM 21951 H2 TIP3 7521 57.848 52.263 50.632 1.00 0.00 WT1 H ATOM 21952 OH2 TIP3 7522 82.943 47.720 -14.455 1.00 0.00 WT1 O ATOM 21953 H1 TIP3 7522 82.453 47.331 -15.179 1.00 0.00 WT1 H ATOM 21954 H2 TIP3 7522 83.513 47.016 -14.145 1.00 0.00 WT1 H ATOM 21955 OH2 TIP3 7523 41.040 29.174 -0.629 1.00 0.00 WT1 O ATOM 21956 H1 TIP3 7523 41.489 28.350 -0.443 1.00 0.00 WT1 H ATOM 21957 H2 TIP3 7523 41.354 29.429 -1.496 1.00 0.00 WT1 H ATOM 21958 OH2 TIP3 7524 62.118 64.275 64.434 1.00 0.00 WT1 O ATOM 21959 H1 TIP3 7524 62.346 64.753 65.232 1.00 0.00 WT1 H ATOM 21960 H2 TIP3 7524 62.565 64.750 63.734 1.00 0.00 WT1 H ATOM 21961 OH2 TIP3 7525 64.588 23.896 9.644 1.00 0.00 WT1 O ATOM 21962 H1 TIP3 7525 64.101 23.334 10.248 1.00 0.00 WT1 H ATOM 21963 H2 TIP3 7525 63.976 24.065 8.928 1.00 0.00 WT1 H ATOM 21964 OH2 TIP3 7526 23.789 28.918 48.977 1.00 0.00 WT1 O ATOM 21965 H1 TIP3 7526 23.113 28.910 48.300 1.00 0.00 WT1 H ATOM 21966 H2 TIP3 7526 23.477 28.296 49.635 1.00 0.00 WT1 H ATOM 21967 OH2 TIP3 7527 72.482 92.455 31.665 1.00 0.00 WT1 O ATOM 21968 H1 TIP3 7527 72.776 92.871 32.475 1.00 0.00 WT1 H ATOM 21969 H2 TIP3 7527 71.736 91.917 31.928 1.00 0.00 WT1 H ATOM 21970 OH2 TIP3 7529 30.127 24.561 6.869 1.00 0.00 WT1 O ATOM 21971 H1 TIP3 7529 29.278 24.244 6.562 1.00 0.00 WT1 H ATOM 21972 H2 TIP3 7529 29.922 25.358 7.358 1.00 0.00 WT1 H ATOM 21973 OH2 TIP3 7530 39.134 8.995 -4.122 1.00 0.00 WT1 O ATOM 21974 H1 TIP3 7530 38.733 9.136 -4.980 1.00 0.00 WT1 H ATOM 21975 H2 TIP3 7530 38.707 9.634 -3.551 1.00 0.00 WT1 H ATOM 21976 OH2 TIP3 7531 68.789 91.317 21.680 1.00 0.00 WT1 O ATOM 21977 H1 TIP3 7531 68.621 92.057 21.096 1.00 0.00 WT1 H ATOM 21978 H2 TIP3 7531 69.715 91.398 21.908 1.00 0.00 WT1 H ATOM 21979 OH2 TIP3 7532 41.363 77.463 0.196 1.00 0.00 WT1 O ATOM 21980 H1 TIP3 7532 42.225 77.221 -0.143 1.00 0.00 WT1 H ATOM 21981 H2 TIP3 7532 41.301 77.011 1.037 1.00 0.00 WT1 H ATOM 21982 OH2 TIP3 7534 75.375 35.323 36.986 1.00 0.00 WT1 O ATOM 21983 H1 TIP3 7534 75.627 35.572 36.097 1.00 0.00 WT1 H ATOM 21984 H2 TIP3 7534 74.426 35.207 36.943 1.00 0.00 WT1 H ATOM 21985 OH2 TIP3 7535 21.196 60.308 20.198 1.00 0.00 WT1 O ATOM 21986 H1 TIP3 7535 20.906 59.447 19.896 1.00 0.00 WT1 H ATOM 21987 H2 TIP3 7535 22.042 60.144 20.614 1.00 0.00 WT1 H ATOM 21988 OH2 TIP3 7536 70.896 36.713 39.860 1.00 0.00 WT1 O ATOM 21989 H1 TIP3 7536 70.452 37.556 39.950 1.00 0.00 WT1 H ATOM 21990 H2 TIP3 7536 71.135 36.665 38.935 1.00 0.00 WT1 H ATOM 21991 OH2 TIP3 7537 69.300 24.951 66.716 1.00 0.00 WT1 O ATOM 21992 H1 TIP3 7537 69.549 25.453 65.940 1.00 0.00 WT1 H ATOM 21993 H2 TIP3 7537 69.371 25.575 67.438 1.00 0.00 WT1 H ATOM 21994 OH2 TIP3 7538 52.032 91.768 26.617 1.00 0.00 WT1 O ATOM 21995 H1 TIP3 7538 51.352 92.428 26.482 1.00 0.00 WT1 H ATOM 21996 H2 TIP3 7538 52.838 92.189 26.316 1.00 0.00 WT1 H ATOM 21997 OH2 TIP3 7539 62.219 85.134 31.453 1.00 0.00 WT1 O ATOM 21998 H1 TIP3 7539 61.782 84.370 31.829 1.00 0.00 WT1 H ATOM 21999 H2 TIP3 7539 62.526 84.837 30.596 1.00 0.00 WT1 H ATOM 22000 OH2 TIP3 7540 70.022 81.003 27.461 1.00 0.00 WT1 O ATOM 22001 H1 TIP3 7540 70.437 80.376 26.868 1.00 0.00 WT1 H ATOM 22002 H2 TIP3 7540 70.244 80.688 28.337 1.00 0.00 WT1 H ATOM 22003 OH2 TIP3 7541 80.607 49.320 43.667 1.00 0.00 WT1 O ATOM 22004 H1 TIP3 7541 81.230 49.892 43.218 1.00 0.00 WT1 H ATOM 22005 H2 TIP3 7541 80.166 48.845 42.963 1.00 0.00 WT1 H ATOM 22006 OH2 TIP3 7542 32.304 76.270 -7.453 1.00 0.00 WT1 O ATOM 22007 H1 TIP3 7542 31.379 76.509 -7.396 1.00 0.00 WT1 H ATOM 22008 H2 TIP3 7542 32.397 75.874 -8.319 1.00 0.00 WT1 H ATOM 22009 OH2 TIP3 7543 51.221 69.332 10.715 1.00 0.00 WT1 O ATOM 22010 H1 TIP3 7543 50.850 68.754 11.382 1.00 0.00 WT1 H ATOM 22011 H2 TIP3 7543 52.110 69.512 11.022 1.00 0.00 WT1 H ATOM 22012 OH2 TIP3 7544 84.129 17.715 57.163 1.00 0.00 WT1 O ATOM 22013 H1 TIP3 7544 84.748 17.651 57.891 1.00 0.00 WT1 H ATOM 22014 H2 TIP3 7544 84.266 16.913 56.660 1.00 0.00 WT1 H ATOM 22015 OH2 TIP3 7545 82.043 71.641 43.219 1.00 0.00 WT1 O ATOM 22016 H1 TIP3 7545 82.182 71.325 42.326 1.00 0.00 WT1 H ATOM 22017 H2 TIP3 7545 81.916 72.585 43.122 1.00 0.00 WT1 H ATOM 22018 OH2 TIP3 7546 75.736 47.643 0.072 1.00 0.00 WT1 O ATOM 22019 H1 TIP3 7546 74.952 48.088 -0.251 1.00 0.00 WT1 H ATOM 22020 H2 TIP3 7546 76.088 48.231 0.739 1.00 0.00 WT1 H ATOM 22021 OH2 TIP3 7547 51.848 47.855 42.639 1.00 0.00 WT1 O ATOM 22022 H1 TIP3 7547 52.544 47.209 42.756 1.00 0.00 WT1 H ATOM 22023 H2 TIP3 7547 51.201 47.414 42.088 1.00 0.00 WT1 H ATOM 22024 OH2 TIP3 7548 69.865 63.801 30.116 1.00 0.00 WT1 O ATOM 22025 H1 TIP3 7548 69.023 63.466 30.426 1.00 0.00 WT1 H ATOM 22026 H2 TIP3 7548 69.646 64.315 29.339 1.00 0.00 WT1 H ATOM 22027 OH2 TIP3 7549 67.636 45.681 4.840 1.00 0.00 WT1 O ATOM 22028 H1 TIP3 7549 66.687 45.693 4.711 1.00 0.00 WT1 H ATOM 22029 H2 TIP3 7549 67.779 46.213 5.622 1.00 0.00 WT1 H ATOM 22030 OH2 TIP3 7550 89.080 26.638 53.764 1.00 0.00 WT1 O ATOM 22031 H1 TIP3 7550 89.277 25.761 54.093 1.00 0.00 WT1 H ATOM 22032 H2 TIP3 7550 88.707 26.490 52.895 1.00 0.00 WT1 H ATOM 22033 OH2 TIP3 7551 26.744 91.129 25.563 1.00 0.00 WT1 O ATOM 22034 H1 TIP3 7551 26.499 91.254 24.647 1.00 0.00 WT1 H ATOM 22035 H2 TIP3 7551 26.316 90.312 25.817 1.00 0.00 WT1 H ATOM 22036 OH2 TIP3 7552 88.799 73.581 26.778 1.00 0.00 WT1 O ATOM 22037 H1 TIP3 7552 89.315 72.937 26.293 1.00 0.00 WT1 H ATOM 22038 H2 TIP3 7552 88.582 74.252 26.131 1.00 0.00 WT1 H ATOM 22039 OH2 TIP3 7553 36.213 92.519 60.987 1.00 0.00 WT1 O ATOM 22040 H1 TIP3 7553 35.849 93.116 61.640 1.00 0.00 WT1 H ATOM 22041 H2 TIP3 7553 35.623 91.765 60.996 1.00 0.00 WT1 H ATOM 22042 OH2 TIP3 7554 46.267 54.215 63.968 1.00 0.00 WT1 O ATOM 22043 H1 TIP3 7554 46.994 54.140 64.586 1.00 0.00 WT1 H ATOM 22044 H2 TIP3 7554 45.766 54.969 64.279 1.00 0.00 WT1 H ATOM 22045 OH2 TIP3 7555 77.597 46.128 60.660 1.00 0.00 WT1 O ATOM 22046 H1 TIP3 7555 77.763 47.070 60.677 1.00 0.00 WT1 H ATOM 22047 H2 TIP3 7555 77.724 45.878 59.745 1.00 0.00 WT1 H ATOM 22048 OH2 TIP3 7556 22.088 89.499 51.559 1.00 0.00 WT1 O ATOM 22049 H1 TIP3 7556 22.410 88.704 51.985 1.00 0.00 WT1 H ATOM 22050 H2 TIP3 7556 22.742 90.166 51.770 1.00 0.00 WT1 H ATOM 22051 OH2 TIP3 7557 83.549 30.120 -3.534 1.00 0.00 WT1 O ATOM 22052 H1 TIP3 7557 82.882 30.671 -3.126 1.00 0.00 WT1 H ATOM 22053 H2 TIP3 7557 84.373 30.578 -3.367 1.00 0.00 WT1 H ATOM 22054 OH2 TIP3 7558 65.475 5.141 32.740 1.00 0.00 WT1 O ATOM 22055 H1 TIP3 7558 64.532 5.105 32.582 1.00 0.00 WT1 H ATOM 22056 H2 TIP3 7558 65.686 6.074 32.724 1.00 0.00 WT1 H ATOM 22057 OH2 TIP3 7559 74.355 47.087 3.936 1.00 0.00 WT1 O ATOM 22058 H1 TIP3 7559 74.351 46.779 4.842 1.00 0.00 WT1 H ATOM 22059 H2 TIP3 7559 75.165 46.736 3.567 1.00 0.00 WT1 H ATOM 22060 OH2 TIP3 7560 60.783 89.624 50.005 1.00 0.00 WT1 O ATOM 22061 H1 TIP3 7560 60.027 89.045 49.905 1.00 0.00 WT1 H ATOM 22062 H2 TIP3 7560 61.244 89.564 49.169 1.00 0.00 WT1 H ATOM 22063 OH2 TIP3 7561 58.755 22.761 55.962 1.00 0.00 WT1 O ATOM 22064 H1 TIP3 7561 58.640 23.378 56.684 1.00 0.00 WT1 H ATOM 22065 H2 TIP3 7561 58.339 23.188 55.213 1.00 0.00 WT1 H ATOM 22066 OH2 TIP3 7562 45.250 10.200 48.957 1.00 0.00 WT1 O ATOM 22067 H1 TIP3 7562 44.493 9.680 49.228 1.00 0.00 WT1 H ATOM 22068 H2 TIP3 7562 45.175 10.256 48.005 1.00 0.00 WT1 H ATOM 22069 OH2 TIP3 7563 21.755 83.453 9.656 1.00 0.00 WT1 O ATOM 22070 H1 TIP3 7563 22.173 82.774 9.127 1.00 0.00 WT1 H ATOM 22071 H2 TIP3 7563 21.649 83.054 10.520 1.00 0.00 WT1 H ATOM 22072 OH2 TIP3 7564 75.494 58.143 -8.371 1.00 0.00 WT1 O ATOM 22073 H1 TIP3 7564 75.889 57.778 -9.163 1.00 0.00 WT1 H ATOM 22074 H2 TIP3 7564 75.223 59.026 -8.623 1.00 0.00 WT1 H ATOM 22075 OH2 TIP3 7565 63.956 61.583 55.204 1.00 0.00 WT1 O ATOM 22076 H1 TIP3 7565 64.668 61.938 55.737 1.00 0.00 WT1 H ATOM 22077 H2 TIP3 7565 64.381 60.950 54.626 1.00 0.00 WT1 H ATOM 22078 OH2 TIP3 7566 22.747 50.044 -15.790 1.00 0.00 WT1 O ATOM 22079 H1 TIP3 7566 22.374 49.337 -15.265 1.00 0.00 WT1 H ATOM 22080 H2 TIP3 7566 23.649 49.770 -15.957 1.00 0.00 WT1 H ATOM 22081 OH2 TIP3 7567 56.248 15.214 11.831 1.00 0.00 WT1 O ATOM 22082 H1 TIP3 7567 57.169 14.967 11.746 1.00 0.00 WT1 H ATOM 22083 H2 TIP3 7567 56.198 15.668 12.672 1.00 0.00 WT1 H ATOM 22084 OH2 TIP3 7568 32.203 80.243 -5.332 1.00 0.00 WT1 O ATOM 22085 H1 TIP3 7568 32.009 81.135 -5.619 1.00 0.00 WT1 H ATOM 22086 H2 TIP3 7568 33.078 80.064 -5.676 1.00 0.00 WT1 H ATOM 22087 OH2 TIP3 7569 69.145 61.507 50.779 1.00 0.00 WT1 O ATOM 22088 H1 TIP3 7569 68.235 61.210 50.815 1.00 0.00 WT1 H ATOM 22089 H2 TIP3 7569 69.132 62.248 50.174 1.00 0.00 WT1 H ATOM 22090 OH2 TIP3 7570 33.684 1.483 27.963 1.00 0.00 WT1 O ATOM 22091 H1 TIP3 7570 33.832 2.327 28.391 1.00 0.00 WT1 H ATOM 22092 H2 TIP3 7570 33.864 1.648 27.038 1.00 0.00 WT1 H ATOM 22093 OH2 TIP3 7571 37.504 75.928 35.039 1.00 0.00 WT1 O ATOM 22094 H1 TIP3 7571 37.794 75.057 34.768 1.00 0.00 WT1 H ATOM 22095 H2 TIP3 7571 38.183 76.519 34.713 1.00 0.00 WT1 H ATOM 22096 OH2 TIP3 7572 85.389 82.683 -19.413 1.00 0.00 WT1 O ATOM 22097 H1 TIP3 7572 84.714 82.671 -20.091 1.00 0.00 WT1 H ATOM 22098 H2 TIP3 7572 86.199 82.878 -19.885 1.00 0.00 WT1 H ATOM 22099 OH2 TIP3 7573 30.876 19.899 11.388 1.00 0.00 WT1 O ATOM 22100 H1 TIP3 7573 31.593 19.760 10.769 1.00 0.00 WT1 H ATOM 22101 H2 TIP3 7573 30.288 19.157 11.245 1.00 0.00 WT1 H ATOM 22102 OH2 TIP3 7574 52.137 77.893 -3.179 1.00 0.00 WT1 O ATOM 22103 H1 TIP3 7574 51.877 77.289 -2.484 1.00 0.00 WT1 H ATOM 22104 H2 TIP3 7574 52.830 77.431 -3.652 1.00 0.00 WT1 H ATOM 22105 OH2 TIP3 7575 52.309 75.111 61.939 1.00 0.00 WT1 O ATOM 22106 H1 TIP3 7575 51.392 74.840 61.895 1.00 0.00 WT1 H ATOM 22107 H2 TIP3 7575 52.486 75.206 62.875 1.00 0.00 WT1 H ATOM 22108 OH2 TIP3 7576 57.245 57.789 -6.941 1.00 0.00 WT1 O ATOM 22109 H1 TIP3 7576 57.025 57.290 -6.154 1.00 0.00 WT1 H ATOM 22110 H2 TIP3 7576 58.077 58.212 -6.732 1.00 0.00 WT1 H ATOM 22111 OH2 TIP3 7577 57.038 42.667 54.805 1.00 0.00 WT1 O ATOM 22112 H1 TIP3 7577 57.974 42.482 54.732 1.00 0.00 WT1 H ATOM 22113 H2 TIP3 7577 56.646 42.218 54.057 1.00 0.00 WT1 H ATOM 22114 OH2 TIP3 7578 63.691 18.258 3.329 1.00 0.00 WT1 O ATOM 22115 H1 TIP3 7578 63.097 17.970 4.021 1.00 0.00 WT1 H ATOM 22116 H2 TIP3 7578 63.114 18.513 2.608 1.00 0.00 WT1 H ATOM 22117 OH2 TIP3 7579 90.106 31.378 62.338 1.00 0.00 WT1 O ATOM 22118 H1 TIP3 7579 89.905 30.449 62.447 1.00 0.00 WT1 H ATOM 22119 H2 TIP3 7579 90.124 31.510 61.390 1.00 0.00 WT1 H ATOM 22120 OH2 TIP3 7580 78.302 5.103 -14.749 1.00 0.00 WT1 O ATOM 22121 H1 TIP3 7580 77.494 4.773 -14.357 1.00 0.00 WT1 H ATOM 22122 H2 TIP3 7580 78.457 4.528 -15.499 1.00 0.00 WT1 H ATOM 22123 OH2 TIP3 7581 78.506 87.379 50.237 1.00 0.00 WT1 O ATOM 22124 H1 TIP3 7581 78.708 86.862 51.016 1.00 0.00 WT1 H ATOM 22125 H2 TIP3 7581 79.089 88.136 50.293 1.00 0.00 WT1 H ATOM 22126 OH2 TIP3 7582 21.827 32.215 51.039 1.00 0.00 WT1 O ATOM 22127 H1 TIP3 7582 20.991 32.194 50.573 1.00 0.00 WT1 H ATOM 22128 H2 TIP3 7582 22.011 33.146 51.160 1.00 0.00 WT1 H ATOM 22129 OH2 TIP3 7584 22.609 39.252 26.535 1.00 0.00 WT1 O ATOM 22130 H1 TIP3 7584 22.485 39.869 25.814 1.00 0.00 WT1 H ATOM 22131 H2 TIP3 7584 21.724 39.073 26.852 1.00 0.00 WT1 H ATOM 22132 OH2 TIP3 7585 78.169 36.205 51.847 1.00 0.00 WT1 O ATOM 22133 H1 TIP3 7585 77.842 36.349 52.734 1.00 0.00 WT1 H ATOM 22134 H2 TIP3 7585 77.845 35.336 51.610 1.00 0.00 WT1 H ATOM 22135 OH2 TIP3 7586 31.237 84.404 20.060 1.00 0.00 WT1 O ATOM 22136 H1 TIP3 7586 30.988 83.528 20.353 1.00 0.00 WT1 H ATOM 22137 H2 TIP3 7586 32.184 84.441 20.191 1.00 0.00 WT1 H ATOM 22138 OH2 TIP3 7587 42.668 95.764 61.829 1.00 0.00 WT1 O ATOM 22139 H1 TIP3 7587 43.058 94.890 61.841 1.00 0.00 WT1 H ATOM 22140 H2 TIP3 7587 41.811 95.650 62.239 1.00 0.00 WT1 H ATOM 22141 OH2 TIP3 7588 88.292 66.004 -2.362 1.00 0.00 WT1 O ATOM 22142 H1 TIP3 7588 88.224 65.603 -1.496 1.00 0.00 WT1 H ATOM 22143 H2 TIP3 7588 87.582 65.608 -2.867 1.00 0.00 WT1 H ATOM 22144 OH2 TIP3 7589 66.071 36.958 23.787 1.00 0.00 WT1 O ATOM 22145 H1 TIP3 7589 66.428 36.539 23.004 1.00 0.00 WT1 H ATOM 22146 H2 TIP3 7589 65.143 36.721 23.784 1.00 0.00 WT1 H ATOM 22147 OH2 TIP3 7590 63.026 27.153 19.936 1.00 0.00 WT1 O ATOM 22148 H1 TIP3 7590 63.624 27.589 20.543 1.00 0.00 WT1 H ATOM 22149 H2 TIP3 7590 62.697 26.398 20.423 1.00 0.00 WT1 H ATOM 22150 OH2 TIP3 7591 87.878 87.938 17.175 1.00 0.00 WT1 O ATOM 22151 H1 TIP3 7591 86.964 87.889 16.896 1.00 0.00 WT1 H ATOM 22152 H2 TIP3 7591 87.874 87.604 18.072 1.00 0.00 WT1 H ATOM 22153 OH2 TIP3 7592 73.336 6.860 -12.985 1.00 0.00 WT1 O ATOM 22154 H1 TIP3 7592 73.782 6.371 -12.293 1.00 0.00 WT1 H ATOM 22155 H2 TIP3 7592 73.687 7.748 -12.915 1.00 0.00 WT1 H ATOM 22156 OH2 TIP3 7593 33.352 18.095 10.567 1.00 0.00 WT1 O ATOM 22157 H1 TIP3 7593 33.794 17.528 11.198 1.00 0.00 WT1 H ATOM 22158 H2 TIP3 7593 33.989 18.784 10.376 1.00 0.00 WT1 H ATOM 22159 OH2 TIP3 7594 56.018 -0.150 36.089 1.00 0.00 WT1 O ATOM 22160 H1 TIP3 7594 56.162 0.424 35.336 1.00 0.00 WT1 H ATOM 22161 H2 TIP3 7594 55.534 0.390 36.713 1.00 0.00 WT1 H ATOM 22162 OH2 TIP3 7595 39.724 47.825 51.247 1.00 0.00 WT1 O ATOM 22163 H1 TIP3 7595 39.837 47.513 50.350 1.00 0.00 WT1 H ATOM 22164 H2 TIP3 7595 40.413 48.480 51.361 1.00 0.00 WT1 H ATOM 22165 OH2 TIP3 7596 29.452 80.796 44.083 1.00 0.00 WT1 O ATOM 22166 H1 TIP3 7596 29.231 81.372 44.815 1.00 0.00 WT1 H ATOM 22167 H2 TIP3 7596 30.341 80.497 44.272 1.00 0.00 WT1 H ATOM 22168 OH2 TIP3 7597 49.427 93.476 26.390 1.00 0.00 WT1 O ATOM 22169 H1 TIP3 7597 49.255 92.799 27.044 1.00 0.00 WT1 H ATOM 22170 H2 TIP3 7597 48.943 93.191 25.615 1.00 0.00 WT1 H ATOM 22171 OH2 TIP3 7598 55.867 63.572 -13.414 1.00 0.00 WT1 O ATOM 22172 H1 TIP3 7598 56.217 62.808 -12.955 1.00 0.00 WT1 H ATOM 22173 H2 TIP3 7598 56.026 64.304 -12.818 1.00 0.00 WT1 H ATOM 22174 OH2 TIP3 7599 51.213 5.979 42.004 1.00 0.00 WT1 O ATOM 22175 H1 TIP3 7599 51.591 6.337 42.808 1.00 0.00 WT1 H ATOM 22176 H2 TIP3 7599 51.693 5.164 41.856 1.00 0.00 WT1 H ATOM 22177 OH2 TIP3 7600 31.182 42.372 11.615 1.00 0.00 WT1 O ATOM 22178 H1 TIP3 7600 31.293 42.608 12.536 1.00 0.00 WT1 H ATOM 22179 H2 TIP3 7600 30.683 41.555 11.636 1.00 0.00 WT1 H ATOM 22180 OH2 TIP3 7601 84.538 62.653 6.936 1.00 0.00 WT1 O ATOM 22181 H1 TIP3 7601 84.730 62.351 7.823 1.00 0.00 WT1 H ATOM 22182 H2 TIP3 7601 83.828 62.084 6.637 1.00 0.00 WT1 H ATOM 22183 OH2 TIP3 7602 59.731 48.659 -18.992 1.00 0.00 WT1 O ATOM 22184 H1 TIP3 7602 59.052 48.271 -19.545 1.00 0.00 WT1 H ATOM 22185 H2 TIP3 7602 59.533 49.596 -18.992 1.00 0.00 WT1 H ATOM 22186 OH2 TIP3 7603 48.839 23.138 -4.170 1.00 0.00 WT1 O ATOM 22187 H1 TIP3 7603 47.885 23.171 -4.109 1.00 0.00 WT1 H ATOM 22188 H2 TIP3 7603 49.118 24.048 -4.070 1.00 0.00 WT1 H ATOM 22189 OH2 TIP3 7604 69.660 84.453 0.194 1.00 0.00 WT1 O ATOM 22190 H1 TIP3 7604 69.812 84.249 -0.728 1.00 0.00 WT1 H ATOM 22191 H2 TIP3 7604 70.102 85.292 0.331 1.00 0.00 WT1 H ATOM 22192 OH2 TIP3 7605 66.538 13.386 47.592 1.00 0.00 WT1 O ATOM 22193 H1 TIP3 7605 66.183 12.559 47.268 1.00 0.00 WT1 H ATOM 22194 H2 TIP3 7605 65.782 13.847 47.954 1.00 0.00 WT1 H ATOM 22195 OH2 TIP3 7606 58.622 33.994 28.791 1.00 0.00 WT1 O ATOM 22196 H1 TIP3 7606 59.292 34.345 29.379 1.00 0.00 WT1 H ATOM 22197 H2 TIP3 7606 58.847 34.349 27.932 1.00 0.00 WT1 H ATOM 22198 OH2 TIP3 7608 71.499 3.984 34.228 1.00 0.00 WT1 O ATOM 22199 H1 TIP3 7608 71.606 4.654 34.903 1.00 0.00 WT1 H ATOM 22200 H2 TIP3 7608 70.879 4.366 33.607 1.00 0.00 WT1 H ATOM 22201 OH2 TIP3 7609 59.369 93.228 63.339 1.00 0.00 WT1 O ATOM 22202 H1 TIP3 7609 59.447 92.425 63.854 1.00 0.00 WT1 H ATOM 22203 H2 TIP3 7609 58.763 93.776 63.838 1.00 0.00 WT1 H ATOM 22204 OH2 TIP3 7610 51.503 21.071 -8.722 1.00 0.00 WT1 O ATOM 22205 H1 TIP3 7610 50.705 20.782 -9.164 1.00 0.00 WT1 H ATOM 22206 H2 TIP3 7610 51.476 20.637 -7.869 1.00 0.00 WT1 H ATOM 22207 OH2 TIP3 7611 55.461 81.555 -2.609 1.00 0.00 WT1 O ATOM 22208 H1 TIP3 7611 55.836 81.793 -3.457 1.00 0.00 WT1 H ATOM 22209 H2 TIP3 7611 55.259 80.623 -2.688 1.00 0.00 WT1 H ATOM 22210 OH2 TIP3 7612 49.767 12.310 0.130 1.00 0.00 WT1 O ATOM 22211 H1 TIP3 7612 49.217 12.462 0.898 1.00 0.00 WT1 H ATOM 22212 H2 TIP3 7612 50.553 12.831 0.291 1.00 0.00 WT1 H ATOM 22213 OH2 TIP3 7613 23.961 33.189 19.869 1.00 0.00 WT1 O ATOM 22214 H1 TIP3 7613 24.333 33.917 19.370 1.00 0.00 WT1 H ATOM 22215 H2 TIP3 7613 23.034 33.184 19.630 1.00 0.00 WT1 H ATOM 22216 OH2 TIP3 7614 41.946 81.698 38.525 1.00 0.00 WT1 O ATOM 22217 H1 TIP3 7614 42.679 81.084 38.579 1.00 0.00 WT1 H ATOM 22218 H2 TIP3 7614 41.469 81.434 37.739 1.00 0.00 WT1 H ATOM 22219 OH2 TIP3 7615 73.873 93.675 1.435 1.00 0.00 WT1 O ATOM 22220 H1 TIP3 7615 74.116 94.148 2.230 1.00 0.00 WT1 H ATOM 22221 H2 TIP3 7615 73.492 92.855 1.750 1.00 0.00 WT1 H ATOM 22222 OH2 TIP3 7616 83.697 44.969 -12.354 1.00 0.00 WT1 O ATOM 22223 H1 TIP3 7616 84.253 45.066 -13.127 1.00 0.00 WT1 H ATOM 22224 H2 TIP3 7616 83.074 44.282 -12.592 1.00 0.00 WT1 H ATOM 22225 OH2 TIP3 7617 82.180 76.291 1.277 1.00 0.00 WT1 O ATOM 22226 H1 TIP3 7617 81.305 75.949 1.092 1.00 0.00 WT1 H ATOM 22227 H2 TIP3 7617 82.077 77.242 1.249 1.00 0.00 WT1 H ATOM 22228 OH2 TIP3 7618 62.115 6.142 36.406 1.00 0.00 WT1 O ATOM 22229 H1 TIP3 7618 61.408 6.158 37.051 1.00 0.00 WT1 H ATOM 22230 H2 TIP3 7618 62.552 5.303 36.550 1.00 0.00 WT1 H ATOM 22231 OH2 TIP3 7619 34.775 15.345 38.752 1.00 0.00 WT1 O ATOM 22232 H1 TIP3 7619 35.428 14.873 38.236 1.00 0.00 WT1 H ATOM 22233 H2 TIP3 7619 34.374 15.955 38.133 1.00 0.00 WT1 H ATOM 22234 OH2 TIP3 7620 20.594 72.867 58.607 1.00 0.00 WT1 O ATOM 22235 H1 TIP3 7620 20.254 73.253 59.415 1.00 0.00 WT1 H ATOM 22236 H2 TIP3 7620 20.527 71.922 58.747 1.00 0.00 WT1 H ATOM 22237 OH2 TIP3 7621 27.759 90.109 67.311 1.00 0.00 WT1 O ATOM 22238 H1 TIP3 7621 27.638 90.004 66.367 1.00 0.00 WT1 H ATOM 22239 H2 TIP3 7621 26.873 90.213 67.656 1.00 0.00 WT1 H ATOM 22240 OH2 TIP3 7622 52.258 20.396 27.611 1.00 0.00 WT1 O ATOM 22241 H1 TIP3 7622 51.451 20.552 27.119 1.00 0.00 WT1 H ATOM 22242 H2 TIP3 7622 52.746 21.215 27.537 1.00 0.00 WT1 H ATOM 22243 OH2 TIP3 7623 22.023 10.755 57.015 1.00 0.00 WT1 O ATOM 22244 H1 TIP3 7623 21.071 10.809 56.933 1.00 0.00 WT1 H ATOM 22245 H2 TIP3 7623 22.185 10.777 57.958 1.00 0.00 WT1 H ATOM 22246 OH2 TIP3 7624 62.048 7.914 -16.568 1.00 0.00 WT1 O ATOM 22247 H1 TIP3 7624 62.486 7.064 -16.544 1.00 0.00 WT1 H ATOM 22248 H2 TIP3 7624 61.921 8.146 -15.648 1.00 0.00 WT1 H ATOM 22249 OH2 TIP3 7625 31.642 0.132 -0.974 1.00 0.00 WT1 O ATOM 22250 H1 TIP3 7625 31.400 0.008 -0.057 1.00 0.00 WT1 H ATOM 22251 H2 TIP3 7625 31.904 1.051 -1.032 1.00 0.00 WT1 H ATOM 22252 OH2 TIP3 7626 48.985 48.267 38.178 1.00 0.00 WT1 O ATOM 22253 H1 TIP3 7626 48.758 49.121 37.810 1.00 0.00 WT1 H ATOM 22254 H2 TIP3 7626 49.659 48.458 38.831 1.00 0.00 WT1 H ATOM 22255 OH2 TIP3 7627 32.115 90.167 -11.106 1.00 0.00 WT1 O ATOM 22256 H1 TIP3 7627 32.162 90.620 -10.264 1.00 0.00 WT1 H ATOM 22257 H2 TIP3 7627 32.921 89.652 -11.146 1.00 0.00 WT1 H ATOM 22258 OH2 TIP3 7628 21.581 1.013 -12.582 1.00 0.00 WT1 O ATOM 22259 H1 TIP3 7628 20.760 1.480 -12.735 1.00 0.00 WT1 H ATOM 22260 H2 TIP3 7628 21.323 0.095 -12.498 1.00 0.00 WT1 H ATOM 22261 OH2 TIP3 7630 23.921 0.614 13.948 1.00 0.00 WT1 O ATOM 22262 H1 TIP3 7630 24.785 0.391 14.296 1.00 0.00 WT1 H ATOM 22263 H2 TIP3 7630 23.852 0.110 13.137 1.00 0.00 WT1 H ATOM 22264 OH2 TIP3 7631 71.616 5.667 36.585 1.00 0.00 WT1 O ATOM 22265 H1 TIP3 7631 72.549 5.490 36.470 1.00 0.00 WT1 H ATOM 22266 H2 TIP3 7631 71.454 5.508 37.515 1.00 0.00 WT1 H ATOM 22267 OH2 TIP3 7632 42.874 17.199 59.275 1.00 0.00 WT1 O ATOM 22268 H1 TIP3 7632 43.769 16.895 59.128 1.00 0.00 WT1 H ATOM 22269 H2 TIP3 7632 42.342 16.680 58.671 1.00 0.00 WT1 H ATOM 22270 OH2 TIP3 7633 64.260 44.733 14.872 1.00 0.00 WT1 O ATOM 22271 H1 TIP3 7633 65.032 45.096 15.306 1.00 0.00 WT1 H ATOM 22272 H2 TIP3 7633 63.550 45.329 15.107 1.00 0.00 WT1 H ATOM 22273 OH2 TIP3 7634 21.738 93.603 59.393 1.00 0.00 WT1 O ATOM 22274 H1 TIP3 7634 21.394 93.603 60.286 1.00 0.00 WT1 H ATOM 22275 H2 TIP3 7634 22.545 94.114 59.447 1.00 0.00 WT1 H ATOM 22276 OH2 TIP3 7635 51.012 7.530 -0.018 1.00 0.00 WT1 O ATOM 22277 H1 TIP3 7635 50.617 8.164 0.580 1.00 0.00 WT1 H ATOM 22278 H2 TIP3 7635 51.764 7.183 0.462 1.00 0.00 WT1 H ATOM 22279 OH2 TIP3 7636 87.918 64.729 26.327 1.00 0.00 WT1 O ATOM 22280 H1 TIP3 7636 87.281 64.121 25.951 1.00 0.00 WT1 H ATOM 22281 H2 TIP3 7636 88.758 64.455 25.959 1.00 0.00 WT1 H ATOM 22282 OH2 TIP3 7637 22.728 26.583 45.986 1.00 0.00 WT1 O ATOM 22283 H1 TIP3 7637 22.963 26.179 45.151 1.00 0.00 WT1 H ATOM 22284 H2 TIP3 7637 21.943 26.114 46.268 1.00 0.00 WT1 H ATOM 22285 OH2 TIP3 7638 79.181 24.383 31.209 1.00 0.00 WT1 O ATOM 22286 H1 TIP3 7638 79.503 25.254 31.442 1.00 0.00 WT1 H ATOM 22287 H2 TIP3 7638 79.740 23.781 31.700 1.00 0.00 WT1 H ATOM 22288 OH2 TIP3 7639 33.761 27.606 49.820 1.00 0.00 WT1 O ATOM 22289 H1 TIP3 7639 33.498 27.486 48.907 1.00 0.00 WT1 H ATOM 22290 H2 TIP3 7639 34.446 26.952 49.960 1.00 0.00 WT1 H ATOM 22291 OH2 TIP3 7640 62.304 36.351 -13.248 1.00 0.00 WT1 O ATOM 22292 H1 TIP3 7640 63.115 36.604 -12.808 1.00 0.00 WT1 H ATOM 22293 H2 TIP3 7640 61.999 35.581 -12.768 1.00 0.00 WT1 H ATOM 22294 OH2 TIP3 7641 73.729 61.112 -11.705 1.00 0.00 WT1 O ATOM 22295 H1 TIP3 7641 74.129 61.607 -12.421 1.00 0.00 WT1 H ATOM 22296 H2 TIP3 7641 72.958 61.623 -11.461 1.00 0.00 WT1 H ATOM 22297 OH2 TIP3 7642 58.099 84.359 17.411 1.00 0.00 WT1 O ATOM 22298 H1 TIP3 7642 57.242 84.159 17.786 1.00 0.00 WT1 H ATOM 22299 H2 TIP3 7642 57.936 84.450 16.472 1.00 0.00 WT1 H ATOM 22300 OH2 TIP3 7643 71.098 75.459 65.342 1.00 0.00 WT1 O ATOM 22301 H1 TIP3 7643 70.331 76.013 65.488 1.00 0.00 WT1 H ATOM 22302 H2 TIP3 7643 71.232 75.481 64.394 1.00 0.00 WT1 H ATOM 22303 OH2 TIP3 7644 26.848 55.542 29.026 1.00 0.00 WT1 O ATOM 22304 H1 TIP3 7644 26.929 55.708 28.087 1.00 0.00 WT1 H ATOM 22305 H2 TIP3 7644 26.364 54.718 29.083 1.00 0.00 WT1 H ATOM 22306 OH2 TIP3 7645 61.481 13.283 40.474 1.00 0.00 WT1 O ATOM 22307 H1 TIP3 7645 60.861 13.663 41.096 1.00 0.00 WT1 H ATOM 22308 H2 TIP3 7645 60.964 13.126 39.685 1.00 0.00 WT1 H ATOM 22309 OH2 TIP3 7646 44.391 13.720 -1.988 1.00 0.00 WT1 O ATOM 22310 H1 TIP3 7646 45.059 13.796 -1.307 1.00 0.00 WT1 H ATOM 22311 H2 TIP3 7646 43.824 13.009 -1.690 1.00 0.00 WT1 H ATOM 22312 OH2 TIP3 7647 58.644 66.267 59.443 1.00 0.00 WT1 O ATOM 22313 H1 TIP3 7647 58.577 66.030 60.368 1.00 0.00 WT1 H ATOM 22314 H2 TIP3 7647 57.976 65.735 59.010 1.00 0.00 WT1 H ATOM 22315 OH2 TIP3 7648 77.993 12.718 48.057 1.00 0.00 WT1 O ATOM 22316 H1 TIP3 7648 77.267 13.219 47.685 1.00 0.00 WT1 H ATOM 22317 H2 TIP3 7648 78.607 12.608 47.330 1.00 0.00 WT1 H ATOM 22318 OH2 TIP3 7649 66.951 25.606 64.990 1.00 0.00 WT1 O ATOM 22319 H1 TIP3 7649 67.182 25.612 65.919 1.00 0.00 WT1 H ATOM 22320 H2 TIP3 7649 66.440 26.406 64.865 1.00 0.00 WT1 H ATOM 22321 OH2 TIP3 7650 76.511 84.737 12.637 1.00 0.00 WT1 O ATOM 22322 H1 TIP3 7650 75.894 84.192 13.124 1.00 0.00 WT1 H ATOM 22323 H2 TIP3 7650 77.212 84.924 13.262 1.00 0.00 WT1 H ATOM 22324 OH2 TIP3 7651 78.496 59.393 1.389 1.00 0.00 WT1 O ATOM 22325 H1 TIP3 7651 78.177 59.708 2.235 1.00 0.00 WT1 H ATOM 22326 H2 TIP3 7651 77.772 59.556 0.784 1.00 0.00 WT1 H ATOM 22327 OH2 TIP3 7652 26.190 76.160 -5.743 1.00 0.00 WT1 O ATOM 22328 H1 TIP3 7652 26.704 75.504 -5.272 1.00 0.00 WT1 H ATOM 22329 H2 TIP3 7652 26.277 75.916 -6.665 1.00 0.00 WT1 H ATOM 22330 OH2 TIP3 7653 76.187 25.992 22.553 1.00 0.00 WT1 O ATOM 22331 H1 TIP3 7653 75.930 25.861 23.466 1.00 0.00 WT1 H ATOM 22332 H2 TIP3 7653 77.130 25.829 22.543 1.00 0.00 WT1 H ATOM 22333 OH2 TIP3 7654 62.220 48.808 9.117 1.00 0.00 WT1 O ATOM 22334 H1 TIP3 7654 61.290 48.705 9.317 1.00 0.00 WT1 H ATOM 22335 H2 TIP3 7654 62.552 49.385 9.805 1.00 0.00 WT1 H ATOM 22336 OH2 TIP3 7655 72.547 40.758 37.466 1.00 0.00 WT1 O ATOM 22337 H1 TIP3 7655 72.830 41.427 36.842 1.00 0.00 WT1 H ATOM 22338 H2 TIP3 7655 71.682 41.049 37.753 1.00 0.00 WT1 H ATOM 22339 OH2 TIP3 7656 86.020 32.852 11.842 1.00 0.00 WT1 O ATOM 22340 H1 TIP3 7656 85.297 32.782 11.218 1.00 0.00 WT1 H ATOM 22341 H2 TIP3 7656 85.997 32.029 12.330 1.00 0.00 WT1 H ATOM 22342 OH2 TIP3 7657 71.434 86.804 18.941 1.00 0.00 WT1 O ATOM 22343 H1 TIP3 7657 71.419 86.122 19.612 1.00 0.00 WT1 H ATOM 22344 H2 TIP3 7657 70.578 86.742 18.517 1.00 0.00 WT1 H ATOM 22345 OH2 TIP3 7658 89.553 55.187 42.550 1.00 0.00 WT1 O ATOM 22346 H1 TIP3 7658 90.428 55.483 42.798 1.00 0.00 WT1 H ATOM 22347 H2 TIP3 7658 89.589 54.234 42.632 1.00 0.00 WT1 H ATOM 22348 OH2 TIP3 7659 35.909 7.801 21.427 1.00 0.00 WT1 O ATOM 22349 H1 TIP3 7659 36.238 8.126 22.265 1.00 0.00 WT1 H ATOM 22350 H2 TIP3 7659 35.873 8.576 20.867 1.00 0.00 WT1 H ATOM 22351 OH2 TIP3 7660 88.360 55.470 66.977 1.00 0.00 WT1 O ATOM 22352 H1 TIP3 7660 88.345 54.692 67.534 1.00 0.00 WT1 H ATOM 22353 H2 TIP3 7660 89.283 55.717 66.933 1.00 0.00 WT1 H ATOM 22354 OH2 TIP3 7661 88.062 81.080 -3.598 1.00 0.00 WT1 O ATOM 22355 H1 TIP3 7661 88.791 80.517 -3.856 1.00 0.00 WT1 H ATOM 22356 H2 TIP3 7661 88.050 81.034 -2.642 1.00 0.00 WT1 H ATOM 22357 OH2 TIP3 7662 28.253 0.322 11.906 1.00 0.00 WT1 O ATOM 22358 H1 TIP3 7662 27.777 0.198 11.085 1.00 0.00 WT1 H ATOM 22359 H2 TIP3 7662 27.576 0.296 12.582 1.00 0.00 WT1 H ATOM 22360 OH2 TIP3 7663 21.965 68.792 6.731 1.00 0.00 WT1 O ATOM 22361 H1 TIP3 7663 21.132 68.967 7.168 1.00 0.00 WT1 H ATOM 22362 H2 TIP3 7663 22.572 69.430 7.106 1.00 0.00 WT1 H ATOM 22363 OH2 TIP3 7664 44.149 14.109 34.416 1.00 0.00 WT1 O ATOM 22364 H1 TIP3 7664 44.661 13.986 35.215 1.00 0.00 WT1 H ATOM 22365 H2 TIP3 7664 43.979 13.222 34.101 1.00 0.00 WT1 H ATOM 22366 OH2 TIP3 7665 74.050 8.398 -4.799 1.00 0.00 WT1 O ATOM 22367 H1 TIP3 7665 74.513 8.815 -4.073 1.00 0.00 WT1 H ATOM 22368 H2 TIP3 7665 74.739 7.978 -5.313 1.00 0.00 WT1 H ATOM 22369 OH2 TIP3 7666 59.088 78.538 26.558 1.00 0.00 WT1 O ATOM 22370 H1 TIP3 7666 59.480 77.820 26.060 1.00 0.00 WT1 H ATOM 22371 H2 TIP3 7666 58.489 78.958 25.941 1.00 0.00 WT1 H ATOM 22372 OH2 TIP3 7667 43.199 3.936 57.083 1.00 0.00 WT1 O ATOM 22373 H1 TIP3 7667 44.036 3.702 57.484 1.00 0.00 WT1 H ATOM 22374 H2 TIP3 7667 42.794 4.537 57.709 1.00 0.00 WT1 H ATOM 22375 OH2 TIP3 7668 90.013 38.185 12.716 1.00 0.00 WT1 O ATOM 22376 H1 TIP3 7668 89.449 38.383 11.968 1.00 0.00 WT1 H ATOM 22377 H2 TIP3 7668 90.129 37.235 12.683 1.00 0.00 WT1 H ATOM 22378 OH2 TIP3 7669 33.022 14.402 0.047 1.00 0.00 WT1 O ATOM 22379 H1 TIP3 7669 33.702 13.754 0.234 1.00 0.00 WT1 H ATOM 22380 H2 TIP3 7669 33.338 15.206 0.459 1.00 0.00 WT1 H ATOM 22381 OH2 TIP3 7670 79.593 94.773 38.294 1.00 0.00 WT1 O ATOM 22382 H1 TIP3 7670 80.256 94.083 38.335 1.00 0.00 WT1 H ATOM 22383 H2 TIP3 7670 78.906 94.413 37.733 1.00 0.00 WT1 H ATOM 22384 OH2 TIP3 7671 24.062 11.346 61.742 1.00 0.00 WT1 O ATOM 22385 H1 TIP3 7671 24.572 10.594 62.042 1.00 0.00 WT1 H ATOM 22386 H2 TIP3 7671 23.962 11.894 62.520 1.00 0.00 WT1 H ATOM 22387 OH2 TIP3 7672 33.691 23.015 -7.762 1.00 0.00 WT1 O ATOM 22388 H1 TIP3 7672 34.083 23.345 -6.954 1.00 0.00 WT1 H ATOM 22389 H2 TIP3 7672 34.439 22.787 -8.315 1.00 0.00 WT1 H ATOM 22390 OH2 TIP3 7673 37.277 61.770 -17.708 1.00 0.00 WT1 O ATOM 22391 H1 TIP3 7673 37.397 61.893 -18.649 1.00 0.00 WT1 H ATOM 22392 H2 TIP3 7673 37.365 62.648 -17.337 1.00 0.00 WT1 H ATOM 22393 OH2 TIP3 7674 75.338 52.746 30.936 1.00 0.00 WT1 O ATOM 22394 H1 TIP3 7674 75.564 53.670 31.041 1.00 0.00 WT1 H ATOM 22395 H2 TIP3 7674 75.910 52.288 31.553 1.00 0.00 WT1 H ATOM 22396 OH2 TIP3 7675 61.702 22.583 -10.833 1.00 0.00 WT1 O ATOM 22397 H1 TIP3 7675 60.887 22.234 -11.194 1.00 0.00 WT1 H ATOM 22398 H2 TIP3 7675 61.638 22.417 -9.892 1.00 0.00 WT1 H ATOM 22399 OH2 TIP3 7676 30.236 61.337 33.823 1.00 0.00 WT1 O ATOM 22400 H1 TIP3 7676 30.827 61.987 33.443 1.00 0.00 WT1 H ATOM 22401 H2 TIP3 7676 30.742 60.938 34.531 1.00 0.00 WT1 H ATOM 22402 OH2 TIP3 7677 21.019 21.758 5.515 1.00 0.00 WT1 O ATOM 22403 H1 TIP3 7677 21.294 20.841 5.478 1.00 0.00 WT1 H ATOM 22404 H2 TIP3 7677 21.623 22.164 6.138 1.00 0.00 WT1 H ATOM 22405 OH2 TIP3 7678 77.768 24.466 12.882 1.00 0.00 WT1 O ATOM 22406 H1 TIP3 7678 77.337 24.747 12.074 1.00 0.00 WT1 H ATOM 22407 H2 TIP3 7678 77.154 24.706 13.577 1.00 0.00 WT1 H ATOM 22408 OH2 TIP3 7679 33.291 63.919 35.165 1.00 0.00 WT1 O ATOM 22409 H1 TIP3 7679 33.735 63.105 34.929 1.00 0.00 WT1 H ATOM 22410 H2 TIP3 7679 33.144 63.848 36.109 1.00 0.00 WT1 H ATOM 22411 OH2 TIP3 7680 70.756 25.866 51.449 1.00 0.00 WT1 O ATOM 22412 H1 TIP3 7680 70.958 26.739 51.785 1.00 0.00 WT1 H ATOM 22413 H2 TIP3 7680 70.722 25.311 52.229 1.00 0.00 WT1 H ATOM 22414 OH2 TIP3 7681 24.464 85.514 -0.585 1.00 0.00 WT1 O ATOM 22415 H1 TIP3 7681 25.059 84.791 -0.784 1.00 0.00 WT1 H ATOM 22416 H2 TIP3 7681 24.309 85.445 0.357 1.00 0.00 WT1 H ATOM 22417 OH2 TIP3 7682 20.731 4.652 10.154 1.00 0.00 WT1 O ATOM 22418 H1 TIP3 7682 21.637 4.954 10.219 1.00 0.00 WT1 H ATOM 22419 H2 TIP3 7682 20.795 3.697 10.157 1.00 0.00 WT1 H ATOM 22420 OH2 TIP3 7683 85.735 19.213 -12.642 1.00 0.00 WT1 O ATOM 22421 H1 TIP3 7683 86.459 19.043 -12.040 1.00 0.00 WT1 H ATOM 22422 H2 TIP3 7683 84.966 19.290 -12.076 1.00 0.00 WT1 H ATOM 22423 OH2 TIP3 7684 85.482 7.695 64.834 1.00 0.00 WT1 O ATOM 22424 H1 TIP3 7684 85.894 8.500 64.520 1.00 0.00 WT1 H ATOM 22425 H2 TIP3 7684 84.562 7.784 64.585 1.00 0.00 WT1 H ATOM 22426 OH2 TIP3 7685 68.615 93.010 40.883 1.00 0.00 WT1 O ATOM 22427 H1 TIP3 7685 68.959 92.778 41.745 1.00 0.00 WT1 H ATOM 22428 H2 TIP3 7685 68.594 92.182 40.402 1.00 0.00 WT1 H ATOM 22429 OH2 TIP3 7686 73.047 69.745 11.181 1.00 0.00 WT1 O ATOM 22430 H1 TIP3 7686 72.448 69.170 10.705 1.00 0.00 WT1 H ATOM 22431 H2 TIP3 7686 72.825 70.626 10.878 1.00 0.00 WT1 H ATOM 22432 OH2 TIP3 7687 47.670 28.773 3.715 1.00 0.00 WT1 O ATOM 22433 H1 TIP3 7687 47.653 29.194 4.574 1.00 0.00 WT1 H ATOM 22434 H2 TIP3 7687 48.437 28.200 3.744 1.00 0.00 WT1 H ATOM 22435 OH2 TIP3 7688 42.525 48.584 -7.636 1.00 0.00 WT1 O ATOM 22436 H1 TIP3 7688 41.928 49.321 -7.506 1.00 0.00 WT1 H ATOM 22437 H2 TIP3 7688 42.676 48.239 -6.756 1.00 0.00 WT1 H ATOM 22438 OH2 TIP3 7689 37.018 63.634 53.434 1.00 0.00 WT1 O ATOM 22439 H1 TIP3 7689 36.611 63.735 52.574 1.00 0.00 WT1 H ATOM 22440 H2 TIP3 7689 36.814 64.448 53.894 1.00 0.00 WT1 H ATOM 22441 OH2 TIP3 7690 26.149 29.390 62.483 1.00 0.00 WT1 O ATOM 22442 H1 TIP3 7690 25.418 29.778 62.964 1.00 0.00 WT1 H ATOM 22443 H2 TIP3 7690 26.422 30.073 61.871 1.00 0.00 WT1 H ATOM 22444 OH2 TIP3 7691 66.522 16.702 20.329 1.00 0.00 WT1 O ATOM 22445 H1 TIP3 7691 66.611 16.009 20.982 1.00 0.00 WT1 H ATOM 22446 H2 TIP3 7691 67.414 16.859 20.021 1.00 0.00 WT1 H ATOM 22447 OH2 TIP3 7692 72.016 85.697 56.519 1.00 0.00 WT1 O ATOM 22448 H1 TIP3 7692 71.575 86.499 56.239 1.00 0.00 WT1 H ATOM 22449 H2 TIP3 7692 72.317 85.293 55.705 1.00 0.00 WT1 H ATOM 22450 OH2 TIP3 7693 65.105 44.980 24.566 1.00 0.00 WT1 O ATOM 22451 H1 TIP3 7693 65.400 45.822 24.220 1.00 0.00 WT1 H ATOM 22452 H2 TIP3 7693 64.859 45.166 25.472 1.00 0.00 WT1 H ATOM 22453 OH2 TIP3 7694 74.873 13.949 11.236 1.00 0.00 WT1 O ATOM 22454 H1 TIP3 7694 75.575 14.290 11.789 1.00 0.00 WT1 H ATOM 22455 H2 TIP3 7694 74.364 14.722 10.990 1.00 0.00 WT1 H ATOM 22456 OH2 TIP3 7695 36.834 0.473 -18.768 1.00 0.00 WT1 O ATOM 22457 H1 TIP3 7695 37.599 0.772 -18.277 1.00 0.00 WT1 H ATOM 22458 H2 TIP3 7695 36.086 0.771 -18.252 1.00 0.00 WT1 H ATOM 22459 OH2 TIP3 7696 36.644 19.412 37.508 1.00 0.00 WT1 O ATOM 22460 H1 TIP3 7696 37.448 18.894 37.547 1.00 0.00 WT1 H ATOM 22461 H2 TIP3 7696 35.943 18.763 37.440 1.00 0.00 WT1 H ATOM 22462 OH2 TIP3 7697 71.432 63.918 8.369 1.00 0.00 WT1 O ATOM 22463 H1 TIP3 7697 72.090 63.548 8.957 1.00 0.00 WT1 H ATOM 22464 H2 TIP3 7697 70.938 63.160 8.054 1.00 0.00 WT1 H ATOM 22465 OH2 TIP3 7698 42.507 62.074 5.066 1.00 0.00 WT1 O ATOM 22466 H1 TIP3 7698 42.515 61.590 5.892 1.00 0.00 WT1 H ATOM 22467 H2 TIP3 7698 42.121 62.921 5.288 1.00 0.00 WT1 H ATOM 22468 OH2 TIP3 7699 25.100 41.304 6.928 1.00 0.00 WT1 O ATOM 22469 H1 TIP3 7699 25.152 42.249 6.786 1.00 0.00 WT1 H ATOM 22470 H2 TIP3 7699 24.402 41.012 6.341 1.00 0.00 WT1 H ATOM 22471 OH2 TIP3 7700 71.259 1.591 42.530 1.00 0.00 WT1 O ATOM 22472 H1 TIP3 7700 70.432 1.942 42.861 1.00 0.00 WT1 H ATOM 22473 H2 TIP3 7700 71.001 0.978 41.841 1.00 0.00 WT1 H ATOM 22474 OH2 TIP3 7701 76.813 36.939 27.716 1.00 0.00 WT1 O ATOM 22475 H1 TIP3 7701 77.505 37.484 27.342 1.00 0.00 WT1 H ATOM 22476 H2 TIP3 7701 76.811 36.149 27.175 1.00 0.00 WT1 H ATOM 22477 OH2 TIP3 7703 38.299 57.363 40.519 1.00 0.00 WT1 O ATOM 22478 H1 TIP3 7703 38.749 57.924 41.151 1.00 0.00 WT1 H ATOM 22479 H2 TIP3 7703 38.479 57.767 39.670 1.00 0.00 WT1 H ATOM 22480 OH2 TIP3 7704 34.588 79.029 36.364 1.00 0.00 WT1 O ATOM 22481 H1 TIP3 7704 33.982 78.900 35.634 1.00 0.00 WT1 H ATOM 22482 H2 TIP3 7704 34.297 79.842 36.777 1.00 0.00 WT1 H ATOM 22483 OH2 TIP3 7705 70.194 13.218 -15.728 1.00 0.00 WT1 O ATOM 22484 H1 TIP3 7705 69.853 13.536 -16.564 1.00 0.00 WT1 H ATOM 22485 H2 TIP3 7705 71.045 13.648 -15.637 1.00 0.00 WT1 H ATOM 22486 OH2 TIP3 7706 56.350 21.910 36.323 1.00 0.00 WT1 O ATOM 22487 H1 TIP3 7706 56.344 21.993 35.370 1.00 0.00 WT1 H ATOM 22488 H2 TIP3 7706 56.096 22.776 36.641 1.00 0.00 WT1 H ATOM 22489 OH2 TIP3 7707 80.508 12.912 -12.615 1.00 0.00 WT1 O ATOM 22490 H1 TIP3 7707 80.834 12.154 -13.101 1.00 0.00 WT1 H ATOM 22491 H2 TIP3 7707 80.094 12.537 -11.837 1.00 0.00 WT1 H ATOM 22492 OH2 TIP3 7708 54.095 90.784 3.329 1.00 0.00 WT1 O ATOM 22493 H1 TIP3 7708 54.874 91.119 2.884 1.00 0.00 WT1 H ATOM 22494 H2 TIP3 7708 54.438 90.285 4.071 1.00 0.00 WT1 H ATOM 22495 OH2 TIP3 7709 45.653 13.807 14.735 1.00 0.00 WT1 O ATOM 22496 H1 TIP3 7709 45.106 14.590 14.677 1.00 0.00 WT1 H ATOM 22497 H2 TIP3 7709 46.519 14.135 14.977 1.00 0.00 WT1 H ATOM 22498 OH2 TIP3 7710 34.495 95.798 25.886 1.00 0.00 WT1 O ATOM 22499 H1 TIP3 7710 34.097 96.593 25.532 1.00 0.00 WT1 H ATOM 22500 H2 TIP3 7710 35.415 96.027 26.015 1.00 0.00 WT1 H ATOM 22501 OH2 TIP3 7711 29.020 74.735 43.952 1.00 0.00 WT1 O ATOM 22502 H1 TIP3 7711 29.363 73.841 43.962 1.00 0.00 WT1 H ATOM 22503 H2 TIP3 7711 28.117 74.643 43.648 1.00 0.00 WT1 H ATOM 22504 OH2 TIP3 7712 71.012 20.772 60.018 1.00 0.00 WT1 O ATOM 22505 H1 TIP3 7712 70.270 21.142 60.496 1.00 0.00 WT1 H ATOM 22506 H2 TIP3 7712 71.528 20.322 60.687 1.00 0.00 WT1 H ATOM 22507 OH2 TIP3 7713 79.475 64.028 44.863 1.00 0.00 WT1 O ATOM 22508 H1 TIP3 7713 78.935 64.226 44.098 1.00 0.00 WT1 H ATOM 22509 H2 TIP3 7713 79.410 63.078 44.963 1.00 0.00 WT1 H ATOM 22510 OH2 TIP3 7714 49.499 3.611 7.247 1.00 0.00 WT1 O ATOM 22511 H1 TIP3 7714 48.623 3.353 7.533 1.00 0.00 WT1 H ATOM 22512 H2 TIP3 7714 49.690 3.034 6.507 1.00 0.00 WT1 H ATOM 22513 OH2 TIP3 7715 73.470 8.754 1.531 1.00 0.00 WT1 O ATOM 22514 H1 TIP3 7715 74.139 8.073 1.599 1.00 0.00 WT1 H ATOM 22515 H2 TIP3 7715 72.708 8.388 1.978 1.00 0.00 WT1 H ATOM 22516 OH2 TIP3 7716 73.777 87.375 37.913 1.00 0.00 WT1 O ATOM 22517 H1 TIP3 7716 72.845 87.282 37.718 1.00 0.00 WT1 H ATOM 22518 H2 TIP3 7716 73.803 87.725 38.803 1.00 0.00 WT1 H ATOM 22519 OH2 TIP3 7717 76.955 41.902 30.811 1.00 0.00 WT1 O ATOM 22520 H1 TIP3 7717 76.844 42.616 31.440 1.00 0.00 WT1 H ATOM 22521 H2 TIP3 7717 77.278 42.330 30.018 1.00 0.00 WT1 H ATOM 22522 OH2 TIP3 7718 28.418 17.458 -18.604 1.00 0.00 WT1 O ATOM 22523 H1 TIP3 7718 27.876 16.694 -18.406 1.00 0.00 WT1 H ATOM 22524 H2 TIP3 7718 27.793 18.179 -18.687 1.00 0.00 WT1 H ATOM 22525 OH2 TIP3 7719 84.454 83.387 6.383 1.00 0.00 WT1 O ATOM 22526 H1 TIP3 7719 84.494 82.469 6.652 1.00 0.00 WT1 H ATOM 22527 H2 TIP3 7719 83.712 83.747 6.868 1.00 0.00 WT1 H ATOM 22528 OH2 TIP3 7720 85.416 35.783 47.173 1.00 0.00 WT1 O ATOM 22529 H1 TIP3 7720 84.975 36.137 47.946 1.00 0.00 WT1 H ATOM 22530 H2 TIP3 7720 86.262 36.232 47.154 1.00 0.00 WT1 H ATOM 22531 OH2 TIP3 7721 66.337 44.162 13.237 1.00 0.00 WT1 O ATOM 22532 H1 TIP3 7721 65.679 44.157 13.932 1.00 0.00 WT1 H ATOM 22533 H2 TIP3 7721 66.597 43.245 13.146 1.00 0.00 WT1 H ATOM 22534 OH2 TIP3 7722 41.342 9.935 65.862 1.00 0.00 WT1 O ATOM 22535 H1 TIP3 7722 41.233 10.783 65.431 1.00 0.00 WT1 H ATOM 22536 H2 TIP3 7722 42.208 9.980 66.267 1.00 0.00 WT1 H ATOM 22537 OH2 TIP3 7723 37.254 9.170 -16.082 1.00 0.00 WT1 O ATOM 22538 H1 TIP3 7723 36.541 9.284 -16.710 1.00 0.00 WT1 H ATOM 22539 H2 TIP3 7723 37.886 8.611 -16.534 1.00 0.00 WT1 H ATOM 22540 OH2 TIP3 7724 22.761 66.709 14.508 1.00 0.00 WT1 O ATOM 22541 H1 TIP3 7724 22.543 66.232 13.708 1.00 0.00 WT1 H ATOM 22542 H2 TIP3 7724 22.892 66.027 15.166 1.00 0.00 WT1 H ATOM 22543 OH2 TIP3 7725 79.183 53.345 10.514 1.00 0.00 WT1 O ATOM 22544 H1 TIP3 7725 79.542 53.112 11.370 1.00 0.00 WT1 H ATOM 22545 H2 TIP3 7725 78.234 53.310 10.634 1.00 0.00 WT1 H ATOM 22546 OH2 TIP3 7726 75.681 69.543 51.207 1.00 0.00 WT1 O ATOM 22547 H1 TIP3 7726 75.416 69.650 50.293 1.00 0.00 WT1 H ATOM 22548 H2 TIP3 7726 75.606 68.603 51.370 1.00 0.00 WT1 H ATOM 22549 OH2 TIP3 7727 67.688 54.969 32.398 1.00 0.00 WT1 O ATOM 22550 H1 TIP3 7727 67.396 55.159 31.507 1.00 0.00 WT1 H ATOM 22551 H2 TIP3 7727 66.962 54.482 32.789 1.00 0.00 WT1 H ATOM 22552 OH2 TIP3 7728 74.242 52.298 28.452 1.00 0.00 WT1 O ATOM 22553 H1 TIP3 7728 74.548 52.220 29.356 1.00 0.00 WT1 H ATOM 22554 H2 TIP3 7728 73.648 53.049 28.464 1.00 0.00 WT1 H ATOM 22555 OH2 TIP3 7729 53.586 9.725 64.795 1.00 0.00 WT1 O ATOM 22556 H1 TIP3 7729 54.435 9.652 64.359 1.00 0.00 WT1 H ATOM 22557 H2 TIP3 7729 53.220 8.841 64.756 1.00 0.00 WT1 H ATOM 22558 OH2 TIP3 7730 59.083 34.908 56.605 1.00 0.00 WT1 O ATOM 22559 H1 TIP3 7730 59.570 35.722 56.481 1.00 0.00 WT1 H ATOM 22560 H2 TIP3 7730 58.198 35.108 56.299 1.00 0.00 WT1 H ATOM 22561 OH2 TIP3 7731 26.034 69.976 33.323 1.00 0.00 WT1 O ATOM 22562 H1 TIP3 7731 26.256 69.186 32.830 1.00 0.00 WT1 H ATOM 22563 H2 TIP3 7731 26.291 70.697 32.750 1.00 0.00 WT1 H ATOM 22564 OH2 TIP3 7732 71.860 24.100 59.506 1.00 0.00 WT1 O ATOM 22565 H1 TIP3 7732 72.242 23.225 59.575 1.00 0.00 WT1 H ATOM 22566 H2 TIP3 7732 71.895 24.305 58.572 1.00 0.00 WT1 H ATOM 22567 OH2 TIP3 7733 66.664 84.971 -0.411 1.00 0.00 WT1 O ATOM 22568 H1 TIP3 7733 67.181 84.833 -1.205 1.00 0.00 WT1 H ATOM 22569 H2 TIP3 7733 67.280 84.823 0.306 1.00 0.00 WT1 H ATOM 22570 OH2 TIP3 7734 90.114 31.639 17.197 1.00 0.00 WT1 O ATOM 22571 H1 TIP3 7734 89.488 31.574 16.476 1.00 0.00 WT1 H ATOM 22572 H2 TIP3 7734 90.178 32.577 17.376 1.00 0.00 WT1 H ATOM 22573 OH2 TIP3 7735 65.765 92.586 52.928 1.00 0.00 WT1 O ATOM 22574 H1 TIP3 7735 66.571 92.258 52.529 1.00 0.00 WT1 H ATOM 22575 H2 TIP3 7735 65.998 92.745 53.843 1.00 0.00 WT1 H ATOM 22576 OH2 TIP3 7736 34.128 43.514 -8.633 1.00 0.00 WT1 O ATOM 22577 H1 TIP3 7736 33.401 44.089 -8.393 1.00 0.00 WT1 H ATOM 22578 H2 TIP3 7736 34.912 43.999 -8.377 1.00 0.00 WT1 H ATOM 22579 OH2 TIP3 7737 69.796 34.713 -11.103 1.00 0.00 WT1 O ATOM 22580 H1 TIP3 7737 70.679 34.922 -10.800 1.00 0.00 WT1 H ATOM 22581 H2 TIP3 7737 69.627 33.834 -10.763 1.00 0.00 WT1 H ATOM 22582 OH2 TIP3 7738 62.933 90.374 46.130 1.00 0.00 WT1 O ATOM 22583 H1 TIP3 7738 61.985 90.291 46.241 1.00 0.00 WT1 H ATOM 22584 H2 TIP3 7738 63.199 91.004 46.799 1.00 0.00 WT1 H ATOM 22585 OH2 TIP3 7739 36.720 15.652 -0.301 1.00 0.00 WT1 O ATOM 22586 H1 TIP3 7739 36.373 14.763 -0.369 1.00 0.00 WT1 H ATOM 22587 H2 TIP3 7739 36.123 16.097 0.300 1.00 0.00 WT1 H ATOM 22588 OH2 TIP3 7740 48.569 48.699 9.788 1.00 0.00 WT1 O ATOM 22589 H1 TIP3 7740 48.975 47.901 9.449 1.00 0.00 WT1 H ATOM 22590 H2 TIP3 7740 49.239 49.089 10.349 1.00 0.00 WT1 H ATOM 22591 OH2 TIP3 7741 84.971 31.990 4.331 1.00 0.00 WT1 O ATOM 22592 H1 TIP3 7741 85.498 31.200 4.447 1.00 0.00 WT1 H ATOM 22593 H2 TIP3 7741 85.095 32.482 5.143 1.00 0.00 WT1 H ATOM 22594 OH2 TIP3 7742 82.463 93.854 40.112 1.00 0.00 WT1 O ATOM 22595 H1 TIP3 7742 82.887 93.511 40.899 1.00 0.00 WT1 H ATOM 22596 H2 TIP3 7742 82.468 93.120 39.498 1.00 0.00 WT1 H ATOM 22597 OH2 TIP3 7743 72.834 3.298 -5.906 1.00 0.00 WT1 O ATOM 22598 H1 TIP3 7743 71.993 3.329 -5.449 1.00 0.00 WT1 H ATOM 22599 H2 TIP3 7743 72.787 4.012 -6.542 1.00 0.00 WT1 H ATOM 22600 OH2 TIP3 7744 60.677 25.821 18.052 1.00 0.00 WT1 O ATOM 22601 H1 TIP3 7744 60.860 26.585 18.599 1.00 0.00 WT1 H ATOM 22602 H2 TIP3 7744 60.103 26.152 17.361 1.00 0.00 WT1 H ATOM 22603 OH2 TIP3 7745 67.059 24.444 52.722 1.00 0.00 WT1 O ATOM 22604 H1 TIP3 7745 66.559 25.255 52.811 1.00 0.00 WT1 H ATOM 22605 H2 TIP3 7745 67.309 24.417 51.798 1.00 0.00 WT1 H ATOM 22606 OH2 TIP3 7746 71.478 24.664 2.598 1.00 0.00 WT1 O ATOM 22607 H1 TIP3 7746 70.785 25.065 2.072 1.00 0.00 WT1 H ATOM 22608 H2 TIP3 7746 72.019 25.400 2.882 1.00 0.00 WT1 H ATOM 22609 OH2 TIP3 7747 83.989 53.400 13.581 1.00 0.00 WT1 O ATOM 22610 H1 TIP3 7747 83.807 54.304 13.324 1.00 0.00 WT1 H ATOM 22611 H2 TIP3 7747 84.763 53.461 14.141 1.00 0.00 WT1 H ATOM 22612 OH2 TIP3 7748 44.093 22.915 43.644 1.00 0.00 WT1 O ATOM 22613 H1 TIP3 7748 44.746 23.292 44.234 1.00 0.00 WT1 H ATOM 22614 H2 TIP3 7748 43.486 23.635 43.467 1.00 0.00 WT1 H ATOM 22615 OH2 TIP3 7750 62.084 15.267 47.647 1.00 0.00 WT1 O ATOM 22616 H1 TIP3 7750 61.839 15.957 47.031 1.00 0.00 WT1 H ATOM 22617 H2 TIP3 7750 62.994 15.458 47.873 1.00 0.00 WT1 H ATOM 22618 OH2 TIP3 7751 37.036 45.700 3.982 1.00 0.00 WT1 O ATOM 22619 H1 TIP3 7751 36.289 45.937 3.433 1.00 0.00 WT1 H ATOM 22620 H2 TIP3 7751 36.890 44.779 4.202 1.00 0.00 WT1 H ATOM 22621 OH2 TIP3 7752 24.833 47.985 10.636 1.00 0.00 WT1 O ATOM 22622 H1 TIP3 7752 24.862 47.307 11.311 1.00 0.00 WT1 H ATOM 22623 H2 TIP3 7752 25.736 48.297 10.571 1.00 0.00 WT1 H ATOM 22624 OH2 TIP3 7753 85.469 53.033 43.948 1.00 0.00 WT1 O ATOM 22625 H1 TIP3 7753 85.324 53.916 44.286 1.00 0.00 WT1 H ATOM 22626 H2 TIP3 7753 85.573 52.490 44.730 1.00 0.00 WT1 H ATOM 22627 OH2 TIP3 7754 88.752 40.367 25.456 1.00 0.00 WT1 O ATOM 22628 H1 TIP3 7754 89.044 41.219 25.132 1.00 0.00 WT1 H ATOM 22629 H2 TIP3 7754 88.092 40.083 24.824 1.00 0.00 WT1 H ATOM 22630 OH2 TIP3 7755 53.707 82.161 54.999 1.00 0.00 WT1 O ATOM 22631 H1 TIP3 7755 53.415 82.678 55.750 1.00 0.00 WT1 H ATOM 22632 H2 TIP3 7755 52.961 82.165 54.400 1.00 0.00 WT1 H ATOM 22633 OH2 TIP3 7757 85.676 95.689 52.641 1.00 0.00 WT1 O ATOM 22634 H1 TIP3 7757 84.951 96.287 52.463 1.00 0.00 WT1 H ATOM 22635 H2 TIP3 7757 85.809 95.748 53.588 1.00 0.00 WT1 H ATOM 22636 OH2 TIP3 7758 67.700 48.892 6.487 1.00 0.00 WT1 O ATOM 22637 H1 TIP3 7758 66.999 48.292 6.232 1.00 0.00 WT1 H ATOM 22638 H2 TIP3 7758 67.444 49.205 7.355 1.00 0.00 WT1 H ATOM 22639 OH2 TIP3 7759 67.498 83.408 1.835 1.00 0.00 WT1 O ATOM 22640 H1 TIP3 7759 66.875 82.745 1.540 1.00 0.00 WT1 H ATOM 22641 H2 TIP3 7759 68.148 83.456 1.134 1.00 0.00 WT1 H ATOM 22642 OH2 TIP3 7760 63.115 5.438 -16.561 1.00 0.00 WT1 O ATOM 22643 H1 TIP3 7760 62.814 4.747 -17.152 1.00 0.00 WT1 H ATOM 22644 H2 TIP3 7760 63.200 5.007 -15.711 1.00 0.00 WT1 H ATOM 22645 OH2 TIP3 7761 33.507 31.269 51.444 1.00 0.00 WT1 O ATOM 22646 H1 TIP3 7761 32.645 31.503 51.098 1.00 0.00 WT1 H ATOM 22647 H2 TIP3 7761 33.419 30.352 51.706 1.00 0.00 WT1 H ATOM 22648 OH2 TIP3 7763 39.789 41.560 10.937 1.00 0.00 WT1 O ATOM 22649 H1 TIP3 7763 39.887 42.445 10.585 1.00 0.00 WT1 H ATOM 22650 H2 TIP3 7763 40.667 41.320 11.232 1.00 0.00 WT1 H ATOM 22651 OH2 TIP3 7764 50.252 35.836 39.650 1.00 0.00 WT1 O ATOM 22652 H1 TIP3 7764 50.380 36.210 38.778 1.00 0.00 WT1 H ATOM 22653 H2 TIP3 7764 51.033 35.304 39.801 1.00 0.00 WT1 H ATOM 22654 OH2 TIP3 7765 82.034 89.587 31.526 1.00 0.00 WT1 O ATOM 22655 H1 TIP3 7765 82.757 89.363 30.940 1.00 0.00 WT1 H ATOM 22656 H2 TIP3 7765 81.962 90.539 31.465 1.00 0.00 WT1 H ATOM 22657 OH2 TIP3 7767 26.678 61.606 31.306 1.00 0.00 WT1 O ATOM 22658 H1 TIP3 7767 27.605 61.369 31.348 1.00 0.00 WT1 H ATOM 22659 H2 TIP3 7767 26.555 61.936 30.416 1.00 0.00 WT1 H ATOM 22660 OH2 TIP3 7768 25.469 79.802 59.346 1.00 0.00 WT1 O ATOM 22661 H1 TIP3 7768 25.857 78.956 59.123 1.00 0.00 WT1 H ATOM 22662 H2 TIP3 7768 24.797 79.942 58.678 1.00 0.00 WT1 H ATOM 22663 OH2 TIP3 7769 56.796 24.887 9.293 1.00 0.00 WT1 O ATOM 22664 H1 TIP3 7769 57.399 25.194 8.617 1.00 0.00 WT1 H ATOM 22665 H2 TIP3 7769 56.411 25.686 9.652 1.00 0.00 WT1 H ATOM 22666 OH2 TIP3 7770 31.889 41.552 52.660 1.00 0.00 WT1 O ATOM 22667 H1 TIP3 7770 32.449 42.301 52.863 1.00 0.00 WT1 H ATOM 22668 H2 TIP3 7770 32.495 40.876 52.357 1.00 0.00 WT1 H ATOM 22669 OH2 TIP3 7771 41.875 45.209 -8.419 1.00 0.00 WT1 O ATOM 22670 H1 TIP3 7771 41.650 45.987 -8.930 1.00 0.00 WT1 H ATOM 22671 H2 TIP3 7771 41.906 45.518 -7.513 1.00 0.00 WT1 H ATOM 22672 OH2 TIP3 7772 58.530 33.270 31.855 1.00 0.00 WT1 O ATOM 22673 H1 TIP3 7772 57.801 33.425 32.455 1.00 0.00 WT1 H ATOM 22674 H2 TIP3 7772 58.199 33.543 31.000 1.00 0.00 WT1 H ATOM 22675 OH2 TIP3 7773 42.291 89.612 38.988 1.00 0.00 WT1 O ATOM 22676 H1 TIP3 7773 42.331 90.450 38.527 1.00 0.00 WT1 H ATOM 22677 H2 TIP3 7773 43.113 89.569 39.478 1.00 0.00 WT1 H ATOM 22678 OH2 TIP3 7774 28.503 63.485 -16.194 1.00 0.00 WT1 O ATOM 22679 H1 TIP3 7774 29.255 63.737 -15.657 1.00 0.00 WT1 H ATOM 22680 H2 TIP3 7774 28.654 62.563 -16.400 1.00 0.00 WT1 H ATOM 22681 OH2 TIP3 7775 80.153 54.902 41.056 1.00 0.00 WT1 O ATOM 22682 H1 TIP3 7775 80.506 54.702 41.923 1.00 0.00 WT1 H ATOM 22683 H2 TIP3 7775 79.440 54.274 40.936 1.00 0.00 WT1 H ATOM 22684 OH2 TIP3 7776 71.714 18.755 -3.124 1.00 0.00 WT1 O ATOM 22685 H1 TIP3 7776 71.315 18.411 -2.325 1.00 0.00 WT1 H ATOM 22686 H2 TIP3 7776 72.552 19.118 -2.838 1.00 0.00 WT1 H ATOM 22687 OH2 TIP3 7777 62.591 53.763 -14.174 1.00 0.00 WT1 O ATOM 22688 H1 TIP3 7777 63.483 54.104 -14.230 1.00 0.00 WT1 H ATOM 22689 H2 TIP3 7777 62.692 52.814 -14.248 1.00 0.00 WT1 H ATOM 22690 OH2 TIP3 7778 75.634 24.268 6.692 1.00 0.00 WT1 O ATOM 22691 H1 TIP3 7778 75.433 23.335 6.617 1.00 0.00 WT1 H ATOM 22692 H2 TIP3 7778 74.778 24.694 6.739 1.00 0.00 WT1 H ATOM 22693 OH2 TIP3 7779 75.409 77.461 31.069 1.00 0.00 WT1 O ATOM 22694 H1 TIP3 7779 75.963 76.750 30.746 1.00 0.00 WT1 H ATOM 22695 H2 TIP3 7779 75.887 77.815 31.819 1.00 0.00 WT1 H ATOM 22696 OH2 TIP3 7780 43.448 7.629 4.734 1.00 0.00 WT1 O ATOM 22697 H1 TIP3 7780 44.293 8.046 4.564 1.00 0.00 WT1 H ATOM 22698 H2 TIP3 7780 43.144 8.027 5.550 1.00 0.00 WT1 H ATOM 22699 OH2 TIP3 7781 40.884 22.644 -0.660 1.00 0.00 WT1 O ATOM 22700 H1 TIP3 7781 39.985 22.727 -0.343 1.00 0.00 WT1 H ATOM 22701 H2 TIP3 7781 41.417 23.064 0.016 1.00 0.00 WT1 H ATOM 22702 OH2 TIP3 7782 65.618 86.976 30.560 1.00 0.00 WT1 O ATOM 22703 H1 TIP3 7782 65.101 87.115 31.353 1.00 0.00 WT1 H ATOM 22704 H2 TIP3 7782 65.040 86.480 29.981 1.00 0.00 WT1 H ATOM 22705 OH2 TIP3 7783 72.688 38.097 -10.274 1.00 0.00 WT1 O ATOM 22706 H1 TIP3 7783 72.478 38.748 -10.944 1.00 0.00 WT1 H ATOM 22707 H2 TIP3 7783 73.119 37.389 -10.753 1.00 0.00 WT1 H ATOM 22708 OH2 TIP3 7784 38.382 8.049 61.377 1.00 0.00 WT1 O ATOM 22709 H1 TIP3 7784 38.171 7.126 61.512 1.00 0.00 WT1 H ATOM 22710 H2 TIP3 7784 38.873 8.301 62.160 1.00 0.00 WT1 H ATOM 22711 OH2 TIP3 7785 66.133 14.219 36.023 1.00 0.00 WT1 O ATOM 22712 H1 TIP3 7785 65.903 14.996 35.514 1.00 0.00 WT1 H ATOM 22713 H2 TIP3 7785 65.854 13.483 35.477 1.00 0.00 WT1 H ATOM 22714 OH2 TIP3 7787 55.169 22.844 50.740 1.00 0.00 WT1 O ATOM 22715 H1 TIP3 7787 54.910 21.953 50.504 1.00 0.00 WT1 H ATOM 22716 H2 TIP3 7787 54.351 23.273 50.992 1.00 0.00 WT1 H ATOM 22717 OH2 TIP3 7788 85.538 3.169 -18.696 1.00 0.00 WT1 O ATOM 22718 H1 TIP3 7788 85.816 3.906 -19.241 1.00 0.00 WT1 H ATOM 22719 H2 TIP3 7788 86.317 2.617 -18.625 1.00 0.00 WT1 H ATOM 22720 OH2 TIP3 7789 71.920 67.225 17.345 1.00 0.00 WT1 O ATOM 22721 H1 TIP3 7789 71.044 66.996 17.657 1.00 0.00 WT1 H ATOM 22722 H2 TIP3 7789 72.444 67.307 18.142 1.00 0.00 WT1 H ATOM 22723 OH2 TIP3 7790 46.703 54.737 46.333 1.00 0.00 WT1 O ATOM 22724 H1 TIP3 7790 45.825 55.073 46.152 1.00 0.00 WT1 H ATOM 22725 H2 TIP3 7790 47.290 55.347 45.887 1.00 0.00 WT1 H ATOM 22726 OH2 TIP3 7791 27.175 66.655 56.943 1.00 0.00 WT1 O ATOM 22727 H1 TIP3 7791 27.054 67.235 56.191 1.00 0.00 WT1 H ATOM 22728 H2 TIP3 7791 27.850 66.037 56.663 1.00 0.00 WT1 H ATOM 22729 OH2 TIP3 7792 60.522 6.295 38.668 1.00 0.00 WT1 O ATOM 22730 H1 TIP3 7792 59.841 6.740 38.164 1.00 0.00 WT1 H ATOM 22731 H2 TIP3 7792 60.369 6.570 39.572 1.00 0.00 WT1 H ATOM 22732 OH2 TIP3 7793 35.942 66.995 2.463 1.00 0.00 WT1 O ATOM 22733 H1 TIP3 7793 35.451 67.207 3.257 1.00 0.00 WT1 H ATOM 22734 H2 TIP3 7793 36.235 66.093 2.596 1.00 0.00 WT1 H ATOM 22735 OH2 TIP3 7794 62.051 38.524 35.689 1.00 0.00 WT1 O ATOM 22736 H1 TIP3 7794 61.727 38.940 34.890 1.00 0.00 WT1 H ATOM 22737 H2 TIP3 7794 61.398 38.743 36.355 1.00 0.00 WT1 H ATOM 22738 OH2 TIP3 7796 20.089 16.444 50.679 1.00 0.00 WT1 O ATOM 22739 H1 TIP3 7796 21.036 16.584 50.688 1.00 0.00 WT1 H ATOM 22740 H2 TIP3 7796 19.914 16.043 49.828 1.00 0.00 WT1 H ATOM 22741 OH2 TIP3 7797 42.750 93.170 -5.960 1.00 0.00 WT1 O ATOM 22742 H1 TIP3 7797 42.583 92.235 -6.078 1.00 0.00 WT1 H ATOM 22743 H2 TIP3 7797 41.943 93.597 -6.247 1.00 0.00 WT1 H ATOM 22744 OH2 TIP3 7798 76.148 70.714 22.688 1.00 0.00 WT1 O ATOM 22745 H1 TIP3 7798 75.619 70.222 23.316 1.00 0.00 WT1 H ATOM 22746 H2 TIP3 7798 75.550 70.897 21.963 1.00 0.00 WT1 H ATOM 22747 OH2 TIP3 7799 46.158 46.463 65.667 1.00 0.00 WT1 O ATOM 22748 H1 TIP3 7799 46.188 45.748 65.031 1.00 0.00 WT1 H ATOM 22749 H2 TIP3 7799 46.952 46.351 66.190 1.00 0.00 WT1 H ATOM 22750 OH2 TIP3 7800 66.246 63.918 23.137 1.00 0.00 WT1 O ATOM 22751 H1 TIP3 7800 65.559 63.778 23.789 1.00 0.00 WT1 H ATOM 22752 H2 TIP3 7800 65.790 64.296 22.385 1.00 0.00 WT1 H ATOM 22753 OH2 TIP3 7801 69.250 62.895 36.667 1.00 0.00 WT1 O ATOM 22754 H1 TIP3 7801 68.716 62.358 37.253 1.00 0.00 WT1 H ATOM 22755 H2 TIP3 7801 69.560 62.286 35.997 1.00 0.00 WT1 H ATOM 22756 OH2 TIP3 7803 70.796 8.219 -12.162 1.00 0.00 WT1 O ATOM 22757 H1 TIP3 7803 71.215 9.026 -11.864 1.00 0.00 WT1 H ATOM 22758 H2 TIP3 7803 71.427 7.829 -12.766 1.00 0.00 WT1 H ATOM 22759 OH2 TIP3 7804 58.986 85.062 14.179 1.00 0.00 WT1 O ATOM 22760 H1 TIP3 7804 58.101 84.936 14.519 1.00 0.00 WT1 H ATOM 22761 H2 TIP3 7804 58.872 85.129 13.231 1.00 0.00 WT1 H ATOM 22762 OH2 TIP3 7805 27.613 85.497 49.088 1.00 0.00 WT1 O ATOM 22763 H1 TIP3 7805 27.542 84.790 48.448 1.00 0.00 WT1 H ATOM 22764 H2 TIP3 7805 26.981 86.153 48.793 1.00 0.00 WT1 H ATOM 22765 OH2 TIP3 7807 36.302 8.470 8.185 1.00 0.00 WT1 O ATOM 22766 H1 TIP3 7807 35.558 8.916 7.781 1.00 0.00 WT1 H ATOM 22767 H2 TIP3 7807 36.069 8.403 9.111 1.00 0.00 WT1 H ATOM 22768 OH2 TIP3 7808 49.846 32.263 12.696 1.00 0.00 WT1 O ATOM 22769 H1 TIP3 7808 49.707 31.657 13.424 1.00 0.00 WT1 H ATOM 22770 H2 TIP3 7808 49.944 31.699 11.929 1.00 0.00 WT1 H ATOM 22771 OH2 TIP3 7809 67.447 28.724 21.038 1.00 0.00 WT1 O ATOM 22772 H1 TIP3 7809 67.515 29.645 21.288 1.00 0.00 WT1 H ATOM 22773 H2 TIP3 7809 68.313 28.505 20.692 1.00 0.00 WT1 H ATOM 22774 OH2 TIP3 7810 71.214 90.143 15.767 1.00 0.00 WT1 O ATOM 22775 H1 TIP3 7810 71.451 90.728 16.487 1.00 0.00 WT1 H ATOM 22776 H2 TIP3 7810 71.997 89.613 15.620 1.00 0.00 WT1 H ATOM 22777 OH2 TIP3 7811 34.400 28.087 -18.921 1.00 0.00 WT1 O ATOM 22778 H1 TIP3 7811 34.138 27.298 -19.395 1.00 0.00 WT1 H ATOM 22779 H2 TIP3 7811 35.271 28.293 -19.259 1.00 0.00 WT1 H ATOM 22780 OH2 TIP3 7812 44.279 61.927 -19.597 1.00 0.00 WT1 O ATOM 22781 H1 TIP3 7812 44.838 62.661 -19.344 1.00 0.00 WT1 H ATOM 22782 H2 TIP3 7812 43.938 62.171 -20.458 1.00 0.00 WT1 H ATOM 22783 OH2 TIP3 7813 81.467 43.075 4.092 1.00 0.00 WT1 O ATOM 22784 H1 TIP3 7813 80.902 42.472 3.609 1.00 0.00 WT1 H ATOM 22785 H2 TIP3 7813 82.039 42.507 4.609 1.00 0.00 WT1 H ATOM 22786 OH2 TIP3 7814 42.200 29.966 58.317 1.00 0.00 WT1 O ATOM 22787 H1 TIP3 7814 41.298 29.856 58.621 1.00 0.00 WT1 H ATOM 22788 H2 TIP3 7814 42.384 30.896 58.446 1.00 0.00 WT1 H ATOM 22789 OH2 TIP3 7815 79.094 2.713 -16.030 1.00 0.00 WT1 O ATOM 22790 H1 TIP3 7815 78.663 1.914 -16.333 1.00 0.00 WT1 H ATOM 22791 H2 TIP3 7815 79.711 2.932 -16.728 1.00 0.00 WT1 H ATOM 22792 OH2 TIP3 7816 35.807 18.241 2.555 1.00 0.00 WT1 O ATOM 22793 H1 TIP3 7816 35.817 18.534 1.643 1.00 0.00 WT1 H ATOM 22794 H2 TIP3 7816 36.720 18.306 2.837 1.00 0.00 WT1 H ATOM 22795 OH2 TIP3 7817 84.223 45.433 25.704 1.00 0.00 WT1 O ATOM 22796 H1 TIP3 7817 84.998 45.772 26.152 1.00 0.00 WT1 H ATOM 22797 H2 TIP3 7817 84.559 44.737 25.138 1.00 0.00 WT1 H ATOM 22798 OH2 TIP3 7818 44.383 66.465 -15.605 1.00 0.00 WT1 O ATOM 22799 H1 TIP3 7818 43.441 66.633 -15.581 1.00 0.00 WT1 H ATOM 22800 H2 TIP3 7818 44.639 66.663 -16.506 1.00 0.00 WT1 H ATOM 22801 OH2 TIP3 7819 34.412 23.985 54.375 1.00 0.00 WT1 O ATOM 22802 H1 TIP3 7819 35.075 23.851 55.052 1.00 0.00 WT1 H ATOM 22803 H2 TIP3 7819 33.895 24.727 54.688 1.00 0.00 WT1 H ATOM 22804 OH2 TIP3 7820 47.712 75.252 -6.726 1.00 0.00 WT1 O ATOM 22805 H1 TIP3 7820 47.128 74.517 -6.916 1.00 0.00 WT1 H ATOM 22806 H2 TIP3 7820 48.231 74.959 -5.977 1.00 0.00 WT1 H ATOM 22807 OH2 TIP3 7821 29.999 44.987 10.872 1.00 0.00 WT1 O ATOM 22808 H1 TIP3 7821 30.428 44.148 10.706 1.00 0.00 WT1 H ATOM 22809 H2 TIP3 7821 29.316 44.786 11.511 1.00 0.00 WT1 H ATOM 22810 OH2 TIP3 7822 76.498 31.393 39.232 1.00 0.00 WT1 O ATOM 22811 H1 TIP3 7822 76.856 31.194 40.097 1.00 0.00 WT1 H ATOM 22812 H2 TIP3 7822 76.299 32.329 39.264 1.00 0.00 WT1 H ATOM 22813 OH2 TIP3 7823 81.312 63.555 26.026 1.00 0.00 WT1 O ATOM 22814 H1 TIP3 7823 81.760 63.936 26.781 1.00 0.00 WT1 H ATOM 22815 H2 TIP3 7823 81.985 63.039 25.582 1.00 0.00 WT1 H ATOM 22816 OH2 TIP3 7824 76.166 14.907 0.549 1.00 0.00 WT1 O ATOM 22817 H1 TIP3 7824 76.841 14.686 -0.093 1.00 0.00 WT1 H ATOM 22818 H2 TIP3 7824 75.441 15.250 0.027 1.00 0.00 WT1 H ATOM 22819 OH2 TIP3 7825 81.184 47.421 -8.838 1.00 0.00 WT1 O ATOM 22820 H1 TIP3 7825 81.528 46.924 -9.581 1.00 0.00 WT1 H ATOM 22821 H2 TIP3 7825 81.319 48.337 -9.079 1.00 0.00 WT1 H ATOM 22822 OH2 TIP3 7826 36.440 57.718 12.853 1.00 0.00 WT1 O ATOM 22823 H1 TIP3 7826 37.091 58.126 13.424 1.00 0.00 WT1 H ATOM 22824 H2 TIP3 7826 36.461 58.241 12.052 1.00 0.00 WT1 H ATOM 22825 OH2 TIP3 7827 22.705 7.767 58.295 1.00 0.00 WT1 O ATOM 22826 H1 TIP3 7827 21.792 7.923 58.053 1.00 0.00 WT1 H ATOM 22827 H2 TIP3 7827 23.033 7.171 57.622 1.00 0.00 WT1 H ATOM 22828 OH2 TIP3 7828 86.717 70.829 52.290 1.00 0.00 WT1 O ATOM 22829 H1 TIP3 7828 87.320 70.492 52.953 1.00 0.00 WT1 H ATOM 22830 H2 TIP3 7828 86.258 71.547 52.726 1.00 0.00 WT1 H ATOM 22831 OH2 TIP3 7829 77.721 47.554 38.320 1.00 0.00 WT1 O ATOM 22832 H1 TIP3 7829 78.053 48.446 38.219 1.00 0.00 WT1 H ATOM 22833 H2 TIP3 7829 76.909 47.655 38.817 1.00 0.00 WT1 H ATOM 22834 OH2 TIP3 7830 39.826 36.027 30.371 1.00 0.00 WT1 O ATOM 22835 H1 TIP3 7830 40.627 35.504 30.404 1.00 0.00 WT1 H ATOM 22836 H2 TIP3 7830 40.050 36.774 29.815 1.00 0.00 WT1 H ATOM 22837 OH2 TIP3 7831 53.362 47.411 18.378 1.00 0.00 WT1 O ATOM 22838 H1 TIP3 7831 53.338 48.346 18.583 1.00 0.00 WT1 H ATOM 22839 H2 TIP3 7831 52.589 47.050 18.810 1.00 0.00 WT1 H ATOM 22840 OH2 TIP3 7832 45.513 7.623 63.790 1.00 0.00 WT1 O ATOM 22841 H1 TIP3 7832 46.446 7.409 63.817 1.00 0.00 WT1 H ATOM 22842 H2 TIP3 7832 45.434 8.421 64.312 1.00 0.00 WT1 H ATOM 22843 OH2 TIP3 7833 62.457 51.611 1.781 1.00 0.00 WT1 O ATOM 22844 H1 TIP3 7833 61.676 52.163 1.779 1.00 0.00 WT1 H ATOM 22845 H2 TIP3 7833 62.797 51.679 2.674 1.00 0.00 WT1 H ATOM 22846 OH2 TIP3 7834 49.153 43.068 34.075 1.00 0.00 WT1 O ATOM 22847 H1 TIP3 7834 49.227 42.943 33.129 1.00 0.00 WT1 H ATOM 22848 H2 TIP3 7834 48.957 42.196 34.418 1.00 0.00 WT1 H ATOM 22849 OH2 TIP3 7835 62.264 25.846 -10.855 1.00 0.00 WT1 O ATOM 22850 H1 TIP3 7835 62.489 25.526 -9.981 1.00 0.00 WT1 H ATOM 22851 H2 TIP3 7835 61.308 25.893 -10.855 1.00 0.00 WT1 H ATOM 22852 OH2 TIP3 7836 78.565 52.567 0.224 1.00 0.00 WT1 O ATOM 22853 H1 TIP3 7836 78.581 53.356 -0.317 1.00 0.00 WT1 H ATOM 22854 H2 TIP3 7836 77.691 52.559 0.612 1.00 0.00 WT1 H ATOM 22855 OH2 TIP3 7837 28.035 85.691 1.433 1.00 0.00 WT1 O ATOM 22856 H1 TIP3 7837 27.602 84.919 1.068 1.00 0.00 WT1 H ATOM 22857 H2 TIP3 7837 28.859 85.358 1.789 1.00 0.00 WT1 H ATOM 22858 OH2 TIP3 7838 20.263 73.542 67.057 1.00 0.00 WT1 O ATOM 22859 H1 TIP3 7838 20.649 72.724 67.372 1.00 0.00 WT1 H ATOM 22860 H2 TIP3 7838 21.015 74.098 66.851 1.00 0.00 WT1 H ATOM 22861 OH2 TIP3 7839 28.973 34.863 46.687 1.00 0.00 WT1 O ATOM 22862 H1 TIP3 7839 28.523 35.532 46.171 1.00 0.00 WT1 H ATOM 22863 H2 TIP3 7839 29.210 34.188 46.051 1.00 0.00 WT1 H ATOM 22864 OH2 TIP3 7840 48.534 62.991 -8.219 1.00 0.00 WT1 O ATOM 22865 H1 TIP3 7840 47.736 62.911 -7.697 1.00 0.00 WT1 H ATOM 22866 H2 TIP3 7840 48.543 63.904 -8.506 1.00 0.00 WT1 H ATOM 22867 OH2 TIP3 7841 52.743 83.153 22.956 1.00 0.00 WT1 O ATOM 22868 H1 TIP3 7841 52.820 84.093 22.792 1.00 0.00 WT1 H ATOM 22869 H2 TIP3 7841 51.879 83.049 23.355 1.00 0.00 WT1 H ATOM 22870 OH2 TIP3 7842 32.596 0.753 19.987 1.00 0.00 WT1 O ATOM 22871 H1 TIP3 7842 32.533 0.824 19.035 1.00 0.00 WT1 H ATOM 22872 H2 TIP3 7842 33.267 1.391 20.232 1.00 0.00 WT1 H ATOM 22873 OH2 TIP3 7843 24.563 17.057 61.460 1.00 0.00 WT1 O ATOM 22874 H1 TIP3 7843 24.515 16.731 62.358 1.00 0.00 WT1 H ATOM 22875 H2 TIP3 7843 23.946 16.512 60.973 1.00 0.00 WT1 H ATOM 22876 OH2 TIP3 7844 78.297 50.542 19.658 1.00 0.00 WT1 O ATOM 22877 H1 TIP3 7844 77.445 50.744 20.046 1.00 0.00 WT1 H ATOM 22878 H2 TIP3 7844 78.704 51.397 19.515 1.00 0.00 WT1 H ATOM 22879 OH2 TIP3 7845 79.687 42.601 33.418 1.00 0.00 WT1 O ATOM 22880 H1 TIP3 7845 78.760 42.363 33.425 1.00 0.00 WT1 H ATOM 22881 H2 TIP3 7845 80.056 42.109 32.685 1.00 0.00 WT1 H ATOM 22882 OH2 TIP3 7846 73.232 38.572 48.648 1.00 0.00 WT1 O ATOM 22883 H1 TIP3 7846 72.517 38.427 49.268 1.00 0.00 WT1 H ATOM 22884 H2 TIP3 7846 74.001 38.719 49.198 1.00 0.00 WT1 H ATOM 22885 OH2 TIP3 7847 68.086 59.491 3.475 1.00 0.00 WT1 O ATOM 22886 H1 TIP3 7847 68.979 59.787 3.650 1.00 0.00 WT1 H ATOM 22887 H2 TIP3 7847 67.625 59.614 4.305 1.00 0.00 WT1 H ATOM 22888 OH2 TIP3 7849 80.393 27.556 -14.626 1.00 0.00 WT1 O ATOM 22889 H1 TIP3 7849 79.651 28.160 -14.618 1.00 0.00 WT1 H ATOM 22890 H2 TIP3 7849 80.726 27.595 -15.522 1.00 0.00 WT1 H ATOM 22891 OH2 TIP3 7850 75.268 57.142 34.080 1.00 0.00 WT1 O ATOM 22892 H1 TIP3 7850 74.504 57.532 33.655 1.00 0.00 WT1 H ATOM 22893 H2 TIP3 7850 75.961 57.793 33.971 1.00 0.00 WT1 H ATOM 22894 OH2 TIP3 7851 67.585 35.604 9.981 1.00 0.00 WT1 O ATOM 22895 H1 TIP3 7851 66.909 35.314 10.594 1.00 0.00 WT1 H ATOM 22896 H2 TIP3 7851 67.136 36.220 9.402 1.00 0.00 WT1 H ATOM 22897 OH2 TIP3 7852 75.210 38.788 -17.373 1.00 0.00 WT1 O ATOM 22898 H1 TIP3 7852 75.471 37.962 -17.779 1.00 0.00 WT1 H ATOM 22899 H2 TIP3 7852 75.452 38.691 -16.452 1.00 0.00 WT1 H ATOM 22900 OH2 TIP3 7853 83.350 13.142 55.829 1.00 0.00 WT1 O ATOM 22901 H1 TIP3 7853 82.594 13.681 56.063 1.00 0.00 WT1 H ATOM 22902 H2 TIP3 7853 83.271 13.017 54.883 1.00 0.00 WT1 H ATOM 22903 OH2 TIP3 7854 86.409 23.027 -18.772 1.00 0.00 WT1 O ATOM 22904 H1 TIP3 7854 86.759 23.740 -18.236 1.00 0.00 WT1 H ATOM 22905 H2 TIP3 7854 86.954 22.272 -18.552 1.00 0.00 WT1 H ATOM 22906 OH2 TIP3 7856 60.802 24.705 -0.953 1.00 0.00 WT1 O ATOM 22907 H1 TIP3 7856 61.478 24.107 -1.273 1.00 0.00 WT1 H ATOM 22908 H2 TIP3 7856 60.172 24.138 -0.507 1.00 0.00 WT1 H ATOM 22909 OH2 TIP3 7857 85.433 6.402 9.818 1.00 0.00 WT1 O ATOM 22910 H1 TIP3 7857 85.091 6.551 8.936 1.00 0.00 WT1 H ATOM 22911 H2 TIP3 7857 86.032 7.133 9.970 1.00 0.00 WT1 H ATOM 22912 OH2 TIP3 7858 23.627 96.144 -4.870 1.00 0.00 WT1 O ATOM 22913 H1 TIP3 7858 23.331 96.988 -4.527 1.00 0.00 WT1 H ATOM 22914 H2 TIP3 7858 22.882 95.557 -4.737 1.00 0.00 WT1 H ATOM 22915 OH2 TIP3 7859 34.137 32.896 -2.190 1.00 0.00 WT1 O ATOM 22916 H1 TIP3 7859 34.775 33.598 -2.311 1.00 0.00 WT1 H ATOM 22917 H2 TIP3 7859 34.620 32.209 -1.730 1.00 0.00 WT1 H ATOM 22918 OH2 TIP3 7860 87.004 27.838 30.262 1.00 0.00 WT1 O ATOM 22919 H1 TIP3 7860 87.818 27.916 30.760 1.00 0.00 WT1 H ATOM 22920 H2 TIP3 7860 87.142 28.383 29.488 1.00 0.00 WT1 H ATOM 22921 OH2 TIP3 7861 62.045 47.768 2.434 1.00 0.00 WT1 O ATOM 22922 H1 TIP3 7861 61.436 47.078 2.697 1.00 0.00 WT1 H ATOM 22923 H2 TIP3 7861 62.360 48.138 3.259 1.00 0.00 WT1 H ATOM 22924 OH2 TIP3 7862 75.718 57.491 10.187 1.00 0.00 WT1 O ATOM 22925 H1 TIP3 7862 75.556 58.434 10.153 1.00 0.00 WT1 H ATOM 22926 H2 TIP3 7862 75.115 57.167 10.855 1.00 0.00 WT1 H ATOM 22927 OH2 TIP3 7863 35.455 81.584 38.802 1.00 0.00 WT1 O ATOM 22928 H1 TIP3 7863 35.095 80.774 39.162 1.00 0.00 WT1 H ATOM 22929 H2 TIP3 7863 36.382 81.561 39.039 1.00 0.00 WT1 H ATOM 22930 OH2 TIP3 7864 47.324 77.471 1.911 1.00 0.00 WT1 O ATOM 22931 H1 TIP3 7864 47.447 76.929 1.132 1.00 0.00 WT1 H ATOM 22932 H2 TIP3 7864 48.196 77.532 2.302 1.00 0.00 WT1 H ATOM 22933 OH2 TIP3 7865 60.428 40.600 -17.119 1.00 0.00 WT1 O ATOM 22934 H1 TIP3 7865 60.506 41.245 -17.822 1.00 0.00 WT1 H ATOM 22935 H2 TIP3 7865 60.275 39.770 -17.570 1.00 0.00 WT1 H ATOM 22936 OH2 TIP3 7866 65.296 23.158 25.244 1.00 0.00 WT1 O ATOM 22937 H1 TIP3 7866 65.456 22.801 26.118 1.00 0.00 WT1 H ATOM 22938 H2 TIP3 7866 64.437 22.816 24.999 1.00 0.00 WT1 H ATOM 22939 OH2 TIP3 7867 61.133 22.020 6.543 1.00 0.00 WT1 O ATOM 22940 H1 TIP3 7867 61.556 22.790 6.161 1.00 0.00 WT1 H ATOM 22941 H2 TIP3 7867 60.232 22.298 6.708 1.00 0.00 WT1 H ATOM 22942 OH2 TIP3 7868 82.696 0.960 58.064 1.00 0.00 WT1 O ATOM 22943 H1 TIP3 7868 82.429 1.674 58.643 1.00 0.00 WT1 H ATOM 22944 H2 TIP3 7868 82.890 0.232 58.654 1.00 0.00 WT1 H ATOM 22945 OH2 TIP3 7869 38.479 1.231 48.472 1.00 0.00 WT1 O ATOM 22946 H1 TIP3 7869 38.696 1.868 49.153 1.00 0.00 WT1 H ATOM 22947 H2 TIP3 7869 38.974 1.521 47.706 1.00 0.00 WT1 H ATOM 22948 OH2 TIP3 7870 48.139 19.372 -15.807 1.00 0.00 WT1 O ATOM 22949 H1 TIP3 7870 47.904 20.000 -16.489 1.00 0.00 WT1 H ATOM 22950 H2 TIP3 7870 49.053 19.151 -15.989 1.00 0.00 WT1 H ATOM 22951 OH2 TIP3 7871 62.552 83.039 56.179 1.00 0.00 WT1 O ATOM 22952 H1 TIP3 7871 63.119 82.273 56.092 1.00 0.00 WT1 H ATOM 22953 H2 TIP3 7871 62.690 83.339 57.078 1.00 0.00 WT1 H ATOM 22954 OH2 TIP3 7872 86.939 76.685 65.520 1.00 0.00 WT1 O ATOM 22955 H1 TIP3 7872 87.872 76.695 65.730 1.00 0.00 WT1 H ATOM 22956 H2 TIP3 7872 86.894 76.980 64.611 1.00 0.00 WT1 H ATOM 22957 OH2 TIP3 7874 20.310 60.994 24.845 1.00 0.00 WT1 O ATOM 22958 H1 TIP3 7874 21.188 61.047 24.467 1.00 0.00 WT1 H ATOM 22959 H2 TIP3 7874 19.940 60.189 24.481 1.00 0.00 WT1 H ATOM 22960 OH2 TIP3 7875 54.901 74.918 49.371 1.00 0.00 WT1 O ATOM 22961 H1 TIP3 7875 54.665 74.042 49.064 1.00 0.00 WT1 H ATOM 22962 H2 TIP3 7875 55.481 74.763 50.116 1.00 0.00 WT1 H ATOM 22963 OH2 TIP3 7877 70.942 73.807 3.058 1.00 0.00 WT1 O ATOM 22964 H1 TIP3 7877 71.116 72.925 2.728 1.00 0.00 WT1 H ATOM 22965 H2 TIP3 7877 70.121 74.063 2.638 1.00 0.00 WT1 H ATOM 22966 OH2 TIP3 7878 85.728 71.984 63.074 1.00 0.00 WT1 O ATOM 22967 H1 TIP3 7878 85.020 72.452 62.632 1.00 0.00 WT1 H ATOM 22968 H2 TIP3 7878 85.296 71.245 63.503 1.00 0.00 WT1 H ATOM 22969 OH2 TIP3 7879 30.423 90.244 63.061 1.00 0.00 WT1 O ATOM 22970 H1 TIP3 7879 29.712 90.257 62.420 1.00 0.00 WT1 H ATOM 22971 H2 TIP3 7879 30.976 89.512 62.791 1.00 0.00 WT1 H ATOM 22972 OH2 TIP3 7880 86.735 6.872 -8.865 1.00 0.00 WT1 O ATOM 22973 H1 TIP3 7880 87.560 7.287 -9.119 1.00 0.00 WT1 H ATOM 22974 H2 TIP3 7880 86.060 7.400 -9.291 1.00 0.00 WT1 H ATOM 22975 OH2 TIP3 7881 50.756 74.079 -11.766 1.00 0.00 WT1 O ATOM 22976 H1 TIP3 7881 50.986 73.526 -12.513 1.00 0.00 WT1 H ATOM 22977 H2 TIP3 7881 49.868 73.809 -11.533 1.00 0.00 WT1 H ATOM 22978 OH2 TIP3 7882 87.810 43.143 63.626 1.00 0.00 WT1 O ATOM 22979 H1 TIP3 7882 88.148 43.891 63.133 1.00 0.00 WT1 H ATOM 22980 H2 TIP3 7882 88.352 43.110 64.414 1.00 0.00 WT1 H ATOM 22981 OH2 TIP3 7883 86.358 69.296 -9.180 1.00 0.00 WT1 O ATOM 22982 H1 TIP3 7883 87.310 69.397 -9.176 1.00 0.00 WT1 H ATOM 22983 H2 TIP3 7883 86.022 70.170 -8.978 1.00 0.00 WT1 H ATOM 22984 OH2 TIP3 7884 24.915 53.624 13.488 1.00 0.00 WT1 O ATOM 22985 H1 TIP3 7884 25.377 54.462 13.498 1.00 0.00 WT1 H ATOM 22986 H2 TIP3 7884 25.316 53.137 12.768 1.00 0.00 WT1 H ATOM 22987 OH2 TIP3 7885 41.065 55.904 -5.113 1.00 0.00 WT1 O ATOM 22988 H1 TIP3 7885 41.633 55.658 -5.843 1.00 0.00 WT1 H ATOM 22989 H2 TIP3 7885 41.668 56.129 -4.405 1.00 0.00 WT1 H ATOM 22990 OH2 TIP3 7886 85.845 21.030 3.359 1.00 0.00 WT1 O ATOM 22991 H1 TIP3 7886 85.724 21.578 2.583 1.00 0.00 WT1 H ATOM 22992 H2 TIP3 7886 86.266 20.236 3.028 1.00 0.00 WT1 H ATOM 22993 OH2 TIP3 7887 89.117 51.176 0.784 1.00 0.00 WT1 O ATOM 22994 H1 TIP3 7887 88.442 51.852 0.842 1.00 0.00 WT1 H ATOM 22995 H2 TIP3 7887 89.120 50.765 1.648 1.00 0.00 WT1 H ATOM 22996 OH2 TIP3 7889 57.018 56.525 -15.148 1.00 0.00 WT1 O ATOM 22997 H1 TIP3 7889 56.357 56.691 -15.820 1.00 0.00 WT1 H ATOM 22998 H2 TIP3 7889 57.086 55.571 -15.109 1.00 0.00 WT1 H ATOM 22999 OH2 TIP3 7890 37.772 28.780 16.255 1.00 0.00 WT1 O ATOM 23000 H1 TIP3 7890 37.656 27.873 15.972 1.00 0.00 WT1 H ATOM 23001 H2 TIP3 7890 38.659 29.006 15.978 1.00 0.00 WT1 H ATOM 23002 OH2 TIP3 7891 27.153 53.876 23.117 1.00 0.00 WT1 O ATOM 23003 H1 TIP3 7891 27.414 53.777 22.202 1.00 0.00 WT1 H ATOM 23004 H2 TIP3 7891 27.319 54.797 23.316 1.00 0.00 WT1 H ATOM 23005 OH2 TIP3 7892 28.241 57.240 38.785 1.00 0.00 WT1 O ATOM 23006 H1 TIP3 7892 28.023 58.160 38.932 1.00 0.00 WT1 H ATOM 23007 H2 TIP3 7892 29.197 57.219 38.774 1.00 0.00 WT1 H ATOM 23008 OH2 TIP3 7893 21.924 29.227 46.989 1.00 0.00 WT1 O ATOM 23009 H1 TIP3 7893 21.578 30.116 46.909 1.00 0.00 WT1 H ATOM 23010 H2 TIP3 7893 22.110 28.960 46.089 1.00 0.00 WT1 H ATOM 23011 OH2 TIP3 7895 74.271 18.704 54.155 1.00 0.00 WT1 O ATOM 23012 H1 TIP3 7895 74.342 19.131 55.009 1.00 0.00 WT1 H ATOM 23013 H2 TIP3 7895 75.092 18.917 53.711 1.00 0.00 WT1 H ATOM 23014 OH2 TIP3 7896 83.671 43.767 36.384 1.00 0.00 WT1 O ATOM 23015 H1 TIP3 7896 83.783 42.842 36.167 1.00 0.00 WT1 H ATOM 23016 H2 TIP3 7896 83.881 44.231 35.574 1.00 0.00 WT1 H ATOM 23017 OH2 TIP3 7897 39.505 2.899 54.132 1.00 0.00 WT1 O ATOM 23018 H1 TIP3 7897 40.356 2.462 54.087 1.00 0.00 WT1 H ATOM 23019 H2 TIP3 7897 39.334 2.993 55.069 1.00 0.00 WT1 H ATOM 23020 OH2 TIP3 7899 80.655 70.547 64.240 1.00 0.00 WT1 O ATOM 23021 H1 TIP3 7899 80.608 69.613 64.037 1.00 0.00 WT1 H ATOM 23022 H2 TIP3 7899 79.788 70.763 64.581 1.00 0.00 WT1 H ATOM 23023 OH2 TIP3 7900 33.370 94.577 18.096 1.00 0.00 WT1 O ATOM 23024 H1 TIP3 7900 32.440 94.515 18.315 1.00 0.00 WT1 H ATOM 23025 H2 TIP3 7900 33.496 93.934 17.398 1.00 0.00 WT1 H ATOM 23026 OH2 TIP3 7901 90.214 63.723 -7.598 1.00 0.00 WT1 O ATOM 23027 H1 TIP3 7901 90.902 63.864 -8.249 1.00 0.00 WT1 H ATOM 23028 H2 TIP3 7901 89.881 62.846 -7.788 1.00 0.00 WT1 H ATOM 23029 OH2 TIP3 7902 48.686 91.028 27.655 1.00 0.00 WT1 O ATOM 23030 H1 TIP3 7902 47.740 90.957 27.779 1.00 0.00 WT1 H ATOM 23031 H2 TIP3 7902 49.015 90.142 27.804 1.00 0.00 WT1 H ATOM 23032 OH2 TIP3 7904 30.665 95.746 1.384 1.00 0.00 WT1 O ATOM 23033 H1 TIP3 7904 30.287 95.024 0.881 1.00 0.00 WT1 H ATOM 23034 H2 TIP3 7904 31.175 95.318 2.071 1.00 0.00 WT1 H ATOM 23035 OH2 TIP3 7905 72.237 38.134 4.885 1.00 0.00 WT1 O ATOM 23036 H1 TIP3 7905 72.614 37.381 5.341 1.00 0.00 WT1 H ATOM 23037 H2 TIP3 7905 71.739 38.597 5.559 1.00 0.00 WT1 H ATOM 23038 OH2 TIP3 7906 74.557 28.282 18.711 1.00 0.00 WT1 O ATOM 23039 H1 TIP3 7906 74.690 29.062 18.172 1.00 0.00 WT1 H ATOM 23040 H2 TIP3 7906 73.750 27.893 18.375 1.00 0.00 WT1 H ATOM 23041 OH2 TIP3 7907 53.182 47.187 -14.425 1.00 0.00 WT1 O ATOM 23042 H1 TIP3 7907 53.812 46.470 -14.497 1.00 0.00 WT1 H ATOM 23043 H2 TIP3 7907 52.815 47.096 -13.545 1.00 0.00 WT1 H ATOM 23044 OH2 TIP3 7908 72.174 96.427 7.781 1.00 0.00 WT1 O ATOM 23045 H1 TIP3 7908 71.467 97.072 7.760 1.00 0.00 WT1 H ATOM 23046 H2 TIP3 7908 72.040 95.900 6.993 1.00 0.00 WT1 H ATOM 23047 OH2 TIP3 7909 57.844 58.437 -11.780 1.00 0.00 WT1 O ATOM 23048 H1 TIP3 7909 57.706 57.721 -11.160 1.00 0.00 WT1 H ATOM 23049 H2 TIP3 7909 57.022 58.927 -11.768 1.00 0.00 WT1 H ATOM 23050 OH2 TIP3 7910 50.803 73.103 49.488 1.00 0.00 WT1 O ATOM 23051 H1 TIP3 7910 50.973 72.650 50.314 1.00 0.00 WT1 H ATOM 23052 H2 TIP3 7910 50.424 72.432 48.920 1.00 0.00 WT1 H ATOM 23053 OH2 TIP3 7911 85.111 49.902 49.022 1.00 0.00 WT1 O ATOM 23054 H1 TIP3 7911 84.841 49.278 49.696 1.00 0.00 WT1 H ATOM 23055 H2 TIP3 7911 85.082 49.401 48.207 1.00 0.00 WT1 H ATOM 23056 OH2 TIP3 7912 39.628 67.888 -0.867 1.00 0.00 WT1 O ATOM 23057 H1 TIP3 7912 40.071 68.444 -0.226 1.00 0.00 WT1 H ATOM 23058 H2 TIP3 7912 39.624 67.018 -0.468 1.00 0.00 WT1 H ATOM 23059 OH2 TIP3 7913 82.290 80.616 -16.829 1.00 0.00 WT1 O ATOM 23060 H1 TIP3 7913 81.336 80.676 -16.775 1.00 0.00 WT1 H ATOM 23061 H2 TIP3 7913 82.586 81.525 -16.875 1.00 0.00 WT1 H ATOM 23062 OH2 TIP3 7914 60.672 39.258 45.139 1.00 0.00 WT1 O ATOM 23063 H1 TIP3 7914 60.430 40.011 44.600 1.00 0.00 WT1 H ATOM 23064 H2 TIP3 7914 61.171 39.633 45.864 1.00 0.00 WT1 H ATOM 23065 OH2 TIP3 7915 61.802 71.679 56.411 1.00 0.00 WT1 O ATOM 23066 H1 TIP3 7915 62.461 71.292 55.835 1.00 0.00 WT1 H ATOM 23067 H2 TIP3 7915 61.187 70.966 56.585 1.00 0.00 WT1 H ATOM 23068 OH2 TIP3 7916 30.660 37.513 32.651 1.00 0.00 WT1 O ATOM 23069 H1 TIP3 7916 30.381 38.268 33.169 1.00 0.00 WT1 H ATOM 23070 H2 TIP3 7916 30.586 37.804 31.742 1.00 0.00 WT1 H ATOM 23071 OH2 TIP3 7917 27.749 68.789 18.126 1.00 0.00 WT1 O ATOM 23072 H1 TIP3 7917 28.635 68.435 18.047 1.00 0.00 WT1 H ATOM 23073 H2 TIP3 7917 27.852 69.576 18.661 1.00 0.00 WT1 H ATOM 23074 OH2 TIP3 7918 32.282 39.819 39.848 1.00 0.00 WT1 O ATOM 23075 H1 TIP3 7918 31.467 39.388 39.588 1.00 0.00 WT1 H ATOM 23076 H2 TIP3 7918 32.895 39.619 39.141 1.00 0.00 WT1 H ATOM 23077 OH2 TIP3 7919 22.522 26.349 22.566 1.00 0.00 WT1 O ATOM 23078 H1 TIP3 7919 21.693 25.895 22.416 1.00 0.00 WT1 H ATOM 23079 H2 TIP3 7919 22.269 27.203 22.915 1.00 0.00 WT1 H ATOM 23080 OH2 TIP3 7920 46.258 90.989 65.449 1.00 0.00 WT1 O ATOM 23081 H1 TIP3 7920 46.252 90.800 64.511 1.00 0.00 WT1 H ATOM 23082 H2 TIP3 7920 47.133 90.734 65.740 1.00 0.00 WT1 H ATOM 23083 OH2 TIP3 7921 21.085 39.933 1.495 1.00 0.00 WT1 O ATOM 23084 H1 TIP3 7921 21.301 39.794 2.417 1.00 0.00 WT1 H ATOM 23085 H2 TIP3 7921 20.138 39.799 1.448 1.00 0.00 WT1 H ATOM 23086 OH2 TIP3 7922 68.175 86.178 -13.417 1.00 0.00 WT1 O ATOM 23087 H1 TIP3 7922 67.533 85.507 -13.651 1.00 0.00 WT1 H ATOM 23088 H2 TIP3 7922 68.571 86.431 -14.251 1.00 0.00 WT1 H ATOM 23089 OH2 TIP3 7923 84.723 88.604 -16.464 1.00 0.00 WT1 O ATOM 23090 H1 TIP3 7923 84.547 88.858 -17.370 1.00 0.00 WT1 H ATOM 23091 H2 TIP3 7923 85.049 87.706 -16.527 1.00 0.00 WT1 H ATOM 23092 OH2 TIP3 7924 86.699 46.246 4.168 1.00 0.00 WT1 O ATOM 23093 H1 TIP3 7924 85.899 45.802 4.450 1.00 0.00 WT1 H ATOM 23094 H2 TIP3 7924 87.403 45.783 4.623 1.00 0.00 WT1 H ATOM 23095 OH2 TIP3 7925 57.426 73.156 -12.196 1.00 0.00 WT1 O ATOM 23096 H1 TIP3 7925 57.574 72.213 -12.265 1.00 0.00 WT1 H ATOM 23097 H2 TIP3 7925 56.596 73.303 -12.650 1.00 0.00 WT1 H ATOM 23098 OH2 TIP3 7926 68.366 73.141 67.045 1.00 0.00 WT1 O ATOM 23099 H1 TIP3 7926 67.611 73.108 66.459 1.00 0.00 WT1 H ATOM 23100 H2 TIP3 7926 69.058 72.680 66.571 1.00 0.00 WT1 H ATOM 23101 OH2 TIP3 7927 74.570 12.748 48.744 1.00 0.00 WT1 O ATOM 23102 H1 TIP3 7927 73.948 13.401 49.063 1.00 0.00 WT1 H ATOM 23103 H2 TIP3 7927 74.024 12.016 48.457 1.00 0.00 WT1 H ATOM 23104 OH2 TIP3 7928 76.619 87.144 43.268 1.00 0.00 WT1 O ATOM 23105 H1 TIP3 7928 76.889 86.544 42.573 1.00 0.00 WT1 H ATOM 23106 H2 TIP3 7928 75.786 87.504 42.964 1.00 0.00 WT1 H ATOM 23107 OH2 TIP3 7929 42.220 1.796 50.175 1.00 0.00 WT1 O ATOM 23108 H1 TIP3 7929 42.342 1.541 49.261 1.00 0.00 WT1 H ATOM 23109 H2 TIP3 7929 43.038 2.235 50.412 1.00 0.00 WT1 H ATOM 23110 OH2 TIP3 7930 82.959 96.047 43.522 1.00 0.00 WT1 O ATOM 23111 H1 TIP3 7930 82.076 96.108 43.157 1.00 0.00 WT1 H ATOM 23112 H2 TIP3 7930 82.961 95.223 44.008 1.00 0.00 WT1 H ATOM 23113 OH2 TIP3 7931 26.532 51.734 52.946 1.00 0.00 WT1 O ATOM 23114 H1 TIP3 7931 26.964 52.571 52.777 1.00 0.00 WT1 H ATOM 23115 H2 TIP3 7931 27.221 51.080 52.828 1.00 0.00 WT1 H ATOM 23116 OH2 TIP3 7932 28.715 53.772 -1.996 1.00 0.00 WT1 O ATOM 23117 H1 TIP3 7932 27.865 54.205 -2.074 1.00 0.00 WT1 H ATOM 23118 H2 TIP3 7932 28.677 53.317 -1.155 1.00 0.00 WT1 H ATOM 23119 OH2 TIP3 7933 38.402 28.750 35.864 1.00 0.00 WT1 O ATOM 23120 H1 TIP3 7933 38.479 28.935 36.800 1.00 0.00 WT1 H ATOM 23121 H2 TIP3 7933 38.672 29.562 35.435 1.00 0.00 WT1 H ATOM 23122 OH2 TIP3 7934 75.078 56.714 36.938 1.00 0.00 WT1 O ATOM 23123 H1 TIP3 7934 74.366 57.354 36.942 1.00 0.00 WT1 H ATOM 23124 H2 TIP3 7934 75.531 56.864 36.108 1.00 0.00 WT1 H ATOM 23125 OH2 TIP3 7935 81.930 48.870 52.435 1.00 0.00 WT1 O ATOM 23126 H1 TIP3 7935 81.747 48.379 53.236 1.00 0.00 WT1 H ATOM 23127 H2 TIP3 7935 81.629 49.759 52.623 1.00 0.00 WT1 H ATOM 23128 OH2 TIP3 7936 68.707 47.472 16.841 1.00 0.00 WT1 O ATOM 23129 H1 TIP3 7936 68.353 47.330 15.963 1.00 0.00 WT1 H ATOM 23130 H2 TIP3 7936 68.285 46.804 17.381 1.00 0.00 WT1 H ATOM 23131 OH2 TIP3 7937 42.310 79.312 33.895 1.00 0.00 WT1 O ATOM 23132 H1 TIP3 7937 42.460 79.688 33.028 1.00 0.00 WT1 H ATOM 23133 H2 TIP3 7937 42.016 78.418 33.722 1.00 0.00 WT1 H ATOM 23134 OH2 TIP3 7938 54.190 88.519 -3.923 1.00 0.00 WT1 O ATOM 23135 H1 TIP3 7938 53.266 88.492 -3.674 1.00 0.00 WT1 H ATOM 23136 H2 TIP3 7938 54.181 88.523 -4.880 1.00 0.00 WT1 H ATOM 23137 OH2 TIP3 7939 22.264 79.646 27.057 1.00 0.00 WT1 O ATOM 23138 H1 TIP3 7939 23.073 80.135 27.208 1.00 0.00 WT1 H ATOM 23139 H2 TIP3 7939 22.551 78.741 26.930 1.00 0.00 WT1 H ATOM 23140 OH2 TIP3 7940 83.880 38.203 1.711 1.00 0.00 WT1 O ATOM 23141 H1 TIP3 7940 84.395 38.358 0.919 1.00 0.00 WT1 H ATOM 23142 H2 TIP3 7940 83.002 37.997 1.390 1.00 0.00 WT1 H ATOM 23143 OH2 TIP3 7941 53.900 8.279 -0.257 1.00 0.00 WT1 O ATOM 23144 H1 TIP3 7941 54.562 8.754 0.245 1.00 0.00 WT1 H ATOM 23145 H2 TIP3 7941 53.569 7.616 0.349 1.00 0.00 WT1 H ATOM 23146 OH2 TIP3 7942 40.092 16.218 -1.564 1.00 0.00 WT1 O ATOM 23147 H1 TIP3 7942 40.988 16.363 -1.868 1.00 0.00 WT1 H ATOM 23148 H2 TIP3 7942 39.612 15.954 -2.350 1.00 0.00 WT1 H ATOM 23149 OH2 TIP3 7943 89.218 21.590 1.003 1.00 0.00 WT1 O ATOM 23150 H1 TIP3 7943 89.421 20.829 1.546 1.00 0.00 WT1 H ATOM 23151 H2 TIP3 7943 90.045 21.806 0.573 1.00 0.00 WT1 H ATOM 23152 OH2 TIP3 7944 49.838 73.582 61.271 1.00 0.00 WT1 O ATOM 23153 H1 TIP3 7944 49.443 72.736 61.058 1.00 0.00 WT1 H ATOM 23154 H2 TIP3 7944 49.465 74.189 60.631 1.00 0.00 WT1 H ATOM 23155 OH2 TIP3 7945 42.438 88.157 -2.530 1.00 0.00 WT1 O ATOM 23156 H1 TIP3 7945 42.023 87.404 -2.109 1.00 0.00 WT1 H ATOM 23157 H2 TIP3 7945 42.665 88.741 -1.808 1.00 0.00 WT1 H ATOM 23158 OH2 TIP3 7946 36.685 66.754 -4.179 1.00 0.00 WT1 O ATOM 23159 H1 TIP3 7946 36.112 67.500 -4.355 1.00 0.00 WT1 H ATOM 23160 H2 TIP3 7946 36.594 66.195 -4.951 1.00 0.00 WT1 H ATOM 23161 OH2 TIP3 7947 29.708 2.804 -11.535 1.00 0.00 WT1 O ATOM 23162 H1 TIP3 7947 29.947 3.547 -10.982 1.00 0.00 WT1 H ATOM 23163 H2 TIP3 7947 29.825 2.038 -10.972 1.00 0.00 WT1 H ATOM 23164 OH2 TIP3 7948 36.928 22.678 14.673 1.00 0.00 WT1 O ATOM 23165 H1 TIP3 7948 37.175 23.200 13.909 1.00 0.00 WT1 H ATOM 23166 H2 TIP3 7948 37.728 22.621 15.194 1.00 0.00 WT1 H ATOM 23167 OH2 TIP3 7949 42.772 63.588 57.050 1.00 0.00 WT1 O ATOM 23168 H1 TIP3 7949 43.728 63.605 57.098 1.00 0.00 WT1 H ATOM 23169 H2 TIP3 7949 42.574 62.851 56.472 1.00 0.00 WT1 H ATOM 23170 OH2 TIP3 7950 80.181 84.305 20.748 1.00 0.00 WT1 O ATOM 23171 H1 TIP3 7950 80.451 83.453 20.405 1.00 0.00 WT1 H ATOM 23172 H2 TIP3 7950 80.824 84.505 21.428 1.00 0.00 WT1 H ATOM 23173 OH2 TIP3 7951 48.588 46.596 -10.622 1.00 0.00 WT1 O ATOM 23174 H1 TIP3 7951 49.441 46.780 -11.017 1.00 0.00 WT1 H ATOM 23175 H2 TIP3 7951 48.484 47.270 -9.951 1.00 0.00 WT1 H ATOM 23176 OH2 TIP3 7952 30.517 33.079 -1.844 1.00 0.00 WT1 O ATOM 23177 H1 TIP3 7952 29.759 33.574 -2.154 1.00 0.00 WT1 H ATOM 23178 H2 TIP3 7952 31.230 33.717 -1.829 1.00 0.00 WT1 H ATOM 23179 OH2 TIP3 7953 83.718 8.295 -19.117 1.00 0.00 WT1 O ATOM 23180 H1 TIP3 7953 83.531 8.171 -18.187 1.00 0.00 WT1 H ATOM 23181 H2 TIP3 7953 84.509 8.833 -19.134 1.00 0.00 WT1 H ATOM 23182 OH2 TIP3 7954 72.166 44.085 60.653 1.00 0.00 WT1 O ATOM 23183 H1 TIP3 7954 73.116 44.014 60.738 1.00 0.00 WT1 H ATOM 23184 H2 TIP3 7954 71.975 45.002 60.851 1.00 0.00 WT1 H ATOM 23185 OH2 TIP3 7955 71.168 1.704 3.730 1.00 0.00 WT1 O ATOM 23186 H1 TIP3 7955 71.936 2.095 4.147 1.00 0.00 WT1 H ATOM 23187 H2 TIP3 7955 71.040 2.218 2.933 1.00 0.00 WT1 H ATOM 23188 OH2 TIP3 7956 80.787 52.276 22.270 1.00 0.00 WT1 O ATOM 23189 H1 TIP3 7956 80.018 52.570 21.782 1.00 0.00 WT1 H ATOM 23190 H2 TIP3 7956 81.102 51.513 21.785 1.00 0.00 WT1 H ATOM 23191 OH2 TIP3 7957 68.456 88.436 64.620 1.00 0.00 WT1 O ATOM 23192 H1 TIP3 7957 68.696 89.323 64.349 1.00 0.00 WT1 H ATOM 23193 H2 TIP3 7957 69.233 88.104 65.069 1.00 0.00 WT1 H ATOM 23194 OH2 TIP3 7958 60.989 88.606 27.997 1.00 0.00 WT1 O ATOM 23195 H1 TIP3 7958 61.224 88.786 28.907 1.00 0.00 WT1 H ATOM 23196 H2 TIP3 7958 60.033 88.632 27.986 1.00 0.00 WT1 H ATOM 23197 OH2 TIP3 7959 74.517 17.897 6.247 1.00 0.00 WT1 O ATOM 23198 H1 TIP3 7959 74.986 18.283 6.987 1.00 0.00 WT1 H ATOM 23199 H2 TIP3 7959 74.489 18.593 5.590 1.00 0.00 WT1 H ATOM 23200 OH2 TIP3 7960 67.062 23.911 31.626 1.00 0.00 WT1 O ATOM 23201 H1 TIP3 7960 67.029 24.551 30.915 1.00 0.00 WT1 H ATOM 23202 H2 TIP3 7960 67.667 23.237 31.315 1.00 0.00 WT1 H ATOM 23203 OH2 TIP3 7962 49.742 81.206 38.569 1.00 0.00 WT1 O ATOM 23204 H1 TIP3 7962 49.207 80.413 38.534 1.00 0.00 WT1 H ATOM 23205 H2 TIP3 7962 49.728 81.544 37.674 1.00 0.00 WT1 H ATOM 23206 OH2 TIP3 7963 29.373 21.769 58.535 1.00 0.00 WT1 O ATOM 23207 H1 TIP3 7963 28.547 21.676 59.010 1.00 0.00 WT1 H ATOM 23208 H2 TIP3 7963 29.952 22.221 59.149 1.00 0.00 WT1 H ATOM 23209 OH2 TIP3 7964 73.521 95.646 3.831 1.00 0.00 WT1 O ATOM 23210 H1 TIP3 7964 72.833 96.227 3.504 1.00 0.00 WT1 H ATOM 23211 H2 TIP3 7964 73.048 94.911 4.223 1.00 0.00 WT1 H ATOM 23212 OH2 TIP3 7965 68.704 31.725 15.585 1.00 0.00 WT1 O ATOM 23213 H1 TIP3 7965 68.164 31.804 14.799 1.00 0.00 WT1 H ATOM 23214 H2 TIP3 7965 68.464 32.482 16.118 1.00 0.00 WT1 H ATOM 23215 OH2 TIP3 7966 80.754 33.265 37.973 1.00 0.00 WT1 O ATOM 23216 H1 TIP3 7966 80.414 32.597 37.377 1.00 0.00 WT1 H ATOM 23217 H2 TIP3 7966 81.705 33.215 37.872 1.00 0.00 WT1 H ATOM 23218 OH2 TIP3 7967 81.129 32.807 -6.793 1.00 0.00 WT1 O ATOM 23219 H1 TIP3 7967 81.991 32.839 -7.207 1.00 0.00 WT1 H ATOM 23220 H2 TIP3 7967 81.251 33.246 -5.951 1.00 0.00 WT1 H ATOM 23221 OH2 TIP3 7968 27.035 19.107 9.303 1.00 0.00 WT1 O ATOM 23222 H1 TIP3 7968 26.408 18.400 9.153 1.00 0.00 WT1 H ATOM 23223 H2 TIP3 7968 26.972 19.655 8.521 1.00 0.00 WT1 H ATOM 23224 OH2 TIP3 7969 39.539 25.948 -13.572 1.00 0.00 WT1 O ATOM 23225 H1 TIP3 7969 38.782 25.503 -13.192 1.00 0.00 WT1 H ATOM 23226 H2 TIP3 7969 40.208 25.910 -12.889 1.00 0.00 WT1 H ATOM 23227 OH2 TIP3 7970 43.970 11.872 65.137 1.00 0.00 WT1 O ATOM 23228 H1 TIP3 7970 44.292 11.607 64.275 1.00 0.00 WT1 H ATOM 23229 H2 TIP3 7970 44.449 12.677 65.336 1.00 0.00 WT1 H ATOM 23230 OH2 TIP3 7971 86.695 96.309 -16.905 1.00 0.00 WT1 O ATOM 23231 H1 TIP3 7971 86.855 97.056 -17.481 1.00 0.00 WT1 H ATOM 23232 H2 TIP3 7971 87.451 96.291 -16.319 1.00 0.00 WT1 H ATOM 23233 OH2 TIP3 7972 28.296 32.808 2.281 1.00 0.00 WT1 O ATOM 23234 H1 TIP3 7972 29.011 32.438 1.763 1.00 0.00 WT1 H ATOM 23235 H2 TIP3 7972 28.160 32.177 2.988 1.00 0.00 WT1 H ATOM 23236 OH2 TIP3 7973 54.009 88.702 37.337 1.00 0.00 WT1 O ATOM 23237 H1 TIP3 7973 54.380 87.862 37.066 1.00 0.00 WT1 H ATOM 23238 H2 TIP3 7973 53.069 88.611 37.181 1.00 0.00 WT1 H ATOM 23239 OH2 TIP3 7974 84.297 40.175 40.047 1.00 0.00 WT1 O ATOM 23240 H1 TIP3 7974 84.319 41.055 40.423 1.00 0.00 WT1 H ATOM 23241 H2 TIP3 7974 83.835 39.648 40.699 1.00 0.00 WT1 H ATOM 23242 OH2 TIP3 7975 43.632 2.301 36.137 1.00 0.00 WT1 O ATOM 23243 H1 TIP3 7975 43.308 2.800 36.887 1.00 0.00 WT1 H ATOM 23244 H2 TIP3 7975 44.118 1.573 36.525 1.00 0.00 WT1 H ATOM 23245 OH2 TIP3 7976 40.947 21.993 63.188 1.00 0.00 WT1 O ATOM 23246 H1 TIP3 7976 40.596 22.176 64.060 1.00 0.00 WT1 H ATOM 23247 H2 TIP3 7976 41.576 21.284 63.327 1.00 0.00 WT1 H ATOM 23248 OH2 TIP3 7977 74.695 79.064 -2.810 1.00 0.00 WT1 O ATOM 23249 H1 TIP3 7977 75.371 79.071 -3.488 1.00 0.00 WT1 H ATOM 23250 H2 TIP3 7977 74.076 79.741 -3.082 1.00 0.00 WT1 H ATOM 23251 OH2 TIP3 7978 67.993 82.257 49.064 1.00 0.00 WT1 O ATOM 23252 H1 TIP3 7978 67.125 82.481 48.728 1.00 0.00 WT1 H ATOM 23253 H2 TIP3 7978 67.869 82.169 50.009 1.00 0.00 WT1 H ATOM 23254 OH2 TIP3 7979 34.506 53.584 37.190 1.00 0.00 WT1 O ATOM 23255 H1 TIP3 7979 34.578 54.402 36.699 1.00 0.00 WT1 H ATOM 23256 H2 TIP3 7979 34.107 53.837 38.022 1.00 0.00 WT1 H ATOM 23257 OH2 TIP3 7980 74.875 73.581 20.449 1.00 0.00 WT1 O ATOM 23258 H1 TIP3 7980 74.175 73.623 21.100 1.00 0.00 WT1 H ATOM 23259 H2 TIP3 7980 75.641 73.940 20.897 1.00 0.00 WT1 H ATOM 23260 OH2 TIP3 7981 42.867 6.905 24.649 1.00 0.00 WT1 O ATOM 23261 H1 TIP3 7981 41.948 7.022 24.890 1.00 0.00 WT1 H ATOM 23262 H2 TIP3 7981 43.169 7.783 24.418 1.00 0.00 WT1 H ATOM 23263 OH2 TIP3 7982 28.075 2.050 -13.828 1.00 0.00 WT1 O ATOM 23264 H1 TIP3 7982 28.512 1.465 -13.210 1.00 0.00 WT1 H ATOM 23265 H2 TIP3 7982 28.519 1.894 -14.662 1.00 0.00 WT1 H ATOM 23266 OH2 TIP3 7983 61.430 1.131 -17.434 1.00 0.00 WT1 O ATOM 23267 H1 TIP3 7983 61.943 1.319 -16.648 1.00 0.00 WT1 H ATOM 23268 H2 TIP3 7983 60.519 1.179 -17.143 1.00 0.00 WT1 H ATOM 23269 OH2 TIP3 7984 23.585 90.846 4.238 1.00 0.00 WT1 O ATOM 23270 H1 TIP3 7984 22.964 91.570 4.157 1.00 0.00 WT1 H ATOM 23271 H2 TIP3 7984 23.737 90.765 5.180 1.00 0.00 WT1 H ATOM 23272 OH2 TIP3 7985 34.882 78.546 -3.606 1.00 0.00 WT1 O ATOM 23273 H1 TIP3 7985 35.277 77.862 -4.146 1.00 0.00 WT1 H ATOM 23274 H2 TIP3 7985 33.941 78.383 -3.662 1.00 0.00 WT1 H ATOM 23275 OH2 TIP3 7986 73.801 10.016 -8.574 1.00 0.00 WT1 O ATOM 23276 H1 TIP3 7986 72.940 10.272 -8.905 1.00 0.00 WT1 H ATOM 23277 H2 TIP3 7986 73.901 10.507 -7.759 1.00 0.00 WT1 H ATOM 23278 OH2 TIP3 7987 69.782 90.733 63.693 1.00 0.00 WT1 O ATOM 23279 H1 TIP3 7987 69.949 91.650 63.912 1.00 0.00 WT1 H ATOM 23280 H2 TIP3 7987 70.644 90.319 63.718 1.00 0.00 WT1 H ATOM 23281 OH2 TIP3 7988 39.022 35.814 5.318 1.00 0.00 WT1 O ATOM 23282 H1 TIP3 7988 39.190 35.239 6.065 1.00 0.00 WT1 H ATOM 23283 H2 TIP3 7988 38.668 36.614 5.707 1.00 0.00 WT1 H ATOM 23284 OH2 TIP3 7989 40.831 19.604 -16.268 1.00 0.00 WT1 O ATOM 23285 H1 TIP3 7989 40.429 18.900 -16.777 1.00 0.00 WT1 H ATOM 23286 H2 TIP3 7989 41.406 19.154 -15.649 1.00 0.00 WT1 H ATOM 23287 OH2 TIP3 7990 90.148 65.647 23.744 1.00 0.00 WT1 O ATOM 23288 H1 TIP3 7990 90.271 65.088 24.511 1.00 0.00 WT1 H ATOM 23289 H2 TIP3 7990 89.730 65.078 23.097 1.00 0.00 WT1 H ATOM 23290 OH2 TIP3 7991 35.742 83.139 9.923 1.00 0.00 WT1 O ATOM 23291 H1 TIP3 7991 35.064 83.675 9.511 1.00 0.00 WT1 H ATOM 23292 H2 TIP3 7991 36.335 82.910 9.207 1.00 0.00 WT1 H ATOM 23293 OH2 TIP3 7992 37.686 76.132 60.943 1.00 0.00 WT1 O ATOM 23294 H1 TIP3 7992 38.234 76.683 60.384 1.00 0.00 WT1 H ATOM 23295 H2 TIP3 7992 36.847 76.087 60.485 1.00 0.00 WT1 H ATOM 23296 OH2 TIP3 7993 66.710 52.174 0.810 1.00 0.00 WT1 O ATOM 23297 H1 TIP3 7993 66.257 52.741 0.186 1.00 0.00 WT1 H ATOM 23298 H2 TIP3 7993 66.220 52.276 1.626 1.00 0.00 WT1 H ATOM 23299 OH2 TIP3 7994 27.369 64.257 24.602 1.00 0.00 WT1 O ATOM 23300 H1 TIP3 7994 28.260 63.948 24.765 1.00 0.00 WT1 H ATOM 23301 H2 TIP3 7994 27.432 65.211 24.651 1.00 0.00 WT1 H ATOM 23302 OH2 TIP3 7995 65.392 38.970 64.025 1.00 0.00 WT1 O ATOM 23303 H1 TIP3 7995 65.221 38.052 63.811 1.00 0.00 WT1 H ATOM 23304 H2 TIP3 7995 64.769 39.173 64.722 1.00 0.00 WT1 H ATOM 23305 OH2 TIP3 7996 32.787 93.808 25.667 1.00 0.00 WT1 O ATOM 23306 H1 TIP3 7996 33.460 93.168 25.901 1.00 0.00 WT1 H ATOM 23307 H2 TIP3 7996 33.236 94.653 25.709 1.00 0.00 WT1 H ATOM 23308 OH2 TIP3 7997 46.854 38.972 39.126 1.00 0.00 WT1 O ATOM 23309 H1 TIP3 7997 46.855 38.595 38.246 1.00 0.00 WT1 H ATOM 23310 H2 TIP3 7997 47.769 38.935 39.403 1.00 0.00 WT1 H ATOM 23311 OH2 TIP3 7999 60.148 96.149 14.847 1.00 0.00 WT1 O ATOM 23312 H1 TIP3 7999 59.385 96.176 15.425 1.00 0.00 WT1 H ATOM 23313 H2 TIP3 7999 60.085 95.301 14.406 1.00 0.00 WT1 H ATOM 23314 OH2 TIP3 8000 27.890 73.284 61.678 1.00 0.00 WT1 O ATOM 23315 H1 TIP3 8000 27.880 74.234 61.563 1.00 0.00 WT1 H ATOM 23316 H2 TIP3 8000 28.271 73.151 62.546 1.00 0.00 WT1 H ATOM 23317 OH2 TIP3 8001 32.000 67.980 31.014 1.00 0.00 WT1 O ATOM 23318 H1 TIP3 8001 32.758 67.986 31.598 1.00 0.00 WT1 H ATOM 23319 H2 TIP3 8001 32.219 68.611 30.328 1.00 0.00 WT1 H ATOM 23320 OH2 TIP3 8002 25.092 18.087 -17.489 1.00 0.00 WT1 O ATOM 23321 H1 TIP3 8002 25.248 17.834 -18.399 1.00 0.00 WT1 H ATOM 23322 H2 TIP3 8002 25.655 18.848 -17.352 1.00 0.00 WT1 H ATOM 23323 OH2 TIP3 8003 21.946 36.403 5.189 1.00 0.00 WT1 O ATOM 23324 H1 TIP3 8003 22.741 35.904 5.003 1.00 0.00 WT1 H ATOM 23325 H2 TIP3 8003 21.642 36.699 4.331 1.00 0.00 WT1 H ATOM 23326 OH2 TIP3 8004 57.156 11.544 0.482 1.00 0.00 WT1 O ATOM 23327 H1 TIP3 8004 57.852 11.090 0.957 1.00 0.00 WT1 H ATOM 23328 H2 TIP3 8004 56.361 11.056 0.696 1.00 0.00 WT1 H ATOM 23329 OH2 TIP3 8005 51.659 8.124 60.432 1.00 0.00 WT1 O ATOM 23330 H1 TIP3 8005 51.835 8.659 61.206 1.00 0.00 WT1 H ATOM 23331 H2 TIP3 8005 52.509 7.748 60.202 1.00 0.00 WT1 H ATOM 23332 OH2 TIP3 8006 46.895 16.518 16.496 1.00 0.00 WT1 O ATOM 23333 H1 TIP3 8006 46.126 16.198 16.025 1.00 0.00 WT1 H ATOM 23334 H2 TIP3 8006 47.070 17.379 16.115 1.00 0.00 WT1 H ATOM 23335 OH2 TIP3 8007 23.219 75.026 15.496 1.00 0.00 WT1 O ATOM 23336 H1 TIP3 8007 23.449 74.367 16.151 1.00 0.00 WT1 H ATOM 23337 H2 TIP3 8007 23.575 74.684 14.676 1.00 0.00 WT1 H ATOM 23338 OH2 TIP3 8008 30.347 55.308 44.597 1.00 0.00 WT1 O ATOM 23339 H1 TIP3 8008 29.852 55.610 45.358 1.00 0.00 WT1 H ATOM 23340 H2 TIP3 8008 31.125 54.891 44.968 1.00 0.00 WT1 H ATOM 23341 OH2 TIP3 8010 46.830 71.613 31.385 1.00 0.00 WT1 O ATOM 23342 H1 TIP3 8010 46.584 70.689 31.342 1.00 0.00 WT1 H ATOM 23343 H2 TIP3 8010 46.930 71.792 32.320 1.00 0.00 WT1 H ATOM 23344 OH2 TIP3 8011 83.579 43.383 15.068 1.00 0.00 WT1 O ATOM 23345 H1 TIP3 8011 83.445 42.440 14.977 1.00 0.00 WT1 H ATOM 23346 H2 TIP3 8011 83.021 43.771 14.393 1.00 0.00 WT1 H ATOM 23347 OH2 TIP3 8012 26.746 7.119 -3.126 1.00 0.00 WT1 O ATOM 23348 H1 TIP3 8012 26.797 7.709 -2.374 1.00 0.00 WT1 H ATOM 23349 H2 TIP3 8012 27.419 6.459 -2.960 1.00 0.00 WT1 H ATOM 23350 OH2 TIP3 8013 30.808 89.956 27.510 1.00 0.00 WT1 O ATOM 23351 H1 TIP3 8013 30.662 90.588 26.806 1.00 0.00 WT1 H ATOM 23352 H2 TIP3 8013 31.477 89.364 27.165 1.00 0.00 WT1 H ATOM 23353 OH2 TIP3 8014 63.290 41.196 6.281 1.00 0.00 WT1 O ATOM 23354 H1 TIP3 8014 62.651 41.431 6.955 1.00 0.00 WT1 H ATOM 23355 H2 TIP3 8014 63.950 40.682 6.746 1.00 0.00 WT1 H ATOM 23356 OH2 TIP3 8015 44.983 22.145 -1.325 1.00 0.00 WT1 O ATOM 23357 H1 TIP3 8015 44.152 21.770 -1.617 1.00 0.00 WT1 H ATOM 23358 H2 TIP3 8015 45.100 21.808 -0.437 1.00 0.00 WT1 H ATOM 23359 OH2 TIP3 8016 87.743 30.300 34.596 1.00 0.00 WT1 O ATOM 23360 H1 TIP3 8016 86.845 30.553 34.379 1.00 0.00 WT1 H ATOM 23361 H2 TIP3 8016 88.106 31.065 35.043 1.00 0.00 WT1 H ATOM 23362 OH2 TIP3 8017 38.401 59.138 -4.910 1.00 0.00 WT1 O ATOM 23363 H1 TIP3 8017 39.329 58.933 -4.791 1.00 0.00 WT1 H ATOM 23364 H2 TIP3 8017 38.194 59.739 -4.195 1.00 0.00 WT1 H ATOM 23365 OH2 TIP3 8018 62.558 28.711 -3.097 1.00 0.00 WT1 O ATOM 23366 H1 TIP3 8018 63.112 29.484 -2.987 1.00 0.00 WT1 H ATOM 23367 H2 TIP3 8018 62.249 28.509 -2.214 1.00 0.00 WT1 H ATOM 23368 OH2 TIP3 8019 43.296 71.032 -5.377 1.00 0.00 WT1 O ATOM 23369 H1 TIP3 8019 44.132 70.690 -5.062 1.00 0.00 WT1 H ATOM 23370 H2 TIP3 8019 42.656 70.741 -4.727 1.00 0.00 WT1 H ATOM 23371 OH2 TIP3 8020 60.730 70.343 61.608 1.00 0.00 WT1 O ATOM 23372 H1 TIP3 8020 59.995 69.779 61.368 1.00 0.00 WT1 H ATOM 23373 H2 TIP3 8020 61.504 69.792 61.489 1.00 0.00 WT1 H ATOM 23374 OH2 TIP3 8021 61.084 62.075 63.307 1.00 0.00 WT1 O ATOM 23375 H1 TIP3 8021 61.504 62.805 63.762 1.00 0.00 WT1 H ATOM 23376 H2 TIP3 8021 60.152 62.294 63.310 1.00 0.00 WT1 H ATOM 23377 OH2 TIP3 8022 80.176 30.756 -12.158 1.00 0.00 WT1 O ATOM 23378 H1 TIP3 8022 80.852 30.648 -11.489 1.00 0.00 WT1 H ATOM 23379 H2 TIP3 8022 79.736 29.907 -12.195 1.00 0.00 WT1 H ATOM 23380 OH2 TIP3 8023 76.363 44.244 -5.424 1.00 0.00 WT1 O ATOM 23381 H1 TIP3 8023 75.456 43.965 -5.297 1.00 0.00 WT1 H ATOM 23382 H2 TIP3 8023 76.520 44.130 -6.361 1.00 0.00 WT1 H ATOM 23383 OH2 TIP3 8024 78.529 51.085 50.776 1.00 0.00 WT1 O ATOM 23384 H1 TIP3 8024 77.690 50.836 50.389 1.00 0.00 WT1 H ATOM 23385 H2 TIP3 8024 79.174 50.550 50.314 1.00 0.00 WT1 H ATOM 23386 OH2 TIP3 8025 54.768 18.486 23.662 1.00 0.00 WT1 O ATOM 23387 H1 TIP3 8025 55.224 19.214 23.239 1.00 0.00 WT1 H ATOM 23388 H2 TIP3 8025 53.869 18.798 23.771 1.00 0.00 WT1 H ATOM 23389 OH2 TIP3 8026 31.869 20.908 28.261 1.00 0.00 WT1 O ATOM 23390 H1 TIP3 8026 31.595 21.685 27.774 1.00 0.00 WT1 H ATOM 23391 H2 TIP3 8026 32.760 20.736 27.956 1.00 0.00 WT1 H ATOM 23392 OH2 TIP3 8027 85.740 5.451 0.506 1.00 0.00 WT1 O ATOM 23393 H1 TIP3 8027 85.968 5.279 -0.407 1.00 0.00 WT1 H ATOM 23394 H2 TIP3 8027 86.354 4.917 1.011 1.00 0.00 WT1 H ATOM 23395 OH2 TIP3 8028 73.061 87.020 58.983 1.00 0.00 WT1 O ATOM 23396 H1 TIP3 8028 72.738 87.085 59.882 1.00 0.00 WT1 H ATOM 23397 H2 TIP3 8028 72.553 86.307 58.596 1.00 0.00 WT1 H ATOM 23398 OH2 TIP3 8029 46.382 72.662 -5.681 1.00 0.00 WT1 O ATOM 23399 H1 TIP3 8029 46.769 72.639 -4.806 1.00 0.00 WT1 H ATOM 23400 H2 TIP3 8029 46.212 71.744 -5.892 1.00 0.00 WT1 H ATOM 23401 OH2 TIP3 8030 61.385 73.082 58.810 1.00 0.00 WT1 O ATOM 23402 H1 TIP3 8030 61.719 72.571 58.073 1.00 0.00 WT1 H ATOM 23403 H2 TIP3 8030 60.947 72.440 59.369 1.00 0.00 WT1 H ATOM 23404 OH2 TIP3 8032 49.980 20.571 21.218 1.00 0.00 WT1 O ATOM 23405 H1 TIP3 8032 49.760 21.358 20.719 1.00 0.00 WT1 H ATOM 23406 H2 TIP3 8032 50.289 20.901 22.062 1.00 0.00 WT1 H ATOM 23407 OH2 TIP3 8033 67.449 51.000 37.146 1.00 0.00 WT1 O ATOM 23408 H1 TIP3 8033 67.480 51.592 36.394 1.00 0.00 WT1 H ATOM 23409 H2 TIP3 8033 66.548 51.065 37.464 1.00 0.00 WT1 H ATOM 23410 OH2 TIP3 8034 36.550 44.990 29.613 1.00 0.00 WT1 O ATOM 23411 H1 TIP3 8034 37.380 44.815 30.056 1.00 0.00 WT1 H ATOM 23412 H2 TIP3 8034 36.617 45.901 29.327 1.00 0.00 WT1 H ATOM 23413 OH2 TIP3 8035 32.848 2.670 47.446 1.00 0.00 WT1 O ATOM 23414 H1 TIP3 8035 33.748 2.540 47.744 1.00 0.00 WT1 H ATOM 23415 H2 TIP3 8035 32.815 2.248 46.587 1.00 0.00 WT1 H ATOM 23416 OH2 TIP3 8036 80.059 22.308 65.732 1.00 0.00 WT1 O ATOM 23417 H1 TIP3 8036 80.604 22.667 65.031 1.00 0.00 WT1 H ATOM 23418 H2 TIP3 8036 79.487 23.033 65.985 1.00 0.00 WT1 H ATOM 23419 OH2 TIP3 8037 63.341 29.949 13.721 1.00 0.00 WT1 O ATOM 23420 H1 TIP3 8037 62.530 29.462 13.575 1.00 0.00 WT1 H ATOM 23421 H2 TIP3 8037 63.223 30.763 13.231 1.00 0.00 WT1 H ATOM 23422 OH2 TIP3 8038 52.812 76.764 36.874 1.00 0.00 WT1 O ATOM 23423 H1 TIP3 8038 52.482 77.205 36.091 1.00 0.00 WT1 H ATOM 23424 H2 TIP3 8038 52.278 77.113 37.588 1.00 0.00 WT1 H ATOM 23425 OH2 TIP3 8039 34.098 89.321 15.239 1.00 0.00 WT1 O ATOM 23426 H1 TIP3 8039 34.310 90.111 15.736 1.00 0.00 WT1 H ATOM 23427 H2 TIP3 8039 33.329 88.960 15.679 1.00 0.00 WT1 H ATOM 23428 OH2 TIP3 8040 38.035 70.496 16.650 1.00 0.00 WT1 O ATOM 23429 H1 TIP3 8040 37.918 69.598 16.342 1.00 0.00 WT1 H ATOM 23430 H2 TIP3 8040 38.396 70.963 15.897 1.00 0.00 WT1 H ATOM 23431 OH2 TIP3 8041 45.854 43.700 35.519 1.00 0.00 WT1 O ATOM 23432 H1 TIP3 8041 44.912 43.847 35.602 1.00 0.00 WT1 H ATOM 23433 H2 TIP3 8041 46.034 43.817 34.586 1.00 0.00 WT1 H ATOM 23434 OH2 TIP3 8042 29.876 38.595 -1.908 1.00 0.00 WT1 O ATOM 23435 H1 TIP3 8042 29.106 38.779 -1.370 1.00 0.00 WT1 H ATOM 23436 H2 TIP3 8042 30.335 39.433 -1.965 1.00 0.00 WT1 H ATOM 23437 OH2 TIP3 8043 58.897 25.328 31.215 1.00 0.00 WT1 O ATOM 23438 H1 TIP3 8043 59.312 24.633 31.726 1.00 0.00 WT1 H ATOM 23439 H2 TIP3 8043 58.905 25.002 30.315 1.00 0.00 WT1 H ATOM 23440 OH2 TIP3 8044 89.182 36.061 -19.303 1.00 0.00 WT1 O ATOM 23441 H1 TIP3 8044 89.986 36.275 -19.776 1.00 0.00 WT1 H ATOM 23442 H2 TIP3 8044 88.558 36.734 -19.574 1.00 0.00 WT1 H ATOM 23443 OH2 TIP3 8045 89.472 28.095 -15.952 1.00 0.00 WT1 O ATOM 23444 H1 TIP3 8045 88.737 27.668 -15.511 1.00 0.00 WT1 H ATOM 23445 H2 TIP3 8045 89.064 28.751 -16.518 1.00 0.00 WT1 H ATOM 23446 OH2 TIP3 8046 64.252 5.131 29.393 1.00 0.00 WT1 O ATOM 23447 H1 TIP3 8046 63.804 5.909 29.725 1.00 0.00 WT1 H ATOM 23448 H2 TIP3 8046 65.168 5.257 29.639 1.00 0.00 WT1 H ATOM 23449 OH2 TIP3 8047 56.926 88.327 66.399 1.00 0.00 WT1 O ATOM 23450 H1 TIP3 8047 57.768 88.008 66.725 1.00 0.00 WT1 H ATOM 23451 H2 TIP3 8047 57.108 88.610 65.503 1.00 0.00 WT1 H ATOM 23452 OH2 TIP3 8049 66.389 81.035 43.326 1.00 0.00 WT1 O ATOM 23453 H1 TIP3 8049 66.428 80.163 42.932 1.00 0.00 WT1 H ATOM 23454 H2 TIP3 8049 65.887 80.912 44.132 1.00 0.00 WT1 H ATOM 23455 OH2 TIP3 8050 68.663 26.041 -9.058 1.00 0.00 WT1 O ATOM 23456 H1 TIP3 8050 68.995 25.354 -9.637 1.00 0.00 WT1 H ATOM 23457 H2 TIP3 8050 68.075 25.584 -8.456 1.00 0.00 WT1 H ATOM 23458 OH2 TIP3 8051 81.575 65.812 29.158 1.00 0.00 WT1 O ATOM 23459 H1 TIP3 8051 80.844 65.947 28.555 1.00 0.00 WT1 H ATOM 23460 H2 TIP3 8051 81.178 65.846 30.028 1.00 0.00 WT1 H ATOM 23461 OH2 TIP3 8052 31.583 71.841 -12.390 1.00 0.00 WT1 O ATOM 23462 H1 TIP3 8052 32.190 72.388 -12.887 1.00 0.00 WT1 H ATOM 23463 H2 TIP3 8052 32.039 71.005 -12.291 1.00 0.00 WT1 H ATOM 23464 OH2 TIP3 8053 77.732 47.977 21.705 1.00 0.00 WT1 O ATOM 23465 H1 TIP3 8053 76.895 47.983 22.169 1.00 0.00 WT1 H ATOM 23466 H2 TIP3 8053 77.571 48.489 20.912 1.00 0.00 WT1 H ATOM 23467 OH2 TIP3 8054 78.435 83.573 34.124 1.00 0.00 WT1 O ATOM 23468 H1 TIP3 8054 77.920 84.113 33.524 1.00 0.00 WT1 H ATOM 23469 H2 TIP3 8054 78.810 84.195 34.747 1.00 0.00 WT1 H ATOM 23470 OH2 TIP3 8055 45.516 83.774 28.336 1.00 0.00 WT1 O ATOM 23471 H1 TIP3 8055 45.092 84.382 28.941 1.00 0.00 WT1 H ATOM 23472 H2 TIP3 8055 45.831 83.062 28.893 1.00 0.00 WT1 H ATOM 23473 OH2 TIP3 8056 34.471 44.662 27.951 1.00 0.00 WT1 O ATOM 23474 H1 TIP3 8056 35.168 44.767 28.599 1.00 0.00 WT1 H ATOM 23475 H2 TIP3 8056 34.375 43.715 27.853 1.00 0.00 WT1 H ATOM 23476 OH2 TIP3 8057 79.364 48.030 65.297 1.00 0.00 WT1 O ATOM 23477 H1 TIP3 8057 79.198 47.392 64.603 1.00 0.00 WT1 H ATOM 23478 H2 TIP3 8057 78.603 48.610 65.277 1.00 0.00 WT1 H ATOM 23479 OH2 TIP3 8058 26.096 63.566 16.401 1.00 0.00 WT1 O ATOM 23480 H1 TIP3 8058 25.866 63.564 17.330 1.00 0.00 WT1 H ATOM 23481 H2 TIP3 8058 26.583 64.381 16.277 1.00 0.00 WT1 H ATOM 23482 OH2 TIP3 8059 55.685 5.286 63.024 1.00 0.00 WT1 O ATOM 23483 H1 TIP3 8059 56.301 5.783 63.563 1.00 0.00 WT1 H ATOM 23484 H2 TIP3 8059 56.189 4.532 62.717 1.00 0.00 WT1 H ATOM 23485 OH2 TIP3 8060 63.167 34.290 52.170 1.00 0.00 WT1 O ATOM 23486 H1 TIP3 8060 63.318 33.956 53.054 1.00 0.00 WT1 H ATOM 23487 H2 TIP3 8060 62.232 34.496 52.148 1.00 0.00 WT1 H ATOM 23488 OH2 TIP3 8061 31.297 48.345 -13.695 1.00 0.00 WT1 O ATOM 23489 H1 TIP3 8061 30.753 49.131 -13.649 1.00 0.00 WT1 H ATOM 23490 H2 TIP3 8061 31.770 48.332 -12.862 1.00 0.00 WT1 H ATOM 23491 OH2 TIP3 8062 50.656 88.670 21.804 1.00 0.00 WT1 O ATOM 23492 H1 TIP3 8062 49.805 88.874 21.416 1.00 0.00 WT1 H ATOM 23493 H2 TIP3 8062 50.661 89.148 22.634 1.00 0.00 WT1 H ATOM 23494 OH2 TIP3 8063 66.085 76.600 41.022 1.00 0.00 WT1 O ATOM 23495 H1 TIP3 8063 66.403 77.080 41.787 1.00 0.00 WT1 H ATOM 23496 H2 TIP3 8063 66.607 76.938 40.293 1.00 0.00 WT1 H ATOM 23497 OH2 TIP3 8064 58.258 71.064 -14.473 1.00 0.00 WT1 O ATOM 23498 H1 TIP3 8064 57.380 70.730 -14.660 1.00 0.00 WT1 H ATOM 23499 H2 TIP3 8064 58.422 70.812 -13.565 1.00 0.00 WT1 H ATOM 23500 OH2 TIP3 8065 53.204 32.363 -3.860 1.00 0.00 WT1 O ATOM 23501 H1 TIP3 8065 53.063 32.659 -4.759 1.00 0.00 WT1 H ATOM 23502 H2 TIP3 8065 53.728 33.055 -3.458 1.00 0.00 WT1 H ATOM 23503 OH2 TIP3 8066 33.043 34.952 31.327 1.00 0.00 WT1 O ATOM 23504 H1 TIP3 8066 32.294 34.680 30.797 1.00 0.00 WT1 H ATOM 23505 H2 TIP3 8066 33.262 35.826 31.002 1.00 0.00 WT1 H ATOM 23506 OH2 TIP3 8067 73.877 40.518 7.664 1.00 0.00 WT1 O ATOM 23507 H1 TIP3 8067 73.991 41.456 7.510 1.00 0.00 WT1 H ATOM 23508 H2 TIP3 8067 73.955 40.420 8.613 1.00 0.00 WT1 H ATOM 23509 OH2 TIP3 8068 31.363 61.003 23.995 1.00 0.00 WT1 O ATOM 23510 H1 TIP3 8068 32.092 60.554 24.423 1.00 0.00 WT1 H ATOM 23511 H2 TIP3 8068 31.529 61.933 24.150 1.00 0.00 WT1 H ATOM 23512 OH2 TIP3 8069 70.771 21.425 11.010 1.00 0.00 WT1 O ATOM 23513 H1 TIP3 8069 70.839 22.362 11.193 1.00 0.00 WT1 H ATOM 23514 H2 TIP3 8069 69.917 21.172 11.360 1.00 0.00 WT1 H ATOM 23515 OH2 TIP3 8070 55.444 24.054 -14.147 1.00 0.00 WT1 O ATOM 23516 H1 TIP3 8070 56.060 23.876 -13.436 1.00 0.00 WT1 H ATOM 23517 H2 TIP3 8070 55.617 23.368 -14.792 1.00 0.00 WT1 H ATOM 23518 OH2 TIP3 8071 25.423 35.746 -17.158 1.00 0.00 WT1 O ATOM 23519 H1 TIP3 8071 26.328 35.445 -17.244 1.00 0.00 WT1 H ATOM 23520 H2 TIP3 8071 25.138 35.408 -16.309 1.00 0.00 WT1 H ATOM 23521 OH2 TIP3 8072 82.792 34.848 45.490 1.00 0.00 WT1 O ATOM 23522 H1 TIP3 8072 83.063 34.756 44.577 1.00 0.00 WT1 H ATOM 23523 H2 TIP3 8072 83.612 34.930 45.977 1.00 0.00 WT1 H ATOM 23524 OH2 TIP3 8073 62.559 36.178 34.292 1.00 0.00 WT1 O ATOM 23525 H1 TIP3 8073 61.755 35.720 34.048 1.00 0.00 WT1 H ATOM 23526 H2 TIP3 8073 62.258 36.985 34.709 1.00 0.00 WT1 H ATOM 23527 OH2 TIP3 8074 56.854 52.812 56.642 1.00 0.00 WT1 O ATOM 23528 H1 TIP3 8074 55.966 52.473 56.524 1.00 0.00 WT1 H ATOM 23529 H2 TIP3 8074 57.278 52.176 57.219 1.00 0.00 WT1 H ATOM 23530 OH2 TIP3 8075 35.085 61.944 -15.097 1.00 0.00 WT1 O ATOM 23531 H1 TIP3 8075 36.026 62.113 -15.151 1.00 0.00 WT1 H ATOM 23532 H2 TIP3 8075 34.919 61.294 -15.780 1.00 0.00 WT1 H ATOM 23533 OH2 TIP3 8076 43.989 45.884 29.557 1.00 0.00 WT1 O ATOM 23534 H1 TIP3 8076 44.465 45.684 28.751 1.00 0.00 WT1 H ATOM 23535 H2 TIP3 8076 43.418 46.616 29.324 1.00 0.00 WT1 H ATOM 23536 OH2 TIP3 8077 78.156 18.024 66.887 1.00 0.00 WT1 O ATOM 23537 H1 TIP3 8077 78.841 17.452 67.232 1.00 0.00 WT1 H ATOM 23538 H2 TIP3 8077 78.300 18.027 65.940 1.00 0.00 WT1 H ATOM 23539 OH2 TIP3 8078 86.144 61.039 34.797 1.00 0.00 WT1 O ATOM 23540 H1 TIP3 8078 85.807 61.077 33.902 1.00 0.00 WT1 H ATOM 23541 H2 TIP3 8078 85.763 61.803 35.230 1.00 0.00 WT1 H ATOM 23542 OH2 TIP3 8079 69.141 80.160 6.108 1.00 0.00 WT1 O ATOM 23543 H1 TIP3 8079 68.727 79.299 6.172 1.00 0.00 WT1 H ATOM 23544 H2 TIP3 8079 68.424 80.782 6.230 1.00 0.00 WT1 H ATOM 23545 OH2 TIP3 8080 69.173 42.412 23.074 1.00 0.00 WT1 O ATOM 23546 H1 TIP3 8080 69.131 42.942 22.278 1.00 0.00 WT1 H ATOM 23547 H2 TIP3 8080 68.258 42.237 23.294 1.00 0.00 WT1 H ATOM 23548 OH2 TIP3 8081 75.405 45.456 23.632 1.00 0.00 WT1 O ATOM 23549 H1 TIP3 8081 75.312 46.129 22.958 1.00 0.00 WT1 H ATOM 23550 H2 TIP3 8081 75.824 44.722 23.182 1.00 0.00 WT1 H ATOM 23551 OH2 TIP3 8082 40.450 16.942 63.606 1.00 0.00 WT1 O ATOM 23552 H1 TIP3 8082 39.782 16.287 63.808 1.00 0.00 WT1 H ATOM 23553 H2 TIP3 8082 41.077 16.482 63.048 1.00 0.00 WT1 H ATOM 23554 OH2 TIP3 8083 73.154 82.621 32.887 1.00 0.00 WT1 O ATOM 23555 H1 TIP3 8083 73.757 82.853 33.594 1.00 0.00 WT1 H ATOM 23556 H2 TIP3 8083 72.993 81.685 33.007 1.00 0.00 WT1 H ATOM 23557 OH2 TIP3 8084 57.266 26.148 33.127 1.00 0.00 WT1 O ATOM 23558 H1 TIP3 8084 57.861 25.563 32.659 1.00 0.00 WT1 H ATOM 23559 H2 TIP3 8084 56.499 26.217 32.558 1.00 0.00 WT1 H ATOM 23560 OH2 TIP3 8085 64.113 22.282 15.512 1.00 0.00 WT1 O ATOM 23561 H1 TIP3 8085 63.592 22.458 14.729 1.00 0.00 WT1 H ATOM 23562 H2 TIP3 8085 63.777 22.895 16.166 1.00 0.00 WT1 H ATOM 23563 OH2 TIP3 8086 66.869 96.001 64.165 1.00 0.00 WT1 O ATOM 23564 H1 TIP3 8086 65.920 96.119 64.197 1.00 0.00 WT1 H ATOM 23565 H2 TIP3 8086 67.194 96.462 64.938 1.00 0.00 WT1 H ATOM 23566 OH2 TIP3 8087 69.089 42.531 41.761 1.00 0.00 WT1 O ATOM 23567 H1 TIP3 8087 69.108 42.922 40.888 1.00 0.00 WT1 H ATOM 23568 H2 TIP3 8087 69.917 42.799 42.161 1.00 0.00 WT1 H ATOM 23569 OH2 TIP3 8088 32.182 88.723 -6.753 1.00 0.00 WT1 O ATOM 23570 H1 TIP3 8088 31.599 87.964 -6.737 1.00 0.00 WT1 H ATOM 23571 H2 TIP3 8088 32.842 88.533 -6.086 1.00 0.00 WT1 H ATOM 23572 OH2 TIP3 8089 26.387 19.412 35.749 1.00 0.00 WT1 O ATOM 23573 H1 TIP3 8089 25.650 18.805 35.690 1.00 0.00 WT1 H ATOM 23574 H2 TIP3 8089 27.086 18.902 36.159 1.00 0.00 WT1 H ATOM 23575 OH2 TIP3 8090 82.200 37.158 -15.903 1.00 0.00 WT1 O ATOM 23576 H1 TIP3 8090 81.942 36.695 -16.700 1.00 0.00 WT1 H ATOM 23577 H2 TIP3 8090 81.425 37.665 -15.659 1.00 0.00 WT1 H ATOM 23578 OH2 TIP3 8091 46.453 44.854 13.653 1.00 0.00 WT1 O ATOM 23579 H1 TIP3 8091 47.158 44.220 13.785 1.00 0.00 WT1 H ATOM 23580 H2 TIP3 8091 46.384 45.313 14.490 1.00 0.00 WT1 H ATOM 23581 OH2 TIP3 8092 27.596 74.284 9.563 1.00 0.00 WT1 O ATOM 23582 H1 TIP3 8092 28.417 74.742 9.740 1.00 0.00 WT1 H ATOM 23583 H2 TIP3 8092 27.541 73.616 10.247 1.00 0.00 WT1 H ATOM 23584 OH2 TIP3 8093 61.052 7.217 27.854 1.00 0.00 WT1 O ATOM 23585 H1 TIP3 8093 60.891 6.365 27.450 1.00 0.00 WT1 H ATOM 23586 H2 TIP3 8093 61.967 7.411 27.650 1.00 0.00 WT1 H ATOM 23587 OH2 TIP3 8094 20.258 71.702 25.898 1.00 0.00 WT1 O ATOM 23588 H1 TIP3 8094 21.074 71.389 25.507 1.00 0.00 WT1 H ATOM 23589 H2 TIP3 8094 19.920 70.949 26.383 1.00 0.00 WT1 H ATOM 23590 OH2 TIP3 8095 33.227 74.787 22.615 1.00 0.00 WT1 O ATOM 23591 H1 TIP3 8095 34.035 74.762 22.101 1.00 0.00 WT1 H ATOM 23592 H2 TIP3 8095 32.651 75.375 22.126 1.00 0.00 WT1 H ATOM 23593 OH2 TIP3 8096 85.920 62.048 43.295 1.00 0.00 WT1 O ATOM 23594 H1 TIP3 8096 86.854 62.093 43.088 1.00 0.00 WT1 H ATOM 23595 H2 TIP3 8096 85.831 61.262 43.833 1.00 0.00 WT1 H ATOM 23596 OH2 TIP3 8097 45.931 1.108 57.958 1.00 0.00 WT1 O ATOM 23597 H1 TIP3 8097 46.040 0.281 57.488 1.00 0.00 WT1 H ATOM 23598 H2 TIP3 8097 45.981 0.867 58.883 1.00 0.00 WT1 H ATOM 23599 OH2 TIP3 8098 77.416 41.048 58.022 1.00 0.00 WT1 O ATOM 23600 H1 TIP3 8098 76.778 40.516 57.546 1.00 0.00 WT1 H ATOM 23601 H2 TIP3 8098 77.682 41.721 57.395 1.00 0.00 WT1 H ATOM 23602 OH2 TIP3 8099 26.320 86.235 32.645 1.00 0.00 WT1 O ATOM 23603 H1 TIP3 8099 25.601 86.273 33.275 1.00 0.00 WT1 H ATOM 23604 H2 TIP3 8099 26.776 85.418 32.852 1.00 0.00 WT1 H ATOM 23605 OH2 TIP3 8100 85.322 42.370 41.053 1.00 0.00 WT1 O ATOM 23606 H1 TIP3 8100 84.529 42.615 41.530 1.00 0.00 WT1 H ATOM 23607 H2 TIP3 8100 85.939 42.102 41.734 1.00 0.00 WT1 H ATOM 23608 OH2 TIP3 8101 48.415 37.219 -15.653 1.00 0.00 WT1 O ATOM 23609 H1 TIP3 8101 49.103 37.865 -15.495 1.00 0.00 WT1 H ATOM 23610 H2 TIP3 8101 48.779 36.640 -16.323 1.00 0.00 WT1 H ATOM 23611 OH2 TIP3 8102 69.258 16.212 -6.491 1.00 0.00 WT1 O ATOM 23612 H1 TIP3 8102 68.831 16.530 -5.695 1.00 0.00 WT1 H ATOM 23613 H2 TIP3 8102 70.188 16.394 -6.353 1.00 0.00 WT1 H ATOM 23614 OH2 TIP3 8103 63.827 66.645 -3.893 1.00 0.00 WT1 O ATOM 23615 H1 TIP3 8103 62.897 66.692 -3.672 1.00 0.00 WT1 H ATOM 23616 H2 TIP3 8103 64.170 65.944 -3.340 1.00 0.00 WT1 H ATOM 23617 OH2 TIP3 8104 72.266 81.976 29.891 1.00 0.00 WT1 O ATOM 23618 H1 TIP3 8104 71.419 82.421 29.915 1.00 0.00 WT1 H ATOM 23619 H2 TIP3 8104 72.399 81.663 30.786 1.00 0.00 WT1 H ATOM 23620 OH2 TIP3 8105 69.158 44.183 20.905 1.00 0.00 WT1 O ATOM 23621 H1 TIP3 8105 69.090 45.002 21.397 1.00 0.00 WT1 H ATOM 23622 H2 TIP3 8105 68.267 44.011 20.601 1.00 0.00 WT1 H ATOM 23623 OH2 TIP3 8106 67.494 25.169 3.978 1.00 0.00 WT1 O ATOM 23624 H1 TIP3 8106 68.125 25.884 3.905 1.00 0.00 WT1 H ATOM 23625 H2 TIP3 8106 66.664 25.601 4.183 1.00 0.00 WT1 H ATOM 23626 OH2 TIP3 8107 33.939 24.175 58.272 1.00 0.00 WT1 O ATOM 23627 H1 TIP3 8107 34.634 24.422 57.662 1.00 0.00 WT1 H ATOM 23628 H2 TIP3 8107 34.353 24.206 59.134 1.00 0.00 WT1 H ATOM 23629 OH2 TIP3 8108 33.533 39.063 53.129 1.00 0.00 WT1 O ATOM 23630 H1 TIP3 8108 33.585 38.197 53.534 1.00 0.00 WT1 H ATOM 23631 H2 TIP3 8108 34.307 39.111 52.567 1.00 0.00 WT1 H ATOM 23632 OH2 TIP3 8109 33.326 5.107 51.056 1.00 0.00 WT1 O ATOM 23633 H1 TIP3 8109 33.641 5.638 50.324 1.00 0.00 WT1 H ATOM 23634 H2 TIP3 8109 32.594 4.608 50.691 1.00 0.00 WT1 H ATOM 23635 OH2 TIP3 8110 21.352 31.184 36.409 1.00 0.00 WT1 O ATOM 23636 H1 TIP3 8110 20.994 30.467 35.886 1.00 0.00 WT1 H ATOM 23637 H2 TIP3 8110 21.801 31.742 35.774 1.00 0.00 WT1 H ATOM 23638 OH2 TIP3 8111 83.051 29.965 42.495 1.00 0.00 WT1 O ATOM 23639 H1 TIP3 8111 82.306 29.982 41.895 1.00 0.00 WT1 H ATOM 23640 H2 TIP3 8111 82.708 29.564 43.294 1.00 0.00 WT1 H ATOM 23641 OH2 TIP3 8112 50.846 91.458 37.831 1.00 0.00 WT1 O ATOM 23642 H1 TIP3 8112 50.719 92.264 37.332 1.00 0.00 WT1 H ATOM 23643 H2 TIP3 8112 49.963 91.110 37.955 1.00 0.00 WT1 H ATOM 23644 OH2 TIP3 8113 30.459 22.301 40.924 1.00 0.00 WT1 O ATOM 23645 H1 TIP3 8113 30.305 22.201 39.984 1.00 0.00 WT1 H ATOM 23646 H2 TIP3 8113 29.876 23.012 41.188 1.00 0.00 WT1 H ATOM 23647 OH2 TIP3 8114 48.530 87.921 24.639 1.00 0.00 WT1 O ATOM 23648 H1 TIP3 8114 48.669 87.611 23.744 1.00 0.00 WT1 H ATOM 23649 H2 TIP3 8114 49.095 87.365 25.176 1.00 0.00 WT1 H ATOM 23650 OH2 TIP3 8116 53.614 15.218 -6.831 1.00 0.00 WT1 O ATOM 23651 H1 TIP3 8116 53.125 15.411 -6.031 1.00 0.00 WT1 H ATOM 23652 H2 TIP3 8116 54.299 14.610 -6.552 1.00 0.00 WT1 H ATOM 23653 OH2 TIP3 8117 29.960 63.503 60.211 1.00 0.00 WT1 O ATOM 23654 H1 TIP3 8117 30.452 62.682 60.180 1.00 0.00 WT1 H ATOM 23655 H2 TIP3 8117 29.208 63.311 60.772 1.00 0.00 WT1 H ATOM 23656 OH2 TIP3 8118 84.487 33.351 -0.166 1.00 0.00 WT1 O ATOM 23657 H1 TIP3 8118 85.243 33.809 0.201 1.00 0.00 WT1 H ATOM 23658 H2 TIP3 8118 83.759 33.961 -0.054 1.00 0.00 WT1 H ATOM 23659 OH2 TIP3 8119 67.762 35.298 6.680 1.00 0.00 WT1 O ATOM 23660 H1 TIP3 8119 67.239 35.703 5.987 1.00 0.00 WT1 H ATOM 23661 H2 TIP3 8119 68.078 36.035 7.203 1.00 0.00 WT1 H ATOM 23662 OH2 TIP3 8120 41.482 73.333 17.593 1.00 0.00 WT1 O ATOM 23663 H1 TIP3 8120 41.614 72.574 17.024 1.00 0.00 WT1 H ATOM 23664 H2 TIP3 8120 42.349 73.730 17.669 1.00 0.00 WT1 H ATOM 23665 OH2 TIP3 8121 56.766 41.203 52.148 1.00 0.00 WT1 O ATOM 23666 H1 TIP3 8121 55.993 41.462 51.648 1.00 0.00 WT1 H ATOM 23667 H2 TIP3 8121 57.260 40.639 51.553 1.00 0.00 WT1 H ATOM 23668 OH2 TIP3 8122 63.947 46.526 -10.551 1.00 0.00 WT1 O ATOM 23669 H1 TIP3 8122 63.006 46.583 -10.385 1.00 0.00 WT1 H ATOM 23670 H2 TIP3 8122 64.046 45.749 -11.103 1.00 0.00 WT1 H ATOM 23671 OH2 TIP3 8123 76.897 24.554 64.970 1.00 0.00 WT1 O ATOM 23672 H1 TIP3 8123 76.657 25.463 64.791 1.00 0.00 WT1 H ATOM 23673 H2 TIP3 8123 76.855 24.478 65.923 1.00 0.00 WT1 H ATOM 23674 OH2 TIP3 8124 36.416 30.077 62.347 1.00 0.00 WT1 O ATOM 23675 H1 TIP3 8124 35.766 30.642 62.765 1.00 0.00 WT1 H ATOM 23676 H2 TIP3 8124 36.104 29.188 62.513 1.00 0.00 WT1 H ATOM 23677 OH2 TIP3 8125 26.802 -0.024 14.561 1.00 0.00 WT1 O ATOM 23678 H1 TIP3 8125 27.662 -0.012 14.980 1.00 0.00 WT1 H ATOM 23679 H2 TIP3 8125 26.621 0.893 14.358 1.00 0.00 WT1 H ATOM 23680 OH2 TIP3 8126 88.024 14.911 64.493 1.00 0.00 WT1 O ATOM 23681 H1 TIP3 8126 88.351 15.588 65.086 1.00 0.00 WT1 H ATOM 23682 H2 TIP3 8126 88.247 14.086 64.924 1.00 0.00 WT1 H ATOM 23683 OH2 TIP3 8127 25.755 25.686 7.122 1.00 0.00 WT1 O ATOM 23684 H1 TIP3 8127 25.217 25.660 7.913 1.00 0.00 WT1 H ATOM 23685 H2 TIP3 8127 25.666 26.583 6.800 1.00 0.00 WT1 H ATOM 23686 OH2 TIP3 8128 90.471 41.647 7.673 1.00 0.00 WT1 O ATOM 23687 H1 TIP3 8128 89.664 41.880 8.132 1.00 0.00 WT1 H ATOM 23688 H2 TIP3 8128 91.120 42.272 7.995 1.00 0.00 WT1 H ATOM 23689 OH2 TIP3 8129 71.282 32.559 33.216 1.00 0.00 WT1 O ATOM 23690 H1 TIP3 8129 70.480 32.050 33.095 1.00 0.00 WT1 H ATOM 23691 H2 TIP3 8129 71.062 33.434 32.897 1.00 0.00 WT1 H ATOM 23692 OH2 TIP3 8130 23.474 73.539 42.961 1.00 0.00 WT1 O ATOM 23693 H1 TIP3 8130 24.004 73.446 43.752 1.00 0.00 WT1 H ATOM 23694 H2 TIP3 8130 23.683 72.764 42.440 1.00 0.00 WT1 H ATOM 23695 OH2 TIP3 8131 81.785 32.738 64.378 1.00 0.00 WT1 O ATOM 23696 H1 TIP3 8131 82.299 33.523 64.187 1.00 0.00 WT1 H ATOM 23697 H2 TIP3 8131 82.396 32.013 64.248 1.00 0.00 WT1 H ATOM 23698 OH2 TIP3 8132 65.435 37.882 30.521 1.00 0.00 WT1 O ATOM 23699 H1 TIP3 8132 65.961 38.624 30.224 1.00 0.00 WT1 H ATOM 23700 H2 TIP3 8132 64.767 38.272 31.085 1.00 0.00 WT1 H ATOM 23701 OH2 TIP3 8133 60.888 6.300 -12.620 1.00 0.00 WT1 O ATOM 23702 H1 TIP3 8133 61.131 5.689 -11.924 1.00 0.00 WT1 H ATOM 23703 H2 TIP3 8133 61.719 6.666 -12.920 1.00 0.00 WT1 H ATOM 23704 OH2 TIP3 8134 51.741 41.521 -2.624 1.00 0.00 WT1 O ATOM 23705 H1 TIP3 8134 51.854 40.705 -2.137 1.00 0.00 WT1 H ATOM 23706 H2 TIP3 8134 51.617 42.189 -1.949 1.00 0.00 WT1 H ATOM 23707 OH2 TIP3 8135 75.584 63.420 17.611 1.00 0.00 WT1 O ATOM 23708 H1 TIP3 8135 74.676 63.261 17.867 1.00 0.00 WT1 H ATOM 23709 H2 TIP3 8135 75.689 62.940 16.789 1.00 0.00 WT1 H ATOM 23710 OH2 TIP3 8136 81.257 91.140 -11.980 1.00 0.00 WT1 O ATOM 23711 H1 TIP3 8136 82.112 91.466 -12.263 1.00 0.00 WT1 H ATOM 23712 H2 TIP3 8136 80.982 90.548 -12.680 1.00 0.00 WT1 H ATOM 23713 OH2 TIP3 8137 86.246 55.781 52.277 1.00 0.00 WT1 O ATOM 23714 H1 TIP3 8137 86.909 55.445 51.675 1.00 0.00 WT1 H ATOM 23715 H2 TIP3 8137 85.898 55.001 52.710 1.00 0.00 WT1 H ATOM 23716 OH2 TIP3 8138 35.447 75.545 59.414 1.00 0.00 WT1 O ATOM 23717 H1 TIP3 8138 35.935 75.852 58.650 1.00 0.00 WT1 H ATOM 23718 H2 TIP3 8138 35.488 74.590 59.357 1.00 0.00 WT1 H ATOM 23719 OH2 TIP3 8139 66.024 7.894 34.751 1.00 0.00 WT1 O ATOM 23720 H1 TIP3 8139 65.679 7.498 35.552 1.00 0.00 WT1 H ATOM 23721 H2 TIP3 8139 66.916 8.157 34.978 1.00 0.00 WT1 H ATOM 23722 OH2 TIP3 8140 38.455 28.168 41.269 1.00 0.00 WT1 O ATOM 23723 H1 TIP3 8140 38.558 27.220 41.354 1.00 0.00 WT1 H ATOM 23724 H2 TIP3 8140 39.009 28.404 40.525 1.00 0.00 WT1 H ATOM 23725 OH2 TIP3 8141 38.327 82.225 38.649 1.00 0.00 WT1 O ATOM 23726 H1 TIP3 8141 38.341 82.934 38.006 1.00 0.00 WT1 H ATOM 23727 H2 TIP3 8141 39.225 81.895 38.664 1.00 0.00 WT1 H ATOM 23728 OH2 TIP3 8142 77.973 39.980 -9.280 1.00 0.00 WT1 O ATOM 23729 H1 TIP3 8142 77.086 40.038 -9.635 1.00 0.00 WT1 H ATOM 23730 H2 TIP3 8142 77.988 39.149 -8.807 1.00 0.00 WT1 H ATOM 23731 OH2 TIP3 8143 84.038 19.633 39.478 1.00 0.00 WT1 O ATOM 23732 H1 TIP3 8143 84.038 20.433 38.953 1.00 0.00 WT1 H ATOM 23733 H2 TIP3 8143 84.264 19.926 40.361 1.00 0.00 WT1 H ATOM 23734 OH2 TIP3 8144 90.271 11.220 7.508 1.00 0.00 WT1 O ATOM 23735 H1 TIP3 8144 89.992 10.316 7.655 1.00 0.00 WT1 H ATOM 23736 H2 TIP3 8144 90.772 11.446 8.291 1.00 0.00 WT1 H ATOM 23737 OH2 TIP3 8145 60.216 64.921 38.518 1.00 0.00 WT1 O ATOM 23738 H1 TIP3 8145 60.443 64.282 37.843 1.00 0.00 WT1 H ATOM 23739 H2 TIP3 8145 59.612 65.523 38.084 1.00 0.00 WT1 H ATOM 23740 OH2 TIP3 8146 37.135 15.063 10.545 1.00 0.00 WT1 O ATOM 23741 H1 TIP3 8146 37.355 15.139 9.616 1.00 0.00 WT1 H ATOM 23742 H2 TIP3 8146 37.901 14.648 10.940 1.00 0.00 WT1 H ATOM 23743 OH2 TIP3 8147 31.754 87.306 53.247 1.00 0.00 WT1 O ATOM 23744 H1 TIP3 8147 31.008 87.766 53.632 1.00 0.00 WT1 H ATOM 23745 H2 TIP3 8147 32.504 87.581 53.776 1.00 0.00 WT1 H ATOM 23746 OH2 TIP3 8148 72.127 47.799 -13.914 1.00 0.00 WT1 O ATOM 23747 H1 TIP3 8148 72.674 48.091 -13.184 1.00 0.00 WT1 H ATOM 23748 H2 TIP3 8148 72.744 47.642 -14.628 1.00 0.00 WT1 H ATOM 23749 OH2 TIP3 8149 46.538 31.913 60.915 1.00 0.00 WT1 O ATOM 23750 H1 TIP3 8149 45.888 32.610 60.817 1.00 0.00 WT1 H ATOM 23751 H2 TIP3 8149 46.028 31.146 61.176 1.00 0.00 WT1 H ATOM 23752 OH2 TIP3 8150 62.266 81.038 -3.110 1.00 0.00 WT1 O ATOM 23753 H1 TIP3 8150 61.471 81.401 -3.502 1.00 0.00 WT1 H ATOM 23754 H2 TIP3 8150 61.966 80.268 -2.628 1.00 0.00 WT1 H ATOM 23755 OH2 TIP3 8151 69.931 73.791 45.627 1.00 0.00 WT1 O ATOM 23756 H1 TIP3 8151 70.867 73.854 45.435 1.00 0.00 WT1 H ATOM 23757 H2 TIP3 8151 69.551 73.396 44.842 1.00 0.00 WT1 H ATOM 23758 OH2 TIP3 8152 67.319 45.351 39.879 1.00 0.00 WT1 O ATOM 23759 H1 TIP3 8152 66.785 45.386 39.085 1.00 0.00 WT1 H ATOM 23760 H2 TIP3 8152 67.271 46.237 40.239 1.00 0.00 WT1 H ATOM 23761 OH2 TIP3 8153 75.835 19.180 8.275 1.00 0.00 WT1 O ATOM 23762 H1 TIP3 8153 76.192 18.406 8.711 1.00 0.00 WT1 H ATOM 23763 H2 TIP3 8153 75.004 19.345 8.721 1.00 0.00 WT1 H ATOM 23764 OH2 TIP3 8154 82.777 27.863 40.076 1.00 0.00 WT1 O ATOM 23765 H1 TIP3 8154 82.399 27.512 39.269 1.00 0.00 WT1 H ATOM 23766 H2 TIP3 8154 83.044 28.753 39.848 1.00 0.00 WT1 H ATOM 23767 OH2 TIP3 8155 29.256 23.308 20.877 1.00 0.00 WT1 O ATOM 23768 H1 TIP3 8155 28.690 24.069 21.006 1.00 0.00 WT1 H ATOM 23769 H2 TIP3 8155 29.803 23.281 21.662 1.00 0.00 WT1 H ATOM 23770 OH2 TIP3 8156 60.320 32.078 14.185 1.00 0.00 WT1 O ATOM 23771 H1 TIP3 8156 60.193 31.193 13.843 1.00 0.00 WT1 H ATOM 23772 H2 TIP3 8156 59.464 32.327 14.533 1.00 0.00 WT1 H ATOM 23773 OH2 TIP3 8157 63.045 57.220 -5.824 1.00 0.00 WT1 O ATOM 23774 H1 TIP3 8157 63.896 57.659 -5.820 1.00 0.00 WT1 H ATOM 23775 H2 TIP3 8157 62.936 56.900 -4.929 1.00 0.00 WT1 H ATOM 23776 OH2 TIP3 8158 21.773 34.076 -14.322 1.00 0.00 WT1 O ATOM 23777 H1 TIP3 8158 20.836 33.888 -14.382 1.00 0.00 WT1 H ATOM 23778 H2 TIP3 8158 21.818 35.015 -14.147 1.00 0.00 WT1 H ATOM 23779 OH2 TIP3 8159 47.491 12.462 40.746 1.00 0.00 WT1 O ATOM 23780 H1 TIP3 8159 48.283 12.998 40.711 1.00 0.00 WT1 H ATOM 23781 H2 TIP3 8159 46.945 12.794 40.034 1.00 0.00 WT1 H ATOM 23782 OH2 TIP3 8160 58.126 44.562 66.911 1.00 0.00 WT1 O ATOM 23783 H1 TIP3 8160 58.944 44.270 66.509 1.00 0.00 WT1 H ATOM 23784 H2 TIP3 8160 57.978 45.435 66.547 1.00 0.00 WT1 H ATOM 23785 OH2 TIP3 8162 60.042 11.192 30.701 1.00 0.00 WT1 O ATOM 23786 H1 TIP3 8162 59.893 11.085 29.762 1.00 0.00 WT1 H ATOM 23787 H2 TIP3 8162 59.619 12.022 30.919 1.00 0.00 WT1 H ATOM 23788 OH2 TIP3 8163 70.164 25.724 21.254 1.00 0.00 WT1 O ATOM 23789 H1 TIP3 8163 69.290 25.700 21.643 1.00 0.00 WT1 H ATOM 23790 H2 TIP3 8163 70.021 26.039 20.362 1.00 0.00 WT1 H ATOM 23791 OH2 TIP3 8164 66.209 30.830 64.708 1.00 0.00 WT1 O ATOM 23792 H1 TIP3 8164 66.912 31.476 64.631 1.00 0.00 WT1 H ATOM 23793 H2 TIP3 8164 65.479 31.315 65.092 1.00 0.00 WT1 H ATOM 23794 OH2 TIP3 8165 64.492 15.552 -6.814 1.00 0.00 WT1 O ATOM 23795 H1 TIP3 8165 64.386 16.424 -6.435 1.00 0.00 WT1 H ATOM 23796 H2 TIP3 8165 64.611 15.710 -7.750 1.00 0.00 WT1 H ATOM 23797 OH2 TIP3 8166 35.621 47.275 -17.631 1.00 0.00 WT1 O ATOM 23798 H1 TIP3 8166 35.399 47.863 -16.909 1.00 0.00 WT1 H ATOM 23799 H2 TIP3 8166 36.543 47.458 -17.815 1.00 0.00 WT1 H ATOM 23800 OH2 TIP3 8167 30.037 29.204 17.887 1.00 0.00 WT1 O ATOM 23801 H1 TIP3 8167 30.112 28.261 17.738 1.00 0.00 WT1 H ATOM 23802 H2 TIP3 8167 29.203 29.308 18.346 1.00 0.00 WT1 H ATOM 23803 OH2 TIP3 8168 64.379 73.694 66.974 1.00 0.00 WT1 O ATOM 23804 H1 TIP3 8168 63.618 73.684 66.394 1.00 0.00 WT1 H ATOM 23805 H2 TIP3 8168 64.674 74.605 66.967 1.00 0.00 WT1 H ATOM 23806 OH2 TIP3 8169 37.370 6.588 -5.646 1.00 0.00 WT1 O ATOM 23807 H1 TIP3 8169 36.892 6.886 -4.872 1.00 0.00 WT1 H ATOM 23808 H2 TIP3 8169 37.079 7.172 -6.347 1.00 0.00 WT1 H ATOM 23809 OH2 TIP3 8170 73.882 49.853 3.759 1.00 0.00 WT1 O ATOM 23810 H1 TIP3 8170 74.129 48.943 3.926 1.00 0.00 WT1 H ATOM 23811 H2 TIP3 8170 73.405 50.120 4.545 1.00 0.00 WT1 H ATOM 23812 OH2 TIP3 8171 35.537 61.020 63.945 1.00 0.00 WT1 O ATOM 23813 H1 TIP3 8171 35.241 61.820 63.510 1.00 0.00 WT1 H ATOM 23814 H2 TIP3 8171 35.026 60.983 64.753 1.00 0.00 WT1 H ATOM 23815 OH2 TIP3 8172 77.990 27.873 -4.113 1.00 0.00 WT1 O ATOM 23816 H1 TIP3 8172 78.122 28.594 -3.497 1.00 0.00 WT1 H ATOM 23817 H2 TIP3 8172 78.855 27.474 -4.206 1.00 0.00 WT1 H ATOM 23818 OH2 TIP3 8173 76.828 58.567 64.182 1.00 0.00 WT1 O ATOM 23819 H1 TIP3 8173 76.531 57.662 64.283 1.00 0.00 WT1 H ATOM 23820 H2 TIP3 8173 76.027 59.089 64.230 1.00 0.00 WT1 H ATOM 23821 OH2 TIP3 8174 28.037 15.463 13.333 1.00 0.00 WT1 O ATOM 23822 H1 TIP3 8174 27.303 14.896 13.096 1.00 0.00 WT1 H ATOM 23823 H2 TIP3 8174 27.920 15.630 14.268 1.00 0.00 WT1 H ATOM 23824 OH2 TIP3 8175 46.132 21.270 -11.586 1.00 0.00 WT1 O ATOM 23825 H1 TIP3 8175 46.952 20.791 -11.711 1.00 0.00 WT1 H ATOM 23826 H2 TIP3 8175 45.592 20.686 -11.054 1.00 0.00 WT1 H ATOM 23827 OH2 TIP3 8176 86.708 57.922 53.707 1.00 0.00 WT1 O ATOM 23828 H1 TIP3 8176 85.945 58.163 54.232 1.00 0.00 WT1 H ATOM 23829 H2 TIP3 8176 86.382 57.257 53.101 1.00 0.00 WT1 H ATOM 23830 OH2 TIP3 8177 69.355 29.906 36.921 1.00 0.00 WT1 O ATOM 23831 H1 TIP3 8177 70.021 29.929 36.234 1.00 0.00 WT1 H ATOM 23832 H2 TIP3 8177 69.773 30.323 37.675 1.00 0.00 WT1 H ATOM 23833 OH2 TIP3 8178 45.353 91.124 41.651 1.00 0.00 WT1 O ATOM 23834 H1 TIP3 8178 45.812 90.461 41.136 1.00 0.00 WT1 H ATOM 23835 H2 TIP3 8178 44.472 90.768 41.770 1.00 0.00 WT1 H ATOM 23836 OH2 TIP3 8179 86.411 63.838 66.985 1.00 0.00 WT1 O ATOM 23837 H1 TIP3 8179 86.237 62.909 66.836 1.00 0.00 WT1 H ATOM 23838 H2 TIP3 8179 85.623 64.162 67.422 1.00 0.00 WT1 H ATOM 23839 OH2 TIP3 8180 32.060 27.655 9.726 1.00 0.00 WT1 O ATOM 23840 H1 TIP3 8180 32.931 27.965 9.972 1.00 0.00 WT1 H ATOM 23841 H2 TIP3 8180 31.493 28.418 9.836 1.00 0.00 WT1 H ATOM 23842 OH2 TIP3 8181 60.524 51.550 -11.041 1.00 0.00 WT1 O ATOM 23843 H1 TIP3 8181 60.042 50.898 -11.551 1.00 0.00 WT1 H ATOM 23844 H2 TIP3 8181 60.074 51.574 -10.197 1.00 0.00 WT1 H ATOM 23845 OH2 TIP3 8182 33.956 96.113 44.843 1.00 0.00 WT1 O ATOM 23846 H1 TIP3 8182 33.985 95.916 45.779 1.00 0.00 WT1 H ATOM 23847 H2 TIP3 8182 34.811 95.837 44.513 1.00 0.00 WT1 H ATOM 23848 OH2 TIP3 8183 76.328 40.827 50.915 1.00 0.00 WT1 O ATOM 23849 H1 TIP3 8183 76.182 39.910 50.683 1.00 0.00 WT1 H ATOM 23850 H2 TIP3 8183 76.960 40.795 51.633 1.00 0.00 WT1 H ATOM 23851 OH2 TIP3 8184 33.424 7.337 -12.379 1.00 0.00 WT1 O ATOM 23852 H1 TIP3 8184 34.258 7.798 -12.282 1.00 0.00 WT1 H ATOM 23853 H2 TIP3 8184 32.790 7.890 -11.922 1.00 0.00 WT1 H ATOM 23854 OH2 TIP3 8185 79.577 73.692 43.370 1.00 0.00 WT1 O ATOM 23855 H1 TIP3 8185 80.001 74.499 43.663 1.00 0.00 WT1 H ATOM 23856 H2 TIP3 8185 80.040 73.456 42.567 1.00 0.00 WT1 H ATOM 23857 OH2 TIP3 8186 86.226 36.608 21.724 1.00 0.00 WT1 O ATOM 23858 H1 TIP3 8186 85.778 37.444 21.599 1.00 0.00 WT1 H ATOM 23859 H2 TIP3 8186 86.045 36.116 20.923 1.00 0.00 WT1 H ATOM 23860 OH2 TIP3 8187 89.479 45.874 -3.069 1.00 0.00 WT1 O ATOM 23861 H1 TIP3 8187 88.534 45.800 -3.199 1.00 0.00 WT1 H ATOM 23862 H2 TIP3 8187 89.574 46.172 -2.165 1.00 0.00 WT1 H ATOM 23863 OH2 TIP3 8188 54.917 40.310 43.343 1.00 0.00 WT1 O ATOM 23864 H1 TIP3 8188 53.965 40.358 43.255 1.00 0.00 WT1 H ATOM 23865 H2 TIP3 8188 55.250 40.505 42.467 1.00 0.00 WT1 H ATOM 23866 OH2 TIP3 8189 20.762 6.226 -7.998 1.00 0.00 WT1 O ATOM 23867 H1 TIP3 8189 20.388 6.160 -8.876 1.00 0.00 WT1 H ATOM 23868 H2 TIP3 8189 20.660 5.350 -7.627 1.00 0.00 WT1 H ATOM 23869 OH2 TIP3 8190 53.624 1.441 5.616 1.00 0.00 WT1 O ATOM 23870 H1 TIP3 8190 53.378 0.733 6.211 1.00 0.00 WT1 H ATOM 23871 H2 TIP3 8190 54.544 1.613 5.816 1.00 0.00 WT1 H ATOM 23872 OH2 TIP3 8192 85.216 71.871 -9.147 1.00 0.00 WT1 O ATOM 23873 H1 TIP3 8192 85.813 72.556 -9.449 1.00 0.00 WT1 H ATOM 23874 H2 TIP3 8192 84.373 72.097 -9.540 1.00 0.00 WT1 H ATOM 23875 OH2 TIP3 8193 74.195 5.612 -3.758 1.00 0.00 WT1 O ATOM 23876 H1 TIP3 8193 74.071 6.559 -3.824 1.00 0.00 WT1 H ATOM 23877 H2 TIP3 8193 73.379 5.239 -4.090 1.00 0.00 WT1 H ATOM 23878 OH2 TIP3 8194 72.660 63.411 10.859 1.00 0.00 WT1 O ATOM 23879 H1 TIP3 8194 73.545 63.142 11.103 1.00 0.00 WT1 H ATOM 23880 H2 TIP3 8194 72.100 62.696 11.162 1.00 0.00 WT1 H ATOM 23881 OH2 TIP3 8195 65.837 30.651 24.462 1.00 0.00 WT1 O ATOM 23882 H1 TIP3 8195 66.323 30.233 25.173 1.00 0.00 WT1 H ATOM 23883 H2 TIP3 8195 65.541 29.923 23.915 1.00 0.00 WT1 H ATOM 23884 OH2 TIP3 8196 39.931 62.953 6.780 1.00 0.00 WT1 O ATOM 23885 H1 TIP3 8196 39.713 62.028 6.666 1.00 0.00 WT1 H ATOM 23886 H2 TIP3 8196 40.652 62.953 7.410 1.00 0.00 WT1 H ATOM 23887 OH2 TIP3 8197 21.402 38.929 -1.233 1.00 0.00 WT1 O ATOM 23888 H1 TIP3 8197 21.631 39.841 -1.053 1.00 0.00 WT1 H ATOM 23889 H2 TIP3 8197 21.536 38.479 -0.399 1.00 0.00 WT1 H ATOM 23890 OH2 TIP3 8198 77.083 88.254 2.137 1.00 0.00 WT1 O ATOM 23891 H1 TIP3 8198 76.339 87.658 2.048 1.00 0.00 WT1 H ATOM 23892 H2 TIP3 8198 76.938 88.695 2.975 1.00 0.00 WT1 H ATOM 23893 OH2 TIP3 8199 43.544 81.582 55.173 1.00 0.00 WT1 O ATOM 23894 H1 TIP3 8199 44.485 81.735 55.089 1.00 0.00 WT1 H ATOM 23895 H2 TIP3 8199 43.140 82.379 54.829 1.00 0.00 WT1 H ATOM 23896 OH2 TIP3 8200 61.312 46.625 -9.286 1.00 0.00 WT1 O ATOM 23897 H1 TIP3 8200 60.723 45.878 -9.182 1.00 0.00 WT1 H ATOM 23898 H2 TIP3 8200 61.278 47.077 -8.443 1.00 0.00 WT1 H ATOM 23899 OH2 TIP3 8201 74.699 91.783 -2.926 1.00 0.00 WT1 O ATOM 23900 H1 TIP3 8201 74.816 92.432 -2.232 1.00 0.00 WT1 H ATOM 23901 H2 TIP3 8201 73.902 92.058 -3.380 1.00 0.00 WT1 H ATOM 23902 OH2 TIP3 8202 37.672 58.656 28.218 1.00 0.00 WT1 O ATOM 23903 H1 TIP3 8202 37.539 59.440 28.751 1.00 0.00 WT1 H ATOM 23904 H2 TIP3 8202 38.621 58.528 28.214 1.00 0.00 WT1 H ATOM 23905 OH2 TIP3 8203 75.338 54.838 6.799 1.00 0.00 WT1 O ATOM 23906 H1 TIP3 8203 75.302 55.665 7.279 1.00 0.00 WT1 H ATOM 23907 H2 TIP3 8203 74.436 54.517 6.806 1.00 0.00 WT1 H ATOM 23908 OH2 TIP3 8204 56.849 50.008 39.191 1.00 0.00 WT1 O ATOM 23909 H1 TIP3 8204 56.646 50.758 39.751 1.00 0.00 WT1 H ATOM 23910 H2 TIP3 8204 56.295 50.127 38.420 1.00 0.00 WT1 H ATOM 23911 OH2 TIP3 8205 59.513 51.839 23.610 1.00 0.00 WT1 O ATOM 23912 H1 TIP3 8205 58.829 52.504 23.689 1.00 0.00 WT1 H ATOM 23913 H2 TIP3 8205 59.178 51.227 22.954 1.00 0.00 WT1 H ATOM 23914 OH2 TIP3 8206 90.380 49.439 66.479 1.00 0.00 WT1 O ATOM 23915 H1 TIP3 8206 90.548 49.433 65.537 1.00 0.00 WT1 H ATOM 23916 H2 TIP3 8206 89.520 49.030 66.573 1.00 0.00 WT1 H ATOM 23917 OH2 TIP3 8207 83.366 50.670 -18.209 1.00 0.00 WT1 O ATOM 23918 H1 TIP3 8207 83.052 50.502 -19.098 1.00 0.00 WT1 H ATOM 23919 H2 TIP3 8207 82.806 51.377 -17.887 1.00 0.00 WT1 H ATOM 23920 OH2 TIP3 8208 86.934 40.990 15.529 1.00 0.00 WT1 O ATOM 23921 H1 TIP3 8208 86.487 40.325 15.005 1.00 0.00 WT1 H ATOM 23922 H2 TIP3 8208 87.781 41.105 15.099 1.00 0.00 WT1 H ATOM 23923 OH2 TIP3 8209 76.806 54.815 10.078 1.00 0.00 WT1 O ATOM 23924 H1 TIP3 8209 76.106 54.520 10.661 1.00 0.00 WT1 H ATOM 23925 H2 TIP3 8209 76.644 55.752 9.963 1.00 0.00 WT1 H ATOM 23926 OH2 TIP3 8210 57.469 13.597 6.291 1.00 0.00 WT1 O ATOM 23927 H1 TIP3 8210 57.363 13.185 5.434 1.00 0.00 WT1 H ATOM 23928 H2 TIP3 8210 56.748 13.248 6.816 1.00 0.00 WT1 H ATOM 23929 OH2 TIP3 8212 70.138 54.411 3.122 1.00 0.00 WT1 O ATOM 23930 H1 TIP3 8212 69.576 55.179 3.016 1.00 0.00 WT1 H ATOM 23931 H2 TIP3 8212 70.299 54.361 4.065 1.00 0.00 WT1 H ATOM 23932 OH2 TIP3 8215 78.598 50.960 -10.331 1.00 0.00 WT1 O ATOM 23933 H1 TIP3 8215 77.925 50.421 -9.915 1.00 0.00 WT1 H ATOM 23934 H2 TIP3 8215 79.329 50.949 -9.713 1.00 0.00 WT1 H ATOM 23935 OH2 TIP3 8216 38.461 38.428 34.845 1.00 0.00 WT1 O ATOM 23936 H1 TIP3 8216 38.246 38.005 34.013 1.00 0.00 WT1 H ATOM 23937 H2 TIP3 8216 38.854 39.264 34.595 1.00 0.00 WT1 H ATOM 23938 OH2 TIP3 8217 78.694 58.524 48.971 1.00 0.00 WT1 O ATOM 23939 H1 TIP3 8217 78.507 58.003 48.190 1.00 0.00 WT1 H ATOM 23940 H2 TIP3 8217 77.900 59.039 49.111 1.00 0.00 WT1 H ATOM 23941 OH2 TIP3 8218 81.514 30.592 56.148 1.00 0.00 WT1 O ATOM 23942 H1 TIP3 8218 80.655 31.013 56.168 1.00 0.00 WT1 H ATOM 23943 H2 TIP3 8218 82.074 31.212 55.682 1.00 0.00 WT1 H ATOM 23944 OH2 TIP3 8219 62.555 14.717 -9.480 1.00 0.00 WT1 O ATOM 23945 H1 TIP3 8219 62.588 15.350 -10.197 1.00 0.00 WT1 H ATOM 23946 H2 TIP3 8219 61.904 15.072 -8.876 1.00 0.00 WT1 H ATOM 23947 OH2 TIP3 8220 42.994 61.621 13.011 1.00 0.00 WT1 O ATOM 23948 H1 TIP3 8220 42.906 61.934 13.911 1.00 0.00 WT1 H ATOM 23949 H2 TIP3 8220 43.793 62.039 12.688 1.00 0.00 WT1 H ATOM 23950 OH2 TIP3 8221 62.228 18.490 16.216 1.00 0.00 WT1 O ATOM 23951 H1 TIP3 8221 61.276 18.583 16.183 1.00 0.00 WT1 H ATOM 23952 H2 TIP3 8221 62.496 19.023 16.964 1.00 0.00 WT1 H ATOM 23953 OH2 TIP3 8222 36.881 64.311 28.671 1.00 0.00 WT1 O ATOM 23954 H1 TIP3 8222 37.250 64.356 27.789 1.00 0.00 WT1 H ATOM 23955 H2 TIP3 8222 37.510 63.789 29.168 1.00 0.00 WT1 H ATOM 23956 OH2 TIP3 8223 55.835 50.648 -11.665 1.00 0.00 WT1 O ATOM 23957 H1 TIP3 8223 55.780 49.717 -11.446 1.00 0.00 WT1 H ATOM 23958 H2 TIP3 8223 56.484 50.691 -12.366 1.00 0.00 WT1 H ATOM 23959 OH2 TIP3 8224 22.738 29.600 -0.810 1.00 0.00 WT1 O ATOM 23960 H1 TIP3 8224 21.936 29.262 -1.209 1.00 0.00 WT1 H ATOM 23961 H2 TIP3 8224 22.550 30.522 -0.639 1.00 0.00 WT1 H ATOM 23962 OH2 TIP3 8225 68.190 30.266 26.164 1.00 0.00 WT1 O ATOM 23963 H1 TIP3 8225 68.303 29.897 27.040 1.00 0.00 WT1 H ATOM 23964 H2 TIP3 8225 68.477 31.175 26.247 1.00 0.00 WT1 H ATOM 23965 OH2 TIP3 8226 83.482 38.502 33.711 1.00 0.00 WT1 O ATOM 23966 H1 TIP3 8226 83.927 38.128 32.951 1.00 0.00 WT1 H ATOM 23967 H2 TIP3 8226 83.854 38.036 34.460 1.00 0.00 WT1 H ATOM 23968 OH2 TIP3 8227 78.431 28.610 -11.898 1.00 0.00 WT1 O ATOM 23969 H1 TIP3 8227 78.522 28.986 -11.022 1.00 0.00 WT1 H ATOM 23970 H2 TIP3 8227 77.487 28.508 -12.019 1.00 0.00 WT1 H ATOM 23971 OH2 TIP3 8228 82.166 88.340 5.311 1.00 0.00 WT1 O ATOM 23972 H1 TIP3 8228 82.250 87.739 4.571 1.00 0.00 WT1 H ATOM 23973 H2 TIP3 8228 82.846 88.063 5.924 1.00 0.00 WT1 H ATOM 23974 OH2 TIP3 8229 61.596 9.540 6.048 1.00 0.00 WT1 O ATOM 23975 H1 TIP3 8229 62.228 10.033 6.571 1.00 0.00 WT1 H ATOM 23976 H2 TIP3 8229 61.209 10.191 5.463 1.00 0.00 WT1 H ATOM 23977 OH2 TIP3 8230 41.167 88.480 20.830 1.00 0.00 WT1 O ATOM 23978 H1 TIP3 8230 41.761 87.960 21.372 1.00 0.00 WT1 H ATOM 23979 H2 TIP3 8230 40.415 88.652 21.396 1.00 0.00 WT1 H ATOM 23980 OH2 TIP3 8231 42.236 26.957 0.238 1.00 0.00 WT1 O ATOM 23981 H1 TIP3 8231 43.128 26.686 0.019 1.00 0.00 WT1 H ATOM 23982 H2 TIP3 8231 41.732 26.143 0.242 1.00 0.00 WT1 H ATOM 23983 OH2 TIP3 8232 62.816 53.250 32.883 1.00 0.00 WT1 O ATOM 23984 H1 TIP3 8232 62.188 53.924 33.146 1.00 0.00 WT1 H ATOM 23985 H2 TIP3 8232 62.600 53.064 31.969 1.00 0.00 WT1 H ATOM 23986 OH2 TIP3 8233 25.094 63.495 38.766 1.00 0.00 WT1 O ATOM 23987 H1 TIP3 8233 25.439 64.387 38.712 1.00 0.00 WT1 H ATOM 23988 H2 TIP3 8233 25.438 63.057 37.987 1.00 0.00 WT1 H ATOM 23989 OH2 TIP3 8234 62.667 42.891 -7.029 1.00 0.00 WT1 O ATOM 23990 H1 TIP3 8234 62.955 43.789 -7.195 1.00 0.00 WT1 H ATOM 23991 H2 TIP3 8234 63.478 42.402 -6.889 1.00 0.00 WT1 H ATOM 23992 OH2 TIP3 8235 38.785 64.919 -13.127 1.00 0.00 WT1 O ATOM 23993 H1 TIP3 8235 39.373 65.637 -13.360 1.00 0.00 WT1 H ATOM 23994 H2 TIP3 8235 39.354 64.265 -12.722 1.00 0.00 WT1 H ATOM 23995 OH2 TIP3 8236 54.965 28.184 34.998 1.00 0.00 WT1 O ATOM 23996 H1 TIP3 8236 54.410 27.754 34.348 1.00 0.00 WT1 H ATOM 23997 H2 TIP3 8236 54.600 29.065 35.081 1.00 0.00 WT1 H ATOM 23998 OH2 TIP3 8237 64.912 38.185 58.808 1.00 0.00 WT1 O ATOM 23999 H1 TIP3 8237 65.750 38.261 59.263 1.00 0.00 WT1 H ATOM 24000 H2 TIP3 8237 64.272 38.042 59.505 1.00 0.00 WT1 H ATOM 24001 OH2 TIP3 8238 81.903 0.620 -12.660 1.00 0.00 WT1 O ATOM 24002 H1 TIP3 8238 81.501 0.311 -11.848 1.00 0.00 WT1 H ATOM 24003 H2 TIP3 8238 81.459 1.447 -12.847 1.00 0.00 WT1 H ATOM 24004 OH2 TIP3 8239 62.831 0.609 14.318 1.00 0.00 WT1 O ATOM 24005 H1 TIP3 8239 63.179 0.782 15.193 1.00 0.00 WT1 H ATOM 24006 H2 TIP3 8239 61.950 0.269 14.472 1.00 0.00 WT1 H ATOM 24007 OH2 TIP3 8240 86.099 36.049 -13.264 1.00 0.00 WT1 O ATOM 24008 H1 TIP3 8240 86.473 36.196 -14.132 1.00 0.00 WT1 H ATOM 24009 H2 TIP3 8240 85.152 36.062 -13.405 1.00 0.00 WT1 H ATOM 24010 OH2 TIP3 8241 20.795 45.803 9.797 1.00 0.00 WT1 O ATOM 24011 H1 TIP3 8241 21.367 45.864 10.561 1.00 0.00 WT1 H ATOM 24012 H2 TIP3 8241 20.738 46.699 9.466 1.00 0.00 WT1 H ATOM 24013 OH2 TIP3 8242 26.332 27.487 -9.996 1.00 0.00 WT1 O ATOM 24014 H1 TIP3 8242 27.232 27.190 -9.860 1.00 0.00 WT1 H ATOM 24015 H2 TIP3 8242 26.154 28.062 -9.251 1.00 0.00 WT1 H ATOM 24016 OH2 TIP3 8244 27.665 80.422 40.491 1.00 0.00 WT1 O ATOM 24017 H1 TIP3 8244 27.860 79.914 39.703 1.00 0.00 WT1 H ATOM 24018 H2 TIP3 8244 27.137 81.157 40.178 1.00 0.00 WT1 H ATOM 24019 OH2 TIP3 8245 50.457 42.042 29.155 1.00 0.00 WT1 O ATOM 24020 H1 TIP3 8245 51.273 42.488 28.925 1.00 0.00 WT1 H ATOM 24021 H2 TIP3 8245 50.081 41.783 28.314 1.00 0.00 WT1 H ATOM 24022 OH2 TIP3 8246 87.851 47.037 22.062 1.00 0.00 WT1 O ATOM 24023 H1 TIP3 8246 88.563 46.765 21.482 1.00 0.00 WT1 H ATOM 24024 H2 TIP3 8246 87.522 47.848 21.675 1.00 0.00 WT1 H ATOM 24025 OH2 TIP3 8248 80.972 25.824 49.948 1.00 0.00 WT1 O ATOM 24026 H1 TIP3 8248 80.946 26.256 49.094 1.00 0.00 WT1 H ATOM 24027 H2 TIP3 8248 80.319 26.289 50.471 1.00 0.00 WT1 H ATOM 24028 OH2 TIP3 8249 55.352 47.608 40.010 1.00 0.00 WT1 O ATOM 24029 H1 TIP3 8249 54.996 47.368 39.154 1.00 0.00 WT1 H ATOM 24030 H2 TIP3 8249 55.969 48.315 39.824 1.00 0.00 WT1 H ATOM 24031 OH2 TIP3 8250 84.980 8.128 61.109 1.00 0.00 WT1 O ATOM 24032 H1 TIP3 8250 85.772 8.196 61.643 1.00 0.00 WT1 H ATOM 24033 H2 TIP3 8250 84.577 7.304 61.384 1.00 0.00 WT1 H ATOM 24034 OH2 TIP3 8251 25.301 77.330 24.651 1.00 0.00 WT1 O ATOM 24035 H1 TIP3 8251 24.606 77.554 24.032 1.00 0.00 WT1 H ATOM 24036 H2 TIP3 8251 26.043 77.081 24.100 1.00 0.00 WT1 H ATOM 24037 OH2 TIP3 8252 58.377 16.992 54.468 1.00 0.00 WT1 O ATOM 24038 H1 TIP3 8252 58.132 17.035 53.544 1.00 0.00 WT1 H ATOM 24039 H2 TIP3 8252 58.847 17.811 54.629 1.00 0.00 WT1 H ATOM 24040 OH2 TIP3 8253 40.270 83.808 51.660 1.00 0.00 WT1 O ATOM 24041 H1 TIP3 8253 41.207 83.729 51.839 1.00 0.00 WT1 H ATOM 24042 H2 TIP3 8253 40.112 84.751 51.621 1.00 0.00 WT1 H ATOM 24043 OH2 TIP3 8254 39.890 55.513 62.014 1.00 0.00 WT1 O ATOM 24044 H1 TIP3 8254 39.785 54.943 61.252 1.00 0.00 WT1 H ATOM 24045 H2 TIP3 8254 39.138 55.310 62.571 1.00 0.00 WT1 H ATOM 24046 OH2 TIP3 8255 44.013 49.064 56.351 1.00 0.00 WT1 O ATOM 24047 H1 TIP3 8255 43.191 48.749 55.975 1.00 0.00 WT1 H ATOM 24048 H2 TIP3 8255 43.759 49.813 56.889 1.00 0.00 WT1 H ATOM 24049 OH2 TIP3 8256 54.997 7.568 -6.559 1.00 0.00 WT1 O ATOM 24050 H1 TIP3 8256 55.474 6.892 -7.040 1.00 0.00 WT1 H ATOM 24051 H2 TIP3 8256 54.191 7.694 -7.058 1.00 0.00 WT1 H ATOM 24052 OH2 TIP3 8257 38.532 4.031 41.977 1.00 0.00 WT1 O ATOM 24053 H1 TIP3 8257 38.254 4.511 42.757 1.00 0.00 WT1 H ATOM 24054 H2 TIP3 8257 38.372 4.637 41.253 1.00 0.00 WT1 H ATOM 24055 OH2 TIP3 8258 40.039 58.349 53.882 1.00 0.00 WT1 O ATOM 24056 H1 TIP3 8258 40.107 58.037 54.784 1.00 0.00 WT1 H ATOM 24057 H2 TIP3 8258 40.486 57.681 53.363 1.00 0.00 WT1 H ATOM 24058 OH2 TIP3 8259 22.889 58.479 -6.026 1.00 0.00 WT1 O ATOM 24059 H1 TIP3 8259 22.113 58.019 -6.346 1.00 0.00 WT1 H ATOM 24060 H2 TIP3 8259 22.560 59.326 -5.727 1.00 0.00 WT1 H ATOM 24061 OH2 TIP3 8260 34.159 18.669 -10.616 1.00 0.00 WT1 O ATOM 24062 H1 TIP3 8260 34.507 19.222 -11.315 1.00 0.00 WT1 H ATOM 24063 H2 TIP3 8260 33.211 18.787 -10.667 1.00 0.00 WT1 H ATOM 24064 OH2 TIP3 8261 21.761 46.907 29.439 1.00 0.00 WT1 O ATOM 24065 H1 TIP3 8261 21.160 46.860 30.183 1.00 0.00 WT1 H ATOM 24066 H2 TIP3 8261 21.275 46.516 28.713 1.00 0.00 WT1 H ATOM 24067 OH2 TIP3 8262 22.287 48.288 44.885 1.00 0.00 WT1 O ATOM 24068 H1 TIP3 8262 22.392 47.707 44.132 1.00 0.00 WT1 H ATOM 24069 H2 TIP3 8262 22.344 49.170 44.519 1.00 0.00 WT1 H ATOM 24070 OH2 TIP3 8263 74.040 85.793 50.646 1.00 0.00 WT1 O ATOM 24071 H1 TIP3 8263 73.615 85.444 49.862 1.00 0.00 WT1 H ATOM 24072 H2 TIP3 8263 74.971 85.619 50.511 1.00 0.00 WT1 H ATOM 24073 OH2 TIP3 8264 86.206 72.167 18.997 1.00 0.00 WT1 O ATOM 24074 H1 TIP3 8264 86.247 72.340 18.056 1.00 0.00 WT1 H ATOM 24075 H2 TIP3 8264 85.541 71.484 19.086 1.00 0.00 WT1 H ATOM 24076 OH2 TIP3 8265 38.635 50.521 66.501 1.00 0.00 WT1 O ATOM 24077 H1 TIP3 8265 38.108 50.979 67.156 1.00 0.00 WT1 H ATOM 24078 H2 TIP3 8265 38.069 49.817 66.187 1.00 0.00 WT1 H ATOM 24079 OH2 TIP3 8266 88.643 28.760 -6.295 1.00 0.00 WT1 O ATOM 24080 H1 TIP3 8266 88.525 29.320 -5.528 1.00 0.00 WT1 H ATOM 24081 H2 TIP3 8266 87.945 29.025 -6.895 1.00 0.00 WT1 H ATOM 24082 OH2 TIP3 8267 47.784 35.001 45.708 1.00 0.00 WT1 O ATOM 24083 H1 TIP3 8267 48.614 34.674 46.056 1.00 0.00 WT1 H ATOM 24084 H2 TIP3 8267 47.913 35.023 44.760 1.00 0.00 WT1 H ATOM 24085 OH2 TIP3 8268 34.701 31.289 43.747 1.00 0.00 WT1 O ATOM 24086 H1 TIP3 8268 35.153 31.024 44.548 1.00 0.00 WT1 H ATOM 24087 H2 TIP3 8268 35.030 30.690 43.077 1.00 0.00 WT1 H ATOM 24088 OH2 TIP3 8269 79.140 64.409 35.527 1.00 0.00 WT1 O ATOM 24089 H1 TIP3 8269 79.628 64.170 36.315 1.00 0.00 WT1 H ATOM 24090 H2 TIP3 8269 79.528 63.876 34.833 1.00 0.00 WT1 H ATOM 24091 OH2 TIP3 8271 66.420 71.497 2.973 1.00 0.00 WT1 O ATOM 24092 H1 TIP3 8271 66.824 71.748 2.143 1.00 0.00 WT1 H ATOM 24093 H2 TIP3 8271 66.864 72.035 3.628 1.00 0.00 WT1 H ATOM 24094 OH2 TIP3 8272 54.607 73.773 -12.805 1.00 0.00 WT1 O ATOM 24095 H1 TIP3 8272 54.056 73.137 -12.349 1.00 0.00 WT1 H ATOM 24096 H2 TIP3 8272 54.585 73.497 -13.721 1.00 0.00 WT1 H ATOM 24097 OH2 TIP3 8273 28.978 64.677 56.093 1.00 0.00 WT1 O ATOM 24098 H1 TIP3 8273 29.686 64.828 56.719 1.00 0.00 WT1 H ATOM 24099 H2 TIP3 8273 29.390 64.782 55.235 1.00 0.00 WT1 H ATOM 24100 OH2 TIP3 8274 30.649 73.314 -15.168 1.00 0.00 WT1 O ATOM 24101 H1 TIP3 8274 31.148 72.503 -15.069 1.00 0.00 WT1 H ATOM 24102 H2 TIP3 8274 31.313 74.002 -15.205 1.00 0.00 WT1 H ATOM 24103 OH2 TIP3 8275 66.972 63.027 13.233 1.00 0.00 WT1 O ATOM 24104 H1 TIP3 8275 66.574 63.187 14.088 1.00 0.00 WT1 H ATOM 24105 H2 TIP3 8275 66.524 62.249 12.902 1.00 0.00 WT1 H ATOM 24106 OH2 TIP3 8276 81.249 48.092 14.655 1.00 0.00 WT1 O ATOM 24107 H1 TIP3 8276 80.650 48.789 14.923 1.00 0.00 WT1 H ATOM 24108 H2 TIP3 8276 80.951 47.321 15.137 1.00 0.00 WT1 H ATOM 24109 OH2 TIP3 8277 71.431 78.814 5.177 1.00 0.00 WT1 O ATOM 24110 H1 TIP3 8277 70.594 79.059 5.572 1.00 0.00 WT1 H ATOM 24111 H2 TIP3 8277 71.274 77.948 4.801 1.00 0.00 WT1 H ATOM 24112 OH2 TIP3 8278 27.885 40.609 62.293 1.00 0.00 WT1 O ATOM 24113 H1 TIP3 8278 28.707 41.067 62.469 1.00 0.00 WT1 H ATOM 24114 H2 TIP3 8278 27.369 40.728 63.090 1.00 0.00 WT1 H ATOM 24115 OH2 TIP3 8279 29.572 50.855 65.867 1.00 0.00 WT1 O ATOM 24116 H1 TIP3 8279 29.804 51.398 66.620 1.00 0.00 WT1 H ATOM 24117 H2 TIP3 8279 30.303 50.243 65.779 1.00 0.00 WT1 H ATOM 24118 OH2 TIP3 8280 86.665 47.153 31.559 1.00 0.00 WT1 O ATOM 24119 H1 TIP3 8280 86.614 47.872 30.930 1.00 0.00 WT1 H ATOM 24120 H2 TIP3 8280 86.421 46.376 31.056 1.00 0.00 WT1 H ATOM 24121 OH2 TIP3 8281 56.472 49.940 50.340 1.00 0.00 WT1 O ATOM 24122 H1 TIP3 8281 56.446 50.527 51.096 1.00 0.00 WT1 H ATOM 24123 H2 TIP3 8281 57.117 50.335 49.753 1.00 0.00 WT1 H ATOM 24124 OH2 TIP3 8282 65.476 36.620 -6.737 1.00 0.00 WT1 O ATOM 24125 H1 TIP3 8282 65.786 37.338 -7.289 1.00 0.00 WT1 H ATOM 24126 H2 TIP3 8282 65.982 36.704 -5.929 1.00 0.00 WT1 H ATOM 24127 OH2 TIP3 8283 64.234 47.130 9.232 1.00 0.00 WT1 O ATOM 24128 H1 TIP3 8283 63.485 47.696 9.047 1.00 0.00 WT1 H ATOM 24129 H2 TIP3 8283 64.244 47.050 10.186 1.00 0.00 WT1 H ATOM 24130 OH2 TIP3 8285 71.187 43.801 63.373 1.00 0.00 WT1 O ATOM 24131 H1 TIP3 8285 72.059 44.167 63.515 1.00 0.00 WT1 H ATOM 24132 H2 TIP3 8285 71.181 43.548 62.450 1.00 0.00 WT1 H ATOM 24133 OH2 TIP3 8286 39.232 20.606 34.249 1.00 0.00 WT1 O ATOM 24134 H1 TIP3 8286 39.899 21.151 33.830 1.00 0.00 WT1 H ATOM 24135 H2 TIP3 8286 39.061 19.909 33.616 1.00 0.00 WT1 H ATOM 24136 OH2 TIP3 8287 38.588 75.942 10.580 1.00 0.00 WT1 O ATOM 24137 H1 TIP3 8287 39.482 75.684 10.805 1.00 0.00 WT1 H ATOM 24138 H2 TIP3 8287 38.271 76.407 11.355 1.00 0.00 WT1 H ATOM 24139 OH2 TIP3 8288 52.120 15.321 53.227 1.00 0.00 WT1 O ATOM 24140 H1 TIP3 8288 52.970 15.499 52.825 1.00 0.00 WT1 H ATOM 24141 H2 TIP3 8288 51.777 14.571 52.740 1.00 0.00 WT1 H ATOM 24142 OH2 TIP3 8289 87.618 40.726 43.278 1.00 0.00 WT1 O ATOM 24143 H1 TIP3 8289 87.442 40.971 44.186 1.00 0.00 WT1 H ATOM 24144 H2 TIP3 8289 88.567 40.813 43.185 1.00 0.00 WT1 H ATOM 24145 OH2 TIP3 8290 49.659 72.383 -2.998 1.00 0.00 WT1 O ATOM 24146 H1 TIP3 8290 50.146 71.565 -2.899 1.00 0.00 WT1 H ATOM 24147 H2 TIP3 8290 49.400 72.617 -2.107 1.00 0.00 WT1 H ATOM 24148 OH2 TIP3 8291 23.158 84.291 41.073 1.00 0.00 WT1 O ATOM 24149 H1 TIP3 8291 22.429 84.375 40.458 1.00 0.00 WT1 H ATOM 24150 H2 TIP3 8291 23.255 83.348 41.203 1.00 0.00 WT1 H ATOM 24151 OH2 TIP3 8292 38.018 95.306 19.800 1.00 0.00 WT1 O ATOM 24152 H1 TIP3 8292 37.984 94.503 20.319 1.00 0.00 WT1 H ATOM 24153 H2 TIP3 8292 37.524 95.945 20.314 1.00 0.00 WT1 H ATOM 24154 OH2 TIP3 8293 61.107 36.827 66.382 1.00 0.00 WT1 O ATOM 24155 H1 TIP3 8293 60.697 37.611 66.748 1.00 0.00 WT1 H ATOM 24156 H2 TIP3 8293 60.401 36.182 66.346 1.00 0.00 WT1 H ATOM 24157 OH2 TIP3 8294 47.187 26.364 2.364 1.00 0.00 WT1 O ATOM 24158 H1 TIP3 8294 47.613 25.688 2.891 1.00 0.00 WT1 H ATOM 24159 H2 TIP3 8294 47.186 27.140 2.924 1.00 0.00 WT1 H ATOM 24160 OH2 TIP3 8295 60.562 66.842 24.930 1.00 0.00 WT1 O ATOM 24161 H1 TIP3 8295 61.043 66.647 24.126 1.00 0.00 WT1 H ATOM 24162 H2 TIP3 8295 59.655 66.609 24.729 1.00 0.00 WT1 H ATOM 24163 OH2 TIP3 8296 61.362 85.535 17.417 1.00 0.00 WT1 O ATOM 24164 H1 TIP3 8296 62.050 85.761 16.791 1.00 0.00 WT1 H ATOM 24165 H2 TIP3 8296 61.833 85.310 18.220 1.00 0.00 WT1 H ATOM 24166 OH2 TIP3 8297 69.590 49.854 64.606 1.00 0.00 WT1 O ATOM 24167 H1 TIP3 8297 69.031 50.365 65.191 1.00 0.00 WT1 H ATOM 24168 H2 TIP3 8297 69.269 50.059 63.728 1.00 0.00 WT1 H ATOM 24169 OH2 TIP3 8298 22.168 68.908 42.473 1.00 0.00 WT1 O ATOM 24170 H1 TIP3 8298 22.681 68.107 42.367 1.00 0.00 WT1 H ATOM 24171 H2 TIP3 8298 21.298 68.681 42.145 1.00 0.00 WT1 H ATOM 24172 OH2 TIP3 8299 66.256 25.908 9.320 1.00 0.00 WT1 O ATOM 24173 H1 TIP3 8299 66.397 25.831 8.376 1.00 0.00 WT1 H ATOM 24174 H2 TIP3 8299 65.515 25.330 9.500 1.00 0.00 WT1 H ATOM 24175 OH2 TIP3 8300 68.260 48.055 -17.354 1.00 0.00 WT1 O ATOM 24176 H1 TIP3 8300 67.748 48.321 -18.118 1.00 0.00 WT1 H ATOM 24177 H2 TIP3 8300 68.668 47.228 -17.615 1.00 0.00 WT1 H ATOM 24178 OH2 TIP3 8301 75.709 91.282 11.098 1.00 0.00 WT1 O ATOM 24179 H1 TIP3 8301 76.642 91.176 10.910 1.00 0.00 WT1 H ATOM 24180 H2 TIP3 8301 75.654 91.279 12.053 1.00 0.00 WT1 H ATOM 24181 OH2 TIP3 8302 51.968 41.675 21.580 1.00 0.00 WT1 O ATOM 24182 H1 TIP3 8302 52.029 42.469 21.049 1.00 0.00 WT1 H ATOM 24183 H2 TIP3 8302 51.541 41.037 21.008 1.00 0.00 WT1 H ATOM 24184 OH2 TIP3 8303 25.376 67.825 28.013 1.00 0.00 WT1 O ATOM 24185 H1 TIP3 8303 24.991 68.007 27.156 1.00 0.00 WT1 H ATOM 24186 H2 TIP3 8303 25.019 66.972 28.260 1.00 0.00 WT1 H ATOM 24187 OH2 TIP3 8304 44.878 29.665 34.998 1.00 0.00 WT1 O ATOM 24188 H1 TIP3 8304 44.642 30.551 34.723 1.00 0.00 WT1 H ATOM 24189 H2 TIP3 8304 45.547 29.389 34.372 1.00 0.00 WT1 H ATOM 24190 OH2 TIP3 8305 74.002 58.843 23.222 1.00 0.00 WT1 O ATOM 24191 H1 TIP3 8305 73.759 58.870 22.297 1.00 0.00 WT1 H ATOM 24192 H2 TIP3 8305 73.347 58.274 23.625 1.00 0.00 WT1 H ATOM 24193 OH2 TIP3 8306 76.027 61.678 43.500 1.00 0.00 WT1 O ATOM 24194 H1 TIP3 8306 76.698 61.049 43.766 1.00 0.00 WT1 H ATOM 24195 H2 TIP3 8306 75.346 61.600 44.169 1.00 0.00 WT1 H ATOM 24196 OH2 TIP3 8307 82.341 60.430 65.183 1.00 0.00 WT1 O ATOM 24197 H1 TIP3 8307 81.481 60.012 65.151 1.00 0.00 WT1 H ATOM 24198 H2 TIP3 8307 82.519 60.542 66.117 1.00 0.00 WT1 H ATOM 24199 OH2 TIP3 8308 35.799 71.263 -4.663 1.00 0.00 WT1 O ATOM 24200 H1 TIP3 8308 35.782 71.915 -5.364 1.00 0.00 WT1 H ATOM 24201 H2 TIP3 8308 36.705 71.269 -4.353 1.00 0.00 WT1 H ATOM 24202 OH2 TIP3 8309 26.834 4.844 -17.206 1.00 0.00 WT1 O ATOM 24203 H1 TIP3 8309 27.632 5.373 -17.180 1.00 0.00 WT1 H ATOM 24204 H2 TIP3 8309 26.567 4.769 -16.291 1.00 0.00 WT1 H ATOM 24205 OH2 TIP3 8310 43.993 30.812 1.270 1.00 0.00 WT1 O ATOM 24206 H1 TIP3 8310 44.204 31.349 0.507 1.00 0.00 WT1 H ATOM 24207 H2 TIP3 8310 44.295 31.328 2.018 1.00 0.00 WT1 H ATOM 24208 OH2 TIP3 8311 90.173 36.656 55.884 1.00 0.00 WT1 O ATOM 24209 H1 TIP3 8311 90.276 36.781 54.940 1.00 0.00 WT1 H ATOM 24210 H2 TIP3 8311 89.906 35.741 55.977 1.00 0.00 WT1 H ATOM 24211 OH2 TIP3 8312 70.091 22.060 -18.472 1.00 0.00 WT1 O ATOM 24212 H1 TIP3 8312 69.425 21.563 -18.947 1.00 0.00 WT1 H ATOM 24213 H2 TIP3 8312 70.848 22.066 -19.057 1.00 0.00 WT1 H ATOM 24214 OH2 TIP3 8313 54.018 70.298 23.998 1.00 0.00 WT1 O ATOM 24215 H1 TIP3 8313 54.075 69.595 23.352 1.00 0.00 WT1 H ATOM 24216 H2 TIP3 8313 54.532 71.013 23.622 1.00 0.00 WT1 H ATOM 24217 OH2 TIP3 8314 68.546 86.587 34.560 1.00 0.00 WT1 O ATOM 24218 H1 TIP3 8314 68.996 85.979 35.145 1.00 0.00 WT1 H ATOM 24219 H2 TIP3 8314 67.828 86.075 34.187 1.00 0.00 WT1 H ATOM 24220 OH2 TIP3 8315 71.065 78.779 53.475 1.00 0.00 WT1 O ATOM 24221 H1 TIP3 8315 70.380 78.942 52.827 1.00 0.00 WT1 H ATOM 24222 H2 TIP3 8315 71.011 79.523 54.075 1.00 0.00 WT1 H ATOM 24223 OH2 TIP3 8316 40.185 30.936 35.334 1.00 0.00 WT1 O ATOM 24224 H1 TIP3 8316 39.971 30.733 34.424 1.00 0.00 WT1 H ATOM 24225 H2 TIP3 8316 39.876 31.833 35.459 1.00 0.00 WT1 H ATOM 24226 OH2 TIP3 8317 80.686 21.101 -7.034 1.00 0.00 WT1 O ATOM 24227 H1 TIP3 8317 80.221 20.304 -6.781 1.00 0.00 WT1 H ATOM 24228 H2 TIP3 8317 80.160 21.813 -6.669 1.00 0.00 WT1 H ATOM 24229 OH2 TIP3 8319 32.184 6.062 34.706 1.00 0.00 WT1 O ATOM 24230 H1 TIP3 8319 32.894 6.701 34.768 1.00 0.00 WT1 H ATOM 24231 H2 TIP3 8319 31.460 6.460 35.190 1.00 0.00 WT1 H ATOM 24232 OH2 TIP3 8321 41.945 12.164 -10.822 1.00 0.00 WT1 O ATOM 24233 H1 TIP3 8321 41.191 11.801 -11.285 1.00 0.00 WT1 H ATOM 24234 H2 TIP3 8321 42.668 11.576 -11.041 1.00 0.00 WT1 H ATOM 24235 OH2 TIP3 8322 46.194 70.413 56.859 1.00 0.00 WT1 O ATOM 24236 H1 TIP3 8322 45.531 70.988 57.241 1.00 0.00 WT1 H ATOM 24237 H2 TIP3 8322 46.219 70.658 55.933 1.00 0.00 WT1 H ATOM 24238 OH2 TIP3 8323 40.788 39.112 -4.337 1.00 0.00 WT1 O ATOM 24239 H1 TIP3 8323 41.273 38.331 -4.603 1.00 0.00 WT1 H ATOM 24240 H2 TIP3 8323 41.281 39.841 -4.715 1.00 0.00 WT1 H ATOM 24241 OH2 TIP3 8324 27.417 14.904 30.265 1.00 0.00 WT1 O ATOM 24242 H1 TIP3 8324 28.060 15.602 30.143 1.00 0.00 WT1 H ATOM 24243 H2 TIP3 8324 27.573 14.304 29.535 1.00 0.00 WT1 H ATOM 24244 OH2 TIP3 8325 80.068 81.401 3.945 1.00 0.00 WT1 O ATOM 24245 H1 TIP3 8325 79.657 81.662 3.121 1.00 0.00 WT1 H ATOM 24246 H2 TIP3 8325 79.354 81.030 4.463 1.00 0.00 WT1 H ATOM 24247 OH2 TIP3 8326 62.552 69.758 0.557 1.00 0.00 WT1 O ATOM 24248 H1 TIP3 8326 62.927 70.088 1.373 1.00 0.00 WT1 H ATOM 24249 H2 TIP3 8326 61.739 69.327 0.823 1.00 0.00 WT1 H ATOM 24250 OH2 TIP3 8327 73.237 52.857 57.373 1.00 0.00 WT1 O ATOM 24251 H1 TIP3 8327 72.351 53.091 57.651 1.00 0.00 WT1 H ATOM 24252 H2 TIP3 8327 73.606 53.672 57.034 1.00 0.00 WT1 H ATOM 24253 OH2 TIP3 8328 26.255 1.108 35.624 1.00 0.00 WT1 O ATOM 24254 H1 TIP3 8328 25.703 0.377 35.900 1.00 0.00 WT1 H ATOM 24255 H2 TIP3 8328 26.808 1.291 36.383 1.00 0.00 WT1 H ATOM 24256 OH2 TIP3 8329 32.700 23.053 44.480 1.00 0.00 WT1 O ATOM 24257 H1 TIP3 8329 32.743 22.109 44.326 1.00 0.00 WT1 H ATOM 24258 H2 TIP3 8329 33.407 23.416 43.946 1.00 0.00 WT1 H ATOM 24259 OH2 TIP3 8330 24.482 68.323 17.773 1.00 0.00 WT1 O ATOM 24260 H1 TIP3 8330 23.856 68.183 18.483 1.00 0.00 WT1 H ATOM 24261 H2 TIP3 8330 24.740 67.441 17.503 1.00 0.00 WT1 H ATOM 24262 OH2 TIP3 8331 43.975 57.143 57.114 1.00 0.00 WT1 O ATOM 24263 H1 TIP3 8331 43.334 57.683 57.575 1.00 0.00 WT1 H ATOM 24264 H2 TIP3 8331 44.075 56.366 57.665 1.00 0.00 WT1 H ATOM 24265 OH2 TIP3 8332 27.788 86.333 66.117 1.00 0.00 WT1 O ATOM 24266 H1 TIP3 8332 28.365 85.595 66.312 1.00 0.00 WT1 H ATOM 24267 H2 TIP3 8332 28.219 86.792 65.397 1.00 0.00 WT1 H ATOM 24268 OH2 TIP3 8334 45.095 34.953 16.588 1.00 0.00 WT1 O ATOM 24269 H1 TIP3 8334 44.227 35.286 16.819 1.00 0.00 WT1 H ATOM 24270 H2 TIP3 8334 45.180 35.136 15.652 1.00 0.00 WT1 H ATOM 24271 OH2 TIP3 8335 32.871 73.175 42.953 1.00 0.00 WT1 O ATOM 24272 H1 TIP3 8335 33.630 72.936 43.485 1.00 0.00 WT1 H ATOM 24273 H2 TIP3 8335 33.108 72.906 42.065 1.00 0.00 WT1 H ATOM 24274 OH2 TIP3 8336 62.801 41.915 32.570 1.00 0.00 WT1 O ATOM 24275 H1 TIP3 8336 62.044 41.340 32.690 1.00 0.00 WT1 H ATOM 24276 H2 TIP3 8336 62.501 42.580 31.950 1.00 0.00 WT1 H ATOM 24277 OH2 TIP3 8338 89.980 52.349 51.449 1.00 0.00 WT1 O ATOM 24278 H1 TIP3 8338 89.889 53.257 51.161 1.00 0.00 WT1 H ATOM 24279 H2 TIP3 8338 90.834 52.075 51.114 1.00 0.00 WT1 H ATOM 24280 OH2 TIP3 8339 41.977 7.325 32.236 1.00 0.00 WT1 O ATOM 24281 H1 TIP3 8339 42.221 7.559 31.341 1.00 0.00 WT1 H ATOM 24282 H2 TIP3 8339 42.413 7.978 32.783 1.00 0.00 WT1 H ATOM 24283 OH2 TIP3 8341 65.175 30.108 57.196 1.00 0.00 WT1 O ATOM 24284 H1 TIP3 8341 64.892 30.779 57.816 1.00 0.00 WT1 H ATOM 24285 H2 TIP3 8341 64.376 29.853 56.735 1.00 0.00 WT1 H ATOM 24286 OH2 TIP3 8342 25.365 24.453 52.897 1.00 0.00 WT1 O ATOM 24287 H1 TIP3 8342 25.778 25.296 53.082 1.00 0.00 WT1 H ATOM 24288 H2 TIP3 8342 25.936 23.809 53.316 1.00 0.00 WT1 H ATOM 24289 OH2 TIP3 8344 79.414 74.092 7.313 1.00 0.00 WT1 O ATOM 24290 H1 TIP3 8344 80.305 74.020 7.655 1.00 0.00 WT1 H ATOM 24291 H2 TIP3 8344 78.853 73.867 8.055 1.00 0.00 WT1 H ATOM 24292 OH2 TIP3 8345 88.872 30.830 7.931 1.00 0.00 WT1 O ATOM 24293 H1 TIP3 8345 89.783 30.966 7.670 1.00 0.00 WT1 H ATOM 24294 H2 TIP3 8345 88.771 31.345 8.730 1.00 0.00 WT1 H ATOM 24295 OH2 TIP3 8346 42.049 66.790 59.702 1.00 0.00 WT1 O ATOM 24296 H1 TIP3 8346 42.606 67.165 60.384 1.00 0.00 WT1 H ATOM 24297 H2 TIP3 8346 42.403 67.141 58.884 1.00 0.00 WT1 H ATOM 24298 OH2 TIP3 8347 76.428 60.042 18.227 1.00 0.00 WT1 O ATOM 24299 H1 TIP3 8347 75.621 59.938 17.721 1.00 0.00 WT1 H ATOM 24300 H2 TIP3 8347 76.158 60.516 19.014 1.00 0.00 WT1 H ATOM 24301 OH2 TIP3 8348 21.758 3.902 1.196 1.00 0.00 WT1 O ATOM 24302 H1 TIP3 8348 21.654 4.540 0.489 1.00 0.00 WT1 H ATOM 24303 H2 TIP3 8348 21.757 4.428 1.996 1.00 0.00 WT1 H ATOM 24304 OH2 TIP3 8349 82.329 94.383 -3.129 1.00 0.00 WT1 O ATOM 24305 H1 TIP3 8349 81.668 93.719 -2.931 1.00 0.00 WT1 H ATOM 24306 H2 TIP3 8349 81.960 95.198 -2.790 1.00 0.00 WT1 H ATOM 24307 OH2 TIP3 8350 38.289 73.451 9.031 1.00 0.00 WT1 O ATOM 24308 H1 TIP3 8350 38.993 72.933 9.420 1.00 0.00 WT1 H ATOM 24309 H2 TIP3 8350 38.444 74.342 9.345 1.00 0.00 WT1 H ATOM 24310 OH2 TIP3 8351 39.861 28.679 29.234 1.00 0.00 WT1 O ATOM 24311 H1 TIP3 8351 40.808 28.567 29.149 1.00 0.00 WT1 H ATOM 24312 H2 TIP3 8351 39.755 29.563 29.585 1.00 0.00 WT1 H ATOM 24313 OH2 TIP3 8352 32.009 44.778 54.843 1.00 0.00 WT1 O ATOM 24314 H1 TIP3 8352 32.624 44.478 54.173 1.00 0.00 WT1 H ATOM 24315 H2 TIP3 8352 32.551 44.925 55.618 1.00 0.00 WT1 H ATOM 24316 OH2 TIP3 8353 87.791 27.701 33.750 1.00 0.00 WT1 O ATOM 24317 H1 TIP3 8353 87.708 28.649 33.852 1.00 0.00 WT1 H ATOM 24318 H2 TIP3 8353 88.602 27.582 33.256 1.00 0.00 WT1 H ATOM 24319 OH2 TIP3 8354 53.962 42.199 64.798 1.00 0.00 WT1 O ATOM 24320 H1 TIP3 8354 53.076 41.838 64.806 1.00 0.00 WT1 H ATOM 24321 H2 TIP3 8354 54.003 42.753 65.578 1.00 0.00 WT1 H ATOM 24322 OH2 TIP3 8355 65.164 11.900 -8.041 1.00 0.00 WT1 O ATOM 24323 H1 TIP3 8355 65.498 12.675 -8.493 1.00 0.00 WT1 H ATOM 24324 H2 TIP3 8355 64.625 11.454 -8.694 1.00 0.00 WT1 H ATOM 24325 OH2 TIP3 8356 53.548 1.960 10.980 1.00 0.00 WT1 O ATOM 24326 H1 TIP3 8356 52.659 1.706 11.226 1.00 0.00 WT1 H ATOM 24327 H2 TIP3 8356 53.800 2.615 11.632 1.00 0.00 WT1 H ATOM 24328 OH2 TIP3 8357 30.936 84.407 -18.266 1.00 0.00 WT1 O ATOM 24329 H1 TIP3 8357 30.358 85.170 -18.290 1.00 0.00 WT1 H ATOM 24330 H2 TIP3 8357 31.774 84.730 -18.597 1.00 0.00 WT1 H ATOM 24331 OH2 TIP3 8358 85.213 36.088 -16.286 1.00 0.00 WT1 O ATOM 24332 H1 TIP3 8358 85.168 36.939 -16.722 1.00 0.00 WT1 H ATOM 24333 H2 TIP3 8358 84.454 36.077 -15.703 1.00 0.00 WT1 H ATOM 24334 OH2 TIP3 8359 68.426 89.087 33.177 1.00 0.00 WT1 O ATOM 24335 H1 TIP3 8359 67.650 89.578 33.448 1.00 0.00 WT1 H ATOM 24336 H2 TIP3 8359 68.485 88.367 33.805 1.00 0.00 WT1 H ATOM 24337 OH2 TIP3 8360 39.754 5.462 57.449 1.00 0.00 WT1 O ATOM 24338 H1 TIP3 8360 39.807 4.538 57.205 1.00 0.00 WT1 H ATOM 24339 H2 TIP3 8360 39.813 5.934 56.618 1.00 0.00 WT1 H ATOM 24340 OH2 TIP3 8361 60.029 71.733 26.987 1.00 0.00 WT1 O ATOM 24341 H1 TIP3 8361 60.416 72.040 26.166 1.00 0.00 WT1 H ATOM 24342 H2 TIP3 8361 59.108 71.582 26.776 1.00 0.00 WT1 H ATOM 24343 OH2 TIP3 8362 69.543 36.366 48.772 1.00 0.00 WT1 O ATOM 24344 H1 TIP3 8362 69.852 36.020 47.935 1.00 0.00 WT1 H ATOM 24345 H2 TIP3 8362 69.107 37.188 48.546 1.00 0.00 WT1 H ATOM 24346 OH2 TIP3 8363 83.219 79.334 48.011 1.00 0.00 WT1 O ATOM 24347 H1 TIP3 8363 83.884 79.726 48.577 1.00 0.00 WT1 H ATOM 24348 H2 TIP3 8363 82.915 80.057 47.462 1.00 0.00 WT1 H ATOM 24349 OH2 TIP3 8364 24.862 93.128 2.927 1.00 0.00 WT1 O ATOM 24350 H1 TIP3 8364 25.679 92.855 3.346 1.00 0.00 WT1 H ATOM 24351 H2 TIP3 8364 24.708 94.014 3.254 1.00 0.00 WT1 H ATOM 24352 OH2 TIP3 8365 78.550 34.842 23.223 1.00 0.00 WT1 O ATOM 24353 H1 TIP3 8365 77.940 35.235 22.598 1.00 0.00 WT1 H ATOM 24354 H2 TIP3 8365 79.328 34.641 22.704 1.00 0.00 WT1 H ATOM 24355 OH2 TIP3 8366 69.076 38.487 4.067 1.00 0.00 WT1 O ATOM 24356 H1 TIP3 8366 69.029 39.433 3.923 1.00 0.00 WT1 H ATOM 24357 H2 TIP3 8366 68.718 38.360 4.945 1.00 0.00 WT1 H ATOM 24358 OH2 TIP3 8367 49.747 33.897 1.010 1.00 0.00 WT1 O ATOM 24359 H1 TIP3 8367 49.081 33.242 1.221 1.00 0.00 WT1 H ATOM 24360 H2 TIP3 8367 50.001 34.262 1.857 1.00 0.00 WT1 H ATOM 24361 OH2 TIP3 8368 88.716 88.728 -10.128 1.00 0.00 WT1 O ATOM 24362 H1 TIP3 8368 89.281 88.477 -9.398 1.00 0.00 WT1 H ATOM 24363 H2 TIP3 8368 87.838 88.769 -9.750 1.00 0.00 WT1 H ATOM 24364 OH2 TIP3 8369 68.278 52.503 6.858 1.00 0.00 WT1 O ATOM 24365 H1 TIP3 8369 67.403 52.447 6.474 1.00 0.00 WT1 H ATOM 24366 H2 TIP3 8369 68.126 52.509 7.803 1.00 0.00 WT1 H ATOM 24367 OH2 TIP3 8370 72.807 16.178 7.835 1.00 0.00 WT1 O ATOM 24368 H1 TIP3 8370 73.334 16.807 7.343 1.00 0.00 WT1 H ATOM 24369 H2 TIP3 8370 73.052 15.325 7.475 1.00 0.00 WT1 H ATOM 24370 OH2 TIP3 8371 33.581 88.816 33.636 1.00 0.00 WT1 O ATOM 24371 H1 TIP3 8371 34.145 88.725 34.404 1.00 0.00 WT1 H ATOM 24372 H2 TIP3 8371 32.693 88.830 33.992 1.00 0.00 WT1 H ATOM 24373 OH2 TIP3 8372 36.628 78.699 50.758 1.00 0.00 WT1 O ATOM 24374 H1 TIP3 8372 36.815 78.456 49.852 1.00 0.00 WT1 H ATOM 24375 H2 TIP3 8372 36.367 79.619 50.711 1.00 0.00 WT1 H ATOM 24376 OH2 TIP3 8373 52.326 79.495 39.991 1.00 0.00 WT1 O ATOM 24377 H1 TIP3 8373 51.760 80.033 40.545 1.00 0.00 WT1 H ATOM 24378 H2 TIP3 8373 52.805 80.126 39.453 1.00 0.00 WT1 H ATOM 24379 OH2 TIP3 8374 81.465 24.394 -9.952 1.00 0.00 WT1 O ATOM 24380 H1 TIP3 8374 81.253 25.173 -10.467 1.00 0.00 WT1 H ATOM 24381 H2 TIP3 8374 82.395 24.242 -10.120 1.00 0.00 WT1 H ATOM 24382 OH2 TIP3 8375 79.646 74.744 -10.177 1.00 0.00 WT1 O ATOM 24383 H1 TIP3 8375 79.780 75.600 -9.771 1.00 0.00 WT1 H ATOM 24384 H2 TIP3 8375 79.490 74.151 -9.442 1.00 0.00 WT1 H ATOM 24385 OH2 TIP3 8376 83.149 83.365 -16.615 1.00 0.00 WT1 O ATOM 24386 H1 TIP3 8376 84.059 83.086 -16.719 1.00 0.00 WT1 H ATOM 24387 H2 TIP3 8376 83.177 84.022 -15.919 1.00 0.00 WT1 H ATOM 24388 OH2 TIP3 8377 64.085 19.889 19.586 1.00 0.00 WT1 O ATOM 24389 H1 TIP3 8377 63.410 20.127 18.950 1.00 0.00 WT1 H ATOM 24390 H2 TIP3 8377 63.602 19.706 20.392 1.00 0.00 WT1 H ATOM 24391 OH2 TIP3 8378 42.767 13.960 -8.953 1.00 0.00 WT1 O ATOM 24392 H1 TIP3 8378 41.912 14.084 -8.541 1.00 0.00 WT1 H ATOM 24393 H2 TIP3 8378 42.575 13.509 -9.775 1.00 0.00 WT1 H ATOM 24394 OH2 TIP3 8379 72.532 55.886 3.377 1.00 0.00 WT1 O ATOM 24395 H1 TIP3 8379 73.075 56.332 2.727 1.00 0.00 WT1 H ATOM 24396 H2 TIP3 8379 71.775 55.572 2.882 1.00 0.00 WT1 H ATOM 24397 OH2 TIP3 8380 22.294 16.458 -13.707 1.00 0.00 WT1 O ATOM 24398 H1 TIP3 8380 22.242 17.407 -13.592 1.00 0.00 WT1 H ATOM 24399 H2 TIP3 8380 23.174 16.306 -14.053 1.00 0.00 WT1 H ATOM 24400 OH2 TIP3 8381 82.908 61.066 -15.045 1.00 0.00 WT1 O ATOM 24401 H1 TIP3 8381 82.121 60.539 -14.909 1.00 0.00 WT1 H ATOM 24402 H2 TIP3 8381 83.600 60.426 -15.212 1.00 0.00 WT1 H ATOM 24403 OH2 TIP3 8382 43.973 88.809 7.682 1.00 0.00 WT1 O ATOM 24404 H1 TIP3 8382 43.393 89.354 8.215 1.00 0.00 WT1 H ATOM 24405 H2 TIP3 8382 43.720 87.911 7.895 1.00 0.00 WT1 H ATOM 24406 OH2 TIP3 8383 82.020 7.563 45.318 1.00 0.00 WT1 O ATOM 24407 H1 TIP3 8383 81.601 6.756 45.616 1.00 0.00 WT1 H ATOM 24408 H2 TIP3 8383 82.955 7.357 45.305 1.00 0.00 WT1 H ATOM 24409 OH2 TIP3 8384 72.269 82.909 22.984 1.00 0.00 WT1 O ATOM 24410 H1 TIP3 8384 71.675 82.489 22.361 1.00 0.00 WT1 H ATOM 24411 H2 TIP3 8384 72.935 83.325 22.438 1.00 0.00 WT1 H ATOM 24412 OH2 TIP3 8385 25.283 3.101 44.596 1.00 0.00 WT1 O ATOM 24413 H1 TIP3 8385 25.729 3.934 44.748 1.00 0.00 WT1 H ATOM 24414 H2 TIP3 8385 24.758 2.963 45.384 1.00 0.00 WT1 H ATOM 24415 OH2 TIP3 8386 22.815 83.271 26.131 1.00 0.00 WT1 O ATOM 24416 H1 TIP3 8386 22.556 82.659 25.443 1.00 0.00 WT1 H ATOM 24417 H2 TIP3 8386 21.988 83.586 26.497 1.00 0.00 WT1 H ATOM 24418 OH2 TIP3 8387 22.558 82.778 -14.550 1.00 0.00 WT1 O ATOM 24419 H1 TIP3 8387 22.309 82.203 -15.273 1.00 0.00 WT1 H ATOM 24420 H2 TIP3 8387 23.418 82.461 -14.276 1.00 0.00 WT1 H ATOM 24421 OH2 TIP3 8388 51.989 24.763 3.829 1.00 0.00 WT1 O ATOM 24422 H1 TIP3 8388 51.852 23.858 4.107 1.00 0.00 WT1 H ATOM 24423 H2 TIP3 8388 52.221 25.229 4.632 1.00 0.00 WT1 H ATOM 24424 OH2 TIP3 8389 30.313 91.670 41.527 1.00 0.00 WT1 O ATOM 24425 H1 TIP3 8389 30.212 92.554 41.880 1.00 0.00 WT1 H ATOM 24426 H2 TIP3 8389 29.508 91.217 41.778 1.00 0.00 WT1 H ATOM 24427 OH2 TIP3 8390 52.509 68.923 62.968 1.00 0.00 WT1 O ATOM 24428 H1 TIP3 8390 52.530 69.323 63.837 1.00 0.00 WT1 H ATOM 24429 H2 TIP3 8390 52.590 69.660 62.363 1.00 0.00 WT1 H ATOM 24430 OH2 TIP3 8391 48.438 14.867 39.525 1.00 0.00 WT1 O ATOM 24431 H1 TIP3 8391 47.690 15.144 38.996 1.00 0.00 WT1 H ATOM 24432 H2 TIP3 8391 48.651 15.632 40.060 1.00 0.00 WT1 H ATOM 24433 OH2 TIP3 8392 71.325 9.230 8.948 1.00 0.00 WT1 O ATOM 24434 H1 TIP3 8392 72.241 9.349 9.197 1.00 0.00 WT1 H ATOM 24435 H2 TIP3 8392 71.353 9.044 8.010 1.00 0.00 WT1 H ATOM 24436 OH2 TIP3 8393 71.177 28.328 52.371 1.00 0.00 WT1 O ATOM 24437 H1 TIP3 8393 71.599 29.152 52.129 1.00 0.00 WT1 H ATOM 24438 H2 TIP3 8393 70.289 28.401 52.022 1.00 0.00 WT1 H ATOM 24439 OH2 TIP3 8394 29.696 62.380 21.872 1.00 0.00 WT1 O ATOM 24440 H1 TIP3 8394 30.157 63.017 21.326 1.00 0.00 WT1 H ATOM 24441 H2 TIP3 8394 30.393 61.900 22.320 1.00 0.00 WT1 H ATOM 24442 OH2 TIP3 8396 66.693 89.056 6.072 1.00 0.00 WT1 O ATOM 24443 H1 TIP3 8396 66.045 89.673 6.411 1.00 0.00 WT1 H ATOM 24444 H2 TIP3 8396 67.110 89.521 5.346 1.00 0.00 WT1 H ATOM 24445 OH2 TIP3 8397 85.899 87.034 47.514 1.00 0.00 WT1 O ATOM 24446 H1 TIP3 8397 85.340 87.301 46.785 1.00 0.00 WT1 H ATOM 24447 H2 TIP3 8397 85.581 87.542 48.260 1.00 0.00 WT1 H ATOM 24448 OH2 TIP3 8398 45.732 54.175 39.985 1.00 0.00 WT1 O ATOM 24449 H1 TIP3 8398 46.662 54.379 40.088 1.00 0.00 WT1 H ATOM 24450 H2 TIP3 8398 45.289 55.018 40.086 1.00 0.00 WT1 H ATOM 24451 OH2 TIP3 8399 54.768 86.160 37.444 1.00 0.00 WT1 O ATOM 24452 H1 TIP3 8399 55.067 85.684 38.219 1.00 0.00 WT1 H ATOM 24453 H2 TIP3 8399 55.325 85.838 36.735 1.00 0.00 WT1 H ATOM 24454 OH2 TIP3 8400 55.829 12.531 15.905 1.00 0.00 WT1 O ATOM 24455 H1 TIP3 8400 56.581 11.943 15.974 1.00 0.00 WT1 H ATOM 24456 H2 TIP3 8400 56.211 13.385 15.699 1.00 0.00 WT1 H ATOM 24457 OH2 TIP3 8401 20.818 49.934 53.048 1.00 0.00 WT1 O ATOM 24458 H1 TIP3 8401 21.621 49.915 52.527 1.00 0.00 WT1 H ATOM 24459 H2 TIP3 8401 20.404 49.087 52.881 1.00 0.00 WT1 H ATOM 24460 OH2 TIP3 8402 39.930 85.842 64.577 1.00 0.00 WT1 O ATOM 24461 H1 TIP3 8402 39.880 85.144 65.229 1.00 0.00 WT1 H ATOM 24462 H2 TIP3 8402 40.818 85.777 64.224 1.00 0.00 WT1 H ATOM 24463 OH2 TIP3 8403 58.751 34.328 -10.792 1.00 0.00 WT1 O ATOM 24464 H1 TIP3 8403 59.118 34.898 -10.116 1.00 0.00 WT1 H ATOM 24465 H2 TIP3 8403 58.077 33.821 -10.338 1.00 0.00 WT1 H ATOM 24466 OH2 TIP3 8404 78.696 49.980 38.344 1.00 0.00 WT1 O ATOM 24467 H1 TIP3 8404 79.594 49.843 38.041 1.00 0.00 WT1 H ATOM 24468 H2 TIP3 8404 78.276 50.467 37.635 1.00 0.00 WT1 H ATOM 24469 OH2 TIP3 8405 31.153 23.418 37.082 1.00 0.00 WT1 O ATOM 24470 H1 TIP3 8405 31.616 23.803 37.826 1.00 0.00 WT1 H ATOM 24471 H2 TIP3 8405 30.417 24.010 36.926 1.00 0.00 WT1 H ATOM 24472 OH2 TIP3 8406 79.007 17.563 -0.893 1.00 0.00 WT1 O ATOM 24473 H1 TIP3 8406 78.654 16.673 -0.879 1.00 0.00 WT1 H ATOM 24474 H2 TIP3 8406 79.760 17.531 -0.303 1.00 0.00 WT1 H ATOM 24475 OH2 TIP3 8407 35.155 82.791 2.206 1.00 0.00 WT1 O ATOM 24476 H1 TIP3 8407 35.258 83.742 2.204 1.00 0.00 WT1 H ATOM 24477 H2 TIP3 8407 36.031 82.454 2.023 1.00 0.00 WT1 H ATOM 24478 OH2 TIP3 8408 24.076 28.836 -4.939 1.00 0.00 WT1 O ATOM 24479 H1 TIP3 8408 24.906 29.104 -5.334 1.00 0.00 WT1 H ATOM 24480 H2 TIP3 8408 23.710 29.643 -4.578 1.00 0.00 WT1 H ATOM 24481 OH2 TIP3 8409 27.220 6.235 18.022 1.00 0.00 WT1 O ATOM 24482 H1 TIP3 8409 28.166 6.380 18.060 1.00 0.00 WT1 H ATOM 24483 H2 TIP3 8409 27.044 5.615 18.730 1.00 0.00 WT1 H ATOM 24484 OH2 TIP3 8410 26.348 71.524 -2.535 1.00 0.00 WT1 O ATOM 24485 H1 TIP3 8410 26.980 70.967 -2.081 1.00 0.00 WT1 H ATOM 24486 H2 TIP3 8410 25.944 72.043 -1.840 1.00 0.00 WT1 H ATOM 24487 OH2 TIP3 8411 87.646 10.563 54.863 1.00 0.00 WT1 O ATOM 24488 H1 TIP3 8411 87.595 10.424 55.809 1.00 0.00 WT1 H ATOM 24489 H2 TIP3 8411 87.484 9.698 54.485 1.00 0.00 WT1 H ATOM 24490 OH2 TIP3 8412 24.946 3.932 61.107 1.00 0.00 WT1 O ATOM 24491 H1 TIP3 8412 25.760 3.805 61.593 1.00 0.00 WT1 H ATOM 24492 H2 TIP3 8412 25.193 4.488 60.367 1.00 0.00 WT1 H ATOM 24493 OH2 TIP3 8413 67.404 72.131 16.667 1.00 0.00 WT1 O ATOM 24494 H1 TIP3 8413 66.462 72.230 16.524 1.00 0.00 WT1 H ATOM 24495 H2 TIP3 8413 67.604 71.253 16.340 1.00 0.00 WT1 H ATOM 24496 OH2 TIP3 8414 58.053 15.785 -0.833 1.00 0.00 WT1 O ATOM 24497 H1 TIP3 8414 57.513 16.570 -0.934 1.00 0.00 WT1 H ATOM 24498 H2 TIP3 8414 58.759 15.897 -1.469 1.00 0.00 WT1 H ATOM 24499 OH2 TIP3 8415 54.540 78.491 58.488 1.00 0.00 WT1 O ATOM 24500 H1 TIP3 8415 54.603 77.705 59.031 1.00 0.00 WT1 H ATOM 24501 H2 TIP3 8415 53.865 78.283 57.842 1.00 0.00 WT1 H ATOM 24502 OH2 TIP3 8416 77.892 26.830 26.125 1.00 0.00 WT1 O ATOM 24503 H1 TIP3 8416 78.459 27.588 25.983 1.00 0.00 WT1 H ATOM 24504 H2 TIP3 8416 78.256 26.399 26.899 1.00 0.00 WT1 H ATOM 24505 OH2 TIP3 8417 24.166 3.022 12.309 1.00 0.00 WT1 O ATOM 24506 H1 TIP3 8417 24.038 2.249 12.860 1.00 0.00 WT1 H ATOM 24507 H2 TIP3 8417 24.246 3.747 12.928 1.00 0.00 WT1 H ATOM 24508 OH2 TIP3 8418 82.749 88.255 13.408 1.00 0.00 WT1 O ATOM 24509 H1 TIP3 8418 82.777 87.975 14.323 1.00 0.00 WT1 H ATOM 24510 H2 TIP3 8418 83.127 87.523 12.921 1.00 0.00 WT1 H ATOM 24511 OH2 TIP3 8419 83.173 17.672 66.745 1.00 0.00 WT1 O ATOM 24512 H1 TIP3 8419 82.555 17.435 66.054 1.00 0.00 WT1 H ATOM 24513 H2 TIP3 8419 83.967 17.934 66.278 1.00 0.00 WT1 H ATOM 24514 OH2 TIP3 8420 60.757 36.644 38.279 1.00 0.00 WT1 O ATOM 24515 H1 TIP3 8420 60.288 37.273 37.731 1.00 0.00 WT1 H ATOM 24516 H2 TIP3 8420 60.682 35.813 37.809 1.00 0.00 WT1 H ATOM 24517 OH2 TIP3 8422 73.410 93.028 44.759 1.00 0.00 WT1 O ATOM 24518 H1 TIP3 8422 72.639 93.582 44.635 1.00 0.00 WT1 H ATOM 24519 H2 TIP3 8422 73.769 92.916 43.879 1.00 0.00 WT1 H ATOM 24520 OH2 TIP3 8423 57.373 66.921 47.799 1.00 0.00 WT1 O ATOM 24521 H1 TIP3 8423 56.987 67.791 47.899 1.00 0.00 WT1 H ATOM 24522 H2 TIP3 8423 56.869 66.365 48.393 1.00 0.00 WT1 H ATOM 24523 OH2 TIP3 8424 60.108 31.752 42.144 1.00 0.00 WT1 O ATOM 24524 H1 TIP3 8424 60.472 32.396 42.752 1.00 0.00 WT1 H ATOM 24525 H2 TIP3 8424 59.731 32.275 41.437 1.00 0.00 WT1 H ATOM 24526 OH2 TIP3 8425 51.058 73.549 66.165 1.00 0.00 WT1 O ATOM 24527 H1 TIP3 8425 50.442 73.879 65.510 1.00 0.00 WT1 H ATOM 24528 H2 TIP3 8425 50.530 72.982 66.726 1.00 0.00 WT1 H ATOM 24529 OH2 TIP3 8426 29.563 51.365 16.877 1.00 0.00 WT1 O ATOM 24530 H1 TIP3 8426 29.960 50.548 16.578 1.00 0.00 WT1 H ATOM 24531 H2 TIP3 8426 29.644 51.337 17.831 1.00 0.00 WT1 H ATOM 24532 OH2 TIP3 8427 69.759 40.867 -17.608 1.00 0.00 WT1 O ATOM 24533 H1 TIP3 8427 68.910 40.622 -17.238 1.00 0.00 WT1 H ATOM 24534 H2 TIP3 8427 69.556 41.560 -18.237 1.00 0.00 WT1 H ATOM 24535 OH2 TIP3 8428 68.350 48.193 9.615 1.00 0.00 WT1 O ATOM 24536 H1 TIP3 8428 67.423 48.417 9.531 1.00 0.00 WT1 H ATOM 24537 H2 TIP3 8428 68.595 48.508 10.485 1.00 0.00 WT1 H ATOM 24538 OH2 TIP3 8429 79.029 20.793 -3.857 1.00 0.00 WT1 O ATOM 24539 H1 TIP3 8429 79.081 21.634 -3.402 1.00 0.00 WT1 H ATOM 24540 H2 TIP3 8429 79.925 20.455 -3.839 1.00 0.00 WT1 H ATOM 24541 OH2 TIP3 8430 49.979 37.597 0.013 1.00 0.00 WT1 O ATOM 24542 H1 TIP3 8430 49.903 37.100 0.827 1.00 0.00 WT1 H ATOM 24543 H2 TIP3 8430 50.314 38.452 0.284 1.00 0.00 WT1 H ATOM 24544 OH2 TIP3 8431 65.275 72.660 -3.556 1.00 0.00 WT1 O ATOM 24545 H1 TIP3 8431 64.360 72.909 -3.421 1.00 0.00 WT1 H ATOM 24546 H2 TIP3 8431 65.247 72.027 -4.274 1.00 0.00 WT1 H ATOM 24547 OH2 TIP3 8432 35.980 2.080 8.328 1.00 0.00 WT1 O ATOM 24548 H1 TIP3 8432 36.176 1.379 8.951 1.00 0.00 WT1 H ATOM 24549 H2 TIP3 8432 35.112 2.392 8.584 1.00 0.00 WT1 H ATOM 24550 OH2 TIP3 8433 41.238 25.447 23.569 1.00 0.00 WT1 O ATOM 24551 H1 TIP3 8433 40.347 25.780 23.470 1.00 0.00 WT1 H ATOM 24552 H2 TIP3 8433 41.525 25.259 22.676 1.00 0.00 WT1 H ATOM 24553 OH2 TIP3 8434 42.774 9.695 18.968 1.00 0.00 WT1 O ATOM 24554 H1 TIP3 8434 41.961 9.842 18.485 1.00 0.00 WT1 H ATOM 24555 H2 TIP3 8434 42.522 9.764 19.889 1.00 0.00 WT1 H ATOM 24556 OH2 TIP3 8435 57.711 23.019 65.463 1.00 0.00 WT1 O ATOM 24557 H1 TIP3 8435 57.937 22.350 66.110 1.00 0.00 WT1 H ATOM 24558 H2 TIP3 8435 56.757 23.082 65.506 1.00 0.00 WT1 H ATOM 24559 OH2 TIP3 8436 37.956 13.559 8.320 1.00 0.00 WT1 O ATOM 24560 H1 TIP3 8436 37.301 13.622 7.625 1.00 0.00 WT1 H ATOM 24561 H2 TIP3 8436 37.676 12.811 8.847 1.00 0.00 WT1 H ATOM 24562 OH2 TIP3 8437 22.639 8.382 33.733 1.00 0.00 WT1 O ATOM 24563 H1 TIP3 8437 22.923 9.116 33.189 1.00 0.00 WT1 H ATOM 24564 H2 TIP3 8437 21.692 8.338 33.602 1.00 0.00 WT1 H ATOM 24565 OH2 TIP3 8438 59.879 37.102 53.066 1.00 0.00 WT1 O ATOM 24566 H1 TIP3 8438 60.260 37.559 52.316 1.00 0.00 WT1 H ATOM 24567 H2 TIP3 8438 58.939 37.271 52.997 1.00 0.00 WT1 H ATOM 24568 OH2 TIP3 8439 64.154 25.782 53.110 1.00 0.00 WT1 O ATOM 24569 H1 TIP3 8439 63.755 25.160 53.718 1.00 0.00 WT1 H ATOM 24570 H2 TIP3 8439 63.467 25.967 52.469 1.00 0.00 WT1 H ATOM 24571 OH2 TIP3 8441 76.362 32.510 56.034 1.00 0.00 WT1 O ATOM 24572 H1 TIP3 8441 76.397 32.245 55.115 1.00 0.00 WT1 H ATOM 24573 H2 TIP3 8441 75.755 31.891 56.439 1.00 0.00 WT1 H ATOM 24574 OH2 TIP3 8442 76.972 81.458 66.079 1.00 0.00 WT1 O ATOM 24575 H1 TIP3 8442 76.330 80.766 66.239 1.00 0.00 WT1 H ATOM 24576 H2 TIP3 8442 77.584 81.391 66.812 1.00 0.00 WT1 H ATOM 24577 OH2 TIP3 8443 65.427 50.182 23.260 1.00 0.00 WT1 O ATOM 24578 H1 TIP3 8443 65.153 50.069 22.350 1.00 0.00 WT1 H ATOM 24579 H2 TIP3 8443 65.257 51.104 23.450 1.00 0.00 WT1 H ATOM 24580 OH2 TIP3 8444 38.981 19.345 20.656 1.00 0.00 WT1 O ATOM 24581 H1 TIP3 8444 39.073 18.409 20.833 1.00 0.00 WT1 H ATOM 24582 H2 TIP3 8444 39.404 19.471 19.807 1.00 0.00 WT1 H ATOM 24583 OH2 TIP3 8445 90.572 38.900 17.729 1.00 0.00 WT1 O ATOM 24584 H1 TIP3 8445 89.678 38.684 17.463 1.00 0.00 WT1 H ATOM 24585 H2 TIP3 8445 90.601 38.692 18.662 1.00 0.00 WT1 H ATOM 24586 OH2 TIP3 8446 59.510 11.939 17.224 1.00 0.00 WT1 O ATOM 24587 H1 TIP3 8446 59.736 11.009 17.238 1.00 0.00 WT1 H ATOM 24588 H2 TIP3 8446 60.201 12.346 16.701 1.00 0.00 WT1 H ATOM 24589 OH2 TIP3 8448 26.270 43.919 -4.835 1.00 0.00 WT1 O ATOM 24590 H1 TIP3 8448 27.143 43.805 -4.460 1.00 0.00 WT1 H ATOM 24591 H2 TIP3 8448 25.825 44.513 -4.230 1.00 0.00 WT1 H ATOM 24592 OH2 TIP3 8450 85.665 81.254 -4.973 1.00 0.00 WT1 O ATOM 24593 H1 TIP3 8450 85.897 80.413 -5.367 1.00 0.00 WT1 H ATOM 24594 H2 TIP3 8450 86.318 81.385 -4.286 1.00 0.00 WT1 H ATOM 24595 OH2 TIP3 8451 29.951 88.291 59.146 1.00 0.00 WT1 O ATOM 24596 H1 TIP3 8451 29.622 87.603 58.567 1.00 0.00 WT1 H ATOM 24597 H2 TIP3 8451 29.520 89.089 58.839 1.00 0.00 WT1 H ATOM 24598 OH2 TIP3 8453 25.685 3.777 3.396 1.00 0.00 WT1 O ATOM 24599 H1 TIP3 8453 24.815 4.149 3.540 1.00 0.00 WT1 H ATOM 24600 H2 TIP3 8453 25.518 2.922 2.998 1.00 0.00 WT1 H ATOM 24601 OH2 TIP3 8454 84.861 18.743 9.399 1.00 0.00 WT1 O ATOM 24602 H1 TIP3 8454 85.227 19.503 8.947 1.00 0.00 WT1 H ATOM 24603 H2 TIP3 8454 83.949 18.709 9.111 1.00 0.00 WT1 H ATOM 24604 OH2 TIP3 8455 29.724 44.077 28.204 1.00 0.00 WT1 O ATOM 24605 H1 TIP3 8455 28.874 44.224 27.789 1.00 0.00 WT1 H ATOM 24606 H2 TIP3 8455 30.162 43.442 27.637 1.00 0.00 WT1 H ATOM 24607 OH2 TIP3 8456 42.910 4.148 19.714 1.00 0.00 WT1 O ATOM 24608 H1 TIP3 8456 43.648 3.721 20.149 1.00 0.00 WT1 H ATOM 24609 H2 TIP3 8456 42.137 3.702 20.059 1.00 0.00 WT1 H ATOM 24610 OH2 TIP3 8457 82.783 9.839 -7.293 1.00 0.00 WT1 O ATOM 24611 H1 TIP3 8457 83.712 9.925 -7.509 1.00 0.00 WT1 H ATOM 24612 H2 TIP3 8457 82.614 10.550 -6.674 1.00 0.00 WT1 H ATOM 24613 OH2 TIP3 8458 34.430 79.777 57.992 1.00 0.00 WT1 O ATOM 24614 H1 TIP3 8458 34.616 80.716 57.985 1.00 0.00 WT1 H ATOM 24615 H2 TIP3 8458 35.233 79.370 57.666 1.00 0.00 WT1 H ATOM 24616 OH2 TIP3 8459 63.713 81.232 5.314 1.00 0.00 WT1 O ATOM 24617 H1 TIP3 8459 64.039 80.662 4.618 1.00 0.00 WT1 H ATOM 24618 H2 TIP3 8459 62.999 80.736 5.715 1.00 0.00 WT1 H ATOM 24619 OH2 TIP3 8460 44.327 62.624 43.702 1.00 0.00 WT1 O ATOM 24620 H1 TIP3 8460 44.603 63.031 42.881 1.00 0.00 WT1 H ATOM 24621 H2 TIP3 8460 45.145 62.395 44.144 1.00 0.00 WT1 H ATOM 24622 OH2 TIP3 8461 49.807 92.614 -18.894 1.00 0.00 WT1 O ATOM 24623 H1 TIP3 8461 49.489 93.196 -19.584 1.00 0.00 WT1 H ATOM 24624 H2 TIP3 8461 50.754 92.572 -19.033 1.00 0.00 WT1 H ATOM 24625 OH2 TIP3 8462 25.579 13.540 56.864 1.00 0.00 WT1 O ATOM 24626 H1 TIP3 8462 24.909 12.931 56.554 1.00 0.00 WT1 H ATOM 24627 H2 TIP3 8462 26.020 13.071 57.572 1.00 0.00 WT1 H ATOM 24628 OH2 TIP3 8463 70.214 18.876 33.188 1.00 0.00 WT1 O ATOM 24629 H1 TIP3 8463 70.917 19.037 33.817 1.00 0.00 WT1 H ATOM 24630 H2 TIP3 8463 69.872 18.014 33.425 1.00 0.00 WT1 H ATOM 24631 OH2 TIP3 8464 41.986 86.217 41.956 1.00 0.00 WT1 O ATOM 24632 H1 TIP3 8464 42.501 86.289 42.760 1.00 0.00 WT1 H ATOM 24633 H2 TIP3 8464 41.547 85.370 42.027 1.00 0.00 WT1 H ATOM 24634 OH2 TIP3 8465 71.116 27.672 -8.298 1.00 0.00 WT1 O ATOM 24635 H1 TIP3 8465 70.266 27.281 -8.499 1.00 0.00 WT1 H ATOM 24636 H2 TIP3 8465 71.684 26.926 -8.105 1.00 0.00 WT1 H ATOM 24637 OH2 TIP3 8466 84.881 92.456 54.493 1.00 0.00 WT1 O ATOM 24638 H1 TIP3 8466 84.506 91.577 54.446 1.00 0.00 WT1 H ATOM 24639 H2 TIP3 8466 85.752 92.367 54.108 1.00 0.00 WT1 H ATOM 24640 OH2 TIP3 8467 42.722 6.764 65.924 1.00 0.00 WT1 O ATOM 24641 H1 TIP3 8467 42.314 7.217 65.186 1.00 0.00 WT1 H ATOM 24642 H2 TIP3 8467 42.978 5.912 65.570 1.00 0.00 WT1 H ATOM 24643 OH2 TIP3 8468 26.973 31.562 60.966 1.00 0.00 WT1 O ATOM 24644 H1 TIP3 8468 27.884 31.411 60.715 1.00 0.00 WT1 H ATOM 24645 H2 TIP3 8468 26.984 32.408 61.412 1.00 0.00 WT1 H ATOM 24646 OH2 TIP3 8469 63.891 21.858 31.393 1.00 0.00 WT1 O ATOM 24647 H1 TIP3 8469 64.076 21.175 32.038 1.00 0.00 WT1 H ATOM 24648 H2 TIP3 8469 64.643 21.839 30.801 1.00 0.00 WT1 H ATOM 24649 OH2 TIP3 8470 21.014 44.526 -9.327 1.00 0.00 WT1 O ATOM 24650 H1 TIP3 8470 20.560 43.753 -8.992 1.00 0.00 WT1 H ATOM 24651 H2 TIP3 8470 21.724 44.677 -8.702 1.00 0.00 WT1 H ATOM 24652 OH2 TIP3 8471 25.876 37.619 11.735 1.00 0.00 WT1 O ATOM 24653 H1 TIP3 8471 25.275 38.352 11.873 1.00 0.00 WT1 H ATOM 24654 H2 TIP3 8471 26.664 37.861 12.221 1.00 0.00 WT1 H ATOM 24655 OH2 TIP3 8472 26.634 23.597 -4.139 1.00 0.00 WT1 O ATOM 24656 H1 TIP3 8472 27.405 24.165 -4.147 1.00 0.00 WT1 H ATOM 24657 H2 TIP3 8472 26.499 23.389 -3.214 1.00 0.00 WT1 H ATOM 24658 OH2 TIP3 8473 78.715 34.625 29.435 1.00 0.00 WT1 O ATOM 24659 H1 TIP3 8473 77.762 34.551 29.477 1.00 0.00 WT1 H ATOM 24660 H2 TIP3 8473 78.887 35.041 28.590 1.00 0.00 WT1 H ATOM 24661 OH2 TIP3 8474 33.881 29.616 33.050 1.00 0.00 WT1 O ATOM 24662 H1 TIP3 8474 33.392 30.280 32.564 1.00 0.00 WT1 H ATOM 24663 H2 TIP3 8474 34.747 29.610 32.643 1.00 0.00 WT1 H ATOM 24664 OH2 TIP3 8475 39.420 42.767 1.200 1.00 0.00 WT1 O ATOM 24665 H1 TIP3 8475 40.063 42.088 0.994 1.00 0.00 WT1 H ATOM 24666 H2 TIP3 8475 38.685 42.292 1.586 1.00 0.00 WT1 H ATOM 24667 OH2 TIP3 8476 27.729 30.373 22.081 1.00 0.00 WT1 O ATOM 24668 H1 TIP3 8476 28.219 31.172 21.887 1.00 0.00 WT1 H ATOM 24669 H2 TIP3 8476 27.054 30.650 22.700 1.00 0.00 WT1 H ATOM 24670 OH2 TIP3 8477 23.808 9.962 64.485 1.00 0.00 WT1 O ATOM 24671 H1 TIP3 8477 24.007 10.898 64.458 1.00 0.00 WT1 H ATOM 24672 H2 TIP3 8477 24.014 9.700 65.383 1.00 0.00 WT1 H ATOM 24673 OH2 TIP3 8478 79.185 76.883 45.540 1.00 0.00 WT1 O ATOM 24674 H1 TIP3 8478 79.821 76.389 46.059 1.00 0.00 WT1 H ATOM 24675 H2 TIP3 8478 79.584 76.950 44.673 1.00 0.00 WT1 H ATOM 24676 OH2 TIP3 8479 35.926 15.835 18.084 1.00 0.00 WT1 O ATOM 24677 H1 TIP3 8479 36.765 15.663 17.655 1.00 0.00 WT1 H ATOM 24678 H2 TIP3 8479 35.705 16.730 17.828 1.00 0.00 WT1 H ATOM 24679 OH2 TIP3 8480 88.593 38.343 57.606 1.00 0.00 WT1 O ATOM 24680 H1 TIP3 8480 89.161 38.001 56.917 1.00 0.00 WT1 H ATOM 24681 H2 TIP3 8480 87.766 37.875 57.490 1.00 0.00 WT1 H ATOM 24682 OH2 TIP3 8481 28.553 13.032 28.523 1.00 0.00 WT1 O ATOM 24683 H1 TIP3 8481 28.634 12.852 27.586 1.00 0.00 WT1 H ATOM 24684 H2 TIP3 8481 29.434 12.897 28.870 1.00 0.00 WT1 H ATOM 24685 OH2 TIP3 8482 36.734 8.521 28.358 1.00 0.00 WT1 O ATOM 24686 H1 TIP3 8482 36.475 7.817 28.953 1.00 0.00 WT1 H ATOM 24687 H2 TIP3 8482 35.934 9.029 28.226 1.00 0.00 WT1 H ATOM 24688 OH2 TIP3 8483 79.749 90.500 26.346 1.00 0.00 WT1 O ATOM 24689 H1 TIP3 8483 79.266 89.683 26.227 1.00 0.00 WT1 H ATOM 24690 H2 TIP3 8483 79.083 91.137 26.607 1.00 0.00 WT1 H ATOM 24691 OH2 TIP3 8484 76.836 23.476 44.453 1.00 0.00 WT1 O ATOM 24692 H1 TIP3 8484 76.834 23.586 43.502 1.00 0.00 WT1 H ATOM 24693 H2 TIP3 8484 76.733 22.534 44.587 1.00 0.00 WT1 H ATOM 24694 OH2 TIP3 8485 69.975 28.120 8.452 1.00 0.00 WT1 O ATOM 24695 H1 TIP3 8485 69.782 28.347 7.542 1.00 0.00 WT1 H ATOM 24696 H2 TIP3 8485 69.157 28.286 8.920 1.00 0.00 WT1 H ATOM 24697 OH2 TIP3 8486 26.296 12.679 -8.508 1.00 0.00 WT1 O ATOM 24698 H1 TIP3 8486 25.758 11.899 -8.373 1.00 0.00 WT1 H ATOM 24699 H2 TIP3 8486 26.846 12.730 -7.726 1.00 0.00 WT1 H ATOM 24700 OH2 TIP3 8487 71.511 39.252 31.083 1.00 0.00 WT1 O ATOM 24701 H1 TIP3 8487 72.448 39.354 31.248 1.00 0.00 WT1 H ATOM 24702 H2 TIP3 8487 71.459 38.571 30.412 1.00 0.00 WT1 H ATOM 24703 OH2 TIP3 8488 35.020 59.395 42.246 1.00 0.00 WT1 O ATOM 24704 H1 TIP3 8488 35.761 59.864 42.629 1.00 0.00 WT1 H ATOM 24705 H2 TIP3 8488 35.278 58.474 42.274 1.00 0.00 WT1 H ATOM 24706 OH2 TIP3 8489 33.133 24.941 2.344 1.00 0.00 WT1 O ATOM 24707 H1 TIP3 8489 32.748 24.936 3.221 1.00 0.00 WT1 H ATOM 24708 H2 TIP3 8489 32.429 25.251 1.775 1.00 0.00 WT1 H ATOM 24709 OH2 TIP3 8490 60.682 13.738 -12.467 1.00 0.00 WT1 O ATOM 24710 H1 TIP3 8490 59.922 14.301 -12.618 1.00 0.00 WT1 H ATOM 24711 H2 TIP3 8490 60.391 13.117 -11.799 1.00 0.00 WT1 H ATOM 24712 OH2 TIP3 8491 23.997 94.965 12.047 1.00 0.00 WT1 O ATOM 24713 H1 TIP3 8491 24.148 94.573 11.187 1.00 0.00 WT1 H ATOM 24714 H2 TIP3 8491 23.929 94.218 12.642 1.00 0.00 WT1 H ATOM 24715 OH2 TIP3 8492 76.171 29.993 28.218 1.00 0.00 WT1 O ATOM 24716 H1 TIP3 8492 76.479 29.525 27.442 1.00 0.00 WT1 H ATOM 24717 H2 TIP3 8492 76.807 30.698 28.341 1.00 0.00 WT1 H ATOM 24718 OH2 TIP3 8493 33.651 54.542 -6.589 1.00 0.00 WT1 O ATOM 24719 H1 TIP3 8493 33.276 53.943 -5.944 1.00 0.00 WT1 H ATOM 24720 H2 TIP3 8493 34.051 55.237 -6.067 1.00 0.00 WT1 H ATOM 24721 OH2 TIP3 8494 58.270 12.281 19.497 1.00 0.00 WT1 O ATOM 24722 H1 TIP3 8494 58.558 12.189 18.589 1.00 0.00 WT1 H ATOM 24723 H2 TIP3 8494 57.826 13.129 19.523 1.00 0.00 WT1 H ATOM 24724 OH2 TIP3 8495 47.186 92.512 -9.774 1.00 0.00 WT1 O ATOM 24725 H1 TIP3 8495 47.607 91.684 -10.005 1.00 0.00 WT1 H ATOM 24726 H2 TIP3 8495 46.605 92.291 -9.046 1.00 0.00 WT1 H ATOM 24727 OH2 TIP3 8496 21.763 9.636 61.163 1.00 0.00 WT1 O ATOM 24728 H1 TIP3 8496 22.215 9.551 60.323 1.00 0.00 WT1 H ATOM 24729 H2 TIP3 8496 22.308 10.240 61.667 1.00 0.00 WT1 H ATOM 24730 OH2 TIP3 8497 25.782 57.632 -2.490 1.00 0.00 WT1 O ATOM 24731 H1 TIP3 8497 25.396 57.067 -1.821 1.00 0.00 WT1 H ATOM 24732 H2 TIP3 8497 26.285 57.036 -3.046 1.00 0.00 WT1 H ATOM 24733 OH2 TIP3 8498 53.872 69.730 -5.952 1.00 0.00 WT1 O ATOM 24734 H1 TIP3 8498 53.727 69.385 -5.071 1.00 0.00 WT1 H ATOM 24735 H2 TIP3 8498 54.712 70.185 -5.896 1.00 0.00 WT1 H ATOM 24736 OH2 TIP3 8499 27.127 68.061 -3.025 1.00 0.00 WT1 O ATOM 24737 H1 TIP3 8499 26.184 68.119 -2.869 1.00 0.00 WT1 H ATOM 24738 H2 TIP3 8499 27.518 68.123 -2.154 1.00 0.00 WT1 H ATOM 24739 OH2 TIP3 8501 54.967 44.800 57.922 1.00 0.00 WT1 O ATOM 24740 H1 TIP3 8501 55.559 45.549 57.982 1.00 0.00 WT1 H ATOM 24741 H2 TIP3 8501 55.171 44.270 58.692 1.00 0.00 WT1 H ATOM 24742 OH2 TIP3 8502 31.525 17.515 45.926 1.00 0.00 WT1 O ATOM 24743 H1 TIP3 8502 31.004 17.423 46.724 1.00 0.00 WT1 H ATOM 24744 H2 TIP3 8502 32.227 18.119 46.167 1.00 0.00 WT1 H ATOM 24745 OH2 TIP3 8503 38.271 26.675 12.288 1.00 0.00 WT1 O ATOM 24746 H1 TIP3 8503 37.831 27.323 11.738 1.00 0.00 WT1 H ATOM 24747 H2 TIP3 8503 39.046 27.128 12.621 1.00 0.00 WT1 H ATOM 24748 OH2 TIP3 8504 25.161 0.281 24.178 1.00 0.00 WT1 O ATOM 24749 H1 TIP3 8504 25.500 0.107 25.056 1.00 0.00 WT1 H ATOM 24750 H2 TIP3 8504 25.564 1.112 23.926 1.00 0.00 WT1 H ATOM 24751 OH2 TIP3 8505 87.388 86.354 -1.058 1.00 0.00 WT1 O ATOM 24752 H1 TIP3 8505 86.815 85.999 -0.379 1.00 0.00 WT1 H ATOM 24753 H2 TIP3 8505 87.609 87.233 -0.750 1.00 0.00 WT1 H ATOM 24754 OH2 TIP3 8507 69.511 33.296 6.857 1.00 0.00 WT1 O ATOM 24755 H1 TIP3 8507 68.859 33.984 6.726 1.00 0.00 WT1 H ATOM 24756 H2 TIP3 8507 69.347 32.976 7.744 1.00 0.00 WT1 H ATOM 24757 OH2 TIP3 8508 82.125 21.052 50.977 1.00 0.00 WT1 O ATOM 24758 H1 TIP3 8508 81.208 20.848 51.162 1.00 0.00 WT1 H ATOM 24759 H2 TIP3 8508 82.578 20.213 51.055 1.00 0.00 WT1 H ATOM 24760 OH2 TIP3 8509 29.490 3.040 54.979 1.00 0.00 WT1 O ATOM 24761 H1 TIP3 8509 29.455 3.952 54.691 1.00 0.00 WT1 H ATOM 24762 H2 TIP3 8509 29.131 2.542 54.245 1.00 0.00 WT1 H ATOM 24763 OH2 TIP3 8510 48.476 24.050 35.038 1.00 0.00 WT1 O ATOM 24764 H1 TIP3 8510 48.147 23.834 34.166 1.00 0.00 WT1 H ATOM 24765 H2 TIP3 8510 48.820 24.939 34.952 1.00 0.00 WT1 H ATOM 24766 OH2 TIP3 8511 59.705 13.411 -2.832 1.00 0.00 WT1 O ATOM 24767 H1 TIP3 8511 60.131 12.621 -3.165 1.00 0.00 WT1 H ATOM 24768 H2 TIP3 8511 58.922 13.091 -2.384 1.00 0.00 WT1 H ATOM 24769 OH2 TIP3 8512 21.554 70.988 39.151 1.00 0.00 WT1 O ATOM 24770 H1 TIP3 8512 21.875 71.559 38.454 1.00 0.00 WT1 H ATOM 24771 H2 TIP3 8512 22.346 70.638 39.559 1.00 0.00 WT1 H ATOM 24772 OH2 TIP3 8513 62.660 75.918 18.952 1.00 0.00 WT1 O ATOM 24773 H1 TIP3 8513 62.817 75.233 19.601 1.00 0.00 WT1 H ATOM 24774 H2 TIP3 8513 63.533 76.238 18.725 1.00 0.00 WT1 H ATOM 24775 OH2 TIP3 8514 57.626 25.085 2.384 1.00 0.00 WT1 O ATOM 24776 H1 TIP3 8514 56.863 25.475 2.811 1.00 0.00 WT1 H ATOM 24777 H2 TIP3 8514 57.405 25.083 1.453 1.00 0.00 WT1 H ATOM 24778 OH2 TIP3 8515 86.574 32.266 22.222 1.00 0.00 WT1 O ATOM 24779 H1 TIP3 8515 87.211 31.595 21.976 1.00 0.00 WT1 H ATOM 24780 H2 TIP3 8515 87.079 32.902 22.729 1.00 0.00 WT1 H ATOM 24781 OH2 TIP3 8516 82.676 72.826 17.093 1.00 0.00 WT1 O ATOM 24782 H1 TIP3 8516 82.411 71.996 17.490 1.00 0.00 WT1 H ATOM 24783 H2 TIP3 8516 82.093 73.476 17.485 1.00 0.00 WT1 H ATOM 24784 OH2 TIP3 8517 51.955 15.507 58.296 1.00 0.00 WT1 O ATOM 24785 H1 TIP3 8517 51.647 16.372 58.565 1.00 0.00 WT1 H ATOM 24786 H2 TIP3 8517 51.282 15.188 57.695 1.00 0.00 WT1 H ATOM 24787 OH2 TIP3 8518 78.258 25.343 38.860 1.00 0.00 WT1 O ATOM 24788 H1 TIP3 8518 78.564 26.204 38.575 1.00 0.00 WT1 H ATOM 24789 H2 TIP3 8518 77.310 25.371 38.732 1.00 0.00 WT1 H ATOM 24790 OH2 TIP3 8519 42.117 84.991 27.313 1.00 0.00 WT1 O ATOM 24791 H1 TIP3 8519 41.262 85.413 27.395 1.00 0.00 WT1 H ATOM 24792 H2 TIP3 8519 42.658 85.631 26.851 1.00 0.00 WT1 H ATOM 24793 OH2 TIP3 8520 72.725 48.779 8.945 1.00 0.00 WT1 O ATOM 24794 H1 TIP3 8520 72.434 48.632 8.045 1.00 0.00 WT1 H ATOM 24795 H2 TIP3 8520 72.268 48.112 9.457 1.00 0.00 WT1 H ATOM 24796 OH2 TIP3 8521 64.093 85.811 28.687 1.00 0.00 WT1 O ATOM 24797 H1 TIP3 8521 64.264 86.123 27.798 1.00 0.00 WT1 H ATOM 24798 H2 TIP3 8521 63.642 84.975 28.566 1.00 0.00 WT1 H ATOM 24799 OH2 TIP3 8522 54.438 94.468 61.993 1.00 0.00 WT1 O ATOM 24800 H1 TIP3 8522 54.346 94.640 61.056 1.00 0.00 WT1 H ATOM 24801 H2 TIP3 8522 55.377 94.540 62.160 1.00 0.00 WT1 H ATOM 24802 OH2 TIP3 8523 62.530 20.850 17.667 1.00 0.00 WT1 O ATOM 24803 H1 TIP3 8523 63.162 21.207 17.043 1.00 0.00 WT1 H ATOM 24804 H2 TIP3 8523 61.727 21.346 17.505 1.00 0.00 WT1 H ATOM 24805 OH2 TIP3 8524 47.020 79.087 11.670 1.00 0.00 WT1 O ATOM 24806 H1 TIP3 8524 46.953 78.781 12.574 1.00 0.00 WT1 H ATOM 24807 H2 TIP3 8524 46.976 78.289 11.143 1.00 0.00 WT1 H ATOM 24808 OH2 TIP3 8525 49.682 93.231 19.751 1.00 0.00 WT1 O ATOM 24809 H1 TIP3 8525 49.737 92.767 20.586 1.00 0.00 WT1 H ATOM 24810 H2 TIP3 8525 49.550 94.147 19.993 1.00 0.00 WT1 H ATOM 24811 OH2 TIP3 8526 71.887 13.058 -8.230 1.00 0.00 WT1 O ATOM 24812 H1 TIP3 8526 71.588 13.583 -7.487 1.00 0.00 WT1 H ATOM 24813 H2 TIP3 8526 72.807 13.300 -8.340 1.00 0.00 WT1 H ATOM 24814 OH2 TIP3 8527 60.688 5.124 51.167 1.00 0.00 WT1 O ATOM 24815 H1 TIP3 8527 60.351 4.260 51.406 1.00 0.00 WT1 H ATOM 24816 H2 TIP3 8527 61.633 4.997 51.081 1.00 0.00 WT1 H ATOM 24817 OH2 TIP3 8528 27.949 78.254 -3.285 1.00 0.00 WT1 O ATOM 24818 H1 TIP3 8528 28.361 77.691 -3.941 1.00 0.00 WT1 H ATOM 24819 H2 TIP3 8528 28.662 78.799 -2.954 1.00 0.00 WT1 H ATOM 24820 OH2 TIP3 8529 49.166 32.064 59.961 1.00 0.00 WT1 O ATOM 24821 H1 TIP3 8529 49.418 32.959 59.733 1.00 0.00 WT1 H ATOM 24822 H2 TIP3 8529 48.283 32.148 60.322 1.00 0.00 WT1 H ATOM 24823 OH2 TIP3 8530 83.364 20.175 45.841 1.00 0.00 WT1 O ATOM 24824 H1 TIP3 8530 83.686 20.918 45.331 1.00 0.00 WT1 H ATOM 24825 H2 TIP3 8530 82.542 20.484 46.222 1.00 0.00 WT1 H ATOM 24826 OH2 TIP3 8531 56.902 29.348 11.160 1.00 0.00 WT1 O ATOM 24827 H1 TIP3 8531 56.132 29.626 11.656 1.00 0.00 WT1 H ATOM 24828 H2 TIP3 8531 56.950 29.961 10.427 1.00 0.00 WT1 H ATOM 24829 OH2 TIP3 8532 89.948 40.663 21.334 1.00 0.00 WT1 O ATOM 24830 H1 TIP3 8532 90.373 41.005 22.121 1.00 0.00 WT1 H ATOM 24831 H2 TIP3 8532 89.012 40.785 21.495 1.00 0.00 WT1 H ATOM 24832 OH2 TIP3 8533 62.895 12.114 16.646 1.00 0.00 WT1 O ATOM 24833 H1 TIP3 8533 62.850 11.181 16.438 1.00 0.00 WT1 H ATOM 24834 H2 TIP3 8533 62.702 12.553 15.818 1.00 0.00 WT1 H ATOM 24835 OH2 TIP3 8534 80.570 29.257 44.196 1.00 0.00 WT1 O ATOM 24836 H1 TIP3 8534 80.975 30.045 44.558 1.00 0.00 WT1 H ATOM 24837 H2 TIP3 8534 80.665 29.353 43.248 1.00 0.00 WT1 H ATOM 24838 OH2 TIP3 8535 21.546 6.206 42.271 1.00 0.00 WT1 O ATOM 24839 H1 TIP3 8535 22.430 6.006 41.962 1.00 0.00 WT1 H ATOM 24840 H2 TIP3 8535 21.153 6.713 41.561 1.00 0.00 WT1 H ATOM 24841 OH2 TIP3 8536 29.212 38.187 17.967 1.00 0.00 WT1 O ATOM 24842 H1 TIP3 8536 28.385 38.285 18.438 1.00 0.00 WT1 H ATOM 24843 H2 TIP3 8536 28.953 37.968 17.071 1.00 0.00 WT1 H ATOM 24844 OH2 TIP3 8538 31.725 13.680 -2.099 1.00 0.00 WT1 O ATOM 24845 H1 TIP3 8538 32.544 13.674 -2.595 1.00 0.00 WT1 H ATOM 24846 H2 TIP3 8538 31.950 14.109 -1.273 1.00 0.00 WT1 H ATOM 24847 OH2 TIP3 8539 62.363 86.953 66.697 1.00 0.00 WT1 O ATOM 24848 H1 TIP3 8539 62.643 87.577 67.367 1.00 0.00 WT1 H ATOM 24849 H2 TIP3 8539 63.150 86.790 66.177 1.00 0.00 WT1 H ATOM 24850 OH2 TIP3 8540 90.989 48.606 59.252 1.00 0.00 WT1 O ATOM 24851 H1 TIP3 8540 90.348 48.700 58.547 1.00 0.00 WT1 H ATOM 24852 H2 TIP3 8540 90.489 48.243 59.984 1.00 0.00 WT1 H ATOM 24853 OH2 TIP3 8541 59.223 29.120 -0.908 1.00 0.00 WT1 O ATOM 24854 H1 TIP3 8541 59.931 28.589 -1.272 1.00 0.00 WT1 H ATOM 24855 H2 TIP3 8541 59.563 30.015 -0.922 1.00 0.00 WT1 H ATOM 24856 OH2 TIP3 8542 40.704 54.176 -8.925 1.00 0.00 WT1 O ATOM 24857 H1 TIP3 8542 39.762 54.005 -8.940 1.00 0.00 WT1 H ATOM 24858 H2 TIP3 8542 40.988 53.880 -8.060 1.00 0.00 WT1 H ATOM 24859 OH2 TIP3 8543 23.344 10.081 -12.664 1.00 0.00 WT1 O ATOM 24860 H1 TIP3 8543 23.991 9.381 -12.758 1.00 0.00 WT1 H ATOM 24861 H2 TIP3 8543 23.338 10.278 -11.727 1.00 0.00 WT1 H ATOM 24862 OH2 TIP3 8544 24.794 23.043 34.551 1.00 0.00 WT1 O ATOM 24863 H1 TIP3 8544 25.154 22.230 34.198 1.00 0.00 WT1 H ATOM 24864 H2 TIP3 8544 25.353 23.731 34.190 1.00 0.00 WT1 H ATOM 24865 OH2 TIP3 8545 66.361 73.509 -7.533 1.00 0.00 WT1 O ATOM 24866 H1 TIP3 8545 67.293 73.326 -7.414 1.00 0.00 WT1 H ATOM 24867 H2 TIP3 8545 66.328 74.433 -7.783 1.00 0.00 WT1 H ATOM 24868 OH2 TIP3 8546 38.795 9.941 7.125 1.00 0.00 WT1 O ATOM 24869 H1 TIP3 8546 37.859 9.852 7.305 1.00 0.00 WT1 H ATOM 24870 H2 TIP3 8546 38.998 9.210 6.542 1.00 0.00 WT1 H ATOM 24871 OH2 TIP3 8547 86.059 87.871 37.490 1.00 0.00 WT1 O ATOM 24872 H1 TIP3 8547 86.464 87.960 36.627 1.00 0.00 WT1 H ATOM 24873 H2 TIP3 8547 85.528 87.077 37.424 1.00 0.00 WT1 H ATOM 24874 OH2 TIP3 8548 54.529 21.961 38.881 1.00 0.00 WT1 O ATOM 24875 H1 TIP3 8548 55.298 21.505 38.537 1.00 0.00 WT1 H ATOM 24876 H2 TIP3 8548 54.390 21.577 39.747 1.00 0.00 WT1 H ATOM 24877 OH2 TIP3 8549 32.632 42.879 26.813 1.00 0.00 WT1 O ATOM 24878 H1 TIP3 8549 32.543 43.800 26.569 1.00 0.00 WT1 H ATOM 24879 H2 TIP3 8549 33.225 42.513 26.157 1.00 0.00 WT1 H ATOM 24880 OH2 TIP3 8550 45.613 2.001 -19.518 1.00 0.00 WT1 O ATOM 24881 H1 TIP3 8550 45.675 2.902 -19.835 1.00 0.00 WT1 H ATOM 24882 H2 TIP3 8550 44.932 2.029 -18.845 1.00 0.00 WT1 H ATOM 24883 OH2 TIP3 8551 49.214 20.747 -4.944 1.00 0.00 WT1 O ATOM 24884 H1 TIP3 8551 49.035 21.675 -4.793 1.00 0.00 WT1 H ATOM 24885 H2 TIP3 8551 48.529 20.288 -4.458 1.00 0.00 WT1 H ATOM 24886 OH2 TIP3 8552 35.793 89.914 7.646 1.00 0.00 WT1 O ATOM 24887 H1 TIP3 8552 35.873 90.114 8.579 1.00 0.00 WT1 H ATOM 24888 H2 TIP3 8552 35.227 90.605 7.301 1.00 0.00 WT1 H ATOM 24889 OH2 TIP3 8553 47.750 28.272 -2.354 1.00 0.00 WT1 O ATOM 24890 H1 TIP3 8553 47.706 28.670 -3.223 1.00 0.00 WT1 H ATOM 24891 H2 TIP3 8553 47.110 28.758 -1.834 1.00 0.00 WT1 H ATOM 24892 OH2 TIP3 8554 44.141 10.102 15.089 1.00 0.00 WT1 O ATOM 24893 H1 TIP3 8554 43.867 10.376 15.964 1.00 0.00 WT1 H ATOM 24894 H2 TIP3 8554 44.756 9.385 15.243 1.00 0.00 WT1 H ATOM 24895 OH2 TIP3 8555 30.479 79.852 32.957 1.00 0.00 WT1 O ATOM 24896 H1 TIP3 8555 30.528 79.563 32.046 1.00 0.00 WT1 H ATOM 24897 H2 TIP3 8555 29.600 79.603 33.241 1.00 0.00 WT1 H ATOM 24898 OH2 TIP3 8556 29.503 12.048 -1.317 1.00 0.00 WT1 O ATOM 24899 H1 TIP3 8556 30.255 12.541 -1.648 1.00 0.00 WT1 H ATOM 24900 H2 TIP3 8556 29.885 11.259 -0.933 1.00 0.00 WT1 H ATOM 24901 OH2 TIP3 8557 28.088 19.961 60.569 1.00 0.00 WT1 O ATOM 24902 H1 TIP3 8557 28.133 19.034 60.802 1.00 0.00 WT1 H ATOM 24903 H2 TIP3 8557 27.528 20.350 61.240 1.00 0.00 WT1 H ATOM 24904 OH2 TIP3 8558 76.063 71.401 7.712 1.00 0.00 WT1 O ATOM 24905 H1 TIP3 8558 75.913 70.556 8.136 1.00 0.00 WT1 H ATOM 24906 H2 TIP3 8558 76.020 71.210 6.775 1.00 0.00 WT1 H ATOM 24907 OH2 TIP3 8559 60.183 16.511 66.690 1.00 0.00 WT1 O ATOM 24908 H1 TIP3 8559 59.345 16.570 67.148 1.00 0.00 WT1 H ATOM 24909 H2 TIP3 8559 60.683 15.864 67.187 1.00 0.00 WT1 H ATOM 24910 OH2 TIP3 8560 90.490 19.835 3.153 1.00 0.00 WT1 O ATOM 24911 H1 TIP3 8560 89.955 20.526 3.544 1.00 0.00 WT1 H ATOM 24912 H2 TIP3 8560 90.972 19.459 3.890 1.00 0.00 WT1 H ATOM 24913 OH2 TIP3 8561 38.593 62.994 43.655 1.00 0.00 WT1 O ATOM 24914 H1 TIP3 8561 38.481 63.641 42.959 1.00 0.00 WT1 H ATOM 24915 H2 TIP3 8561 39.540 62.939 43.781 1.00 0.00 WT1 H ATOM 24916 OH2 TIP3 8562 41.847 25.401 13.338 1.00 0.00 WT1 O ATOM 24917 H1 TIP3 8562 41.273 24.678 13.084 1.00 0.00 WT1 H ATOM 24918 H2 TIP3 8562 42.730 25.083 13.152 1.00 0.00 WT1 H ATOM 24919 OH2 TIP3 8563 47.284 48.728 -2.396 1.00 0.00 WT1 O ATOM 24920 H1 TIP3 8563 47.014 49.646 -2.407 1.00 0.00 WT1 H ATOM 24921 H2 TIP3 8563 47.516 48.557 -1.483 1.00 0.00 WT1 H ATOM 24922 OH2 TIP3 8565 61.443 66.296 35.148 1.00 0.00 WT1 O ATOM 24923 H1 TIP3 8565 61.003 65.446 35.160 1.00 0.00 WT1 H ATOM 24924 H2 TIP3 8565 61.510 66.519 34.220 1.00 0.00 WT1 H ATOM 24925 OH2 TIP3 8566 80.023 87.734 12.297 1.00 0.00 WT1 O ATOM 24926 H1 TIP3 8566 80.532 88.337 11.754 1.00 0.00 WT1 H ATOM 24927 H2 TIP3 8566 80.660 87.369 12.912 1.00 0.00 WT1 H ATOM 24928 OH2 TIP3 8567 66.653 5.141 19.085 1.00 0.00 WT1 O ATOM 24929 H1 TIP3 8567 65.824 5.410 18.690 1.00 0.00 WT1 H ATOM 24930 H2 TIP3 8567 66.400 4.556 19.799 1.00 0.00 WT1 H ATOM 24931 OH2 TIP3 8569 88.171 43.654 22.097 1.00 0.00 WT1 O ATOM 24932 H1 TIP3 8569 89.085 43.820 22.327 1.00 0.00 WT1 H ATOM 24933 H2 TIP3 8569 87.918 44.408 21.564 1.00 0.00 WT1 H ATOM 24934 OH2 TIP3 8571 84.768 46.437 14.783 1.00 0.00 WT1 O ATOM 24935 H1 TIP3 8571 84.324 46.865 14.051 1.00 0.00 WT1 H ATOM 24936 H2 TIP3 8571 84.518 45.516 14.710 1.00 0.00 WT1 H ATOM 24937 OH2 TIP3 8572 45.002 6.455 9.339 1.00 0.00 WT1 O ATOM 24938 H1 TIP3 8572 45.334 6.349 8.447 1.00 0.00 WT1 H ATOM 24939 H2 TIP3 8572 44.375 5.741 9.448 1.00 0.00 WT1 H ATOM 24940 OH2 TIP3 8573 43.769 4.029 47.187 1.00 0.00 WT1 O ATOM 24941 H1 TIP3 8573 44.181 4.646 46.582 1.00 0.00 WT1 H ATOM 24942 H2 TIP3 8573 43.108 3.580 46.660 1.00 0.00 WT1 H ATOM 24943 OH2 TIP3 8574 32.201 76.124 -15.100 1.00 0.00 WT1 O ATOM 24944 H1 TIP3 8574 32.651 76.927 -15.360 1.00 0.00 WT1 H ATOM 24945 H2 TIP3 8574 31.600 76.399 -14.408 1.00 0.00 WT1 H ATOM 24946 OH2 TIP3 8576 31.286 21.310 -3.063 1.00 0.00 WT1 O ATOM 24947 H1 TIP3 8576 31.383 22.203 -2.732 1.00 0.00 WT1 H ATOM 24948 H2 TIP3 8576 30.697 21.395 -3.813 1.00 0.00 WT1 H ATOM 24949 OH2 TIP3 8577 58.007 43.051 -13.089 1.00 0.00 WT1 O ATOM 24950 H1 TIP3 8577 58.430 42.712 -13.878 1.00 0.00 WT1 H ATOM 24951 H2 TIP3 8577 57.284 42.445 -12.925 1.00 0.00 WT1 H ATOM 24952 OH2 TIP3 8578 61.976 57.805 41.063 1.00 0.00 WT1 O ATOM 24953 H1 TIP3 8578 61.108 57.707 41.454 1.00 0.00 WT1 H ATOM 24954 H2 TIP3 8578 61.815 57.810 40.120 1.00 0.00 WT1 H ATOM 24955 OH2 TIP3 8579 38.971 35.224 -8.056 1.00 0.00 WT1 O ATOM 24956 H1 TIP3 8579 39.823 35.251 -7.620 1.00 0.00 WT1 H ATOM 24957 H2 TIP3 8579 38.666 36.131 -8.045 1.00 0.00 WT1 H ATOM 24958 OH2 TIP3 8580 74.135 67.749 15.655 1.00 0.00 WT1 O ATOM 24959 H1 TIP3 8580 73.280 67.317 15.670 1.00 0.00 WT1 H ATOM 24960 H2 TIP3 8580 74.656 67.270 16.300 1.00 0.00 WT1 H ATOM 24961 OH2 TIP3 8581 30.602 26.544 52.994 1.00 0.00 WT1 O ATOM 24962 H1 TIP3 8581 30.714 26.899 52.112 1.00 0.00 WT1 H ATOM 24963 H2 TIP3 8581 30.107 27.216 53.462 1.00 0.00 WT1 H ATOM 24964 OH2 TIP3 8582 34.661 9.571 44.623 1.00 0.00 WT1 O ATOM 24965 H1 TIP3 8582 34.500 10.487 44.396 1.00 0.00 WT1 H ATOM 24966 H2 TIP3 8582 34.476 9.519 45.561 1.00 0.00 WT1 H ATOM 24967 OH2 TIP3 8583 72.865 6.100 7.746 1.00 0.00 WT1 O ATOM 24968 H1 TIP3 8583 72.596 6.178 8.661 1.00 0.00 WT1 H ATOM 24969 H2 TIP3 8583 73.413 5.315 7.723 1.00 0.00 WT1 H ATOM 24970 OH2 TIP3 8584 49.628 9.172 1.574 1.00 0.00 WT1 O ATOM 24971 H1 TIP3 8584 48.752 8.804 1.460 1.00 0.00 WT1 H ATOM 24972 H2 TIP3 8584 49.548 10.078 1.277 1.00 0.00 WT1 H ATOM 24973 OH2 TIP3 8585 80.260 45.257 24.509 1.00 0.00 WT1 O ATOM 24974 H1 TIP3 8585 80.219 46.180 24.257 1.00 0.00 WT1 H ATOM 24975 H2 TIP3 8585 80.467 45.272 25.443 1.00 0.00 WT1 H ATOM 24976 OH2 TIP3 8586 79.015 31.859 2.888 1.00 0.00 WT1 O ATOM 24977 H1 TIP3 8586 79.199 31.799 3.826 1.00 0.00 WT1 H ATOM 24978 H2 TIP3 8586 79.788 32.289 2.520 1.00 0.00 WT1 H ATOM 24979 OH2 TIP3 8587 30.991 62.893 66.784 1.00 0.00 WT1 O ATOM 24980 H1 TIP3 8587 31.000 63.726 67.257 1.00 0.00 WT1 H ATOM 24981 H2 TIP3 8587 31.182 62.236 67.453 1.00 0.00 WT1 H ATOM 24982 OH2 TIP3 8588 86.578 92.071 15.851 1.00 0.00 WT1 O ATOM 24983 H1 TIP3 8588 87.205 91.658 16.445 1.00 0.00 WT1 H ATOM 24984 H2 TIP3 8588 85.729 91.715 16.114 1.00 0.00 WT1 H ATOM 24985 OH2 TIP3 8589 69.710 14.055 -10.530 1.00 0.00 WT1 O ATOM 24986 H1 TIP3 8589 69.722 13.815 -9.603 1.00 0.00 WT1 H ATOM 24987 H2 TIP3 8589 69.270 13.322 -10.962 1.00 0.00 WT1 H ATOM 24988 OH2 TIP3 8590 36.485 36.916 10.000 1.00 0.00 WT1 O ATOM 24989 H1 TIP3 8590 37.250 37.442 9.768 1.00 0.00 WT1 H ATOM 24990 H2 TIP3 8590 35.824 37.556 10.264 1.00 0.00 WT1 H ATOM 24991 OH2 TIP3 8591 90.176 66.324 5.924 1.00 0.00 WT1 O ATOM 24992 H1 TIP3 8591 89.848 65.446 6.115 1.00 0.00 WT1 H ATOM 24993 H2 TIP3 8591 90.410 66.685 6.779 1.00 0.00 WT1 H ATOM 24994 OH2 TIP3 8592 31.941 96.312 -12.692 1.00 0.00 WT1 O ATOM 24995 H1 TIP3 8592 32.533 97.037 -12.895 1.00 0.00 WT1 H ATOM 24996 H2 TIP3 8592 32.511 95.544 -12.642 1.00 0.00 WT1 H ATOM 24997 OH2 TIP3 8593 75.296 89.000 -4.972 1.00 0.00 WT1 O ATOM 24998 H1 TIP3 8593 74.619 89.669 -4.859 1.00 0.00 WT1 H ATOM 24999 H2 TIP3 8593 75.635 89.150 -5.855 1.00 0.00 WT1 H ATOM 25000 OH2 TIP3 8594 71.282 8.071 -4.811 1.00 0.00 WT1 O ATOM 25001 H1 TIP3 8594 72.178 8.298 -4.560 1.00 0.00 WT1 H ATOM 25002 H2 TIP3 8594 71.231 8.292 -5.741 1.00 0.00 WT1 H ATOM 25003 OH2 TIP3 8595 48.713 2.401 35.388 1.00 0.00 WT1 O ATOM 25004 H1 TIP3 8595 49.476 1.910 35.691 1.00 0.00 WT1 H ATOM 25005 H2 TIP3 8595 48.988 2.779 34.552 1.00 0.00 WT1 H ATOM 25006 OH2 TIP3 8596 57.232 56.155 36.413 1.00 0.00 WT1 O ATOM 25007 H1 TIP3 8596 56.513 55.643 36.784 1.00 0.00 WT1 H ATOM 25008 H2 TIP3 8596 56.847 56.595 35.655 1.00 0.00 WT1 H ATOM 25009 OH2 TIP3 8597 87.427 48.119 38.606 1.00 0.00 WT1 O ATOM 25010 H1 TIP3 8597 86.525 48.039 38.295 1.00 0.00 WT1 H ATOM 25011 H2 TIP3 8597 87.762 48.903 38.169 1.00 0.00 WT1 H ATOM 25012 OH2 TIP3 8598 70.855 18.726 48.643 1.00 0.00 WT1 O ATOM 25013 H1 TIP3 8598 69.981 19.114 48.696 1.00 0.00 WT1 H ATOM 25014 H2 TIP3 8598 71.149 18.917 47.753 1.00 0.00 WT1 H ATOM 25015 OH2 TIP3 8600 88.322 56.445 15.090 1.00 0.00 WT1 O ATOM 25016 H1 TIP3 8600 87.586 56.941 14.731 1.00 0.00 WT1 H ATOM 25017 H2 TIP3 8600 88.662 56.998 15.794 1.00 0.00 WT1 H ATOM 25018 OH2 TIP3 8601 66.110 47.745 14.683 1.00 0.00 WT1 O ATOM 25019 H1 TIP3 8601 65.248 48.103 14.897 1.00 0.00 WT1 H ATOM 25020 H2 TIP3 8601 66.276 47.096 15.367 1.00 0.00 WT1 H ATOM 25021 OH2 TIP3 8602 90.462 62.803 51.916 1.00 0.00 WT1 O ATOM 25022 H1 TIP3 8602 90.191 63.124 51.056 1.00 0.00 WT1 H ATOM 25023 H2 TIP3 8602 90.825 63.572 52.355 1.00 0.00 WT1 H ATOM 25024 OH2 TIP3 8603 38.251 15.066 31.424 1.00 0.00 WT1 O ATOM 25025 H1 TIP3 8603 38.035 14.686 30.572 1.00 0.00 WT1 H ATOM 25026 H2 TIP3 8603 38.910 14.476 31.790 1.00 0.00 WT1 H ATOM 25027 OH2 TIP3 8604 85.251 14.784 57.652 1.00 0.00 WT1 O ATOM 25028 H1 TIP3 8604 84.440 14.689 58.153 1.00 0.00 WT1 H ATOM 25029 H2 TIP3 8604 85.105 14.268 56.860 1.00 0.00 WT1 H ATOM 25030 OH2 TIP3 8605 88.177 32.432 2.654 1.00 0.00 WT1 O ATOM 25031 H1 TIP3 8605 87.400 32.123 3.120 1.00 0.00 WT1 H ATOM 25032 H2 TIP3 8605 88.847 31.774 2.843 1.00 0.00 WT1 H ATOM 25033 OH2 TIP3 8606 50.522 2.468 5.026 1.00 0.00 WT1 O ATOM 25034 H1 TIP3 8606 51.461 2.623 5.128 1.00 0.00 WT1 H ATOM 25035 H2 TIP3 8606 50.417 1.528 5.176 1.00 0.00 WT1 H ATOM 25036 OH2 TIP3 8607 54.197 41.613 56.652 1.00 0.00 WT1 O ATOM 25037 H1 TIP3 8607 53.784 42.471 56.556 1.00 0.00 WT1 H ATOM 25038 H2 TIP3 8607 54.938 41.634 56.047 1.00 0.00 WT1 H ATOM 25039 OH2 TIP3 8608 71.549 26.709 35.910 1.00 0.00 WT1 O ATOM 25040 H1 TIP3 8608 71.810 26.210 35.136 1.00 0.00 WT1 H ATOM 25041 H2 TIP3 8608 71.806 26.157 36.649 1.00 0.00 WT1 H ATOM 25042 OH2 TIP3 8609 66.091 80.599 50.791 1.00 0.00 WT1 O ATOM 25043 H1 TIP3 8609 65.681 81.128 50.107 1.00 0.00 WT1 H ATOM 25044 H2 TIP3 8609 66.566 79.917 50.316 1.00 0.00 WT1 H ATOM 25045 OH2 TIP3 8611 58.733 27.398 8.349 1.00 0.00 WT1 O ATOM 25046 H1 TIP3 8611 59.588 27.253 7.944 1.00 0.00 WT1 H ATOM 25047 H2 TIP3 8611 58.782 28.287 8.700 1.00 0.00 WT1 H ATOM 25048 OH2 TIP3 8612 30.038 29.948 37.536 1.00 0.00 WT1 O ATOM 25049 H1 TIP3 8612 30.557 30.624 37.102 1.00 0.00 WT1 H ATOM 25050 H2 TIP3 8612 29.134 30.144 37.290 1.00 0.00 WT1 H ATOM 25051 OH2 TIP3 8613 83.414 14.654 45.718 1.00 0.00 WT1 O ATOM 25052 H1 TIP3 8613 82.578 15.121 45.711 1.00 0.00 WT1 H ATOM 25053 H2 TIP3 8613 83.228 13.836 46.178 1.00 0.00 WT1 H ATOM 25054 OH2 TIP3 8614 87.385 53.662 0.777 1.00 0.00 WT1 O ATOM 25055 H1 TIP3 8614 87.987 54.235 0.302 1.00 0.00 WT1 H ATOM 25056 H2 TIP3 8614 86.742 54.258 1.163 1.00 0.00 WT1 H ATOM 25057 OH2 TIP3 8615 32.290 4.066 26.118 1.00 0.00 WT1 O ATOM 25058 H1 TIP3 8615 32.676 3.382 25.571 1.00 0.00 WT1 H ATOM 25059 H2 TIP3 8615 31.348 3.901 26.079 1.00 0.00 WT1 H ATOM 25060 OH2 TIP3 8616 26.552 15.120 2.103 1.00 0.00 WT1 O ATOM 25061 H1 TIP3 8616 26.786 15.961 1.710 1.00 0.00 WT1 H ATOM 25062 H2 TIP3 8616 27.352 14.829 2.542 1.00 0.00 WT1 H ATOM 25063 OH2 TIP3 8617 65.717 52.251 -4.301 1.00 0.00 WT1 O ATOM 25064 H1 TIP3 8617 65.493 51.936 -3.426 1.00 0.00 WT1 H ATOM 25065 H2 TIP3 8617 64.888 52.564 -4.663 1.00 0.00 WT1 H ATOM 25066 OH2 TIP3 8618 84.788 66.656 30.950 1.00 0.00 WT1 O ATOM 25067 H1 TIP3 8618 84.051 66.264 31.418 1.00 0.00 WT1 H ATOM 25068 H2 TIP3 8618 84.672 66.377 30.042 1.00 0.00 WT1 H ATOM 25069 OH2 TIP3 8619 21.401 45.880 12.629 1.00 0.00 WT1 O ATOM 25070 H1 TIP3 8619 21.684 46.169 13.497 1.00 0.00 WT1 H ATOM 25071 H2 TIP3 8619 20.573 45.425 12.786 1.00 0.00 WT1 H ATOM 25072 OH2 TIP3 8620 62.727 1.063 5.445 1.00 0.00 WT1 O ATOM 25073 H1 TIP3 8620 62.919 0.700 4.581 1.00 0.00 WT1 H ATOM 25074 H2 TIP3 8620 63.017 0.388 6.059 1.00 0.00 WT1 H ATOM 25075 OH2 TIP3 8622 28.755 14.621 -1.567 1.00 0.00 WT1 O ATOM 25076 H1 TIP3 8622 29.163 14.932 -0.759 1.00 0.00 WT1 H ATOM 25077 H2 TIP3 8622 28.994 13.695 -1.615 1.00 0.00 WT1 H ATOM 25078 OH2 TIP3 8623 32.785 65.540 27.939 1.00 0.00 WT1 O ATOM 25079 H1 TIP3 8623 33.516 66.128 27.750 1.00 0.00 WT1 H ATOM 25080 H2 TIP3 8623 33.027 65.112 28.760 1.00 0.00 WT1 H ATOM 25081 OH2 TIP3 8624 79.628 23.509 60.477 1.00 0.00 WT1 O ATOM 25082 H1 TIP3 8624 79.470 22.876 61.178 1.00 0.00 WT1 H ATOM 25083 H2 TIP3 8624 79.488 23.014 59.670 1.00 0.00 WT1 H ATOM 25084 OH2 TIP3 8625 78.760 0.059 6.822 1.00 0.00 WT1 O ATOM 25085 H1 TIP3 8625 79.424 0.244 6.159 1.00 0.00 WT1 H ATOM 25086 H2 TIP3 8625 79.054 0.537 7.597 1.00 0.00 WT1 H ATOM 25087 OH2 TIP3 8627 29.961 33.069 31.474 1.00 0.00 WT1 O ATOM 25088 H1 TIP3 8627 29.568 33.369 30.654 1.00 0.00 WT1 H ATOM 25089 H2 TIP3 8627 29.243 33.091 32.107 1.00 0.00 WT1 H ATOM 25090 OH2 TIP3 8628 82.735 51.660 44.465 1.00 0.00 WT1 O ATOM 25091 H1 TIP3 8628 82.860 51.248 45.319 1.00 0.00 WT1 H ATOM 25092 H2 TIP3 8628 82.210 52.439 44.649 1.00 0.00 WT1 H ATOM 25093 OH2 TIP3 8629 35.375 81.042 13.693 1.00 0.00 WT1 O ATOM 25094 H1 TIP3 8629 35.521 80.627 12.843 1.00 0.00 WT1 H ATOM 25095 H2 TIP3 8629 36.169 80.851 14.193 1.00 0.00 WT1 H ATOM 25096 OH2 TIP3 8630 61.310 61.849 46.500 1.00 0.00 WT1 O ATOM 25097 H1 TIP3 8630 60.971 61.918 45.607 1.00 0.00 WT1 H ATOM 25098 H2 TIP3 8630 62.146 61.392 46.404 1.00 0.00 WT1 H ATOM 25099 OH2 TIP3 8631 85.748 8.402 3.470 1.00 0.00 WT1 O ATOM 25100 H1 TIP3 8631 85.917 9.302 3.191 1.00 0.00 WT1 H ATOM 25101 H2 TIP3 8631 85.592 7.923 2.656 1.00 0.00 WT1 H ATOM 25102 OH2 TIP3 8633 60.470 6.269 47.618 1.00 0.00 WT1 O ATOM 25103 H1 TIP3 8633 60.038 6.457 46.785 1.00 0.00 WT1 H ATOM 25104 H2 TIP3 8633 60.570 5.317 47.627 1.00 0.00 WT1 H ATOM 25105 OH2 TIP3 8634 71.593 12.919 8.183 1.00 0.00 WT1 O ATOM 25106 H1 TIP3 8634 72.031 13.354 7.451 1.00 0.00 WT1 H ATOM 25107 H2 TIP3 8634 72.308 12.596 8.732 1.00 0.00 WT1 H ATOM 25108 OH2 TIP3 8635 25.469 6.933 31.487 1.00 0.00 WT1 O ATOM 25109 H1 TIP3 8635 26.392 6.904 31.237 1.00 0.00 WT1 H ATOM 25110 H2 TIP3 8635 25.007 6.543 30.744 1.00 0.00 WT1 H ATOM 25111 OH2 TIP3 8636 29.036 62.348 36.698 1.00 0.00 WT1 O ATOM 25112 H1 TIP3 8636 29.610 62.509 35.950 1.00 0.00 WT1 H ATOM 25113 H2 TIP3 8636 29.012 63.183 37.166 1.00 0.00 WT1 H ATOM 25114 OH2 TIP3 8637 88.769 5.976 61.679 1.00 0.00 WT1 O ATOM 25115 H1 TIP3 8637 89.481 5.913 62.315 1.00 0.00 WT1 H ATOM 25116 H2 TIP3 8637 88.211 6.680 62.011 1.00 0.00 WT1 H ATOM 25117 OH2 TIP3 8638 43.089 44.556 5.326 1.00 0.00 WT1 O ATOM 25118 H1 TIP3 8638 42.391 44.883 5.894 1.00 0.00 WT1 H ATOM 25119 H2 TIP3 8638 43.624 45.327 5.136 1.00 0.00 WT1 H ATOM 25120 OH2 TIP3 8639 62.046 18.439 -17.947 1.00 0.00 WT1 O ATOM 25121 H1 TIP3 8639 62.871 18.891 -17.775 1.00 0.00 WT1 H ATOM 25122 H2 TIP3 8639 61.539 18.551 -17.142 1.00 0.00 WT1 H ATOM 25123 OH2 TIP3 8640 63.212 24.881 30.954 1.00 0.00 WT1 O ATOM 25124 H1 TIP3 8640 63.627 24.035 30.786 1.00 0.00 WT1 H ATOM 25125 H2 TIP3 8640 63.943 25.483 31.095 1.00 0.00 WT1 H ATOM 25126 OH2 TIP3 8641 52.642 72.669 58.620 1.00 0.00 WT1 O ATOM 25127 H1 TIP3 8641 52.783 71.851 58.144 1.00 0.00 WT1 H ATOM 25128 H2 TIP3 8641 53.222 72.609 59.379 1.00 0.00 WT1 H ATOM 25129 OH2 TIP3 8642 89.184 21.800 49.361 1.00 0.00 WT1 O ATOM 25130 H1 TIP3 8642 88.259 21.558 49.421 1.00 0.00 WT1 H ATOM 25131 H2 TIP3 8642 89.274 22.552 49.946 1.00 0.00 WT1 H ATOM 25132 OH2 TIP3 8643 39.832 6.934 55.085 1.00 0.00 WT1 O ATOM 25133 H1 TIP3 8643 40.724 6.657 54.875 1.00 0.00 WT1 H ATOM 25134 H2 TIP3 8643 39.490 7.283 54.262 1.00 0.00 WT1 H ATOM 25135 OH2 TIP3 8644 37.584 18.588 -15.653 1.00 0.00 WT1 O ATOM 25136 H1 TIP3 8644 38.018 17.860 -15.208 1.00 0.00 WT1 H ATOM 25137 H2 TIP3 8644 37.736 19.343 -15.084 1.00 0.00 WT1 H ATOM 25138 OH2 TIP3 8645 32.656 32.053 45.560 1.00 0.00 WT1 O ATOM 25139 H1 TIP3 8645 32.884 32.430 46.410 1.00 0.00 WT1 H ATOM 25140 H2 TIP3 8645 33.364 32.329 44.977 1.00 0.00 WT1 H ATOM 25141 OH2 TIP3 8646 36.946 72.792 12.155 1.00 0.00 WT1 O ATOM 25142 H1 TIP3 8646 37.146 73.280 11.356 1.00 0.00 WT1 H ATOM 25143 H2 TIP3 8646 36.528 73.433 12.730 1.00 0.00 WT1 H ATOM 25144 OH2 TIP3 8647 73.009 37.805 14.058 1.00 0.00 WT1 O ATOM 25145 H1 TIP3 8647 72.900 36.883 14.292 1.00 0.00 WT1 H ATOM 25146 H2 TIP3 8647 72.219 38.022 13.563 1.00 0.00 WT1 H ATOM 25147 OH2 TIP3 8648 82.960 25.321 33.654 1.00 0.00 WT1 O ATOM 25148 H1 TIP3 8648 82.627 24.837 34.409 1.00 0.00 WT1 H ATOM 25149 H2 TIP3 8648 83.774 25.719 33.964 1.00 0.00 WT1 H ATOM 25150 OH2 TIP3 8649 81.977 94.937 66.016 1.00 0.00 WT1 O ATOM 25151 H1 TIP3 8649 81.561 95.099 66.863 1.00 0.00 WT1 H ATOM 25152 H2 TIP3 8649 81.469 94.221 65.633 1.00 0.00 WT1 H ATOM 25153 OH2 TIP3 8650 81.515 35.853 37.255 1.00 0.00 WT1 O ATOM 25154 H1 TIP3 8650 80.985 36.229 37.957 1.00 0.00 WT1 H ATOM 25155 H2 TIP3 8650 81.555 34.919 37.458 1.00 0.00 WT1 H ATOM 25156 OH2 TIP3 8652 41.670 21.360 43.112 1.00 0.00 WT1 O ATOM 25157 H1 TIP3 8652 41.929 20.570 42.637 1.00 0.00 WT1 H ATOM 25158 H2 TIP3 8652 42.423 21.945 43.034 1.00 0.00 WT1 H ATOM 25159 OH2 TIP3 8653 67.614 43.051 58.789 1.00 0.00 WT1 O ATOM 25160 H1 TIP3 8653 68.017 43.726 58.242 1.00 0.00 WT1 H ATOM 25161 H2 TIP3 8653 67.359 42.364 58.174 1.00 0.00 WT1 H ATOM 25162 OH2 TIP3 8654 83.309 36.110 19.674 1.00 0.00 WT1 O ATOM 25163 H1 TIP3 8654 82.529 36.580 19.380 1.00 0.00 WT1 H ATOM 25164 H2 TIP3 8654 83.705 35.775 18.869 1.00 0.00 WT1 H ATOM 25165 OH2 TIP3 8655 44.928 92.213 3.453 1.00 0.00 WT1 O ATOM 25166 H1 TIP3 8655 45.230 92.359 2.556 1.00 0.00 WT1 H ATOM 25167 H2 TIP3 8655 45.627 91.701 3.860 1.00 0.00 WT1 H ATOM 25168 OH2 TIP3 8656 25.767 51.826 57.447 1.00 0.00 WT1 O ATOM 25169 H1 TIP3 8656 25.073 51.166 57.471 1.00 0.00 WT1 H ATOM 25170 H2 TIP3 8656 25.328 52.625 57.157 1.00 0.00 WT1 H ATOM 25171 OH2 TIP3 8657 84.794 39.017 -8.534 1.00 0.00 WT1 O ATOM 25172 H1 TIP3 8657 83.912 39.309 -8.304 1.00 0.00 WT1 H ATOM 25173 H2 TIP3 8657 85.157 38.682 -7.714 1.00 0.00 WT1 H ATOM 25174 OH2 TIP3 8658 86.334 9.884 36.591 1.00 0.00 WT1 O ATOM 25175 H1 TIP3 8658 86.134 10.252 35.730 1.00 0.00 WT1 H ATOM 25176 H2 TIP3 8658 85.664 10.250 37.169 1.00 0.00 WT1 H ATOM 25177 OH2 TIP3 8659 87.167 64.443 34.739 1.00 0.00 WT1 O ATOM 25178 H1 TIP3 8659 87.836 63.950 35.215 1.00 0.00 WT1 H ATOM 25179 H2 TIP3 8659 87.502 65.339 34.713 1.00 0.00 WT1 H ATOM 25180 OH2 TIP3 8660 58.853 51.496 31.502 1.00 0.00 WT1 O ATOM 25181 H1 TIP3 8660 58.540 52.345 31.191 1.00 0.00 WT1 H ATOM 25182 H2 TIP3 8660 59.070 51.013 30.704 1.00 0.00 WT1 H ATOM 25183 OH2 TIP3 8662 81.015 73.272 41.007 1.00 0.00 WT1 O ATOM 25184 H1 TIP3 8662 80.426 73.440 40.271 1.00 0.00 WT1 H ATOM 25185 H2 TIP3 8662 81.888 73.253 40.616 1.00 0.00 WT1 H ATOM 25186 OH2 TIP3 8663 67.440 84.713 44.450 1.00 0.00 WT1 O ATOM 25187 H1 TIP3 8663 67.590 84.154 43.687 1.00 0.00 WT1 H ATOM 25188 H2 TIP3 8663 68.151 85.354 44.421 1.00 0.00 WT1 H ATOM 25189 OH2 TIP3 8665 82.713 33.286 55.223 1.00 0.00 WT1 O ATOM 25190 H1 TIP3 8665 83.314 32.803 54.656 1.00 0.00 WT1 H ATOM 25191 H2 TIP3 8665 83.279 33.707 55.870 1.00 0.00 WT1 H ATOM 25192 OH2 TIP3 8666 86.917 40.104 -2.528 1.00 0.00 WT1 O ATOM 25193 H1 TIP3 8666 86.260 40.791 -2.644 1.00 0.00 WT1 H ATOM 25194 H2 TIP3 8666 87.756 40.559 -2.606 1.00 0.00 WT1 H ATOM 25195 OH2 TIP3 8667 37.327 56.508 -3.822 1.00 0.00 WT1 O ATOM 25196 H1 TIP3 8667 37.619 57.280 -4.307 1.00 0.00 WT1 H ATOM 25197 H2 TIP3 8667 36.425 56.370 -4.110 1.00 0.00 WT1 H ATOM 25198 OH2 TIP3 8668 87.593 44.646 29.463 1.00 0.00 WT1 O ATOM 25199 H1 TIP3 8668 87.517 43.764 29.098 1.00 0.00 WT1 H ATOM 25200 H2 TIP3 8668 86.848 45.123 29.097 1.00 0.00 WT1 H ATOM 25201 OH2 TIP3 8669 25.295 18.802 32.703 1.00 0.00 WT1 O ATOM 25202 H1 TIP3 8669 25.729 17.948 32.705 1.00 0.00 WT1 H ATOM 25203 H2 TIP3 8669 24.572 18.705 33.323 1.00 0.00 WT1 H ATOM 25204 OH2 TIP3 8670 40.154 2.070 46.436 1.00 0.00 WT1 O ATOM 25205 H1 TIP3 8670 40.752 2.793 46.242 1.00 0.00 WT1 H ATOM 25206 H2 TIP3 8670 39.699 1.907 45.610 1.00 0.00 WT1 H ATOM 25207 OH2 TIP3 8671 68.474 85.773 -10.711 1.00 0.00 WT1 O ATOM 25208 H1 TIP3 8671 68.461 85.982 -11.645 1.00 0.00 WT1 H ATOM 25209 H2 TIP3 8671 68.322 86.612 -10.276 1.00 0.00 WT1 H ATOM 25210 OH2 TIP3 8672 51.418 15.205 44.328 1.00 0.00 WT1 O ATOM 25211 H1 TIP3 8672 51.961 14.423 44.229 1.00 0.00 WT1 H ATOM 25212 H2 TIP3 8672 50.997 15.314 43.475 1.00 0.00 WT1 H ATOM 25213 OH2 TIP3 8673 54.672 0.414 -5.615 1.00 0.00 WT1 O ATOM 25214 H1 TIP3 8673 54.680 1.365 -5.724 1.00 0.00 WT1 H ATOM 25215 H2 TIP3 8673 55.003 0.271 -4.729 1.00 0.00 WT1 H ATOM 25216 OH2 TIP3 8674 64.220 27.815 41.192 1.00 0.00 WT1 O ATOM 25217 H1 TIP3 8674 65.120 28.036 40.953 1.00 0.00 WT1 H ATOM 25218 H2 TIP3 8674 63.907 28.577 41.679 1.00 0.00 WT1 H ATOM 25219 OH2 TIP3 8675 31.414 71.447 39.086 1.00 0.00 WT1 O ATOM 25220 H1 TIP3 8675 31.659 71.406 38.161 1.00 0.00 WT1 H ATOM 25221 H2 TIP3 8675 31.923 70.750 39.500 1.00 0.00 WT1 H ATOM 25222 OH2 TIP3 8676 88.869 37.608 -7.904 1.00 0.00 WT1 O ATOM 25223 H1 TIP3 8676 89.810 37.784 -7.894 1.00 0.00 WT1 H ATOM 25224 H2 TIP3 8676 88.782 36.794 -8.400 1.00 0.00 WT1 H ATOM 25225 OH2 TIP3 8677 21.589 90.117 63.104 1.00 0.00 WT1 O ATOM 25226 H1 TIP3 8677 22.516 90.133 62.865 1.00 0.00 WT1 H ATOM 25227 H2 TIP3 8677 21.433 89.220 63.397 1.00 0.00 WT1 H ATOM 25228 OH2 TIP3 8678 90.029 44.363 -13.238 1.00 0.00 WT1 O ATOM 25229 H1 TIP3 8678 89.355 44.239 -13.906 1.00 0.00 WT1 H ATOM 25230 H2 TIP3 8678 90.843 44.461 -13.732 1.00 0.00 WT1 H ATOM 25231 OH2 TIP3 8679 44.704 11.398 -7.235 1.00 0.00 WT1 O ATOM 25232 H1 TIP3 8679 45.162 11.324 -6.398 1.00 0.00 WT1 H ATOM 25233 H2 TIP3 8679 45.104 12.157 -7.661 1.00 0.00 WT1 H ATOM 25234 OH2 TIP3 8680 65.235 46.041 -13.892 1.00 0.00 WT1 O ATOM 25235 H1 TIP3 8680 65.079 46.773 -14.489 1.00 0.00 WT1 H ATOM 25236 H2 TIP3 8680 64.840 45.287 -14.329 1.00 0.00 WT1 H ATOM 25237 OH2 TIP3 8681 84.111 14.742 -9.912 1.00 0.00 WT1 O ATOM 25238 H1 TIP3 8681 83.627 14.456 -10.687 1.00 0.00 WT1 H ATOM 25239 H2 TIP3 8681 84.782 14.070 -9.786 1.00 0.00 WT1 H ATOM 25240 OH2 TIP3 8682 81.073 46.845 -16.647 1.00 0.00 WT1 O ATOM 25241 H1 TIP3 8682 80.644 47.700 -16.679 1.00 0.00 WT1 H ATOM 25242 H2 TIP3 8682 80.960 46.487 -17.528 1.00 0.00 WT1 H ATOM 25243 OH2 TIP3 8683 32.761 42.183 -18.577 1.00 0.00 WT1 O ATOM 25244 H1 TIP3 8683 32.351 41.420 -18.170 1.00 0.00 WT1 H ATOM 25245 H2 TIP3 8683 32.984 42.756 -17.844 1.00 0.00 WT1 H ATOM 25246 OH2 TIP3 8684 25.244 38.491 47.397 1.00 0.00 WT1 O ATOM 25247 H1 TIP3 8684 24.320 38.595 47.624 1.00 0.00 WT1 H ATOM 25248 H2 TIP3 8684 25.292 37.636 46.970 1.00 0.00 WT1 H ATOM 25249 OH2 TIP3 8685 35.016 85.015 -4.843 1.00 0.00 WT1 O ATOM 25250 H1 TIP3 8685 35.385 84.589 -4.070 1.00 0.00 WT1 H ATOM 25251 H2 TIP3 8685 34.363 85.622 -4.494 1.00 0.00 WT1 H ATOM 25252 OH2 TIP3 8686 75.012 6.722 -6.931 1.00 0.00 WT1 O ATOM 25253 H1 TIP3 8686 74.088 6.495 -7.038 1.00 0.00 WT1 H ATOM 25254 H2 TIP3 8686 75.412 6.501 -7.772 1.00 0.00 WT1 H ATOM 25255 OH2 TIP3 8687 41.755 59.021 -4.579 1.00 0.00 WT1 O ATOM 25256 H1 TIP3 8687 42.560 59.370 -4.195 1.00 0.00 WT1 H ATOM 25257 H2 TIP3 8687 41.244 58.716 -3.829 1.00 0.00 WT1 H ATOM 25258 OH2 TIP3 8688 85.993 57.661 26.910 1.00 0.00 WT1 O ATOM 25259 H1 TIP3 8688 86.592 58.093 27.519 1.00 0.00 WT1 H ATOM 25260 H2 TIP3 8688 86.559 57.123 26.357 1.00 0.00 WT1 H ATOM 25261 OH2 TIP3 8690 76.347 60.296 40.416 1.00 0.00 WT1 O ATOM 25262 H1 TIP3 8690 76.709 60.891 41.072 1.00 0.00 WT1 H ATOM 25263 H2 TIP3 8690 75.485 60.058 40.757 1.00 0.00 WT1 H ATOM 25264 OH2 TIP3 8691 68.453 84.581 63.704 1.00 0.00 WT1 O ATOM 25265 H1 TIP3 8691 69.184 83.981 63.558 1.00 0.00 WT1 H ATOM 25266 H2 TIP3 8691 68.658 85.345 63.164 1.00 0.00 WT1 H ATOM 25267 OH2 TIP3 8692 81.125 86.992 2.419 1.00 0.00 WT1 O ATOM 25268 H1 TIP3 8692 80.726 86.802 1.570 1.00 0.00 WT1 H ATOM 25269 H2 TIP3 8692 81.021 87.938 2.527 1.00 0.00 WT1 H ATOM 25270 OH2 TIP3 8693 61.908 30.627 -5.054 1.00 0.00 WT1 O ATOM 25271 H1 TIP3 8693 61.921 29.909 -4.421 1.00 0.00 WT1 H ATOM 25272 H2 TIP3 8693 61.326 31.280 -4.665 1.00 0.00 WT1 H ATOM 25273 OH2 TIP3 8694 88.152 36.404 64.450 1.00 0.00 WT1 O ATOM 25274 H1 TIP3 8694 88.629 35.656 64.089 1.00 0.00 WT1 H ATOM 25275 H2 TIP3 8694 88.334 37.121 63.842 1.00 0.00 WT1 H ATOM 25276 OH2 TIP3 8695 66.624 93.205 18.394 1.00 0.00 WT1 O ATOM 25277 H1 TIP3 8695 66.151 93.462 17.603 1.00 0.00 WT1 H ATOM 25278 H2 TIP3 8695 65.944 92.889 18.989 1.00 0.00 WT1 H ATOM 25279 OH2 TIP3 8696 70.733 71.050 -10.148 1.00 0.00 WT1 O ATOM 25280 H1 TIP3 8696 70.336 70.333 -10.642 1.00 0.00 WT1 H ATOM 25281 H2 TIP3 8696 70.273 71.833 -10.450 1.00 0.00 WT1 H ATOM 25282 OH2 TIP3 8697 38.505 51.041 27.823 1.00 0.00 WT1 O ATOM 25283 H1 TIP3 8697 39.366 51.222 27.446 1.00 0.00 WT1 H ATOM 25284 H2 TIP3 8697 37.962 50.795 27.073 1.00 0.00 WT1 H ATOM 25285 OH2 TIP3 8698 81.409 4.716 45.220 1.00 0.00 WT1 O ATOM 25286 H1 TIP3 8698 81.434 4.945 44.291 1.00 0.00 WT1 H ATOM 25287 H2 TIP3 8698 80.650 4.139 45.305 1.00 0.00 WT1 H ATOM 25288 OH2 TIP3 8699 42.667 47.962 64.779 1.00 0.00 WT1 O ATOM 25289 H1 TIP3 8699 42.323 48.244 63.932 1.00 0.00 WT1 H ATOM 25290 H2 TIP3 8699 42.532 48.715 65.356 1.00 0.00 WT1 H ATOM 25291 OH2 TIP3 8700 25.261 48.346 65.036 1.00 0.00 WT1 O ATOM 25292 H1 TIP3 8700 25.251 47.659 65.703 1.00 0.00 WT1 H ATOM 25293 H2 TIP3 8700 25.826 49.027 65.401 1.00 0.00 WT1 H ATOM 25294 OH2 TIP3 8702 82.933 92.953 -17.127 1.00 0.00 WT1 O ATOM 25295 H1 TIP3 8702 83.303 93.445 -16.394 1.00 0.00 WT1 H ATOM 25296 H2 TIP3 8702 83.694 92.675 -17.637 1.00 0.00 WT1 H ATOM 25297 OH2 TIP3 8703 27.421 58.594 60.679 1.00 0.00 WT1 O ATOM 25298 H1 TIP3 8703 27.227 57.656 60.669 1.00 0.00 WT1 H ATOM 25299 H2 TIP3 8703 26.566 59.015 60.768 1.00 0.00 WT1 H ATOM 25300 OH2 TIP3 8704 23.885 48.994 14.569 1.00 0.00 WT1 O ATOM 25301 H1 TIP3 8704 23.413 48.251 14.946 1.00 0.00 WT1 H ATOM 25302 H2 TIP3 8704 23.940 48.793 13.634 1.00 0.00 WT1 H ATOM 25303 OH2 TIP3 8706 80.851 76.475 42.972 1.00 0.00 WT1 O ATOM 25304 H1 TIP3 8706 80.555 76.351 42.070 1.00 0.00 WT1 H ATOM 25305 H2 TIP3 8706 81.674 75.989 43.022 1.00 0.00 WT1 H ATOM 25306 OH2 TIP3 8707 85.500 71.860 2.489 1.00 0.00 WT1 O ATOM 25307 H1 TIP3 8707 85.443 72.358 1.674 1.00 0.00 WT1 H ATOM 25308 H2 TIP3 8707 86.424 71.620 2.560 1.00 0.00 WT1 H ATOM 25309 OH2 TIP3 8708 62.475 46.038 62.785 1.00 0.00 WT1 O ATOM 25310 H1 TIP3 8708 63.187 45.677 63.313 1.00 0.00 WT1 H ATOM 25311 H2 TIP3 8708 62.857 46.155 61.915 1.00 0.00 WT1 H ATOM 25312 OH2 TIP3 8709 28.491 54.606 38.021 1.00 0.00 WT1 O ATOM 25313 H1 TIP3 8709 28.215 54.365 38.905 1.00 0.00 WT1 H ATOM 25314 H2 TIP3 8709 28.428 55.561 38.001 1.00 0.00 WT1 H ATOM 25315 OH2 TIP3 8710 71.873 49.022 62.523 1.00 0.00 WT1 O ATOM 25316 H1 TIP3 8710 71.880 49.540 61.718 1.00 0.00 WT1 H ATOM 25317 H2 TIP3 8710 71.004 49.171 62.896 1.00 0.00 WT1 H ATOM 25318 OH2 TIP3 8711 21.180 32.329 19.834 1.00 0.00 WT1 O ATOM 25319 H1 TIP3 8711 20.636 32.902 20.375 1.00 0.00 WT1 H ATOM 25320 H2 TIP3 8711 20.626 32.109 19.086 1.00 0.00 WT1 H ATOM 25321 OH2 TIP3 8712 49.539 55.714 23.313 1.00 0.00 WT1 O ATOM 25322 H1 TIP3 8712 50.023 55.725 22.488 1.00 0.00 WT1 H ATOM 25323 H2 TIP3 8712 49.289 56.626 23.458 1.00 0.00 WT1 H ATOM 25324 OH2 TIP3 8713 53.382 38.210 13.199 1.00 0.00 WT1 O ATOM 25325 H1 TIP3 8713 52.996 39.007 13.563 1.00 0.00 WT1 H ATOM 25326 H2 TIP3 8713 52.689 37.554 13.271 1.00 0.00 WT1 H ATOM 25327 OH2 TIP3 8714 55.379 34.776 42.364 1.00 0.00 WT1 O ATOM 25328 H1 TIP3 8714 55.141 35.704 42.363 1.00 0.00 WT1 H ATOM 25329 H2 TIP3 8714 54.548 34.316 42.248 1.00 0.00 WT1 H ATOM 25330 OH2 TIP3 8715 54.217 35.366 8.218 1.00 0.00 WT1 O ATOM 25331 H1 TIP3 8715 54.837 34.817 8.699 1.00 0.00 WT1 H ATOM 25332 H2 TIP3 8715 53.356 35.075 8.517 1.00 0.00 WT1 H ATOM 25333 OH2 TIP3 8716 28.192 26.449 18.175 1.00 0.00 WT1 O ATOM 25334 H1 TIP3 8716 29.028 26.603 17.735 1.00 0.00 WT1 H ATOM 25335 H2 TIP3 8716 27.872 25.629 17.800 1.00 0.00 WT1 H ATOM 25336 OH2 TIP3 8717 70.950 31.093 12.596 1.00 0.00 WT1 O ATOM 25337 H1 TIP3 8717 71.157 30.896 11.682 1.00 0.00 WT1 H ATOM 25338 H2 TIP3 8717 70.391 31.868 12.554 1.00 0.00 WT1 H ATOM 25339 OH2 TIP3 8718 50.310 43.756 60.323 1.00 0.00 WT1 O ATOM 25340 H1 TIP3 8718 50.018 44.126 59.490 1.00 0.00 WT1 H ATOM 25341 H2 TIP3 8718 51.121 44.223 60.523 1.00 0.00 WT1 H ATOM 25342 OH2 TIP3 8719 35.392 71.524 31.891 1.00 0.00 WT1 O ATOM 25343 H1 TIP3 8719 36.252 71.687 32.280 1.00 0.00 WT1 H ATOM 25344 H2 TIP3 8719 35.585 71.115 31.048 1.00 0.00 WT1 H ATOM 25345 OH2 TIP3 8720 84.917 53.475 -5.411 1.00 0.00 WT1 O ATOM 25346 H1 TIP3 8720 85.282 52.602 -5.268 1.00 0.00 WT1 H ATOM 25347 H2 TIP3 8720 84.419 53.660 -4.615 1.00 0.00 WT1 H ATOM 25348 OH2 TIP3 8721 22.690 87.851 38.692 1.00 0.00 WT1 O ATOM 25349 H1 TIP3 8721 23.150 88.189 37.923 1.00 0.00 WT1 H ATOM 25350 H2 TIP3 8721 23.235 87.126 38.998 1.00 0.00 WT1 H ATOM 25351 OH2 TIP3 8722 41.927 77.318 -5.269 1.00 0.00 WT1 O ATOM 25352 H1 TIP3 8722 42.472 76.626 -4.895 1.00 0.00 WT1 H ATOM 25353 H2 TIP3 8722 42.435 77.649 -6.010 1.00 0.00 WT1 H ATOM 25354 OH2 TIP3 8723 81.605 69.312 44.579 1.00 0.00 WT1 O ATOM 25355 H1 TIP3 8723 82.386 69.269 45.131 1.00 0.00 WT1 H ATOM 25356 H2 TIP3 8723 81.774 70.041 43.982 1.00 0.00 WT1 H ATOM 25357 OH2 TIP3 8724 49.510 62.499 9.927 1.00 0.00 WT1 O ATOM 25358 H1 TIP3 8724 50.388 62.583 10.300 1.00 0.00 WT1 H ATOM 25359 H2 TIP3 8724 49.080 63.328 10.137 1.00 0.00 WT1 H ATOM 25360 OH2 TIP3 8725 53.325 70.819 6.240 1.00 0.00 WT1 O ATOM 25361 H1 TIP3 8725 53.705 70.157 6.817 1.00 0.00 WT1 H ATOM 25362 H2 TIP3 8725 52.480 70.452 5.979 1.00 0.00 WT1 H ATOM 25363 OH2 TIP3 8726 85.669 64.618 24.212 1.00 0.00 WT1 O ATOM 25364 H1 TIP3 8726 86.132 64.084 23.566 1.00 0.00 WT1 H ATOM 25365 H2 TIP3 8726 86.095 65.473 24.167 1.00 0.00 WT1 H ATOM 25366 OH2 TIP3 8727 42.211 52.689 29.247 1.00 0.00 WT1 O ATOM 25367 H1 TIP3 8727 42.588 53.091 30.029 1.00 0.00 WT1 H ATOM 25368 H2 TIP3 8727 42.907 52.742 28.591 1.00 0.00 WT1 H ATOM 25369 OH2 TIP3 8728 75.386 9.196 57.275 1.00 0.00 WT1 O ATOM 25370 H1 TIP3 8728 75.052 9.841 56.652 1.00 0.00 WT1 H ATOM 25371 H2 TIP3 8728 75.260 8.354 56.838 1.00 0.00 WT1 H ATOM 25372 OH2 TIP3 8729 25.936 87.064 22.226 1.00 0.00 WT1 O ATOM 25373 H1 TIP3 8729 26.431 87.254 23.023 1.00 0.00 WT1 H ATOM 25374 H2 TIP3 8729 26.597 87.033 21.535 1.00 0.00 WT1 H ATOM 25375 OH2 TIP3 8730 34.280 28.612 55.357 1.00 0.00 WT1 O ATOM 25376 H1 TIP3 8730 34.884 28.955 56.015 1.00 0.00 WT1 H ATOM 25377 H2 TIP3 8730 34.771 28.649 54.536 1.00 0.00 WT1 H ATOM 25378 OH2 TIP3 8731 23.376 64.340 16.175 1.00 0.00 WT1 O ATOM 25379 H1 TIP3 8731 23.228 64.841 16.977 1.00 0.00 WT1 H ATOM 25380 H2 TIP3 8731 24.269 64.008 16.261 1.00 0.00 WT1 H ATOM 25381 OH2 TIP3 8732 29.885 50.795 11.597 1.00 0.00 WT1 O ATOM 25382 H1 TIP3 8732 30.211 50.144 12.219 1.00 0.00 WT1 H ATOM 25383 H2 TIP3 8732 30.597 50.902 10.967 1.00 0.00 WT1 H ATOM 25384 OH2 TIP3 8733 73.042 50.555 13.044 1.00 0.00 WT1 O ATOM 25385 H1 TIP3 8733 72.136 50.601 12.739 1.00 0.00 WT1 H ATOM 25386 H2 TIP3 8733 73.560 50.467 12.245 1.00 0.00 WT1 H ATOM 25387 OH2 TIP3 8734 63.071 70.029 52.373 1.00 0.00 WT1 O ATOM 25388 H1 TIP3 8734 63.419 69.557 51.617 1.00 0.00 WT1 H ATOM 25389 H2 TIP3 8734 63.459 70.902 52.311 1.00 0.00 WT1 H ATOM 25390 OH2 TIP3 8735 87.735 87.206 -13.820 1.00 0.00 WT1 O ATOM 25391 H1 TIP3 8735 86.886 86.856 -13.549 1.00 0.00 WT1 H ATOM 25392 H2 TIP3 8735 87.766 87.055 -14.765 1.00 0.00 WT1 H ATOM 25393 OH2 TIP3 8736 68.524 47.695 2.781 1.00 0.00 WT1 O ATOM 25394 H1 TIP3 8736 68.720 48.355 3.445 1.00 0.00 WT1 H ATOM 25395 H2 TIP3 8736 67.765 47.225 3.126 1.00 0.00 WT1 H ATOM 25396 OH2 TIP3 8737 27.135 42.116 10.417 1.00 0.00 WT1 O ATOM 25397 H1 TIP3 8737 26.470 41.601 10.875 1.00 0.00 WT1 H ATOM 25398 H2 TIP3 8737 27.337 42.835 11.016 1.00 0.00 WT1 H ATOM 25399 OH2 TIP3 8738 80.793 50.238 64.112 1.00 0.00 WT1 O ATOM 25400 H1 TIP3 8738 80.284 49.984 63.342 1.00 0.00 WT1 H ATOM 25401 H2 TIP3 8738 80.379 49.770 64.837 1.00 0.00 WT1 H ATOM 25402 OH2 TIP3 8739 59.090 50.487 0.897 1.00 0.00 WT1 O ATOM 25403 H1 TIP3 8739 58.945 51.014 1.683 1.00 0.00 WT1 H ATOM 25404 H2 TIP3 8739 58.215 50.201 0.634 1.00 0.00 WT1 H ATOM 25405 OH2 TIP3 8740 42.574 27.105 -15.698 1.00 0.00 WT1 O ATOM 25406 H1 TIP3 8740 43.208 27.700 -15.299 1.00 0.00 WT1 H ATOM 25407 H2 TIP3 8740 42.800 26.243 -15.347 1.00 0.00 WT1 H ATOM 25408 OH2 TIP3 8741 21.656 45.816 -4.611 1.00 0.00 WT1 O ATOM 25409 H1 TIP3 8741 22.283 45.875 -3.889 1.00 0.00 WT1 H ATOM 25410 H2 TIP3 8741 20.801 45.774 -4.183 1.00 0.00 WT1 H ATOM 25411 OH2 TIP3 8742 54.981 78.891 -0.596 1.00 0.00 WT1 O ATOM 25412 H1 TIP3 8742 54.041 79.070 -0.602 1.00 0.00 WT1 H ATOM 25413 H2 TIP3 8742 55.045 77.938 -0.651 1.00 0.00 WT1 H ATOM 25414 OH2 TIP3 8743 23.058 32.529 41.685 1.00 0.00 WT1 O ATOM 25415 H1 TIP3 8743 23.202 33.148 40.969 1.00 0.00 WT1 H ATOM 25416 H2 TIP3 8743 23.385 32.982 42.462 1.00 0.00 WT1 H ATOM 25417 OH2 TIP3 8744 73.822 36.790 7.536 1.00 0.00 WT1 O ATOM 25418 H1 TIP3 8744 73.667 37.537 8.115 1.00 0.00 WT1 H ATOM 25419 H2 TIP3 8744 73.554 36.028 8.050 1.00 0.00 WT1 H ATOM 25420 OH2 TIP3 8745 81.957 81.133 37.493 1.00 0.00 WT1 O ATOM 25421 H1 TIP3 8745 81.392 80.394 37.719 1.00 0.00 WT1 H ATOM 25422 H2 TIP3 8745 81.909 81.188 36.538 1.00 0.00 WT1 H ATOM 25423 OH2 TIP3 8746 57.271 53.921 -14.802 1.00 0.00 WT1 O ATOM 25424 H1 TIP3 8746 57.011 53.788 -13.890 1.00 0.00 WT1 H ATOM 25425 H2 TIP3 8746 58.112 53.469 -14.880 1.00 0.00 WT1 H ATOM 25426 OH2 TIP3 8747 89.209 52.251 55.808 1.00 0.00 WT1 O ATOM 25427 H1 TIP3 8747 88.867 52.899 55.192 1.00 0.00 WT1 H ATOM 25428 H2 TIP3 8747 90.151 52.232 55.637 1.00 0.00 WT1 H ATOM 25429 OH2 TIP3 8748 38.041 7.211 25.990 1.00 0.00 WT1 O ATOM 25430 H1 TIP3 8748 37.881 7.694 26.801 1.00 0.00 WT1 H ATOM 25431 H2 TIP3 8748 37.418 7.579 25.364 1.00 0.00 WT1 H ATOM 25432 OH2 TIP3 8749 65.888 94.306 -19.271 1.00 0.00 WT1 O ATOM 25433 H1 TIP3 8749 66.679 93.768 -19.227 1.00 0.00 WT1 H ATOM 25434 H2 TIP3 8749 66.165 95.103 -19.723 1.00 0.00 WT1 H ATOM 25435 OH2 TIP3 8750 68.429 68.051 21.336 1.00 0.00 WT1 O ATOM 25436 H1 TIP3 8750 68.026 67.325 20.860 1.00 0.00 WT1 H ATOM 25437 H2 TIP3 8750 68.724 67.662 22.160 1.00 0.00 WT1 H ATOM 25438 OH2 TIP3 8751 34.509 71.328 52.837 1.00 0.00 WT1 O ATOM 25439 H1 TIP3 8751 33.787 71.928 52.652 1.00 0.00 WT1 H ATOM 25440 H2 TIP3 8751 34.876 71.120 51.978 1.00 0.00 WT1 H ATOM 25441 OH2 TIP3 8752 78.015 79.553 -7.971 1.00 0.00 WT1 O ATOM 25442 H1 TIP3 8752 78.091 78.813 -8.574 1.00 0.00 WT1 H ATOM 25443 H2 TIP3 8752 78.672 80.178 -8.275 1.00 0.00 WT1 H ATOM 25444 OH2 TIP3 8753 52.971 83.940 38.822 1.00 0.00 WT1 O ATOM 25445 H1 TIP3 8753 52.752 84.774 38.408 1.00 0.00 WT1 H ATOM 25446 H2 TIP3 8753 53.913 83.993 38.986 1.00 0.00 WT1 H ATOM 25447 OH2 TIP3 8754 22.136 22.562 -8.082 1.00 0.00 WT1 O ATOM 25448 H1 TIP3 8754 23.042 22.387 -7.825 1.00 0.00 WT1 H ATOM 25449 H2 TIP3 8754 21.923 23.394 -7.659 1.00 0.00 WT1 H ATOM 25450 OH2 TIP3 8755 83.538 38.871 5.799 1.00 0.00 WT1 O ATOM 25451 H1 TIP3 8755 84.402 39.123 5.474 1.00 0.00 WT1 H ATOM 25452 H2 TIP3 8755 83.603 38.962 6.750 1.00 0.00 WT1 H ATOM 25453 OH2 TIP3 8756 37.604 34.710 55.662 1.00 0.00 WT1 O ATOM 25454 H1 TIP3 8756 37.958 33.979 55.156 1.00 0.00 WT1 H ATOM 25455 H2 TIP3 8756 36.750 34.402 55.963 1.00 0.00 WT1 H ATOM 25456 OH2 TIP3 8757 51.286 30.507 30.920 1.00 0.00 WT1 O ATOM 25457 H1 TIP3 8757 52.137 30.857 31.186 1.00 0.00 WT1 H ATOM 25458 H2 TIP3 8757 50.931 31.168 30.325 1.00 0.00 WT1 H ATOM 25459 OH2 TIP3 8758 45.387 18.724 51.701 1.00 0.00 WT1 O ATOM 25460 H1 TIP3 8758 45.843 19.378 51.171 1.00 0.00 WT1 H ATOM 25461 H2 TIP3 8758 45.944 18.609 52.471 1.00 0.00 WT1 H ATOM 25462 OH2 TIP3 8759 27.096 73.303 34.382 1.00 0.00 WT1 O ATOM 25463 H1 TIP3 8759 27.350 73.543 33.491 1.00 0.00 WT1 H ATOM 25464 H2 TIP3 8759 27.382 74.041 34.920 1.00 0.00 WT1 H ATOM 25465 OH2 TIP3 8760 81.679 55.913 -4.715 1.00 0.00 WT1 O ATOM 25466 H1 TIP3 8760 81.394 55.273 -5.367 1.00 0.00 WT1 H ATOM 25467 H2 TIP3 8760 80.902 56.070 -4.178 1.00 0.00 WT1 H ATOM 25468 OH2 TIP3 8761 78.062 82.229 21.220 1.00 0.00 WT1 O ATOM 25469 H1 TIP3 8761 78.038 81.322 21.523 1.00 0.00 WT1 H ATOM 25470 H2 TIP3 8761 78.957 82.518 21.397 1.00 0.00 WT1 H ATOM 25471 OH2 TIP3 8762 33.573 83.942 16.921 1.00 0.00 WT1 O ATOM 25472 H1 TIP3 8762 33.785 83.226 16.323 1.00 0.00 WT1 H ATOM 25473 H2 TIP3 8762 34.089 83.761 17.706 1.00 0.00 WT1 H ATOM 25474 OH2 TIP3 8763 34.844 65.267 11.350 1.00 0.00 WT1 O ATOM 25475 H1 TIP3 8763 35.218 65.982 10.835 1.00 0.00 WT1 H ATOM 25476 H2 TIP3 8763 35.573 64.950 11.884 1.00 0.00 WT1 H ATOM 25477 OH2 TIP3 8764 73.893 45.434 43.890 1.00 0.00 WT1 O ATOM 25478 H1 TIP3 8764 73.792 46.267 43.430 1.00 0.00 WT1 H ATOM 25479 H2 TIP3 8764 73.999 44.787 43.192 1.00 0.00 WT1 H ATOM 25480 OH2 TIP3 8765 43.636 77.456 66.803 1.00 0.00 WT1 O ATOM 25481 H1 TIP3 8765 42.950 77.154 67.398 1.00 0.00 WT1 H ATOM 25482 H2 TIP3 8765 43.285 78.261 66.421 1.00 0.00 WT1 H ATOM 25483 OH2 TIP3 8766 59.472 22.875 45.848 1.00 0.00 WT1 O ATOM 25484 H1 TIP3 8766 59.261 22.785 44.919 1.00 0.00 WT1 H ATOM 25485 H2 TIP3 8766 58.661 23.188 46.249 1.00 0.00 WT1 H ATOM 25486 OH2 TIP3 8767 82.500 14.655 -12.089 1.00 0.00 WT1 O ATOM 25487 H1 TIP3 8767 81.792 14.134 -12.468 1.00 0.00 WT1 H ATOM 25488 H2 TIP3 8767 82.055 15.363 -11.624 1.00 0.00 WT1 H ATOM 25489 OH2 TIP3 8768 58.833 71.293 54.556 1.00 0.00 WT1 O ATOM 25490 H1 TIP3 8768 59.172 70.638 55.165 1.00 0.00 WT1 H ATOM 25491 H2 TIP3 8768 59.321 71.142 53.746 1.00 0.00 WT1 H ATOM 25492 OH2 TIP3 8769 72.865 67.378 -7.364 1.00 0.00 WT1 O ATOM 25493 H1 TIP3 8769 72.240 66.656 -7.422 1.00 0.00 WT1 H ATOM 25494 H2 TIP3 8769 72.569 67.892 -6.612 1.00 0.00 WT1 H ATOM 25495 OH2 TIP3 8770 32.799 48.852 38.333 1.00 0.00 WT1 O ATOM 25496 H1 TIP3 8770 33.665 49.256 38.379 1.00 0.00 WT1 H ATOM 25497 H2 TIP3 8770 32.962 47.973 37.990 1.00 0.00 WT1 H ATOM 25498 OH2 TIP3 8771 49.940 44.801 6.594 1.00 0.00 WT1 O ATOM 25499 H1 TIP3 8771 49.803 45.342 7.372 1.00 0.00 WT1 H ATOM 25500 H2 TIP3 8771 50.888 44.673 6.554 1.00 0.00 WT1 H ATOM 25501 OH2 TIP3 8772 44.414 83.843 48.652 1.00 0.00 WT1 O ATOM 25502 H1 TIP3 8772 45.366 83.935 48.612 1.00 0.00 WT1 H ATOM 25503 H2 TIP3 8772 44.264 83.189 49.335 1.00 0.00 WT1 H ATOM 25504 OH2 TIP3 8773 62.670 85.977 48.722 1.00 0.00 WT1 O ATOM 25505 H1 TIP3 8773 62.042 85.337 48.386 1.00 0.00 WT1 H ATOM 25506 H2 TIP3 8773 62.633 85.873 49.673 1.00 0.00 WT1 H ATOM 25507 OH2 TIP3 8774 20.634 69.954 -0.519 1.00 0.00 WT1 O ATOM 25508 H1 TIP3 8774 20.385 69.880 0.403 1.00 0.00 WT1 H ATOM 25509 H2 TIP3 8774 20.903 69.069 -0.767 1.00 0.00 WT1 H ATOM 25510 OH2 TIP3 8775 37.028 56.595 52.703 1.00 0.00 WT1 O ATOM 25511 H1 TIP3 8775 37.491 57.431 52.765 1.00 0.00 WT1 H ATOM 25512 H2 TIP3 8775 36.168 56.768 53.086 1.00 0.00 WT1 H ATOM 25513 OH2 TIP3 8776 53.854 41.601 31.235 1.00 0.00 WT1 O ATOM 25514 H1 TIP3 8776 54.417 41.166 30.595 1.00 0.00 WT1 H ATOM 25515 H2 TIP3 8776 53.123 40.996 31.363 1.00 0.00 WT1 H ATOM 25516 OH2 TIP3 8777 23.438 43.807 39.593 1.00 0.00 WT1 O ATOM 25517 H1 TIP3 8777 23.450 44.764 39.604 1.00 0.00 WT1 H ATOM 25518 H2 TIP3 8777 22.728 43.583 38.991 1.00 0.00 WT1 H ATOM 25519 OH2 TIP3 8778 31.862 91.720 15.510 1.00 0.00 WT1 O ATOM 25520 H1 TIP3 8778 31.596 91.422 16.380 1.00 0.00 WT1 H ATOM 25521 H2 TIP3 8778 32.575 92.337 15.676 1.00 0.00 WT1 H ATOM 25522 OH2 TIP3 8779 40.590 15.685 -11.669 1.00 0.00 WT1 O ATOM 25523 H1 TIP3 8779 39.874 15.458 -12.263 1.00 0.00 WT1 H ATOM 25524 H2 TIP3 8779 40.588 14.989 -11.013 1.00 0.00 WT1 H ATOM 25525 OH2 TIP3 8780 84.269 71.633 54.622 1.00 0.00 WT1 O ATOM 25526 H1 TIP3 8780 85.134 71.934 54.900 1.00 0.00 WT1 H ATOM 25527 H2 TIP3 8780 83.776 72.438 54.457 1.00 0.00 WT1 H ATOM 25528 OH2 TIP3 8781 82.098 43.904 19.653 1.00 0.00 WT1 O ATOM 25529 H1 TIP3 8781 81.931 43.544 18.782 1.00 0.00 WT1 H ATOM 25530 H2 TIP3 8781 82.486 44.763 19.488 1.00 0.00 WT1 H ATOM 25531 OH2 TIP3 8782 58.747 6.190 24.848 1.00 0.00 WT1 O ATOM 25532 H1 TIP3 8782 59.364 5.829 25.485 1.00 0.00 WT1 H ATOM 25533 H2 TIP3 8782 58.560 7.072 25.168 1.00 0.00 WT1 H ATOM 25534 OH2 TIP3 8783 76.738 47.701 28.517 1.00 0.00 WT1 O ATOM 25535 H1 TIP3 8783 75.991 47.477 27.963 1.00 0.00 WT1 H ATOM 25536 H2 TIP3 8783 77.407 47.056 28.290 1.00 0.00 WT1 H ATOM 25537 OH2 TIP3 8784 35.909 21.896 4.869 1.00 0.00 WT1 O ATOM 25538 H1 TIP3 8784 36.072 21.217 5.524 1.00 0.00 WT1 H ATOM 25539 H2 TIP3 8784 36.394 22.657 5.188 1.00 0.00 WT1 H ATOM 25540 OH2 TIP3 8785 73.732 19.061 -14.709 1.00 0.00 WT1 O ATOM 25541 H1 TIP3 8785 74.033 19.932 -14.450 1.00 0.00 WT1 H ATOM 25542 H2 TIP3 8785 74.515 18.629 -15.051 1.00 0.00 WT1 H ATOM 25543 OH2 TIP3 8786 56.040 66.599 63.039 1.00 0.00 WT1 O ATOM 25544 H1 TIP3 8786 55.587 65.886 63.490 1.00 0.00 WT1 H ATOM 25545 H2 TIP3 8786 55.720 66.556 62.138 1.00 0.00 WT1 H ATOM 25546 OH2 TIP3 8787 75.309 23.803 27.604 1.00 0.00 WT1 O ATOM 25547 H1 TIP3 8787 75.312 23.130 28.284 1.00 0.00 WT1 H ATOM 25548 H2 TIP3 8787 74.878 24.554 28.012 1.00 0.00 WT1 H ATOM 25549 OH2 TIP3 8788 71.562 14.857 39.468 1.00 0.00 WT1 O ATOM 25550 H1 TIP3 8788 71.124 14.007 39.464 1.00 0.00 WT1 H ATOM 25551 H2 TIP3 8788 72.386 14.701 39.930 1.00 0.00 WT1 H ATOM 25552 OH2 TIP3 8789 86.035 54.301 -14.658 1.00 0.00 WT1 O ATOM 25553 H1 TIP3 8789 85.873 54.467 -15.586 1.00 0.00 WT1 H ATOM 25554 H2 TIP3 8789 86.974 54.119 -14.607 1.00 0.00 WT1 H ATOM 25555 OH2 TIP3 8790 71.270 30.379 30.871 1.00 0.00 WT1 O ATOM 25556 H1 TIP3 8790 70.708 29.977 31.533 1.00 0.00 WT1 H ATOM 25557 H2 TIP3 8790 71.998 30.751 31.369 1.00 0.00 WT1 H ATOM 25558 OH2 TIP3 8791 53.059 60.758 17.519 1.00 0.00 WT1 O ATOM 25559 H1 TIP3 8791 53.717 60.064 17.546 1.00 0.00 WT1 H ATOM 25560 H2 TIP3 8791 52.231 60.298 17.382 1.00 0.00 WT1 H ATOM 25561 OH2 TIP3 8793 25.215 79.601 29.112 1.00 0.00 WT1 O ATOM 25562 H1 TIP3 8793 25.174 79.770 28.171 1.00 0.00 WT1 H ATOM 25563 H2 TIP3 8793 24.319 79.738 29.420 1.00 0.00 WT1 H ATOM 25564 OH2 TIP3 8794 65.286 53.619 62.548 1.00 0.00 WT1 O ATOM 25565 H1 TIP3 8794 64.502 53.520 62.007 1.00 0.00 WT1 H ATOM 25566 H2 TIP3 8794 65.235 54.515 62.882 1.00 0.00 WT1 H ATOM 25567 OH2 TIP3 8795 79.747 78.135 3.934 1.00 0.00 WT1 O ATOM 25568 H1 TIP3 8795 80.500 77.920 4.484 1.00 0.00 WT1 H ATOM 25569 H2 TIP3 8795 79.170 78.643 4.504 1.00 0.00 WT1 H ATOM 25570 OH2 TIP3 8797 66.843 45.299 10.698 1.00 0.00 WT1 O ATOM 25571 H1 TIP3 8797 66.175 45.958 10.511 1.00 0.00 WT1 H ATOM 25572 H2 TIP3 8797 66.558 44.894 11.517 1.00 0.00 WT1 H ATOM 25573 OH2 TIP3 8798 33.492 95.077 -7.726 1.00 0.00 WT1 O ATOM 25574 H1 TIP3 8798 34.167 95.399 -8.323 1.00 0.00 WT1 H ATOM 25575 H2 TIP3 8798 33.298 95.823 -7.158 1.00 0.00 WT1 H ATOM 25576 OH2 TIP3 8799 42.820 42.385 50.548 1.00 0.00 WT1 O ATOM 25577 H1 TIP3 8799 42.544 42.452 49.634 1.00 0.00 WT1 H ATOM 25578 H2 TIP3 8799 42.655 43.255 50.912 1.00 0.00 WT1 H ATOM 25579 OH2 TIP3 8800 86.815 17.731 48.666 1.00 0.00 WT1 O ATOM 25580 H1 TIP3 8800 85.970 17.360 48.410 1.00 0.00 WT1 H ATOM 25581 H2 TIP3 8800 87.376 17.599 47.902 1.00 0.00 WT1 H ATOM 25582 OH2 TIP3 8801 43.433 14.025 -12.594 1.00 0.00 WT1 O ATOM 25583 H1 TIP3 8801 42.896 14.818 -12.607 1.00 0.00 WT1 H ATOM 25584 H2 TIP3 8801 44.334 14.345 -12.623 1.00 0.00 WT1 H ATOM 25585 OH2 TIP3 8802 47.832 30.428 67.241 1.00 0.00 WT1 O ATOM 25586 H1 TIP3 8802 46.985 30.033 67.036 1.00 0.00 WT1 H ATOM 25587 H2 TIP3 8802 47.686 31.370 67.153 1.00 0.00 WT1 H ATOM 25588 OH2 TIP3 8803 58.580 8.682 25.638 1.00 0.00 WT1 O ATOM 25589 H1 TIP3 8803 57.941 9.394 25.630 1.00 0.00 WT1 H ATOM 25590 H2 TIP3 8803 59.326 9.023 25.144 1.00 0.00 WT1 H ATOM 25591 OH2 TIP3 8804 70.511 67.944 -5.394 1.00 0.00 WT1 O ATOM 25592 H1 TIP3 8804 69.819 67.618 -4.819 1.00 0.00 WT1 H ATOM 25593 H2 TIP3 8804 70.161 67.834 -6.278 1.00 0.00 WT1 H ATOM 25594 OH2 TIP3 8805 78.662 16.191 47.688 1.00 0.00 WT1 O ATOM 25595 H1 TIP3 8805 78.512 15.687 46.888 1.00 0.00 WT1 H ATOM 25596 H2 TIP3 8805 78.779 17.092 47.385 1.00 0.00 WT1 H ATOM 25597 OH2 TIP3 8806 90.326 58.711 10.639 1.00 0.00 WT1 O ATOM 25598 H1 TIP3 8806 90.079 58.648 11.562 1.00 0.00 WT1 H ATOM 25599 H2 TIP3 8806 91.116 58.176 10.565 1.00 0.00 WT1 H ATOM 25600 OH2 TIP3 8808 49.078 71.023 -19.080 1.00 0.00 WT1 O ATOM 25601 H1 TIP3 8808 49.792 70.818 -18.476 1.00 0.00 WT1 H ATOM 25602 H2 TIP3 8808 48.307 70.614 -18.686 1.00 0.00 WT1 H ATOM 25603 OH2 TIP3 8809 75.662 56.033 -6.539 1.00 0.00 WT1 O ATOM 25604 H1 TIP3 8809 75.829 56.628 -7.270 1.00 0.00 WT1 H ATOM 25605 H2 TIP3 8809 76.533 55.757 -6.251 1.00 0.00 WT1 H ATOM 25606 OH2 TIP3 8810 77.503 63.216 6.953 1.00 0.00 WT1 O ATOM 25607 H1 TIP3 8810 77.624 62.814 6.093 1.00 0.00 WT1 H ATOM 25608 H2 TIP3 8810 76.644 63.637 6.903 1.00 0.00 WT1 H ATOM 25609 OH2 TIP3 8811 35.315 81.831 18.813 1.00 0.00 WT1 O ATOM 25610 H1 TIP3 8811 34.589 81.310 18.467 1.00 0.00 WT1 H ATOM 25611 H2 TIP3 8811 34.911 82.399 19.469 1.00 0.00 WT1 H ATOM 25612 OH2 TIP3 8812 86.900 62.449 29.113 1.00 0.00 WT1 O ATOM 25613 H1 TIP3 8812 86.853 63.275 28.633 1.00 0.00 WT1 H ATOM 25614 H2 TIP3 8812 86.378 61.838 28.593 1.00 0.00 WT1 H ATOM 25615 OH2 TIP3 8813 26.799 14.687 46.487 1.00 0.00 WT1 O ATOM 25616 H1 TIP3 8813 26.495 14.724 47.394 1.00 0.00 WT1 H ATOM 25617 H2 TIP3 8813 27.346 15.466 46.385 1.00 0.00 WT1 H ATOM 25618 OH2 TIP3 8815 23.184 65.515 30.922 1.00 0.00 WT1 O ATOM 25619 H1 TIP3 8815 23.730 65.356 30.151 1.00 0.00 WT1 H ATOM 25620 H2 TIP3 8815 23.002 66.455 30.897 1.00 0.00 WT1 H ATOM 25621 OH2 TIP3 8816 29.794 68.937 28.623 1.00 0.00 WT1 O ATOM 25622 H1 TIP3 8816 30.578 68.516 28.270 1.00 0.00 WT1 H ATOM 25623 H2 TIP3 8816 29.457 68.315 29.267 1.00 0.00 WT1 H ATOM 25624 OH2 TIP3 8817 77.476 67.194 7.954 1.00 0.00 WT1 O ATOM 25625 H1 TIP3 8817 77.788 66.853 7.116 1.00 0.00 WT1 H ATOM 25626 H2 TIP3 8817 78.085 66.836 8.600 1.00 0.00 WT1 H ATOM 25627 OH2 TIP3 8818 69.714 88.121 2.990 1.00 0.00 WT1 O ATOM 25628 H1 TIP3 8818 69.841 87.613 3.791 1.00 0.00 WT1 H ATOM 25629 H2 TIP3 8818 69.879 89.027 3.252 1.00 0.00 WT1 H ATOM 25630 OH2 TIP3 8819 27.938 89.811 1.482 1.00 0.00 WT1 O ATOM 25631 H1 TIP3 8819 28.421 90.624 1.630 1.00 0.00 WT1 H ATOM 25632 H2 TIP3 8819 27.197 89.858 2.086 1.00 0.00 WT1 H ATOM 25633 OH2 TIP3 8820 62.487 24.928 21.808 1.00 0.00 WT1 O ATOM 25634 H1 TIP3 8820 62.140 25.201 22.658 1.00 0.00 WT1 H ATOM 25635 H2 TIP3 8820 61.801 24.372 21.437 1.00 0.00 WT1 H ATOM 25636 OH2 TIP3 8821 23.434 71.683 19.748 1.00 0.00 WT1 O ATOM 25637 H1 TIP3 8821 24.086 72.347 19.523 1.00 0.00 WT1 H ATOM 25638 H2 TIP3 8821 22.624 72.176 19.878 1.00 0.00 WT1 H ATOM 25639 OH2 TIP3 8822 36.009 38.085 36.155 1.00 0.00 WT1 O ATOM 25640 H1 TIP3 8822 35.448 38.704 35.686 1.00 0.00 WT1 H ATOM 25641 H2 TIP3 8822 36.841 38.109 35.682 1.00 0.00 WT1 H ATOM 25642 OH2 TIP3 8823 79.041 17.625 7.745 1.00 0.00 WT1 O ATOM 25643 H1 TIP3 8823 78.290 17.388 8.289 1.00 0.00 WT1 H ATOM 25644 H2 TIP3 8823 78.738 18.372 7.229 1.00 0.00 WT1 H ATOM 25645 OH2 TIP3 8824 30.965 30.015 21.126 1.00 0.00 WT1 O ATOM 25646 H1 TIP3 8824 30.577 30.868 20.931 1.00 0.00 WT1 H ATOM 25647 H2 TIP3 8824 31.487 30.163 21.914 1.00 0.00 WT1 H ATOM 25648 OH2 TIP3 8825 75.265 77.380 1.381 1.00 0.00 WT1 O ATOM 25649 H1 TIP3 8825 74.529 77.718 0.870 1.00 0.00 WT1 H ATOM 25650 H2 TIP3 8825 75.156 76.429 1.358 1.00 0.00 WT1 H ATOM 25651 OH2 TIP3 8827 69.524 73.874 16.432 1.00 0.00 WT1 O ATOM 25652 H1 TIP3 8827 69.309 74.788 16.247 1.00 0.00 WT1 H ATOM 25653 H2 TIP3 8827 68.680 73.462 16.616 1.00 0.00 WT1 H ATOM 25654 OH2 TIP3 8828 34.762 41.382 17.321 1.00 0.00 WT1 O ATOM 25655 H1 TIP3 8828 35.672 41.367 17.618 1.00 0.00 WT1 H ATOM 25656 H2 TIP3 8828 34.408 40.535 17.591 1.00 0.00 WT1 H ATOM 25657 OH2 TIP3 8829 70.461 17.687 10.810 1.00 0.00 WT1 O ATOM 25658 H1 TIP3 8829 70.426 17.643 11.766 1.00 0.00 WT1 H ATOM 25659 H2 TIP3 8829 69.586 17.421 10.526 1.00 0.00 WT1 H ATOM 25660 OH2 TIP3 8830 52.433 66.869 8.340 1.00 0.00 WT1 O ATOM 25661 H1 TIP3 8830 52.420 65.921 8.211 1.00 0.00 WT1 H ATOM 25662 H2 TIP3 8830 52.532 66.981 9.285 1.00 0.00 WT1 H ATOM 25663 OH2 TIP3 8832 57.804 68.167 20.432 1.00 0.00 WT1 O ATOM 25664 H1 TIP3 8832 57.172 67.475 20.235 1.00 0.00 WT1 H ATOM 25665 H2 TIP3 8832 58.627 67.703 20.586 1.00 0.00 WT1 H ATOM 25666 OH2 TIP3 8833 35.335 63.607 -12.648 1.00 0.00 WT1 O ATOM 25667 H1 TIP3 8833 34.832 63.070 -13.261 1.00 0.00 WT1 H ATOM 25668 H2 TIP3 8833 35.424 63.060 -11.867 1.00 0.00 WT1 H ATOM 25669 OH2 TIP3 8834 76.216 32.052 2.584 1.00 0.00 WT1 O ATOM 25670 H1 TIP3 8834 75.954 31.165 2.831 1.00 0.00 WT1 H ATOM 25671 H2 TIP3 8834 77.170 32.052 2.666 1.00 0.00 WT1 H ATOM 25672 OH2 TIP3 8835 64.580 61.224 24.277 1.00 0.00 WT1 O ATOM 25673 H1 TIP3 8835 64.794 61.230 23.344 1.00 0.00 WT1 H ATOM 25674 H2 TIP3 8835 63.780 60.702 24.336 1.00 0.00 WT1 H ATOM 25675 OH2 TIP3 8836 40.572 38.846 38.565 1.00 0.00 WT1 O ATOM 25676 H1 TIP3 8836 40.520 39.049 39.499 1.00 0.00 WT1 H ATOM 25677 H2 TIP3 8836 41.286 39.394 38.240 1.00 0.00 WT1 H ATOM 25678 OH2 TIP3 8837 33.210 86.474 7.182 1.00 0.00 WT1 O ATOM 25679 H1 TIP3 8837 32.419 86.519 7.718 1.00 0.00 WT1 H ATOM 25680 H2 TIP3 8837 33.574 85.607 7.365 1.00 0.00 WT1 H ATOM 25681 OH2 TIP3 8839 86.763 19.316 43.429 1.00 0.00 WT1 O ATOM 25682 H1 TIP3 8839 86.646 18.392 43.209 1.00 0.00 WT1 H ATOM 25683 H2 TIP3 8839 86.086 19.770 42.928 1.00 0.00 WT1 H ATOM 25684 OH2 TIP3 8840 48.211 6.125 53.111 1.00 0.00 WT1 O ATOM 25685 H1 TIP3 8840 47.941 5.833 53.981 1.00 0.00 WT1 H ATOM 25686 H2 TIP3 8840 49.067 5.717 52.976 1.00 0.00 WT1 H ATOM 25687 OH2 TIP3 8841 65.498 64.790 47.729 1.00 0.00 WT1 O ATOM 25688 H1 TIP3 8841 65.543 65.261 46.897 1.00 0.00 WT1 H ATOM 25689 H2 TIP3 8841 64.563 64.641 47.870 1.00 0.00 WT1 H ATOM 25690 OH2 TIP3 8842 78.025 7.713 33.968 1.00 0.00 WT1 O ATOM 25691 H1 TIP3 8842 77.410 8.440 33.874 1.00 0.00 WT1 H ATOM 25692 H2 TIP3 8842 77.820 7.129 33.239 1.00 0.00 WT1 H ATOM 25693 OH2 TIP3 8843 67.948 57.133 -4.100 1.00 0.00 WT1 O ATOM 25694 H1 TIP3 8843 68.849 56.815 -4.154 1.00 0.00 WT1 H ATOM 25695 H2 TIP3 8843 67.926 57.660 -3.302 1.00 0.00 WT1 H ATOM 25696 OH2 TIP3 8844 62.633 7.521 -0.148 1.00 0.00 WT1 O ATOM 25697 H1 TIP3 8844 61.681 7.427 -0.114 1.00 0.00 WT1 H ATOM 25698 H2 TIP3 8844 62.779 8.293 -0.694 1.00 0.00 WT1 H ATOM 25699 OH2 TIP3 8845 80.166 3.544 34.655 1.00 0.00 WT1 O ATOM 25700 H1 TIP3 8845 80.127 3.379 35.597 1.00 0.00 WT1 H ATOM 25701 H2 TIP3 8845 79.557 2.911 34.275 1.00 0.00 WT1 H ATOM 25702 OH2 TIP3 8846 62.384 16.385 21.536 1.00 0.00 WT1 O ATOM 25703 H1 TIP3 8846 62.813 16.766 20.770 1.00 0.00 WT1 H ATOM 25704 H2 TIP3 8846 61.780 15.736 21.175 1.00 0.00 WT1 H ATOM 25705 OH2 TIP3 8847 74.051 41.435 13.319 1.00 0.00 WT1 O ATOM 25706 H1 TIP3 8847 74.539 42.169 12.946 1.00 0.00 WT1 H ATOM 25707 H2 TIP3 8847 73.281 41.837 13.720 1.00 0.00 WT1 H ATOM 25708 OH2 TIP3 8848 25.088 90.164 -18.701 1.00 0.00 WT1 O ATOM 25709 H1 TIP3 8848 24.666 90.208 -17.843 1.00 0.00 WT1 H ATOM 25710 H2 TIP3 8848 24.606 89.483 -19.171 1.00 0.00 WT1 H ATOM 25711 OH2 TIP3 8849 85.421 78.213 -5.024 1.00 0.00 WT1 O ATOM 25712 H1 TIP3 8849 84.699 77.586 -5.064 1.00 0.00 WT1 H ATOM 25713 H2 TIP3 8849 85.392 78.556 -4.131 1.00 0.00 WT1 H ATOM 25714 OH2 TIP3 8850 39.199 82.845 61.686 1.00 0.00 WT1 O ATOM 25715 H1 TIP3 8850 38.754 82.777 62.531 1.00 0.00 WT1 H ATOM 25716 H2 TIP3 8850 38.504 83.067 61.066 1.00 0.00 WT1 H ATOM 25717 OH2 TIP3 8851 23.223 54.240 4.825 1.00 0.00 WT1 O ATOM 25718 H1 TIP3 8851 23.559 54.946 5.377 1.00 0.00 WT1 H ATOM 25719 H2 TIP3 8851 22.277 54.383 4.803 1.00 0.00 WT1 H ATOM 25720 OH2 TIP3 8852 63.079 52.615 4.583 1.00 0.00 WT1 O ATOM 25721 H1 TIP3 8852 62.553 53.337 4.928 1.00 0.00 WT1 H ATOM 25722 H2 TIP3 8852 63.134 51.991 5.307 1.00 0.00 WT1 H ATOM 25723 OH2 TIP3 8853 73.561 92.372 5.898 1.00 0.00 WT1 O ATOM 25724 H1 TIP3 8853 74.003 92.994 6.476 1.00 0.00 WT1 H ATOM 25725 H2 TIP3 8853 74.198 91.670 5.767 1.00 0.00 WT1 H ATOM 25726 OH2 TIP3 8854 85.266 4.209 36.995 1.00 0.00 WT1 O ATOM 25727 H1 TIP3 8854 85.784 3.687 37.609 1.00 0.00 WT1 H ATOM 25728 H2 TIP3 8854 85.393 3.780 36.149 1.00 0.00 WT1 H ATOM 25729 OH2 TIP3 8855 66.771 30.494 -9.727 1.00 0.00 WT1 O ATOM 25730 H1 TIP3 8855 66.688 30.930 -8.879 1.00 0.00 WT1 H ATOM 25731 H2 TIP3 8855 66.359 31.095 -10.347 1.00 0.00 WT1 H ATOM 25732 OH2 TIP3 8856 57.555 32.521 14.083 1.00 0.00 WT1 O ATOM 25733 H1 TIP3 8856 57.225 32.476 13.186 1.00 0.00 WT1 H ATOM 25734 H2 TIP3 8856 57.272 33.379 14.400 1.00 0.00 WT1 H ATOM 25735 OH2 TIP3 8857 30.131 9.595 45.251 1.00 0.00 WT1 O ATOM 25736 H1 TIP3 8857 29.429 9.711 45.891 1.00 0.00 WT1 H ATOM 25737 H2 TIP3 8857 30.906 9.399 45.778 1.00 0.00 WT1 H ATOM 25738 OH2 TIP3 8858 88.867 62.483 65.361 1.00 0.00 WT1 O ATOM 25739 H1 TIP3 8858 88.256 62.604 64.634 1.00 0.00 WT1 H ATOM 25740 H2 TIP3 8858 88.322 62.172 66.084 1.00 0.00 WT1 H ATOM 25741 OH2 TIP3 8859 78.880 94.397 29.165 1.00 0.00 WT1 O ATOM 25742 H1 TIP3 8859 78.650 94.536 30.083 1.00 0.00 WT1 H ATOM 25743 H2 TIP3 8859 78.126 94.728 28.676 1.00 0.00 WT1 H ATOM 25744 OH2 TIP3 8860 65.566 34.617 -9.398 1.00 0.00 WT1 O ATOM 25745 H1 TIP3 8860 66.341 34.336 -8.912 1.00 0.00 WT1 H ATOM 25746 H2 TIP3 8860 65.916 35.075 -10.163 1.00 0.00 WT1 H ATOM 25747 OH2 TIP3 8861 66.783 50.089 51.467 1.00 0.00 WT1 O ATOM 25748 H1 TIP3 8861 67.163 50.776 52.014 1.00 0.00 WT1 H ATOM 25749 H2 TIP3 8861 67.442 49.928 50.792 1.00 0.00 WT1 H ATOM 25750 OH2 TIP3 8863 48.492 75.521 -9.390 1.00 0.00 WT1 O ATOM 25751 H1 TIP3 8863 47.971 75.134 -8.687 1.00 0.00 WT1 H ATOM 25752 H2 TIP3 8863 47.867 75.669 -10.099 1.00 0.00 WT1 H ATOM 25753 OH2 TIP3 8864 51.322 38.313 36.873 1.00 0.00 WT1 O ATOM 25754 H1 TIP3 8864 52.265 38.419 37.000 1.00 0.00 WT1 H ATOM 25755 H2 TIP3 8864 50.965 39.194 36.985 1.00 0.00 WT1 H ATOM 25756 OH2 TIP3 8865 68.733 43.173 -0.468 1.00 0.00 WT1 O ATOM 25757 H1 TIP3 8865 69.191 43.300 0.363 1.00 0.00 WT1 H ATOM 25758 H2 TIP3 8865 68.245 42.358 -0.351 1.00 0.00 WT1 H ATOM 25759 OH2 TIP3 8866 66.350 95.956 27.798 1.00 0.00 WT1 O ATOM 25760 H1 TIP3 8866 65.999 95.130 28.130 1.00 0.00 WT1 H ATOM 25761 H2 TIP3 8866 65.577 96.464 27.552 1.00 0.00 WT1 H ATOM 25762 OH2 TIP3 8867 32.865 60.145 16.914 1.00 0.00 WT1 O ATOM 25763 H1 TIP3 8867 32.894 59.267 17.293 1.00 0.00 WT1 H ATOM 25764 H2 TIP3 8867 33.704 60.240 16.463 1.00 0.00 WT1 H ATOM 25765 OH2 TIP3 8868 82.655 66.232 42.207 1.00 0.00 WT1 O ATOM 25766 H1 TIP3 8868 81.733 66.246 41.950 1.00 0.00 WT1 H ATOM 25767 H2 TIP3 8868 83.109 65.853 41.454 1.00 0.00 WT1 H ATOM 25768 OH2 TIP3 8869 50.816 37.309 -8.978 1.00 0.00 WT1 O ATOM 25769 H1 TIP3 8869 49.935 37.458 -8.633 1.00 0.00 WT1 H ATOM 25770 H2 TIP3 8869 51.016 36.403 -8.740 1.00 0.00 WT1 H ATOM 25771 OH2 TIP3 8870 63.130 6.186 -8.253 1.00 0.00 WT1 O ATOM 25772 H1 TIP3 8870 62.614 5.485 -7.856 1.00 0.00 WT1 H ATOM 25773 H2 TIP3 8870 63.829 5.733 -8.725 1.00 0.00 WT1 H ATOM 25774 OH2 TIP3 8871 72.424 54.153 9.515 1.00 0.00 WT1 O ATOM 25775 H1 TIP3 8871 72.346 54.024 10.461 1.00 0.00 WT1 H ATOM 25776 H2 TIP3 8871 72.548 55.097 9.411 1.00 0.00 WT1 H ATOM 25777 OH2 TIP3 8872 20.811 66.823 9.262 1.00 0.00 WT1 O ATOM 25778 H1 TIP3 8872 20.008 67.109 8.827 1.00 0.00 WT1 H ATOM 25779 H2 TIP3 8872 21.454 67.499 9.049 1.00 0.00 WT1 H ATOM 25780 OH2 TIP3 8873 66.246 96.057 -10.781 1.00 0.00 WT1 O ATOM 25781 H1 TIP3 8873 66.850 96.750 -10.516 1.00 0.00 WT1 H ATOM 25782 H2 TIP3 8873 65.377 96.407 -10.584 1.00 0.00 WT1 H ATOM 25783 OH2 TIP3 8874 63.049 -0.006 19.680 1.00 0.00 WT1 O ATOM 25784 H1 TIP3 8874 62.107 0.025 19.513 1.00 0.00 WT1 H ATOM 25785 H2 TIP3 8874 63.206 0.702 20.304 1.00 0.00 WT1 H ATOM 25786 OH2 TIP3 8875 29.924 62.261 1.770 1.00 0.00 WT1 O ATOM 25787 H1 TIP3 8875 30.608 62.731 2.247 1.00 0.00 WT1 H ATOM 25788 H2 TIP3 8875 29.281 62.029 2.440 1.00 0.00 WT1 H ATOM 25789 OH2 TIP3 8876 49.941 58.072 46.403 1.00 0.00 WT1 O ATOM 25790 H1 TIP3 8876 50.197 58.623 47.143 1.00 0.00 WT1 H ATOM 25791 H2 TIP3 8876 50.480 58.382 45.676 1.00 0.00 WT1 H ATOM 25792 OH2 TIP3 8877 89.710 49.944 20.618 1.00 0.00 WT1 O ATOM 25793 H1 TIP3 8877 90.546 49.873 21.079 1.00 0.00 WT1 H ATOM 25794 H2 TIP3 8877 89.915 50.434 19.822 1.00 0.00 WT1 H ATOM 25795 OH2 TIP3 8878 23.078 32.869 -2.040 1.00 0.00 WT1 O ATOM 25796 H1 TIP3 8878 22.952 32.645 -1.117 1.00 0.00 WT1 H ATOM 25797 H2 TIP3 8878 22.884 33.805 -2.088 1.00 0.00 WT1 H ATOM 25798 OH2 TIP3 8879 50.009 18.408 24.791 1.00 0.00 WT1 O ATOM 25799 H1 TIP3 8879 50.168 19.118 25.413 1.00 0.00 WT1 H ATOM 25800 H2 TIP3 8879 49.233 18.684 24.305 1.00 0.00 WT1 H ATOM 25801 OH2 TIP3 8880 21.120 61.316 41.856 1.00 0.00 WT1 O ATOM 25802 H1 TIP3 8880 21.504 61.789 41.117 1.00 0.00 WT1 H ATOM 25803 H2 TIP3 8880 20.771 60.512 41.472 1.00 0.00 WT1 H ATOM 25804 OH2 TIP3 8881 65.013 55.990 16.511 1.00 0.00 WT1 O ATOM 25805 H1 TIP3 8881 65.522 55.881 15.708 1.00 0.00 WT1 H ATOM 25806 H2 TIP3 8881 64.239 55.441 16.380 1.00 0.00 WT1 H ATOM 25807 OH2 TIP3 8882 79.875 36.994 39.040 1.00 0.00 WT1 O ATOM 25808 H1 TIP3 8882 80.706 37.004 39.514 1.00 0.00 WT1 H ATOM 25809 H2 TIP3 8882 79.260 36.575 39.642 1.00 0.00 WT1 H ATOM 25810 OH2 TIP3 8883 29.923 70.862 5.123 1.00 0.00 WT1 O ATOM 25811 H1 TIP3 8883 30.430 70.060 5.245 1.00 0.00 WT1 H ATOM 25812 H2 TIP3 8883 30.570 71.565 5.167 1.00 0.00 WT1 H ATOM 25813 OH2 TIP3 8884 48.686 93.859 0.613 1.00 0.00 WT1 O ATOM 25814 H1 TIP3 8884 49.357 94.123 1.241 1.00 0.00 WT1 H ATOM 25815 H2 TIP3 8884 48.384 94.680 0.225 1.00 0.00 WT1 H ATOM 25816 OH2 TIP3 8885 76.895 18.783 0.590 1.00 0.00 WT1 O ATOM 25817 H1 TIP3 8885 75.956 18.619 0.498 1.00 0.00 WT1 H ATOM 25818 H2 TIP3 8885 77.295 18.305 -0.136 1.00 0.00 WT1 H ATOM 25819 OH2 TIP3 8886 89.185 15.839 44.099 1.00 0.00 WT1 O ATOM 25820 H1 TIP3 8886 88.847 15.082 44.578 1.00 0.00 WT1 H ATOM 25821 H2 TIP3 8886 90.136 15.732 44.121 1.00 0.00 WT1 H ATOM 25822 OH2 TIP3 8887 21.459 36.471 -13.436 1.00 0.00 WT1 O ATOM 25823 H1 TIP3 8887 22.059 37.211 -13.532 1.00 0.00 WT1 H ATOM 25824 H2 TIP3 8887 20.861 36.735 -12.738 1.00 0.00 WT1 H ATOM 25825 OH2 TIP3 8888 29.374 28.047 39.314 1.00 0.00 WT1 O ATOM 25826 H1 TIP3 8888 29.639 28.683 38.649 1.00 0.00 WT1 H ATOM 25827 H2 TIP3 8888 28.440 27.911 39.155 1.00 0.00 WT1 H ATOM 25828 OH2 TIP3 8889 56.961 95.299 60.698 1.00 0.00 WT1 O ATOM 25829 H1 TIP3 8889 57.229 95.759 59.903 1.00 0.00 WT1 H ATOM 25830 H2 TIP3 8889 57.277 94.403 60.575 1.00 0.00 WT1 H ATOM 25831 OH2 TIP3 8890 58.882 61.836 -15.497 1.00 0.00 WT1 O ATOM 25832 H1 TIP3 8890 58.519 62.571 -15.003 1.00 0.00 WT1 H ATOM 25833 H2 TIP3 8890 58.457 61.063 -15.126 1.00 0.00 WT1 H ATOM 25834 OH2 TIP3 8891 33.891 50.022 45.082 1.00 0.00 WT1 O ATOM 25835 H1 TIP3 8891 34.547 50.718 45.037 1.00 0.00 WT1 H ATOM 25836 H2 TIP3 8891 34.167 49.479 45.820 1.00 0.00 WT1 H ATOM 25837 OH2 TIP3 8893 68.118 22.082 36.422 1.00 0.00 WT1 O ATOM 25838 H1 TIP3 8893 67.535 21.330 36.318 1.00 0.00 WT1 H ATOM 25839 H2 TIP3 8893 68.267 22.395 35.529 1.00 0.00 WT1 H ATOM 25840 OH2 TIP3 8894 80.175 87.615 31.934 1.00 0.00 WT1 O ATOM 25841 H1 TIP3 8894 79.309 87.997 31.795 1.00 0.00 WT1 H ATOM 25842 H2 TIP3 8894 80.766 88.367 31.970 1.00 0.00 WT1 H ATOM 25843 OH2 TIP3 8895 71.532 44.812 27.615 1.00 0.00 WT1 O ATOM 25844 H1 TIP3 8895 71.322 43.888 27.481 1.00 0.00 WT1 H ATOM 25845 H2 TIP3 8895 72.239 44.989 26.994 1.00 0.00 WT1 H ATOM 25846 OH2 TIP3 8896 28.477 20.977 23.443 1.00 0.00 WT1 O ATOM 25847 H1 TIP3 8896 28.942 20.142 23.495 1.00 0.00 WT1 H ATOM 25848 H2 TIP3 8896 28.076 20.974 22.574 1.00 0.00 WT1 H ATOM 25849 OH2 TIP3 8897 40.431 40.457 -18.394 1.00 0.00 WT1 O ATOM 25850 H1 TIP3 8897 40.126 41.278 -18.779 1.00 0.00 WT1 H ATOM 25851 H2 TIP3 8897 39.641 40.052 -18.036 1.00 0.00 WT1 H ATOM 25852 OH2 TIP3 8898 27.730 25.470 21.518 1.00 0.00 WT1 O ATOM 25853 H1 TIP3 8898 27.808 25.383 22.468 1.00 0.00 WT1 H ATOM 25854 H2 TIP3 8898 27.282 26.306 21.390 1.00 0.00 WT1 H ATOM 25855 OH2 TIP3 8899 42.467 8.937 7.061 1.00 0.00 WT1 O ATOM 25856 H1 TIP3 8899 41.592 8.854 7.441 1.00 0.00 WT1 H ATOM 25857 H2 TIP3 8899 42.386 9.647 6.424 1.00 0.00 WT1 H ATOM 25858 OH2 TIP3 8900 43.924 47.693 50.877 1.00 0.00 WT1 O ATOM 25859 H1 TIP3 8900 44.864 47.871 50.906 1.00 0.00 WT1 H ATOM 25860 H2 TIP3 8900 43.751 47.472 49.962 1.00 0.00 WT1 H ATOM 25861 OH2 TIP3 8901 42.079 40.181 14.333 1.00 0.00 WT1 O ATOM 25862 H1 TIP3 8901 41.478 40.903 14.520 1.00 0.00 WT1 H ATOM 25863 H2 TIP3 8901 42.225 39.764 15.182 1.00 0.00 WT1 H ATOM 25864 OH2 TIP3 8902 27.272 4.555 26.761 1.00 0.00 WT1 O ATOM 25865 H1 TIP3 8902 27.236 3.599 26.740 1.00 0.00 WT1 H ATOM 25866 H2 TIP3 8902 27.457 4.808 25.856 1.00 0.00 WT1 H ATOM 25867 OH2 TIP3 8903 72.480 37.583 46.170 1.00 0.00 WT1 O ATOM 25868 H1 TIP3 8903 72.599 38.018 47.014 1.00 0.00 WT1 H ATOM 25869 H2 TIP3 8903 73.182 37.930 45.620 1.00 0.00 WT1 H ATOM 25870 OH2 TIP3 8904 88.968 96.094 47.717 1.00 0.00 WT1 O ATOM 25871 H1 TIP3 8904 88.880 95.740 46.832 1.00 0.00 WT1 H ATOM 25872 H2 TIP3 8904 88.298 96.775 47.770 1.00 0.00 WT1 H ATOM 25873 OH2 TIP3 8905 53.347 13.251 57.532 1.00 0.00 WT1 O ATOM 25874 H1 TIP3 8905 52.627 12.908 57.001 1.00 0.00 WT1 H ATOM 25875 H2 TIP3 8905 53.112 14.165 57.693 1.00 0.00 WT1 H ATOM 25876 OH2 TIP3 8906 49.608 20.833 42.828 1.00 0.00 WT1 O ATOM 25877 H1 TIP3 8906 48.926 21.432 43.129 1.00 0.00 WT1 H ATOM 25878 H2 TIP3 8906 50.198 20.745 43.576 1.00 0.00 WT1 H ATOM 25879 OH2 TIP3 8907 47.327 26.745 -8.296 1.00 0.00 WT1 O ATOM 25880 H1 TIP3 8907 47.538 25.885 -7.933 1.00 0.00 WT1 H ATOM 25881 H2 TIP3 8907 48.108 27.273 -8.129 1.00 0.00 WT1 H ATOM 25882 OH2 TIP3 8908 64.673 94.957 46.713 1.00 0.00 WT1 O ATOM 25883 H1 TIP3 8908 65.045 94.501 45.958 1.00 0.00 WT1 H ATOM 25884 H2 TIP3 8908 64.273 94.264 47.239 1.00 0.00 WT1 H ATOM 25885 OH2 TIP3 8909 31.704 15.899 43.672 1.00 0.00 WT1 O ATOM 25886 H1 TIP3 8909 31.692 16.190 44.583 1.00 0.00 WT1 H ATOM 25887 H2 TIP3 8909 32.590 15.561 43.540 1.00 0.00 WT1 H ATOM 25888 OH2 TIP3 8910 87.497 56.149 25.160 1.00 0.00 WT1 O ATOM 25889 H1 TIP3 8910 87.988 56.218 24.341 1.00 0.00 WT1 H ATOM 25890 H2 TIP3 8910 86.945 55.376 25.044 1.00 0.00 WT1 H ATOM 25891 OH2 TIP3 8911 21.651 52.555 54.749 1.00 0.00 WT1 O ATOM 25892 H1 TIP3 8911 22.061 53.118 54.093 1.00 0.00 WT1 H ATOM 25893 H2 TIP3 8911 21.523 51.718 54.302 1.00 0.00 WT1 H ATOM 25894 OH2 TIP3 8912 54.623 30.001 12.591 1.00 0.00 WT1 O ATOM 25895 H1 TIP3 8912 54.626 30.091 13.544 1.00 0.00 WT1 H ATOM 25896 H2 TIP3 8912 53.843 29.480 12.401 1.00 0.00 WT1 H ATOM 25897 OH2 TIP3 8913 70.590 27.396 15.736 1.00 0.00 WT1 O ATOM 25898 H1 TIP3 8913 70.910 27.694 14.884 1.00 0.00 WT1 H ATOM 25899 H2 TIP3 8913 69.809 27.925 15.898 1.00 0.00 WT1 H ATOM 25900 OH2 TIP3 8914 77.277 51.643 56.500 1.00 0.00 WT1 O ATOM 25901 H1 TIP3 8914 76.989 51.699 57.411 1.00 0.00 WT1 H ATOM 25902 H2 TIP3 8914 76.655 52.187 56.018 1.00 0.00 WT1 H ATOM 25903 OH2 TIP3 8915 71.557 88.934 -7.687 1.00 0.00 WT1 O ATOM 25904 H1 TIP3 8915 71.711 88.320 -8.406 1.00 0.00 WT1 H ATOM 25905 H2 TIP3 8915 70.713 89.335 -7.890 1.00 0.00 WT1 H ATOM 25906 OH2 TIP3 8916 70.627 73.793 13.304 1.00 0.00 WT1 O ATOM 25907 H1 TIP3 8916 70.243 72.938 13.110 1.00 0.00 WT1 H ATOM 25908 H2 TIP3 8916 70.300 74.010 14.177 1.00 0.00 WT1 H ATOM 25909 OH2 TIP3 8917 45.608 23.581 41.330 1.00 0.00 WT1 O ATOM 25910 H1 TIP3 8917 46.427 23.132 41.539 1.00 0.00 WT1 H ATOM 25911 H2 TIP3 8917 45.023 23.364 42.055 1.00 0.00 WT1 H ATOM 25912 OH2 TIP3 8918 38.987 23.339 10.013 1.00 0.00 WT1 O ATOM 25913 H1 TIP3 8918 38.608 23.235 9.140 1.00 0.00 WT1 H ATOM 25914 H2 TIP3 8918 39.798 23.825 9.866 1.00 0.00 WT1 H ATOM 25915 OH2 TIP3 8919 53.574 90.679 49.224 1.00 0.00 WT1 O ATOM 25916 H1 TIP3 8919 52.709 90.715 48.818 1.00 0.00 WT1 H ATOM 25917 H2 TIP3 8919 53.956 91.540 49.053 1.00 0.00 WT1 H ATOM 25918 OH2 TIP3 8920 87.276 96.471 -3.574 1.00 0.00 WT1 O ATOM 25919 H1 TIP3 8920 87.067 96.469 -4.508 1.00 0.00 WT1 H ATOM 25920 H2 TIP3 8920 86.440 96.305 -3.140 1.00 0.00 WT1 H ATOM 25921 OH2 TIP3 8921 33.789 93.720 49.394 1.00 0.00 WT1 O ATOM 25922 H1 TIP3 8921 33.388 92.863 49.534 1.00 0.00 WT1 H ATOM 25923 H2 TIP3 8921 33.722 94.158 50.242 1.00 0.00 WT1 H ATOM 25924 OH2 TIP3 8922 33.822 46.324 37.162 1.00 0.00 WT1 O ATOM 25925 H1 TIP3 8922 33.103 45.959 37.679 1.00 0.00 WT1 H ATOM 25926 H2 TIP3 8922 34.479 45.628 37.140 1.00 0.00 WT1 H ATOM 25927 OH2 TIP3 8923 41.762 37.455 54.489 1.00 0.00 WT1 O ATOM 25928 H1 TIP3 8923 42.434 36.783 54.378 1.00 0.00 WT1 H ATOM 25929 H2 TIP3 8923 41.865 38.025 53.727 1.00 0.00 WT1 H ATOM 25930 OH2 TIP3 8924 70.383 76.266 55.496 1.00 0.00 WT1 O ATOM 25931 H1 TIP3 8924 70.509 75.357 55.224 1.00 0.00 WT1 H ATOM 25932 H2 TIP3 8924 70.686 76.784 54.751 1.00 0.00 WT1 H ATOM 25933 OH2 TIP3 8926 45.378 51.469 50.891 1.00 0.00 WT1 O ATOM 25934 H1 TIP3 8926 44.970 52.026 51.555 1.00 0.00 WT1 H ATOM 25935 H2 TIP3 8926 45.270 51.954 50.073 1.00 0.00 WT1 H ATOM 25936 OH2 TIP3 8927 60.596 93.053 60.736 1.00 0.00 WT1 O ATOM 25937 H1 TIP3 8927 60.802 93.031 61.671 1.00 0.00 WT1 H ATOM 25938 H2 TIP3 8927 59.640 93.037 60.701 1.00 0.00 WT1 H ATOM 25939 OH2 TIP3 8928 55.574 86.778 18.437 1.00 0.00 WT1 O ATOM 25940 H1 TIP3 8928 55.818 87.664 18.166 1.00 0.00 WT1 H ATOM 25941 H2 TIP3 8928 56.131 86.596 19.193 1.00 0.00 WT1 H ATOM 25942 OH2 TIP3 8929 24.880 56.702 31.381 1.00 0.00 WT1 O ATOM 25943 H1 TIP3 8929 24.470 57.484 31.011 1.00 0.00 WT1 H ATOM 25944 H2 TIP3 8929 24.961 56.100 30.641 1.00 0.00 WT1 H ATOM 25945 OH2 TIP3 8930 48.867 13.791 -3.657 1.00 0.00 WT1 O ATOM 25946 H1 TIP3 8930 49.457 14.102 -2.970 1.00 0.00 WT1 H ATOM 25947 H2 TIP3 8930 48.951 12.838 -3.632 1.00 0.00 WT1 H ATOM 25948 OH2 TIP3 8931 27.602 81.980 -2.339 1.00 0.00 WT1 O ATOM 25949 H1 TIP3 8931 28.387 81.462 -2.157 1.00 0.00 WT1 H ATOM 25950 H2 TIP3 8931 27.772 82.826 -1.925 1.00 0.00 WT1 H ATOM 25951 OH2 TIP3 8932 32.651 36.254 54.208 1.00 0.00 WT1 O ATOM 25952 H1 TIP3 8932 32.397 35.681 53.485 1.00 0.00 WT1 H ATOM 25953 H2 TIP3 8932 31.856 36.345 54.734 1.00 0.00 WT1 H ATOM 25954 OH2 TIP3 8933 30.114 82.663 33.658 1.00 0.00 WT1 O ATOM 25955 H1 TIP3 8933 29.545 82.535 34.417 1.00 0.00 WT1 H ATOM 25956 H2 TIP3 8933 30.438 81.787 33.449 1.00 0.00 WT1 H ATOM 25957 OH2 TIP3 8934 69.282 71.633 49.054 1.00 0.00 WT1 O ATOM 25958 H1 TIP3 8934 68.459 71.543 49.534 1.00 0.00 WT1 H ATOM 25959 H2 TIP3 8934 69.417 70.778 48.646 1.00 0.00 WT1 H ATOM 25960 OH2 TIP3 8935 30.542 31.793 7.185 1.00 0.00 WT1 O ATOM 25961 H1 TIP3 8935 29.982 32.562 7.076 1.00 0.00 WT1 H ATOM 25962 H2 TIP3 8935 31.431 32.124 7.057 1.00 0.00 WT1 H ATOM 25963 OH2 TIP3 8936 48.379 45.842 11.763 1.00 0.00 WT1 O ATOM 25964 H1 TIP3 8936 47.634 45.791 12.361 1.00 0.00 WT1 H ATOM 25965 H2 TIP3 8936 48.391 46.754 11.472 1.00 0.00 WT1 H ATOM 25966 OH2 TIP3 8937 23.541 54.102 45.975 1.00 0.00 WT1 O ATOM 25967 H1 TIP3 8937 23.587 53.160 46.139 1.00 0.00 WT1 H ATOM 25968 H2 TIP3 8937 24.362 54.447 46.325 1.00 0.00 WT1 H ATOM 25969 OH2 TIP3 8938 20.643 21.989 56.246 1.00 0.00 WT1 O ATOM 25970 H1 TIP3 8938 20.907 22.849 56.574 1.00 0.00 WT1 H ATOM 25971 H2 TIP3 8938 21.330 21.395 56.548 1.00 0.00 WT1 H ATOM 25972 OH2 TIP3 8939 46.273 69.782 3.094 1.00 0.00 WT1 O ATOM 25973 H1 TIP3 8939 45.509 69.978 3.636 1.00 0.00 WT1 H ATOM 25974 H2 TIP3 8939 46.929 69.460 3.712 1.00 0.00 WT1 H ATOM 25975 OH2 TIP3 8940 86.746 11.604 41.030 1.00 0.00 WT1 O ATOM 25976 H1 TIP3 8940 86.516 10.856 41.581 1.00 0.00 WT1 H ATOM 25977 H2 TIP3 8940 86.780 11.247 40.143 1.00 0.00 WT1 H ATOM 25978 OH2 TIP3 8941 67.001 12.977 6.405 1.00 0.00 WT1 O ATOM 25979 H1 TIP3 8941 67.413 13.739 5.999 1.00 0.00 WT1 H ATOM 25980 H2 TIP3 8941 67.574 12.759 7.141 1.00 0.00 WT1 H ATOM 25981 OH2 TIP3 8942 58.016 81.621 22.943 1.00 0.00 WT1 O ATOM 25982 H1 TIP3 8942 57.275 81.031 23.080 1.00 0.00 WT1 H ATOM 25983 H2 TIP3 8942 58.782 81.048 22.939 1.00 0.00 WT1 H ATOM 25984 OH2 TIP3 8943 30.664 22.486 18.298 1.00 0.00 WT1 O ATOM 25985 H1 TIP3 8943 29.814 22.838 18.034 1.00 0.00 WT1 H ATOM 25986 H2 TIP3 8943 30.701 22.633 19.243 1.00 0.00 WT1 H ATOM 25987 OH2 TIP3 8944 45.566 20.827 62.142 1.00 0.00 WT1 O ATOM 25988 H1 TIP3 8944 45.624 21.733 61.840 1.00 0.00 WT1 H ATOM 25989 H2 TIP3 8944 46.473 20.520 62.154 1.00 0.00 WT1 H ATOM 25990 OH2 TIP3 8945 74.052 37.471 2.674 1.00 0.00 WT1 O ATOM 25991 H1 TIP3 8945 73.469 37.450 3.432 1.00 0.00 WT1 H ATOM 25992 H2 TIP3 8945 73.665 36.851 2.056 1.00 0.00 WT1 H ATOM 25993 OH2 TIP3 8946 68.948 3.549 63.662 1.00 0.00 WT1 O ATOM 25994 H1 TIP3 8946 68.473 4.133 63.072 1.00 0.00 WT1 H ATOM 25995 H2 TIP3 8946 69.142 2.777 63.131 1.00 0.00 WT1 H ATOM 25996 OH2 TIP3 8947 64.179 62.221 -8.050 1.00 0.00 WT1 O ATOM 25997 H1 TIP3 8947 64.700 62.212 -8.853 1.00 0.00 WT1 H ATOM 25998 H2 TIP3 8947 63.790 61.348 -8.006 1.00 0.00 WT1 H ATOM 25999 OH2 TIP3 8948 78.677 36.211 45.088 1.00 0.00 WT1 O ATOM 26000 H1 TIP3 8948 79.593 36.426 45.264 1.00 0.00 WT1 H ATOM 26001 H2 TIP3 8948 78.714 35.394 44.589 1.00 0.00 WT1 H ATOM 26002 OH2 TIP3 8949 70.456 46.078 14.743 1.00 0.00 WT1 O ATOM 26003 H1 TIP3 8949 69.842 46.100 14.010 1.00 0.00 WT1 H ATOM 26004 H2 TIP3 8949 69.979 45.633 15.443 1.00 0.00 WT1 H ATOM 26005 OH2 TIP3 8950 66.994 32.632 23.027 1.00 0.00 WT1 O ATOM 26006 H1 TIP3 8950 66.821 32.003 23.728 1.00 0.00 WT1 H ATOM 26007 H2 TIP3 8950 66.741 33.478 23.396 1.00 0.00 WT1 H ATOM 26008 OH2 TIP3 8951 49.863 34.106 -19.570 1.00 0.00 WT1 O ATOM 26009 H1 TIP3 8951 49.048 33.667 -19.328 1.00 0.00 WT1 H ATOM 26010 H2 TIP3 8951 49.860 34.108 -20.527 1.00 0.00 WT1 H ATOM 26011 OH2 TIP3 8952 54.720 23.439 65.586 1.00 0.00 WT1 O ATOM 26012 H1 TIP3 8952 53.922 22.913 65.648 1.00 0.00 WT1 H ATOM 26013 H2 TIP3 8952 54.632 24.090 66.282 1.00 0.00 WT1 H ATOM 26014 OH2 TIP3 8953 48.820 37.523 15.934 1.00 0.00 WT1 O ATOM 26015 H1 TIP3 8953 48.432 36.648 15.918 1.00 0.00 WT1 H ATOM 26016 H2 TIP3 8953 48.854 37.753 16.863 1.00 0.00 WT1 H ATOM 26017 OH2 TIP3 8954 89.204 79.027 -13.967 1.00 0.00 WT1 O ATOM 26018 H1 TIP3 8954 90.016 78.856 -13.489 1.00 0.00 WT1 H ATOM 26019 H2 TIP3 8954 88.974 78.185 -14.360 1.00 0.00 WT1 H ATOM 26020 OH2 TIP3 8955 78.522 79.534 35.030 1.00 0.00 WT1 O ATOM 26021 H1 TIP3 8955 78.617 79.162 35.907 1.00 0.00 WT1 H ATOM 26022 H2 TIP3 8955 78.300 80.453 35.182 1.00 0.00 WT1 H ATOM 26023 OH2 TIP3 8956 51.771 6.430 13.568 1.00 0.00 WT1 O ATOM 26024 H1 TIP3 8956 50.839 6.218 13.531 1.00 0.00 WT1 H ATOM 26025 H2 TIP3 8956 51.885 6.865 14.413 1.00 0.00 WT1 H ATOM 26026 OH2 TIP3 8957 26.859 36.636 27.460 1.00 0.00 WT1 O ATOM 26027 H1 TIP3 8957 26.136 37.229 27.257 1.00 0.00 WT1 H ATOM 26028 H2 TIP3 8957 27.467 36.740 26.729 1.00 0.00 WT1 H ATOM 26029 OH2 TIP3 8958 62.048 27.805 57.918 1.00 0.00 WT1 O ATOM 26030 H1 TIP3 8958 62.058 28.730 58.166 1.00 0.00 WT1 H ATOM 26031 H2 TIP3 8958 62.948 27.617 57.653 1.00 0.00 WT1 H ATOM 26032 OH2 TIP3 8959 23.092 41.702 28.204 1.00 0.00 WT1 O ATOM 26033 H1 TIP3 8959 22.974 40.769 28.027 1.00 0.00 WT1 H ATOM 26034 H2 TIP3 8959 22.530 41.876 28.960 1.00 0.00 WT1 H ATOM 26035 OH2 TIP3 8960 42.760 1.102 46.819 1.00 0.00 WT1 O ATOM 26036 H1 TIP3 8960 41.873 1.453 46.750 1.00 0.00 WT1 H ATOM 26037 H2 TIP3 8960 43.093 1.113 45.922 1.00 0.00 WT1 H ATOM 26038 OH2 TIP3 8961 21.928 73.518 8.803 1.00 0.00 WT1 O ATOM 26039 H1 TIP3 8961 22.000 72.886 8.088 1.00 0.00 WT1 H ATOM 26040 H2 TIP3 8961 21.287 74.158 8.495 1.00 0.00 WT1 H ATOM 26041 OH2 TIP3 8962 64.332 38.937 -4.392 1.00 0.00 WT1 O ATOM 26042 H1 TIP3 8962 63.783 39.145 -3.636 1.00 0.00 WT1 H ATOM 26043 H2 TIP3 8962 64.090 38.040 -4.624 1.00 0.00 WT1 H ATOM 26044 OH2 TIP3 8963 22.545 94.033 35.995 1.00 0.00 WT1 O ATOM 26045 H1 TIP3 8963 22.138 93.803 35.160 1.00 0.00 WT1 H ATOM 26046 H2 TIP3 8963 22.432 93.253 36.539 1.00 0.00 WT1 H ATOM 26047 OH2 TIP3 8964 81.394 11.925 -14.864 1.00 0.00 WT1 O ATOM 26048 H1 TIP3 8964 80.966 11.239 -15.377 1.00 0.00 WT1 H ATOM 26049 H2 TIP3 8964 80.744 12.625 -14.810 1.00 0.00 WT1 H ATOM 26050 OH2 TIP3 8965 21.890 29.737 52.074 1.00 0.00 WT1 O ATOM 26051 H1 TIP3 8965 21.153 29.437 51.542 1.00 0.00 WT1 H ATOM 26052 H2 TIP3 8965 22.074 30.620 51.753 1.00 0.00 WT1 H ATOM 26053 OH2 TIP3 8966 28.288 48.949 29.999 1.00 0.00 WT1 O ATOM 26054 H1 TIP3 8966 27.626 49.095 30.675 1.00 0.00 WT1 H ATOM 26055 H2 TIP3 8966 27.992 48.163 29.539 1.00 0.00 WT1 H ATOM 26056 OH2 TIP3 8967 79.931 28.160 54.085 1.00 0.00 WT1 O ATOM 26057 H1 TIP3 8967 80.808 28.113 53.705 1.00 0.00 WT1 H ATOM 26058 H2 TIP3 8967 79.679 29.079 53.996 1.00 0.00 WT1 H ATOM 26059 OH2 TIP3 8968 77.510 40.731 4.453 1.00 0.00 WT1 O ATOM 26060 H1 TIP3 8968 77.075 40.058 4.976 1.00 0.00 WT1 H ATOM 26061 H2 TIP3 8968 77.386 41.539 4.951 1.00 0.00 WT1 H ATOM 26062 OH2 TIP3 8969 65.827 74.735 2.576 1.00 0.00 WT1 O ATOM 26063 H1 TIP3 8969 65.011 74.256 2.431 1.00 0.00 WT1 H ATOM 26064 H2 TIP3 8969 66.097 74.486 3.460 1.00 0.00 WT1 H ATOM 26065 OH2 TIP3 8970 27.911 77.628 -10.279 1.00 0.00 WT1 O ATOM 26066 H1 TIP3 8970 28.716 77.137 -10.113 1.00 0.00 WT1 H ATOM 26067 H2 TIP3 8970 27.754 78.112 -9.469 1.00 0.00 WT1 H ATOM 26068 OH2 TIP3 8971 73.464 29.162 66.857 1.00 0.00 WT1 O ATOM 26069 H1 TIP3 8971 73.482 30.106 66.700 1.00 0.00 WT1 H ATOM 26070 H2 TIP3 8971 72.699 28.852 66.371 1.00 0.00 WT1 H ATOM 26071 OH2 TIP3 8972 51.016 33.272 36.020 1.00 0.00 WT1 O ATOM 26072 H1 TIP3 8972 50.799 32.746 36.790 1.00 0.00 WT1 H ATOM 26073 H2 TIP3 8972 50.761 34.164 36.260 1.00 0.00 WT1 H ATOM 26074 OH2 TIP3 8973 66.417 61.216 -6.363 1.00 0.00 WT1 O ATOM 26075 H1 TIP3 8973 66.114 61.289 -5.457 1.00 0.00 WT1 H ATOM 26076 H2 TIP3 8973 65.727 61.631 -6.880 1.00 0.00 WT1 H ATOM 26077 OH2 TIP3 8974 53.025 64.836 56.321 1.00 0.00 WT1 O ATOM 26078 H1 TIP3 8974 53.272 63.972 55.990 1.00 0.00 WT1 H ATOM 26079 H2 TIP3 8974 53.417 65.451 55.701 1.00 0.00 WT1 H ATOM 26080 OH2 TIP3 8975 32.445 13.793 -6.929 1.00 0.00 WT1 O ATOM 26081 H1 TIP3 8975 31.717 13.311 -6.538 1.00 0.00 WT1 H ATOM 26082 H2 TIP3 8975 32.054 14.261 -7.667 1.00 0.00 WT1 H ATOM 26083 OH2 TIP3 8976 39.837 66.997 14.394 1.00 0.00 WT1 O ATOM 26084 H1 TIP3 8976 40.150 66.638 13.563 1.00 0.00 WT1 H ATOM 26085 H2 TIP3 8976 39.868 66.258 15.001 1.00 0.00 WT1 H ATOM 26086 OH2 TIP3 8977 39.520 81.575 19.548 1.00 0.00 WT1 O ATOM 26087 H1 TIP3 8977 40.307 81.979 19.913 1.00 0.00 WT1 H ATOM 26088 H2 TIP3 8977 39.237 80.952 20.218 1.00 0.00 WT1 H ATOM 26089 OH2 TIP3 8978 57.011 1.844 -19.026 1.00 0.00 WT1 O ATOM 26090 H1 TIP3 8978 57.377 1.277 -18.348 1.00 0.00 WT1 H ATOM 26091 H2 TIP3 8978 56.063 1.762 -18.923 1.00 0.00 WT1 H ATOM 26092 OH2 TIP3 8979 63.922 34.123 13.522 1.00 0.00 WT1 O ATOM 26093 H1 TIP3 8979 63.326 34.866 13.609 1.00 0.00 WT1 H ATOM 26094 H2 TIP3 8979 64.108 33.857 14.422 1.00 0.00 WT1 H ATOM 26095 OH2 TIP3 8980 51.907 37.991 48.538 1.00 0.00 WT1 O ATOM 26096 H1 TIP3 8980 52.343 38.825 48.364 1.00 0.00 WT1 H ATOM 26097 H2 TIP3 8980 50.994 38.228 48.702 1.00 0.00 WT1 H ATOM 26098 OH2 TIP3 8981 69.402 40.533 28.372 1.00 0.00 WT1 O ATOM 26099 H1 TIP3 8981 69.076 40.743 27.497 1.00 0.00 WT1 H ATOM 26100 H2 TIP3 8981 68.898 41.098 28.958 1.00 0.00 WT1 H ATOM 26101 OH2 TIP3 8982 86.084 63.337 10.725 1.00 0.00 WT1 O ATOM 26102 H1 TIP3 8982 85.744 62.975 9.907 1.00 0.00 WT1 H ATOM 26103 H2 TIP3 8982 85.422 63.114 11.380 1.00 0.00 WT1 H ATOM 26104 OH2 TIP3 8983 27.723 52.517 -18.420 1.00 0.00 WT1 O ATOM 26105 H1 TIP3 8983 28.307 52.151 -17.756 1.00 0.00 WT1 H ATOM 26106 H2 TIP3 8983 27.055 52.985 -17.920 1.00 0.00 WT1 H ATOM 26107 OH2 TIP3 8984 28.754 73.005 64.113 1.00 0.00 WT1 O ATOM 26108 H1 TIP3 8984 28.641 73.538 64.901 1.00 0.00 WT1 H ATOM 26109 H2 TIP3 8984 28.937 72.125 64.443 1.00 0.00 WT1 H ATOM 26110 OH2 TIP3 8985 65.521 79.958 -6.534 1.00 0.00 WT1 O ATOM 26111 H1 TIP3 8985 65.822 80.331 -5.705 1.00 0.00 WT1 H ATOM 26112 H2 TIP3 8985 64.836 79.338 -6.283 1.00 0.00 WT1 H ATOM 26113 OH2 TIP3 8986 68.317 33.508 49.092 1.00 0.00 WT1 O ATOM 26114 H1 TIP3 8986 67.672 32.975 48.628 1.00 0.00 WT1 H ATOM 26115 H2 TIP3 8986 67.832 34.286 49.368 1.00 0.00 WT1 H ATOM 26116 OH2 TIP3 8987 64.179 28.470 60.129 1.00 0.00 WT1 O ATOM 26117 H1 TIP3 8987 63.395 28.939 59.843 1.00 0.00 WT1 H ATOM 26118 H2 TIP3 8987 64.459 28.930 60.920 1.00 0.00 WT1 H ATOM 26119 OH2 TIP3 8988 27.687 6.681 55.379 1.00 0.00 WT1 O ATOM 26120 H1 TIP3 8988 28.353 7.039 55.966 1.00 0.00 WT1 H ATOM 26121 H2 TIP3 8988 28.184 6.192 54.723 1.00 0.00 WT1 H ATOM 26122 OH2 TIP3 8989 69.011 93.413 17.255 1.00 0.00 WT1 O ATOM 26123 H1 TIP3 8989 68.269 93.015 17.710 1.00 0.00 WT1 H ATOM 26124 H2 TIP3 8989 69.029 92.982 16.400 1.00 0.00 WT1 H ATOM 26125 OH2 TIP3 8990 89.199 62.997 1.497 1.00 0.00 WT1 O ATOM 26126 H1 TIP3 8990 89.387 63.801 1.981 1.00 0.00 WT1 H ATOM 26127 H2 TIP3 8990 89.735 62.329 1.923 1.00 0.00 WT1 H ATOM 26128 OH2 TIP3 8991 37.026 0.408 13.922 1.00 0.00 WT1 O ATOM 26129 H1 TIP3 8991 37.570 0.084 14.639 1.00 0.00 WT1 H ATOM 26130 H2 TIP3 8991 36.605 1.192 14.275 1.00 0.00 WT1 H ATOM 26131 OH2 TIP3 8992 87.558 50.755 48.620 1.00 0.00 WT1 O ATOM 26132 H1 TIP3 8992 88.192 50.058 48.784 1.00 0.00 WT1 H ATOM 26133 H2 TIP3 8992 86.726 50.403 48.937 1.00 0.00 WT1 H ATOM 26134 OH2 TIP3 8993 68.452 72.587 53.324 1.00 0.00 WT1 O ATOM 26135 H1 TIP3 8993 67.944 71.779 53.255 1.00 0.00 WT1 H ATOM 26136 H2 TIP3 8993 69.255 72.408 52.835 1.00 0.00 WT1 H ATOM 26137 OH2 TIP3 8994 59.413 64.622 32.665 1.00 0.00 WT1 O ATOM 26138 H1 TIP3 8994 58.541 64.235 32.580 1.00 0.00 WT1 H ATOM 26139 H2 TIP3 8994 59.396 65.382 32.083 1.00 0.00 WT1 H ATOM 26140 OH2 TIP3 8995 83.202 12.244 -6.090 1.00 0.00 WT1 O ATOM 26141 H1 TIP3 8995 82.635 12.926 -5.730 1.00 0.00 WT1 H ATOM 26142 H2 TIP3 8995 84.072 12.643 -6.114 1.00 0.00 WT1 H ATOM 26143 OH2 TIP3 8996 30.937 31.567 50.391 1.00 0.00 WT1 O ATOM 26144 H1 TIP3 8996 30.290 30.907 50.640 1.00 0.00 WT1 H ATOM 26145 H2 TIP3 8996 30.716 31.789 49.486 1.00 0.00 WT1 H ATOM 26146 OH2 TIP3 8997 83.076 43.763 32.841 1.00 0.00 WT1 O ATOM 26147 H1 TIP3 8997 83.434 44.248 33.585 1.00 0.00 WT1 H ATOM 26148 H2 TIP3 8997 83.261 42.846 33.041 1.00 0.00 WT1 H ATOM 26149 OH2 TIP3 8998 89.308 7.337 52.528 1.00 0.00 WT1 O ATOM 26150 H1 TIP3 8998 89.048 7.930 51.823 1.00 0.00 WT1 H ATOM 26151 H2 TIP3 8998 88.650 6.641 52.511 1.00 0.00 WT1 H ATOM 26152 OH2 TIP3 8999 30.494 45.848 52.662 1.00 0.00 WT1 O ATOM 26153 H1 TIP3 8999 30.095 45.071 52.271 1.00 0.00 WT1 H ATOM 26154 H2 TIP3 8999 31.055 45.506 53.358 1.00 0.00 WT1 H ATOM 26155 OH2 TIP3 9000 59.328 60.737 29.532 1.00 0.00 WT1 O ATOM 26156 H1 TIP3 9000 58.915 60.621 28.676 1.00 0.00 WT1 H ATOM 26157 H2 TIP3 9000 58.729 61.308 30.012 1.00 0.00 WT1 H ATOM 26158 OH2 TIP3 9001 31.258 93.174 4.862 1.00 0.00 WT1 O ATOM 26159 H1 TIP3 9001 30.806 92.744 5.588 1.00 0.00 WT1 H ATOM 26160 H2 TIP3 9001 31.406 92.475 4.225 1.00 0.00 WT1 H ATOM 26161 OH2 TIP3 9002 67.594 38.110 27.159 1.00 0.00 WT1 O ATOM 26162 H1 TIP3 9002 68.021 38.312 27.990 1.00 0.00 WT1 H ATOM 26163 H2 TIP3 9002 67.769 38.872 26.606 1.00 0.00 WT1 H ATOM 26164 OH2 TIP3 9003 82.764 35.150 58.711 1.00 0.00 WT1 O ATOM 26165 H1 TIP3 9003 82.629 36.061 58.973 1.00 0.00 WT1 H ATOM 26166 H2 TIP3 9003 81.885 34.771 58.701 1.00 0.00 WT1 H ATOM 26167 OH2 TIP3 9004 60.077 68.739 35.731 1.00 0.00 WT1 O ATOM 26168 H1 TIP3 9004 60.707 68.019 35.721 1.00 0.00 WT1 H ATOM 26169 H2 TIP3 9004 59.369 68.447 35.158 1.00 0.00 WT1 H ATOM 26170 OH2 TIP3 9005 39.321 66.617 34.458 1.00 0.00 WT1 O ATOM 26171 H1 TIP3 9005 40.125 66.178 34.734 1.00 0.00 WT1 H ATOM 26172 H2 TIP3 9005 39.376 67.488 34.850 1.00 0.00 WT1 H ATOM 26173 OH2 TIP3 9006 85.715 33.905 18.634 1.00 0.00 WT1 O ATOM 26174 H1 TIP3 9006 86.202 33.170 18.261 1.00 0.00 WT1 H ATOM 26175 H2 TIP3 9006 85.294 33.543 19.414 1.00 0.00 WT1 H ATOM 26176 OH2 TIP3 9007 44.524 25.913 -9.655 1.00 0.00 WT1 O ATOM 26177 H1 TIP3 9007 45.439 25.831 -9.389 1.00 0.00 WT1 H ATOM 26178 H2 TIP3 9007 44.052 26.092 -8.842 1.00 0.00 WT1 H ATOM 26179 OH2 TIP3 9008 44.764 45.093 -6.613 1.00 0.00 WT1 O ATOM 26180 H1 TIP3 9008 44.839 46.040 -6.729 1.00 0.00 WT1 H ATOM 26181 H2 TIP3 9008 44.925 44.952 -5.680 1.00 0.00 WT1 H ATOM 26182 OH2 TIP3 9009 67.661 12.599 -14.182 1.00 0.00 WT1 O ATOM 26183 H1 TIP3 9009 67.539 13.498 -13.878 1.00 0.00 WT1 H ATOM 26184 H2 TIP3 9009 68.501 12.612 -14.640 1.00 0.00 WT1 H ATOM 26185 OH2 TIP3 9010 56.451 51.307 -16.297 1.00 0.00 WT1 O ATOM 26186 H1 TIP3 9010 55.867 51.747 -15.679 1.00 0.00 WT1 H ATOM 26187 H2 TIP3 9010 57.162 51.932 -16.442 1.00 0.00 WT1 H ATOM 26188 OH2 TIP3 9011 54.751 60.920 23.125 1.00 0.00 WT1 O ATOM 26189 H1 TIP3 9011 54.327 60.504 22.375 1.00 0.00 WT1 H ATOM 26190 H2 TIP3 9011 54.691 60.270 23.825 1.00 0.00 WT1 H ATOM 26191 OH2 TIP3 9012 33.008 19.259 47.463 1.00 0.00 WT1 O ATOM 26192 H1 TIP3 9012 33.676 18.860 48.020 1.00 0.00 WT1 H ATOM 26193 H2 TIP3 9012 32.818 20.099 47.880 1.00 0.00 WT1 H ATOM 26194 OH2 TIP3 9013 76.643 93.274 54.840 1.00 0.00 WT1 O ATOM 26195 H1 TIP3 9013 76.980 94.159 54.976 1.00 0.00 WT1 H ATOM 26196 H2 TIP3 9013 75.856 93.396 54.309 1.00 0.00 WT1 H ATOM 26197 OH2 TIP3 9014 38.014 91.000 43.374 1.00 0.00 WT1 O ATOM 26198 H1 TIP3 9014 38.644 91.311 44.023 1.00 0.00 WT1 H ATOM 26199 H2 TIP3 9014 37.633 90.215 43.767 1.00 0.00 WT1 H ATOM 26200 OH2 TIP3 9015 49.179 79.759 61.331 1.00 0.00 WT1 O ATOM 26201 H1 TIP3 9015 49.946 80.041 60.833 1.00 0.00 WT1 H ATOM 26202 H2 TIP3 9015 49.197 78.803 61.281 1.00 0.00 WT1 H ATOM 26203 OH2 TIP3 9016 62.920 10.609 41.471 1.00 0.00 WT1 O ATOM 26204 H1 TIP3 9016 63.433 11.198 40.918 1.00 0.00 WT1 H ATOM 26205 H2 TIP3 9016 62.266 10.235 40.880 1.00 0.00 WT1 H ATOM 26206 OH2 TIP3 9017 82.671 19.696 1.022 1.00 0.00 WT1 O ATOM 26207 H1 TIP3 9017 83.490 19.612 0.534 1.00 0.00 WT1 H ATOM 26208 H2 TIP3 9017 82.354 20.574 0.810 1.00 0.00 WT1 H ATOM 26209 OH2 TIP3 9018 61.883 45.884 36.733 1.00 0.00 WT1 O ATOM 26210 H1 TIP3 9018 61.893 45.277 35.993 1.00 0.00 WT1 H ATOM 26211 H2 TIP3 9018 61.669 46.732 36.345 1.00 0.00 WT1 H ATOM 26212 OH2 TIP3 9019 71.536 34.049 41.755 1.00 0.00 WT1 O ATOM 26213 H1 TIP3 9019 70.667 34.095 41.358 1.00 0.00 WT1 H ATOM 26214 H2 TIP3 9019 71.536 33.223 42.239 1.00 0.00 WT1 H ATOM 26215 OH2 TIP3 9020 24.379 58.496 13.033 1.00 0.00 WT1 O ATOM 26216 H1 TIP3 9020 25.061 58.669 13.683 1.00 0.00 WT1 H ATOM 26217 H2 TIP3 9020 23.621 58.991 13.344 1.00 0.00 WT1 H ATOM 26218 OH2 TIP3 9021 87.916 15.346 57.128 1.00 0.00 WT1 O ATOM 26219 H1 TIP3 9021 86.979 15.531 57.189 1.00 0.00 WT1 H ATOM 26220 H2 TIP3 9021 88.314 15.897 57.802 1.00 0.00 WT1 H ATOM 26221 OH2 TIP3 9022 28.244 21.373 30.323 1.00 0.00 WT1 O ATOM 26222 H1 TIP3 9022 27.373 21.690 30.082 1.00 0.00 WT1 H ATOM 26223 H2 TIP3 9022 28.759 21.453 29.520 1.00 0.00 WT1 H ATOM 26224 OH2 TIP3 9023 52.797 38.428 8.262 1.00 0.00 WT1 O ATOM 26225 H1 TIP3 9023 53.506 38.294 8.891 1.00 0.00 WT1 H ATOM 26226 H2 TIP3 9023 52.603 39.364 8.313 1.00 0.00 WT1 H ATOM 26227 OH2 TIP3 9024 62.299 9.140 52.454 1.00 0.00 WT1 O ATOM 26228 H1 TIP3 9024 62.720 9.997 52.396 1.00 0.00 WT1 H ATOM 26229 H2 TIP3 9024 62.638 8.654 51.702 1.00 0.00 WT1 H ATOM 26230 OH2 TIP3 9025 62.062 19.442 37.304 1.00 0.00 WT1 O ATOM 26231 H1 TIP3 9025 61.205 19.070 37.095 1.00 0.00 WT1 H ATOM 26232 H2 TIP3 9025 62.315 19.919 36.514 1.00 0.00 WT1 H ATOM 26233 OH2 TIP3 9026 50.394 30.113 65.708 1.00 0.00 WT1 O ATOM 26234 H1 TIP3 9026 50.123 30.361 64.824 1.00 0.00 WT1 H ATOM 26235 H2 TIP3 9026 49.596 30.185 66.232 1.00 0.00 WT1 H ATOM 26236 OH2 TIP3 9027 45.418 77.668 32.025 1.00 0.00 WT1 O ATOM 26237 H1 TIP3 9027 44.765 78.048 31.438 1.00 0.00 WT1 H ATOM 26238 H2 TIP3 9027 45.440 76.740 31.792 1.00 0.00 WT1 H ATOM 26239 OH2 TIP3 9028 49.654 25.908 -3.052 1.00 0.00 WT1 O ATOM 26240 H1 TIP3 9028 49.066 26.647 -2.895 1.00 0.00 WT1 H ATOM 26241 H2 TIP3 9028 50.275 25.937 -2.324 1.00 0.00 WT1 H ATOM 26242 OH2 TIP3 9029 49.657 8.478 5.805 1.00 0.00 WT1 O ATOM 26243 H1 TIP3 9029 49.243 8.228 6.631 1.00 0.00 WT1 H ATOM 26244 H2 TIP3 9029 50.055 7.670 5.481 1.00 0.00 WT1 H ATOM 26245 OH2 TIP3 9030 55.647 47.618 -6.068 1.00 0.00 WT1 O ATOM 26246 H1 TIP3 9030 55.338 48.091 -5.296 1.00 0.00 WT1 H ATOM 26247 H2 TIP3 9030 56.263 48.218 -6.487 1.00 0.00 WT1 H ATOM 26248 OH2 TIP3 9032 31.015 1.562 51.470 1.00 0.00 WT1 O ATOM 26249 H1 TIP3 9032 31.346 2.077 50.735 1.00 0.00 WT1 H ATOM 26250 H2 TIP3 9032 31.719 1.586 52.118 1.00 0.00 WT1 H ATOM 26251 OH2 TIP3 9033 65.180 0.213 41.983 1.00 0.00 WT1 O ATOM 26252 H1 TIP3 9033 65.282 1.057 41.543 1.00 0.00 WT1 H ATOM 26253 H2 TIP3 9033 65.617 -0.414 41.406 1.00 0.00 WT1 H ATOM 26254 OH2 TIP3 9034 73.939 62.956 55.805 1.00 0.00 WT1 O ATOM 26255 H1 TIP3 9034 73.849 63.901 55.929 1.00 0.00 WT1 H ATOM 26256 H2 TIP3 9034 73.073 62.668 55.517 1.00 0.00 WT1 H ATOM 26257 OH2 TIP3 9035 43.746 16.060 24.523 1.00 0.00 WT1 O ATOM 26258 H1 TIP3 9035 42.983 15.613 24.155 1.00 0.00 WT1 H ATOM 26259 H2 TIP3 9035 43.855 16.838 23.977 1.00 0.00 WT1 H ATOM 26260 OH2 TIP3 9036 45.827 18.538 57.193 1.00 0.00 WT1 O ATOM 26261 H1 TIP3 9036 46.679 18.138 57.367 1.00 0.00 WT1 H ATOM 26262 H2 TIP3 9036 45.620 19.020 57.994 1.00 0.00 WT1 H ATOM 26263 OH2 TIP3 9037 22.605 27.942 7.008 1.00 0.00 WT1 O ATOM 26264 H1 TIP3 9037 22.976 27.536 7.791 1.00 0.00 WT1 H ATOM 26265 H2 TIP3 9037 21.696 28.129 7.243 1.00 0.00 WT1 H ATOM 26266 OH2 TIP3 9038 25.786 93.463 50.181 1.00 0.00 WT1 O ATOM 26267 H1 TIP3 9038 26.358 94.010 49.644 1.00 0.00 WT1 H ATOM 26268 H2 TIP3 9038 25.119 93.144 49.573 1.00 0.00 WT1 H ATOM 26269 OH2 TIP3 9039 46.974 78.249 28.711 1.00 0.00 WT1 O ATOM 26270 H1 TIP3 9039 46.601 77.390 28.910 1.00 0.00 WT1 H ATOM 26271 H2 TIP3 9039 47.347 78.151 27.835 1.00 0.00 WT1 H ATOM 26272 OH2 TIP3 9040 82.029 62.181 -2.178 1.00 0.00 WT1 O ATOM 26273 H1 TIP3 9040 81.830 62.260 -1.245 1.00 0.00 WT1 H ATOM 26274 H2 TIP3 9040 82.908 62.547 -2.268 1.00 0.00 WT1 H ATOM 26275 OH2 TIP3 9041 28.172 6.931 30.543 1.00 0.00 WT1 O ATOM 26276 H1 TIP3 9041 28.133 7.869 30.360 1.00 0.00 WT1 H ATOM 26277 H2 TIP3 9041 28.702 6.569 29.833 1.00 0.00 WT1 H ATOM 26278 OH2 TIP3 9042 32.513 8.555 10.258 1.00 0.00 WT1 O ATOM 26279 H1 TIP3 9042 33.196 7.892 10.354 1.00 0.00 WT1 H ATOM 26280 H2 TIP3 9042 32.076 8.574 11.109 1.00 0.00 WT1 H ATOM 26281 OH2 TIP3 9043 51.270 2.040 -15.220 1.00 0.00 WT1 O ATOM 26282 H1 TIP3 9043 50.637 1.852 -14.527 1.00 0.00 WT1 H ATOM 26283 H2 TIP3 9043 51.280 2.995 -15.283 1.00 0.00 WT1 H ATOM 26284 OH2 TIP3 9044 50.596 0.376 8.238 1.00 0.00 WT1 O ATOM 26285 H1 TIP3 9044 50.745 1.265 8.562 1.00 0.00 WT1 H ATOM 26286 H2 TIP3 9044 51.470 -0.011 8.187 1.00 0.00 WT1 H ATOM 26287 OH2 TIP3 9045 73.595 50.374 32.559 1.00 0.00 WT1 O ATOM 26288 H1 TIP3 9045 73.404 50.173 33.474 1.00 0.00 WT1 H ATOM 26289 H2 TIP3 9045 73.484 51.323 32.493 1.00 0.00 WT1 H ATOM 26290 OH2 TIP3 9046 70.417 16.717 36.260 1.00 0.00 WT1 O ATOM 26291 H1 TIP3 9046 70.406 16.874 37.205 1.00 0.00 WT1 H ATOM 26292 H2 TIP3 9046 70.166 15.798 36.167 1.00 0.00 WT1 H ATOM 26293 OH2 TIP3 9047 84.102 23.340 -17.461 1.00 0.00 WT1 O ATOM 26294 H1 TIP3 9047 84.870 23.356 -18.032 1.00 0.00 WT1 H ATOM 26295 H2 TIP3 9047 84.018 22.424 -17.198 1.00 0.00 WT1 H ATOM 26296 OH2 TIP3 9048 84.258 0.214 12.466 1.00 0.00 WT1 O ATOM 26297 H1 TIP3 9048 84.550 1.117 12.335 1.00 0.00 WT1 H ATOM 26298 H2 TIP3 9048 84.332 -0.190 11.602 1.00 0.00 WT1 H ATOM 26299 OH2 TIP3 9049 25.036 19.559 14.244 1.00 0.00 WT1 O ATOM 26300 H1 TIP3 9049 25.542 19.577 13.432 1.00 0.00 WT1 H ATOM 26301 H2 TIP3 9049 24.840 20.478 14.425 1.00 0.00 WT1 H ATOM 26302 OH2 TIP3 9050 90.732 28.798 40.100 1.00 0.00 WT1 O ATOM 26303 H1 TIP3 9050 89.806 28.562 40.151 1.00 0.00 WT1 H ATOM 26304 H2 TIP3 9050 90.910 29.252 40.923 1.00 0.00 WT1 H ATOM 26305 OH2 TIP3 9051 27.474 69.003 44.340 1.00 0.00 WT1 O ATOM 26306 H1 TIP3 9051 27.443 69.822 44.834 1.00 0.00 WT1 H ATOM 26307 H2 TIP3 9051 27.676 69.270 43.444 1.00 0.00 WT1 H ATOM 26308 OH2 TIP3 9052 73.740 70.883 21.158 1.00 0.00 WT1 O ATOM 26309 H1 TIP3 9052 72.980 71.048 21.717 1.00 0.00 WT1 H ATOM 26310 H2 TIP3 9052 73.375 70.791 20.278 1.00 0.00 WT1 H ATOM 26311 OH2 TIP3 9053 42.011 88.738 -14.338 1.00 0.00 WT1 O ATOM 26312 H1 TIP3 9053 42.909 88.518 -14.585 1.00 0.00 WT1 H ATOM 26313 H2 TIP3 9053 41.468 88.312 -15.001 1.00 0.00 WT1 H ATOM 26314 OH2 TIP3 9054 25.604 55.659 -10.698 1.00 0.00 WT1 O ATOM 26315 H1 TIP3 9054 26.389 55.113 -10.735 1.00 0.00 WT1 H ATOM 26316 H2 TIP3 9054 25.832 56.441 -11.201 1.00 0.00 WT1 H ATOM 26317 OH2 TIP3 9055 50.058 89.387 -18.165 1.00 0.00 WT1 O ATOM 26318 H1 TIP3 9055 49.667 88.556 -17.896 1.00 0.00 WT1 H ATOM 26319 H2 TIP3 9055 50.088 89.909 -17.363 1.00 0.00 WT1 H ATOM 26320 OH2 TIP3 9056 63.151 14.309 24.044 1.00 0.00 WT1 O ATOM 26321 H1 TIP3 9056 64.038 14.591 24.269 1.00 0.00 WT1 H ATOM 26322 H2 TIP3 9056 62.781 15.047 23.559 1.00 0.00 WT1 H ATOM 26323 OH2 TIP3 9057 48.260 65.338 -18.458 1.00 0.00 WT1 O ATOM 26324 H1 TIP3 9057 48.963 65.245 -17.815 1.00 0.00 WT1 H ATOM 26325 H2 TIP3 9057 48.555 66.041 -19.037 1.00 0.00 WT1 H ATOM 26326 OH2 TIP3 9058 25.255 46.164 62.845 1.00 0.00 WT1 O ATOM 26327 H1 TIP3 9058 26.185 46.015 62.674 1.00 0.00 WT1 H ATOM 26328 H2 TIP3 9058 25.228 47.000 63.312 1.00 0.00 WT1 H ATOM 26329 OH2 TIP3 9059 63.120 3.856 49.794 1.00 0.00 WT1 O ATOM 26330 H1 TIP3 9059 63.422 4.714 50.091 1.00 0.00 WT1 H ATOM 26331 H2 TIP3 9059 63.819 3.254 50.049 1.00 0.00 WT1 H ATOM 26332 OH2 TIP3 9060 64.031 40.900 45.655 1.00 0.00 WT1 O ATOM 26333 H1 TIP3 9060 63.404 40.255 45.983 1.00 0.00 WT1 H ATOM 26334 H2 TIP3 9060 63.488 41.593 45.279 1.00 0.00 WT1 H ATOM 26335 OH2 TIP3 9061 23.228 40.546 63.901 1.00 0.00 WT1 O ATOM 26336 H1 TIP3 9061 22.719 41.209 64.366 1.00 0.00 WT1 H ATOM 26337 H2 TIP3 9061 23.341 40.904 63.021 1.00 0.00 WT1 H ATOM 26338 OH2 TIP3 9062 31.183 52.845 40.511 1.00 0.00 WT1 O ATOM 26339 H1 TIP3 9062 32.137 52.866 40.582 1.00 0.00 WT1 H ATOM 26340 H2 TIP3 9062 30.999 52.061 39.993 1.00 0.00 WT1 H ATOM 26341 OH2 TIP3 9063 65.656 43.362 30.584 1.00 0.00 WT1 O ATOM 26342 H1 TIP3 9063 65.135 43.945 30.032 1.00 0.00 WT1 H ATOM 26343 H2 TIP3 9063 65.054 42.656 30.822 1.00 0.00 WT1 H ATOM 26344 OH2 TIP3 9066 30.608 86.732 14.313 1.00 0.00 WT1 O ATOM 26345 H1 TIP3 9066 31.038 87.492 13.921 1.00 0.00 WT1 H ATOM 26346 H2 TIP3 9066 31.085 86.581 15.129 1.00 0.00 WT1 H ATOM 26347 OH2 TIP3 9067 85.676 75.177 10.660 1.00 0.00 WT1 O ATOM 26348 H1 TIP3 9067 85.919 76.038 11.002 1.00 0.00 WT1 H ATOM 26349 H2 TIP3 9067 86.356 74.588 10.986 1.00 0.00 WT1 H ATOM 26350 OH2 TIP3 9070 26.375 34.058 63.137 1.00 0.00 WT1 O ATOM 26351 H1 TIP3 9070 26.203 34.995 63.052 1.00 0.00 WT1 H ATOM 26352 H2 TIP3 9070 25.658 33.730 63.679 1.00 0.00 WT1 H ATOM 26353 OH2 TIP3 9071 21.677 41.959 16.995 1.00 0.00 WT1 O ATOM 26354 H1 TIP3 9071 22.131 41.528 16.271 1.00 0.00 WT1 H ATOM 26355 H2 TIP3 9071 21.201 41.254 17.434 1.00 0.00 WT1 H ATOM 26356 OH2 TIP3 9072 57.043 28.310 17.294 1.00 0.00 WT1 O ATOM 26357 H1 TIP3 9072 56.970 28.758 18.137 1.00 0.00 WT1 H ATOM 26358 H2 TIP3 9072 57.387 28.975 16.698 1.00 0.00 WT1 H ATOM 26359 OH2 TIP3 9073 69.357 86.216 5.306 1.00 0.00 WT1 O ATOM 26360 H1 TIP3 9073 68.643 85.603 5.131 1.00 0.00 WT1 H ATOM 26361 H2 TIP3 9073 70.117 85.658 5.472 1.00 0.00 WT1 H ATOM 26362 OH2 TIP3 9074 68.724 26.475 -14.320 1.00 0.00 WT1 O ATOM 26363 H1 TIP3 9074 68.883 27.035 -13.561 1.00 0.00 WT1 H ATOM 26364 H2 TIP3 9074 67.771 26.450 -14.406 1.00 0.00 WT1 H ATOM 26365 OH2 TIP3 9075 27.852 78.537 9.808 1.00 0.00 WT1 O ATOM 26366 H1 TIP3 9075 28.025 79.441 9.544 1.00 0.00 WT1 H ATOM 26367 H2 TIP3 9075 28.047 78.519 10.745 1.00 0.00 WT1 H ATOM 26368 OH2 TIP3 9076 81.553 68.019 31.750 1.00 0.00 WT1 O ATOM 26369 H1 TIP3 9076 82.170 68.648 32.124 1.00 0.00 WT1 H ATOM 26370 H2 TIP3 9076 81.412 67.378 32.447 1.00 0.00 WT1 H ATOM 26371 OH2 TIP3 9078 76.627 41.098 53.970 1.00 0.00 WT1 O ATOM 26372 H1 TIP3 9078 76.226 41.957 54.104 1.00 0.00 WT1 H ATOM 26373 H2 TIP3 9078 75.916 40.550 53.639 1.00 0.00 WT1 H ATOM 26374 OH2 TIP3 9079 85.775 41.478 56.279 1.00 0.00 WT1 O ATOM 26375 H1 TIP3 9079 86.051 41.966 57.055 1.00 0.00 WT1 H ATOM 26376 H2 TIP3 9079 85.087 42.017 55.889 1.00 0.00 WT1 H ATOM 26377 OH2 TIP3 9080 42.682 91.359 5.426 1.00 0.00 WT1 O ATOM 26378 H1 TIP3 9080 43.221 91.043 4.701 1.00 0.00 WT1 H ATOM 26379 H2 TIP3 9080 41.879 90.841 5.372 1.00 0.00 WT1 H ATOM 26380 OH2 TIP3 9081 85.484 28.006 -12.913 1.00 0.00 WT1 O ATOM 26381 H1 TIP3 9081 84.893 27.282 -13.119 1.00 0.00 WT1 H ATOM 26382 H2 TIP3 9081 85.019 28.788 -13.212 1.00 0.00 WT1 H ATOM 26383 OH2 TIP3 9082 46.522 56.510 8.747 1.00 0.00 WT1 O ATOM 26384 H1 TIP3 9082 46.559 57.275 8.171 1.00 0.00 WT1 H ATOM 26385 H2 TIP3 9082 47.418 56.409 9.069 1.00 0.00 WT1 H ATOM 26386 OH2 TIP3 9083 57.060 61.728 40.293 1.00 0.00 WT1 O ATOM 26387 H1 TIP3 9083 56.263 61.352 39.921 1.00 0.00 WT1 H ATOM 26388 H2 TIP3 9083 57.421 61.032 40.842 1.00 0.00 WT1 H ATOM 26389 OH2 TIP3 9084 44.218 92.382 21.838 1.00 0.00 WT1 O ATOM 26390 H1 TIP3 9084 44.194 91.958 20.980 1.00 0.00 WT1 H ATOM 26391 H2 TIP3 9084 44.939 91.952 22.298 1.00 0.00 WT1 H ATOM 26392 OH2 TIP3 9085 90.019 73.259 0.070 1.00 0.00 WT1 O ATOM 26393 H1 TIP3 9085 90.528 72.705 0.663 1.00 0.00 WT1 H ATOM 26394 H2 TIP3 9085 90.651 73.551 -0.587 1.00 0.00 WT1 H ATOM 26395 OH2 TIP3 9086 58.150 44.749 -16.509 1.00 0.00 WT1 O ATOM 26396 H1 TIP3 9086 58.229 44.051 -15.858 1.00 0.00 WT1 H ATOM 26397 H2 TIP3 9086 59.036 45.102 -16.592 1.00 0.00 WT1 H ATOM 26398 OH2 TIP3 9087 82.129 31.564 45.298 1.00 0.00 WT1 O ATOM 26399 H1 TIP3 9087 83.055 31.324 45.259 1.00 0.00 WT1 H ATOM 26400 H2 TIP3 9087 82.107 32.480 45.021 1.00 0.00 WT1 H ATOM 26401 OH2 TIP3 9088 87.367 9.456 57.433 1.00 0.00 WT1 O ATOM 26402 H1 TIP3 9088 86.487 9.509 57.805 1.00 0.00 WT1 H ATOM 26403 H2 TIP3 9088 87.484 8.529 57.225 1.00 0.00 WT1 H ATOM 26404 OH2 TIP3 9089 71.240 33.053 29.551 1.00 0.00 WT1 O ATOM 26405 H1 TIP3 9089 71.658 33.630 30.191 1.00 0.00 WT1 H ATOM 26406 H2 TIP3 9089 71.243 32.191 29.967 1.00 0.00 WT1 H ATOM 26407 OH2 TIP3 9090 90.619 83.345 24.639 1.00 0.00 WT1 O ATOM 26408 H1 TIP3 9090 90.804 84.255 24.869 1.00 0.00 WT1 H ATOM 26409 H2 TIP3 9090 89.762 83.168 25.028 1.00 0.00 WT1 H ATOM 26410 OH2 TIP3 9091 86.759 31.334 43.921 1.00 0.00 WT1 O ATOM 26411 H1 TIP3 9091 86.176 32.092 43.903 1.00 0.00 WT1 H ATOM 26412 H2 TIP3 9091 87.206 31.394 44.765 1.00 0.00 WT1 H ATOM 26413 OH2 TIP3 9092 22.005 45.004 34.506 1.00 0.00 WT1 O ATOM 26414 H1 TIP3 9092 22.840 45.331 34.842 1.00 0.00 WT1 H ATOM 26415 H2 TIP3 9092 21.676 45.712 33.952 1.00 0.00 WT1 H ATOM 26416 OH2 TIP3 9093 51.604 71.520 -13.091 1.00 0.00 WT1 O ATOM 26417 H1 TIP3 9093 51.597 70.568 -12.987 1.00 0.00 WT1 H ATOM 26418 H2 TIP3 9093 50.890 71.699 -13.703 1.00 0.00 WT1 H ATOM 26419 OH2 TIP3 9094 78.638 1.892 -1.750 1.00 0.00 WT1 O ATOM 26420 H1 TIP3 9094 78.482 2.810 -1.973 1.00 0.00 WT1 H ATOM 26421 H2 TIP3 9094 79.541 1.873 -1.432 1.00 0.00 WT1 H ATOM 26422 OH2 TIP3 9095 27.447 60.991 34.680 1.00 0.00 WT1 O ATOM 26423 H1 TIP3 9095 27.914 61.716 35.097 1.00 0.00 WT1 H ATOM 26424 H2 TIP3 9095 28.047 60.677 34.003 1.00 0.00 WT1 H ATOM 26425 OH2 TIP3 9096 62.852 78.444 47.001 1.00 0.00 WT1 O ATOM 26426 H1 TIP3 9096 62.741 77.592 46.579 1.00 0.00 WT1 H ATOM 26427 H2 TIP3 9096 62.005 78.621 47.410 1.00 0.00 WT1 H ATOM 26428 OH2 TIP3 9097 75.122 64.495 21.530 1.00 0.00 WT1 O ATOM 26429 H1 TIP3 9097 74.732 63.952 20.845 1.00 0.00 WT1 H ATOM 26430 H2 TIP3 9097 74.788 64.126 22.348 1.00 0.00 WT1 H ATOM 26431 OH2 TIP3 9098 20.760 69.557 22.841 1.00 0.00 WT1 O ATOM 26432 H1 TIP3 9098 19.868 69.286 23.058 1.00 0.00 WT1 H ATOM 26433 H2 TIP3 9098 21.308 68.826 23.124 1.00 0.00 WT1 H ATOM 26434 OH2 TIP3 9099 43.962 42.624 57.679 1.00 0.00 WT1 O ATOM 26435 H1 TIP3 9099 44.183 43.526 57.449 1.00 0.00 WT1 H ATOM 26436 H2 TIP3 9099 43.707 42.667 58.601 1.00 0.00 WT1 H ATOM 26437 OH2 TIP3 9100 64.670 80.059 0.920 1.00 0.00 WT1 O ATOM 26438 H1 TIP3 9100 64.355 79.273 0.473 1.00 0.00 WT1 H ATOM 26439 H2 TIP3 9100 64.939 80.645 0.213 1.00 0.00 WT1 H ATOM 26440 OH2 TIP3 9101 53.975 22.532 58.068 1.00 0.00 WT1 O ATOM 26441 H1 TIP3 9101 54.506 22.184 58.784 1.00 0.00 WT1 H ATOM 26442 H2 TIP3 9101 54.537 22.463 57.297 1.00 0.00 WT1 H ATOM 26443 OH2 TIP3 9102 87.877 43.166 32.703 1.00 0.00 WT1 O ATOM 26444 H1 TIP3 9102 87.360 42.459 32.317 1.00 0.00 WT1 H ATOM 26445 H2 TIP3 9102 87.311 43.536 33.381 1.00 0.00 WT1 H ATOM 26446 OH2 TIP3 9103 74.444 56.293 21.333 1.00 0.00 WT1 O ATOM 26447 H1 TIP3 9103 73.495 56.386 21.249 1.00 0.00 WT1 H ATOM 26448 H2 TIP3 9103 74.644 56.654 22.197 1.00 0.00 WT1 H ATOM 26449 OH2 TIP3 9104 78.608 34.712 36.402 1.00 0.00 WT1 O ATOM 26450 H1 TIP3 9104 79.184 33.949 36.460 1.00 0.00 WT1 H ATOM 26451 H2 TIP3 9104 77.813 34.449 36.865 1.00 0.00 WT1 H ATOM 26452 OH2 TIP3 9105 41.544 34.124 2.683 1.00 0.00 WT1 O ATOM 26453 H1 TIP3 9105 41.018 34.924 2.690 1.00 0.00 WT1 H ATOM 26454 H2 TIP3 9105 42.206 34.266 3.360 1.00 0.00 WT1 H ATOM 26455 OH2 TIP3 9106 39.039 33.417 10.753 1.00 0.00 WT1 O ATOM 26456 H1 TIP3 9106 38.608 32.790 11.334 1.00 0.00 WT1 H ATOM 26457 H2 TIP3 9106 39.746 33.787 11.282 1.00 0.00 WT1 H ATOM 26458 OH2 TIP3 9107 34.293 78.040 18.897 1.00 0.00 WT1 O ATOM 26459 H1 TIP3 9107 33.841 78.405 19.657 1.00 0.00 WT1 H ATOM 26460 H2 TIP3 9107 34.171 78.694 18.209 1.00 0.00 WT1 H ATOM 26461 OH2 TIP3 9108 60.215 30.013 56.185 1.00 0.00 WT1 O ATOM 26462 H1 TIP3 9108 59.806 29.536 56.908 1.00 0.00 WT1 H ATOM 26463 H2 TIP3 9108 59.843 29.618 55.396 1.00 0.00 WT1 H ATOM 26464 OH2 TIP3 9109 65.754 11.295 24.118 1.00 0.00 WT1 O ATOM 26465 H1 TIP3 9109 66.214 11.231 24.954 1.00 0.00 WT1 H ATOM 26466 H2 TIP3 9109 65.676 12.236 23.959 1.00 0.00 WT1 H ATOM 26467 OH2 TIP3 9110 61.401 60.018 58.114 1.00 0.00 WT1 O ATOM 26468 H1 TIP3 9110 61.387 59.403 57.380 1.00 0.00 WT1 H ATOM 26469 H2 TIP3 9110 60.481 60.235 58.263 1.00 0.00 WT1 H ATOM 26470 OH2 TIP3 9111 76.929 37.014 -19.066 1.00 0.00 WT1 O ATOM 26471 H1 TIP3 9111 76.864 36.097 -18.800 1.00 0.00 WT1 H ATOM 26472 H2 TIP3 9111 76.703 37.011 -19.996 1.00 0.00 WT1 H ATOM 26473 OH2 TIP3 9112 37.268 41.971 9.748 1.00 0.00 WT1 O ATOM 26474 H1 TIP3 9112 36.921 42.856 9.860 1.00 0.00 WT1 H ATOM 26475 H2 TIP3 9112 38.203 42.054 9.937 1.00 0.00 WT1 H ATOM 26476 OH2 TIP3 9113 59.647 83.965 44.975 1.00 0.00 WT1 O ATOM 26477 H1 TIP3 9113 60.537 83.635 45.101 1.00 0.00 WT1 H ATOM 26478 H2 TIP3 9113 59.387 83.632 44.115 1.00 0.00 WT1 H ATOM 26479 OH2 TIP3 9114 88.334 6.352 38.869 1.00 0.00 WT1 O ATOM 26480 H1 TIP3 9114 88.714 6.154 39.725 1.00 0.00 WT1 H ATOM 26481 H2 TIP3 9114 88.638 5.643 38.302 1.00 0.00 WT1 H ATOM 26482 OH2 TIP3 9115 42.808 15.527 44.214 1.00 0.00 WT1 O ATOM 26483 H1 TIP3 9115 42.011 15.122 44.558 1.00 0.00 WT1 H ATOM 26484 H2 TIP3 9115 42.663 16.467 44.318 1.00 0.00 WT1 H ATOM 26485 OH2 TIP3 9116 39.676 3.027 50.291 1.00 0.00 WT1 O ATOM 26486 H1 TIP3 9116 40.527 2.592 50.230 1.00 0.00 WT1 H ATOM 26487 H2 TIP3 9116 39.820 3.754 50.895 1.00 0.00 WT1 H ATOM 26488 OH2 TIP3 9117 38.790 92.061 6.299 1.00 0.00 WT1 O ATOM 26489 H1 TIP3 9117 38.197 91.314 6.215 1.00 0.00 WT1 H ATOM 26490 H2 TIP3 9117 39.658 91.668 6.393 1.00 0.00 WT1 H ATOM 26491 OH2 TIP3 9118 30.461 50.540 38.808 1.00 0.00 WT1 O ATOM 26492 H1 TIP3 9118 31.071 49.816 38.669 1.00 0.00 WT1 H ATOM 26493 H2 TIP3 9118 30.144 50.758 37.932 1.00 0.00 WT1 H ATOM 26494 OH2 TIP3 9119 28.714 37.738 65.193 1.00 0.00 WT1 O ATOM 26495 H1 TIP3 9119 29.125 38.062 64.391 1.00 0.00 WT1 H ATOM 26496 H2 TIP3 9119 29.443 37.417 65.723 1.00 0.00 WT1 H ATOM 26497 OH2 TIP3 9120 46.272 24.612 -1.779 1.00 0.00 WT1 O ATOM 26498 H1 TIP3 9120 46.950 24.231 -2.337 1.00 0.00 WT1 H ATOM 26499 H2 TIP3 9120 45.773 23.860 -1.460 1.00 0.00 WT1 H ATOM 26500 OH2 TIP3 9121 89.723 40.065 -11.052 1.00 0.00 WT1 O ATOM 26501 H1 TIP3 9121 89.983 40.591 -11.808 1.00 0.00 WT1 H ATOM 26502 H2 TIP3 9121 88.816 39.818 -11.231 1.00 0.00 WT1 H ATOM 26503 OH2 TIP3 9122 44.939 8.783 12.494 1.00 0.00 WT1 O ATOM 26504 H1 TIP3 9122 45.166 9.367 13.218 1.00 0.00 WT1 H ATOM 26505 H2 TIP3 9122 44.779 9.369 11.754 1.00 0.00 WT1 H ATOM 26506 OH2 TIP3 9123 89.659 45.993 28.038 1.00 0.00 WT1 O ATOM 26507 H1 TIP3 9123 89.103 45.464 28.609 1.00 0.00 WT1 H ATOM 26508 H2 TIP3 9123 89.066 46.322 27.363 1.00 0.00 WT1 H ATOM 26509 OH2 TIP3 9124 85.878 80.565 48.562 1.00 0.00 WT1 O ATOM 26510 H1 TIP3 9124 85.434 81.367 48.285 1.00 0.00 WT1 H ATOM 26511 H2 TIP3 9124 86.696 80.561 48.064 1.00 0.00 WT1 H ATOM 26512 OH2 TIP3 9125 44.560 56.369 17.073 1.00 0.00 WT1 O ATOM 26513 H1 TIP3 9125 45.232 57.001 17.327 1.00 0.00 WT1 H ATOM 26514 H2 TIP3 9125 45.004 55.522 17.099 1.00 0.00 WT1 H ATOM 26515 OH2 TIP3 9126 78.202 37.001 -3.872 1.00 0.00 WT1 O ATOM 26516 H1 TIP3 9126 78.404 36.673 -4.748 1.00 0.00 WT1 H ATOM 26517 H2 TIP3 9126 78.930 36.700 -3.329 1.00 0.00 WT1 H ATOM 26518 OH2 TIP3 9127 21.700 26.915 -10.504 1.00 0.00 WT1 O ATOM 26519 H1 TIP3 9127 22.069 26.053 -10.698 1.00 0.00 WT1 H ATOM 26520 H2 TIP3 9127 21.505 27.290 -11.363 1.00 0.00 WT1 H ATOM 26521 OH2 TIP3 9128 70.985 40.984 9.732 1.00 0.00 WT1 O ATOM 26522 H1 TIP3 9128 71.473 41.446 10.413 1.00 0.00 WT1 H ATOM 26523 H2 TIP3 9128 70.072 41.031 10.016 1.00 0.00 WT1 H ATOM 26524 OH2 TIP3 9129 70.519 -0.074 19.007 1.00 0.00 WT1 O ATOM 26525 H1 TIP3 9129 71.030 -0.166 18.203 1.00 0.00 WT1 H ATOM 26526 H2 TIP3 9129 70.712 0.813 19.313 1.00 0.00 WT1 H ATOM 26527 OH2 TIP3 9130 28.449 4.368 -7.559 1.00 0.00 WT1 O ATOM 26528 H1 TIP3 9130 27.903 4.114 -8.304 1.00 0.00 WT1 H ATOM 26529 H2 TIP3 9130 28.004 5.128 -7.184 1.00 0.00 WT1 H ATOM 26530 OH2 TIP3 9131 87.801 19.405 59.599 1.00 0.00 WT1 O ATOM 26531 H1 TIP3 9131 88.006 20.235 59.169 1.00 0.00 WT1 H ATOM 26532 H2 TIP3 9131 87.992 19.559 60.524 1.00 0.00 WT1 H ATOM 26533 OH2 TIP3 9132 90.815 38.169 20.869 1.00 0.00 WT1 O ATOM 26534 H1 TIP3 9132 90.455 39.045 21.012 1.00 0.00 WT1 H ATOM 26535 H2 TIP3 9132 90.375 37.620 21.517 1.00 0.00 WT1 H ATOM 26536 OH2 TIP3 9134 21.663 4.800 38.445 1.00 0.00 WT1 O ATOM 26537 H1 TIP3 9134 20.811 4.845 38.010 1.00 0.00 WT1 H ATOM 26538 H2 TIP3 9134 21.588 4.056 39.043 1.00 0.00 WT1 H ATOM 26539 OH2 TIP3 9135 49.752 36.192 42.954 1.00 0.00 WT1 O ATOM 26540 H1 TIP3 9135 48.970 36.639 42.629 1.00 0.00 WT1 H ATOM 26541 H2 TIP3 9135 50.280 36.887 43.347 1.00 0.00 WT1 H ATOM 26542 OH2 TIP3 9136 47.918 23.090 -9.320 1.00 0.00 WT1 O ATOM 26543 H1 TIP3 9136 48.348 22.293 -9.011 1.00 0.00 WT1 H ATOM 26544 H2 TIP3 9136 47.376 22.802 -10.054 1.00 0.00 WT1 H ATOM 26545 OH2 TIP3 9138 33.334 53.052 55.261 1.00 0.00 WT1 O ATOM 26546 H1 TIP3 9138 33.530 52.202 54.869 1.00 0.00 WT1 H ATOM 26547 H2 TIP3 9138 33.951 53.656 54.846 1.00 0.00 WT1 H ATOM 26548 OH2 TIP3 9139 61.056 32.813 56.251 1.00 0.00 WT1 O ATOM 26549 H1 TIP3 9139 60.364 33.466 56.147 1.00 0.00 WT1 H ATOM 26550 H2 TIP3 9139 60.595 32.011 56.496 1.00 0.00 WT1 H ATOM 26551 OH2 TIP3 9140 49.429 39.161 -5.758 1.00 0.00 WT1 O ATOM 26552 H1 TIP3 9140 50.322 39.163 -6.102 1.00 0.00 WT1 H ATOM 26553 H2 TIP3 9140 49.315 40.035 -5.383 1.00 0.00 WT1 H ATOM 26554 OH2 TIP3 9141 89.668 36.431 31.004 1.00 0.00 WT1 O ATOM 26555 H1 TIP3 9141 90.102 36.497 30.153 1.00 0.00 WT1 H ATOM 26556 H2 TIP3 9141 88.803 36.814 30.863 1.00 0.00 WT1 H ATOM 26557 OH2 TIP3 9142 47.325 12.600 52.885 1.00 0.00 WT1 O ATOM 26558 H1 TIP3 9142 48.072 12.019 52.736 1.00 0.00 WT1 H ATOM 26559 H2 TIP3 9142 46.818 12.552 52.076 1.00 0.00 WT1 H ATOM 26560 OH2 TIP3 9144 54.753 59.153 63.433 1.00 0.00 WT1 O ATOM 26561 H1 TIP3 9144 54.203 58.659 62.825 1.00 0.00 WT1 H ATOM 26562 H2 TIP3 9144 54.739 58.640 64.240 1.00 0.00 WT1 H ATOM 26563 OH2 TIP3 9145 65.435 21.080 43.412 1.00 0.00 WT1 O ATOM 26564 H1 TIP3 9145 66.042 20.513 42.937 1.00 0.00 WT1 H ATOM 26565 H2 TIP3 9145 65.873 21.930 43.443 1.00 0.00 WT1 H ATOM 26566 OH2 TIP3 9146 66.170 39.997 -10.158 1.00 0.00 WT1 O ATOM 26567 H1 TIP3 9146 66.422 39.816 -11.063 1.00 0.00 WT1 H ATOM 26568 H2 TIP3 9146 65.674 39.224 -9.887 1.00 0.00 WT1 H ATOM 26569 OH2 TIP3 9147 41.960 75.542 32.433 1.00 0.00 WT1 O ATOM 26570 H1 TIP3 9147 41.694 76.110 33.156 1.00 0.00 WT1 H ATOM 26571 H2 TIP3 9147 41.571 74.693 32.639 1.00 0.00 WT1 H ATOM 26572 OH2 TIP3 9148 74.834 64.526 31.864 1.00 0.00 WT1 O ATOM 26573 H1 TIP3 9148 74.525 63.767 32.359 1.00 0.00 WT1 H ATOM 26574 H2 TIP3 9148 74.043 65.038 31.693 1.00 0.00 WT1 H ATOM 26575 OH2 TIP3 9149 31.897 9.086 50.043 1.00 0.00 WT1 O ATOM 26576 H1 TIP3 9149 31.220 8.442 50.248 1.00 0.00 WT1 H ATOM 26577 H2 TIP3 9149 32.684 8.752 50.474 1.00 0.00 WT1 H ATOM 26578 OH2 TIP3 9150 49.318 80.653 42.518 1.00 0.00 WT1 O ATOM 26579 H1 TIP3 9150 49.851 79.995 42.964 1.00 0.00 WT1 H ATOM 26580 H2 TIP3 9150 48.418 80.344 42.621 1.00 0.00 WT1 H ATOM 26581 OH2 TIP3 9152 21.072 35.271 38.473 1.00 0.00 WT1 O ATOM 26582 H1 TIP3 9152 20.782 35.631 39.311 1.00 0.00 WT1 H ATOM 26583 H2 TIP3 9152 20.454 35.624 37.833 1.00 0.00 WT1 H ATOM 26584 OH2 TIP3 9153 73.056 52.163 15.402 1.00 0.00 WT1 O ATOM 26585 H1 TIP3 9153 72.450 51.473 15.671 1.00 0.00 WT1 H ATOM 26586 H2 TIP3 9153 73.161 52.036 14.459 1.00 0.00 WT1 H ATOM 26587 OH2 TIP3 9154 87.298 20.281 35.764 1.00 0.00 WT1 O ATOM 26588 H1 TIP3 9154 88.225 20.409 35.965 1.00 0.00 WT1 H ATOM 26589 H2 TIP3 9154 87.154 20.788 34.965 1.00 0.00 WT1 H ATOM 26590 OH2 TIP3 9155 73.790 42.152 22.630 1.00 0.00 WT1 O ATOM 26591 H1 TIP3 9155 74.144 42.880 22.118 1.00 0.00 WT1 H ATOM 26592 H2 TIP3 9155 72.955 41.947 22.209 1.00 0.00 WT1 H ATOM 26593 OH2 TIP3 9156 52.909 94.253 -3.119 1.00 0.00 WT1 O ATOM 26594 H1 TIP3 9156 52.563 93.363 -3.062 1.00 0.00 WT1 H ATOM 26595 H2 TIP3 9156 53.050 94.397 -4.054 1.00 0.00 WT1 H ATOM 26596 OH2 TIP3 9157 88.365 30.952 14.766 1.00 0.00 WT1 O ATOM 26597 H1 TIP3 9157 89.138 30.944 14.203 1.00 0.00 WT1 H ATOM 26598 H2 TIP3 9157 87.627 31.030 14.161 1.00 0.00 WT1 H ATOM 26599 OH2 TIP3 9158 20.182 74.158 60.996 1.00 0.00 WT1 O ATOM 26600 H1 TIP3 9158 20.989 74.669 61.056 1.00 0.00 WT1 H ATOM 26601 H2 TIP3 9158 20.237 73.536 61.721 1.00 0.00 WT1 H ATOM 26602 OH2 TIP3 9159 68.906 67.188 45.707 1.00 0.00 WT1 O ATOM 26603 H1 TIP3 9159 68.872 68.126 45.518 1.00 0.00 WT1 H ATOM 26604 H2 TIP3 9159 68.669 66.768 44.880 1.00 0.00 WT1 H ATOM 26605 OH2 TIP3 9160 51.902 42.192 11.258 1.00 0.00 WT1 O ATOM 26606 H1 TIP3 9160 51.412 41.392 11.446 1.00 0.00 WT1 H ATOM 26607 H2 TIP3 9160 51.470 42.867 11.781 1.00 0.00 WT1 H ATOM 26608 OH2 TIP3 9161 22.125 44.031 50.386 1.00 0.00 WT1 O ATOM 26609 H1 TIP3 9161 22.333 43.254 49.866 1.00 0.00 WT1 H ATOM 26610 H2 TIP3 9161 21.172 44.108 50.332 1.00 0.00 WT1 H ATOM 26611 OH2 TIP3 9162 66.863 28.737 41.459 1.00 0.00 WT1 O ATOM 26612 H1 TIP3 9162 67.232 28.183 42.146 1.00 0.00 WT1 H ATOM 26613 H2 TIP3 9162 66.260 29.321 41.920 1.00 0.00 WT1 H ATOM 26614 OH2 TIP3 9163 34.079 22.995 62.201 1.00 0.00 WT1 O ATOM 26615 H1 TIP3 9163 34.862 23.153 62.728 1.00 0.00 WT1 H ATOM 26616 H2 TIP3 9163 33.486 23.710 62.431 1.00 0.00 WT1 H ATOM 26617 OH2 TIP3 9164 25.894 75.263 37.635 1.00 0.00 WT1 O ATOM 26618 H1 TIP3 9164 26.273 74.645 38.259 1.00 0.00 WT1 H ATOM 26619 H2 TIP3 9164 25.917 76.106 38.088 1.00 0.00 WT1 H ATOM 26620 OH2 TIP3 9165 36.508 51.511 39.215 1.00 0.00 WT1 O ATOM 26621 H1 TIP3 9165 36.275 51.862 38.355 1.00 0.00 WT1 H ATOM 26622 H2 TIP3 9165 37.284 52.008 39.475 1.00 0.00 WT1 H ATOM 26623 OH2 TIP3 9166 74.417 91.552 16.311 1.00 0.00 WT1 O ATOM 26624 H1 TIP3 9166 74.436 91.768 17.243 1.00 0.00 WT1 H ATOM 26625 H2 TIP3 9166 73.490 91.591 16.075 1.00 0.00 WT1 H ATOM 26626 OH2 TIP3 9167 80.661 6.436 48.651 1.00 0.00 WT1 O ATOM 26627 H1 TIP3 9167 79.775 6.514 48.298 1.00 0.00 WT1 H ATOM 26628 H2 TIP3 9167 80.895 5.519 48.512 1.00 0.00 WT1 H ATOM 26629 OH2 TIP3 9168 26.795 40.208 39.168 1.00 0.00 WT1 O ATOM 26630 H1 TIP3 9168 26.721 41.157 39.067 1.00 0.00 WT1 H ATOM 26631 H2 TIP3 9168 25.977 39.947 39.592 1.00 0.00 WT1 H ATOM 26632 OH2 TIP3 9169 64.827 38.461 20.168 1.00 0.00 WT1 O ATOM 26633 H1 TIP3 9169 65.692 38.362 19.770 1.00 0.00 WT1 H ATOM 26634 H2 TIP3 9169 64.279 37.821 19.713 1.00 0.00 WT1 H ATOM 26635 OH2 TIP3 9170 87.750 18.380 -10.807 1.00 0.00 WT1 O ATOM 26636 H1 TIP3 9170 87.677 17.469 -10.521 1.00 0.00 WT1 H ATOM 26637 H2 TIP3 9170 88.346 18.782 -10.175 1.00 0.00 WT1 H ATOM 26638 OH2 TIP3 9171 59.629 87.010 16.099 1.00 0.00 WT1 O ATOM 26639 H1 TIP3 9171 60.097 86.416 16.685 1.00 0.00 WT1 H ATOM 26640 H2 TIP3 9171 59.407 86.472 15.339 1.00 0.00 WT1 H ATOM 26641 OH2 TIP3 9172 43.688 79.049 30.507 1.00 0.00 WT1 O ATOM 26642 H1 TIP3 9172 43.570 79.998 30.476 1.00 0.00 WT1 H ATOM 26643 H2 TIP3 9172 42.842 78.693 30.233 1.00 0.00 WT1 H ATOM 26644 OH2 TIP3 9173 48.747 40.128 43.652 1.00 0.00 WT1 O ATOM 26645 H1 TIP3 9173 48.064 39.988 44.308 1.00 0.00 WT1 H ATOM 26646 H2 TIP3 9173 48.369 39.798 42.837 1.00 0.00 WT1 H ATOM 26647 OH2 TIP3 9174 33.996 72.353 40.600 1.00 0.00 WT1 O ATOM 26648 H1 TIP3 9174 34.010 71.397 40.630 1.00 0.00 WT1 H ATOM 26649 H2 TIP3 9174 34.079 72.566 39.670 1.00 0.00 WT1 H ATOM 26650 OH2 TIP3 9175 70.024 22.940 51.618 1.00 0.00 WT1 O ATOM 26651 H1 TIP3 9175 69.686 22.045 51.643 1.00 0.00 WT1 H ATOM 26652 H2 TIP3 9175 70.515 23.034 52.434 1.00 0.00 WT1 H ATOM 26653 OH2 TIP3 9176 31.880 48.789 33.038 1.00 0.00 WT1 O ATOM 26654 H1 TIP3 9176 31.063 48.393 32.736 1.00 0.00 WT1 H ATOM 26655 H2 TIP3 9176 32.378 48.060 33.408 1.00 0.00 WT1 H ATOM 26656 OH2 TIP3 9177 32.916 86.901 -3.951 1.00 0.00 WT1 O ATOM 26657 H1 TIP3 9177 32.029 86.796 -4.295 1.00 0.00 WT1 H ATOM 26658 H2 TIP3 9177 32.877 86.530 -3.070 1.00 0.00 WT1 H ATOM 26659 OH2 TIP3 9178 69.156 49.354 -12.870 1.00 0.00 WT1 O ATOM 26660 H1 TIP3 9178 69.343 48.415 -12.885 1.00 0.00 WT1 H ATOM 26661 H2 TIP3 9178 68.656 49.486 -12.064 1.00 0.00 WT1 H ATOM 26662 OH2 TIP3 9179 29.788 35.650 -17.659 1.00 0.00 WT1 O ATOM 26663 H1 TIP3 9179 29.815 36.222 -18.425 1.00 0.00 WT1 H ATOM 26664 H2 TIP3 9179 30.669 35.279 -17.605 1.00 0.00 WT1 H ATOM 26665 OH2 TIP3 9180 37.157 80.699 6.048 1.00 0.00 WT1 O ATOM 26666 H1 TIP3 9180 37.344 80.672 5.110 1.00 0.00 WT1 H ATOM 26667 H2 TIP3 9180 36.342 81.197 6.116 1.00 0.00 WT1 H ATOM 26668 OH2 TIP3 9181 57.329 45.656 -13.639 1.00 0.00 WT1 O ATOM 26669 H1 TIP3 9181 57.837 44.951 -13.237 1.00 0.00 WT1 H ATOM 26670 H2 TIP3 9181 57.866 45.948 -14.376 1.00 0.00 WT1 H ATOM 26671 OH2 TIP3 9182 61.497 16.334 43.291 1.00 0.00 WT1 O ATOM 26672 H1 TIP3 9182 60.665 16.118 43.711 1.00 0.00 WT1 H ATOM 26673 H2 TIP3 9182 61.249 16.750 42.465 1.00 0.00 WT1 H ATOM 26674 OH2 TIP3 9183 88.057 71.298 2.322 1.00 0.00 WT1 O ATOM 26675 H1 TIP3 9183 88.506 70.453 2.282 1.00 0.00 WT1 H ATOM 26676 H2 TIP3 9183 88.652 71.907 1.885 1.00 0.00 WT1 H ATOM 26677 OH2 TIP3 9184 48.551 20.709 52.468 1.00 0.00 WT1 O ATOM 26678 H1 TIP3 9184 47.849 20.735 53.117 1.00 0.00 WT1 H ATOM 26679 H2 TIP3 9184 48.099 20.653 51.626 1.00 0.00 WT1 H ATOM 26680 OH2 TIP3 9185 32.724 60.809 -4.956 1.00 0.00 WT1 O ATOM 26681 H1 TIP3 9185 32.371 61.273 -5.715 1.00 0.00 WT1 H ATOM 26682 H2 TIP3 9185 33.099 61.498 -4.407 1.00 0.00 WT1 H ATOM 26683 OH2 TIP3 9186 78.497 74.076 13.035 1.00 0.00 WT1 O ATOM 26684 H1 TIP3 9186 78.122 74.950 13.148 1.00 0.00 WT1 H ATOM 26685 H2 TIP3 9186 77.834 73.483 13.387 1.00 0.00 WT1 H ATOM 26686 OH2 TIP3 9187 31.429 47.210 59.263 1.00 0.00 WT1 O ATOM 26687 H1 TIP3 9187 31.056 47.007 60.120 1.00 0.00 WT1 H ATOM 26688 H2 TIP3 9187 31.048 48.057 59.029 1.00 0.00 WT1 H ATOM 26689 OH2 TIP3 9188 20.809 44.993 19.272 1.00 0.00 WT1 O ATOM 26690 H1 TIP3 9188 21.524 44.643 18.741 1.00 0.00 WT1 H ATOM 26691 H2 TIP3 9188 20.623 45.850 18.888 1.00 0.00 WT1 H ATOM 26692 OH2 TIP3 9189 36.482 49.405 13.613 1.00 0.00 WT1 O ATOM 26693 H1 TIP3 9189 36.124 48.794 14.256 1.00 0.00 WT1 H ATOM 26694 H2 TIP3 9189 37.427 49.249 13.634 1.00 0.00 WT1 H ATOM 26695 OH2 TIP3 9190 77.763 37.207 58.131 1.00 0.00 WT1 O ATOM 26696 H1 TIP3 9190 77.452 37.686 57.363 1.00 0.00 WT1 H ATOM 26697 H2 TIP3 9190 78.024 36.351 57.791 1.00 0.00 WT1 H ATOM 26698 OH2 TIP3 9191 67.261 60.765 45.257 1.00 0.00 WT1 O ATOM 26699 H1 TIP3 9191 66.985 60.354 44.438 1.00 0.00 WT1 H ATOM 26700 H2 TIP3 9191 67.239 61.704 45.074 1.00 0.00 WT1 H ATOM 26701 OH2 TIP3 9192 43.769 54.197 31.373 1.00 0.00 WT1 O ATOM 26702 H1 TIP3 9192 43.852 54.925 31.988 1.00 0.00 WT1 H ATOM 26703 H2 TIP3 9192 44.446 54.359 30.716 1.00 0.00 WT1 H ATOM 26704 OH2 TIP3 9193 82.001 66.340 12.594 1.00 0.00 WT1 O ATOM 26705 H1 TIP3 9193 82.074 65.452 12.243 1.00 0.00 WT1 H ATOM 26706 H2 TIP3 9193 81.678 66.219 13.487 1.00 0.00 WT1 H ATOM 26707 OH2 TIP3 9194 89.609 90.716 14.272 1.00 0.00 WT1 O ATOM 26708 H1 TIP3 9194 90.030 90.238 14.987 1.00 0.00 WT1 H ATOM 26709 H2 TIP3 9194 88.812 91.075 14.661 1.00 0.00 WT1 H ATOM 26710 OH2 TIP3 9195 34.626 84.029 4.900 1.00 0.00 WT1 O ATOM 26711 H1 TIP3 9195 34.743 84.058 3.950 1.00 0.00 WT1 H ATOM 26712 H2 TIP3 9195 34.455 83.107 5.092 1.00 0.00 WT1 H ATOM 26713 OH2 TIP3 9196 71.137 58.056 14.396 1.00 0.00 WT1 O ATOM 26714 H1 TIP3 9196 70.302 58.509 14.280 1.00 0.00 WT1 H ATOM 26715 H2 TIP3 9196 71.279 58.052 15.343 1.00 0.00 WT1 H ATOM 26716 OH2 TIP3 9197 25.085 60.036 47.669 1.00 0.00 WT1 O ATOM 26717 H1 TIP3 9197 25.247 60.974 47.563 1.00 0.00 WT1 H ATOM 26718 H2 TIP3 9197 24.368 59.987 48.300 1.00 0.00 WT1 H ATOM 26719 OH2 TIP3 9198 26.443 79.392 20.945 1.00 0.00 WT1 O ATOM 26720 H1 TIP3 9198 26.498 78.477 21.221 1.00 0.00 WT1 H ATOM 26721 H2 TIP3 9198 26.115 79.857 21.714 1.00 0.00 WT1 H ATOM 26722 OH2 TIP3 9199 39.331 51.463 36.757 1.00 0.00 WT1 O ATOM 26723 H1 TIP3 9199 38.614 52.094 36.833 1.00 0.00 WT1 H ATOM 26724 H2 TIP3 9199 39.834 51.762 36.000 1.00 0.00 WT1 H ATOM 26725 OH2 TIP3 9200 28.490 25.207 47.219 1.00 0.00 WT1 O ATOM 26726 H1 TIP3 9200 27.539 25.122 47.153 1.00 0.00 WT1 H ATOM 26727 H2 TIP3 9200 28.809 25.035 46.334 1.00 0.00 WT1 H ATOM 26728 OH2 TIP3 9201 28.972 80.724 1.209 1.00 0.00 WT1 O ATOM 26729 H1 TIP3 9201 29.222 81.426 1.809 1.00 0.00 WT1 H ATOM 26730 H2 TIP3 9201 28.030 80.840 1.083 1.00 0.00 WT1 H ATOM 26731 OH2 TIP3 9202 64.984 86.501 18.928 1.00 0.00 WT1 O ATOM 26732 H1 TIP3 9202 64.082 86.478 19.248 1.00 0.00 WT1 H ATOM 26733 H2 TIP3 9202 65.462 86.997 19.594 1.00 0.00 WT1 H ATOM 26734 OH2 TIP3 9203 46.782 55.522 53.041 1.00 0.00 WT1 O ATOM 26735 H1 TIP3 9203 46.366 54.678 52.863 1.00 0.00 WT1 H ATOM 26736 H2 TIP3 9203 46.080 56.163 52.930 1.00 0.00 WT1 H ATOM 26737 OH2 TIP3 9204 63.974 39.912 1.703 1.00 0.00 WT1 O ATOM 26738 H1 TIP3 9204 63.682 39.565 2.546 1.00 0.00 WT1 H ATOM 26739 H2 TIP3 9204 63.377 40.638 1.523 1.00 0.00 WT1 H ATOM 26740 OH2 TIP3 9205 40.577 66.888 67.242 1.00 0.00 WT1 O ATOM 26741 H1 TIP3 9205 41.476 66.575 67.144 1.00 0.00 WT1 H ATOM 26742 H2 TIP3 9205 40.133 66.598 66.445 1.00 0.00 WT1 H ATOM 26743 OH2 TIP3 9206 35.240 58.141 1.185 1.00 0.00 WT1 O ATOM 26744 H1 TIP3 9206 35.521 58.962 1.588 1.00 0.00 WT1 H ATOM 26745 H2 TIP3 9206 35.755 57.467 1.630 1.00 0.00 WT1 H ATOM 26746 OH2 TIP3 9207 78.233 6.866 47.597 1.00 0.00 WT1 O ATOM 26747 H1 TIP3 9207 77.849 7.648 47.202 1.00 0.00 WT1 H ATOM 26748 H2 TIP3 9207 77.872 6.139 47.090 1.00 0.00 WT1 H ATOM 26749 OH2 TIP3 9208 59.266 48.560 14.697 1.00 0.00 WT1 O ATOM 26750 H1 TIP3 9208 59.800 49.315 14.945 1.00 0.00 WT1 H ATOM 26751 H2 TIP3 9208 58.736 48.375 15.472 1.00 0.00 WT1 H ATOM 26752 OH2 TIP3 9209 47.237 27.892 -17.547 1.00 0.00 WT1 O ATOM 26753 H1 TIP3 9209 48.001 27.323 -17.644 1.00 0.00 WT1 H ATOM 26754 H2 TIP3 9209 46.836 27.617 -16.722 1.00 0.00 WT1 H ATOM 26755 OH2 TIP3 9210 23.762 1.115 62.544 1.00 0.00 WT1 O ATOM 26756 H1 TIP3 9210 24.620 1.138 62.966 1.00 0.00 WT1 H ATOM 26757 H2 TIP3 9210 23.295 1.867 62.909 1.00 0.00 WT1 H ATOM 26758 OH2 TIP3 9211 26.587 77.458 -14.865 1.00 0.00 WT1 O ATOM 26759 H1 TIP3 9211 27.120 76.712 -14.590 1.00 0.00 WT1 H ATOM 26760 H2 TIP3 9211 26.108 77.141 -15.631 1.00 0.00 WT1 H ATOM 26761 OH2 TIP3 9212 43.047 20.031 27.675 1.00 0.00 WT1 O ATOM 26762 H1 TIP3 9212 42.510 20.194 26.899 1.00 0.00 WT1 H ATOM 26763 H2 TIP3 9212 42.972 19.089 27.824 1.00 0.00 WT1 H ATOM 26764 OH2 TIP3 9213 47.985 29.348 29.275 1.00 0.00 WT1 O ATOM 26765 H1 TIP3 9213 47.912 29.694 28.385 1.00 0.00 WT1 H ATOM 26766 H2 TIP3 9213 47.092 29.378 29.618 1.00 0.00 WT1 H ATOM 26767 OH2 TIP3 9214 25.993 57.306 54.041 1.00 0.00 WT1 O ATOM 26768 H1 TIP3 9214 25.882 58.067 53.471 1.00 0.00 WT1 H ATOM 26769 H2 TIP3 9214 25.680 57.598 54.897 1.00 0.00 WT1 H ATOM 26770 OH2 TIP3 9215 84.747 55.517 -10.467 1.00 0.00 WT1 O ATOM 26771 H1 TIP3 9215 85.443 54.929 -10.172 1.00 0.00 WT1 H ATOM 26772 H2 TIP3 9215 84.164 54.960 -10.981 1.00 0.00 WT1 H ATOM 26773 OH2 TIP3 9216 56.786 58.854 24.028 1.00 0.00 WT1 O ATOM 26774 H1 TIP3 9216 56.290 58.152 23.606 1.00 0.00 WT1 H ATOM 26775 H2 TIP3 9216 56.596 58.754 24.961 1.00 0.00 WT1 H ATOM 26776 OH2 TIP3 9217 28.814 57.792 55.063 1.00 0.00 WT1 O ATOM 26777 H1 TIP3 9217 28.910 58.744 55.078 1.00 0.00 WT1 H ATOM 26778 H2 TIP3 9217 28.039 57.637 54.523 1.00 0.00 WT1 H ATOM 26779 OH2 TIP3 9218 82.894 54.389 2.149 1.00 0.00 WT1 O ATOM 26780 H1 TIP3 9218 81.962 54.456 2.357 1.00 0.00 WT1 H ATOM 26781 H2 TIP3 9218 83.267 55.217 2.450 1.00 0.00 WT1 H ATOM 26782 OH2 TIP3 9219 29.389 74.449 3.626 1.00 0.00 WT1 O ATOM 26783 H1 TIP3 9219 29.723 73.796 3.012 1.00 0.00 WT1 H ATOM 26784 H2 TIP3 9219 29.939 75.219 3.480 1.00 0.00 WT1 H ATOM 26785 OH2 TIP3 9220 88.353 89.036 -5.835 1.00 0.00 WT1 O ATOM 26786 H1 TIP3 9220 87.872 88.664 -5.096 1.00 0.00 WT1 H ATOM 26787 H2 TIP3 9220 88.202 88.423 -6.554 1.00 0.00 WT1 H ATOM 26788 OH2 TIP3 9222 80.770 71.030 -7.726 1.00 0.00 WT1 O ATOM 26789 H1 TIP3 9222 80.353 71.202 -6.882 1.00 0.00 WT1 H ATOM 26790 H2 TIP3 9222 81.557 70.530 -7.508 1.00 0.00 WT1 H ATOM 26791 OH2 TIP3 9223 51.864 23.499 -17.718 1.00 0.00 WT1 O ATOM 26792 H1 TIP3 9223 52.277 23.717 -16.882 1.00 0.00 WT1 H ATOM 26793 H2 TIP3 9223 51.839 24.328 -18.196 1.00 0.00 WT1 H ATOM 26794 OH2 TIP3 9224 81.870 22.145 47.742 1.00 0.00 WT1 O ATOM 26795 H1 TIP3 9224 81.824 21.921 48.672 1.00 0.00 WT1 H ATOM 26796 H2 TIP3 9224 82.111 23.071 47.730 1.00 0.00 WT1 H ATOM 26797 OH2 TIP3 9225 58.344 83.106 42.670 1.00 0.00 WT1 O ATOM 26798 H1 TIP3 9225 57.616 82.556 42.383 1.00 0.00 WT1 H ATOM 26799 H2 TIP3 9225 59.022 82.973 42.007 1.00 0.00 WT1 H ATOM 26800 OH2 TIP3 9226 79.746 80.697 -15.683 1.00 0.00 WT1 O ATOM 26801 H1 TIP3 9226 80.124 80.468 -14.834 1.00 0.00 WT1 H ATOM 26802 H2 TIP3 9226 79.329 81.547 -15.539 1.00 0.00 WT1 H ATOM 26803 OH2 TIP3 9227 20.784 70.516 59.674 1.00 0.00 WT1 O ATOM 26804 H1 TIP3 9227 20.753 69.576 59.855 1.00 0.00 WT1 H ATOM 26805 H2 TIP3 9227 21.439 70.856 60.282 1.00 0.00 WT1 H ATOM 26806 OH2 TIP3 9228 42.811 61.764 -2.963 1.00 0.00 WT1 O ATOM 26807 H1 TIP3 9228 42.322 61.327 -2.265 1.00 0.00 WT1 H ATOM 26808 H2 TIP3 9228 43.720 61.750 -2.663 1.00 0.00 WT1 H ATOM 26809 OH2 TIP3 9229 55.131 66.626 21.315 1.00 0.00 WT1 O ATOM 26810 H1 TIP3 9229 55.067 66.920 20.406 1.00 0.00 WT1 H ATOM 26811 H2 TIP3 9229 55.291 65.685 21.252 1.00 0.00 WT1 H ATOM 26812 OH2 TIP3 9230 87.863 38.577 17.006 1.00 0.00 WT1 O ATOM 26813 H1 TIP3 9230 87.984 39.207 16.296 1.00 0.00 WT1 H ATOM 26814 H2 TIP3 9230 88.016 37.724 16.598 1.00 0.00 WT1 H ATOM 26815 OH2 TIP3 9231 38.286 20.879 57.257 1.00 0.00 WT1 O ATOM 26816 H1 TIP3 9231 39.070 20.344 57.138 1.00 0.00 WT1 H ATOM 26817 H2 TIP3 9231 38.381 21.589 56.622 1.00 0.00 WT1 H ATOM 26818 OH2 TIP3 9232 45.362 38.419 15.368 1.00 0.00 WT1 O ATOM 26819 H1 TIP3 9232 45.760 39.279 15.234 1.00 0.00 WT1 H ATOM 26820 H2 TIP3 9232 44.796 38.533 16.132 1.00 0.00 WT1 H ATOM 26821 OH2 TIP3 9233 73.193 45.678 33.187 1.00 0.00 WT1 O ATOM 26822 H1 TIP3 9233 72.611 45.843 33.929 1.00 0.00 WT1 H ATOM 26823 H2 TIP3 9233 72.900 46.291 32.512 1.00 0.00 WT1 H ATOM 26824 OH2 TIP3 9234 44.724 2.542 50.466 1.00 0.00 WT1 O ATOM 26825 H1 TIP3 9234 45.500 3.099 50.402 1.00 0.00 WT1 H ATOM 26826 H2 TIP3 9234 45.064 1.649 50.416 1.00 0.00 WT1 H ATOM 26827 OH2 TIP3 9235 74.140 82.917 28.224 1.00 0.00 WT1 O ATOM 26828 H1 TIP3 9235 73.830 82.910 27.318 1.00 0.00 WT1 H ATOM 26829 H2 TIP3 9235 73.570 82.296 28.678 1.00 0.00 WT1 H ATOM 26830 OH2 TIP3 9236 35.109 59.681 -5.144 1.00 0.00 WT1 O ATOM 26831 H1 TIP3 9236 35.504 60.242 -4.477 1.00 0.00 WT1 H ATOM 26832 H2 TIP3 9236 34.181 59.918 -5.138 1.00 0.00 WT1 H ATOM 26833 OH2 TIP3 9237 34.216 37.766 33.472 1.00 0.00 WT1 O ATOM 26834 H1 TIP3 9237 34.412 38.699 33.545 1.00 0.00 WT1 H ATOM 26835 H2 TIP3 9237 33.386 37.732 32.995 1.00 0.00 WT1 H ATOM 26836 OH2 TIP3 9238 87.328 57.622 39.573 1.00 0.00 WT1 O ATOM 26837 H1 TIP3 9238 87.121 58.435 40.033 1.00 0.00 WT1 H ATOM 26838 H2 TIP3 9238 86.491 57.332 39.210 1.00 0.00 WT1 H ATOM 26839 OH2 TIP3 9239 27.965 5.453 36.465 1.00 0.00 WT1 O ATOM 26840 H1 TIP3 9239 28.355 5.744 35.641 1.00 0.00 WT1 H ATOM 26841 H2 TIP3 9239 28.686 5.479 37.094 1.00 0.00 WT1 H ATOM 26842 OH2 TIP3 9240 66.695 50.976 55.602 1.00 0.00 WT1 O ATOM 26843 H1 TIP3 9240 66.082 51.381 54.988 1.00 0.00 WT1 H ATOM 26844 H2 TIP3 9240 67.381 51.632 55.724 1.00 0.00 WT1 H ATOM 26845 OH2 TIP3 9241 82.940 13.260 61.646 1.00 0.00 WT1 O ATOM 26846 H1 TIP3 9241 82.478 13.252 62.484 1.00 0.00 WT1 H ATOM 26847 H2 TIP3 9241 83.672 12.655 61.770 1.00 0.00 WT1 H ATOM 26848 OH2 TIP3 9243 57.136 25.491 17.179 1.00 0.00 WT1 O ATOM 26849 H1 TIP3 9243 56.844 26.307 17.586 1.00 0.00 WT1 H ATOM 26850 H2 TIP3 9243 56.337 25.097 16.831 1.00 0.00 WT1 H ATOM 26851 OH2 TIP3 9244 76.075 87.924 21.542 1.00 0.00 WT1 O ATOM 26852 H1 TIP3 9244 75.307 87.366 21.661 1.00 0.00 WT1 H ATOM 26853 H2 TIP3 9244 76.815 87.374 21.799 1.00 0.00 WT1 H ATOM 26854 OH2 TIP3 9245 57.063 80.348 56.989 1.00 0.00 WT1 O ATOM 26855 H1 TIP3 9245 56.575 79.862 57.654 1.00 0.00 WT1 H ATOM 26856 H2 TIP3 9245 56.607 80.157 56.169 1.00 0.00 WT1 H ATOM 26857 OH2 TIP3 9246 21.616 43.955 -15.375 1.00 0.00 WT1 O ATOM 26858 H1 TIP3 9246 22.022 43.362 -16.008 1.00 0.00 WT1 H ATOM 26859 H2 TIP3 9246 21.525 44.783 -15.846 1.00 0.00 WT1 H ATOM 26860 OH2 TIP3 9247 56.849 44.785 2.963 1.00 0.00 WT1 O ATOM 26861 H1 TIP3 9247 55.973 44.952 3.310 1.00 0.00 WT1 H ATOM 26862 H2 TIP3 9247 56.940 43.833 2.986 1.00 0.00 WT1 H ATOM 26863 OH2 TIP3 9248 51.562 70.698 -1.795 1.00 0.00 WT1 O ATOM 26864 H1 TIP3 9248 52.478 70.548 -2.026 1.00 0.00 WT1 H ATOM 26865 H2 TIP3 9248 51.549 70.679 -0.839 1.00 0.00 WT1 H ATOM 26866 OH2 TIP3 9249 76.412 72.758 48.478 1.00 0.00 WT1 O ATOM 26867 H1 TIP3 9249 75.633 73.157 48.864 1.00 0.00 WT1 H ATOM 26868 H2 TIP3 9249 76.169 72.588 47.568 1.00 0.00 WT1 H ATOM 26869 OH2 TIP3 9250 22.582 61.249 4.377 1.00 0.00 WT1 O ATOM 26870 H1 TIP3 9250 22.990 60.413 4.150 1.00 0.00 WT1 H ATOM 26871 H2 TIP3 9250 23.157 61.624 5.044 1.00 0.00 WT1 H ATOM 26872 OH2 TIP3 9251 23.388 57.096 66.615 1.00 0.00 WT1 O ATOM 26873 H1 TIP3 9251 23.288 57.664 67.379 1.00 0.00 WT1 H ATOM 26874 H2 TIP3 9251 22.887 57.531 65.926 1.00 0.00 WT1 H ATOM 26875 OH2 TIP3 9252 25.203 26.996 30.354 1.00 0.00 WT1 O ATOM 26876 H1 TIP3 9252 25.599 27.102 29.489 1.00 0.00 WT1 H ATOM 26877 H2 TIP3 9252 25.734 26.324 30.781 1.00 0.00 WT1 H ATOM 26878 OH2 TIP3 9253 78.530 76.202 18.708 1.00 0.00 WT1 O ATOM 26879 H1 TIP3 9253 77.616 76.024 18.488 1.00 0.00 WT1 H ATOM 26880 H2 TIP3 9253 78.837 75.399 19.128 1.00 0.00 WT1 H ATOM 26881 OH2 TIP3 9254 45.724 29.694 30.852 1.00 0.00 WT1 O ATOM 26882 H1 TIP3 9254 45.833 29.901 31.781 1.00 0.00 WT1 H ATOM 26883 H2 TIP3 9254 45.815 28.743 30.806 1.00 0.00 WT1 H ATOM 26884 OH2 TIP3 9255 50.820 21.609 -13.719 1.00 0.00 WT1 O ATOM 26885 H1 TIP3 9255 51.335 22.233 -13.208 1.00 0.00 WT1 H ATOM 26886 H2 TIP3 9255 51.471 21.084 -14.184 1.00 0.00 WT1 H ATOM 26887 OH2 TIP3 9256 78.670 63.216 12.333 1.00 0.00 WT1 O ATOM 26888 H1 TIP3 9256 77.797 62.912 12.580 1.00 0.00 WT1 H ATOM 26889 H2 TIP3 9256 78.533 64.109 12.018 1.00 0.00 WT1 H ATOM 26890 OH2 TIP3 9257 50.506 95.881 4.840 1.00 0.00 WT1 O ATOM 26891 H1 TIP3 9257 50.944 95.245 5.405 1.00 0.00 WT1 H ATOM 26892 H2 TIP3 9257 49.639 95.508 4.686 1.00 0.00 WT1 H ATOM 26893 OH2 TIP3 9258 50.379 17.942 53.081 1.00 0.00 WT1 O ATOM 26894 H1 TIP3 9258 50.924 17.221 53.396 1.00 0.00 WT1 H ATOM 26895 H2 TIP3 9258 50.428 17.880 52.127 1.00 0.00 WT1 H ATOM 26896 OH2 TIP3 9259 75.273 39.975 2.037 1.00 0.00 WT1 O ATOM 26897 H1 TIP3 9259 74.537 40.287 1.510 1.00 0.00 WT1 H ATOM 26898 H2 TIP3 9259 75.107 39.039 2.151 1.00 0.00 WT1 H ATOM 26899 OH2 TIP3 9260 52.252 15.891 24.571 1.00 0.00 WT1 O ATOM 26900 H1 TIP3 9260 51.848 16.162 23.746 1.00 0.00 WT1 H ATOM 26901 H2 TIP3 9260 52.670 16.684 24.906 1.00 0.00 WT1 H ATOM 26902 OH2 TIP3 9261 68.843 76.579 -13.912 1.00 0.00 WT1 O ATOM 26903 H1 TIP3 9261 69.238 76.821 -14.749 1.00 0.00 WT1 H ATOM 26904 H2 TIP3 9261 68.284 75.830 -14.117 1.00 0.00 WT1 H ATOM 26905 OH2 TIP3 2 56.822 66.759 -12.489 1.00 0.00 WT2 O ATOM 26906 H1 TIP3 2 56.316 66.099 -12.015 1.00 0.00 WT2 H ATOM 26907 H2 TIP3 2 56.870 67.502 -11.888 1.00 0.00 WT2 H ATOM 26908 OH2 TIP3 3 65.882 85.099 54.951 1.00 0.00 WT2 O ATOM 26909 H1 TIP3 3 66.826 85.028 54.806 1.00 0.00 WT2 H ATOM 26910 H2 TIP3 3 65.648 84.289 55.403 1.00 0.00 WT2 H ATOM 26911 OH2 TIP3 4 56.159 6.938 58.671 1.00 0.00 WT2 O ATOM 26912 H1 TIP3 4 56.387 6.161 59.181 1.00 0.00 WT2 H ATOM 26913 H2 TIP3 4 56.135 6.632 57.765 1.00 0.00 WT2 H ATOM 26914 OH2 TIP3 5 72.537 65.995 66.938 1.00 0.00 WT2 O ATOM 26915 H1 TIP3 5 72.471 65.040 66.908 1.00 0.00 WT2 H ATOM 26916 H2 TIP3 5 72.126 66.290 66.126 1.00 0.00 WT2 H ATOM 26917 OH2 TIP3 7 26.873 83.737 0.168 1.00 0.00 WT2 O ATOM 26918 H1 TIP3 7 26.458 82.968 0.559 1.00 0.00 WT2 H ATOM 26919 H2 TIP3 7 27.708 83.413 -0.170 1.00 0.00 WT2 H ATOM 26920 OH2 TIP3 9 85.421 24.129 13.480 1.00 0.00 WT2 O ATOM 26921 H1 TIP3 9 85.360 24.789 12.790 1.00 0.00 WT2 H ATOM 26922 H2 TIP3 9 85.321 23.294 13.023 1.00 0.00 WT2 H ATOM 26923 OH2 TIP3 11 82.226 42.472 39.749 1.00 0.00 WT2 O ATOM 26924 H1 TIP3 11 81.880 42.581 40.635 1.00 0.00 WT2 H ATOM 26925 H2 TIP3 11 82.507 41.558 39.712 1.00 0.00 WT2 H ATOM 26926 OH2 TIP3 21 23.471 45.798 60.557 1.00 0.00 WT2 O ATOM 26927 H1 TIP3 21 23.261 46.113 61.436 1.00 0.00 WT2 H ATOM 26928 H2 TIP3 21 24.412 45.952 60.465 1.00 0.00 WT2 H ATOM 26929 OH2 TIP3 22 37.763 41.878 -9.847 1.00 0.00 WT2 O ATOM 26930 H1 TIP3 22 38.251 41.582 -10.616 1.00 0.00 WT2 H ATOM 26931 H2 TIP3 22 37.154 41.165 -9.660 1.00 0.00 WT2 H ATOM 26932 OH2 TIP3 23 40.445 44.653 57.223 1.00 0.00 WT2 O ATOM 26933 H1 TIP3 23 39.844 43.909 57.246 1.00 0.00 WT2 H ATOM 26934 H2 TIP3 23 40.732 44.758 58.130 1.00 0.00 WT2 H ATOM 26935 OH2 TIP3 24 77.056 5.064 45.012 1.00 0.00 WT2 O ATOM 26936 H1 TIP3 24 77.503 5.501 44.288 1.00 0.00 WT2 H ATOM 26937 H2 TIP3 24 76.164 5.413 44.989 1.00 0.00 WT2 H ATOM 26938 OH2 TIP3 25 22.967 84.001 51.286 1.00 0.00 WT2 O ATOM 26939 H1 TIP3 25 22.039 83.787 51.194 1.00 0.00 WT2 H ATOM 26940 H2 TIP3 25 22.986 84.725 51.912 1.00 0.00 WT2 H ATOM 26941 OH2 TIP3 27 80.916 20.791 33.877 1.00 0.00 WT2 O ATOM 26942 H1 TIP3 27 81.084 21.424 33.180 1.00 0.00 WT2 H ATOM 26943 H2 TIP3 27 81.744 20.320 33.978 1.00 0.00 WT2 H ATOM 26944 OH2 TIP3 28 35.448 42.235 -5.046 1.00 0.00 WT2 O ATOM 26945 H1 TIP3 28 35.891 42.199 -5.894 1.00 0.00 WT2 H ATOM 26946 H2 TIP3 28 34.525 42.365 -5.263 1.00 0.00 WT2 H ATOM 26947 OH2 TIP3 29 42.733 62.025 -5.991 1.00 0.00 WT2 O ATOM 26948 H1 TIP3 29 42.123 62.079 -5.256 1.00 0.00 WT2 H ATOM 26949 H2 TIP3 29 43.479 61.532 -5.649 1.00 0.00 WT2 H ATOM 26950 OH2 TIP3 31 33.345 54.034 51.685 1.00 0.00 WT2 O ATOM 26951 H1 TIP3 31 33.271 53.130 51.990 1.00 0.00 WT2 H ATOM 26952 H2 TIP3 31 32.442 54.352 51.655 1.00 0.00 WT2 H ATOM 26953 OH2 TIP3 36 28.485 66.997 25.078 1.00 0.00 WT2 O ATOM 26954 H1 TIP3 36 29.116 66.775 25.763 1.00 0.00 WT2 H ATOM 26955 H2 TIP3 36 27.802 67.491 25.531 1.00 0.00 WT2 H ATOM 26956 OH2 TIP3 40 37.261 26.151 53.998 1.00 0.00 WT2 O ATOM 26957 H1 TIP3 40 38.107 25.741 53.815 1.00 0.00 WT2 H ATOM 26958 H2 TIP3 40 37.288 26.350 54.933 1.00 0.00 WT2 H ATOM 26959 OH2 TIP3 43 24.979 88.278 18.584 1.00 0.00 WT2 O ATOM 26960 H1 TIP3 43 25.388 87.413 18.541 1.00 0.00 WT2 H ATOM 26961 H2 TIP3 43 25.068 88.629 17.698 1.00 0.00 WT2 H ATOM 26962 OH2 TIP3 44 74.596 39.617 53.498 1.00 0.00 WT2 O ATOM 26963 H1 TIP3 44 74.488 38.827 52.967 1.00 0.00 WT2 H ATOM 26964 H2 TIP3 44 73.704 39.933 53.642 1.00 0.00 WT2 H ATOM 26965 OH2 TIP3 46 88.249 70.771 38.562 1.00 0.00 WT2 O ATOM 26966 H1 TIP3 46 88.023 70.904 37.641 1.00 0.00 WT2 H ATOM 26967 H2 TIP3 46 89.020 70.204 38.540 1.00 0.00 WT2 H ATOM 26968 OH2 TIP3 47 25.026 79.800 26.503 1.00 0.00 WT2 O ATOM 26969 H1 TIP3 47 25.379 80.405 25.851 1.00 0.00 WT2 H ATOM 26970 H2 TIP3 47 25.124 78.935 26.106 1.00 0.00 WT2 H ATOM 26971 OH2 TIP3 50 50.799 86.287 48.377 1.00 0.00 WT2 O ATOM 26972 H1 TIP3 50 50.242 86.131 49.140 1.00 0.00 WT2 H ATOM 26973 H2 TIP3 50 51.682 86.368 48.738 1.00 0.00 WT2 H ATOM 26974 OH2 TIP3 64 58.806 52.219 2.869 1.00 0.00 WT2 O ATOM 26975 H1 TIP3 64 59.386 52.976 2.780 1.00 0.00 WT2 H ATOM 26976 H2 TIP3 64 58.608 52.178 3.805 1.00 0.00 WT2 H ATOM 26977 OH2 TIP3 65 89.964 32.336 -2.966 1.00 0.00 WT2 O ATOM 26978 H1 TIP3 65 89.649 32.938 -2.291 1.00 0.00 WT2 H ATOM 26979 H2 TIP3 65 90.593 32.850 -3.472 1.00 0.00 WT2 H ATOM 26980 OH2 TIP3 66 37.963 32.400 63.768 1.00 0.00 WT2 O ATOM 26981 H1 TIP3 66 37.236 32.588 64.362 1.00 0.00 WT2 H ATOM 26982 H2 TIP3 66 38.478 31.734 64.222 1.00 0.00 WT2 H ATOM 26983 OH2 TIP3 67 47.423 24.465 -6.916 1.00 0.00 WT2 O ATOM 26984 H1 TIP3 67 48.234 24.576 -6.420 1.00 0.00 WT2 H ATOM 26985 H2 TIP3 67 47.660 23.878 -7.634 1.00 0.00 WT2 H ATOM 26986 OH2 TIP3 68 35.721 62.382 -9.612 1.00 0.00 WT2 O ATOM 26987 H1 TIP3 68 35.737 61.485 -9.277 1.00 0.00 WT2 H ATOM 26988 H2 TIP3 68 34.836 62.693 -9.421 1.00 0.00 WT2 H ATOM 26989 OH2 TIP3 69 34.067 47.801 11.571 1.00 0.00 WT2 O ATOM 26990 H1 TIP3 69 34.165 48.525 10.952 1.00 0.00 WT2 H ATOM 26991 H2 TIP3 69 33.352 48.071 12.146 1.00 0.00 WT2 H ATOM 26992 OH2 TIP3 70 37.657 70.013 -14.443 1.00 0.00 WT2 O ATOM 26993 H1 TIP3 70 38.300 70.060 -15.150 1.00 0.00 WT2 H ATOM 26994 H2 TIP3 70 38.130 69.611 -13.714 1.00 0.00 WT2 H ATOM 26995 OH2 TIP3 72 74.144 89.359 67.340 1.00 0.00 WT2 O ATOM 26996 H1 TIP3 72 73.373 89.845 67.048 1.00 0.00 WT2 H ATOM 26997 H2 TIP3 72 74.521 89.000 66.536 1.00 0.00 WT2 H ATOM 26998 OH2 TIP3 73 45.526 58.509 50.182 1.00 0.00 WT2 O ATOM 26999 H1 TIP3 73 45.510 59.291 49.630 1.00 0.00 WT2 H ATOM 27000 H2 TIP3 73 45.586 57.780 49.564 1.00 0.00 WT2 H ATOM 27001 OH2 TIP3 83 70.847 85.943 38.116 1.00 0.00 WT2 O ATOM 27002 H1 TIP3 83 70.037 85.462 37.949 1.00 0.00 WT2 H ATOM 27003 H2 TIP3 83 71.520 85.266 38.181 1.00 0.00 WT2 H ATOM 27004 OH2 TIP3 85 31.212 39.897 35.032 1.00 0.00 WT2 O ATOM 27005 H1 TIP3 85 31.223 40.410 35.840 1.00 0.00 WT2 H ATOM 27006 H2 TIP3 85 32.126 39.647 34.895 1.00 0.00 WT2 H ATOM 27007 OH2 TIP3 86 40.196 51.090 -9.786 1.00 0.00 WT2 O ATOM 27008 H1 TIP3 86 40.417 50.849 -8.887 1.00 0.00 WT2 H ATOM 27009 H2 TIP3 86 40.558 51.970 -9.895 1.00 0.00 WT2 H ATOM 27010 OH2 TIP3 87 60.014 2.374 43.558 1.00 0.00 WT2 O ATOM 27011 H1 TIP3 87 59.582 1.539 43.738 1.00 0.00 WT2 H ATOM 27012 H2 TIP3 87 60.457 2.596 44.377 1.00 0.00 WT2 H ATOM 27013 OH2 TIP3 88 63.864 51.505 -15.086 1.00 0.00 WT2 O ATOM 27014 H1 TIP3 88 63.300 51.229 -15.808 1.00 0.00 WT2 H ATOM 27015 H2 TIP3 88 64.652 50.969 -15.180 1.00 0.00 WT2 H ATOM 27016 OH2 TIP3 90 58.927 93.891 42.610 1.00 0.00 WT2 O ATOM 27017 H1 TIP3 90 59.127 93.018 42.948 1.00 0.00 WT2 H ATOM 27018 H2 TIP3 90 59.685 94.118 42.071 1.00 0.00 WT2 H ATOM 27019 OH2 TIP3 91 58.503 37.456 48.046 1.00 0.00 WT2 O ATOM 27020 H1 TIP3 91 59.104 37.233 47.336 1.00 0.00 WT2 H ATOM 27021 H2 TIP3 91 58.675 36.800 48.721 1.00 0.00 WT2 H ATOM 27022 OH2 TIP3 93 67.419 17.459 57.108 1.00 0.00 WT2 O ATOM 27023 H1 TIP3 93 67.101 17.611 56.218 1.00 0.00 WT2 H ATOM 27024 H2 TIP3 93 66.653 17.602 57.664 1.00 0.00 WT2 H ATOM 27025 OH2 TIP3 107 24.393 38.727 7.893 1.00 0.00 WT2 O ATOM 27026 H1 TIP3 107 23.536 38.849 8.302 1.00 0.00 WT2 H ATOM 27027 H2 TIP3 107 24.788 39.598 7.900 1.00 0.00 WT2 H ATOM 27028 OH2 TIP3 108 31.397 65.725 22.266 1.00 0.00 WT2 O ATOM 27029 H1 TIP3 108 31.770 65.039 22.820 1.00 0.00 WT2 H ATOM 27030 H2 TIP3 108 31.139 65.271 21.464 1.00 0.00 WT2 H ATOM 27031 OH2 TIP3 109 60.423 6.297 61.183 1.00 0.00 WT2 O ATOM 27032 H1 TIP3 109 60.645 5.552 61.741 1.00 0.00 WT2 H ATOM 27033 H2 TIP3 109 60.308 5.918 60.312 1.00 0.00 WT2 H ATOM 27034 OH2 TIP3 110 30.074 36.423 -4.790 1.00 0.00 WT2 O ATOM 27035 H1 TIP3 110 30.817 36.603 -4.214 1.00 0.00 WT2 H ATOM 27036 H2 TIP3 110 30.323 36.807 -5.631 1.00 0.00 WT2 H ATOM 27037 OH2 TIP3 111 83.597 85.835 -2.970 1.00 0.00 WT2 O ATOM 27038 H1 TIP3 111 84.061 85.204 -2.420 1.00 0.00 WT2 H ATOM 27039 H2 TIP3 111 83.997 86.679 -2.758 1.00 0.00 WT2 H ATOM 27040 OH2 TIP3 112 31.137 0.888 8.911 1.00 0.00 WT2 O ATOM 27041 H1 TIP3 112 30.902 1.568 8.280 1.00 0.00 WT2 H ATOM 27042 H2 TIP3 112 31.782 0.349 8.454 1.00 0.00 WT2 H ATOM 27043 OH2 TIP3 113 46.934 6.800 26.370 1.00 0.00 WT2 O ATOM 27044 H1 TIP3 113 46.386 7.545 26.124 1.00 0.00 WT2 H ATOM 27045 H2 TIP3 113 46.511 6.045 25.960 1.00 0.00 WT2 H ATOM 27046 OH2 TIP3 114 25.341 82.194 -13.863 1.00 0.00 WT2 O ATOM 27047 H1 TIP3 114 25.331 81.556 -14.576 1.00 0.00 WT2 H ATOM 27048 H2 TIP3 114 26.216 82.582 -13.900 1.00 0.00 WT2 H ATOM 27049 OH2 TIP3 125 61.035 26.146 7.790 1.00 0.00 WT2 O ATOM 27050 H1 TIP3 125 60.961 25.540 7.053 1.00 0.00 WT2 H ATOM 27051 H2 TIP3 125 60.901 25.600 8.564 1.00 0.00 WT2 H ATOM 27052 OH2 TIP3 129 59.316 22.721 0.828 1.00 0.00 WT2 O ATOM 27053 H1 TIP3 129 60.091 22.354 1.253 1.00 0.00 WT2 H ATOM 27054 H2 TIP3 129 58.626 22.654 1.488 1.00 0.00 WT2 H ATOM 27055 OH2 TIP3 130 79.325 20.872 36.161 1.00 0.00 WT2 O ATOM 27056 H1 TIP3 130 80.002 20.885 36.838 1.00 0.00 WT2 H ATOM 27057 H2 TIP3 130 79.801 20.704 35.348 1.00 0.00 WT2 H ATOM 27058 OH2 TIP3 132 77.574 51.198 66.161 1.00 0.00 WT2 O ATOM 27059 H1 TIP3 132 77.592 50.800 67.031 1.00 0.00 WT2 H ATOM 27060 H2 TIP3 132 76.897 51.871 66.219 1.00 0.00 WT2 H ATOM 27061 OH2 TIP3 133 77.149 5.483 -5.376 1.00 0.00 WT2 O ATOM 27062 H1 TIP3 133 76.446 5.567 -6.020 1.00 0.00 WT2 H ATOM 27063 H2 TIP3 133 77.001 6.205 -4.764 1.00 0.00 WT2 H ATOM 27064 OH2 TIP3 144 44.245 28.687 37.387 1.00 0.00 WT2 O ATOM 27065 H1 TIP3 144 44.389 29.139 36.555 1.00 0.00 WT2 H ATOM 27066 H2 TIP3 144 44.843 29.116 37.999 1.00 0.00 WT2 H ATOM 27067 OH2 TIP3 145 74.562 17.461 -12.518 1.00 0.00 WT2 O ATOM 27068 H1 TIP3 145 75.026 18.174 -12.081 1.00 0.00 WT2 H ATOM 27069 H2 TIP3 145 73.979 17.898 -13.138 1.00 0.00 WT2 H ATOM 27070 OH2 TIP3 146 40.436 48.968 -14.178 1.00 0.00 WT2 O ATOM 27071 H1 TIP3 146 41.169 49.302 -13.660 1.00 0.00 WT2 H ATOM 27072 H2 TIP3 146 40.170 49.708 -14.723 1.00 0.00 WT2 H ATOM 27073 OH2 TIP3 149 45.496 63.260 -11.813 1.00 0.00 WT2 O ATOM 27074 H1 TIP3 149 45.550 62.748 -11.006 1.00 0.00 WT2 H ATOM 27075 H2 TIP3 149 44.602 63.601 -11.821 1.00 0.00 WT2 H ATOM 27076 OH2 TIP3 150 22.979 23.286 52.487 1.00 0.00 WT2 O ATOM 27077 H1 TIP3 150 23.810 23.759 52.536 1.00 0.00 WT2 H ATOM 27078 H2 TIP3 150 23.198 22.389 52.739 1.00 0.00 WT2 H ATOM 27079 OH2 TIP3 151 40.156 43.895 10.009 1.00 0.00 WT2 O ATOM 27080 H1 TIP3 151 40.553 44.671 10.405 1.00 0.00 WT2 H ATOM 27081 H2 TIP3 151 40.844 43.532 9.451 1.00 0.00 WT2 H ATOM 27082 OH2 TIP3 152 60.489 40.460 37.259 1.00 0.00 WT2 O ATOM 27083 H1 TIP3 152 59.942 41.027 37.803 1.00 0.00 WT2 H ATOM 27084 H2 TIP3 152 61.386 40.695 37.495 1.00 0.00 WT2 H ATOM 27085 OH2 TIP3 154 78.477 9.406 -12.138 1.00 0.00 WT2 O ATOM 27086 H1 TIP3 154 78.152 8.970 -11.350 1.00 0.00 WT2 H ATOM 27087 H2 TIP3 154 79.057 8.763 -12.546 1.00 0.00 WT2 H ATOM 27088 OH2 TIP3 167 22.364 92.927 23.282 1.00 0.00 WT2 O ATOM 27089 H1 TIP3 167 22.535 93.788 23.665 1.00 0.00 WT2 H ATOM 27090 H2 TIP3 167 22.405 93.073 22.337 1.00 0.00 WT2 H ATOM 27091 OH2 TIP3 170 66.928 15.490 39.829 1.00 0.00 WT2 O ATOM 27092 H1 TIP3 170 67.309 15.129 39.029 1.00 0.00 WT2 H ATOM 27093 H2 TIP3 170 67.171 14.866 40.513 1.00 0.00 WT2 H ATOM 27094 OH2 TIP3 171 73.996 47.432 63.483 1.00 0.00 WT2 O ATOM 27095 H1 TIP3 171 73.231 47.944 63.220 1.00 0.00 WT2 H ATOM 27096 H2 TIP3 171 74.651 48.086 63.724 1.00 0.00 WT2 H ATOM 27097 OH2 TIP3 173 85.729 48.899 46.556 1.00 0.00 WT2 O ATOM 27098 H1 TIP3 173 85.793 47.992 46.257 1.00 0.00 WT2 H ATOM 27099 H2 TIP3 173 86.287 49.390 45.954 1.00 0.00 WT2 H ATOM 27100 OH2 TIP3 174 30.871 56.369 65.029 1.00 0.00 WT2 O ATOM 27101 H1 TIP3 174 30.317 55.607 64.863 1.00 0.00 WT2 H ATOM 27102 H2 TIP3 174 31.039 56.344 65.971 1.00 0.00 WT2 H ATOM 27103 OH2 TIP3 178 76.161 78.115 -12.895 1.00 0.00 WT2 O ATOM 27104 H1 TIP3 178 76.950 77.611 -12.697 1.00 0.00 WT2 H ATOM 27105 H2 TIP3 178 76.212 78.878 -12.319 1.00 0.00 WT2 H ATOM 27106 OH2 TIP3 189 36.354 16.255 64.754 1.00 0.00 WT2 O ATOM 27107 H1 TIP3 189 35.549 15.862 64.417 1.00 0.00 WT2 H ATOM 27108 H2 TIP3 189 36.244 16.249 65.705 1.00 0.00 WT2 H ATOM 27109 OH2 TIP3 190 31.779 52.627 66.875 1.00 0.00 WT2 O ATOM 27110 H1 TIP3 190 31.902 52.993 67.751 1.00 0.00 WT2 H ATOM 27111 H2 TIP3 190 32.595 52.827 66.415 1.00 0.00 WT2 H ATOM 27112 OH2 TIP3 191 44.232 67.462 -1.789 1.00 0.00 WT2 O ATOM 27113 H1 TIP3 191 44.356 67.995 -1.004 1.00 0.00 WT2 H ATOM 27114 H2 TIP3 191 44.169 66.564 -1.462 1.00 0.00 WT2 H ATOM 27115 OH2 TIP3 192 29.485 24.718 61.319 1.00 0.00 WT2 O ATOM 27116 H1 TIP3 192 29.728 25.641 61.243 1.00 0.00 WT2 H ATOM 27117 H2 TIP3 192 30.150 24.252 60.813 1.00 0.00 WT2 H ATOM 27118 OH2 TIP3 193 74.025 29.995 10.189 1.00 0.00 WT2 O ATOM 27119 H1 TIP3 193 73.278 30.578 10.054 1.00 0.00 WT2 H ATOM 27120 H2 TIP3 193 73.781 29.463 10.946 1.00 0.00 WT2 H ATOM 27121 OH2 TIP3 195 83.719 21.814 -7.071 1.00 0.00 WT2 O ATOM 27122 H1 TIP3 195 84.128 20.963 -6.916 1.00 0.00 WT2 H ATOM 27123 H2 TIP3 195 82.787 21.665 -6.913 1.00 0.00 WT2 H ATOM 27124 OH2 TIP3 196 20.689 91.051 -2.157 1.00 0.00 WT2 O ATOM 27125 H1 TIP3 196 21.004 90.745 -1.306 1.00 0.00 WT2 H ATOM 27126 H2 TIP3 196 19.802 90.698 -2.225 1.00 0.00 WT2 H ATOM 27127 OH2 TIP3 199 33.618 64.393 -3.941 1.00 0.00 WT2 O ATOM 27128 H1 TIP3 199 33.381 63.573 -3.507 1.00 0.00 WT2 H ATOM 27129 H2 TIP3 199 33.277 65.076 -3.364 1.00 0.00 WT2 H ATOM 27130 OH2 TIP3 212 28.372 23.169 42.974 1.00 0.00 WT2 O ATOM 27131 H1 TIP3 212 28.660 24.041 43.246 1.00 0.00 WT2 H ATOM 27132 H2 TIP3 212 28.588 22.603 43.715 1.00 0.00 WT2 H ATOM 27133 OH2 TIP3 214 37.015 29.692 27.874 1.00 0.00 WT2 O ATOM 27134 H1 TIP3 214 37.196 30.233 28.642 1.00 0.00 WT2 H ATOM 27135 H2 TIP3 214 37.879 29.434 27.552 1.00 0.00 WT2 H ATOM 27136 OH2 TIP3 217 71.637 51.156 -2.712 1.00 0.00 WT2 O ATOM 27137 H1 TIP3 217 71.059 51.840 -2.373 1.00 0.00 WT2 H ATOM 27138 H2 TIP3 217 71.081 50.380 -2.774 1.00 0.00 WT2 H ATOM 27139 OH2 TIP3 233 60.290 30.566 17.929 1.00 0.00 WT2 O ATOM 27140 H1 TIP3 233 59.441 30.728 17.519 1.00 0.00 WT2 H ATOM 27141 H2 TIP3 233 60.096 30.491 18.863 1.00 0.00 WT2 H ATOM 27142 OH2 TIP3 235 29.646 3.622 14.786 1.00 0.00 WT2 O ATOM 27143 H1 TIP3 235 30.000 4.500 14.931 1.00 0.00 WT2 H ATOM 27144 H2 TIP3 235 30.418 3.061 14.718 1.00 0.00 WT2 H ATOM 27145 OH2 TIP3 236 24.304 73.764 3.437 1.00 0.00 WT2 O ATOM 27146 H1 TIP3 236 25.206 74.061 3.561 1.00 0.00 WT2 H ATOM 27147 H2 TIP3 236 23.882 73.919 4.282 1.00 0.00 WT2 H ATOM 27148 OH2 TIP3 237 64.031 16.154 -17.618 1.00 0.00 WT2 O ATOM 27149 H1 TIP3 237 63.908 15.545 -18.346 1.00 0.00 WT2 H ATOM 27150 H2 TIP3 237 63.720 16.995 -17.954 1.00 0.00 WT2 H ATOM 27151 OH2 TIP3 239 26.160 26.151 59.165 1.00 0.00 WT2 O ATOM 27152 H1 TIP3 239 25.657 26.568 59.865 1.00 0.00 WT2 H ATOM 27153 H2 TIP3 239 27.031 26.545 59.228 1.00 0.00 WT2 H ATOM 27154 OH2 TIP3 244 71.479 28.386 1.609 1.00 0.00 WT2 O ATOM 27155 H1 TIP3 244 70.812 27.951 1.078 1.00 0.00 WT2 H ATOM 27156 H2 TIP3 244 71.761 27.718 2.234 1.00 0.00 WT2 H ATOM 27157 OH2 TIP3 252 47.509 87.005 43.912 1.00 0.00 WT2 O ATOM 27158 H1 TIP3 252 47.566 86.190 43.412 1.00 0.00 WT2 H ATOM 27159 H2 TIP3 252 47.196 86.735 44.775 1.00 0.00 WT2 H ATOM 27160 OH2 TIP3 253 39.851 47.076 -18.264 1.00 0.00 WT2 O ATOM 27161 H1 TIP3 253 40.486 47.719 -17.947 1.00 0.00 WT2 H ATOM 27162 H2 TIP3 253 40.385 46.342 -18.569 1.00 0.00 WT2 H ATOM 27163 OH2 TIP3 255 76.697 57.115 -19.449 1.00 0.00 WT2 O ATOM 27164 H1 TIP3 255 77.033 57.997 -19.287 1.00 0.00 WT2 H ATOM 27165 H2 TIP3 255 76.425 56.800 -18.588 1.00 0.00 WT2 H ATOM 27166 OH2 TIP3 256 71.100 87.598 -16.558 1.00 0.00 WT2 O ATOM 27167 H1 TIP3 256 70.194 87.446 -16.826 1.00 0.00 WT2 H ATOM 27168 H2 TIP3 256 71.119 88.515 -16.284 1.00 0.00 WT2 H ATOM 27169 OH2 TIP3 257 28.573 93.537 6.927 1.00 0.00 WT2 O ATOM 27170 H1 TIP3 257 28.066 92.906 7.437 1.00 0.00 WT2 H ATOM 27171 H2 TIP3 257 29.399 93.622 7.404 1.00 0.00 WT2 H ATOM 27172 OH2 TIP3 258 64.478 61.403 -4.094 1.00 0.00 WT2 O ATOM 27173 H1 TIP3 258 63.791 60.763 -4.282 1.00 0.00 WT2 H ATOM 27174 H2 TIP3 258 64.004 62.197 -3.846 1.00 0.00 WT2 H ATOM 27175 OH2 TIP3 260 82.077 23.336 -2.033 1.00 0.00 WT2 O ATOM 27176 H1 TIP3 260 82.509 22.537 -2.336 1.00 0.00 WT2 H ATOM 27177 H2 TIP3 260 82.360 23.430 -1.123 1.00 0.00 WT2 H ATOM 27178 OH2 TIP3 262 76.672 90.295 37.290 1.00 0.00 WT2 O ATOM 27179 H1 TIP3 262 75.890 90.787 37.537 1.00 0.00 WT2 H ATOM 27180 H2 TIP3 262 77.192 90.912 36.775 1.00 0.00 WT2 H ATOM 27181 OH2 TIP3 273 78.033 16.391 -12.555 1.00 0.00 WT2 O ATOM 27182 H1 TIP3 273 77.692 15.931 -13.322 1.00 0.00 WT2 H ATOM 27183 H2 TIP3 273 78.005 17.316 -12.798 1.00 0.00 WT2 H ATOM 27184 OH2 TIP3 278 73.411 50.258 35.302 1.00 0.00 WT2 O ATOM 27185 H1 TIP3 278 73.472 51.211 35.232 1.00 0.00 WT2 H ATOM 27186 H2 TIP3 278 72.471 50.078 35.322 1.00 0.00 WT2 H ATOM 27187 OH2 TIP3 279 59.726 10.842 -6.962 1.00 0.00 WT2 O ATOM 27188 H1 TIP3 279 59.139 10.095 -7.080 1.00 0.00 WT2 H ATOM 27189 H2 TIP3 279 59.852 10.902 -6.015 1.00 0.00 WT2 H ATOM 27190 OH2 TIP3 280 68.117 32.781 11.639 1.00 0.00 WT2 O ATOM 27191 H1 TIP3 280 67.242 32.990 11.967 1.00 0.00 WT2 H ATOM 27192 H2 TIP3 280 68.644 33.551 11.855 1.00 0.00 WT2 H ATOM 27193 OH2 TIP3 295 51.141 3.115 -19.809 1.00 0.00 WT2 O ATOM 27194 H1 TIP3 295 50.327 3.202 -19.314 1.00 0.00 WT2 H ATOM 27195 H2 TIP3 295 51.624 2.422 -19.358 1.00 0.00 WT2 H ATOM 27196 OH2 TIP3 296 29.351 50.952 53.923 1.00 0.00 WT2 O ATOM 27197 H1 TIP3 296 29.052 50.922 54.832 1.00 0.00 WT2 H ATOM 27198 H2 TIP3 296 29.610 51.863 53.786 1.00 0.00 WT2 H ATOM 27199 OH2 TIP3 297 80.833 16.247 -3.181 1.00 0.00 WT2 O ATOM 27200 H1 TIP3 297 80.076 16.141 -3.758 1.00 0.00 WT2 H ATOM 27201 H2 TIP3 297 80.493 16.725 -2.425 1.00 0.00 WT2 H ATOM 27202 OH2 TIP3 299 76.623 28.597 1.062 1.00 0.00 WT2 O ATOM 27203 H1 TIP3 299 76.012 28.483 0.334 1.00 0.00 WT2 H ATOM 27204 H2 TIP3 299 76.124 29.081 1.721 1.00 0.00 WT2 H ATOM 27205 OH2 TIP3 300 80.303 40.928 29.411 1.00 0.00 WT2 O ATOM 27206 H1 TIP3 300 79.675 41.588 29.119 1.00 0.00 WT2 H ATOM 27207 H2 TIP3 300 80.815 41.367 30.090 1.00 0.00 WT2 H ATOM 27208 OH2 TIP3 301 37.437 12.995 -11.674 1.00 0.00 WT2 O ATOM 27209 H1 TIP3 301 37.657 13.268 -10.784 1.00 0.00 WT2 H ATOM 27210 H2 TIP3 301 36.505 13.196 -11.763 1.00 0.00 WT2 H ATOM 27211 OH2 TIP3 302 25.129 20.710 42.094 1.00 0.00 WT2 O ATOM 27212 H1 TIP3 302 25.702 20.357 41.413 1.00 0.00 WT2 H ATOM 27213 H2 TIP3 302 24.279 20.301 41.929 1.00 0.00 WT2 H ATOM 27214 OH2 TIP3 303 87.201 44.178 43.014 1.00 0.00 WT2 O ATOM 27215 H1 TIP3 303 86.987 43.374 43.486 1.00 0.00 WT2 H ATOM 27216 H2 TIP3 303 87.646 44.726 43.662 1.00 0.00 WT2 H ATOM 27217 OH2 TIP3 315 27.498 33.761 26.640 1.00 0.00 WT2 O ATOM 27218 H1 TIP3 315 28.109 34.254 26.092 1.00 0.00 WT2 H ATOM 27219 H2 TIP3 315 27.654 32.845 26.409 1.00 0.00 WT2 H ATOM 27220 OH2 TIP3 316 77.777 38.006 1.257 1.00 0.00 WT2 O ATOM 27221 H1 TIP3 316 76.974 37.938 0.741 1.00 0.00 WT2 H ATOM 27222 H2 TIP3 316 77.616 37.455 2.023 1.00 0.00 WT2 H ATOM 27223 OH2 TIP3 317 46.052 56.291 -4.552 1.00 0.00 WT2 O ATOM 27224 H1 TIP3 317 46.975 56.194 -4.319 1.00 0.00 WT2 H ATOM 27225 H2 TIP3 317 45.611 55.579 -4.087 1.00 0.00 WT2 H ATOM 27226 OH2 TIP3 319 23.428 86.726 5.166 1.00 0.00 WT2 O ATOM 27227 H1 TIP3 319 24.198 87.224 5.440 1.00 0.00 WT2 H ATOM 27228 H2 TIP3 319 22.689 87.196 5.553 1.00 0.00 WT2 H ATOM 27229 OH2 TIP3 320 60.846 23.914 9.355 1.00 0.00 WT2 O ATOM 27230 H1 TIP3 320 60.411 23.062 9.317 1.00 0.00 WT2 H ATOM 27231 H2 TIP3 320 60.982 24.072 10.289 1.00 0.00 WT2 H ATOM 27232 OH2 TIP3 321 79.963 67.750 -16.832 1.00 0.00 WT2 O ATOM 27233 H1 TIP3 321 79.263 68.196 -17.309 1.00 0.00 WT2 H ATOM 27234 H2 TIP3 321 80.427 68.452 -16.375 1.00 0.00 WT2 H ATOM 27235 OH2 TIP3 322 38.865 14.982 64.438 1.00 0.00 WT2 O ATOM 27236 H1 TIP3 322 38.074 15.471 64.664 1.00 0.00 WT2 H ATOM 27237 H2 TIP3 322 38.909 14.282 65.090 1.00 0.00 WT2 H ATOM 27238 OH2 TIP3 334 75.102 39.249 62.156 1.00 0.00 WT2 O ATOM 27239 H1 TIP3 334 75.296 38.534 61.551 1.00 0.00 WT2 H ATOM 27240 H2 TIP3 334 74.819 38.813 62.960 1.00 0.00 WT2 H ATOM 27241 OH2 TIP3 335 72.703 44.677 54.764 1.00 0.00 WT2 O ATOM 27242 H1 TIP3 335 71.761 44.838 54.831 1.00 0.00 WT2 H ATOM 27243 H2 TIP3 335 73.031 45.393 54.221 1.00 0.00 WT2 H ATOM 27244 OH2 TIP3 337 48.832 41.353 11.633 1.00 0.00 WT2 O ATOM 27245 H1 TIP3 337 48.692 40.570 12.166 1.00 0.00 WT2 H ATOM 27246 H2 TIP3 337 48.746 42.080 12.249 1.00 0.00 WT2 H ATOM 27247 OH2 TIP3 338 64.607 8.515 28.348 1.00 0.00 WT2 O ATOM 27248 H1 TIP3 338 64.356 9.416 28.143 1.00 0.00 WT2 H ATOM 27249 H2 TIP3 338 64.583 8.062 27.505 1.00 0.00 WT2 H ATOM 27250 OH2 TIP3 339 31.247 51.244 48.469 1.00 0.00 WT2 O ATOM 27251 H1 TIP3 339 32.011 51.561 47.988 1.00 0.00 WT2 H ATOM 27252 H2 TIP3 339 31.574 50.500 48.975 1.00 0.00 WT2 H ATOM 27253 OH2 TIP3 340 56.264 87.419 -12.687 1.00 0.00 WT2 O ATOM 27254 H1 TIP3 340 56.161 86.503 -12.426 1.00 0.00 WT2 H ATOM 27255 H2 TIP3 340 57.179 87.622 -12.493 1.00 0.00 WT2 H ATOM 27256 OH2 TIP3 341 36.788 65.581 -11.417 1.00 0.00 WT2 O ATOM 27257 H1 TIP3 341 36.183 64.933 -11.778 1.00 0.00 WT2 H ATOM 27258 H2 TIP3 341 37.553 65.541 -11.992 1.00 0.00 WT2 H ATOM 27259 OH2 TIP3 344 36.698 16.053 -11.168 1.00 0.00 WT2 O ATOM 27260 H1 TIP3 344 36.225 15.225 -11.090 1.00 0.00 WT2 H ATOM 27261 H2 TIP3 344 36.014 16.722 -11.148 1.00 0.00 WT2 H ATOM 27262 OH2 TIP3 346 48.695 29.538 43.231 1.00 0.00 WT2 O ATOM 27263 H1 TIP3 346 48.582 30.377 43.677 1.00 0.00 WT2 H ATOM 27264 H2 TIP3 346 48.849 29.772 42.315 1.00 0.00 WT2 H ATOM 27265 OH2 TIP3 361 78.148 83.719 55.734 1.00 0.00 WT2 O ATOM 27266 H1 TIP3 361 78.557 83.186 56.416 1.00 0.00 WT2 H ATOM 27267 H2 TIP3 361 77.212 83.680 55.929 1.00 0.00 WT2 H ATOM 27268 OH2 TIP3 362 88.466 69.630 -17.333 1.00 0.00 WT2 O ATOM 27269 H1 TIP3 362 88.635 69.018 -16.616 1.00 0.00 WT2 H ATOM 27270 H2 TIP3 362 87.543 69.496 -17.550 1.00 0.00 WT2 H ATOM 27271 OH2 TIP3 364 59.196 71.907 45.698 1.00 0.00 WT2 O ATOM 27272 H1 TIP3 364 58.679 71.802 44.900 1.00 0.00 WT2 H ATOM 27273 H2 TIP3 364 59.776 71.146 45.710 1.00 0.00 WT2 H ATOM 27274 OH2 TIP3 375 70.773 12.849 53.446 1.00 0.00 WT2 O ATOM 27275 H1 TIP3 375 70.217 12.158 53.804 1.00 0.00 WT2 H ATOM 27276 H2 TIP3 375 70.282 13.190 52.699 1.00 0.00 WT2 H ATOM 27277 OH2 TIP3 378 33.154 35.291 10.704 1.00 0.00 WT2 O ATOM 27278 H1 TIP3 378 32.685 35.839 10.076 1.00 0.00 WT2 H ATOM 27279 H2 TIP3 378 32.946 35.672 11.557 1.00 0.00 WT2 H ATOM 27280 OH2 TIP3 381 75.282 53.056 36.294 1.00 0.00 WT2 O ATOM 27281 H1 TIP3 381 75.598 53.642 35.607 1.00 0.00 WT2 H ATOM 27282 H2 TIP3 381 74.328 53.114 36.239 1.00 0.00 WT2 H ATOM 27283 OH2 TIP3 383 48.250 43.973 45.179 1.00 0.00 WT2 O ATOM 27284 H1 TIP3 383 48.388 44.850 44.822 1.00 0.00 WT2 H ATOM 27285 H2 TIP3 383 48.975 43.455 44.829 1.00 0.00 WT2 H ATOM 27286 OH2 TIP3 384 26.605 24.881 4.672 1.00 0.00 WT2 O ATOM 27287 H1 TIP3 384 26.350 25.702 4.252 1.00 0.00 WT2 H ATOM 27288 H2 TIP3 384 26.273 24.956 5.567 1.00 0.00 WT2 H ATOM 27289 OH2 TIP3 385 41.153 51.024 47.304 1.00 0.00 WT2 O ATOM 27290 H1 TIP3 385 41.387 51.725 46.696 1.00 0.00 WT2 H ATOM 27291 H2 TIP3 385 41.691 51.188 48.079 1.00 0.00 WT2 H ATOM 27292 OH2 TIP3 387 40.881 59.921 60.986 1.00 0.00 WT2 O ATOM 27293 H1 TIP3 387 41.351 60.603 61.468 1.00 0.00 WT2 H ATOM 27294 H2 TIP3 387 40.672 60.324 60.144 1.00 0.00 WT2 H ATOM 27295 OH2 TIP3 392 48.358 58.121 -18.526 1.00 0.00 WT2 O ATOM 27296 H1 TIP3 392 47.948 57.273 -18.355 1.00 0.00 WT2 H ATOM 27297 H2 TIP3 392 47.633 58.690 -18.784 1.00 0.00 WT2 H ATOM 27298 OH2 TIP3 398 75.747 74.305 30.656 1.00 0.00 WT2 O ATOM 27299 H1 TIP3 398 75.329 73.463 30.476 1.00 0.00 WT2 H ATOM 27300 H2 TIP3 398 76.221 74.515 29.851 1.00 0.00 WT2 H ATOM 27301 OH2 TIP3 401 42.147 34.160 43.600 1.00 0.00 WT2 O ATOM 27302 H1 TIP3 401 41.207 33.984 43.557 1.00 0.00 WT2 H ATOM 27303 H2 TIP3 401 42.220 35.107 43.482 1.00 0.00 WT2 H ATOM 27304 OH2 TIP3 403 55.048 68.730 -11.194 1.00 0.00 WT2 O ATOM 27305 H1 TIP3 403 54.741 69.607 -11.423 1.00 0.00 WT2 H ATOM 27306 H2 TIP3 403 54.411 68.412 -10.554 1.00 0.00 WT2 H ATOM 27307 OH2 TIP3 404 48.898 94.585 45.344 1.00 0.00 WT2 O ATOM 27308 H1 TIP3 404 48.729 93.796 44.829 1.00 0.00 WT2 H ATOM 27309 H2 TIP3 404 49.849 94.600 45.454 1.00 0.00 WT2 H ATOM 27310 OH2 TIP3 406 21.087 61.940 -2.274 1.00 0.00 WT2 O ATOM 27311 H1 TIP3 406 20.675 62.796 -2.163 1.00 0.00 WT2 H ATOM 27312 H2 TIP3 406 21.532 61.778 -1.442 1.00 0.00 WT2 H ATOM 27313 OH2 TIP3 407 53.072 81.595 4.931 1.00 0.00 WT2 O ATOM 27314 H1 TIP3 407 53.424 80.752 5.218 1.00 0.00 WT2 H ATOM 27315 H2 TIP3 407 52.837 82.045 5.742 1.00 0.00 WT2 H ATOM 27316 OH2 TIP3 416 52.489 67.031 29.564 1.00 0.00 WT2 O ATOM 27317 H1 TIP3 416 51.780 66.408 29.402 1.00 0.00 WT2 H ATOM 27318 H2 TIP3 416 53.284 66.556 29.322 1.00 0.00 WT2 H ATOM 27319 OH2 TIP3 420 55.857 37.419 47.057 1.00 0.00 WT2 O ATOM 27320 H1 TIP3 420 55.887 37.449 46.100 1.00 0.00 WT2 H ATOM 27321 H2 TIP3 420 56.776 37.430 47.326 1.00 0.00 WT2 H ATOM 27322 OH2 TIP3 424 31.727 73.006 2.260 1.00 0.00 WT2 O ATOM 27323 H1 TIP3 424 31.931 72.117 2.550 1.00 0.00 WT2 H ATOM 27324 H2 TIP3 424 32.235 73.119 1.456 1.00 0.00 WT2 H ATOM 27325 OH2 TIP3 425 43.899 59.533 16.441 1.00 0.00 WT2 O ATOM 27326 H1 TIP3 425 44.100 60.469 16.467 1.00 0.00 WT2 H ATOM 27327 H2 TIP3 425 44.575 59.128 16.985 1.00 0.00 WT2 H ATOM 27328 OH2 TIP3 426 85.926 71.408 -15.104 1.00 0.00 WT2 O ATOM 27329 H1 TIP3 426 84.984 71.303 -14.970 1.00 0.00 WT2 H ATOM 27330 H2 TIP3 426 86.327 70.825 -14.459 1.00 0.00 WT2 H ATOM 27331 OH2 TIP3 427 35.349 16.791 -13.906 1.00 0.00 WT2 O ATOM 27332 H1 TIP3 427 34.856 16.002 -13.682 1.00 0.00 WT2 H ATOM 27333 H2 TIP3 427 36.233 16.624 -13.579 1.00 0.00 WT2 H ATOM 27334 OH2 TIP3 430 50.127 23.294 41.421 1.00 0.00 WT2 O ATOM 27335 H1 TIP3 430 50.136 22.637 42.117 1.00 0.00 WT2 H ATOM 27336 H2 TIP3 430 50.055 22.786 40.612 1.00 0.00 WT2 H ATOM 27337 OH2 TIP3 439 81.627 48.292 30.118 1.00 0.00 WT2 O ATOM 27338 H1 TIP3 439 80.697 48.378 30.329 1.00 0.00 WT2 H ATOM 27339 H2 TIP3 439 81.917 47.531 30.620 1.00 0.00 WT2 H ATOM 27340 OH2 TIP3 443 57.816 3.032 62.389 1.00 0.00 WT2 O ATOM 27341 H1 TIP3 443 58.681 2.948 61.988 1.00 0.00 WT2 H ATOM 27342 H2 TIP3 443 57.767 2.304 63.009 1.00 0.00 WT2 H ATOM 27343 OH2 TIP3 444 61.773 48.571 41.687 1.00 0.00 WT2 O ATOM 27344 H1 TIP3 444 62.535 48.246 41.207 1.00 0.00 WT2 H ATOM 27345 H2 TIP3 444 61.751 49.509 41.495 1.00 0.00 WT2 H ATOM 27346 OH2 TIP3 445 67.423 59.506 40.998 1.00 0.00 WT2 O ATOM 27347 H1 TIP3 445 66.699 59.948 41.442 1.00 0.00 WT2 H ATOM 27348 H2 TIP3 445 67.098 59.346 40.112 1.00 0.00 WT2 H ATOM 27349 OH2 TIP3 446 68.099 7.701 54.859 1.00 0.00 WT2 O ATOM 27350 H1 TIP3 446 68.894 7.581 54.339 1.00 0.00 WT2 H ATOM 27351 H2 TIP3 446 67.577 8.327 54.357 1.00 0.00 WT2 H ATOM 27352 OH2 TIP3 447 76.446 94.324 38.162 1.00 0.00 WT2 O ATOM 27353 H1 TIP3 447 76.357 95.276 38.211 1.00 0.00 WT2 H ATOM 27354 H2 TIP3 447 76.613 94.052 39.064 1.00 0.00 WT2 H ATOM 27355 OH2 TIP3 450 42.517 70.439 3.044 1.00 0.00 WT2 O ATOM 27356 H1 TIP3 450 42.394 69.593 3.475 1.00 0.00 WT2 H ATOM 27357 H2 TIP3 450 41.833 70.998 3.413 1.00 0.00 WT2 H ATOM 27358 OH2 TIP3 460 72.571 32.663 -4.928 1.00 0.00 WT2 O ATOM 27359 H1 TIP3 460 72.451 33.338 -5.596 1.00 0.00 WT2 H ATOM 27360 H2 TIP3 460 73.019 33.113 -4.211 1.00 0.00 WT2 H ATOM 27361 OH2 TIP3 465 73.969 0.619 -17.982 1.00 0.00 WT2 O ATOM 27362 H1 TIP3 465 73.145 0.470 -18.445 1.00 0.00 WT2 H ATOM 27363 H2 TIP3 465 74.642 0.538 -18.658 1.00 0.00 WT2 H ATOM 27364 OH2 TIP3 466 36.108 67.603 10.346 1.00 0.00 WT2 O ATOM 27365 H1 TIP3 466 36.874 67.336 9.837 1.00 0.00 WT2 H ATOM 27366 H2 TIP3 466 36.151 68.559 10.361 1.00 0.00 WT2 H ATOM 27367 OH2 TIP3 467 55.717 36.929 -5.028 1.00 0.00 WT2 O ATOM 27368 H1 TIP3 467 56.152 37.748 -5.267 1.00 0.00 WT2 H ATOM 27369 H2 TIP3 467 55.452 37.055 -4.117 1.00 0.00 WT2 H ATOM 27370 OH2 TIP3 468 37.560 66.257 25.319 1.00 0.00 WT2 O ATOM 27371 H1 TIP3 468 37.854 65.414 25.663 1.00 0.00 WT2 H ATOM 27372 H2 TIP3 468 38.304 66.582 24.813 1.00 0.00 WT2 H ATOM 27373 OH2 TIP3 469 24.318 71.773 49.872 1.00 0.00 WT2 O ATOM 27374 H1 TIP3 469 23.370 71.797 49.999 1.00 0.00 WT2 H ATOM 27375 H2 TIP3 469 24.446 72.055 48.966 1.00 0.00 WT2 H ATOM 27376 OH2 TIP3 470 51.786 72.131 -9.637 1.00 0.00 WT2 O ATOM 27377 H1 TIP3 470 51.156 72.451 -10.283 1.00 0.00 WT2 H ATOM 27378 H2 TIP3 470 51.910 72.866 -9.037 1.00 0.00 WT2 H ATOM 27379 OH2 TIP3 472 32.150 23.093 65.174 1.00 0.00 WT2 O ATOM 27380 H1 TIP3 472 32.257 22.214 65.536 1.00 0.00 WT2 H ATOM 27381 H2 TIP3 472 32.025 23.654 65.940 1.00 0.00 WT2 H ATOM 27382 OH2 TIP3 478 80.379 56.558 35.870 1.00 0.00 WT2 O ATOM 27383 H1 TIP3 478 80.880 57.121 35.281 1.00 0.00 WT2 H ATOM 27384 H2 TIP3 478 79.952 57.164 36.476 1.00 0.00 WT2 H ATOM 27385 OH2 TIP3 483 53.690 19.556 9.412 1.00 0.00 WT2 O ATOM 27386 H1 TIP3 483 54.085 20.391 9.662 1.00 0.00 WT2 H ATOM 27387 H2 TIP3 483 54.242 19.232 8.700 1.00 0.00 WT2 H ATOM 27388 OH2 TIP3 484 89.428 86.149 22.946 1.00 0.00 WT2 O ATOM 27389 H1 TIP3 484 90.311 85.823 22.775 1.00 0.00 WT2 H ATOM 27390 H2 TIP3 484 89.562 87.001 23.362 1.00 0.00 WT2 H ATOM 27391 OH2 TIP3 485 43.620 59.607 59.596 1.00 0.00 WT2 O ATOM 27392 H1 TIP3 485 42.829 59.075 59.515 1.00 0.00 WT2 H ATOM 27393 H2 TIP3 485 43.574 59.974 60.479 1.00 0.00 WT2 H ATOM 27394 OH2 TIP3 486 88.188 69.744 48.055 1.00 0.00 WT2 O ATOM 27395 H1 TIP3 486 87.436 69.441 48.564 1.00 0.00 WT2 H ATOM 27396 H2 TIP3 486 87.906 69.670 47.143 1.00 0.00 WT2 H ATOM 27397 OH2 TIP3 488 58.162 82.961 30.780 1.00 0.00 WT2 O ATOM 27398 H1 TIP3 488 57.310 83.395 30.745 1.00 0.00 WT2 H ATOM 27399 H2 TIP3 488 58.033 82.224 31.376 1.00 0.00 WT2 H ATOM 27400 OH2 TIP3 489 20.784 15.530 48.134 1.00 0.00 WT2 O ATOM 27401 H1 TIP3 489 20.308 14.729 47.915 1.00 0.00 WT2 H ATOM 27402 H2 TIP3 489 21.682 15.360 47.850 1.00 0.00 WT2 H ATOM 27403 OH2 TIP3 492 88.044 17.871 -15.908 1.00 0.00 WT2 O ATOM 27404 H1 TIP3 492 87.414 18.505 -15.566 1.00 0.00 WT2 H ATOM 27405 H2 TIP3 492 87.517 17.266 -16.430 1.00 0.00 WT2 H ATOM 27406 OH2 TIP3 503 86.951 36.806 8.514 1.00 0.00 WT2 O ATOM 27407 H1 TIP3 503 86.034 36.812 8.785 1.00 0.00 WT2 H ATOM 27408 H2 TIP3 503 87.298 35.982 8.857 1.00 0.00 WT2 H ATOM 27409 OH2 TIP3 506 28.555 36.315 -15.206 1.00 0.00 WT2 O ATOM 27410 H1 TIP3 506 28.204 36.940 -15.841 1.00 0.00 WT2 H ATOM 27411 H2 TIP3 506 29.319 35.937 -15.640 1.00 0.00 WT2 H ATOM 27412 OH2 TIP3 507 20.807 26.888 -13.684 1.00 0.00 WT2 O ATOM 27413 H1 TIP3 507 20.153 26.803 -14.377 1.00 0.00 WT2 H ATOM 27414 H2 TIP3 507 21.629 27.046 -14.149 1.00 0.00 WT2 H ATOM 27415 OH2 TIP3 508 61.884 96.106 2.734 1.00 0.00 WT2 O ATOM 27416 H1 TIP3 508 62.571 95.713 3.273 1.00 0.00 WT2 H ATOM 27417 H2 TIP3 508 61.948 95.651 1.894 1.00 0.00 WT2 H ATOM 27418 OH2 TIP3 509 64.714 96.125 -3.195 1.00 0.00 WT2 O ATOM 27419 H1 TIP3 509 65.037 95.226 -3.121 1.00 0.00 WT2 H ATOM 27420 H2 TIP3 509 65.498 96.648 -3.365 1.00 0.00 WT2 H ATOM 27421 OH2 TIP3 511 86.725 82.089 35.090 1.00 0.00 WT2 O ATOM 27422 H1 TIP3 511 86.683 81.133 35.118 1.00 0.00 WT2 H ATOM 27423 H2 TIP3 511 86.846 82.297 34.164 1.00 0.00 WT2 H ATOM 27424 OH2 TIP3 512 64.408 10.950 19.986 1.00 0.00 WT2 O ATOM 27425 H1 TIP3 512 64.661 10.335 20.674 1.00 0.00 WT2 H ATOM 27426 H2 TIP3 512 65.145 11.558 19.924 1.00 0.00 WT2 H ATOM 27427 OH2 TIP3 513 23.537 7.709 -3.956 1.00 0.00 WT2 O ATOM 27428 H1 TIP3 513 23.461 8.321 -4.688 1.00 0.00 WT2 H ATOM 27429 H2 TIP3 513 23.933 8.224 -3.253 1.00 0.00 WT2 H ATOM 27430 OH2 TIP3 517 26.168 5.368 14.380 1.00 0.00 WT2 O ATOM 27431 H1 TIP3 517 25.729 5.940 15.009 1.00 0.00 WT2 H ATOM 27432 H2 TIP3 517 26.599 5.967 13.770 1.00 0.00 WT2 H ATOM 27433 OH2 TIP3 528 54.424 50.474 43.958 1.00 0.00 WT2 O ATOM 27434 H1 TIP3 528 54.705 49.795 43.345 1.00 0.00 WT2 H ATOM 27435 H2 TIP3 528 54.865 50.254 44.778 1.00 0.00 WT2 H ATOM 27436 OH2 TIP3 529 38.337 9.884 0.821 1.00 0.00 WT2 O ATOM 27437 H1 TIP3 529 38.295 10.093 -0.112 1.00 0.00 WT2 H ATOM 27438 H2 TIP3 529 39.166 9.416 0.924 1.00 0.00 WT2 H ATOM 27439 OH2 TIP3 530 20.702 7.274 55.079 1.00 0.00 WT2 O ATOM 27440 H1 TIP3 530 19.819 7.607 54.919 1.00 0.00 WT2 H ATOM 27441 H2 TIP3 530 20.864 7.458 56.004 1.00 0.00 WT2 H ATOM 27442 OH2 TIP3 532 51.780 91.865 64.209 1.00 0.00 WT2 O ATOM 27443 H1 TIP3 532 51.777 90.963 64.529 1.00 0.00 WT2 H ATOM 27444 H2 TIP3 532 52.595 92.237 64.547 1.00 0.00 WT2 H ATOM 27445 OH2 TIP3 533 60.839 19.600 50.157 1.00 0.00 WT2 O ATOM 27446 H1 TIP3 533 61.585 19.315 49.630 1.00 0.00 WT2 H ATOM 27447 H2 TIP3 533 60.449 20.315 49.654 1.00 0.00 WT2 H ATOM 27448 OH2 TIP3 535 69.878 31.753 -4.369 1.00 0.00 WT2 O ATOM 27449 H1 TIP3 535 70.566 32.153 -4.900 1.00 0.00 WT2 H ATOM 27450 H2 TIP3 535 69.120 32.327 -4.485 1.00 0.00 WT2 H ATOM 27451 OH2 TIP3 543 57.973 14.279 34.672 1.00 0.00 WT2 O ATOM 27452 H1 TIP3 543 57.259 14.610 34.127 1.00 0.00 WT2 H ATOM 27453 H2 TIP3 543 58.504 13.750 34.078 1.00 0.00 WT2 H ATOM 27454 OH2 TIP3 547 83.764 74.114 7.210 1.00 0.00 WT2 O ATOM 27455 H1 TIP3 547 83.532 73.861 8.103 1.00 0.00 WT2 H ATOM 27456 H2 TIP3 547 84.709 73.973 7.158 1.00 0.00 WT2 H ATOM 27457 OH2 TIP3 549 81.190 61.301 34.233 1.00 0.00 WT2 O ATOM 27458 H1 TIP3 549 81.168 62.212 33.942 1.00 0.00 WT2 H ATOM 27459 H2 TIP3 549 80.966 61.340 35.163 1.00 0.00 WT2 H ATOM 27460 OH2 TIP3 550 75.223 73.119 39.967 1.00 0.00 WT2 O ATOM 27461 H1 TIP3 550 74.319 72.900 39.740 1.00 0.00 WT2 H ATOM 27462 H2 TIP3 550 75.750 72.459 39.516 1.00 0.00 WT2 H ATOM 27463 OH2 TIP3 551 48.475 96.014 62.970 1.00 0.00 WT2 O ATOM 27464 H1 TIP3 551 48.048 96.862 62.852 1.00 0.00 WT2 H ATOM 27465 H2 TIP3 551 47.791 95.447 63.326 1.00 0.00 WT2 H ATOM 27466 OH2 TIP3 554 31.117 15.285 -4.354 1.00 0.00 WT2 O ATOM 27467 H1 TIP3 554 30.942 14.506 -4.883 1.00 0.00 WT2 H ATOM 27468 H2 TIP3 554 31.039 14.982 -3.450 1.00 0.00 WT2 H ATOM 27469 OH2 TIP3 558 65.142 36.268 56.947 1.00 0.00 WT2 O ATOM 27470 H1 TIP3 558 65.120 36.953 57.615 1.00 0.00 WT2 H ATOM 27471 H2 TIP3 558 64.416 35.688 57.174 1.00 0.00 WT2 H ATOM 27472 OH2 TIP3 562 81.060 16.641 50.515 1.00 0.00 WT2 O ATOM 27473 H1 TIP3 562 80.123 16.465 50.602 1.00 0.00 WT2 H ATOM 27474 H2 TIP3 562 81.126 17.215 49.751 1.00 0.00 WT2 H ATOM 27475 OH2 TIP3 568 58.719 13.936 1.212 1.00 0.00 WT2 O ATOM 27476 H1 TIP3 568 58.163 13.202 0.950 1.00 0.00 WT2 H ATOM 27477 H2 TIP3 568 58.509 14.631 0.588 1.00 0.00 WT2 H ATOM 27478 OH2 TIP3 570 77.748 91.940 35.395 1.00 0.00 WT2 O ATOM 27479 H1 TIP3 570 77.437 91.648 34.538 1.00 0.00 WT2 H ATOM 27480 H2 TIP3 570 78.486 91.364 35.591 1.00 0.00 WT2 H ATOM 27481 OH2 TIP3 572 78.906 51.823 28.989 1.00 0.00 WT2 O ATOM 27482 H1 TIP3 572 78.087 51.486 28.628 1.00 0.00 WT2 H ATOM 27483 H2 TIP3 572 78.806 52.775 28.963 1.00 0.00 WT2 H ATOM 27484 OH2 TIP3 573 39.713 42.786 -19.230 1.00 0.00 WT2 O ATOM 27485 H1 TIP3 573 40.353 43.423 -18.914 1.00 0.00 WT2 H ATOM 27486 H2 TIP3 573 39.330 43.195 -20.006 1.00 0.00 WT2 H ATOM 27487 OH2 TIP3 574 25.005 3.366 39.294 1.00 0.00 WT2 O ATOM 27488 H1 TIP3 574 24.973 2.480 39.655 1.00 0.00 WT2 H ATOM 27489 H2 TIP3 574 24.446 3.330 38.518 1.00 0.00 WT2 H ATOM 27490 OH2 TIP3 575 67.089 32.230 35.265 1.00 0.00 WT2 O ATOM 27491 H1 TIP3 575 67.034 33.159 35.488 1.00 0.00 WT2 H ATOM 27492 H2 TIP3 575 66.386 32.094 34.629 1.00 0.00 WT2 H ATOM 27493 OH2 TIP3 584 50.349 63.777 59.592 1.00 0.00 WT2 O ATOM 27494 H1 TIP3 584 50.905 64.548 59.708 1.00 0.00 WT2 H ATOM 27495 H2 TIP3 584 50.774 63.278 58.894 1.00 0.00 WT2 H ATOM 27496 OH2 TIP3 588 24.764 92.514 60.475 1.00 0.00 WT2 O ATOM 27497 H1 TIP3 588 24.656 93.246 59.868 1.00 0.00 WT2 H ATOM 27498 H2 TIP3 588 24.675 92.906 61.343 1.00 0.00 WT2 H ATOM 27499 OH2 TIP3 591 25.868 14.030 66.101 1.00 0.00 WT2 O ATOM 27500 H1 TIP3 591 26.512 13.467 66.531 1.00 0.00 WT2 H ATOM 27501 H2 TIP3 591 25.177 14.147 66.753 1.00 0.00 WT2 H ATOM 27502 OH2 TIP3 592 42.223 41.463 62.414 1.00 0.00 WT2 O ATOM 27503 H1 TIP3 592 42.080 41.711 63.327 1.00 0.00 WT2 H ATOM 27504 H2 TIP3 592 41.635 42.031 61.916 1.00 0.00 WT2 H ATOM 27505 OH2 TIP3 593 38.850 41.158 33.393 1.00 0.00 WT2 O ATOM 27506 H1 TIP3 593 39.497 41.418 34.049 1.00 0.00 WT2 H ATOM 27507 H2 TIP3 593 39.250 41.395 32.556 1.00 0.00 WT2 H ATOM 27508 OH2 TIP3 594 64.579 78.319 -18.023 1.00 0.00 WT2 O ATOM 27509 H1 TIP3 594 64.857 77.872 -18.823 1.00 0.00 WT2 H ATOM 27510 H2 TIP3 594 63.927 78.955 -18.318 1.00 0.00 WT2 H ATOM 27511 OH2 TIP3 595 68.154 66.779 61.725 1.00 0.00 WT2 O ATOM 27512 H1 TIP3 595 67.874 66.983 62.617 1.00 0.00 WT2 H ATOM 27513 H2 TIP3 595 67.996 65.840 61.632 1.00 0.00 WT2 H ATOM 27514 OH2 TIP3 596 25.077 79.520 7.887 1.00 0.00 WT2 O ATOM 27515 H1 TIP3 596 25.025 78.964 8.664 1.00 0.00 WT2 H ATOM 27516 H2 TIP3 596 25.862 79.221 7.428 1.00 0.00 WT2 H ATOM 27517 OH2 TIP3 611 53.384 17.863 -7.467 1.00 0.00 WT2 O ATOM 27518 H1 TIP3 611 54.229 17.799 -7.021 1.00 0.00 WT2 H ATOM 27519 H2 TIP3 611 53.155 16.958 -7.678 1.00 0.00 WT2 H ATOM 27520 OH2 TIP3 612 61.761 67.200 32.721 1.00 0.00 WT2 O ATOM 27521 H1 TIP3 612 61.091 67.841 32.480 1.00 0.00 WT2 H ATOM 27522 H2 TIP3 612 62.100 66.882 31.884 1.00 0.00 WT2 H ATOM 27523 OH2 TIP3 613 25.902 8.880 46.202 1.00 0.00 WT2 O ATOM 27524 H1 TIP3 613 26.110 9.715 46.621 1.00 0.00 WT2 H ATOM 27525 H2 TIP3 613 26.466 8.851 45.430 1.00 0.00 WT2 H ATOM 27526 OH2 TIP3 616 54.345 88.181 65.229 1.00 0.00 WT2 O ATOM 27527 H1 TIP3 616 55.211 88.484 65.500 1.00 0.00 WT2 H ATOM 27528 H2 TIP3 616 54.509 87.653 64.448 1.00 0.00 WT2 H ATOM 27529 OH2 TIP3 617 61.142 28.365 48.708 1.00 0.00 WT2 O ATOM 27530 H1 TIP3 617 60.377 28.620 49.223 1.00 0.00 WT2 H ATOM 27531 H2 TIP3 617 61.064 27.415 48.617 1.00 0.00 WT2 H ATOM 27532 OH2 TIP3 619 37.803 25.589 17.895 1.00 0.00 WT2 O ATOM 27533 H1 TIP3 619 37.262 24.799 17.862 1.00 0.00 WT2 H ATOM 27534 H2 TIP3 619 37.761 25.945 17.008 1.00 0.00 WT2 H ATOM 27535 OH2 TIP3 632 79.259 22.855 -1.956 1.00 0.00 WT2 O ATOM 27536 H1 TIP3 632 80.182 23.108 -1.965 1.00 0.00 WT2 H ATOM 27537 H2 TIP3 632 78.809 23.606 -1.567 1.00 0.00 WT2 H ATOM 27538 OH2 TIP3 634 76.740 43.103 33.816 1.00 0.00 WT2 O ATOM 27539 H1 TIP3 634 76.051 43.489 33.275 1.00 0.00 WT2 H ATOM 27540 H2 TIP3 634 76.899 43.752 34.501 1.00 0.00 WT2 H ATOM 27541 OH2 TIP3 635 46.662 34.380 -11.228 1.00 0.00 WT2 O ATOM 27542 H1 TIP3 635 45.825 34.008 -11.505 1.00 0.00 WT2 H ATOM 27543 H2 TIP3 635 47.171 33.629 -10.924 1.00 0.00 WT2 H ATOM 27544 OH2 TIP3 638 25.976 42.726 39.349 1.00 0.00 WT2 O ATOM 27545 H1 TIP3 638 25.052 42.783 39.593 1.00 0.00 WT2 H ATOM 27546 H2 TIP3 638 25.998 42.998 38.431 1.00 0.00 WT2 H ATOM 27547 OH2 TIP3 640 36.703 17.322 31.788 1.00 0.00 WT2 O ATOM 27548 H1 TIP3 640 36.983 16.451 31.507 1.00 0.00 WT2 H ATOM 27549 H2 TIP3 640 35.984 17.545 31.198 1.00 0.00 WT2 H ATOM 27550 OH2 TIP3 653 43.698 34.391 -16.008 1.00 0.00 WT2 O ATOM 27551 H1 TIP3 653 43.876 34.433 -15.069 1.00 0.00 WT2 H ATOM 27552 H2 TIP3 653 44.508 34.693 -16.420 1.00 0.00 WT2 H ATOM 27553 OH2 TIP3 654 44.529 18.709 35.694 1.00 0.00 WT2 O ATOM 27554 H1 TIP3 654 44.745 18.489 34.787 1.00 0.00 WT2 H ATOM 27555 H2 TIP3 654 45.028 19.506 35.873 1.00 0.00 WT2 H ATOM 27556 OH2 TIP3 656 60.408 48.326 -0.211 1.00 0.00 WT2 O ATOM 27557 H1 TIP3 656 60.102 49.074 0.301 1.00 0.00 WT2 H ATOM 27558 H2 TIP3 656 61.158 47.990 0.280 1.00 0.00 WT2 H ATOM 27559 OH2 TIP3 657 43.510 48.986 43.343 1.00 0.00 WT2 O ATOM 27560 H1 TIP3 657 43.903 48.187 42.992 1.00 0.00 WT2 H ATOM 27561 H2 TIP3 657 42.570 48.873 43.201 1.00 0.00 WT2 H ATOM 27562 OH2 TIP3 659 78.686 72.582 27.306 1.00 0.00 WT2 O ATOM 27563 H1 TIP3 659 78.703 72.511 26.351 1.00 0.00 WT2 H ATOM 27564 H2 TIP3 659 79.177 71.819 27.612 1.00 0.00 WT2 H ATOM 27565 OH2 TIP3 660 33.616 54.948 43.103 1.00 0.00 WT2 O ATOM 27566 H1 TIP3 660 33.736 54.210 42.505 1.00 0.00 WT2 H ATOM 27567 H2 TIP3 660 34.505 55.237 43.310 1.00 0.00 WT2 H ATOM 27568 OH2 TIP3 672 49.948 31.751 50.065 1.00 0.00 WT2 O ATOM 27569 H1 TIP3 672 49.534 32.295 49.395 1.00 0.00 WT2 H ATOM 27570 H2 TIP3 672 50.739 32.232 50.310 1.00 0.00 WT2 H ATOM 27571 OH2 TIP3 674 76.739 68.490 58.698 1.00 0.00 WT2 O ATOM 27572 H1 TIP3 674 76.785 67.661 58.221 1.00 0.00 WT2 H ATOM 27573 H2 TIP3 674 75.802 68.677 58.764 1.00 0.00 WT2 H ATOM 27574 OH2 TIP3 675 78.086 51.901 13.721 1.00 0.00 WT2 O ATOM 27575 H1 TIP3 675 78.301 52.819 13.887 1.00 0.00 WT2 H ATOM 27576 H2 TIP3 675 77.467 51.929 12.991 1.00 0.00 WT2 H ATOM 27577 OH2 TIP3 676 20.664 36.878 52.417 1.00 0.00 WT2 O ATOM 27578 H1 TIP3 676 20.803 37.246 51.544 1.00 0.00 WT2 H ATOM 27579 H2 TIP3 676 20.167 37.550 52.884 1.00 0.00 WT2 H ATOM 27580 OH2 TIP3 677 34.847 74.226 5.962 1.00 0.00 WT2 O ATOM 27581 H1 TIP3 677 34.164 74.621 5.421 1.00 0.00 WT2 H ATOM 27582 H2 TIP3 677 34.964 74.839 6.688 1.00 0.00 WT2 H ATOM 27583 OH2 TIP3 680 75.519 29.450 3.704 1.00 0.00 WT2 O ATOM 27584 H1 TIP3 680 74.838 29.584 4.363 1.00 0.00 WT2 H ATOM 27585 H2 TIP3 680 76.259 29.089 4.194 1.00 0.00 WT2 H ATOM 27586 OH2 TIP3 682 44.274 12.902 49.309 1.00 0.00 WT2 O ATOM 27587 H1 TIP3 682 44.267 11.947 49.244 1.00 0.00 WT2 H ATOM 27588 H2 TIP3 682 44.131 13.204 48.412 1.00 0.00 WT2 H ATOM 27589 OH2 TIP3 683 80.382 43.635 -7.669 1.00 0.00 WT2 O ATOM 27590 H1 TIP3 683 80.693 43.840 -6.788 1.00 0.00 WT2 H ATOM 27591 H2 TIP3 683 79.873 44.403 -7.929 1.00 0.00 WT2 H ATOM 27592 OH2 TIP3 692 54.187 33.874 35.454 1.00 0.00 WT2 O ATOM 27593 H1 TIP3 692 53.244 34.002 35.346 1.00 0.00 WT2 H ATOM 27594 H2 TIP3 692 54.584 34.486 34.835 1.00 0.00 WT2 H ATOM 27595 OH2 TIP3 695 67.805 41.047 65.671 1.00 0.00 WT2 O ATOM 27596 H1 TIP3 695 68.165 41.306 64.823 1.00 0.00 WT2 H ATOM 27597 H2 TIP3 695 68.485 40.499 66.064 1.00 0.00 WT2 H ATOM 27598 OH2 TIP3 696 74.996 68.603 13.257 1.00 0.00 WT2 O ATOM 27599 H1 TIP3 696 74.713 68.059 13.993 1.00 0.00 WT2 H ATOM 27600 H2 TIP3 696 74.186 68.977 12.910 1.00 0.00 WT2 H ATOM 27601 OH2 TIP3 697 83.218 78.389 12.824 1.00 0.00 WT2 O ATOM 27602 H1 TIP3 697 82.418 78.365 13.348 1.00 0.00 WT2 H ATOM 27603 H2 TIP3 697 83.611 77.525 12.944 1.00 0.00 WT2 H ATOM 27604 OH2 TIP3 698 24.392 51.568 54.651 1.00 0.00 WT2 O ATOM 27605 H1 TIP3 698 24.360 52.475 54.956 1.00 0.00 WT2 H ATOM 27606 H2 TIP3 698 25.010 51.583 53.920 1.00 0.00 WT2 H ATOM 27607 OH2 TIP3 699 67.739 17.070 -4.047 1.00 0.00 WT2 O ATOM 27608 H1 TIP3 699 66.807 16.959 -3.856 1.00 0.00 WT2 H ATOM 27609 H2 TIP3 699 68.179 16.450 -3.466 1.00 0.00 WT2 H ATOM 27610 OH2 TIP3 715 33.711 0.242 14.104 1.00 0.00 WT2 O ATOM 27611 H1 TIP3 715 34.217 -0.566 14.018 1.00 0.00 WT2 H ATOM 27612 H2 TIP3 715 34.357 0.905 14.349 1.00 0.00 WT2 H ATOM 27613 OH2 TIP3 716 86.411 15.830 51.092 1.00 0.00 WT2 O ATOM 27614 H1 TIP3 716 85.542 16.157 50.861 1.00 0.00 WT2 H ATOM 27615 H2 TIP3 716 86.923 16.617 51.277 1.00 0.00 WT2 H ATOM 27616 OH2 TIP3 717 73.966 59.552 10.779 1.00 0.00 WT2 O ATOM 27617 H1 TIP3 717 73.325 59.842 10.130 1.00 0.00 WT2 H ATOM 27618 H2 TIP3 717 73.453 59.060 11.420 1.00 0.00 WT2 H ATOM 27619 OH2 TIP3 718 64.112 56.580 -0.461 1.00 0.00 WT2 O ATOM 27620 H1 TIP3 718 64.257 56.539 0.484 1.00 0.00 WT2 H ATOM 27621 H2 TIP3 718 63.454 57.265 -0.574 1.00 0.00 WT2 H ATOM 27622 OH2 TIP3 719 24.463 39.706 59.001 1.00 0.00 WT2 O ATOM 27623 H1 TIP3 719 24.981 40.279 59.565 1.00 0.00 WT2 H ATOM 27624 H2 TIP3 719 23.557 39.979 59.148 1.00 0.00 WT2 H ATOM 27625 OH2 TIP3 720 47.941 89.917 17.844 1.00 0.00 WT2 O ATOM 27626 H1 TIP3 720 48.170 90.683 17.317 1.00 0.00 WT2 H ATOM 27627 H2 TIP3 720 48.412 89.193 17.433 1.00 0.00 WT2 H ATOM 27628 OH2 TIP3 721 82.728 62.953 48.870 1.00 0.00 WT2 O ATOM 27629 H1 TIP3 721 82.638 62.147 48.362 1.00 0.00 WT2 H ATOM 27630 H2 TIP3 721 82.360 63.634 48.307 1.00 0.00 WT2 H ATOM 27631 OH2 TIP3 735 67.630 64.196 62.110 1.00 0.00 WT2 O ATOM 27632 H1 TIP3 735 68.085 64.150 62.951 1.00 0.00 WT2 H ATOM 27633 H2 TIP3 735 67.632 63.295 61.787 1.00 0.00 WT2 H ATOM 27634 OH2 TIP3 736 36.103 63.153 40.918 1.00 0.00 WT2 O ATOM 27635 H1 TIP3 736 36.363 62.669 40.134 1.00 0.00 WT2 H ATOM 27636 H2 TIP3 736 36.895 63.619 41.187 1.00 0.00 WT2 H ATOM 27637 OH2 TIP3 738 45.405 4.192 -6.970 1.00 0.00 WT2 O ATOM 27638 H1 TIP3 738 44.555 3.818 -6.738 1.00 0.00 WT2 H ATOM 27639 H2 TIP3 738 45.349 4.347 -7.913 1.00 0.00 WT2 H ATOM 27640 OH2 TIP3 739 34.186 64.506 61.361 1.00 0.00 WT2 O ATOM 27641 H1 TIP3 739 34.514 64.805 60.513 1.00 0.00 WT2 H ATOM 27642 H2 TIP3 739 34.973 64.288 61.860 1.00 0.00 WT2 H ATOM 27643 OH2 TIP3 740 46.935 37.982 36.419 1.00 0.00 WT2 O ATOM 27644 H1 TIP3 740 46.972 38.817 35.954 1.00 0.00 WT2 H ATOM 27645 H2 TIP3 740 47.037 37.321 35.734 1.00 0.00 WT2 H ATOM 27646 OH2 TIP3 741 25.686 15.727 -9.643 1.00 0.00 WT2 O ATOM 27647 H1 TIP3 741 26.123 15.087 -10.204 1.00 0.00 WT2 H ATOM 27648 H2 TIP3 741 25.069 16.174 -10.224 1.00 0.00 WT2 H ATOM 27649 OH2 TIP3 744 32.668 67.943 3.244 1.00 0.00 WT2 O ATOM 27650 H1 TIP3 744 33.521 67.673 3.584 1.00 0.00 WT2 H ATOM 27651 H2 TIP3 744 32.721 68.897 3.193 1.00 0.00 WT2 H ATOM 27652 OH2 TIP3 746 21.558 73.436 51.952 1.00 0.00 WT2 O ATOM 27653 H1 TIP3 746 21.637 72.504 51.750 1.00 0.00 WT2 H ATOM 27654 H2 TIP3 746 21.340 73.846 51.115 1.00 0.00 WT2 H ATOM 27655 OH2 TIP3 757 54.811 14.730 26.567 1.00 0.00 WT2 O ATOM 27656 H1 TIP3 757 54.567 15.395 25.923 1.00 0.00 WT2 H ATOM 27657 H2 TIP3 757 54.528 13.903 26.176 1.00 0.00 WT2 H ATOM 27658 OH2 TIP3 758 22.791 94.597 6.075 1.00 0.00 WT2 O ATOM 27659 H1 TIP3 758 23.323 95.102 6.690 1.00 0.00 WT2 H ATOM 27660 H2 TIP3 758 23.054 94.914 5.212 1.00 0.00 WT2 H ATOM 27661 OH2 TIP3 759 22.597 3.868 62.325 1.00 0.00 WT2 O ATOM 27662 H1 TIP3 759 23.272 4.022 61.664 1.00 0.00 WT2 H ATOM 27663 H2 TIP3 759 21.828 3.596 61.824 1.00 0.00 WT2 H ATOM 27664 OH2 TIP3 760 37.470 28.321 3.705 1.00 0.00 WT2 O ATOM 27665 H1 TIP3 760 38.139 28.237 3.026 1.00 0.00 WT2 H ATOM 27666 H2 TIP3 760 37.923 28.736 4.439 1.00 0.00 WT2 H ATOM 27667 OH2 TIP3 765 88.705 58.395 61.921 1.00 0.00 WT2 O ATOM 27668 H1 TIP3 765 89.075 58.372 62.804 1.00 0.00 WT2 H ATOM 27669 H2 TIP3 765 89.309 57.873 61.394 1.00 0.00 WT2 H ATOM 27670 OH2 TIP3 766 64.351 9.832 -19.487 1.00 0.00 WT2 O ATOM 27671 H1 TIP3 766 64.568 9.511 -18.612 1.00 0.00 WT2 H ATOM 27672 H2 TIP3 766 64.604 10.755 -19.474 1.00 0.00 WT2 H ATOM 27673 OH2 TIP3 776 63.599 46.816 32.080 1.00 0.00 WT2 O ATOM 27674 H1 TIP3 776 63.627 45.909 31.775 1.00 0.00 WT2 H ATOM 27675 H2 TIP3 776 63.330 47.319 31.312 1.00 0.00 WT2 H ATOM 27676 OH2 TIP3 778 86.511 77.042 46.203 1.00 0.00 WT2 O ATOM 27677 H1 TIP3 778 85.748 77.333 45.702 1.00 0.00 WT2 H ATOM 27678 H2 TIP3 778 86.265 77.183 47.117 1.00 0.00 WT2 H ATOM 27679 OH2 TIP3 780 80.255 63.727 62.650 1.00 0.00 WT2 O ATOM 27680 H1 TIP3 780 80.043 62.794 62.675 1.00 0.00 WT2 H ATOM 27681 H2 TIP3 780 80.582 63.922 63.528 1.00 0.00 WT2 H ATOM 27682 OH2 TIP3 781 78.082 61.965 33.027 1.00 0.00 WT2 O ATOM 27683 H1 TIP3 781 77.438 61.726 33.694 1.00 0.00 WT2 H ATOM 27684 H2 TIP3 781 78.616 61.179 32.917 1.00 0.00 WT2 H ATOM 27685 OH2 TIP3 782 77.279 65.585 54.173 1.00 0.00 WT2 O ATOM 27686 H1 TIP3 782 78.141 65.185 54.282 1.00 0.00 WT2 H ATOM 27687 H2 TIP3 782 76.722 64.873 53.859 1.00 0.00 WT2 H ATOM 27688 OH2 TIP3 783 45.088 63.257 3.668 1.00 0.00 WT2 O ATOM 27689 H1 TIP3 783 44.343 62.878 4.134 1.00 0.00 WT2 H ATOM 27690 H2 TIP3 783 45.532 63.796 4.322 1.00 0.00 WT2 H ATOM 27691 OH2 TIP3 784 61.607 89.241 -9.437 1.00 0.00 WT2 O ATOM 27692 H1 TIP3 784 60.799 89.550 -9.025 1.00 0.00 WT2 H ATOM 27693 H2 TIP3 784 62.016 88.685 -8.774 1.00 0.00 WT2 H ATOM 27694 OH2 TIP3 785 66.724 51.523 61.353 1.00 0.00 WT2 O ATOM 27695 H1 TIP3 785 66.192 52.209 61.756 1.00 0.00 WT2 H ATOM 27696 H2 TIP3 785 66.434 51.498 60.442 1.00 0.00 WT2 H ATOM 27697 OH2 TIP3 801 90.706 24.779 47.272 1.00 0.00 WT2 O ATOM 27698 H1 TIP3 801 89.982 24.345 46.819 1.00 0.00 WT2 H ATOM 27699 H2 TIP3 801 91.015 24.131 47.905 1.00 0.00 WT2 H ATOM 27700 OH2 TIP3 802 88.579 46.333 63.697 1.00 0.00 WT2 O ATOM 27701 H1 TIP3 802 87.631 46.256 63.800 1.00 0.00 WT2 H ATOM 27702 H2 TIP3 802 88.888 46.654 64.544 1.00 0.00 WT2 H ATOM 27703 OH2 TIP3 803 22.519 57.184 10.377 1.00 0.00 WT2 O ATOM 27704 H1 TIP3 803 22.676 56.454 9.779 1.00 0.00 WT2 H ATOM 27705 H2 TIP3 803 23.335 57.270 10.870 1.00 0.00 WT2 H ATOM 27706 OH2 TIP3 804 34.572 26.627 -16.303 1.00 0.00 WT2 O ATOM 27707 H1 TIP3 804 34.554 27.486 -15.882 1.00 0.00 WT2 H ATOM 27708 H2 TIP3 804 34.501 26.816 -17.239 1.00 0.00 WT2 H ATOM 27709 OH2 TIP3 805 63.092 83.286 60.352 1.00 0.00 WT2 O ATOM 27710 H1 TIP3 805 62.362 83.740 60.772 1.00 0.00 WT2 H ATOM 27711 H2 TIP3 805 63.526 83.961 59.830 1.00 0.00 WT2 H ATOM 27712 OH2 TIP3 807 88.894 64.734 -17.119 1.00 0.00 WT2 O ATOM 27713 H1 TIP3 807 88.050 65.171 -17.231 1.00 0.00 WT2 H ATOM 27714 H2 TIP3 807 89.334 64.842 -17.962 1.00 0.00 WT2 H ATOM 27715 OH2 TIP3 809 61.964 29.089 -13.115 1.00 0.00 WT2 O ATOM 27716 H1 TIP3 809 62.694 28.680 -12.650 1.00 0.00 WT2 H ATOM 27717 H2 TIP3 809 61.408 29.444 -12.422 1.00 0.00 WT2 H ATOM 27718 OH2 TIP3 817 47.711 29.915 40.383 1.00 0.00 WT2 O ATOM 27719 H1 TIP3 817 46.757 29.907 40.311 1.00 0.00 WT2 H ATOM 27720 H2 TIP3 817 47.928 30.822 40.598 1.00 0.00 WT2 H ATOM 27721 OH2 TIP3 822 40.683 18.113 35.558 1.00 0.00 WT2 O ATOM 27722 H1 TIP3 822 41.224 17.325 35.527 1.00 0.00 WT2 H ATOM 27723 H2 TIP3 822 40.679 18.437 34.657 1.00 0.00 WT2 H ATOM 27724 OH2 TIP3 823 63.214 16.382 27.163 1.00 0.00 WT2 O ATOM 27725 H1 TIP3 823 63.261 16.646 28.082 1.00 0.00 WT2 H ATOM 27726 H2 TIP3 823 62.772 17.110 26.726 1.00 0.00 WT2 H ATOM 27727 OH2 TIP3 824 73.148 34.927 14.389 1.00 0.00 WT2 O ATOM 27728 H1 TIP3 824 72.245 34.644 14.529 1.00 0.00 WT2 H ATOM 27729 H2 TIP3 824 73.662 34.398 14.999 1.00 0.00 WT2 H ATOM 27730 OH2 TIP3 826 77.918 47.859 -5.952 1.00 0.00 WT2 O ATOM 27731 H1 TIP3 826 77.091 48.342 -5.945 1.00 0.00 WT2 H ATOM 27732 H2 TIP3 826 78.497 48.366 -5.383 1.00 0.00 WT2 H ATOM 27733 OH2 TIP3 843 80.401 28.732 9.000 1.00 0.00 WT2 O ATOM 27734 H1 TIP3 843 81.010 28.264 8.429 1.00 0.00 WT2 H ATOM 27735 H2 TIP3 843 80.150 28.089 9.663 1.00 0.00 WT2 H ATOM 27736 OH2 TIP3 845 44.485 12.205 59.860 1.00 0.00 WT2 O ATOM 27737 H1 TIP3 845 43.543 12.042 59.906 1.00 0.00 WT2 H ATOM 27738 H2 TIP3 845 44.763 11.778 59.050 1.00 0.00 WT2 H ATOM 27739 OH2 TIP3 846 59.692 78.891 34.932 1.00 0.00 WT2 O ATOM 27740 H1 TIP3 846 59.438 78.104 35.415 1.00 0.00 WT2 H ATOM 27741 H2 TIP3 846 60.112 78.559 34.138 1.00 0.00 WT2 H ATOM 27742 OH2 TIP3 847 50.055 68.060 27.208 1.00 0.00 WT2 O ATOM 27743 H1 TIP3 847 50.109 67.182 27.585 1.00 0.00 WT2 H ATOM 27744 H2 TIP3 847 49.776 67.916 26.304 1.00 0.00 WT2 H ATOM 27745 OH2 TIP3 848 25.984 7.576 16.070 1.00 0.00 WT2 O ATOM 27746 H1 TIP3 848 26.538 8.286 15.745 1.00 0.00 WT2 H ATOM 27747 H2 TIP3 848 26.534 7.111 16.700 1.00 0.00 WT2 H ATOM 27748 OH2 TIP3 849 77.238 83.066 26.904 1.00 0.00 WT2 O ATOM 27749 H1 TIP3 849 76.596 83.753 26.725 1.00 0.00 WT2 H ATOM 27750 H2 TIP3 849 76.798 82.481 27.520 1.00 0.00 WT2 H ATOM 27751 OH2 TIP3 862 81.668 56.895 8.351 1.00 0.00 WT2 O ATOM 27752 H1 TIP3 862 80.785 56.526 8.383 1.00 0.00 WT2 H ATOM 27753 H2 TIP3 862 82.163 56.390 8.997 1.00 0.00 WT2 H ATOM 27754 OH2 TIP3 865 42.135 41.490 37.432 1.00 0.00 WT2 O ATOM 27755 H1 TIP3 865 41.918 41.155 36.562 1.00 0.00 WT2 H ATOM 27756 H2 TIP3 865 42.461 42.376 37.273 1.00 0.00 WT2 H ATOM 27757 OH2 TIP3 866 26.283 91.742 7.721 1.00 0.00 WT2 O ATOM 27758 H1 TIP3 866 25.416 91.929 7.361 1.00 0.00 WT2 H ATOM 27759 H2 TIP3 866 26.156 91.754 8.670 1.00 0.00 WT2 H ATOM 27760 OH2 TIP3 867 29.392 78.358 59.871 1.00 0.00 WT2 O ATOM 27761 H1 TIP3 867 29.944 78.496 59.102 1.00 0.00 WT2 H ATOM 27762 H2 TIP3 867 29.986 78.001 60.532 1.00 0.00 WT2 H ATOM 27763 OH2 TIP3 883 87.763 54.868 -2.872 1.00 0.00 WT2 O ATOM 27764 H1 TIP3 883 87.773 53.920 -2.737 1.00 0.00 WT2 H ATOM 27765 H2 TIP3 883 88.191 55.226 -2.094 1.00 0.00 WT2 H ATOM 27766 OH2 TIP3 885 66.072 34.777 61.753 1.00 0.00 WT2 O ATOM 27767 H1 TIP3 885 65.374 34.224 62.104 1.00 0.00 WT2 H ATOM 27768 H2 TIP3 885 65.775 35.010 60.874 1.00 0.00 WT2 H ATOM 27769 OH2 TIP3 887 39.573 3.912 33.001 1.00 0.00 WT2 O ATOM 27770 H1 TIP3 887 40.327 3.653 32.471 1.00 0.00 WT2 H ATOM 27771 H2 TIP3 887 39.726 3.502 33.852 1.00 0.00 WT2 H ATOM 27772 OH2 TIP3 888 35.332 3.666 5.941 1.00 0.00 WT2 O ATOM 27773 H1 TIP3 888 34.459 3.437 5.621 1.00 0.00 WT2 H ATOM 27774 H2 TIP3 888 35.532 2.996 6.594 1.00 0.00 WT2 H ATOM 27775 OH2 TIP3 891 31.110 50.398 59.645 1.00 0.00 WT2 O ATOM 27776 H1 TIP3 891 30.940 51.337 59.566 1.00 0.00 WT2 H ATOM 27777 H2 TIP3 891 30.753 50.160 60.500 1.00 0.00 WT2 H ATOM 27778 OH2 TIP3 905 24.016 39.634 51.060 1.00 0.00 WT2 O ATOM 27779 H1 TIP3 905 23.603 39.650 51.924 1.00 0.00 WT2 H ATOM 27780 H2 TIP3 905 24.646 38.915 51.109 1.00 0.00 WT2 H ATOM 27781 OH2 TIP3 906 36.140 36.351 5.148 1.00 0.00 WT2 O ATOM 27782 H1 TIP3 906 36.694 35.575 5.226 1.00 0.00 WT2 H ATOM 27783 H2 TIP3 906 36.402 36.907 5.882 1.00 0.00 WT2 H ATOM 27784 OH2 TIP3 907 76.771 60.021 -4.178 1.00 0.00 WT2 O ATOM 27785 H1 TIP3 907 76.342 60.536 -4.861 1.00 0.00 WT2 H ATOM 27786 H2 TIP3 907 77.594 59.734 -4.575 1.00 0.00 WT2 H ATOM 27787 OH2 TIP3 908 59.147 20.416 57.401 1.00 0.00 WT2 O ATOM 27788 H1 TIP3 908 60.075 20.243 57.244 1.00 0.00 WT2 H ATOM 27789 H2 TIP3 908 59.019 21.319 57.109 1.00 0.00 WT2 H ATOM 27790 OH2 TIP3 909 40.156 84.232 -10.973 1.00 0.00 WT2 O ATOM 27791 H1 TIP3 909 39.795 85.115 -10.895 1.00 0.00 WT2 H ATOM 27792 H2 TIP3 909 40.170 83.898 -10.076 1.00 0.00 WT2 H ATOM 27793 OH2 TIP3 910 59.620 21.439 9.858 1.00 0.00 WT2 O ATOM 27794 H1 TIP3 910 58.864 21.724 10.370 1.00 0.00 WT2 H ATOM 27795 H2 TIP3 910 59.243 21.026 9.081 1.00 0.00 WT2 H ATOM 27796 OH2 TIP3 912 48.645 6.603 63.643 1.00 0.00 WT2 O ATOM 27797 H1 TIP3 912 48.299 6.391 64.510 1.00 0.00 WT2 H ATOM 27798 H2 TIP3 912 49.434 6.067 63.561 1.00 0.00 WT2 H ATOM 27799 OH2 TIP3 913 81.757 83.243 43.765 1.00 0.00 WT2 O ATOM 27800 H1 TIP3 913 81.592 83.571 42.880 1.00 0.00 WT2 H ATOM 27801 H2 TIP3 913 82.348 82.501 43.639 1.00 0.00 WT2 H ATOM 27802 OH2 TIP3 924 86.808 23.086 48.561 1.00 0.00 WT2 O ATOM 27803 H1 TIP3 924 86.786 22.139 48.426 1.00 0.00 WT2 H ATOM 27804 H2 TIP3 924 86.205 23.239 49.289 1.00 0.00 WT2 H ATOM 27805 OH2 TIP3 925 25.132 28.717 6.609 1.00 0.00 WT2 O ATOM 27806 H1 TIP3 925 24.959 29.425 7.229 1.00 0.00 WT2 H ATOM 27807 H2 TIP3 925 24.266 28.374 6.389 1.00 0.00 WT2 H ATOM 27808 OH2 TIP3 926 31.584 65.750 11.043 1.00 0.00 WT2 O ATOM 27809 H1 TIP3 926 32.367 66.078 10.601 1.00 0.00 WT2 H ATOM 27810 H2 TIP3 926 31.292 65.017 10.501 1.00 0.00 WT2 H ATOM 27811 OH2 TIP3 927 85.100 31.032 34.647 1.00 0.00 WT2 O ATOM 27812 H1 TIP3 927 84.243 31.077 34.223 1.00 0.00 WT2 H ATOM 27813 H2 TIP3 927 84.918 31.185 35.574 1.00 0.00 WT2 H ATOM 27814 OH2 TIP3 928 73.080 57.216 12.307 1.00 0.00 WT2 O ATOM 27815 H1 TIP3 928 72.398 57.488 12.921 1.00 0.00 WT2 H ATOM 27816 H2 TIP3 928 73.740 56.790 12.853 1.00 0.00 WT2 H ATOM 27817 OH2 TIP3 929 26.342 12.080 30.885 1.00 0.00 WT2 O ATOM 27818 H1 TIP3 929 27.038 11.440 31.034 1.00 0.00 WT2 H ATOM 27819 H2 TIP3 929 26.629 12.573 30.116 1.00 0.00 WT2 H ATOM 27820 OH2 TIP3 930 80.605 38.661 34.125 1.00 0.00 WT2 O ATOM 27821 H1 TIP3 930 80.258 38.325 34.951 1.00 0.00 WT2 H ATOM 27822 H2 TIP3 930 81.531 38.826 34.303 1.00 0.00 WT2 H ATOM 27823 OH2 TIP3 932 55.530 43.981 32.071 1.00 0.00 WT2 O ATOM 27824 H1 TIP3 932 55.597 43.282 31.421 1.00 0.00 WT2 H ATOM 27825 H2 TIP3 932 55.628 44.789 31.566 1.00 0.00 WT2 H ATOM 27826 OH2 TIP3 942 60.938 68.144 -16.489 1.00 0.00 WT2 O ATOM 27827 H1 TIP3 942 61.884 68.002 -16.470 1.00 0.00 WT2 H ATOM 27828 H2 TIP3 942 60.562 67.268 -16.403 1.00 0.00 WT2 H ATOM 27829 OH2 TIP3 947 68.621 64.855 -17.898 1.00 0.00 WT2 O ATOM 27830 H1 TIP3 947 68.255 65.581 -18.402 1.00 0.00 WT2 H ATOM 27831 H2 TIP3 947 67.996 64.718 -17.185 1.00 0.00 WT2 H ATOM 27832 OH2 TIP3 948 23.397 3.381 37.021 1.00 0.00 WT2 O ATOM 27833 H1 TIP3 948 23.857 3.901 36.362 1.00 0.00 WT2 H ATOM 27834 H2 TIP3 948 22.777 3.992 37.419 1.00 0.00 WT2 H ATOM 27835 OH2 TIP3 950 41.153 25.556 56.464 1.00 0.00 WT2 O ATOM 27836 H1 TIP3 950 41.072 24.635 56.715 1.00 0.00 WT2 H ATOM 27837 H2 TIP3 950 41.144 26.032 57.294 1.00 0.00 WT2 H ATOM 27838 OH2 TIP3 951 74.304 69.277 57.192 1.00 0.00 WT2 O ATOM 27839 H1 TIP3 951 74.077 68.996 56.305 1.00 0.00 WT2 H ATOM 27840 H2 TIP3 951 73.852 68.656 57.763 1.00 0.00 WT2 H ATOM 27841 OH2 TIP3 952 82.929 54.359 60.459 1.00 0.00 WT2 O ATOM 27842 H1 TIP3 952 82.539 55.219 60.616 1.00 0.00 WT2 H ATOM 27843 H2 TIP3 952 83.561 54.508 59.756 1.00 0.00 WT2 H ATOM 27844 OH2 TIP3 953 81.073 4.873 57.511 1.00 0.00 WT2 O ATOM 27845 H1 TIP3 953 81.654 5.499 57.943 1.00 0.00 WT2 H ATOM 27846 H2 TIP3 953 81.628 4.438 56.864 1.00 0.00 WT2 H ATOM 27847 OH2 TIP3 956 55.960 45.249 54.429 1.00 0.00 WT2 O ATOM 27848 H1 TIP3 956 56.008 44.416 54.900 1.00 0.00 WT2 H ATOM 27849 H2 TIP3 956 55.083 45.582 54.620 1.00 0.00 WT2 H ATOM 27850 OH2 TIP3 964 24.828 40.361 56.395 1.00 0.00 WT2 O ATOM 27851 H1 TIP3 964 24.031 40.868 56.243 1.00 0.00 WT2 H ATOM 27852 H2 TIP3 964 24.769 40.088 57.310 1.00 0.00 WT2 H ATOM 27853 OH2 TIP3 968 24.837 79.171 4.103 1.00 0.00 WT2 O ATOM 27854 H1 TIP3 968 23.911 79.371 3.966 1.00 0.00 WT2 H ATOM 27855 H2 TIP3 968 25.104 78.715 3.304 1.00 0.00 WT2 H ATOM 27856 OH2 TIP3 969 37.125 87.925 -8.763 1.00 0.00 WT2 O ATOM 27857 H1 TIP3 969 36.319 87.602 -8.360 1.00 0.00 WT2 H ATOM 27858 H2 TIP3 969 36.896 88.795 -9.092 1.00 0.00 WT2 H ATOM 27859 OH2 TIP3 970 35.501 17.969 40.626 1.00 0.00 WT2 O ATOM 27860 H1 TIP3 970 35.449 17.198 40.060 1.00 0.00 WT2 H ATOM 27861 H2 TIP3 970 35.215 18.694 40.071 1.00 0.00 WT2 H ATOM 27862 OH2 TIP3 972 88.574 72.102 -11.663 1.00 0.00 WT2 O ATOM 27863 H1 TIP3 972 88.913 71.407 -11.098 1.00 0.00 WT2 H ATOM 27864 H2 TIP3 972 88.656 72.899 -11.139 1.00 0.00 WT2 H ATOM 27865 OH2 TIP3 974 55.148 38.418 57.010 1.00 0.00 WT2 O ATOM 27866 H1 TIP3 974 54.538 39.093 57.306 1.00 0.00 WT2 H ATOM 27867 H2 TIP3 974 54.597 37.655 56.835 1.00 0.00 WT2 H ATOM 27868 OH2 TIP3 985 66.659 33.140 29.078 1.00 0.00 WT2 O ATOM 27869 H1 TIP3 985 66.012 33.225 28.378 1.00 0.00 WT2 H ATOM 27870 H2 TIP3 985 66.220 33.488 29.854 1.00 0.00 WT2 H ATOM 27871 OH2 TIP3 987 66.452 17.069 51.859 1.00 0.00 WT2 O ATOM 27872 H1 TIP3 987 65.787 17.653 51.494 1.00 0.00 WT2 H ATOM 27873 H2 TIP3 987 66.012 16.222 51.935 1.00 0.00 WT2 H ATOM 27874 OH2 TIP3 988 69.923 23.993 11.046 1.00 0.00 WT2 O ATOM 27875 H1 TIP3 988 68.978 24.063 10.914 1.00 0.00 WT2 H ATOM 27876 H2 TIP3 988 70.127 24.674 11.686 1.00 0.00 WT2 H ATOM 27877 OH2 TIP3 989 32.549 77.678 50.218 1.00 0.00 WT2 O ATOM 27878 H1 TIP3 989 32.167 76.802 50.164 1.00 0.00 WT2 H ATOM 27879 H2 TIP3 989 33.411 77.590 49.812 1.00 0.00 WT2 H ATOM 27880 OH2 TIP3 990 53.750 88.730 9.150 1.00 0.00 WT2 O ATOM 27881 H1 TIP3 990 53.475 88.789 10.065 1.00 0.00 WT2 H ATOM 27882 H2 TIP3 990 53.670 87.801 8.934 1.00 0.00 WT2 H ATOM 27883 OH2 TIP3 991 59.350 78.884 62.020 1.00 0.00 WT2 O ATOM 27884 H1 TIP3 991 60.239 79.236 61.986 1.00 0.00 WT2 H ATOM 27885 H2 TIP3 991 59.452 77.954 61.818 1.00 0.00 WT2 H ATOM 27886 OH2 TIP3 992 25.242 9.257 -8.041 1.00 0.00 WT2 O ATOM 27887 H1 TIP3 992 25.763 9.040 -7.268 1.00 0.00 WT2 H ATOM 27888 H2 TIP3 992 24.338 9.274 -7.725 1.00 0.00 WT2 H ATOM 27889 OH2 TIP3 995 54.577 93.865 59.347 1.00 0.00 WT2 O ATOM 27890 H1 TIP3 995 53.931 93.622 58.683 1.00 0.00 WT2 H ATOM 27891 H2 TIP3 995 55.421 93.783 58.901 1.00 0.00 WT2 H ATOM 27892 OH2 TIP3 1007 50.860 83.907 -2.596 1.00 0.00 WT2 O ATOM 27893 H1 TIP3 1007 51.139 83.445 -3.387 1.00 0.00 WT2 H ATOM 27894 H2 TIP3 1007 51.158 83.351 -1.876 1.00 0.00 WT2 H ATOM 27895 OH2 TIP3 1010 89.881 76.812 -17.938 1.00 0.00 WT2 O ATOM 27896 H1 TIP3 1010 90.052 76.898 -18.876 1.00 0.00 WT2 H ATOM 27897 H2 TIP3 1010 88.976 76.506 -17.886 1.00 0.00 WT2 H ATOM 27898 OH2 TIP3 1011 23.020 21.246 -4.091 1.00 0.00 WT2 O ATOM 27899 H1 TIP3 1011 23.101 22.200 -4.083 1.00 0.00 WT2 H ATOM 27900 H2 TIP3 1011 23.381 20.967 -3.249 1.00 0.00 WT2 H ATOM 27901 OH2 TIP3 1013 29.691 77.146 -7.415 1.00 0.00 WT2 O ATOM 27902 H1 TIP3 1013 29.076 77.864 -7.565 1.00 0.00 WT2 H ATOM 27903 H2 TIP3 1013 29.519 76.866 -6.516 1.00 0.00 WT2 H ATOM 27904 OH2 TIP3 1014 20.399 12.567 -0.735 1.00 0.00 WT2 O ATOM 27905 H1 TIP3 1014 21.159 12.700 -1.301 1.00 0.00 WT2 H ATOM 27906 H2 TIP3 1014 20.141 11.658 -0.887 1.00 0.00 WT2 H ATOM 27907 OH2 TIP3 1017 90.225 17.228 38.703 1.00 0.00 WT2 O ATOM 27908 H1 TIP3 1017 90.474 18.121 38.466 1.00 0.00 WT2 H ATOM 27909 H2 TIP3 1017 90.981 16.887 39.181 1.00 0.00 WT2 H ATOM 27910 OH2 TIP3 1018 30.110 32.756 64.100 1.00 0.00 WT2 O ATOM 27911 H1 TIP3 1018 29.855 33.174 63.277 1.00 0.00 WT2 H ATOM 27912 H2 TIP3 1018 29.550 31.982 64.160 1.00 0.00 WT2 H ATOM 27913 OH2 TIP3 1027 39.916 26.573 35.832 1.00 0.00 WT2 O ATOM 27914 H1 TIP3 1027 39.402 27.356 36.030 1.00 0.00 WT2 H ATOM 27915 H2 TIP3 1027 40.732 26.909 35.461 1.00 0.00 WT2 H ATOM 27916 OH2 TIP3 1032 53.589 5.943 -9.405 1.00 0.00 WT2 O ATOM 27917 H1 TIP3 1032 53.473 6.329 -10.273 1.00 0.00 WT2 H ATOM 27918 H2 TIP3 1032 54.015 5.102 -9.571 1.00 0.00 WT2 H ATOM 27919 OH2 TIP3 1033 28.933 37.256 25.251 1.00 0.00 WT2 O ATOM 27920 H1 TIP3 1033 29.327 37.406 24.391 1.00 0.00 WT2 H ATOM 27921 H2 TIP3 1033 28.719 36.323 25.256 1.00 0.00 WT2 H ATOM 27922 OH2 TIP3 1040 24.190 1.402 30.354 1.00 0.00 WT2 O ATOM 27923 H1 TIP3 1040 23.289 1.154 30.146 1.00 0.00 WT2 H ATOM 27924 H2 TIP3 1040 24.143 1.756 31.242 1.00 0.00 WT2 H ATOM 27925 OH2 TIP3 1051 39.222 26.036 6.783 1.00 0.00 WT2 O ATOM 27926 H1 TIP3 1051 38.388 26.104 6.318 1.00 0.00 WT2 H ATOM 27927 H2 TIP3 1051 39.047 26.409 7.647 1.00 0.00 WT2 H ATOM 27928 OH2 TIP3 1053 89.902 95.002 61.603 1.00 0.00 WT2 O ATOM 27929 H1 TIP3 1053 89.877 94.494 60.792 1.00 0.00 WT2 H ATOM 27930 H2 TIP3 1053 90.830 95.197 61.735 1.00 0.00 WT2 H ATOM 27931 OH2 TIP3 1054 34.771 25.340 11.812 1.00 0.00 WT2 O ATOM 27932 H1 TIP3 1054 35.443 24.720 12.093 1.00 0.00 WT2 H ATOM 27933 H2 TIP3 1054 34.389 25.667 12.627 1.00 0.00 WT2 H ATOM 27934 OH2 TIP3 1055 57.788 59.809 52.193 1.00 0.00 WT2 O ATOM 27935 H1 TIP3 1055 57.961 58.958 51.791 1.00 0.00 WT2 H ATOM 27936 H2 TIP3 1055 57.729 59.624 53.130 1.00 0.00 WT2 H ATOM 27937 OH2 TIP3 1058 57.399 88.428 24.156 1.00 0.00 WT2 O ATOM 27938 H1 TIP3 1058 57.700 87.625 24.581 1.00 0.00 WT2 H ATOM 27939 H2 TIP3 1058 56.684 88.145 23.585 1.00 0.00 WT2 H ATOM 27940 OH2 TIP3 1059 36.191 81.355 51.202 1.00 0.00 WT2 O ATOM 27941 H1 TIP3 1059 36.437 81.719 52.052 1.00 0.00 WT2 H ATOM 27942 H2 TIP3 1059 35.359 81.779 50.991 1.00 0.00 WT2 H ATOM 27943 OH2 TIP3 1072 79.587 35.868 27.240 1.00 0.00 WT2 O ATOM 27944 H1 TIP3 1072 79.675 36.586 27.868 1.00 0.00 WT2 H ATOM 27945 H2 TIP3 1072 80.224 36.069 26.555 1.00 0.00 WT2 H ATOM 27946 OH2 TIP3 1075 70.727 65.580 61.540 1.00 0.00 WT2 O ATOM 27947 H1 TIP3 1075 70.754 64.682 61.871 1.00 0.00 WT2 H ATOM 27948 H2 TIP3 1075 70.009 65.991 62.021 1.00 0.00 WT2 H ATOM 27949 OH2 TIP3 1076 71.342 61.047 38.656 1.00 0.00 WT2 O ATOM 27950 H1 TIP3 1076 71.901 61.047 39.434 1.00 0.00 WT2 H ATOM 27951 H2 TIP3 1076 71.943 60.881 37.929 1.00 0.00 WT2 H ATOM 27952 OH2 TIP3 1077 30.421 25.766 -2.265 1.00 0.00 WT2 O ATOM 27953 H1 TIP3 1077 31.038 25.266 -2.801 1.00 0.00 WT2 H ATOM 27954 H2 TIP3 1077 29.687 25.949 -2.852 1.00 0.00 WT2 H ATOM 27955 OH2 TIP3 1092 66.598 3.134 37.333 1.00 0.00 WT2 O ATOM 27956 H1 TIP3 1092 67.385 3.532 37.703 1.00 0.00 WT2 H ATOM 27957 H2 TIP3 1092 66.650 3.325 36.396 1.00 0.00 WT2 H ATOM 27958 OH2 TIP3 1094 56.671 23.852 54.295 1.00 0.00 WT2 O ATOM 27959 H1 TIP3 1094 56.737 23.695 53.353 1.00 0.00 WT2 H ATOM 27960 H2 TIP3 1094 56.621 24.805 54.376 1.00 0.00 WT2 H ATOM 27961 OH2 TIP3 1096 63.734 59.783 40.907 1.00 0.00 WT2 O ATOM 27962 H1 TIP3 1096 63.651 60.152 41.786 1.00 0.00 WT2 H ATOM 27963 H2 TIP3 1096 63.296 58.934 40.961 1.00 0.00 WT2 H ATOM 27964 OH2 TIP3 1101 29.946 40.208 59.368 1.00 0.00 WT2 O ATOM 27965 H1 TIP3 1101 30.405 39.651 58.739 1.00 0.00 WT2 H ATOM 27966 H2 TIP3 1101 30.616 40.450 60.007 1.00 0.00 WT2 H ATOM 27967 OH2 TIP3 1112 54.931 48.411 -17.373 1.00 0.00 WT2 O ATOM 27968 H1 TIP3 1112 55.788 48.080 -17.640 1.00 0.00 WT2 H ATOM 27969 H2 TIP3 1112 54.992 48.494 -16.421 1.00 0.00 WT2 H ATOM 27970 OH2 TIP3 1113 30.694 93.065 59.314 1.00 0.00 WT2 O ATOM 27971 H1 TIP3 1113 30.436 93.706 59.977 1.00 0.00 WT2 H ATOM 27972 H2 TIP3 1113 30.082 93.207 58.592 1.00 0.00 WT2 H ATOM 27973 OH2 TIP3 1115 78.649 15.707 50.373 1.00 0.00 WT2 O ATOM 27974 H1 TIP3 1115 78.496 15.712 49.428 1.00 0.00 WT2 H ATOM 27975 H2 TIP3 1115 78.516 14.795 50.632 1.00 0.00 WT2 H ATOM 27976 OH2 TIP3 1117 48.329 6.604 56.054 1.00 0.00 WT2 O ATOM 27977 H1 TIP3 1117 47.956 7.443 55.783 1.00 0.00 WT2 H ATOM 27978 H2 TIP3 1117 47.839 6.367 56.842 1.00 0.00 WT2 H ATOM 27979 OH2 TIP3 1119 40.195 7.757 0.878 1.00 0.00 WT2 O ATOM 27980 H1 TIP3 1119 40.914 8.384 0.807 1.00 0.00 WT2 H ATOM 27981 H2 TIP3 1119 40.055 7.657 1.820 1.00 0.00 WT2 H ATOM 27982 OH2 TIP3 1122 52.765 33.876 41.989 1.00 0.00 WT2 O ATOM 27983 H1 TIP3 1122 52.249 33.914 41.183 1.00 0.00 WT2 H ATOM 27984 H2 TIP3 1122 52.447 33.094 42.441 1.00 0.00 WT2 H ATOM 27985 OH2 TIP3 1134 79.214 73.615 64.539 1.00 0.00 WT2 O ATOM 27986 H1 TIP3 1134 80.037 74.091 64.431 1.00 0.00 WT2 H ATOM 27987 H2 TIP3 1134 78.931 73.419 63.646 1.00 0.00 WT2 H ATOM 27988 OH2 TIP3 1135 36.218 64.372 0.003 1.00 0.00 WT2 O ATOM 27989 H1 TIP3 1135 35.343 64.028 0.184 1.00 0.00 WT2 H ATOM 27990 H2 TIP3 1135 36.210 64.568 -0.933 1.00 0.00 WT2 H ATOM 27991 OH2 TIP3 1137 58.283 41.832 59.030 1.00 0.00 WT2 O ATOM 27992 H1 TIP3 1137 57.725 41.349 58.420 1.00 0.00 WT2 H ATOM 27993 H2 TIP3 1137 58.150 42.752 58.799 1.00 0.00 WT2 H ATOM 27994 OH2 TIP3 1139 25.753 95.620 -6.405 1.00 0.00 WT2 O ATOM 27995 H1 TIP3 1139 26.453 95.156 -5.946 1.00 0.00 WT2 H ATOM 27996 H2 TIP3 1139 25.069 95.735 -5.746 1.00 0.00 WT2 H ATOM 27997 OH2 TIP3 1140 85.447 46.356 43.067 1.00 0.00 WT2 O ATOM 27998 H1 TIP3 1140 85.953 45.563 42.892 1.00 0.00 WT2 H ATOM 27999 H2 TIP3 1140 85.270 46.327 44.007 1.00 0.00 WT2 H ATOM 28000 OH2 TIP3 1155 68.855 59.578 -13.884 1.00 0.00 WT2 O ATOM 28001 H1 TIP3 1155 69.638 59.840 -14.368 1.00 0.00 WT2 H ATOM 28002 H2 TIP3 1155 68.499 58.843 -14.383 1.00 0.00 WT2 H ATOM 28003 OH2 TIP3 1157 32.243 45.217 63.400 1.00 0.00 WT2 O ATOM 28004 H1 TIP3 1157 32.632 44.801 62.630 1.00 0.00 WT2 H ATOM 28005 H2 TIP3 1157 31.937 44.486 63.937 1.00 0.00 WT2 H ATOM 28006 OH2 TIP3 1158 42.571 46.486 33.596 1.00 0.00 WT2 O ATOM 28007 H1 TIP3 1158 43.337 46.414 33.026 1.00 0.00 WT2 H ATOM 28008 H2 TIP3 1158 42.541 47.410 33.842 1.00 0.00 WT2 H ATOM 28009 OH2 TIP3 1159 42.598 48.771 52.904 1.00 0.00 WT2 O ATOM 28010 H1 TIP3 1159 42.982 48.135 52.301 1.00 0.00 WT2 H ATOM 28011 H2 TIP3 1159 43.350 49.185 53.327 1.00 0.00 WT2 H ATOM 28012 OH2 TIP3 1160 81.167 10.634 3.533 1.00 0.00 WT2 O ATOM 28013 H1 TIP3 1160 81.506 11.473 3.845 1.00 0.00 WT2 H ATOM 28014 H2 TIP3 1160 81.128 10.085 4.316 1.00 0.00 WT2 H ATOM 28015 OH2 TIP3 1162 65.725 40.317 -2.527 1.00 0.00 WT2 O ATOM 28016 H1 TIP3 1162 65.449 39.858 -3.320 1.00 0.00 WT2 H ATOM 28017 H2 TIP3 1162 65.026 40.950 -2.361 1.00 0.00 WT2 H ATOM 28018 OH2 TIP3 1163 86.921 45.775 46.732 1.00 0.00 WT2 O ATOM 28019 H1 TIP3 1163 86.031 45.628 46.412 1.00 0.00 WT2 H ATOM 28020 H2 TIP3 1163 86.847 45.716 47.684 1.00 0.00 WT2 H ATOM 28021 OH2 TIP3 1177 82.528 39.460 -19.889 1.00 0.00 WT2 O ATOM 28022 H1 TIP3 1177 82.828 40.095 -20.539 1.00 0.00 WT2 H ATOM 28023 H2 TIP3 1177 82.785 39.838 -19.048 1.00 0.00 WT2 H ATOM 28024 OH2 TIP3 1178 45.468 14.274 65.193 1.00 0.00 WT2 O ATOM 28025 H1 TIP3 1178 46.065 14.299 64.445 1.00 0.00 WT2 H ATOM 28026 H2 TIP3 1178 45.942 14.722 65.894 1.00 0.00 WT2 H ATOM 28027 OH2 TIP3 1179 37.400 18.254 63.435 1.00 0.00 WT2 O ATOM 28028 H1 TIP3 1179 37.024 17.556 63.971 1.00 0.00 WT2 H ATOM 28029 H2 TIP3 1179 36.677 18.546 62.880 1.00 0.00 WT2 H ATOM 28030 OH2 TIP3 1180 88.777 19.804 62.741 1.00 0.00 WT2 O ATOM 28031 H1 TIP3 1180 88.436 20.684 62.905 1.00 0.00 WT2 H ATOM 28032 H2 TIP3 1180 87.999 19.273 62.571 1.00 0.00 WT2 H ATOM 28033 OH2 TIP3 1181 29.897 38.190 62.628 1.00 0.00 WT2 O ATOM 28034 H1 TIP3 1181 29.706 38.443 61.725 1.00 0.00 WT2 H ATOM 28035 H2 TIP3 1181 30.423 38.911 62.974 1.00 0.00 WT2 H ATOM 28036 OH2 TIP3 1183 33.262 69.910 22.591 1.00 0.00 WT2 O ATOM 28037 H1 TIP3 1183 32.961 69.064 22.922 1.00 0.00 WT2 H ATOM 28038 H2 TIP3 1183 34.216 69.834 22.569 1.00 0.00 WT2 H ATOM 28039 OH2 TIP3 1185 37.090 84.978 66.453 1.00 0.00 WT2 O ATOM 28040 H1 TIP3 1185 37.426 84.402 67.140 1.00 0.00 WT2 H ATOM 28041 H2 TIP3 1185 37.338 84.546 65.635 1.00 0.00 WT2 H ATOM 28042 OH2 TIP3 1197 69.357 13.313 61.642 1.00 0.00 WT2 O ATOM 28043 H1 TIP3 1197 70.236 13.235 62.011 1.00 0.00 WT2 H ATOM 28044 H2 TIP3 1197 69.376 12.765 60.857 1.00 0.00 WT2 H ATOM 28045 OH2 TIP3 1200 87.430 61.232 -14.087 1.00 0.00 WT2 O ATOM 28046 H1 TIP3 1200 88.016 60.490 -14.241 1.00 0.00 WT2 H ATOM 28047 H2 TIP3 1200 87.363 61.664 -14.938 1.00 0.00 WT2 H ATOM 28048 OH2 TIP3 1201 77.092 50.283 27.847 1.00 0.00 WT2 O ATOM 28049 H1 TIP3 1201 76.364 50.643 27.339 1.00 0.00 WT2 H ATOM 28050 H2 TIP3 1201 76.779 49.428 28.141 1.00 0.00 WT2 H ATOM 28051 OH2 TIP3 1202 86.831 16.268 -17.785 1.00 0.00 WT2 O ATOM 28052 H1 TIP3 1202 85.905 16.030 -17.848 1.00 0.00 WT2 H ATOM 28053 H2 TIP3 1202 87.229 15.552 -17.290 1.00 0.00 WT2 H ATOM 28054 OH2 TIP3 1203 43.725 34.142 -2.432 1.00 0.00 WT2 O ATOM 28055 H1 TIP3 1203 43.693 33.360 -2.983 1.00 0.00 WT2 H ATOM 28056 H2 TIP3 1203 42.842 34.216 -2.070 1.00 0.00 WT2 H ATOM 28057 OH2 TIP3 1205 70.346 30.450 -1.796 1.00 0.00 WT2 O ATOM 28058 H1 TIP3 1205 70.605 31.001 -2.535 1.00 0.00 WT2 H ATOM 28059 H2 TIP3 1205 69.392 30.519 -1.769 1.00 0.00 WT2 H ATOM 28060 OH2 TIP3 1208 65.651 71.756 -14.789 1.00 0.00 WT2 O ATOM 28061 H1 TIP3 1208 64.987 71.203 -15.201 1.00 0.00 WT2 H ATOM 28062 H2 TIP3 1208 66.478 71.466 -15.176 1.00 0.00 WT2 H ATOM 28063 OH2 TIP3 1219 57.459 6.722 64.446 1.00 0.00 WT2 O ATOM 28064 H1 TIP3 1219 58.012 6.136 64.963 1.00 0.00 WT2 H ATOM 28065 H2 TIP3 1219 58.076 7.244 63.934 1.00 0.00 WT2 H ATOM 28066 OH2 TIP3 1220 36.827 53.268 30.050 1.00 0.00 WT2 O ATOM 28067 H1 TIP3 1220 37.687 53.444 29.668 1.00 0.00 WT2 H ATOM 28068 H2 TIP3 1220 36.228 53.832 29.561 1.00 0.00 WT2 H ATOM 28069 OH2 TIP3 1222 34.843 55.112 25.950 1.00 0.00 WT2 O ATOM 28070 H1 TIP3 1222 35.293 54.267 25.968 1.00 0.00 WT2 H ATOM 28071 H2 TIP3 1222 35.339 55.634 25.319 1.00 0.00 WT2 H ATOM 28072 OH2 TIP3 1223 57.756 16.848 -15.795 1.00 0.00 WT2 O ATOM 28073 H1 TIP3 1223 58.245 16.472 -15.063 1.00 0.00 WT2 H ATOM 28074 H2 TIP3 1223 57.100 17.410 -15.382 1.00 0.00 WT2 H ATOM 28075 OH2 TIP3 1224 66.512 13.039 20.126 1.00 0.00 WT2 O ATOM 28076 H1 TIP3 1224 67.113 13.581 20.637 1.00 0.00 WT2 H ATOM 28077 H2 TIP3 1224 65.934 13.666 19.691 1.00 0.00 WT2 H ATOM 28078 OH2 TIP3 1225 22.488 71.316 61.542 1.00 0.00 WT2 O ATOM 28079 H1 TIP3 1225 22.008 71.961 62.061 1.00 0.00 WT2 H ATOM 28080 H2 TIP3 1225 23.409 71.486 61.740 1.00 0.00 WT2 H ATOM 28081 OH2 TIP3 1226 51.554 7.336 16.206 1.00 0.00 WT2 O ATOM 28082 H1 TIP3 1226 50.636 7.608 16.237 1.00 0.00 WT2 H ATOM 28083 H2 TIP3 1226 52.002 7.933 16.805 1.00 0.00 WT2 H ATOM 28084 OH2 TIP3 1227 68.618 25.056 59.996 1.00 0.00 WT2 O ATOM 28085 H1 TIP3 1227 68.997 25.932 59.928 1.00 0.00 WT2 H ATOM 28086 H2 TIP3 1227 68.187 25.047 60.851 1.00 0.00 WT2 H ATOM 28087 OH2 TIP3 1240 49.250 29.960 17.414 1.00 0.00 WT2 O ATOM 28088 H1 TIP3 1240 48.331 30.053 17.160 1.00 0.00 WT2 H ATOM 28089 H2 TIP3 1240 49.229 29.896 18.369 1.00 0.00 WT2 H ATOM 28090 OH2 TIP3 1241 44.461 95.084 49.864 1.00 0.00 WT2 O ATOM 28091 H1 TIP3 1241 44.097 94.812 49.021 1.00 0.00 WT2 H ATOM 28092 H2 TIP3 1241 45.273 95.537 49.639 1.00 0.00 WT2 H ATOM 28093 OH2 TIP3 1242 77.776 42.052 -4.776 1.00 0.00 WT2 O ATOM 28094 H1 TIP3 1242 78.568 42.558 -4.592 1.00 0.00 WT2 H ATOM 28095 H2 TIP3 1242 77.092 42.712 -4.895 1.00 0.00 WT2 H ATOM 28096 OH2 TIP3 1243 37.908 33.733 8.088 1.00 0.00 WT2 O ATOM 28097 H1 TIP3 1243 36.980 33.680 8.318 1.00 0.00 WT2 H ATOM 28098 H2 TIP3 1243 38.333 34.061 8.880 1.00 0.00 WT2 H ATOM 28099 OH2 TIP3 1244 84.102 27.383 -0.127 1.00 0.00 WT2 O ATOM 28100 H1 TIP3 1244 84.495 27.908 0.571 1.00 0.00 WT2 H ATOM 28101 H2 TIP3 1244 84.614 27.598 -0.907 1.00 0.00 WT2 H ATOM 28102 OH2 TIP3 1247 84.515 25.495 11.267 1.00 0.00 WT2 O ATOM 28103 H1 TIP3 1247 84.734 25.454 10.336 1.00 0.00 WT2 H ATOM 28104 H2 TIP3 1247 83.937 26.255 11.344 1.00 0.00 WT2 H ATOM 28105 OH2 TIP3 1258 69.786 53.143 60.110 1.00 0.00 WT2 O ATOM 28106 H1 TIP3 1258 70.323 53.657 59.506 1.00 0.00 WT2 H ATOM 28107 H2 TIP3 1258 68.997 53.670 60.237 1.00 0.00 WT2 H ATOM 28108 OH2 TIP3 1263 78.443 73.833 61.987 1.00 0.00 WT2 O ATOM 28109 H1 TIP3 1263 78.487 73.161 61.306 1.00 0.00 WT2 H ATOM 28110 H2 TIP3 1263 78.699 74.641 61.544 1.00 0.00 WT2 H ATOM 28111 OH2 TIP3 1265 88.319 59.751 5.726 1.00 0.00 WT2 O ATOM 28112 H1 TIP3 1265 87.861 58.995 5.359 1.00 0.00 WT2 H ATOM 28113 H2 TIP3 1265 89.241 59.497 5.726 1.00 0.00 WT2 H ATOM 28114 OH2 TIP3 1266 47.093 44.634 6.880 1.00 0.00 WT2 O ATOM 28115 H1 TIP3 1266 48.024 44.848 6.941 1.00 0.00 WT2 H ATOM 28116 H2 TIP3 1266 46.790 44.617 7.788 1.00 0.00 WT2 H ATOM 28117 OH2 TIP3 1267 74.832 35.146 22.613 1.00 0.00 WT2 O ATOM 28118 H1 TIP3 1267 74.682 34.893 21.702 1.00 0.00 WT2 H ATOM 28119 H2 TIP3 1267 74.302 35.934 22.734 1.00 0.00 WT2 H ATOM 28120 OH2 TIP3 1268 67.421 28.194 59.074 1.00 0.00 WT2 O ATOM 28121 H1 TIP3 1268 66.587 27.890 59.434 1.00 0.00 WT2 H ATOM 28122 H2 TIP3 1268 67.475 27.780 58.212 1.00 0.00 WT2 H ATOM 28123 OH2 TIP3 1271 35.213 33.209 31.092 1.00 0.00 WT2 O ATOM 28124 H1 TIP3 1271 35.892 33.881 31.147 1.00 0.00 WT2 H ATOM 28125 H2 TIP3 1271 34.470 33.578 31.569 1.00 0.00 WT2 H ATOM 28126 OH2 TIP3 1281 80.369 90.388 46.431 1.00 0.00 WT2 O ATOM 28127 H1 TIP3 1281 79.566 89.957 46.725 1.00 0.00 WT2 H ATOM 28128 H2 TIP3 1281 80.132 90.794 45.598 1.00 0.00 WT2 H ATOM 28129 OH2 TIP3 1283 47.748 48.975 41.289 1.00 0.00 WT2 O ATOM 28130 H1 TIP3 1283 46.815 49.140 41.151 1.00 0.00 WT2 H ATOM 28131 H2 TIP3 1283 48.184 49.740 40.913 1.00 0.00 WT2 H ATOM 28132 OH2 TIP3 1284 84.016 75.985 -11.898 1.00 0.00 WT2 O ATOM 28133 H1 TIP3 1284 84.123 76.276 -10.993 1.00 0.00 WT2 H ATOM 28134 H2 TIP3 1284 83.907 76.793 -12.399 1.00 0.00 WT2 H ATOM 28135 OH2 TIP3 1285 51.922 58.483 64.569 1.00 0.00 WT2 O ATOM 28136 H1 TIP3 1285 52.257 58.242 63.705 1.00 0.00 WT2 H ATOM 28137 H2 TIP3 1285 51.007 58.203 64.558 1.00 0.00 WT2 H ATOM 28138 OH2 TIP3 1286 48.118 10.560 4.417 1.00 0.00 WT2 O ATOM 28139 H1 TIP3 1286 47.681 9.796 4.041 1.00 0.00 WT2 H ATOM 28140 H2 TIP3 1286 48.842 10.196 4.926 1.00 0.00 WT2 H ATOM 28141 OH2 TIP3 1301 84.114 25.440 43.235 1.00 0.00 WT2 O ATOM 28142 H1 TIP3 1301 83.451 26.118 43.109 1.00 0.00 WT2 H ATOM 28143 H2 TIP3 1301 83.906 25.057 44.088 1.00 0.00 WT2 H ATOM 28144 OH2 TIP3 1303 74.287 91.843 -14.942 1.00 0.00 WT2 O ATOM 28145 H1 TIP3 1303 74.168 90.896 -14.864 1.00 0.00 WT2 H ATOM 28146 H2 TIP3 1303 74.974 92.051 -14.309 1.00 0.00 WT2 H ATOM 28147 OH2 TIP3 1304 79.030 10.274 41.505 1.00 0.00 WT2 O ATOM 28148 H1 TIP3 1304 79.465 9.721 42.153 1.00 0.00 WT2 H ATOM 28149 H2 TIP3 1304 79.209 11.169 41.794 1.00 0.00 WT2 H ATOM 28150 OH2 TIP3 1305 20.469 3.661 31.919 1.00 0.00 WT2 O ATOM 28151 H1 TIP3 1305 20.977 3.518 32.718 1.00 0.00 WT2 H ATOM 28152 H2 TIP3 1305 20.797 4.490 31.570 1.00 0.00 WT2 H ATOM 28153 OH2 TIP3 1306 65.175 31.183 49.247 1.00 0.00 WT2 O ATOM 28154 H1 TIP3 1306 64.289 31.056 48.906 1.00 0.00 WT2 H ATOM 28155 H2 TIP3 1306 65.749 30.935 48.522 1.00 0.00 WT2 H ATOM 28156 OH2 TIP3 1307 53.269 85.244 -5.577 1.00 0.00 WT2 O ATOM 28157 H1 TIP3 1307 53.862 84.990 -6.284 1.00 0.00 WT2 H ATOM 28158 H2 TIP3 1307 52.397 85.209 -5.970 1.00 0.00 WT2 H ATOM 28159 OH2 TIP3 1308 64.822 59.156 21.321 1.00 0.00 WT2 O ATOM 28160 H1 TIP3 1308 64.697 59.432 20.413 1.00 0.00 WT2 H ATOM 28161 H2 TIP3 1308 64.204 58.435 21.440 1.00 0.00 WT2 H ATOM 28162 OH2 TIP3 1322 30.864 41.709 48.520 1.00 0.00 WT2 O ATOM 28163 H1 TIP3 1322 30.190 41.892 49.175 1.00 0.00 WT2 H ATOM 28164 H2 TIP3 1322 30.502 40.993 47.998 1.00 0.00 WT2 H ATOM 28165 OH2 TIP3 1324 41.473 58.954 44.252 1.00 0.00 WT2 O ATOM 28166 H1 TIP3 1324 40.823 59.036 43.554 1.00 0.00 WT2 H ATOM 28167 H2 TIP3 1324 42.261 59.365 43.895 1.00 0.00 WT2 H ATOM 28168 OH2 TIP3 1326 88.472 17.613 51.972 1.00 0.00 WT2 O ATOM 28169 H1 TIP3 1326 89.099 17.259 51.342 1.00 0.00 WT2 H ATOM 28170 H2 TIP3 1326 88.767 18.511 52.126 1.00 0.00 WT2 H ATOM 28171 OH2 TIP3 1327 88.384 24.574 51.686 1.00 0.00 WT2 O ATOM 28172 H1 TIP3 1327 89.211 24.656 51.211 1.00 0.00 WT2 H ATOM 28173 H2 TIP3 1327 88.635 24.251 52.551 1.00 0.00 WT2 H ATOM 28174 OH2 TIP3 1328 52.453 12.373 27.983 1.00 0.00 WT2 O ATOM 28175 H1 TIP3 1328 52.058 12.989 27.367 1.00 0.00 WT2 H ATOM 28176 H2 TIP3 1328 52.709 12.912 28.731 1.00 0.00 WT2 H ATOM 28177 OH2 TIP3 1329 52.597 1.953 40.134 1.00 0.00 WT2 O ATOM 28178 H1 TIP3 1329 53.128 2.734 40.286 1.00 0.00 WT2 H ATOM 28179 H2 TIP3 1329 52.948 1.576 39.327 1.00 0.00 WT2 H ATOM 28180 OH2 TIP3 1330 83.017 45.329 64.549 1.00 0.00 WT2 O ATOM 28181 H1 TIP3 1330 82.168 45.012 64.858 1.00 0.00 WT2 H ATOM 28182 H2 TIP3 1330 82.912 46.279 64.490 1.00 0.00 WT2 H ATOM 28183 OH2 TIP3 1333 23.159 39.557 37.503 1.00 0.00 WT2 O ATOM 28184 H1 TIP3 1333 22.871 40.470 37.508 1.00 0.00 WT2 H ATOM 28185 H2 TIP3 1333 22.741 39.178 36.730 1.00 0.00 WT2 H ATOM 28186 OH2 TIP3 1344 54.057 70.732 -17.257 1.00 0.00 WT2 O ATOM 28187 H1 TIP3 1344 54.027 71.621 -17.611 1.00 0.00 WT2 H ATOM 28188 H2 TIP3 1344 53.176 70.386 -17.402 1.00 0.00 WT2 H ATOM 28189 OH2 TIP3 1345 26.857 62.569 47.133 1.00 0.00 WT2 O ATOM 28190 H1 TIP3 1345 27.238 63.320 47.588 1.00 0.00 WT2 H ATOM 28191 H2 TIP3 1345 27.237 62.603 46.255 1.00 0.00 WT2 H ATOM 28192 OH2 TIP3 1346 43.590 3.004 43.801 1.00 0.00 WT2 O ATOM 28193 H1 TIP3 1346 44.232 3.708 43.892 1.00 0.00 WT2 H ATOM 28194 H2 TIP3 1346 43.289 3.069 42.895 1.00 0.00 WT2 H ATOM 28195 OH2 TIP3 1347 24.483 13.379 38.125 1.00 0.00 WT2 O ATOM 28196 H1 TIP3 1347 24.485 14.303 37.875 1.00 0.00 WT2 H ATOM 28197 H2 TIP3 1347 24.892 13.364 38.990 1.00 0.00 WT2 H ATOM 28198 OH2 TIP3 1349 33.288 36.571 65.247 1.00 0.00 WT2 O ATOM 28199 H1 TIP3 1349 34.114 37.053 65.277 1.00 0.00 WT2 H ATOM 28200 H2 TIP3 1349 33.485 35.787 64.735 1.00 0.00 WT2 H ATOM 28201 OH2 TIP3 1350 81.293 16.250 45.205 1.00 0.00 WT2 O ATOM 28202 H1 TIP3 1350 81.487 17.124 44.867 1.00 0.00 WT2 H ATOM 28203 H2 TIP3 1350 80.563 15.942 44.668 1.00 0.00 WT2 H ATOM 28204 OH2 TIP3 1351 87.891 11.367 -15.174 1.00 0.00 WT2 O ATOM 28205 H1 TIP3 1351 87.183 11.982 -14.986 1.00 0.00 WT2 H ATOM 28206 H2 TIP3 1351 88.687 11.830 -14.910 1.00 0.00 WT2 H ATOM 28207 OH2 TIP3 1352 65.835 84.501 -3.647 1.00 0.00 WT2 O ATOM 28208 H1 TIP3 1352 65.147 84.339 -4.292 1.00 0.00 WT2 H ATOM 28209 H2 TIP3 1352 66.567 83.955 -3.933 1.00 0.00 WT2 H ATOM 28210 OH2 TIP3 1353 74.973 60.354 -15.020 1.00 0.00 WT2 O ATOM 28211 H1 TIP3 1353 75.130 61.275 -14.813 1.00 0.00 WT2 H ATOM 28212 H2 TIP3 1353 75.271 60.257 -15.924 1.00 0.00 WT2 H ATOM 28213 OH2 TIP3 1354 23.980 30.769 -10.897 1.00 0.00 WT2 O ATOM 28214 H1 TIP3 1354 24.458 30.235 -11.532 1.00 0.00 WT2 H ATOM 28215 H2 TIP3 1354 23.073 30.749 -11.202 1.00 0.00 WT2 H ATOM 28216 OH2 TIP3 1367 75.500 7.518 40.485 1.00 0.00 WT2 O ATOM 28217 H1 TIP3 1367 75.121 8.377 40.669 1.00 0.00 WT2 H ATOM 28218 H2 TIP3 1367 75.654 7.521 39.540 1.00 0.00 WT2 H ATOM 28219 OH2 TIP3 1368 44.991 80.172 18.431 1.00 0.00 WT2 O ATOM 28220 H1 TIP3 1368 44.640 79.302 18.624 1.00 0.00 WT2 H ATOM 28221 H2 TIP3 1368 45.024 80.211 17.475 1.00 0.00 WT2 H ATOM 28222 OH2 TIP3 1370 80.612 67.175 34.468 1.00 0.00 WT2 O ATOM 28223 H1 TIP3 1370 79.937 66.554 34.195 1.00 0.00 WT2 H ATOM 28224 H2 TIP3 1370 80.149 68.007 34.561 1.00 0.00 WT2 H ATOM 28225 OH2 TIP3 1371 60.858 50.763 -14.046 1.00 0.00 WT2 O ATOM 28226 H1 TIP3 1371 60.342 50.185 -13.484 1.00 0.00 WT2 H ATOM 28227 H2 TIP3 1371 61.731 50.762 -13.655 1.00 0.00 WT2 H ATOM 28228 OH2 TIP3 1373 62.959 33.739 30.980 1.00 0.00 WT2 O ATOM 28229 H1 TIP3 1373 62.393 34.501 31.101 1.00 0.00 WT2 H ATOM 28230 H2 TIP3 1373 63.152 33.730 30.043 1.00 0.00 WT2 H ATOM 28231 OH2 TIP3 1374 89.019 80.480 49.436 1.00 0.00 WT2 O ATOM 28232 H1 TIP3 1374 89.431 80.620 50.288 1.00 0.00 WT2 H ATOM 28233 H2 TIP3 1374 89.502 81.050 48.838 1.00 0.00 WT2 H ATOM 28234 OH2 TIP3 1375 79.758 27.424 37.745 1.00 0.00 WT2 O ATOM 28235 H1 TIP3 1375 79.595 27.867 36.912 1.00 0.00 WT2 H ATOM 28236 H2 TIP3 1375 80.657 27.103 37.675 1.00 0.00 WT2 H ATOM 28237 OH2 TIP3 1386 80.396 29.929 -0.481 1.00 0.00 WT2 O ATOM 28238 H1 TIP3 1386 80.213 29.509 0.360 1.00 0.00 WT2 H ATOM 28239 H2 TIP3 1386 81.002 30.638 -0.268 1.00 0.00 WT2 H ATOM 28240 OH2 TIP3 1387 26.059 73.625 59.382 1.00 0.00 WT2 O ATOM 28241 H1 TIP3 1387 26.342 72.859 58.884 1.00 0.00 WT2 H ATOM 28242 H2 TIP3 1387 26.105 73.347 60.297 1.00 0.00 WT2 H ATOM 28243 OH2 TIP3 1388 68.630 37.868 -13.673 1.00 0.00 WT2 O ATOM 28244 H1 TIP3 1388 69.212 37.987 -14.424 1.00 0.00 WT2 H ATOM 28245 H2 TIP3 1388 68.556 36.918 -13.575 1.00 0.00 WT2 H ATOM 28246 OH2 TIP3 1389 56.869 19.515 19.082 1.00 0.00 WT2 O ATOM 28247 H1 TIP3 1389 55.995 19.489 19.473 1.00 0.00 WT2 H ATOM 28248 H2 TIP3 1389 56.910 20.366 18.644 1.00 0.00 WT2 H ATOM 28249 OH2 TIP3 1392 34.522 1.109 3.765 1.00 0.00 WT2 O ATOM 28250 H1 TIP3 1392 33.964 1.762 4.188 1.00 0.00 WT2 H ATOM 28251 H2 TIP3 1392 34.071 0.277 3.912 1.00 0.00 WT2 H ATOM 28252 OH2 TIP3 1393 21.426 81.403 48.758 1.00 0.00 WT2 O ATOM 28253 H1 TIP3 1393 21.643 81.784 47.907 1.00 0.00 WT2 H ATOM 28254 H2 TIP3 1393 21.914 80.580 48.784 1.00 0.00 WT2 H ATOM 28255 OH2 TIP3 1407 22.895 29.051 61.873 1.00 0.00 WT2 O ATOM 28256 H1 TIP3 1407 22.754 29.961 62.137 1.00 0.00 WT2 H ATOM 28257 H2 TIP3 1407 22.080 28.605 62.103 1.00 0.00 WT2 H ATOM 28258 OH2 TIP3 1408 25.631 40.750 34.374 1.00 0.00 WT2 O ATOM 28259 H1 TIP3 1408 25.680 40.987 33.448 1.00 0.00 WT2 H ATOM 28260 H2 TIP3 1408 24.699 40.607 34.537 1.00 0.00 WT2 H ATOM 28261 OH2 TIP3 1411 20.744 30.652 -14.726 1.00 0.00 WT2 O ATOM 28262 H1 TIP3 1411 21.088 30.298 -15.546 1.00 0.00 WT2 H ATOM 28263 H2 TIP3 1411 21.521 30.925 -14.238 1.00 0.00 WT2 H ATOM 28264 OH2 TIP3 1412 35.506 5.051 21.752 1.00 0.00 WT2 O ATOM 28265 H1 TIP3 1412 35.822 5.938 21.578 1.00 0.00 WT2 H ATOM 28266 H2 TIP3 1412 36.066 4.731 22.459 1.00 0.00 WT2 H ATOM 28267 OH2 TIP3 1413 47.691 8.340 43.534 1.00 0.00 WT2 O ATOM 28268 H1 TIP3 1413 48.275 8.023 44.223 1.00 0.00 WT2 H ATOM 28269 H2 TIP3 1413 47.301 7.547 43.167 1.00 0.00 WT2 H ATOM 28270 OH2 TIP3 1414 82.514 86.780 56.936 1.00 0.00 WT2 O ATOM 28271 H1 TIP3 1414 82.400 87.162 56.065 1.00 0.00 WT2 H ATOM 28272 H2 TIP3 1414 82.181 85.887 56.852 1.00 0.00 WT2 H ATOM 28273 OH2 TIP3 1415 45.466 63.216 0.606 1.00 0.00 WT2 O ATOM 28274 H1 TIP3 1415 46.389 62.978 0.697 1.00 0.00 WT2 H ATOM 28275 H2 TIP3 1415 45.098 63.088 1.480 1.00 0.00 WT2 H ATOM 28276 OH2 TIP3 1418 33.878 42.740 66.184 1.00 0.00 WT2 O ATOM 28277 H1 TIP3 1418 33.458 42.377 66.964 1.00 0.00 WT2 H ATOM 28278 H2 TIP3 1418 34.569 43.308 66.525 1.00 0.00 WT2 H ATOM 28279 OH2 TIP3 1425 33.993 85.087 34.979 1.00 0.00 WT2 O ATOM 28280 H1 TIP3 1425 33.284 85.587 34.575 1.00 0.00 WT2 H ATOM 28281 H2 TIP3 1425 33.815 84.179 34.736 1.00 0.00 WT2 H ATOM 28282 OH2 TIP3 1427 56.723 8.523 48.277 1.00 0.00 WT2 O ATOM 28283 H1 TIP3 1427 57.578 8.671 48.682 1.00 0.00 WT2 H ATOM 28284 H2 TIP3 1427 56.457 9.385 47.957 1.00 0.00 WT2 H ATOM 28285 OH2 TIP3 1428 56.795 69.061 -16.594 1.00 0.00 WT2 O ATOM 28286 H1 TIP3 1428 56.043 69.577 -16.884 1.00 0.00 WT2 H ATOM 28287 H2 TIP3 1428 56.448 68.501 -15.899 1.00 0.00 WT2 H ATOM 28288 OH2 TIP3 1429 84.608 69.501 19.129 1.00 0.00 WT2 O ATOM 28289 H1 TIP3 1429 84.743 69.187 20.023 1.00 0.00 WT2 H ATOM 28290 H2 TIP3 1429 83.658 69.589 19.047 1.00 0.00 WT2 H ATOM 28291 OH2 TIP3 1430 68.749 6.192 46.000 1.00 0.00 WT2 O ATOM 28292 H1 TIP3 1430 69.080 6.161 45.102 1.00 0.00 WT2 H ATOM 28293 H2 TIP3 1430 68.217 5.402 46.087 1.00 0.00 WT2 H ATOM 28294 OH2 TIP3 1431 63.537 22.681 57.391 1.00 0.00 WT2 O ATOM 28295 H1 TIP3 1431 62.696 22.432 57.007 1.00 0.00 WT2 H ATOM 28296 H2 TIP3 1431 64.056 21.876 57.373 1.00 0.00 WT2 H ATOM 28297 OH2 TIP3 1432 56.508 70.428 -5.880 1.00 0.00 WT2 O ATOM 28298 H1 TIP3 1432 57.021 70.960 -5.271 1.00 0.00 WT2 H ATOM 28299 H2 TIP3 1432 56.669 69.526 -5.605 1.00 0.00 WT2 H ATOM 28300 OH2 TIP3 1433 80.650 66.231 51.852 1.00 0.00 WT2 O ATOM 28301 H1 TIP3 1433 79.910 65.829 51.397 1.00 0.00 WT2 H ATOM 28302 H2 TIP3 1433 81.207 65.495 52.103 1.00 0.00 WT2 H ATOM 28303 OH2 TIP3 1435 53.098 13.997 32.701 1.00 0.00 WT2 O ATOM 28304 H1 TIP3 1435 53.606 13.422 33.273 1.00 0.00 WT2 H ATOM 28305 H2 TIP3 1435 52.314 14.209 33.208 1.00 0.00 WT2 H ATOM 28306 OH2 TIP3 1440 86.722 51.685 14.834 1.00 0.00 WT2 O ATOM 28307 H1 TIP3 1440 87.068 52.563 14.993 1.00 0.00 WT2 H ATOM 28308 H2 TIP3 1440 87.340 51.292 14.218 1.00 0.00 WT2 H ATOM 28309 OH2 TIP3 1450 41.665 30.819 50.161 1.00 0.00 WT2 O ATOM 28310 H1 TIP3 1450 41.521 31.765 50.176 1.00 0.00 WT2 H ATOM 28311 H2 TIP3 1450 41.450 30.558 49.266 1.00 0.00 WT2 H ATOM 28312 OH2 TIP3 1451 26.166 6.135 21.837 1.00 0.00 WT2 O ATOM 28313 H1 TIP3 1451 25.937 6.778 21.166 1.00 0.00 WT2 H ATOM 28314 H2 TIP3 1451 26.096 5.290 21.393 1.00 0.00 WT2 H ATOM 28315 OH2 TIP3 1452 66.409 10.277 61.156 1.00 0.00 WT2 O ATOM 28316 H1 TIP3 1452 66.933 10.065 61.929 1.00 0.00 WT2 H ATOM 28317 H2 TIP3 1452 66.083 9.431 60.848 1.00 0.00 WT2 H ATOM 28318 OH2 TIP3 1453 86.698 74.031 -14.289 1.00 0.00 WT2 O ATOM 28319 H1 TIP3 1453 86.459 74.015 -13.362 1.00 0.00 WT2 H ATOM 28320 H2 TIP3 1453 86.340 73.217 -14.643 1.00 0.00 WT2 H ATOM 28321 OH2 TIP3 1454 46.654 14.934 4.346 1.00 0.00 WT2 O ATOM 28322 H1 TIP3 1454 45.905 15.275 4.835 1.00 0.00 WT2 H ATOM 28323 H2 TIP3 1454 47.187 14.489 5.005 1.00 0.00 WT2 H ATOM 28324 OH2 TIP3 1457 54.110 26.351 40.227 1.00 0.00 WT2 O ATOM 28325 H1 TIP3 1457 53.914 26.135 39.315 1.00 0.00 WT2 H ATOM 28326 H2 TIP3 1457 54.067 25.512 40.686 1.00 0.00 WT2 H ATOM 28327 OH2 TIP3 1458 61.307 41.126 58.465 1.00 0.00 WT2 O ATOM 28328 H1 TIP3 1458 60.380 41.228 58.681 1.00 0.00 WT2 H ATOM 28329 H2 TIP3 1458 61.369 41.377 57.544 1.00 0.00 WT2 H ATOM 28330 OH2 TIP3 1466 29.936 44.858 58.868 1.00 0.00 WT2 O ATOM 28331 H1 TIP3 1466 30.549 45.573 58.697 1.00 0.00 WT2 H ATOM 28332 H2 TIP3 1466 30.385 44.076 58.549 1.00 0.00 WT2 H ATOM 28333 OH2 TIP3 1471 66.692 32.427 4.816 1.00 0.00 WT2 O ATOM 28334 H1 TIP3 1471 67.040 32.744 5.649 1.00 0.00 WT2 H ATOM 28335 H2 TIP3 1471 65.884 32.924 4.688 1.00 0.00 WT2 H ATOM 28336 OH2 TIP3 1474 35.429 14.671 58.882 1.00 0.00 WT2 O ATOM 28337 H1 TIP3 1474 35.952 15.457 58.722 1.00 0.00 WT2 H ATOM 28338 H2 TIP3 1474 36.000 13.947 58.623 1.00 0.00 WT2 H ATOM 28339 OH2 TIP3 1477 20.489 30.580 31.083 1.00 0.00 WT2 O ATOM 28340 H1 TIP3 1477 21.249 31.124 31.286 1.00 0.00 WT2 H ATOM 28341 H2 TIP3 1477 20.662 30.243 30.204 1.00 0.00 WT2 H ATOM 28342 OH2 TIP3 1478 55.592 38.983 -10.995 1.00 0.00 WT2 O ATOM 28343 H1 TIP3 1478 54.982 38.569 -10.385 1.00 0.00 WT2 H ATOM 28344 H2 TIP3 1478 56.281 39.345 -10.437 1.00 0.00 WT2 H ATOM 28345 OH2 TIP3 1480 39.792 28.082 -15.301 1.00 0.00 WT2 O ATOM 28346 H1 TIP3 1480 39.668 27.367 -14.675 1.00 0.00 WT2 H ATOM 28347 H2 TIP3 1480 39.937 27.644 -16.139 1.00 0.00 WT2 H ATOM 28348 OH2 TIP3 1492 25.168 45.647 44.893 1.00 0.00 WT2 O ATOM 28349 H1 TIP3 1492 24.733 45.619 45.745 1.00 0.00 WT2 H ATOM 28350 H2 TIP3 1492 24.457 45.772 44.264 1.00 0.00 WT2 H ATOM 28351 OH2 TIP3 1493 88.918 83.387 27.783 1.00 0.00 WT2 O ATOM 28352 H1 TIP3 1493 88.074 83.277 27.344 1.00 0.00 WT2 H ATOM 28353 H2 TIP3 1493 89.391 84.016 27.239 1.00 0.00 WT2 H ATOM 28354 OH2 TIP3 1494 26.651 72.910 42.826 1.00 0.00 WT2 O ATOM 28355 H1 TIP3 1494 26.896 73.397 42.039 1.00 0.00 WT2 H ATOM 28356 H2 TIP3 1494 26.952 72.017 42.660 1.00 0.00 WT2 H ATOM 28357 OH2 TIP3 1496 73.303 12.106 10.156 1.00 0.00 WT2 O ATOM 28358 H1 TIP3 1496 72.456 12.287 10.564 1.00 0.00 WT2 H ATOM 28359 H2 TIP3 1496 73.921 12.665 10.629 1.00 0.00 WT2 H ATOM 28360 OH2 TIP3 1497 65.736 36.622 -19.519 1.00 0.00 WT2 O ATOM 28361 H1 TIP3 1497 66.302 36.052 -20.040 1.00 0.00 WT2 H ATOM 28362 H2 TIP3 1497 66.068 36.537 -18.625 1.00 0.00 WT2 H ATOM 28363 OH2 TIP3 1499 37.159 33.702 18.394 1.00 0.00 WT2 O ATOM 28364 H1 TIP3 1499 37.342 34.606 18.141 1.00 0.00 WT2 H ATOM 28365 H2 TIP3 1499 37.670 33.172 17.782 1.00 0.00 WT2 H ATOM 28366 OH2 TIP3 1512 89.335 93.318 48.022 1.00 0.00 WT2 O ATOM 28367 H1 TIP3 1512 89.156 92.770 48.786 1.00 0.00 WT2 H ATOM 28368 H2 TIP3 1512 89.416 94.203 48.375 1.00 0.00 WT2 H ATOM 28369 OH2 TIP3 1514 20.625 67.185 46.296 1.00 0.00 WT2 O ATOM 28370 H1 TIP3 1514 21.041 67.105 47.154 1.00 0.00 WT2 H ATOM 28371 H2 TIP3 1514 21.111 67.883 45.857 1.00 0.00 WT2 H ATOM 28372 OH2 TIP3 1515 65.437 10.482 36.617 1.00 0.00 WT2 O ATOM 28373 H1 TIP3 1515 65.551 11.001 35.821 1.00 0.00 WT2 H ATOM 28374 H2 TIP3 1515 64.668 9.940 36.442 1.00 0.00 WT2 H ATOM 28375 OH2 TIP3 1519 79.982 0.748 -10.321 1.00 0.00 WT2 O ATOM 28376 H1 TIP3 1519 80.524 1.538 -10.315 1.00 0.00 WT2 H ATOM 28377 H2 TIP3 1519 79.097 1.063 -10.139 1.00 0.00 WT2 H ATOM 28378 OH2 TIP3 1531 32.749 22.610 0.474 1.00 0.00 WT2 O ATOM 28379 H1 TIP3 1531 33.165 22.691 -0.384 1.00 0.00 WT2 H ATOM 28380 H2 TIP3 1531 33.333 23.081 1.069 1.00 0.00 WT2 H ATOM 28381 OH2 TIP3 1532 38.142 23.730 47.123 1.00 0.00 WT2 O ATOM 28382 H1 TIP3 1532 37.235 23.429 47.177 1.00 0.00 WT2 H ATOM 28383 H2 TIP3 1532 38.485 23.318 46.330 1.00 0.00 WT2 H ATOM 28384 OH2 TIP3 1534 42.097 6.173 37.809 1.00 0.00 WT2 O ATOM 28385 H1 TIP3 1534 42.367 6.442 38.687 1.00 0.00 WT2 H ATOM 28386 H2 TIP3 1534 41.698 5.312 37.934 1.00 0.00 WT2 H ATOM 28387 OH2 TIP3 1535 67.333 60.358 60.814 1.00 0.00 WT2 O ATOM 28388 H1 TIP3 1535 66.526 60.368 61.329 1.00 0.00 WT2 H ATOM 28389 H2 TIP3 1535 67.244 61.098 60.214 1.00 0.00 WT2 H ATOM 28390 OH2 TIP3 1536 61.165 62.594 58.380 1.00 0.00 WT2 O ATOM 28391 H1 TIP3 1536 61.331 61.653 58.319 1.00 0.00 WT2 H ATOM 28392 H2 TIP3 1536 60.299 62.659 58.783 1.00 0.00 WT2 H ATOM 28393 OH2 TIP3 1537 76.408 27.182 50.594 1.00 0.00 WT2 O ATOM 28394 H1 TIP3 1537 77.262 26.856 50.879 1.00 0.00 WT2 H ATOM 28395 H2 TIP3 1537 76.034 26.462 50.087 1.00 0.00 WT2 H ATOM 28396 OH2 TIP3 1538 23.760 58.551 -17.646 1.00 0.00 WT2 O ATOM 28397 H1 TIP3 1538 22.955 58.318 -17.183 1.00 0.00 WT2 H ATOM 28398 H2 TIP3 1538 23.894 59.477 -17.444 1.00 0.00 WT2 H ATOM 28399 OH2 TIP3 1539 66.803 36.527 15.535 1.00 0.00 WT2 O ATOM 28400 H1 TIP3 1539 65.901 36.586 15.850 1.00 0.00 WT2 H ATOM 28401 H2 TIP3 1539 67.102 37.435 15.492 1.00 0.00 WT2 H ATOM 28402 OH2 TIP3 1540 54.486 64.215 38.774 1.00 0.00 WT2 O ATOM 28403 H1 TIP3 1540 53.965 63.480 39.097 1.00 0.00 WT2 H ATOM 28404 H2 TIP3 1540 55.116 63.816 38.173 1.00 0.00 WT2 H ATOM 28405 OH2 TIP3 1551 87.472 25.393 -17.490 1.00 0.00 WT2 O ATOM 28406 H1 TIP3 1551 86.818 26.091 -17.474 1.00 0.00 WT2 H ATOM 28407 H2 TIP3 1551 88.142 25.676 -16.867 1.00 0.00 WT2 H ATOM 28408 OH2 TIP3 1552 55.230 47.567 50.819 1.00 0.00 WT2 O ATOM 28409 H1 TIP3 1552 55.907 47.184 51.377 1.00 0.00 WT2 H ATOM 28410 H2 TIP3 1552 55.537 48.456 50.643 1.00 0.00 WT2 H ATOM 28411 OH2 TIP3 1555 40.452 93.629 -19.157 1.00 0.00 WT2 O ATOM 28412 H1 TIP3 1555 39.713 93.926 -18.626 1.00 0.00 WT2 H ATOM 28413 H2 TIP3 1555 40.670 92.766 -18.803 1.00 0.00 WT2 H ATOM 28414 OH2 TIP3 1558 63.452 17.115 51.266 1.00 0.00 WT2 O ATOM 28415 H1 TIP3 1558 63.531 16.166 51.362 1.00 0.00 WT2 H ATOM 28416 H2 TIP3 1558 63.170 17.243 50.360 1.00 0.00 WT2 H ATOM 28417 OH2 TIP3 1559 81.619 40.849 53.984 1.00 0.00 WT2 O ATOM 28418 H1 TIP3 1559 81.966 40.395 54.752 1.00 0.00 WT2 H ATOM 28419 H2 TIP3 1559 80.934 41.420 54.332 1.00 0.00 WT2 H ATOM 28420 OH2 TIP3 1560 89.689 49.107 -5.051 1.00 0.00 WT2 O ATOM 28421 H1 TIP3 1560 89.472 49.281 -4.136 1.00 0.00 WT2 H ATOM 28422 H2 TIP3 1560 89.409 49.894 -5.518 1.00 0.00 WT2 H ATOM 28423 OH2 TIP3 1561 68.877 26.623 -2.933 1.00 0.00 WT2 O ATOM 28424 H1 TIP3 1561 68.918 26.080 -3.720 1.00 0.00 WT2 H ATOM 28425 H2 TIP3 1561 68.174 27.248 -3.109 1.00 0.00 WT2 H ATOM 28426 OH2 TIP3 1576 26.852 66.426 37.064 1.00 0.00 WT2 O ATOM 28427 H1 TIP3 1576 27.628 66.828 36.675 1.00 0.00 WT2 H ATOM 28428 H2 TIP3 1576 26.658 65.679 36.498 1.00 0.00 WT2 H ATOM 28429 OH2 TIP3 1577 55.808 29.693 57.066 1.00 0.00 WT2 O ATOM 28430 H1 TIP3 1577 56.019 30.598 56.835 1.00 0.00 WT2 H ATOM 28431 H2 TIP3 1577 54.998 29.507 56.591 1.00 0.00 WT2 H ATOM 28432 OH2 TIP3 1578 33.170 69.276 42.938 1.00 0.00 WT2 O ATOM 28433 H1 TIP3 1578 32.633 69.865 43.468 1.00 0.00 WT2 H ATOM 28434 H2 TIP3 1578 33.915 69.061 43.499 1.00 0.00 WT2 H ATOM 28435 OH2 TIP3 1579 50.022 51.989 65.308 1.00 0.00 WT2 O ATOM 28436 H1 TIP3 1579 49.263 52.360 65.757 1.00 0.00 WT2 H ATOM 28437 H2 TIP3 1579 49.649 51.409 64.644 1.00 0.00 WT2 H ATOM 28438 OH2 TIP3 1580 48.443 53.689 7.501 1.00 0.00 WT2 O ATOM 28439 H1 TIP3 1580 48.990 54.474 7.540 1.00 0.00 WT2 H ATOM 28440 H2 TIP3 1580 47.939 53.707 8.315 1.00 0.00 WT2 H ATOM 28441 OH2 TIP3 1582 35.657 37.396 22.732 1.00 0.00 WT2 O ATOM 28442 H1 TIP3 1582 35.945 37.879 23.506 1.00 0.00 WT2 H ATOM 28443 H2 TIP3 1582 36.424 37.379 22.160 1.00 0.00 WT2 H ATOM 28444 OH2 TIP3 1583 90.543 25.462 12.367 1.00 0.00 WT2 O ATOM 28445 H1 TIP3 1583 90.673 24.582 12.719 1.00 0.00 WT2 H ATOM 28446 H2 TIP3 1583 89.650 25.694 12.622 1.00 0.00 WT2 H ATOM 28447 OH2 TIP3 1599 41.156 32.426 65.915 1.00 0.00 WT2 O ATOM 28448 H1 TIP3 1599 41.059 31.987 66.760 1.00 0.00 WT2 H ATOM 28449 H2 TIP3 1599 40.819 33.310 66.064 1.00 0.00 WT2 H ATOM 28450 OH2 TIP3 1601 57.969 67.449 64.859 1.00 0.00 WT2 O ATOM 28451 H1 TIP3 1601 57.411 67.341 64.089 1.00 0.00 WT2 H ATOM 28452 H2 TIP3 1601 57.989 68.394 65.010 1.00 0.00 WT2 H ATOM 28453 OH2 TIP3 1604 58.348 34.378 62.901 1.00 0.00 WT2 O ATOM 28454 H1 TIP3 1604 58.228 34.398 61.952 1.00 0.00 WT2 H ATOM 28455 H2 TIP3 1604 57.597 34.858 63.248 1.00 0.00 WT2 H ATOM 28456 OH2 TIP3 1605 78.339 35.213 60.737 1.00 0.00 WT2 O ATOM 28457 H1 TIP3 1605 77.698 35.471 61.399 1.00 0.00 WT2 H ATOM 28458 H2 TIP3 1605 79.187 35.393 61.142 1.00 0.00 WT2 H ATOM 28459 OH2 TIP3 1616 35.230 13.789 -17.494 1.00 0.00 WT2 O ATOM 28460 H1 TIP3 1616 35.845 13.906 -18.218 1.00 0.00 WT2 H ATOM 28461 H2 TIP3 1616 34.836 14.653 -17.372 1.00 0.00 WT2 H ATOM 28462 OH2 TIP3 1617 65.038 61.989 62.638 1.00 0.00 WT2 O ATOM 28463 H1 TIP3 1617 64.609 62.805 62.379 1.00 0.00 WT2 H ATOM 28464 H2 TIP3 1617 64.347 61.329 62.589 1.00 0.00 WT2 H ATOM 28465 OH2 TIP3 1618 25.308 62.510 24.007 1.00 0.00 WT2 O ATOM 28466 H1 TIP3 1618 25.533 61.622 23.730 1.00 0.00 WT2 H ATOM 28467 H2 TIP3 1618 26.090 62.825 24.460 1.00 0.00 WT2 H ATOM 28468 OH2 TIP3 1620 38.503 70.068 -19.525 1.00 0.00 WT2 O ATOM 28469 H1 TIP3 1620 38.209 70.774 -20.101 1.00 0.00 WT2 H ATOM 28470 H2 TIP3 1620 37.998 70.188 -18.721 1.00 0.00 WT2 H ATOM 28471 OH2 TIP3 1621 23.526 24.383 12.585 1.00 0.00 WT2 O ATOM 28472 H1 TIP3 1621 23.616 25.129 13.178 1.00 0.00 WT2 H ATOM 28473 H2 TIP3 1621 24.356 23.912 12.664 1.00 0.00 WT2 H ATOM 28474 OH2 TIP3 1622 82.979 44.113 47.410 1.00 0.00 WT2 O ATOM 28475 H1 TIP3 1622 83.532 43.454 47.829 1.00 0.00 WT2 H ATOM 28476 H2 TIP3 1622 82.099 43.738 47.432 1.00 0.00 WT2 H ATOM 28477 OH2 TIP3 1623 31.775 29.565 67.318 1.00 0.00 WT2 O ATOM 28478 H1 TIP3 1623 31.940 30.094 66.537 1.00 0.00 WT2 H ATOM 28479 H2 TIP3 1623 32.643 29.414 67.693 1.00 0.00 WT2 H ATOM 28480 OH2 TIP3 1624 35.444 84.712 -16.729 1.00 0.00 WT2 O ATOM 28481 H1 TIP3 1624 34.784 85.355 -16.988 1.00 0.00 WT2 H ATOM 28482 H2 TIP3 1624 36.014 85.184 -16.121 1.00 0.00 WT2 H ATOM 28483 OH2 TIP3 1625 22.967 86.992 58.346 1.00 0.00 WT2 O ATOM 28484 H1 TIP3 1625 22.826 87.622 57.639 1.00 0.00 WT2 H ATOM 28485 H2 TIP3 1625 22.700 87.458 59.138 1.00 0.00 WT2 H ATOM 28486 OH2 TIP3 1628 74.216 57.471 7.443 1.00 0.00 WT2 O ATOM 28487 H1 TIP3 1628 74.567 57.681 8.309 1.00 0.00 WT2 H ATOM 28488 H2 TIP3 1628 73.273 57.385 7.581 1.00 0.00 WT2 H ATOM 28489 OH2 TIP3 1638 32.620 74.926 25.453 1.00 0.00 WT2 O ATOM 28490 H1 TIP3 1638 32.414 75.059 24.528 1.00 0.00 WT2 H ATOM 28491 H2 TIP3 1638 32.085 75.573 25.913 1.00 0.00 WT2 H ATOM 28492 OH2 TIP3 1639 65.546 69.712 65.126 1.00 0.00 WT2 O ATOM 28493 H1 TIP3 1639 66.325 69.849 64.587 1.00 0.00 WT2 H ATOM 28494 H2 TIP3 1639 64.883 69.393 64.514 1.00 0.00 WT2 H ATOM 28495 OH2 TIP3 1640 57.446 1.225 40.703 1.00 0.00 WT2 O ATOM 28496 H1 TIP3 1640 58.041 0.831 40.066 1.00 0.00 WT2 H ATOM 28497 H2 TIP3 1640 56.637 0.719 40.621 1.00 0.00 WT2 H ATOM 28498 OH2 TIP3 1641 62.994 7.858 47.204 1.00 0.00 WT2 O ATOM 28499 H1 TIP3 1641 63.557 8.505 46.780 1.00 0.00 WT2 H ATOM 28500 H2 TIP3 1641 63.499 7.045 47.176 1.00 0.00 WT2 H ATOM 28501 OH2 TIP3 1643 74.505 61.260 45.975 1.00 0.00 WT2 O ATOM 28502 H1 TIP3 1643 73.878 60.768 46.505 1.00 0.00 WT2 H ATOM 28503 H2 TIP3 1643 74.897 61.884 46.587 1.00 0.00 WT2 H ATOM 28504 OH2 TIP3 1645 30.145 73.500 40.695 1.00 0.00 WT2 O ATOM 28505 H1 TIP3 1645 29.792 74.028 39.980 1.00 0.00 WT2 H ATOM 28506 H2 TIP3 1645 30.667 72.825 40.261 1.00 0.00 WT2 H ATOM 28507 OH2 TIP3 1647 42.305 19.492 62.308 1.00 0.00 WT2 O ATOM 28508 H1 TIP3 1647 42.607 18.965 61.568 1.00 0.00 WT2 H ATOM 28509 H2 TIP3 1647 41.350 19.449 62.260 1.00 0.00 WT2 H ATOM 28510 OH2 TIP3 1648 71.438 65.713 6.363 1.00 0.00 WT2 O ATOM 28511 H1 TIP3 1648 71.476 64.980 6.979 1.00 0.00 WT2 H ATOM 28512 H2 TIP3 1648 70.599 65.605 5.915 1.00 0.00 WT2 H ATOM 28513 OH2 TIP3 1656 27.490 8.416 35.609 1.00 0.00 WT2 O ATOM 28514 H1 TIP3 1656 26.758 7.978 35.174 1.00 0.00 WT2 H ATOM 28515 H2 TIP3 1656 27.103 8.810 36.391 1.00 0.00 WT2 H ATOM 28516 OH2 TIP3 1658 73.605 33.136 54.215 1.00 0.00 WT2 O ATOM 28517 H1 TIP3 1658 73.978 33.765 53.597 1.00 0.00 WT2 H ATOM 28518 H2 TIP3 1658 74.057 32.314 54.023 1.00 0.00 WT2 H ATOM 28519 OH2 TIP3 1659 26.109 60.609 16.731 1.00 0.00 WT2 O ATOM 28520 H1 TIP3 1659 26.368 61.529 16.780 1.00 0.00 WT2 H ATOM 28521 H2 TIP3 1659 25.361 60.538 17.323 1.00 0.00 WT2 H ATOM 28522 OH2 TIP3 1661 81.073 77.441 66.654 1.00 0.00 WT2 O ATOM 28523 H1 TIP3 1661 80.306 77.640 66.117 1.00 0.00 WT2 H ATOM 28524 H2 TIP3 1661 81.690 78.147 66.463 1.00 0.00 WT2 H ATOM 28525 OH2 TIP3 1662 39.853 91.226 1.888 1.00 0.00 WT2 O ATOM 28526 H1 TIP3 1662 39.804 90.406 2.380 1.00 0.00 WT2 H ATOM 28527 H2 TIP3 1662 38.950 91.541 1.856 1.00 0.00 WT2 H ATOM 28528 OH2 TIP3 1663 86.372 80.326 9.824 1.00 0.00 WT2 O ATOM 28529 H1 TIP3 1663 86.188 81.124 9.329 1.00 0.00 WT2 H ATOM 28530 H2 TIP3 1663 85.623 80.230 10.413 1.00 0.00 WT2 H ATOM 28531 OH2 TIP3 1664 80.245 36.460 -18.235 1.00 0.00 WT2 O ATOM 28532 H1 TIP3 1664 79.301 36.610 -18.294 1.00 0.00 WT2 H ATOM 28533 H2 TIP3 1664 80.599 36.836 -19.042 1.00 0.00 WT2 H ATOM 28534 OH2 TIP3 1665 56.370 32.238 34.265 1.00 0.00 WT2 O ATOM 28535 H1 TIP3 1665 55.572 32.739 34.096 1.00 0.00 WT2 H ATOM 28536 H2 TIP3 1665 56.099 31.552 34.875 1.00 0.00 WT2 H ATOM 28537 OH2 TIP3 1666 46.998 62.648 64.493 1.00 0.00 WT2 O ATOM 28538 H1 TIP3 1666 47.664 62.772 63.818 1.00 0.00 WT2 H ATOM 28539 H2 TIP3 1666 46.299 63.257 64.256 1.00 0.00 WT2 H ATOM 28540 OH2 TIP3 1667 36.864 69.500 -17.275 1.00 0.00 WT2 O ATOM 28541 H1 TIP3 1667 36.730 70.062 -16.512 1.00 0.00 WT2 H ATOM 28542 H2 TIP3 1667 36.130 69.705 -17.855 1.00 0.00 WT2 H ATOM 28543 OH2 TIP3 1681 37.160 42.934 -14.912 1.00 0.00 WT2 O ATOM 28544 H1 TIP3 1681 36.310 43.255 -14.610 1.00 0.00 WT2 H ATOM 28545 H2 TIP3 1681 37.642 43.725 -15.155 1.00 0.00 WT2 H ATOM 28546 OH2 TIP3 1683 56.610 19.167 60.680 1.00 0.00 WT2 O ATOM 28547 H1 TIP3 1683 55.673 19.109 60.493 1.00 0.00 WT2 H ATOM 28548 H2 TIP3 1683 57.031 18.743 59.931 1.00 0.00 WT2 H ATOM 28549 OH2 TIP3 1684 89.933 41.519 33.724 1.00 0.00 WT2 O ATOM 28550 H1 TIP3 1684 89.996 40.949 32.958 1.00 0.00 WT2 H ATOM 28551 H2 TIP3 1684 89.186 42.088 33.539 1.00 0.00 WT2 H ATOM 28552 OH2 TIP3 1686 46.077 95.200 56.719 1.00 0.00 WT2 O ATOM 28553 H1 TIP3 1686 46.321 95.162 55.794 1.00 0.00 WT2 H ATOM 28554 H2 TIP3 1686 45.826 94.302 56.937 1.00 0.00 WT2 H ATOM 28555 OH2 TIP3 1687 24.638 38.367 28.014 1.00 0.00 WT2 O ATOM 28556 H1 TIP3 1687 24.018 38.721 27.377 1.00 0.00 WT2 H ATOM 28557 H2 TIP3 1687 24.803 39.092 28.618 1.00 0.00 WT2 H ATOM 28558 OH2 TIP3 1688 53.046 53.443 -0.219 1.00 0.00 WT2 O ATOM 28559 H1 TIP3 1688 53.381 54.337 -0.293 1.00 0.00 WT2 H ATOM 28560 H2 TIP3 1688 52.499 53.455 0.566 1.00 0.00 WT2 H ATOM 28561 OH2 TIP3 1689 60.567 17.741 64.262 1.00 0.00 WT2 O ATOM 28562 H1 TIP3 1689 59.884 17.220 63.839 1.00 0.00 WT2 H ATOM 28563 H2 TIP3 1689 60.808 17.236 65.038 1.00 0.00 WT2 H ATOM 28564 OH2 TIP3 1691 64.887 42.953 59.441 1.00 0.00 WT2 O ATOM 28565 H1 TIP3 1691 64.961 42.409 58.657 1.00 0.00 WT2 H ATOM 28566 H2 TIP3 1691 65.789 43.191 59.654 1.00 0.00 WT2 H ATOM 28567 OH2 TIP3 1701 23.763 85.542 22.899 1.00 0.00 WT2 O ATOM 28568 H1 TIP3 1701 23.856 85.722 23.835 1.00 0.00 WT2 H ATOM 28569 H2 TIP3 1701 24.550 85.917 22.504 1.00 0.00 WT2 H ATOM 28570 OH2 TIP3 1702 76.342 68.893 -1.929 1.00 0.00 WT2 O ATOM 28571 H1 TIP3 1702 76.529 68.607 -1.035 1.00 0.00 WT2 H ATOM 28572 H2 TIP3 1702 76.273 68.080 -2.431 1.00 0.00 WT2 H ATOM 28573 OH2 TIP3 1704 22.269 79.721 36.243 1.00 0.00 WT2 O ATOM 28574 H1 TIP3 1704 22.322 80.676 36.278 1.00 0.00 WT2 H ATOM 28575 H2 TIP3 1704 21.918 79.531 35.373 1.00 0.00 WT2 H ATOM 28576 OH2 TIP3 1706 39.417 43.215 50.569 1.00 0.00 WT2 O ATOM 28577 H1 TIP3 1706 38.952 44.049 50.497 1.00 0.00 WT2 H ATOM 28578 H2 TIP3 1706 40.310 43.459 50.811 1.00 0.00 WT2 H ATOM 28579 OH2 TIP3 1707 87.650 70.516 62.084 1.00 0.00 WT2 O ATOM 28580 H1 TIP3 1707 87.165 71.320 62.271 1.00 0.00 WT2 H ATOM 28581 H2 TIP3 1707 87.007 69.939 61.672 1.00 0.00 WT2 H ATOM 28582 OH2 TIP3 1708 47.910 42.390 -0.313 1.00 0.00 WT2 O ATOM 28583 H1 TIP3 1708 47.444 43.019 0.238 1.00 0.00 WT2 H ATOM 28584 H2 TIP3 1708 47.823 41.556 0.149 1.00 0.00 WT2 H ATOM 28585 OH2 TIP3 1710 85.541 48.564 -19.559 1.00 0.00 WT2 O ATOM 28586 H1 TIP3 1710 86.137 49.055 -18.994 1.00 0.00 WT2 H ATOM 28587 H2 TIP3 1710 84.667 48.854 -19.296 1.00 0.00 WT2 H ATOM 28588 OH2 TIP3 1723 49.938 24.011 52.367 1.00 0.00 WT2 O ATOM 28589 H1 TIP3 1723 49.482 23.178 52.250 1.00 0.00 WT2 H ATOM 28590 H2 TIP3 1723 49.310 24.566 52.828 1.00 0.00 WT2 H ATOM 28591 OH2 TIP3 1725 67.460 80.241 1.060 1.00 0.00 WT2 O ATOM 28592 H1 TIP3 1725 67.383 80.690 0.218 1.00 0.00 WT2 H ATOM 28593 H2 TIP3 1725 66.560 80.022 1.299 1.00 0.00 WT2 H ATOM 28594 OH2 TIP3 1728 58.719 33.002 11.543 1.00 0.00 WT2 O ATOM 28595 H1 TIP3 1728 58.381 33.858 11.804 1.00 0.00 WT2 H ATOM 28596 H2 TIP3 1728 59.559 32.928 11.996 1.00 0.00 WT2 H ATOM 28597 OH2 TIP3 1730 86.059 29.509 5.044 1.00 0.00 WT2 O ATOM 28598 H1 TIP3 1730 85.991 28.651 4.625 1.00 0.00 WT2 H ATOM 28599 H2 TIP3 1730 85.175 29.691 5.363 1.00 0.00 WT2 H ATOM 28600 OH2 TIP3 1731 48.298 46.691 58.396 1.00 0.00 WT2 O ATOM 28601 H1 TIP3 1731 47.470 47.155 58.518 1.00 0.00 WT2 H ATOM 28602 H2 TIP3 1731 48.810 47.260 57.823 1.00 0.00 WT2 H ATOM 28603 OH2 TIP3 1733 66.017 87.919 63.898 1.00 0.00 WT2 O ATOM 28604 H1 TIP3 1733 66.909 88.094 64.198 1.00 0.00 WT2 H ATOM 28605 H2 TIP3 1733 66.037 87.009 63.602 1.00 0.00 WT2 H ATOM 28606 OH2 TIP3 1738 49.571 80.254 -15.269 1.00 0.00 WT2 O ATOM 28607 H1 TIP3 1738 48.983 80.650 -14.626 1.00 0.00 WT2 H ATOM 28608 H2 TIP3 1738 50.201 79.759 -14.745 1.00 0.00 WT2 H ATOM 28609 OH2 TIP3 1744 25.900 28.921 26.608 1.00 0.00 WT2 O ATOM 28610 H1 TIP3 1744 26.330 28.080 26.454 1.00 0.00 WT2 H ATOM 28611 H2 TIP3 1744 25.218 28.969 25.937 1.00 0.00 WT2 H ATOM 28612 OH2 TIP3 1746 58.980 10.503 2.040 1.00 0.00 WT2 O ATOM 28613 H1 TIP3 1746 59.102 10.459 2.988 1.00 0.00 WT2 H ATOM 28614 H2 TIP3 1746 59.868 10.523 1.684 1.00 0.00 WT2 H ATOM 28615 OH2 TIP3 1747 36.827 48.085 -3.353 1.00 0.00 WT2 O ATOM 28616 H1 TIP3 1747 36.848 47.181 -3.040 1.00 0.00 WT2 H ATOM 28617 H2 TIP3 1747 37.738 48.375 -3.309 1.00 0.00 WT2 H ATOM 28618 OH2 TIP3 1748 56.776 91.696 17.737 1.00 0.00 WT2 O ATOM 28619 H1 TIP3 1748 56.308 92.279 17.138 1.00 0.00 WT2 H ATOM 28620 H2 TIP3 1748 56.084 91.231 18.208 1.00 0.00 WT2 H ATOM 28621 OH2 TIP3 1749 56.459 90.720 -7.511 1.00 0.00 WT2 O ATOM 28622 H1 TIP3 1749 55.830 90.041 -7.756 1.00 0.00 WT2 H ATOM 28623 H2 TIP3 1749 57.014 90.306 -6.850 1.00 0.00 WT2 H ATOM 28624 OH2 TIP3 1750 29.321 94.179 29.647 1.00 0.00 WT2 O ATOM 28625 H1 TIP3 1750 28.712 94.083 28.915 1.00 0.00 WT2 H ATOM 28626 H2 TIP3 1750 30.186 94.044 29.259 1.00 0.00 WT2 H ATOM 28627 OH2 TIP3 1751 88.402 94.597 57.532 1.00 0.00 WT2 O ATOM 28628 H1 TIP3 1751 88.299 93.920 58.200 1.00 0.00 WT2 H ATOM 28629 H2 TIP3 1751 87.541 95.011 57.474 1.00 0.00 WT2 H ATOM 28630 OH2 TIP3 1764 49.178 10.070 -9.703 1.00 0.00 WT2 O ATOM 28631 H1 TIP3 1764 49.061 10.783 -10.331 1.00 0.00 WT2 H ATOM 28632 H2 TIP3 1764 48.627 10.313 -8.959 1.00 0.00 WT2 H ATOM 28633 OH2 TIP3 1766 37.432 48.974 16.160 1.00 0.00 WT2 O ATOM 28634 H1 TIP3 1766 37.814 48.981 17.038 1.00 0.00 WT2 H ATOM 28635 H2 TIP3 1766 37.980 49.575 15.656 1.00 0.00 WT2 H ATOM 28636 OH2 TIP3 1767 81.032 51.715 42.226 1.00 0.00 WT2 O ATOM 28637 H1 TIP3 1767 80.331 51.943 42.837 1.00 0.00 WT2 H ATOM 28638 H2 TIP3 1767 80.628 51.098 41.616 1.00 0.00 WT2 H ATOM 28639 OH2 TIP3 1768 38.733 81.963 53.574 1.00 0.00 WT2 O ATOM 28640 H1 TIP3 1768 38.261 82.576 54.139 1.00 0.00 WT2 H ATOM 28641 H2 TIP3 1768 39.254 82.522 52.998 1.00 0.00 WT2 H ATOM 28642 OH2 TIP3 1769 71.249 71.415 30.178 1.00 0.00 WT2 O ATOM 28643 H1 TIP3 1769 70.308 71.245 30.216 1.00 0.00 WT2 H ATOM 28644 H2 TIP3 1769 71.372 72.204 30.707 1.00 0.00 WT2 H ATOM 28645 OH2 TIP3 1770 68.565 5.567 24.135 1.00 0.00 WT2 O ATOM 28646 H1 TIP3 1770 68.836 4.804 24.644 1.00 0.00 WT2 H ATOM 28647 H2 TIP3 1770 68.517 6.278 24.775 1.00 0.00 WT2 H ATOM 28648 OH2 TIP3 1771 78.921 89.185 -6.587 1.00 0.00 WT2 O ATOM 28649 H1 TIP3 1771 78.692 88.989 -5.678 1.00 0.00 WT2 H ATOM 28650 H2 TIP3 1771 78.871 90.139 -6.646 1.00 0.00 WT2 H ATOM 28651 OH2 TIP3 1773 78.630 74.554 49.461 1.00 0.00 WT2 O ATOM 28652 H1 TIP3 1773 78.895 73.881 50.087 1.00 0.00 WT2 H ATOM 28653 H2 TIP3 1773 77.813 74.225 49.086 1.00 0.00 WT2 H ATOM 28654 OH2 TIP3 1784 32.636 93.265 -5.675 1.00 0.00 WT2 O ATOM 28655 H1 TIP3 1784 33.099 93.778 -6.337 1.00 0.00 WT2 H ATOM 28656 H2 TIP3 1784 32.042 92.707 -6.177 1.00 0.00 WT2 H ATOM 28657 OH2 TIP3 1785 67.730 94.411 -12.560 1.00 0.00 WT2 O ATOM 28658 H1 TIP3 1785 67.475 94.955 -11.815 1.00 0.00 WT2 H ATOM 28659 H2 TIP3 1785 67.700 93.516 -12.224 1.00 0.00 WT2 H ATOM 28660 OH2 TIP3 1788 20.761 43.757 46.650 1.00 0.00 WT2 O ATOM 28661 H1 TIP3 1788 21.434 43.076 46.637 1.00 0.00 WT2 H ATOM 28662 H2 TIP3 1788 20.638 43.954 47.579 1.00 0.00 WT2 H ATOM 28663 OH2 TIP3 1789 21.567 52.150 2.082 1.00 0.00 WT2 O ATOM 28664 H1 TIP3 1789 22.198 52.128 1.362 1.00 0.00 WT2 H ATOM 28665 H2 TIP3 1789 20.786 51.725 1.730 1.00 0.00 WT2 H ATOM 28666 OH2 TIP3 1790 57.588 43.596 0.520 1.00 0.00 WT2 O ATOM 28667 H1 TIP3 1790 57.413 43.133 1.340 1.00 0.00 WT2 H ATOM 28668 H2 TIP3 1790 57.798 44.490 0.789 1.00 0.00 WT2 H ATOM 28669 OH2 TIP3 1791 57.735 79.667 64.039 1.00 0.00 WT2 O ATOM 28670 H1 TIP3 1791 57.850 79.252 64.894 1.00 0.00 WT2 H ATOM 28671 H2 TIP3 1791 58.442 79.310 63.502 1.00 0.00 WT2 H ATOM 28672 OH2 TIP3 1792 56.453 23.992 41.058 1.00 0.00 WT2 O ATOM 28673 H1 TIP3 1792 57.016 23.712 40.336 1.00 0.00 WT2 H ATOM 28674 H2 TIP3 1792 56.560 24.942 41.092 1.00 0.00 WT2 H ATOM 28675 OH2 TIP3 1795 55.897 91.102 55.842 1.00 0.00 WT2 O ATOM 28676 H1 TIP3 1795 56.178 90.951 56.745 1.00 0.00 WT2 H ATOM 28677 H2 TIP3 1795 56.510 90.591 55.312 1.00 0.00 WT2 H ATOM 28678 OH2 TIP3 1796 34.707 10.727 -9.492 1.00 0.00 WT2 O ATOM 28679 H1 TIP3 1796 33.961 11.109 -9.955 1.00 0.00 WT2 H ATOM 28680 H2 TIP3 1796 35.332 10.507 -10.183 1.00 0.00 WT2 H ATOM 28681 OH2 TIP3 1810 45.802 17.617 -16.880 1.00 0.00 WT2 O ATOM 28682 H1 TIP3 1810 46.139 18.091 -16.120 1.00 0.00 WT2 H ATOM 28683 H2 TIP3 1810 45.198 18.232 -17.298 1.00 0.00 WT2 H ATOM 28684 OH2 TIP3 1811 33.289 67.150 60.265 1.00 0.00 WT2 O ATOM 28685 H1 TIP3 1811 33.591 66.933 59.382 1.00 0.00 WT2 H ATOM 28686 H2 TIP3 1811 33.158 66.301 60.688 1.00 0.00 WT2 H ATOM 28687 OH2 TIP3 1813 72.595 15.093 -2.238 1.00 0.00 WT2 O ATOM 28688 H1 TIP3 1813 72.884 15.635 -1.504 1.00 0.00 WT2 H ATOM 28689 H2 TIP3 1813 71.641 15.078 -2.164 1.00 0.00 WT2 H ATOM 28690 OH2 TIP3 1814 42.117 35.342 -7.054 1.00 0.00 WT2 O ATOM 28691 H1 TIP3 1814 41.501 34.671 -6.760 1.00 0.00 WT2 H ATOM 28692 H2 TIP3 1814 42.819 34.851 -7.481 1.00 0.00 WT2 H ATOM 28693 OH2 TIP3 1816 24.306 48.497 -12.317 1.00 0.00 WT2 O ATOM 28694 H1 TIP3 1816 24.717 48.833 -13.113 1.00 0.00 WT2 H ATOM 28695 H2 TIP3 1816 23.651 47.872 -12.630 1.00 0.00 WT2 H ATOM 28696 OH2 TIP3 1824 29.868 53.788 65.135 1.00 0.00 WT2 O ATOM 28697 H1 TIP3 1824 30.569 53.463 65.701 1.00 0.00 WT2 H ATOM 28698 H2 TIP3 1824 29.136 53.952 65.730 1.00 0.00 WT2 H ATOM 28699 OH2 TIP3 1829 82.555 66.782 61.329 1.00 0.00 WT2 O ATOM 28700 H1 TIP3 1829 83.351 66.646 60.815 1.00 0.00 WT2 H ATOM 28701 H2 TIP3 1829 81.847 66.484 60.758 1.00 0.00 WT2 H ATOM 28702 OH2 TIP3 1830 30.020 42.435 -5.949 1.00 0.00 WT2 O ATOM 28703 H1 TIP3 1830 29.580 42.520 -5.103 1.00 0.00 WT2 H ATOM 28704 H2 TIP3 1830 30.447 43.281 -6.084 1.00 0.00 WT2 H ATOM 28705 OH2 TIP3 1831 48.111 6.040 66.336 1.00 0.00 WT2 O ATOM 28706 H1 TIP3 1831 48.612 5.232 66.224 1.00 0.00 WT2 H ATOM 28707 H2 TIP3 1831 47.200 5.752 66.389 1.00 0.00 WT2 H ATOM 28708 OH2 TIP3 1832 40.271 85.415 38.167 1.00 0.00 WT2 O ATOM 28709 H1 TIP3 1832 40.683 84.891 38.854 1.00 0.00 WT2 H ATOM 28710 H2 TIP3 1832 40.049 84.782 37.483 1.00 0.00 WT2 H ATOM 28711 OH2 TIP3 1835 76.710 49.753 32.406 1.00 0.00 WT2 O ATOM 28712 H1 TIP3 1835 75.953 49.836 31.826 1.00 0.00 WT2 H ATOM 28713 H2 TIP3 1835 76.527 50.354 33.128 1.00 0.00 WT2 H ATOM 28714 OH2 TIP3 1837 75.128 59.698 26.038 1.00 0.00 WT2 O ATOM 28715 H1 TIP3 1837 75.113 60.208 25.228 1.00 0.00 WT2 H ATOM 28716 H2 TIP3 1837 74.659 58.892 25.823 1.00 0.00 WT2 H ATOM 28717 OH2 TIP3 1847 36.556 22.864 52.187 1.00 0.00 WT2 O ATOM 28718 H1 TIP3 1847 36.249 23.530 52.803 1.00 0.00 WT2 H ATOM 28719 H2 TIP3 1847 36.912 23.363 51.452 1.00 0.00 WT2 H ATOM 28720 OH2 TIP3 1850 86.906 2.012 40.142 1.00 0.00 WT2 O ATOM 28721 H1 TIP3 1850 86.974 1.873 39.197 1.00 0.00 WT2 H ATOM 28722 H2 TIP3 1850 87.637 1.516 40.510 1.00 0.00 WT2 H ATOM 28723 OH2 TIP3 1851 56.415 32.270 51.069 1.00 0.00 WT2 O ATOM 28724 H1 TIP3 1851 55.811 32.677 50.448 1.00 0.00 WT2 H ATOM 28725 H2 TIP3 1851 57.060 31.825 50.518 1.00 0.00 WT2 H ATOM 28726 OH2 TIP3 1852 50.228 76.355 -19.832 1.00 0.00 WT2 O ATOM 28727 H1 TIP3 1852 50.450 76.340 -18.901 1.00 0.00 WT2 H ATOM 28728 H2 TIP3 1852 50.272 75.438 -20.103 1.00 0.00 WT2 H ATOM 28729 OH2 TIP3 1853 63.134 4.047 -14.373 1.00 0.00 WT2 O ATOM 28730 H1 TIP3 1853 63.426 4.323 -13.504 1.00 0.00 WT2 H ATOM 28731 H2 TIP3 1853 63.634 3.251 -14.553 1.00 0.00 WT2 H ATOM 28732 OH2 TIP3 1854 20.557 63.167 46.859 1.00 0.00 WT2 O ATOM 28733 H1 TIP3 1854 19.917 63.789 46.512 1.00 0.00 WT2 H ATOM 28734 H2 TIP3 1854 20.875 62.696 46.088 1.00 0.00 WT2 H ATOM 28735 OH2 TIP3 1855 70.538 89.981 55.132 1.00 0.00 WT2 O ATOM 28736 H1 TIP3 1855 70.362 89.666 56.019 1.00 0.00 WT2 H ATOM 28737 H2 TIP3 1855 70.606 89.185 54.604 1.00 0.00 WT2 H ATOM 28738 OH2 TIP3 1856 85.319 2.368 -9.164 1.00 0.00 WT2 O ATOM 28739 H1 TIP3 1856 85.086 1.440 -9.186 1.00 0.00 WT2 H ATOM 28740 H2 TIP3 1856 84.481 2.824 -9.085 1.00 0.00 WT2 H ATOM 28741 OH2 TIP3 1870 63.103 1.027 -1.440 1.00 0.00 WT2 O ATOM 28742 H1 TIP3 1870 63.487 0.542 -2.170 1.00 0.00 WT2 H ATOM 28743 H2 TIP3 1870 63.575 1.860 -1.431 1.00 0.00 WT2 H ATOM 28744 OH2 TIP3 1871 82.663 83.530 28.209 1.00 0.00 WT2 O ATOM 28745 H1 TIP3 1871 82.933 82.890 28.868 1.00 0.00 WT2 H ATOM 28746 H2 TIP3 1871 81.754 83.304 28.013 1.00 0.00 WT2 H ATOM 28747 OH2 TIP3 1872 64.087 13.140 6.454 1.00 0.00 WT2 O ATOM 28748 H1 TIP3 1872 63.940 12.286 6.048 1.00 0.00 WT2 H ATOM 28749 H2 TIP3 1872 65.038 13.249 6.445 1.00 0.00 WT2 H ATOM 28750 OH2 TIP3 1873 39.611 26.814 31.159 1.00 0.00 WT2 O ATOM 28751 H1 TIP3 1873 39.392 27.572 30.617 1.00 0.00 WT2 H ATOM 28752 H2 TIP3 1873 40.508 26.591 30.909 1.00 0.00 WT2 H ATOM 28753 OH2 TIP3 1875 46.081 8.353 6.496 1.00 0.00 WT2 O ATOM 28754 H1 TIP3 1875 46.842 7.995 6.951 1.00 0.00 WT2 H ATOM 28755 H2 TIP3 1875 46.114 9.293 6.675 1.00 0.00 WT2 H ATOM 28756 OH2 TIP3 1877 70.374 31.950 57.331 1.00 0.00 WT2 O ATOM 28757 H1 TIP3 1877 69.757 31.959 56.599 1.00 0.00 WT2 H ATOM 28758 H2 TIP3 1877 71.051 32.579 57.081 1.00 0.00 WT2 H ATOM 28759 OH2 TIP3 1881 62.902 26.199 50.418 1.00 0.00 WT2 O ATOM 28760 H1 TIP3 1881 62.607 25.952 49.541 1.00 0.00 WT2 H ATOM 28761 H2 TIP3 1881 63.857 26.206 50.356 1.00 0.00 WT2 H ATOM 28762 OH2 TIP3 1885 30.998 66.551 13.676 1.00 0.00 WT2 O ATOM 28763 H1 TIP3 1885 31.112 66.106 12.837 1.00 0.00 WT2 H ATOM 28764 H2 TIP3 1885 31.887 66.657 14.015 1.00 0.00 WT2 H ATOM 28765 OH2 TIP3 1891 48.078 15.363 -9.718 1.00 0.00 WT2 O ATOM 28766 H1 TIP3 1891 48.225 16.304 -9.622 1.00 0.00 WT2 H ATOM 28767 H2 TIP3 1891 47.168 15.291 -10.005 1.00 0.00 WT2 H ATOM 28768 OH2 TIP3 1892 84.061 88.418 30.246 1.00 0.00 WT2 O ATOM 28769 H1 TIP3 1892 84.294 87.763 30.905 1.00 0.00 WT2 H ATOM 28770 H2 TIP3 1892 83.870 87.908 29.459 1.00 0.00 WT2 H ATOM 28771 OH2 TIP3 1894 88.546 9.666 42.321 1.00 0.00 WT2 O ATOM 28772 H1 TIP3 1894 88.019 10.028 43.032 1.00 0.00 WT2 H ATOM 28773 H2 TIP3 1894 89.070 8.980 42.736 1.00 0.00 WT2 H ATOM 28774 OH2 TIP3 1895 76.103 5.551 4.697 1.00 0.00 WT2 O ATOM 28775 H1 TIP3 1895 77.022 5.450 4.946 1.00 0.00 WT2 H ATOM 28776 H2 TIP3 1895 75.614 5.196 5.440 1.00 0.00 WT2 H ATOM 28777 OH2 TIP3 1896 43.976 41.138 -12.705 1.00 0.00 WT2 O ATOM 28778 H1 TIP3 1896 43.462 41.834 -12.295 1.00 0.00 WT2 H ATOM 28779 H2 TIP3 1896 43.893 40.395 -12.107 1.00 0.00 WT2 H ATOM 28780 OH2 TIP3 1897 86.770 4.870 -6.918 1.00 0.00 WT2 O ATOM 28781 H1 TIP3 1897 86.875 5.321 -7.756 1.00 0.00 WT2 H ATOM 28782 H2 TIP3 1897 85.907 5.140 -6.606 1.00 0.00 WT2 H ATOM 28783 OH2 TIP3 1911 21.092 46.591 62.321 1.00 0.00 WT2 O ATOM 28784 H1 TIP3 1911 20.581 45.898 62.738 1.00 0.00 WT2 H ATOM 28785 H2 TIP3 1911 20.501 46.964 61.667 1.00 0.00 WT2 H ATOM 28786 OH2 TIP3 1912 38.705 82.748 24.634 1.00 0.00 WT2 O ATOM 28787 H1 TIP3 1912 38.868 81.808 24.547 1.00 0.00 WT2 H ATOM 28788 H2 TIP3 1912 39.546 83.157 24.427 1.00 0.00 WT2 H ATOM 28789 OH2 TIP3 1913 88.271 9.680 39.650 1.00 0.00 WT2 O ATOM 28790 H1 TIP3 1913 88.303 9.939 40.571 1.00 0.00 WT2 H ATOM 28791 H2 TIP3 1913 88.996 10.154 39.243 1.00 0.00 WT2 H ATOM 28792 OH2 TIP3 1914 69.335 3.747 21.937 1.00 0.00 WT2 O ATOM 28793 H1 TIP3 1914 68.408 3.607 22.131 1.00 0.00 WT2 H ATOM 28794 H2 TIP3 1914 69.540 4.591 22.340 1.00 0.00 WT2 H ATOM 28795 OH2 TIP3 1915 63.453 78.708 34.961 1.00 0.00 WT2 O ATOM 28796 H1 TIP3 1915 62.744 78.575 34.331 1.00 0.00 WT2 H ATOM 28797 H2 TIP3 1915 63.569 77.853 35.375 1.00 0.00 WT2 H ATOM 28798 OH2 TIP3 1917 25.905 2.553 -11.842 1.00 0.00 WT2 O ATOM 28799 H1 TIP3 1917 26.502 3.104 -12.349 1.00 0.00 WT2 H ATOM 28800 H2 TIP3 1917 25.033 2.883 -12.058 1.00 0.00 WT2 H ATOM 28801 OH2 TIP3 1918 42.723 1.945 -14.637 1.00 0.00 WT2 O ATOM 28802 H1 TIP3 1918 42.580 2.891 -14.645 1.00 0.00 WT2 H ATOM 28803 H2 TIP3 1918 42.741 1.697 -15.561 1.00 0.00 WT2 H ATOM 28804 OH2 TIP3 1919 87.265 53.977 33.854 1.00 0.00 WT2 O ATOM 28805 H1 TIP3 1919 87.617 54.690 34.386 1.00 0.00 WT2 H ATOM 28806 H2 TIP3 1919 87.977 53.339 33.805 1.00 0.00 WT2 H ATOM 28807 OH2 TIP3 1931 37.828 23.544 -15.133 1.00 0.00 WT2 O ATOM 28808 H1 TIP3 1931 37.780 24.247 -15.782 1.00 0.00 WT2 H ATOM 28809 H2 TIP3 1931 37.373 23.893 -14.367 1.00 0.00 WT2 H ATOM 28810 OH2 TIP3 1934 53.591 61.608 64.116 1.00 0.00 WT2 O ATOM 28811 H1 TIP3 1934 52.639 61.700 64.145 1.00 0.00 WT2 H ATOM 28812 H2 TIP3 1934 53.737 60.698 63.858 1.00 0.00 WT2 H ATOM 28813 OH2 TIP3 1935 33.016 57.987 48.244 1.00 0.00 WT2 O ATOM 28814 H1 TIP3 1935 33.826 57.477 48.267 1.00 0.00 WT2 H ATOM 28815 H2 TIP3 1935 32.495 57.642 48.969 1.00 0.00 WT2 H ATOM 28816 OH2 TIP3 1936 77.868 18.486 41.207 1.00 0.00 WT2 O ATOM 28817 H1 TIP3 1936 77.120 18.610 41.791 1.00 0.00 WT2 H ATOM 28818 H2 TIP3 1936 78.525 19.106 41.523 1.00 0.00 WT2 H ATOM 28819 OH2 TIP3 1937 35.340 20.277 -17.266 1.00 0.00 WT2 O ATOM 28820 H1 TIP3 1937 34.409 20.253 -17.045 1.00 0.00 WT2 H ATOM 28821 H2 TIP3 1937 35.734 19.595 -16.722 1.00 0.00 WT2 H ATOM 28822 OH2 TIP3 1938 22.753 83.804 63.098 1.00 0.00 WT2 O ATOM 28823 H1 TIP3 1938 23.414 83.411 63.667 1.00 0.00 WT2 H ATOM 28824 H2 TIP3 1938 22.887 84.747 63.188 1.00 0.00 WT2 H ATOM 28825 OH2 TIP3 1950 57.390 31.083 0.390 1.00 0.00 WT2 O ATOM 28826 H1 TIP3 1950 57.978 30.328 0.413 1.00 0.00 WT2 H ATOM 28827 H2 TIP3 1950 57.675 31.632 1.120 1.00 0.00 WT2 H ATOM 28828 OH2 TIP3 1952 29.260 28.540 54.312 1.00 0.00 WT2 O ATOM 28829 H1 TIP3 1952 29.346 28.939 55.178 1.00 0.00 WT2 H ATOM 28830 H2 TIP3 1952 29.437 29.255 53.701 1.00 0.00 WT2 H ATOM 28831 OH2 TIP3 1953 88.823 22.135 58.552 1.00 0.00 WT2 O ATOM 28832 H1 TIP3 1953 88.678 22.586 57.720 1.00 0.00 WT2 H ATOM 28833 H2 TIP3 1953 89.775 22.061 58.622 1.00 0.00 WT2 H ATOM 28834 OH2 TIP3 1954 65.205 91.623 66.274 1.00 0.00 WT2 O ATOM 28835 H1 TIP3 1954 65.132 92.259 66.986 1.00 0.00 WT2 H ATOM 28836 H2 TIP3 1954 65.427 92.148 65.505 1.00 0.00 WT2 H ATOM 28837 OH2 TIP3 1955 34.966 45.414 21.476 1.00 0.00 WT2 O ATOM 28838 H1 TIP3 1955 35.177 45.430 22.410 1.00 0.00 WT2 H ATOM 28839 H2 TIP3 1955 35.357 44.602 21.155 1.00 0.00 WT2 H ATOM 28840 OH2 TIP3 1959 37.828 83.963 55.366 1.00 0.00 WT2 O ATOM 28841 H1 TIP3 1959 38.192 84.839 55.237 1.00 0.00 WT2 H ATOM 28842 H2 TIP3 1959 37.049 84.103 55.904 1.00 0.00 WT2 H ATOM 28843 OH2 TIP3 1976 90.594 79.628 22.769 1.00 0.00 WT2 O ATOM 28844 H1 TIP3 1976 90.570 78.711 23.043 1.00 0.00 WT2 H ATOM 28845 H2 TIP3 1976 89.890 79.704 22.125 1.00 0.00 WT2 H ATOM 28846 OH2 TIP3 1977 33.272 65.967 48.883 1.00 0.00 WT2 O ATOM 28847 H1 TIP3 1977 33.442 66.016 47.943 1.00 0.00 WT2 H ATOM 28848 H2 TIP3 1977 32.458 65.468 48.954 1.00 0.00 WT2 H ATOM 28849 OH2 TIP3 1978 43.752 51.476 -7.361 1.00 0.00 WT2 O ATOM 28850 H1 TIP3 1978 44.528 51.200 -6.873 1.00 0.00 WT2 H ATOM 28851 H2 TIP3 1978 44.097 51.842 -8.175 1.00 0.00 WT2 H ATOM 28852 OH2 TIP3 1979 86.789 12.474 57.078 1.00 0.00 WT2 O ATOM 28853 H1 TIP3 1979 86.919 12.363 56.137 1.00 0.00 WT2 H ATOM 28854 H2 TIP3 1979 87.165 13.332 57.274 1.00 0.00 WT2 H ATOM 28855 OH2 TIP3 1983 31.063 11.788 39.497 1.00 0.00 WT2 O ATOM 28856 H1 TIP3 1983 31.648 12.519 39.300 1.00 0.00 WT2 H ATOM 28857 H2 TIP3 1983 31.631 11.018 39.495 1.00 0.00 WT2 H ATOM 28858 OH2 TIP3 1993 67.378 81.548 24.101 1.00 0.00 WT2 O ATOM 28859 H1 TIP3 1993 67.915 80.923 23.614 1.00 0.00 WT2 H ATOM 28860 H2 TIP3 1993 66.852 81.985 23.431 1.00 0.00 WT2 H ATOM 28861 OH2 TIP3 1998 77.035 24.525 49.646 1.00 0.00 WT2 O ATOM 28862 H1 TIP3 1998 77.667 24.958 49.071 1.00 0.00 WT2 H ATOM 28863 H2 TIP3 1998 76.304 24.300 49.072 1.00 0.00 WT2 H ATOM 28864 OH2 TIP3 1999 40.642 56.851 -9.146 1.00 0.00 WT2 O ATOM 28865 H1 TIP3 1999 40.787 55.944 -8.876 1.00 0.00 WT2 H ATOM 28866 H2 TIP3 1999 40.735 57.358 -8.339 1.00 0.00 WT2 H ATOM 28867 OH2 TIP3 2000 38.460 33.103 50.926 1.00 0.00 WT2 O ATOM 28868 H1 TIP3 2000 38.438 32.159 50.771 1.00 0.00 WT2 H ATOM 28869 H2 TIP3 2000 39.301 33.387 50.568 1.00 0.00 WT2 H ATOM 28870 OH2 TIP3 2001 43.509 37.098 -8.742 1.00 0.00 WT2 O ATOM 28871 H1 TIP3 2001 42.950 37.270 -9.501 1.00 0.00 WT2 H ATOM 28872 H2 TIP3 2001 43.043 36.422 -8.250 1.00 0.00 WT2 H ATOM 28873 OH2 TIP3 2002 37.416 25.510 37.085 1.00 0.00 WT2 O ATOM 28874 H1 TIP3 2002 37.728 26.343 36.729 1.00 0.00 WT2 H ATOM 28875 H2 TIP3 2002 37.883 24.844 36.581 1.00 0.00 WT2 H ATOM 28876 OH2 TIP3 2014 52.967 5.030 33.519 1.00 0.00 WT2 O ATOM 28877 H1 TIP3 2014 53.729 5.088 34.095 1.00 0.00 WT2 H ATOM 28878 H2 TIP3 2014 52.872 5.910 33.156 1.00 0.00 WT2 H ATOM 28879 OH2 TIP3 2016 76.474 36.486 43.183 1.00 0.00 WT2 O ATOM 28880 H1 TIP3 2016 77.055 37.100 42.733 1.00 0.00 WT2 H ATOM 28881 H2 TIP3 2016 76.857 36.389 44.055 1.00 0.00 WT2 H ATOM 28882 OH2 TIP3 2018 29.695 72.253 43.110 1.00 0.00 WT2 O ATOM 28883 H1 TIP3 2018 29.970 72.822 42.391 1.00 0.00 WT2 H ATOM 28884 H2 TIP3 2018 29.354 71.469 42.680 1.00 0.00 WT2 H ATOM 28885 OH2 TIP3 2019 77.371 96.194 56.036 1.00 0.00 WT2 O ATOM 28886 H1 TIP3 2019 77.940 96.958 56.129 1.00 0.00 WT2 H ATOM 28887 H2 TIP3 2019 76.488 96.558 55.981 1.00 0.00 WT2 H ATOM 28888 OH2 TIP3 2021 55.953 34.343 10.171 1.00 0.00 WT2 O ATOM 28889 H1 TIP3 2021 55.515 33.862 10.873 1.00 0.00 WT2 H ATOM 28890 H2 TIP3 2021 55.987 35.247 10.485 1.00 0.00 WT2 H ATOM 28891 OH2 TIP3 2022 32.852 81.127 -10.809 1.00 0.00 WT2 O ATOM 28892 H1 TIP3 2022 32.190 81.812 -10.706 1.00 0.00 WT2 H ATOM 28893 H2 TIP3 2022 33.276 81.073 -9.953 1.00 0.00 WT2 H ATOM 28894 OH2 TIP3 2024 82.081 52.876 64.393 1.00 0.00 WT2 O ATOM 28895 H1 TIP3 2024 81.775 52.046 64.028 1.00 0.00 WT2 H ATOM 28896 H2 TIP3 2024 81.296 53.279 64.764 1.00 0.00 WT2 H ATOM 28897 OH2 TIP3 2034 44.259 53.537 44.709 1.00 0.00 WT2 O ATOM 28898 H1 TIP3 2034 44.697 52.939 44.104 1.00 0.00 WT2 H ATOM 28899 H2 TIP3 2034 43.861 54.201 44.145 1.00 0.00 WT2 H ATOM 28900 OH2 TIP3 2037 63.116 26.671 45.769 1.00 0.00 WT2 O ATOM 28901 H1 TIP3 2037 62.755 27.554 45.836 1.00 0.00 WT2 H ATOM 28902 H2 TIP3 2037 62.461 26.180 45.272 1.00 0.00 WT2 H ATOM 28903 OH2 TIP3 2038 87.329 47.444 58.595 1.00 0.00 WT2 O ATOM 28904 H1 TIP3 2038 87.703 48.211 58.162 1.00 0.00 WT2 H ATOM 28905 H2 TIP3 2038 86.455 47.356 58.215 1.00 0.00 WT2 H ATOM 28906 OH2 TIP3 2039 23.995 93.817 9.484 1.00 0.00 WT2 O ATOM 28907 H1 TIP3 2039 23.977 94.530 8.847 1.00 0.00 WT2 H ATOM 28908 H2 TIP3 2039 23.073 93.637 9.670 1.00 0.00 WT2 H ATOM 28909 OH2 TIP3 2040 42.227 15.947 34.504 1.00 0.00 WT2 O ATOM 28910 H1 TIP3 2040 42.778 15.167 34.562 1.00 0.00 WT2 H ATOM 28911 H2 TIP3 2040 42.571 16.428 33.751 1.00 0.00 WT2 H ATOM 28912 OH2 TIP3 2042 46.628 63.868 15.883 1.00 0.00 WT2 O ATOM 28913 H1 TIP3 2042 46.627 64.496 16.606 1.00 0.00 WT2 H ATOM 28914 H2 TIP3 2042 47.530 63.552 15.842 1.00 0.00 WT2 H ATOM 28915 OH2 TIP3 2043 57.336 59.474 37.638 1.00 0.00 WT2 O ATOM 28916 H1 TIP3 2043 56.542 59.821 38.045 1.00 0.00 WT2 H ATOM 28917 H2 TIP3 2043 57.616 60.162 37.034 1.00 0.00 WT2 H ATOM 28918 OH2 TIP3 2044 55.888 88.078 1.517 1.00 0.00 WT2 O ATOM 28919 H1 TIP3 2044 55.654 88.343 0.627 1.00 0.00 WT2 H ATOM 28920 H2 TIP3 2044 55.240 87.413 1.748 1.00 0.00 WT2 H ATOM 28921 OH2 TIP3 2046 50.046 31.763 -11.371 1.00 0.00 WT2 O ATOM 28922 H1 TIP3 2046 50.221 31.937 -10.446 1.00 0.00 WT2 H ATOM 28923 H2 TIP3 2046 49.092 31.798 -11.446 1.00 0.00 WT2 H ATOM 28924 OH2 TIP3 2059 63.285 50.846 -12.284 1.00 0.00 WT2 O ATOM 28925 H1 TIP3 2059 63.627 51.148 -13.125 1.00 0.00 WT2 H ATOM 28926 H2 TIP3 2059 63.274 51.629 -11.734 1.00 0.00 WT2 H ATOM 28927 OH2 TIP3 2060 55.968 38.961 60.909 1.00 0.00 WT2 O ATOM 28928 H1 TIP3 2060 55.674 38.214 60.387 1.00 0.00 WT2 H ATOM 28929 H2 TIP3 2060 55.400 39.682 60.638 1.00 0.00 WT2 H ATOM 28930 OH2 TIP3 2061 30.892 43.290 5.628 1.00 0.00 WT2 O ATOM 28931 H1 TIP3 2061 30.851 44.193 5.312 1.00 0.00 WT2 H ATOM 28932 H2 TIP3 2061 29.998 43.093 5.910 1.00 0.00 WT2 H ATOM 28933 OH2 TIP3 2062 58.347 65.130 45.483 1.00 0.00 WT2 O ATOM 28934 H1 TIP3 2062 58.000 65.863 45.991 1.00 0.00 WT2 H ATOM 28935 H2 TIP3 2062 57.842 64.372 45.779 1.00 0.00 WT2 H ATOM 28936 OH2 TIP3 2063 38.399 43.081 58.151 1.00 0.00 WT2 O ATOM 28937 H1 TIP3 2063 38.724 42.756 58.990 1.00 0.00 WT2 H ATOM 28938 H2 TIP3 2063 37.520 43.406 58.344 1.00 0.00 WT2 H ATOM 28939 OH2 TIP3 2064 24.163 22.412 59.032 1.00 0.00 WT2 O ATOM 28940 H1 TIP3 2064 25.076 22.152 59.154 1.00 0.00 WT2 H ATOM 28941 H2 TIP3 2064 23.773 21.693 58.534 1.00 0.00 WT2 H ATOM 28942 OH2 TIP3 2066 50.328 80.470 30.475 1.00 0.00 WT2 O ATOM 28943 H1 TIP3 2066 49.415 80.408 30.754 1.00 0.00 WT2 H ATOM 28944 H2 TIP3 2066 50.358 80.000 29.642 1.00 0.00 WT2 H ATOM 28945 OH2 TIP3 2079 71.916 30.701 51.639 1.00 0.00 WT2 O ATOM 28946 H1 TIP3 2079 72.833 30.876 51.427 1.00 0.00 WT2 H ATOM 28947 H2 TIP3 2079 71.646 31.450 52.171 1.00 0.00 WT2 H ATOM 28948 OH2 TIP3 2081 61.633 49.498 58.527 1.00 0.00 WT2 O ATOM 28949 H1 TIP3 2081 61.720 49.649 57.586 1.00 0.00 WT2 H ATOM 28950 H2 TIP3 2081 61.253 50.308 58.866 1.00 0.00 WT2 H ATOM 28951 OH2 TIP3 2082 41.457 57.049 -14.769 1.00 0.00 WT2 O ATOM 28952 H1 TIP3 2082 41.335 57.178 -13.828 1.00 0.00 WT2 H ATOM 28953 H2 TIP3 2082 42.323 57.412 -14.951 1.00 0.00 WT2 H ATOM 28954 OH2 TIP3 2083 48.384 89.368 20.653 1.00 0.00 WT2 O ATOM 28955 H1 TIP3 2083 48.334 89.899 19.858 1.00 0.00 WT2 H ATOM 28956 H2 TIP3 2083 48.001 88.527 20.404 1.00 0.00 WT2 H ATOM 28957 OH2 TIP3 2084 25.256 69.507 50.892 1.00 0.00 WT2 O ATOM 28958 H1 TIP3 2084 25.356 68.845 50.208 1.00 0.00 WT2 H ATOM 28959 H2 TIP3 2084 25.071 70.317 50.416 1.00 0.00 WT2 H ATOM 28960 OH2 TIP3 2088 42.491 87.364 31.194 1.00 0.00 WT2 O ATOM 28961 H1 TIP3 2088 41.694 87.121 31.666 1.00 0.00 WT2 H ATOM 28962 H2 TIP3 2088 42.820 88.133 31.659 1.00 0.00 WT2 H ATOM 28963 OH2 TIP3 2101 21.958 4.957 49.910 1.00 0.00 WT2 O ATOM 28964 H1 TIP3 2101 22.690 4.344 49.839 1.00 0.00 WT2 H ATOM 28965 H2 TIP3 2101 22.168 5.655 49.289 1.00 0.00 WT2 H ATOM 28966 OH2 TIP3 2102 64.803 92.279 3.456 1.00 0.00 WT2 O ATOM 28967 H1 TIP3 2102 64.059 91.873 3.901 1.00 0.00 WT2 H ATOM 28968 H2 TIP3 2102 65.252 91.552 3.026 1.00 0.00 WT2 H ATOM 28969 OH2 TIP3 2103 86.263 80.985 63.858 1.00 0.00 WT2 O ATOM 28970 H1 TIP3 2103 86.910 80.909 64.558 1.00 0.00 WT2 H ATOM 28971 H2 TIP3 2103 85.490 81.354 64.284 1.00 0.00 WT2 H ATOM 28972 OH2 TIP3 2104 21.778 40.672 61.260 1.00 0.00 WT2 O ATOM 28973 H1 TIP3 2104 21.221 40.739 62.036 1.00 0.00 WT2 H ATOM 28974 H2 TIP3 2104 22.255 41.502 61.235 1.00 0.00 WT2 H ATOM 28975 OH2 TIP3 2105 79.815 2.629 58.674 1.00 0.00 WT2 O ATOM 28976 H1 TIP3 2105 80.166 3.398 58.226 1.00 0.00 WT2 H ATOM 28977 H2 TIP3 2105 80.303 2.586 59.496 1.00 0.00 WT2 H ATOM 28978 OH2 TIP3 2106 80.651 68.722 47.692 1.00 0.00 WT2 O ATOM 28979 H1 TIP3 2106 80.323 68.115 47.029 1.00 0.00 WT2 H ATOM 28980 H2 TIP3 2106 80.939 68.159 48.411 1.00 0.00 WT2 H ATOM 28981 OH2 TIP3 2108 34.184 36.968 29.712 1.00 0.00 WT2 O ATOM 28982 H1 TIP3 2108 34.839 36.838 29.026 1.00 0.00 WT2 H ATOM 28983 H2 TIP3 2108 34.311 37.873 29.997 1.00 0.00 WT2 H ATOM 28984 OH2 TIP3 2122 53.379 71.795 42.426 1.00 0.00 WT2 O ATOM 28985 H1 TIP3 2122 53.495 72.730 42.260 1.00 0.00 WT2 H ATOM 28986 H2 TIP3 2122 52.733 71.515 41.777 1.00 0.00 WT2 H ATOM 28987 OH2 TIP3 2123 33.436 85.529 51.931 1.00 0.00 WT2 O ATOM 28988 H1 TIP3 2123 32.897 85.209 51.208 1.00 0.00 WT2 H ATOM 28989 H2 TIP3 2123 32.933 86.254 52.303 1.00 0.00 WT2 H ATOM 28990 OH2 TIP3 2124 41.117 75.507 -15.818 1.00 0.00 WT2 O ATOM 28991 H1 TIP3 2124 40.727 74.651 -15.993 1.00 0.00 WT2 H ATOM 28992 H2 TIP3 2124 41.552 75.404 -14.971 1.00 0.00 WT2 H ATOM 28993 OH2 TIP3 2125 23.173 19.017 -5.610 1.00 0.00 WT2 O ATOM 28994 H1 TIP3 2125 23.541 18.411 -4.967 1.00 0.00 WT2 H ATOM 28995 H2 TIP3 2125 23.274 19.881 -5.210 1.00 0.00 WT2 H ATOM 28996 OH2 TIP3 2126 69.589 74.388 -1.117 1.00 0.00 WT2 O ATOM 28997 H1 TIP3 2126 69.594 75.131 -0.513 1.00 0.00 WT2 H ATOM 28998 H2 TIP3 2126 68.819 73.879 -0.864 1.00 0.00 WT2 H ATOM 28999 OH2 TIP3 2128 54.229 47.469 37.540 1.00 0.00 WT2 O ATOM 29000 H1 TIP3 2128 53.700 48.102 37.054 1.00 0.00 WT2 H ATOM 29001 H2 TIP3 2128 54.960 47.268 36.957 1.00 0.00 WT2 H ATOM 29002 OH2 TIP3 2129 77.747 36.993 20.987 1.00 0.00 WT2 O ATOM 29003 H1 TIP3 2129 77.509 36.739 20.096 1.00 0.00 WT2 H ATOM 29004 H2 TIP3 2129 77.288 37.821 21.131 1.00 0.00 WT2 H ATOM 29005 OH2 TIP3 2131 41.937 46.215 45.071 1.00 0.00 WT2 O ATOM 29006 H1 TIP3 2131 40.988 46.088 45.097 1.00 0.00 WT2 H ATOM 29007 H2 TIP3 2131 42.081 47.041 45.532 1.00 0.00 WT2 H ATOM 29008 OH2 TIP3 2143 35.350 53.230 49.498 1.00 0.00 WT2 O ATOM 29009 H1 TIP3 2143 36.166 53.698 49.676 1.00 0.00 WT2 H ATOM 29010 H2 TIP3 2143 34.720 53.604 50.114 1.00 0.00 WT2 H ATOM 29011 OH2 TIP3 2146 47.989 56.918 45.177 1.00 0.00 WT2 O ATOM 29012 H1 TIP3 2146 48.708 57.354 45.635 1.00 0.00 WT2 H ATOM 29013 H2 TIP3 2146 47.327 57.601 45.066 1.00 0.00 WT2 H ATOM 29014 OH2 TIP3 2148 22.864 76.904 40.620 1.00 0.00 WT2 O ATOM 29015 H1 TIP3 2148 22.885 77.149 39.695 1.00 0.00 WT2 H ATOM 29016 H2 TIP3 2148 23.671 76.407 40.754 1.00 0.00 WT2 H ATOM 29017 OH2 TIP3 2150 35.290 45.852 -14.144 1.00 0.00 WT2 O ATOM 29018 H1 TIP3 2150 36.081 46.391 -14.112 1.00 0.00 WT2 H ATOM 29019 H2 TIP3 2150 34.618 46.435 -14.498 1.00 0.00 WT2 H ATOM 29020 OH2 TIP3 2152 28.024 88.726 16.050 1.00 0.00 WT2 O ATOM 29021 H1 TIP3 2152 28.339 88.096 15.403 1.00 0.00 WT2 H ATOM 29022 H2 TIP3 2152 28.564 88.566 16.824 1.00 0.00 WT2 H ATOM 29023 OH2 TIP3 2163 45.767 78.332 60.282 1.00 0.00 WT2 O ATOM 29024 H1 TIP3 2163 45.407 77.453 60.399 1.00 0.00 WT2 H ATOM 29025 H2 TIP3 2163 45.949 78.394 59.344 1.00 0.00 WT2 H ATOM 29026 OH2 TIP3 2164 39.566 45.028 62.497 1.00 0.00 WT2 O ATOM 29027 H1 TIP3 2164 40.400 45.071 62.029 1.00 0.00 WT2 H ATOM 29028 H2 TIP3 2164 39.024 45.700 62.085 1.00 0.00 WT2 H ATOM 29029 OH2 TIP3 2165 52.683 26.526 50.281 1.00 0.00 WT2 O ATOM 29030 H1 TIP3 2165 52.251 25.726 50.580 1.00 0.00 WT2 H ATOM 29031 H2 TIP3 2165 51.985 27.180 50.255 1.00 0.00 WT2 H ATOM 29032 OH2 TIP3 2166 30.477 43.475 -10.208 1.00 0.00 WT2 O ATOM 29033 H1 TIP3 2166 30.466 42.601 -10.598 1.00 0.00 WT2 H ATOM 29034 H2 TIP3 2166 29.653 43.531 -9.723 1.00 0.00 WT2 H ATOM 29035 OH2 TIP3 2167 34.765 22.585 -19.130 1.00 0.00 WT2 O ATOM 29036 H1 TIP3 2167 34.773 22.261 -18.229 1.00 0.00 WT2 H ATOM 29037 H2 TIP3 2167 34.961 21.815 -19.664 1.00 0.00 WT2 H ATOM 29038 OH2 TIP3 2168 40.765 1.797 -17.659 1.00 0.00 WT2 O ATOM 29039 H1 TIP3 2168 40.546 2.456 -17.001 1.00 0.00 WT2 H ATOM 29040 H2 TIP3 2168 40.429 0.976 -17.298 1.00 0.00 WT2 H ATOM 29041 OH2 TIP3 2169 74.045 55.651 -17.934 1.00 0.00 WT2 O ATOM 29042 H1 TIP3 2169 74.632 55.653 -17.178 1.00 0.00 WT2 H ATOM 29043 H2 TIP3 2169 74.031 56.561 -18.229 1.00 0.00 WT2 H ATOM 29044 OH2 TIP3 2170 46.434 36.792 4.135 1.00 0.00 WT2 O ATOM 29045 H1 TIP3 2170 46.845 36.760 4.999 1.00 0.00 WT2 H ATOM 29046 H2 TIP3 2170 47.108 36.469 3.537 1.00 0.00 WT2 H ATOM 29047 OH2 TIP3 2183 39.802 55.205 -12.695 1.00 0.00 WT2 O ATOM 29048 H1 TIP3 2183 40.322 56.009 -12.712 1.00 0.00 WT2 H ATOM 29049 H2 TIP3 2183 39.142 55.360 -12.019 1.00 0.00 WT2 H ATOM 29050 OH2 TIP3 2185 30.372 48.836 16.508 1.00 0.00 WT2 O ATOM 29051 H1 TIP3 2185 31.004 48.117 16.500 1.00 0.00 WT2 H ATOM 29052 H2 TIP3 2185 29.557 48.436 16.812 1.00 0.00 WT2 H ATOM 29053 OH2 TIP3 2186 71.560 14.858 55.608 1.00 0.00 WT2 O ATOM 29054 H1 TIP3 2186 72.372 15.364 55.578 1.00 0.00 WT2 H ATOM 29055 H2 TIP3 2186 71.749 14.070 55.100 1.00 0.00 WT2 H ATOM 29056 OH2 TIP3 2187 80.918 80.372 10.821 1.00 0.00 WT2 O ATOM 29057 H1 TIP3 2187 80.301 79.652 10.959 1.00 0.00 WT2 H ATOM 29058 H2 TIP3 2187 81.733 79.942 10.560 1.00 0.00 WT2 H ATOM 29059 OH2 TIP3 2188 59.669 90.232 34.283 1.00 0.00 WT2 O ATOM 29060 H1 TIP3 2188 58.727 90.163 34.128 1.00 0.00 WT2 H ATOM 29061 H2 TIP3 2188 59.953 89.330 34.434 1.00 0.00 WT2 H ATOM 29062 OH2 TIP3 2189 82.330 58.213 -14.942 1.00 0.00 WT2 O ATOM 29063 H1 TIP3 2189 82.038 57.337 -14.689 1.00 0.00 WT2 H ATOM 29064 H2 TIP3 2189 83.285 58.151 -14.964 1.00 0.00 WT2 H ATOM 29065 OH2 TIP3 2190 43.730 52.121 33.161 1.00 0.00 WT2 O ATOM 29066 H1 TIP3 2190 44.321 51.532 32.692 1.00 0.00 WT2 H ATOM 29067 H2 TIP3 2190 43.618 52.867 32.572 1.00 0.00 WT2 H ATOM 29068 OH2 TIP3 2191 37.954 58.379 33.894 1.00 0.00 WT2 O ATOM 29069 H1 TIP3 2191 38.436 58.355 33.067 1.00 0.00 WT2 H ATOM 29070 H2 TIP3 2191 38.440 57.790 34.472 1.00 0.00 WT2 H ATOM 29071 OH2 TIP3 2193 51.521 29.527 -4.678 1.00 0.00 WT2 O ATOM 29072 H1 TIP3 2193 50.737 29.958 -4.337 1.00 0.00 WT2 H ATOM 29073 H2 TIP3 2193 52.226 29.819 -4.100 1.00 0.00 WT2 H ATOM 29074 OH2 TIP3 2205 81.558 46.379 27.118 1.00 0.00 WT2 O ATOM 29075 H1 TIP3 2205 81.271 47.263 27.347 1.00 0.00 WT2 H ATOM 29076 H2 TIP3 2205 82.180 46.507 26.401 1.00 0.00 WT2 H ATOM 29077 OH2 TIP3 2206 49.361 51.594 25.416 1.00 0.00 WT2 O ATOM 29078 H1 TIP3 2206 50.040 51.795 24.773 1.00 0.00 WT2 H ATOM 29079 H2 TIP3 2206 49.406 50.644 25.523 1.00 0.00 WT2 H ATOM 29080 OH2 TIP3 2207 40.721 19.587 56.553 1.00 0.00 WT2 O ATOM 29081 H1 TIP3 2207 41.225 19.712 55.749 1.00 0.00 WT2 H ATOM 29082 H2 TIP3 2207 41.231 20.035 57.228 1.00 0.00 WT2 H ATOM 29083 OH2 TIP3 2208 35.836 57.491 55.993 1.00 0.00 WT2 O ATOM 29084 H1 TIP3 2208 35.844 58.445 56.074 1.00 0.00 WT2 H ATOM 29085 H2 TIP3 2208 35.222 57.316 55.279 1.00 0.00 WT2 H ATOM 29086 OH2 TIP3 2209 44.002 15.364 40.708 1.00 0.00 WT2 O ATOM 29087 H1 TIP3 2209 44.172 14.426 40.610 1.00 0.00 WT2 H ATOM 29088 H2 TIP3 2209 44.189 15.546 41.629 1.00 0.00 WT2 H ATOM 29089 OH2 TIP3 2227 84.669 4.272 51.681 1.00 0.00 WT2 O ATOM 29090 H1 TIP3 2227 84.925 5.185 51.814 1.00 0.00 WT2 H ATOM 29091 H2 TIP3 2227 84.867 3.843 52.514 1.00 0.00 WT2 H ATOM 29092 OH2 TIP3 2228 72.498 64.075 46.174 1.00 0.00 WT2 O ATOM 29093 H1 TIP3 2228 72.302 63.693 45.319 1.00 0.00 WT2 H ATOM 29094 H2 TIP3 2228 71.664 64.051 46.644 1.00 0.00 WT2 H ATOM 29095 OH2 TIP3 2229 36.605 4.618 54.193 1.00 0.00 WT2 O ATOM 29096 H1 TIP3 2229 37.359 4.610 54.784 1.00 0.00 WT2 H ATOM 29097 H2 TIP3 2229 36.028 5.294 54.549 1.00 0.00 WT2 H ATOM 29098 OH2 TIP3 2230 57.146 46.970 -18.079 1.00 0.00 WT2 O ATOM 29099 H1 TIP3 2230 57.147 46.912 -19.035 1.00 0.00 WT2 H ATOM 29100 H2 TIP3 2230 57.241 46.065 -17.783 1.00 0.00 WT2 H ATOM 29101 OH2 TIP3 2231 28.172 79.681 18.175 1.00 0.00 WT2 O ATOM 29102 H1 TIP3 2231 28.187 78.737 18.019 1.00 0.00 WT2 H ATOM 29103 H2 TIP3 2231 27.298 79.853 18.524 1.00 0.00 WT2 H ATOM 29104 OH2 TIP3 2232 40.152 85.768 18.627 1.00 0.00 WT2 O ATOM 29105 H1 TIP3 2232 40.726 86.533 18.589 1.00 0.00 WT2 H ATOM 29106 H2 TIP3 2232 40.262 85.429 19.515 1.00 0.00 WT2 H ATOM 29107 OH2 TIP3 2233 48.178 43.030 -3.397 1.00 0.00 WT2 O ATOM 29108 H1 TIP3 2233 48.448 43.004 -2.479 1.00 0.00 WT2 H ATOM 29109 H2 TIP3 2233 48.885 42.587 -3.868 1.00 0.00 WT2 H ATOM 29110 OH2 TIP3 2244 43.602 43.974 -11.309 1.00 0.00 WT2 O ATOM 29111 H1 TIP3 2244 42.650 43.891 -11.364 1.00 0.00 WT2 H ATOM 29112 H2 TIP3 2244 43.836 44.537 -12.047 1.00 0.00 WT2 H ATOM 29113 OH2 TIP3 2250 21.855 44.154 24.881 1.00 0.00 WT2 O ATOM 29114 H1 TIP3 2250 22.597 44.181 24.278 1.00 0.00 WT2 H ATOM 29115 H2 TIP3 2250 21.363 44.954 24.692 1.00 0.00 WT2 H ATOM 29116 OH2 TIP3 2251 59.266 6.943 55.523 1.00 0.00 WT2 O ATOM 29117 H1 TIP3 2251 59.931 7.041 54.842 1.00 0.00 WT2 H ATOM 29118 H2 TIP3 2251 59.766 6.839 56.333 1.00 0.00 WT2 H ATOM 29119 OH2 TIP3 2252 83.586 48.293 33.248 1.00 0.00 WT2 O ATOM 29120 H1 TIP3 2252 83.872 49.169 33.508 1.00 0.00 WT2 H ATOM 29121 H2 TIP3 2252 84.079 48.107 32.449 1.00 0.00 WT2 H ATOM 29122 OH2 TIP3 2253 40.288 17.505 42.534 1.00 0.00 WT2 O ATOM 29123 H1 TIP3 2253 39.985 16.706 42.967 1.00 0.00 WT2 H ATOM 29124 H2 TIP3 2253 39.520 18.077 42.524 1.00 0.00 WT2 H ATOM 29125 OH2 TIP3 2254 47.340 29.461 59.080 1.00 0.00 WT2 O ATOM 29126 H1 TIP3 2254 47.818 29.149 58.312 1.00 0.00 WT2 H ATOM 29127 H2 TIP3 2254 47.769 30.285 59.311 1.00 0.00 WT2 H ATOM 29128 OH2 TIP3 2255 55.983 61.887 53.347 1.00 0.00 WT2 O ATOM 29129 H1 TIP3 2255 56.018 61.276 52.611 1.00 0.00 WT2 H ATOM 29130 H2 TIP3 2255 56.319 62.710 52.992 1.00 0.00 WT2 H ATOM 29131 OH2 TIP3 2269 83.978 50.057 61.309 1.00 0.00 WT2 O ATOM 29132 H1 TIP3 2269 83.740 50.964 61.499 1.00 0.00 WT2 H ATOM 29133 H2 TIP3 2269 84.927 50.080 61.182 1.00 0.00 WT2 H ATOM 29134 OH2 TIP3 2270 63.533 45.832 40.703 1.00 0.00 WT2 O ATOM 29135 H1 TIP3 2270 63.428 45.909 39.754 1.00 0.00 WT2 H ATOM 29136 H2 TIP3 2270 62.834 45.236 40.973 1.00 0.00 WT2 H ATOM 29137 OH2 TIP3 2271 34.767 92.282 12.153 1.00 0.00 WT2 O ATOM 29138 H1 TIP3 2271 35.053 91.749 12.895 1.00 0.00 WT2 H ATOM 29139 H2 TIP3 2271 35.213 93.120 12.274 1.00 0.00 WT2 H ATOM 29140 OH2 TIP3 2272 82.155 45.973 44.524 1.00 0.00 WT2 O ATOM 29141 H1 TIP3 2272 81.706 45.147 44.346 1.00 0.00 WT2 H ATOM 29142 H2 TIP3 2272 82.092 46.462 43.704 1.00 0.00 WT2 H ATOM 29143 OH2 TIP3 2273 64.702 55.781 2.090 1.00 0.00 WT2 O ATOM 29144 H1 TIP3 2273 64.957 56.351 2.815 1.00 0.00 WT2 H ATOM 29145 H2 TIP3 2273 64.979 54.906 2.364 1.00 0.00 WT2 H ATOM 29146 OH2 TIP3 2274 42.462 68.714 63.949 1.00 0.00 WT2 O ATOM 29147 H1 TIP3 2274 42.012 68.456 63.145 1.00 0.00 WT2 H ATOM 29148 H2 TIP3 2274 41.778 69.108 64.491 1.00 0.00 WT2 H ATOM 29149 OH2 TIP3 2275 53.012 18.293 63.914 1.00 0.00 WT2 O ATOM 29150 H1 TIP3 2275 53.504 17.843 63.228 1.00 0.00 WT2 H ATOM 29151 H2 TIP3 2275 53.187 19.222 63.765 1.00 0.00 WT2 H ATOM 29152 OH2 TIP3 2276 65.706 14.144 -9.640 1.00 0.00 WT2 O ATOM 29153 H1 TIP3 2276 65.831 15.000 -10.049 1.00 0.00 WT2 H ATOM 29154 H2 TIP3 2276 64.877 13.826 -9.997 1.00 0.00 WT2 H ATOM 29155 OH2 TIP3 2277 81.859 18.256 7.443 1.00 0.00 WT2 O ATOM 29156 H1 TIP3 2277 81.871 19.186 7.670 1.00 0.00 WT2 H ATOM 29157 H2 TIP3 2277 80.988 17.956 7.702 1.00 0.00 WT2 H ATOM 29158 OH2 TIP3 2280 47.234 94.292 37.586 1.00 0.00 WT2 O ATOM 29159 H1 TIP3 2280 46.346 93.938 37.615 1.00 0.00 WT2 H ATOM 29160 H2 TIP3 2280 47.114 95.238 37.514 1.00 0.00 WT2 H ATOM 29161 OH2 TIP3 2288 68.144 89.828 14.817 1.00 0.00 WT2 O ATOM 29162 H1 TIP3 2288 68.777 89.791 15.534 1.00 0.00 WT2 H ATOM 29163 H2 TIP3 2288 67.422 89.270 15.106 1.00 0.00 WT2 H ATOM 29164 OH2 TIP3 2290 74.522 71.756 12.905 1.00 0.00 WT2 O ATOM 29165 H1 TIP3 2290 74.002 71.007 12.613 1.00 0.00 WT2 H ATOM 29166 H2 TIP3 2290 75.282 71.365 13.336 1.00 0.00 WT2 H ATOM 29167 OH2 TIP3 2292 31.429 8.970 61.587 1.00 0.00 WT2 O ATOM 29168 H1 TIP3 2292 31.839 9.831 61.676 1.00 0.00 WT2 H ATOM 29169 H2 TIP3 2292 31.098 8.953 60.689 1.00 0.00 WT2 H ATOM 29170 OH2 TIP3 2293 30.642 79.480 50.479 1.00 0.00 WT2 O ATOM 29171 H1 TIP3 2293 31.306 78.797 50.388 1.00 0.00 WT2 H ATOM 29172 H2 TIP3 2293 31.085 80.283 50.203 1.00 0.00 WT2 H ATOM 29173 OH2 TIP3 2294 30.269 3.434 40.962 1.00 0.00 WT2 O ATOM 29174 H1 TIP3 2294 30.379 4.312 40.598 1.00 0.00 WT2 H ATOM 29175 H2 TIP3 2294 31.153 3.167 41.215 1.00 0.00 WT2 H ATOM 29176 OH2 TIP3 2296 20.593 68.609 19.330 1.00 0.00 WT2 O ATOM 29177 H1 TIP3 2296 20.596 68.083 20.129 1.00 0.00 WT2 H ATOM 29178 H2 TIP3 2296 19.953 69.300 19.500 1.00 0.00 WT2 H ATOM 29179 OH2 TIP3 2309 90.426 53.941 23.415 1.00 0.00 WT2 O ATOM 29180 H1 TIP3 2309 89.918 54.184 22.641 1.00 0.00 WT2 H ATOM 29181 H2 TIP3 2309 89.778 53.588 24.025 1.00 0.00 WT2 H ATOM 29182 OH2 TIP3 2311 39.780 78.799 47.679 1.00 0.00 WT2 O ATOM 29183 H1 TIP3 2311 40.202 78.964 46.836 1.00 0.00 WT2 H ATOM 29184 H2 TIP3 2311 39.395 79.640 47.924 1.00 0.00 WT2 H ATOM 29185 OH2 TIP3 2312 89.529 14.368 66.871 1.00 0.00 WT2 O ATOM 29186 H1 TIP3 2312 89.532 14.148 67.802 1.00 0.00 WT2 H ATOM 29187 H2 TIP3 2312 90.445 14.293 66.604 1.00 0.00 WT2 H ATOM 29188 OH2 TIP3 2313 85.288 64.544 37.883 1.00 0.00 WT2 O ATOM 29189 H1 TIP3 2313 86.193 64.240 37.962 1.00 0.00 WT2 H ATOM 29190 H2 TIP3 2313 84.882 63.930 37.271 1.00 0.00 WT2 H ATOM 29191 OH2 TIP3 2314 23.326 18.777 10.710 1.00 0.00 WT2 O ATOM 29192 H1 TIP3 2314 23.550 18.301 11.510 1.00 0.00 WT2 H ATOM 29193 H2 TIP3 2314 22.972 18.108 10.124 1.00 0.00 WT2 H ATOM 29194 OH2 TIP3 2315 34.809 53.132 -18.898 1.00 0.00 WT2 O ATOM 29195 H1 TIP3 2315 35.636 52.795 -19.243 1.00 0.00 WT2 H ATOM 29196 H2 TIP3 2315 34.619 52.575 -18.143 1.00 0.00 WT2 H ATOM 29197 OH2 TIP3 2316 65.777 25.964 25.211 1.00 0.00 WT2 O ATOM 29198 H1 TIP3 2316 65.516 25.052 25.076 1.00 0.00 WT2 H ATOM 29199 H2 TIP3 2316 66.530 26.086 24.633 1.00 0.00 WT2 H ATOM 29200 OH2 TIP3 2317 70.943 77.936 9.390 1.00 0.00 WT2 O ATOM 29201 H1 TIP3 2317 70.850 78.535 8.649 1.00 0.00 WT2 H ATOM 29202 H2 TIP3 2317 70.355 78.287 10.059 1.00 0.00 WT2 H ATOM 29203 OH2 TIP3 2318 31.014 79.635 -12.412 1.00 0.00 WT2 O ATOM 29204 H1 TIP3 2318 31.581 80.357 -12.140 1.00 0.00 WT2 H ATOM 29205 H2 TIP3 2318 30.126 79.985 -12.336 1.00 0.00 WT2 H ATOM 29206 OH2 TIP3 2319 48.665 12.434 21.383 1.00 0.00 WT2 O ATOM 29207 H1 TIP3 2319 48.462 13.095 20.721 1.00 0.00 WT2 H ATOM 29208 H2 TIP3 2319 48.761 12.931 22.196 1.00 0.00 WT2 H ATOM 29209 OH2 TIP3 2329 77.680 47.312 5.648 1.00 0.00 WT2 O ATOM 29210 H1 TIP3 2329 78.042 47.418 6.528 1.00 0.00 WT2 H ATOM 29211 H2 TIP3 2329 77.455 48.200 5.372 1.00 0.00 WT2 H ATOM 29212 OH2 TIP3 2331 50.743 36.434 13.561 1.00 0.00 WT2 O ATOM 29213 H1 TIP3 2331 50.045 35.957 13.112 1.00 0.00 WT2 H ATOM 29214 H2 TIP3 2331 50.689 36.139 14.470 1.00 0.00 WT2 H ATOM 29215 OH2 TIP3 2332 43.690 85.591 -6.328 1.00 0.00 WT2 O ATOM 29216 H1 TIP3 2332 42.971 85.006 -6.090 1.00 0.00 WT2 H ATOM 29217 H2 TIP3 2332 44.482 85.097 -6.117 1.00 0.00 WT2 H ATOM 29218 OH2 TIP3 2333 62.126 41.637 23.868 1.00 0.00 WT2 O ATOM 29219 H1 TIP3 2333 62.195 42.210 23.104 1.00 0.00 WT2 H ATOM 29220 H2 TIP3 2333 61.653 42.158 24.517 1.00 0.00 WT2 H ATOM 29221 OH2 TIP3 2335 71.581 89.122 -2.895 1.00 0.00 WT2 O ATOM 29222 H1 TIP3 2335 71.039 89.840 -3.223 1.00 0.00 WT2 H ATOM 29223 H2 TIP3 2335 71.905 89.431 -2.050 1.00 0.00 WT2 H ATOM 29224 OH2 TIP3 2336 30.266 66.076 26.660 1.00 0.00 WT2 O ATOM 29225 H1 TIP3 2336 30.842 66.825 26.508 1.00 0.00 WT2 H ATOM 29226 H2 TIP3 2336 30.858 65.360 26.888 1.00 0.00 WT2 H ATOM 29227 OH2 TIP3 2337 53.758 36.279 59.842 1.00 0.00 WT2 O ATOM 29228 H1 TIP3 2337 53.530 35.356 59.957 1.00 0.00 WT2 H ATOM 29229 H2 TIP3 2337 53.542 36.685 60.682 1.00 0.00 WT2 H ATOM 29230 OH2 TIP3 2338 20.605 34.079 17.469 1.00 0.00 WT2 O ATOM 29231 H1 TIP3 2338 20.824 34.186 18.395 1.00 0.00 WT2 H ATOM 29232 H2 TIP3 2338 21.336 34.482 17.001 1.00 0.00 WT2 H ATOM 29233 OH2 TIP3 2339 43.441 5.364 49.872 1.00 0.00 WT2 O ATOM 29234 H1 TIP3 2339 42.737 6.012 49.829 1.00 0.00 WT2 H ATOM 29235 H2 TIP3 2339 43.497 5.012 48.983 1.00 0.00 WT2 H ATOM 29236 OH2 TIP3 2351 34.401 20.646 39.603 1.00 0.00 WT2 O ATOM 29237 H1 TIP3 2351 35.184 20.905 39.118 1.00 0.00 WT2 H ATOM 29238 H2 TIP3 2351 33.680 20.784 38.988 1.00 0.00 WT2 H ATOM 29239 OH2 TIP3 2352 62.815 81.498 67.220 1.00 0.00 WT2 O ATOM 29240 H1 TIP3 2352 62.684 82.424 67.425 1.00 0.00 WT2 H ATOM 29241 H2 TIP3 2352 63.484 81.496 66.536 1.00 0.00 WT2 H ATOM 29242 OH2 TIP3 2354 44.592 24.990 2.418 1.00 0.00 WT2 O ATOM 29243 H1 TIP3 2354 44.297 25.708 2.979 1.00 0.00 WT2 H ATOM 29244 H2 TIP3 2354 45.350 25.344 1.954 1.00 0.00 WT2 H ATOM 29245 OH2 TIP3 2355 40.379 39.735 4.811 1.00 0.00 WT2 O ATOM 29246 H1 TIP3 2355 40.539 39.238 5.613 1.00 0.00 WT2 H ATOM 29247 H2 TIP3 2355 40.922 40.518 4.901 1.00 0.00 WT2 H ATOM 29248 OH2 TIP3 2357 21.521 86.148 -13.357 1.00 0.00 WT2 O ATOM 29249 H1 TIP3 2357 20.838 86.670 -12.936 1.00 0.00 WT2 H ATOM 29250 H2 TIP3 2357 21.215 85.244 -13.279 1.00 0.00 WT2 H ATOM 29251 OH2 TIP3 2358 32.982 1.216 53.258 1.00 0.00 WT2 O ATOM 29252 H1 TIP3 2358 33.337 2.104 53.230 1.00 0.00 WT2 H ATOM 29253 H2 TIP3 2358 33.444 0.795 53.982 1.00 0.00 WT2 H ATOM 29254 OH2 TIP3 2359 71.568 38.041 62.169 1.00 0.00 WT2 O ATOM 29255 H1 TIP3 2359 71.879 38.523 62.936 1.00 0.00 WT2 H ATOM 29256 H2 TIP3 2359 71.840 38.575 61.423 1.00 0.00 WT2 H ATOM 29257 OH2 TIP3 2376 32.562 43.800 48.129 1.00 0.00 WT2 O ATOM 29258 H1 TIP3 2376 31.856 43.175 48.296 1.00 0.00 WT2 H ATOM 29259 H2 TIP3 2376 32.392 44.520 48.736 1.00 0.00 WT2 H ATOM 29260 OH2 TIP3 2377 69.375 6.083 43.076 1.00 0.00 WT2 O ATOM 29261 H1 TIP3 2377 68.741 5.408 42.833 1.00 0.00 WT2 H ATOM 29262 H2 TIP3 2377 69.143 6.837 42.533 1.00 0.00 WT2 H ATOM 29263 OH2 TIP3 2378 52.882 0.683 63.063 1.00 0.00 WT2 O ATOM 29264 H1 TIP3 2378 52.435 0.727 62.218 1.00 0.00 WT2 H ATOM 29265 H2 TIP3 2378 53.812 0.743 62.846 1.00 0.00 WT2 H ATOM 29266 OH2 TIP3 2380 60.577 6.411 41.438 1.00 0.00 WT2 O ATOM 29267 H1 TIP3 2380 59.638 6.316 41.596 1.00 0.00 WT2 H ATOM 29268 H2 TIP3 2380 60.991 5.958 42.173 1.00 0.00 WT2 H ATOM 29269 OH2 TIP3 2395 43.352 39.192 43.608 1.00 0.00 WT2 O ATOM 29270 H1 TIP3 2395 43.329 40.142 43.728 1.00 0.00 WT2 H ATOM 29271 H2 TIP3 2395 44.073 39.045 42.996 1.00 0.00 WT2 H ATOM 29272 OH2 TIP3 2397 29.056 48.654 13.825 1.00 0.00 WT2 O ATOM 29273 H1 TIP3 2397 29.237 48.879 14.738 1.00 0.00 WT2 H ATOM 29274 H2 TIP3 2397 28.116 48.801 13.723 1.00 0.00 WT2 H ATOM 29275 OH2 TIP3 2398 76.604 1.727 6.683 1.00 0.00 WT2 O ATOM 29276 H1 TIP3 2398 77.021 0.867 6.622 1.00 0.00 WT2 H ATOM 29277 H2 TIP3 2398 76.881 2.068 7.533 1.00 0.00 WT2 H ATOM 29278 OH2 TIP3 2399 54.067 17.647 -10.130 1.00 0.00 WT2 O ATOM 29279 H1 TIP3 2399 53.710 17.645 -9.242 1.00 0.00 WT2 H ATOM 29280 H2 TIP3 2399 53.570 18.326 -10.586 1.00 0.00 WT2 H ATOM 29281 OH2 TIP3 2400 27.003 88.374 57.037 1.00 0.00 WT2 O ATOM 29282 H1 TIP3 2400 26.710 88.561 57.929 1.00 0.00 WT2 H ATOM 29283 H2 TIP3 2400 27.075 89.233 56.622 1.00 0.00 WT2 H ATOM 29284 OH2 TIP3 2416 40.803 65.824 8.440 1.00 0.00 WT2 O ATOM 29285 H1 TIP3 2416 41.084 65.169 7.800 1.00 0.00 WT2 H ATOM 29286 H2 TIP3 2416 41.199 65.541 9.263 1.00 0.00 WT2 H ATOM 29287 OH2 TIP3 2417 22.427 30.727 21.700 1.00 0.00 WT2 O ATOM 29288 H1 TIP3 2417 21.894 31.277 21.125 1.00 0.00 WT2 H ATOM 29289 H2 TIP3 2417 23.240 31.220 21.817 1.00 0.00 WT2 H ATOM 29290 OH2 TIP3 2418 87.023 45.139 -6.818 1.00 0.00 WT2 O ATOM 29291 H1 TIP3 2418 86.666 44.395 -6.333 1.00 0.00 WT2 H ATOM 29292 H2 TIP3 2418 86.323 45.792 -6.805 1.00 0.00 WT2 H ATOM 29293 OH2 TIP3 2419 60.294 85.811 39.433 1.00 0.00 WT2 O ATOM 29294 H1 TIP3 2419 60.857 85.157 39.019 1.00 0.00 WT2 H ATOM 29295 H2 TIP3 2419 60.360 85.626 40.370 1.00 0.00 WT2 H ATOM 29296 OH2 TIP3 2421 37.260 43.578 -18.334 1.00 0.00 WT2 O ATOM 29297 H1 TIP3 2421 37.263 44.139 -17.558 1.00 0.00 WT2 H ATOM 29298 H2 TIP3 2421 38.081 43.090 -18.281 1.00 0.00 WT2 H ATOM 29299 OH2 TIP3 2423 53.015 12.376 6.767 1.00 0.00 WT2 O ATOM 29300 H1 TIP3 2423 52.636 13.231 6.973 1.00 0.00 WT2 H ATOM 29301 H2 TIP3 2423 52.262 11.789 6.705 1.00 0.00 WT2 H ATOM 29302 OH2 TIP3 2436 54.550 72.264 60.327 1.00 0.00 WT2 O ATOM 29303 H1 TIP3 2436 55.188 72.903 60.644 1.00 0.00 WT2 H ATOM 29304 H2 TIP3 2436 54.952 71.414 60.508 1.00 0.00 WT2 H ATOM 29305 OH2 TIP3 2438 88.859 45.998 -18.319 1.00 0.00 WT2 O ATOM 29306 H1 TIP3 2438 88.399 45.181 -18.130 1.00 0.00 WT2 H ATOM 29307 H2 TIP3 2438 88.390 46.660 -17.811 1.00 0.00 WT2 H ATOM 29308 OH2 TIP3 2440 88.405 21.446 43.964 1.00 0.00 WT2 O ATOM 29309 H1 TIP3 2440 88.866 21.209 44.769 1.00 0.00 WT2 H ATOM 29310 H2 TIP3 2440 87.816 20.709 43.800 1.00 0.00 WT2 H ATOM 29311 OH2 TIP3 2441 48.332 9.603 35.046 1.00 0.00 WT2 O ATOM 29312 H1 TIP3 2441 49.241 9.751 34.781 1.00 0.00 WT2 H ATOM 29313 H2 TIP3 2441 48.163 8.688 34.823 1.00 0.00 WT2 H ATOM 29314 OH2 TIP3 2442 69.094 23.812 54.843 1.00 0.00 WT2 O ATOM 29315 H1 TIP3 2442 69.992 23.932 54.532 1.00 0.00 WT2 H ATOM 29316 H2 TIP3 2442 68.550 23.960 54.069 1.00 0.00 WT2 H ATOM 29317 OH2 TIP3 2447 34.519 21.809 16.005 1.00 0.00 WT2 O ATOM 29318 H1 TIP3 2447 35.295 21.854 15.446 1.00 0.00 WT2 H ATOM 29319 H2 TIP3 2447 33.864 22.335 15.548 1.00 0.00 WT2 H ATOM 29320 OH2 TIP3 2458 69.603 50.818 58.647 1.00 0.00 WT2 O ATOM 29321 H1 TIP3 2458 69.542 51.480 59.336 1.00 0.00 WT2 H ATOM 29322 H2 TIP3 2458 69.454 51.302 57.835 1.00 0.00 WT2 H ATOM 29323 OH2 TIP3 2459 80.813 26.688 65.000 1.00 0.00 WT2 O ATOM 29324 H1 TIP3 2459 80.725 26.737 65.951 1.00 0.00 WT2 H ATOM 29325 H2 TIP3 2459 81.757 26.703 64.845 1.00 0.00 WT2 H ATOM 29326 OH2 TIP3 2460 60.311 43.493 65.296 1.00 0.00 WT2 O ATOM 29327 H1 TIP3 2460 60.900 43.223 64.592 1.00 0.00 WT2 H ATOM 29328 H2 TIP3 2460 59.435 43.412 64.920 1.00 0.00 WT2 H ATOM 29329 OH2 TIP3 2461 79.792 75.608 10.119 1.00 0.00 WT2 O ATOM 29330 H1 TIP3 2461 79.154 76.311 9.994 1.00 0.00 WT2 H ATOM 29331 H2 TIP3 2461 80.330 75.900 10.855 1.00 0.00 WT2 H ATOM 29332 OH2 TIP3 2463 62.223 71.194 -16.670 1.00 0.00 WT2 O ATOM 29333 H1 TIP3 2463 61.745 70.376 -16.807 1.00 0.00 WT2 H ATOM 29334 H2 TIP3 2463 61.724 71.653 -15.995 1.00 0.00 WT2 H ATOM 29335 OH2 TIP3 2465 73.699 22.489 -19.214 1.00 0.00 WT2 O ATOM 29336 H1 TIP3 2465 73.088 22.055 -19.810 1.00 0.00 WT2 H ATOM 29337 H2 TIP3 2465 74.171 21.771 -18.790 1.00 0.00 WT2 H ATOM 29338 OH2 TIP3 2477 61.549 62.782 32.746 1.00 0.00 WT2 O ATOM 29339 H1 TIP3 2477 61.387 61.844 32.641 1.00 0.00 WT2 H ATOM 29340 H2 TIP3 2477 60.720 63.197 32.510 1.00 0.00 WT2 H ATOM 29341 OH2 TIP3 2480 79.407 72.219 66.923 1.00 0.00 WT2 O ATOM 29342 H1 TIP3 2480 79.739 71.338 67.098 1.00 0.00 WT2 H ATOM 29343 H2 TIP3 2480 79.259 72.237 65.978 1.00 0.00 WT2 H ATOM 29344 OH2 TIP3 2482 48.165 34.034 39.732 1.00 0.00 WT2 O ATOM 29345 H1 TIP3 2482 47.471 34.371 39.165 1.00 0.00 WT2 H ATOM 29346 H2 TIP3 2482 48.932 34.563 39.512 1.00 0.00 WT2 H ATOM 29347 OH2 TIP3 2483 55.690 44.891 64.881 1.00 0.00 WT2 O ATOM 29348 H1 TIP3 2483 55.907 45.455 65.623 1.00 0.00 WT2 H ATOM 29349 H2 TIP3 2483 56.495 44.403 64.706 1.00 0.00 WT2 H ATOM 29350 OH2 TIP3 2484 28.039 46.689 61.844 1.00 0.00 WT2 O ATOM 29351 H1 TIP3 2484 27.882 47.515 61.387 1.00 0.00 WT2 H ATOM 29352 H2 TIP3 2484 28.790 46.867 62.410 1.00 0.00 WT2 H ATOM 29353 OH2 TIP3 2499 88.872 67.660 60.619 1.00 0.00 WT2 O ATOM 29354 H1 TIP3 2499 88.608 67.105 61.352 1.00 0.00 WT2 H ATOM 29355 H2 TIP3 2499 88.066 68.100 60.348 1.00 0.00 WT2 H ATOM 29356 OH2 TIP3 2500 34.872 40.805 5.185 1.00 0.00 WT2 O ATOM 29357 H1 TIP3 2500 35.517 40.560 5.849 1.00 0.00 WT2 H ATOM 29358 H2 TIP3 2500 34.296 41.428 5.628 1.00 0.00 WT2 H ATOM 29359 OH2 TIP3 2503 90.385 19.568 50.214 1.00 0.00 WT2 O ATOM 29360 H1 TIP3 2503 90.543 19.078 49.406 1.00 0.00 WT2 H ATOM 29361 H2 TIP3 2503 89.787 20.269 49.956 1.00 0.00 WT2 H ATOM 29362 OH2 TIP3 2508 62.096 94.536 37.927 1.00 0.00 WT2 O ATOM 29363 H1 TIP3 2508 62.994 94.622 38.248 1.00 0.00 WT2 H ATOM 29364 H2 TIP3 2508 61.704 95.395 38.081 1.00 0.00 WT2 H ATOM 29365 OH2 TIP3 2519 40.253 4.412 -12.915 1.00 0.00 WT2 O ATOM 29366 H1 TIP3 2519 40.719 3.650 -12.572 1.00 0.00 WT2 H ATOM 29367 H2 TIP3 2519 39.917 4.858 -12.137 1.00 0.00 WT2 H ATOM 29368 OH2 TIP3 2521 55.446 80.313 -14.974 1.00 0.00 WT2 O ATOM 29369 H1 TIP3 2521 55.563 80.758 -14.134 1.00 0.00 WT2 H ATOM 29370 H2 TIP3 2521 56.317 79.983 -15.194 1.00 0.00 WT2 H ATOM 29371 OH2 TIP3 2522 77.968 56.683 47.148 1.00 0.00 WT2 O ATOM 29372 H1 TIP3 2522 77.204 56.967 46.646 1.00 0.00 WT2 H ATOM 29373 H2 TIP3 2522 77.777 55.775 47.383 1.00 0.00 WT2 H ATOM 29374 OH2 TIP3 2523 30.613 94.919 40.026 1.00 0.00 WT2 O ATOM 29375 H1 TIP3 2523 31.440 94.987 40.504 1.00 0.00 WT2 H ATOM 29376 H2 TIP3 2523 30.157 95.738 40.217 1.00 0.00 WT2 H ATOM 29377 OH2 TIP3 2525 38.356 14.588 -17.528 1.00 0.00 WT2 O ATOM 29378 H1 TIP3 2525 38.857 15.204 -16.992 1.00 0.00 WT2 H ATOM 29379 H2 TIP3 2525 38.002 15.122 -18.239 1.00 0.00 WT2 H ATOM 29380 OH2 TIP3 2526 27.580 78.340 27.374 1.00 0.00 WT2 O ATOM 29381 H1 TIP3 2526 26.810 78.882 27.545 1.00 0.00 WT2 H ATOM 29382 H2 TIP3 2526 27.453 77.564 27.919 1.00 0.00 WT2 H ATOM 29383 OH2 TIP3 2527 26.795 28.160 48.805 1.00 0.00 WT2 O ATOM 29384 H1 TIP3 2527 26.018 27.619 48.669 1.00 0.00 WT2 H ATOM 29385 H2 TIP3 2527 27.504 27.672 48.387 1.00 0.00 WT2 H ATOM 29386 OH2 TIP3 2528 28.486 48.241 7.170 1.00 0.00 WT2 O ATOM 29387 H1 TIP3 2528 29.426 48.244 6.989 1.00 0.00 WT2 H ATOM 29388 H2 TIP3 2528 28.136 47.546 6.612 1.00 0.00 WT2 H ATOM 29389 OH2 TIP3 2529 39.017 5.970 36.625 1.00 0.00 WT2 O ATOM 29390 H1 TIP3 2529 38.404 5.254 36.791 1.00 0.00 WT2 H ATOM 29391 H2 TIP3 2529 38.534 6.760 36.867 1.00 0.00 WT2 H ATOM 29392 OH2 TIP3 2539 57.317 74.400 -19.225 1.00 0.00 WT2 O ATOM 29393 H1 TIP3 2539 57.775 73.987 -18.493 1.00 0.00 WT2 H ATOM 29394 H2 TIP3 2539 56.494 74.710 -18.849 1.00 0.00 WT2 H ATOM 29395 OH2 TIP3 2540 75.778 68.715 43.192 1.00 0.00 WT2 O ATOM 29396 H1 TIP3 2540 76.229 69.288 42.571 1.00 0.00 WT2 H ATOM 29397 H2 TIP3 2540 76.289 68.786 43.998 1.00 0.00 WT2 H ATOM 29398 OH2 TIP3 2541 46.734 56.539 -17.149 1.00 0.00 WT2 O ATOM 29399 H1 TIP3 2541 47.273 56.633 -16.363 1.00 0.00 WT2 H ATOM 29400 H2 TIP3 2541 45.851 56.773 -16.864 1.00 0.00 WT2 H ATOM 29401 OH2 TIP3 2544 75.980 57.837 51.823 1.00 0.00 WT2 O ATOM 29402 H1 TIP3 2544 76.644 57.455 51.249 1.00 0.00 WT2 H ATOM 29403 H2 TIP3 2544 75.288 57.177 51.863 1.00 0.00 WT2 H ATOM 29404 OH2 TIP3 2545 50.762 82.545 -0.065 1.00 0.00 WT2 O ATOM 29405 H1 TIP3 2545 49.849 82.486 0.217 1.00 0.00 WT2 H ATOM 29406 H2 TIP3 2545 51.016 81.641 -0.247 1.00 0.00 WT2 H ATOM 29407 OH2 TIP3 2547 88.393 56.272 55.374 1.00 0.00 WT2 O ATOM 29408 H1 TIP3 2547 87.887 55.700 55.951 1.00 0.00 WT2 H ATOM 29409 H2 TIP3 2547 87.757 56.912 55.053 1.00 0.00 WT2 H ATOM 29410 OH2 TIP3 2548 83.111 90.880 62.980 1.00 0.00 WT2 O ATOM 29411 H1 TIP3 2548 82.431 90.514 62.415 1.00 0.00 WT2 H ATOM 29412 H2 TIP3 2548 82.795 90.723 63.870 1.00 0.00 WT2 H ATOM 29413 OH2 TIP3 2562 78.051 33.684 -5.018 1.00 0.00 WT2 O ATOM 29414 H1 TIP3 2562 77.762 32.810 -4.758 1.00 0.00 WT2 H ATOM 29415 H2 TIP3 2562 78.142 34.162 -4.193 1.00 0.00 WT2 H ATOM 29416 OH2 TIP3 2563 42.263 54.569 9.336 1.00 0.00 WT2 O ATOM 29417 H1 TIP3 2563 43.050 55.110 9.270 1.00 0.00 WT2 H ATOM 29418 H2 TIP3 2563 42.006 54.631 10.256 1.00 0.00 WT2 H ATOM 29419 OH2 TIP3 2564 32.762 44.166 -16.069 1.00 0.00 WT2 O ATOM 29420 H1 TIP3 2564 32.751 45.121 -15.999 1.00 0.00 WT2 H ATOM 29421 H2 TIP3 2564 32.983 43.864 -15.189 1.00 0.00 WT2 H ATOM 29422 OH2 TIP3 2565 42.338 37.370 0.216 1.00 0.00 WT2 O ATOM 29423 H1 TIP3 2565 41.485 37.797 0.295 1.00 0.00 WT2 H ATOM 29424 H2 TIP3 2565 42.700 37.391 1.102 1.00 0.00 WT2 H ATOM 29425 OH2 TIP3 2566 73.652 90.105 36.112 1.00 0.00 WT2 O ATOM 29426 H1 TIP3 2566 73.592 90.801 36.766 1.00 0.00 WT2 H ATOM 29427 H2 TIP3 2566 73.652 89.295 36.623 1.00 0.00 WT2 H ATOM 29428 OH2 TIP3 2567 53.099 83.028 49.054 1.00 0.00 WT2 O ATOM 29429 H1 TIP3 2567 53.274 83.688 48.384 1.00 0.00 WT2 H ATOM 29430 H2 TIP3 2567 52.900 82.232 48.561 1.00 0.00 WT2 H ATOM 29431 OH2 TIP3 2570 43.227 43.323 30.151 1.00 0.00 WT2 O ATOM 29432 H1 TIP3 2570 43.583 42.693 29.525 1.00 0.00 WT2 H ATOM 29433 H2 TIP3 2570 43.588 44.166 29.877 1.00 0.00 WT2 H ATOM 29434 OH2 TIP3 2573 28.290 28.209 59.265 1.00 0.00 WT2 O ATOM 29435 H1 TIP3 2573 28.644 27.616 59.928 1.00 0.00 WT2 H ATOM 29436 H2 TIP3 2573 28.990 28.288 58.617 1.00 0.00 WT2 H ATOM 29437 OH2 TIP3 2580 32.496 58.493 43.686 1.00 0.00 WT2 O ATOM 29438 H1 TIP3 2580 32.197 58.851 44.522 1.00 0.00 WT2 H ATOM 29439 H2 TIP3 2580 33.380 58.843 43.577 1.00 0.00 WT2 H ATOM 29440 OH2 TIP3 2582 79.426 14.052 53.825 1.00 0.00 WT2 O ATOM 29441 H1 TIP3 2582 78.650 14.247 54.351 1.00 0.00 WT2 H ATOM 29442 H2 TIP3 2582 79.148 13.349 53.238 1.00 0.00 WT2 H ATOM 29443 OH2 TIP3 2584 30.968 95.087 50.552 1.00 0.00 WT2 O ATOM 29444 H1 TIP3 2584 31.845 95.466 50.605 1.00 0.00 WT2 H ATOM 29445 H2 TIP3 2584 31.001 94.515 49.784 1.00 0.00 WT2 H ATOM 29446 OH2 TIP3 2588 71.623 63.613 43.596 1.00 0.00 WT2 O ATOM 29447 H1 TIP3 2588 72.219 64.187 43.115 1.00 0.00 WT2 H ATOM 29448 H2 TIP3 2588 70.791 63.684 43.128 1.00 0.00 WT2 H ATOM 29449 OH2 TIP3 2589 83.187 55.479 -18.714 1.00 0.00 WT2 O ATOM 29450 H1 TIP3 2589 83.499 54.881 -19.394 1.00 0.00 WT2 H ATOM 29451 H2 TIP3 2589 82.525 54.977 -18.239 1.00 0.00 WT2 H ATOM 29452 OH2 TIP3 2606 46.374 81.202 25.814 1.00 0.00 WT2 O ATOM 29453 H1 TIP3 2606 45.866 80.946 26.584 1.00 0.00 WT2 H ATOM 29454 H2 TIP3 2606 46.451 80.400 25.298 1.00 0.00 WT2 H ATOM 29455 OH2 TIP3 2607 52.059 82.238 7.469 1.00 0.00 WT2 O ATOM 29456 H1 TIP3 2607 52.756 82.304 8.123 1.00 0.00 WT2 H ATOM 29457 H2 TIP3 2607 51.665 81.380 7.624 1.00 0.00 WT2 H ATOM 29458 OH2 TIP3 2608 55.065 77.130 5.933 1.00 0.00 WT2 O ATOM 29459 H1 TIP3 2608 55.377 76.949 6.820 1.00 0.00 WT2 H ATOM 29460 H2 TIP3 2608 55.052 76.274 5.505 1.00 0.00 WT2 H ATOM 29461 OH2 TIP3 2610 87.433 8.507 62.244 1.00 0.00 WT2 O ATOM 29462 H1 TIP3 2610 87.474 9.127 62.973 1.00 0.00 WT2 H ATOM 29463 H2 TIP3 2610 88.130 8.787 61.652 1.00 0.00 WT2 H ATOM 29464 OH2 TIP3 2628 78.030 92.408 -11.944 1.00 0.00 WT2 O ATOM 29465 H1 TIP3 2628 78.560 92.067 -11.223 1.00 0.00 WT2 H ATOM 29466 H2 TIP3 2628 78.273 93.332 -12.003 1.00 0.00 WT2 H ATOM 29467 OH2 TIP3 2631 28.527 30.658 33.889 1.00 0.00 WT2 O ATOM 29468 H1 TIP3 2631 28.160 31.538 33.802 1.00 0.00 WT2 H ATOM 29469 H2 TIP3 2631 28.148 30.319 34.700 1.00 0.00 WT2 H ATOM 29470 OH2 TIP3 2632 82.969 21.088 4.559 1.00 0.00 WT2 O ATOM 29471 H1 TIP3 2632 83.778 21.054 4.049 1.00 0.00 WT2 H ATOM 29472 H2 TIP3 2632 82.683 22.000 4.493 1.00 0.00 WT2 H ATOM 29473 OH2 TIP3 2634 23.833 36.893 54.802 1.00 0.00 WT2 O ATOM 29474 H1 TIP3 2634 24.113 36.235 54.166 1.00 0.00 WT2 H ATOM 29475 H2 TIP3 2634 22.915 36.683 54.975 1.00 0.00 WT2 H ATOM 29476 OH2 TIP3 2635 40.421 11.978 15.065 1.00 0.00 WT2 O ATOM 29477 H1 TIP3 2635 41.164 12.573 15.169 1.00 0.00 WT2 H ATOM 29478 H2 TIP3 2635 39.861 12.405 14.416 1.00 0.00 WT2 H ATOM 29479 OH2 TIP3 2643 48.876 95.011 -12.497 1.00 0.00 WT2 O ATOM 29480 H1 TIP3 2643 49.045 94.071 -12.560 1.00 0.00 WT2 H ATOM 29481 H2 TIP3 2643 49.634 95.360 -12.027 1.00 0.00 WT2 H ATOM 29482 OH2 TIP3 2648 35.196 63.883 32.437 1.00 0.00 WT2 O ATOM 29483 H1 TIP3 2648 34.864 64.581 33.001 1.00 0.00 WT2 H ATOM 29484 H2 TIP3 2648 36.122 63.808 32.667 1.00 0.00 WT2 H ATOM 29485 OH2 TIP3 2649 45.108 7.511 -0.795 1.00 0.00 WT2 O ATOM 29486 H1 TIP3 2649 45.451 8.224 -1.334 1.00 0.00 WT2 H ATOM 29487 H2 TIP3 2649 44.158 7.565 -0.903 1.00 0.00 WT2 H ATOM 29488 OH2 TIP3 2650 68.613 6.596 -13.828 1.00 0.00 WT2 O ATOM 29489 H1 TIP3 2650 67.938 5.959 -13.594 1.00 0.00 WT2 H ATOM 29490 H2 TIP3 2650 68.843 7.017 -13.000 1.00 0.00 WT2 H ATOM 29491 OH2 TIP3 2651 42.789 0.785 33.522 1.00 0.00 WT2 O ATOM 29492 H1 TIP3 2651 43.736 0.867 33.634 1.00 0.00 WT2 H ATOM 29493 H2 TIP3 2651 42.506 0.247 34.262 1.00 0.00 WT2 H ATOM 29494 OH2 TIP3 2653 85.862 60.203 56.452 1.00 0.00 WT2 O ATOM 29495 H1 TIP3 2653 85.582 59.291 56.531 1.00 0.00 WT2 H ATOM 29496 H2 TIP3 2653 86.770 60.150 56.153 1.00 0.00 WT2 H ATOM 29497 OH2 TIP3 2654 51.473 24.206 60.795 1.00 0.00 WT2 O ATOM 29498 H1 TIP3 2654 52.279 24.678 60.586 1.00 0.00 WT2 H ATOM 29499 H2 TIP3 2654 51.065 24.723 61.489 1.00 0.00 WT2 H ATOM 29500 OH2 TIP3 2655 69.056 42.394 14.167 1.00 0.00 WT2 O ATOM 29501 H1 TIP3 2655 68.271 42.093 13.709 1.00 0.00 WT2 H ATOM 29502 H2 TIP3 2655 68.738 43.066 14.771 1.00 0.00 WT2 H ATOM 29503 OH2 TIP3 2667 90.014 95.518 -7.124 1.00 0.00 WT2 O ATOM 29504 H1 TIP3 2667 90.298 95.480 -6.211 1.00 0.00 WT2 H ATOM 29505 H2 TIP3 2667 89.088 95.754 -7.078 1.00 0.00 WT2 H ATOM 29506 OH2 TIP3 2668 29.153 57.180 10.394 1.00 0.00 WT2 O ATOM 29507 H1 TIP3 2668 29.727 57.529 11.076 1.00 0.00 WT2 H ATOM 29508 H2 TIP3 2668 28.268 57.376 10.701 1.00 0.00 WT2 H ATOM 29509 OH2 TIP3 2669 58.884 31.583 -8.296 1.00 0.00 WT2 O ATOM 29510 H1 TIP3 2669 58.216 31.796 -8.947 1.00 0.00 WT2 H ATOM 29511 H2 TIP3 2669 58.557 31.966 -7.482 1.00 0.00 WT2 H ATOM 29512 OH2 TIP3 2670 89.506 82.648 -19.508 1.00 0.00 WT2 O ATOM 29513 H1 TIP3 2670 90.191 83.176 -19.918 1.00 0.00 WT2 H ATOM 29514 H2 TIP3 2670 89.873 82.392 -18.662 1.00 0.00 WT2 H ATOM 29515 OH2 TIP3 2672 27.986 79.532 -8.044 1.00 0.00 WT2 O ATOM 29516 H1 TIP3 2672 27.389 79.522 -7.296 1.00 0.00 WT2 H ATOM 29517 H2 TIP3 2672 27.700 80.281 -8.569 1.00 0.00 WT2 H ATOM 29518 OH2 TIP3 2673 49.293 80.497 57.539 1.00 0.00 WT2 O ATOM 29519 H1 TIP3 2673 48.714 81.085 57.055 1.00 0.00 WT2 H ATOM 29520 H2 TIP3 2673 49.174 80.743 58.456 1.00 0.00 WT2 H ATOM 29521 OH2 TIP3 2674 36.870 64.943 45.162 1.00 0.00 WT2 O ATOM 29522 H1 TIP3 2674 37.312 65.719 44.820 1.00 0.00 WT2 H ATOM 29523 H2 TIP3 2674 37.051 64.259 44.516 1.00 0.00 WT2 H ATOM 29524 OH2 TIP3 2676 21.233 91.325 36.741 1.00 0.00 WT2 O ATOM 29525 H1 TIP3 2676 21.307 91.236 35.791 1.00 0.00 WT2 H ATOM 29526 H2 TIP3 2676 21.481 90.465 37.082 1.00 0.00 WT2 H ATOM 29527 OH2 TIP3 2689 53.033 6.211 1.254 1.00 0.00 WT2 O ATOM 29528 H1 TIP3 2689 52.444 5.457 1.263 1.00 0.00 WT2 H ATOM 29529 H2 TIP3 2689 53.370 6.263 2.148 1.00 0.00 WT2 H ATOM 29530 OH2 TIP3 2690 65.724 76.370 -2.419 1.00 0.00 WT2 O ATOM 29531 H1 TIP3 2690 65.997 76.237 -1.511 1.00 0.00 WT2 H ATOM 29532 H2 TIP3 2690 65.081 75.679 -2.580 1.00 0.00 WT2 H ATOM 29533 OH2 TIP3 2691 36.357 84.932 11.714 1.00 0.00 WT2 O ATOM 29534 H1 TIP3 2691 36.002 84.472 10.954 1.00 0.00 WT2 H ATOM 29535 H2 TIP3 2691 35.792 84.667 12.441 1.00 0.00 WT2 H ATOM 29536 OH2 TIP3 2692 63.923 82.367 36.772 1.00 0.00 WT2 O ATOM 29537 H1 TIP3 2692 63.970 81.469 37.102 1.00 0.00 WT2 H ATOM 29538 H2 TIP3 2692 63.848 82.270 35.823 1.00 0.00 WT2 H ATOM 29539 OH2 TIP3 2694 43.699 81.051 50.869 1.00 0.00 WT2 O ATOM 29540 H1 TIP3 2694 43.900 80.349 51.489 1.00 0.00 WT2 H ATOM 29541 H2 TIP3 2694 43.364 80.598 50.095 1.00 0.00 WT2 H ATOM 29542 OH2 TIP3 2695 49.207 22.576 60.962 1.00 0.00 WT2 O ATOM 29543 H1 TIP3 2695 48.883 23.208 60.320 1.00 0.00 WT2 H ATOM 29544 H2 TIP3 2695 49.797 23.081 61.520 1.00 0.00 WT2 H ATOM 29545 OH2 TIP3 2697 59.147 87.460 -12.324 1.00 0.00 WT2 O ATOM 29546 H1 TIP3 2697 59.457 88.345 -12.517 1.00 0.00 WT2 H ATOM 29547 H2 TIP3 2697 59.848 87.068 -11.804 1.00 0.00 WT2 H ATOM 29548 OH2 TIP3 2701 76.627 31.683 -3.437 1.00 0.00 WT2 O ATOM 29549 H1 TIP3 2701 77.333 31.081 -3.204 1.00 0.00 WT2 H ATOM 29550 H2 TIP3 2701 76.652 32.357 -2.757 1.00 0.00 WT2 H ATOM 29551 OH2 TIP3 2709 56.653 2.258 29.626 1.00 0.00 WT2 O ATOM 29552 H1 TIP3 2709 56.654 3.164 29.937 1.00 0.00 WT2 H ATOM 29553 H2 TIP3 2709 57.359 1.836 30.115 1.00 0.00 WT2 H ATOM 29554 OH2 TIP3 2710 38.603 41.224 30.513 1.00 0.00 WT2 O ATOM 29555 H1 TIP3 2710 39.288 41.809 30.190 1.00 0.00 WT2 H ATOM 29556 H2 TIP3 2710 39.071 40.434 30.787 1.00 0.00 WT2 H ATOM 29557 OH2 TIP3 2712 26.723 48.015 33.774 1.00 0.00 WT2 O ATOM 29558 H1 TIP3 2712 26.253 48.474 33.078 1.00 0.00 WT2 H ATOM 29559 H2 TIP3 2712 27.557 47.764 33.376 1.00 0.00 WT2 H ATOM 29560 OH2 TIP3 2713 71.660 21.901 46.723 1.00 0.00 WT2 O ATOM 29561 H1 TIP3 2713 72.110 22.695 47.011 1.00 0.00 WT2 H ATOM 29562 H2 TIP3 2713 71.200 21.590 47.502 1.00 0.00 WT2 H ATOM 29563 OH2 TIP3 2714 67.095 86.037 -17.806 1.00 0.00 WT2 O ATOM 29564 H1 TIP3 2714 67.339 85.449 -18.521 1.00 0.00 WT2 H ATOM 29565 H2 TIP3 2714 66.450 85.544 -17.299 1.00 0.00 WT2 H ATOM 29566 OH2 TIP3 2715 42.025 38.552 2.857 1.00 0.00 WT2 O ATOM 29567 H1 TIP3 2715 42.645 38.174 3.481 1.00 0.00 WT2 H ATOM 29568 H2 TIP3 2715 41.394 39.021 3.402 1.00 0.00 WT2 H ATOM 29569 OH2 TIP3 2717 77.343 12.770 -6.364 1.00 0.00 WT2 O ATOM 29570 H1 TIP3 2717 77.190 12.890 -7.302 1.00 0.00 WT2 H ATOM 29571 H2 TIP3 2717 76.671 13.306 -5.941 1.00 0.00 WT2 H ATOM 29572 OH2 TIP3 2732 66.039 89.291 49.018 1.00 0.00 WT2 O ATOM 29573 H1 TIP3 2732 65.190 89.060 48.641 1.00 0.00 WT2 H ATOM 29574 H2 TIP3 2732 65.875 90.105 49.495 1.00 0.00 WT2 H ATOM 29575 OH2 TIP3 2734 25.731 83.528 64.635 1.00 0.00 WT2 O ATOM 29576 H1 TIP3 2734 25.584 84.455 64.826 1.00 0.00 WT2 H ATOM 29577 H2 TIP3 2734 26.607 83.498 64.249 1.00 0.00 WT2 H ATOM 29578 OH2 TIP3 2735 51.370 34.091 -13.709 1.00 0.00 WT2 O ATOM 29579 H1 TIP3 2735 50.747 34.804 -13.566 1.00 0.00 WT2 H ATOM 29580 H2 TIP3 2735 52.004 34.181 -12.997 1.00 0.00 WT2 H ATOM 29581 OH2 TIP3 2736 87.943 29.251 40.820 1.00 0.00 WT2 O ATOM 29582 H1 TIP3 2736 87.916 28.859 41.692 1.00 0.00 WT2 H ATOM 29583 H2 TIP3 2736 87.076 29.641 40.705 1.00 0.00 WT2 H ATOM 29584 OH2 TIP3 2753 40.090 59.848 -10.880 1.00 0.00 WT2 O ATOM 29585 H1 TIP3 2753 39.728 59.996 -10.006 1.00 0.00 WT2 H ATOM 29586 H2 TIP3 2753 41.036 59.935 -10.766 1.00 0.00 WT2 H ATOM 29587 OH2 TIP3 2754 32.285 38.779 23.372 1.00 0.00 WT2 O ATOM 29588 H1 TIP3 2754 32.798 38.228 22.782 1.00 0.00 WT2 H ATOM 29589 H2 TIP3 2754 32.874 38.959 24.105 1.00 0.00 WT2 H ATOM 29590 OH2 TIP3 2755 74.162 18.929 37.297 1.00 0.00 WT2 O ATOM 29591 H1 TIP3 2755 75.063 19.203 37.126 1.00 0.00 WT2 H ATOM 29592 H2 TIP3 2755 74.214 18.428 38.111 1.00 0.00 WT2 H ATOM 29593 OH2 TIP3 2757 48.054 95.622 3.809 1.00 0.00 WT2 O ATOM 29594 H1 TIP3 2757 47.878 96.041 2.967 1.00 0.00 WT2 H ATOM 29595 H2 TIP3 2757 47.820 96.284 4.460 1.00 0.00 WT2 H ATOM 29596 OH2 TIP3 2758 84.067 75.913 12.795 1.00 0.00 WT2 O ATOM 29597 H1 TIP3 2758 84.399 75.214 13.359 1.00 0.00 WT2 H ATOM 29598 H2 TIP3 2758 84.395 75.692 11.922 1.00 0.00 WT2 H ATOM 29599 OH2 TIP3 2771 38.656 58.807 -13.450 1.00 0.00 WT2 O ATOM 29600 H1 TIP3 2771 38.302 59.195 -14.250 1.00 0.00 WT2 H ATOM 29601 H2 TIP3 2771 38.809 57.889 -13.676 1.00 0.00 WT2 H ATOM 29602 OH2 TIP3 2773 86.330 41.444 31.023 1.00 0.00 WT2 O ATOM 29603 H1 TIP3 2773 85.428 41.228 30.785 1.00 0.00 WT2 H ATOM 29604 H2 TIP3 2773 86.800 41.464 30.189 1.00 0.00 WT2 H ATOM 29605 OH2 TIP3 2774 21.448 25.378 6.501 1.00 0.00 WT2 O ATOM 29606 H1 TIP3 2774 21.834 26.208 6.778 1.00 0.00 WT2 H ATOM 29607 H2 TIP3 2774 22.192 24.780 6.424 1.00 0.00 WT2 H ATOM 29608 OH2 TIP3 2775 84.499 83.770 18.145 1.00 0.00 WT2 O ATOM 29609 H1 TIP3 2775 85.442 83.823 17.991 1.00 0.00 WT2 H ATOM 29610 H2 TIP3 2775 84.395 83.027 18.740 1.00 0.00 WT2 H ATOM 29611 OH2 TIP3 2776 65.514 9.020 16.702 1.00 0.00 WT2 O ATOM 29612 H1 TIP3 2776 64.657 9.444 16.730 1.00 0.00 WT2 H ATOM 29613 H2 TIP3 2776 65.735 8.866 17.621 1.00 0.00 WT2 H ATOM 29614 OH2 TIP3 2777 40.959 8.556 -12.087 1.00 0.00 WT2 O ATOM 29615 H1 TIP3 2777 41.825 8.544 -12.494 1.00 0.00 WT2 H ATOM 29616 H2 TIP3 2777 40.595 9.410 -12.322 1.00 0.00 WT2 H ATOM 29617 OH2 TIP3 2778 80.518 46.323 67.277 1.00 0.00 WT2 O ATOM 29618 H1 TIP3 2778 80.225 47.121 66.837 1.00 0.00 WT2 H ATOM 29619 H2 TIP3 2778 80.176 45.612 66.736 1.00 0.00 WT2 H ATOM 29620 OH2 TIP3 2781 75.772 3.146 47.160 1.00 0.00 WT2 O ATOM 29621 H1 TIP3 2781 76.432 2.459 47.067 1.00 0.00 WT2 H ATOM 29622 H2 TIP3 2781 75.861 3.673 46.366 1.00 0.00 WT2 H ATOM 29623 OH2 TIP3 2793 60.894 67.224 64.620 1.00 0.00 WT2 O ATOM 29624 H1 TIP3 2793 61.846 67.270 64.534 1.00 0.00 WT2 H ATOM 29625 H2 TIP3 2793 60.675 67.917 65.242 1.00 0.00 WT2 H ATOM 29626 OH2 TIP3 2794 39.684 45.415 2.384 1.00 0.00 WT2 O ATOM 29627 H1 TIP3 2794 39.696 44.486 2.153 1.00 0.00 WT2 H ATOM 29628 H2 TIP3 2794 38.891 45.521 2.910 1.00 0.00 WT2 H ATOM 29629 OH2 TIP3 2795 22.236 12.052 51.386 1.00 0.00 WT2 O ATOM 29630 H1 TIP3 2795 21.769 12.491 52.097 1.00 0.00 WT2 H ATOM 29631 H2 TIP3 2795 22.639 11.289 51.799 1.00 0.00 WT2 H ATOM 29632 OH2 TIP3 2796 65.229 17.499 45.369 1.00 0.00 WT2 O ATOM 29633 H1 TIP3 2796 65.246 17.153 44.477 1.00 0.00 WT2 H ATOM 29634 H2 TIP3 2796 64.669 18.274 45.316 1.00 0.00 WT2 H ATOM 29635 OH2 TIP3 2797 27.621 35.413 8.328 1.00 0.00 WT2 O ATOM 29636 H1 TIP3 2797 28.092 36.218 8.109 1.00 0.00 WT2 H ATOM 29637 H2 TIP3 2797 26.800 35.714 8.717 1.00 0.00 WT2 H ATOM 29638 OH2 TIP3 2798 28.088 78.586 43.541 1.00 0.00 WT2 O ATOM 29639 H1 TIP3 2798 28.708 78.369 42.845 1.00 0.00 WT2 H ATOM 29640 H2 TIP3 2798 28.505 79.302 44.020 1.00 0.00 WT2 H ATOM 29641 OH2 TIP3 2802 60.424 16.891 24.082 1.00 0.00 WT2 O ATOM 29642 H1 TIP3 2802 60.051 17.765 23.970 1.00 0.00 WT2 H ATOM 29643 H2 TIP3 2802 60.645 16.609 23.194 1.00 0.00 WT2 H ATOM 29644 OH2 TIP3 2814 66.047 3.135 -5.817 1.00 0.00 WT2 O ATOM 29645 H1 TIP3 2814 65.636 3.691 -5.155 1.00 0.00 WT2 H ATOM 29646 H2 TIP3 2814 66.685 3.705 -6.247 1.00 0.00 WT2 H ATOM 29647 OH2 TIP3 2815 55.303 73.807 57.796 1.00 0.00 WT2 O ATOM 29648 H1 TIP3 2815 54.423 73.447 57.680 1.00 0.00 WT2 H ATOM 29649 H2 TIP3 2815 55.188 74.523 58.421 1.00 0.00 WT2 H ATOM 29650 OH2 TIP3 2817 29.085 91.816 -1.896 1.00 0.00 WT2 O ATOM 29651 H1 TIP3 2817 28.642 91.307 -2.575 1.00 0.00 WT2 H ATOM 29652 H2 TIP3 2817 29.968 91.956 -2.238 1.00 0.00 WT2 H ATOM 29653 OH2 TIP3 2818 35.604 88.580 35.677 1.00 0.00 WT2 O ATOM 29654 H1 TIP3 2818 36.062 87.841 35.277 1.00 0.00 WT2 H ATOM 29655 H2 TIP3 2818 36.144 88.817 36.431 1.00 0.00 WT2 H ATOM 29656 OH2 TIP3 2819 60.381 48.418 36.533 1.00 0.00 WT2 O ATOM 29657 H1 TIP3 2819 60.225 49.327 36.789 1.00 0.00 WT2 H ATOM 29658 H2 TIP3 2819 60.316 47.923 37.350 1.00 0.00 WT2 H ATOM 29659 OH2 TIP3 2820 25.430 49.001 -1.197 1.00 0.00 WT2 O ATOM 29660 H1 TIP3 2820 25.193 49.923 -1.294 1.00 0.00 WT2 H ATOM 29661 H2 TIP3 2820 26.282 49.017 -0.762 1.00 0.00 WT2 H ATOM 29662 OH2 TIP3 2821 54.287 12.795 -0.576 1.00 0.00 WT2 O ATOM 29663 H1 TIP3 2821 54.920 13.458 -0.301 1.00 0.00 WT2 H ATOM 29664 H2 TIP3 2821 53.466 13.276 -0.680 1.00 0.00 WT2 H ATOM 29665 OH2 TIP3 2822 26.000 51.194 19.133 1.00 0.00 WT2 O ATOM 29666 H1 TIP3 2822 26.930 51.337 19.311 1.00 0.00 WT2 H ATOM 29667 H2 TIP3 2822 25.825 51.706 18.343 1.00 0.00 WT2 H ATOM 29668 OH2 TIP3 2823 62.602 61.242 52.287 1.00 0.00 WT2 O ATOM 29669 H1 TIP3 2823 62.154 60.509 52.708 1.00 0.00 WT2 H ATOM 29670 H2 TIP3 2823 62.511 61.967 52.906 1.00 0.00 WT2 H ATOM 29671 OH2 TIP3 2832 21.671 20.369 67.025 1.00 0.00 WT2 O ATOM 29672 H1 TIP3 2832 21.906 21.295 67.089 1.00 0.00 WT2 H ATOM 29673 H2 TIP3 2832 21.388 20.255 66.118 1.00 0.00 WT2 H ATOM 29674 OH2 TIP3 2838 20.963 57.417 48.922 1.00 0.00 WT2 O ATOM 29675 H1 TIP3 2838 21.601 57.696 49.580 1.00 0.00 WT2 H ATOM 29676 H2 TIP3 2838 20.660 58.232 48.522 1.00 0.00 WT2 H ATOM 29677 OH2 TIP3 2839 78.407 88.571 -11.305 1.00 0.00 WT2 O ATOM 29678 H1 TIP3 2839 78.869 87.749 -11.138 1.00 0.00 WT2 H ATOM 29679 H2 TIP3 2839 78.866 88.956 -12.052 1.00 0.00 WT2 H ATOM 29680 OH2 TIP3 2840 25.719 12.348 1.992 1.00 0.00 WT2 O ATOM 29681 H1 TIP3 2840 26.534 11.997 2.352 1.00 0.00 WT2 H ATOM 29682 H2 TIP3 2840 25.956 13.215 1.662 1.00 0.00 WT2 H ATOM 29683 OH2 TIP3 2841 57.150 23.015 -11.882 1.00 0.00 WT2 O ATOM 29684 H1 TIP3 2841 57.182 23.971 -11.842 1.00 0.00 WT2 H ATOM 29685 H2 TIP3 2841 57.659 22.790 -12.660 1.00 0.00 WT2 H ATOM 29686 OH2 TIP3 2842 42.580 85.885 63.540 1.00 0.00 WT2 O ATOM 29687 H1 TIP3 2842 42.515 86.722 63.081 1.00 0.00 WT2 H ATOM 29688 H2 TIP3 2842 43.434 85.536 63.283 1.00 0.00 WT2 H ATOM 29689 OH2 TIP3 2843 39.129 25.571 41.245 1.00 0.00 WT2 O ATOM 29690 H1 TIP3 2843 39.074 25.495 40.292 1.00 0.00 WT2 H ATOM 29691 H2 TIP3 2843 39.976 25.184 41.468 1.00 0.00 WT2 H ATOM 29692 OH2 TIP3 2857 62.063 91.368 58.668 1.00 0.00 WT2 O ATOM 29693 H1 TIP3 2857 62.129 91.820 57.827 1.00 0.00 WT2 H ATOM 29694 H2 TIP3 2857 61.589 91.979 59.232 1.00 0.00 WT2 H ATOM 29695 OH2 TIP3 2859 27.685 84.409 60.381 1.00 0.00 WT2 O ATOM 29696 H1 TIP3 2859 27.660 84.860 59.537 1.00 0.00 WT2 H ATOM 29697 H2 TIP3 2859 27.815 85.107 61.023 1.00 0.00 WT2 H ATOM 29698 OH2 TIP3 2862 54.254 18.951 36.090 1.00 0.00 WT2 O ATOM 29699 H1 TIP3 2862 54.285 19.876 35.846 1.00 0.00 WT2 H ATOM 29700 H2 TIP3 2862 53.830 18.521 35.347 1.00 0.00 WT2 H ATOM 29701 OH2 TIP3 2863 70.593 25.794 64.253 1.00 0.00 WT2 O ATOM 29702 H1 TIP3 2863 70.623 26.190 63.382 1.00 0.00 WT2 H ATOM 29703 H2 TIP3 2863 70.778 24.867 64.102 1.00 0.00 WT2 H ATOM 29704 OH2 TIP3 2877 48.669 7.551 60.925 1.00 0.00 WT2 O ATOM 29705 H1 TIP3 2877 49.554 7.385 60.599 1.00 0.00 WT2 H ATOM 29706 H2 TIP3 2877 48.763 7.564 61.878 1.00 0.00 WT2 H ATOM 29707 OH2 TIP3 2878 87.040 93.182 51.936 1.00 0.00 WT2 O ATOM 29708 H1 TIP3 2878 87.952 93.448 51.822 1.00 0.00 WT2 H ATOM 29709 H2 TIP3 2878 86.565 94.003 52.067 1.00 0.00 WT2 H ATOM 29710 OH2 TIP3 2880 60.145 26.900 1.909 1.00 0.00 WT2 O ATOM 29711 H1 TIP3 2880 60.448 26.785 1.009 1.00 0.00 WT2 H ATOM 29712 H2 TIP3 2880 59.841 26.031 2.173 1.00 0.00 WT2 H ATOM 29713 OH2 TIP3 2882 30.899 67.108 50.430 1.00 0.00 WT2 O ATOM 29714 H1 TIP3 2882 30.678 66.703 49.592 1.00 0.00 WT2 H ATOM 29715 H2 TIP3 2882 30.232 67.784 50.553 1.00 0.00 WT2 H ATOM 29716 OH2 TIP3 2883 32.832 49.709 40.705 1.00 0.00 WT2 O ATOM 29717 H1 TIP3 2883 32.793 49.312 39.835 1.00 0.00 WT2 H ATOM 29718 H2 TIP3 2883 33.081 48.990 41.286 1.00 0.00 WT2 H ATOM 29719 OH2 TIP3 2884 24.620 64.406 48.449 1.00 0.00 WT2 O ATOM 29720 H1 TIP3 2884 25.512 64.104 48.616 1.00 0.00 WT2 H ATOM 29721 H2 TIP3 2884 24.123 64.128 49.218 1.00 0.00 WT2 H ATOM 29722 OH2 TIP3 2899 84.549 3.291 -15.861 1.00 0.00 WT2 O ATOM 29723 H1 TIP3 2899 84.876 3.526 -16.729 1.00 0.00 WT2 H ATOM 29724 H2 TIP3 2899 84.559 4.113 -15.370 1.00 0.00 WT2 H ATOM 29725 OH2 TIP3 2900 39.850 26.675 50.366 1.00 0.00 WT2 O ATOM 29726 H1 TIP3 2900 40.033 27.275 49.644 1.00 0.00 WT2 H ATOM 29727 H2 TIP3 2900 40.502 26.894 51.031 1.00 0.00 WT2 H ATOM 29728 OH2 TIP3 2901 45.064 53.535 -5.157 1.00 0.00 WT2 O ATOM 29729 H1 TIP3 2901 45.360 53.591 -4.248 1.00 0.00 WT2 H ATOM 29730 H2 TIP3 2901 45.868 53.434 -5.666 1.00 0.00 WT2 H ATOM 29731 OH2 TIP3 2902 78.845 31.270 30.800 1.00 0.00 WT2 O ATOM 29732 H1 TIP3 2902 79.555 31.899 30.929 1.00 0.00 WT2 H ATOM 29733 H2 TIP3 2902 79.167 30.680 30.119 1.00 0.00 WT2 H ATOM 29734 OH2 TIP3 2903 66.262 24.036 6.952 1.00 0.00 WT2 O ATOM 29735 H1 TIP3 2903 67.158 24.313 6.757 1.00 0.00 WT2 H ATOM 29736 H2 TIP3 2903 65.718 24.537 6.345 1.00 0.00 WT2 H ATOM 29737 OH2 TIP3 2904 55.538 10.628 -19.743 1.00 0.00 WT2 O ATOM 29738 H1 TIP3 2904 55.754 9.793 -20.158 1.00 0.00 WT2 H ATOM 29739 H2 TIP3 2904 54.603 10.565 -19.549 1.00 0.00 WT2 H ATOM 29740 OH2 TIP3 2905 81.401 61.816 18.334 1.00 0.00 WT2 O ATOM 29741 H1 TIP3 2905 81.950 62.166 17.633 1.00 0.00 WT2 H ATOM 29742 H2 TIP3 2905 80.655 61.421 17.882 1.00 0.00 WT2 H ATOM 29743 OH2 TIP3 2908 57.778 8.918 -6.826 1.00 0.00 WT2 O ATOM 29744 H1 TIP3 2908 56.891 8.558 -6.828 1.00 0.00 WT2 H ATOM 29745 H2 TIP3 2908 58.222 8.459 -6.114 1.00 0.00 WT2 H ATOM 29746 OH2 TIP3 2918 30.140 14.740 41.787 1.00 0.00 WT2 O ATOM 29747 H1 TIP3 2918 30.754 15.148 42.398 1.00 0.00 WT2 H ATOM 29748 H2 TIP3 2918 29.663 14.102 42.317 1.00 0.00 WT2 H ATOM 29749 OH2 TIP3 2919 34.556 27.555 16.639 1.00 0.00 WT2 O ATOM 29750 H1 TIP3 2919 34.981 28.109 17.293 1.00 0.00 WT2 H ATOM 29751 H2 TIP3 2919 34.275 28.163 15.955 1.00 0.00 WT2 H ATOM 29752 OH2 TIP3 2920 63.547 57.274 53.826 1.00 0.00 WT2 O ATOM 29753 H1 TIP3 2920 64.284 56.794 53.448 1.00 0.00 WT2 H ATOM 29754 H2 TIP3 2920 62.992 56.596 54.211 1.00 0.00 WT2 H ATOM 29755 OH2 TIP3 2922 23.278 32.611 30.097 1.00 0.00 WT2 O ATOM 29756 H1 TIP3 2922 23.097 33.215 29.377 1.00 0.00 WT2 H ATOM 29757 H2 TIP3 2922 23.732 31.876 29.686 1.00 0.00 WT2 H ATOM 29758 OH2 TIP3 2923 33.079 69.581 -6.414 1.00 0.00 WT2 O ATOM 29759 H1 TIP3 2923 32.643 68.742 -6.566 1.00 0.00 WT2 H ATOM 29760 H2 TIP3 2923 32.974 70.059 -7.236 1.00 0.00 WT2 H ATOM 29761 OH2 TIP3 2925 63.845 14.213 52.202 1.00 0.00 WT2 O ATOM 29762 H1 TIP3 2925 63.154 13.696 51.788 1.00 0.00 WT2 H ATOM 29763 H2 TIP3 2925 63.469 14.489 53.038 1.00 0.00 WT2 H ATOM 29764 OH2 TIP3 2927 39.425 13.448 -0.657 1.00 0.00 WT2 O ATOM 29765 H1 TIP3 2927 39.235 14.267 -1.116 1.00 0.00 WT2 H ATOM 29766 H2 TIP3 2927 39.860 12.902 -1.311 1.00 0.00 WT2 H ATOM 29767 OH2 TIP3 2938 48.075 19.767 61.723 1.00 0.00 WT2 O ATOM 29768 H1 TIP3 2938 48.102 20.641 61.332 1.00 0.00 WT2 H ATOM 29769 H2 TIP3 2938 48.091 19.169 60.976 1.00 0.00 WT2 H ATOM 29770 OH2 TIP3 2941 51.534 13.304 64.605 1.00 0.00 WT2 O ATOM 29771 H1 TIP3 2941 51.672 12.943 65.481 1.00 0.00 WT2 H ATOM 29772 H2 TIP3 2941 50.736 13.827 64.683 1.00 0.00 WT2 H ATOM 29773 OH2 TIP3 2942 31.089 23.676 -8.631 1.00 0.00 WT2 O ATOM 29774 H1 TIP3 2942 30.815 24.558 -8.379 1.00 0.00 WT2 H ATOM 29775 H2 TIP3 2942 32.009 23.627 -8.371 1.00 0.00 WT2 H ATOM 29776 OH2 TIP3 2943 86.537 34.560 1.270 1.00 0.00 WT2 O ATOM 29777 H1 TIP3 2943 86.962 33.903 1.821 1.00 0.00 WT2 H ATOM 29778 H2 TIP3 2943 86.130 35.166 1.889 1.00 0.00 WT2 H ATOM 29779 OH2 TIP3 2944 68.791 22.834 58.651 1.00 0.00 WT2 O ATOM 29780 H1 TIP3 2944 68.878 23.617 59.195 1.00 0.00 WT2 H ATOM 29781 H2 TIP3 2944 67.858 22.620 58.688 1.00 0.00 WT2 H ATOM 29782 OH2 TIP3 2945 28.352 49.394 46.276 1.00 0.00 WT2 O ATOM 29783 H1 TIP3 2945 28.214 49.880 45.463 1.00 0.00 WT2 H ATOM 29784 H2 TIP3 2945 27.471 49.233 46.612 1.00 0.00 WT2 H ATOM 29785 OH2 TIP3 2946 79.425 14.982 6.597 1.00 0.00 WT2 O ATOM 29786 H1 TIP3 2946 79.606 14.987 5.658 1.00 0.00 WT2 H ATOM 29787 H2 TIP3 2946 79.604 15.878 6.882 1.00 0.00 WT2 H ATOM 29788 OH2 TIP3 2960 35.663 67.333 41.381 1.00 0.00 WT2 O ATOM 29789 H1 TIP3 2960 35.541 67.963 40.672 1.00 0.00 WT2 H ATOM 29790 H2 TIP3 2960 36.563 67.024 41.275 1.00 0.00 WT2 H ATOM 29791 OH2 TIP3 2961 55.434 21.454 -8.760 1.00 0.00 WT2 O ATOM 29792 H1 TIP3 2961 55.013 22.308 -8.855 1.00 0.00 WT2 H ATOM 29793 H2 TIP3 2961 55.096 21.110 -7.932 1.00 0.00 WT2 H ATOM 29794 OH2 TIP3 2963 46.219 22.439 59.380 1.00 0.00 WT2 O ATOM 29795 H1 TIP3 2963 47.044 22.923 59.355 1.00 0.00 WT2 H ATOM 29796 H2 TIP3 2963 45.690 22.899 60.031 1.00 0.00 WT2 H ATOM 29797 OH2 TIP3 2964 35.928 78.285 -13.450 1.00 0.00 WT2 O ATOM 29798 H1 TIP3 2964 35.446 79.012 -13.054 1.00 0.00 WT2 H ATOM 29799 H2 TIP3 2964 35.572 77.503 -13.028 1.00 0.00 WT2 H ATOM 29800 OH2 TIP3 2966 69.820 38.551 57.520 1.00 0.00 WT2 O ATOM 29801 H1 TIP3 2966 70.282 38.514 56.682 1.00 0.00 WT2 H ATOM 29802 H2 TIP3 2966 69.038 39.072 57.340 1.00 0.00 WT2 H ATOM 29803 OH2 TIP3 2967 77.114 49.305 -15.320 1.00 0.00 WT2 O ATOM 29804 H1 TIP3 2967 77.847 48.978 -14.798 1.00 0.00 WT2 H ATOM 29805 H2 TIP3 2967 77.079 50.241 -15.123 1.00 0.00 WT2 H ATOM 29806 OH2 TIP3 2969 50.993 42.450 46.855 1.00 0.00 WT2 O ATOM 29807 H1 TIP3 2969 51.090 43.401 46.801 1.00 0.00 WT2 H ATOM 29808 H2 TIP3 2969 50.548 42.208 46.044 1.00 0.00 WT2 H ATOM 29809 OH2 TIP3 2972 50.655 10.261 38.682 1.00 0.00 WT2 O ATOM 29810 H1 TIP3 2972 51.323 10.931 38.824 1.00 0.00 WT2 H ATOM 29811 H2 TIP3 2972 50.135 10.591 37.949 1.00 0.00 WT2 H ATOM 29812 OH2 TIP3 2979 49.201 62.386 52.123 1.00 0.00 WT2 O ATOM 29813 H1 TIP3 2979 49.127 61.722 51.438 1.00 0.00 WT2 H ATOM 29814 H2 TIP3 2979 48.911 63.196 51.703 1.00 0.00 WT2 H ATOM 29815 OH2 TIP3 2983 32.357 75.319 3.572 1.00 0.00 WT2 O ATOM 29816 H1 TIP3 2983 32.635 75.286 2.656 1.00 0.00 WT2 H ATOM 29817 H2 TIP3 2983 32.116 74.417 3.782 1.00 0.00 WT2 H ATOM 29818 OH2 TIP3 2984 69.892 2.020 27.835 1.00 0.00 WT2 O ATOM 29819 H1 TIP3 2984 70.253 1.472 27.139 1.00 0.00 WT2 H ATOM 29820 H2 TIP3 2984 70.650 2.267 28.365 1.00 0.00 WT2 H ATOM 29821 OH2 TIP3 2986 68.633 82.090 51.924 1.00 0.00 WT2 O ATOM 29822 H1 TIP3 2986 67.985 81.629 52.458 1.00 0.00 WT2 H ATOM 29823 H2 TIP3 2986 69.057 81.400 51.414 1.00 0.00 WT2 H ATOM 29824 OH2 TIP3 2989 60.942 94.361 0.844 1.00 0.00 WT2 O ATOM 29825 H1 TIP3 2989 61.504 93.591 0.935 1.00 0.00 WT2 H ATOM 29826 H2 TIP3 2989 60.244 94.079 0.252 1.00 0.00 WT2 H ATOM 29827 OH2 TIP3 2990 26.211 0.469 43.630 1.00 0.00 WT2 O ATOM 29828 H1 TIP3 2990 26.554 0.088 44.438 1.00 0.00 WT2 H ATOM 29829 H2 TIP3 2990 26.311 1.414 43.749 1.00 0.00 WT2 H ATOM 29830 OH2 TIP3 2992 27.636 92.005 62.209 1.00 0.00 WT2 O ATOM 29831 H1 TIP3 2992 28.408 92.570 62.168 1.00 0.00 WT2 H ATOM 29832 H2 TIP3 2992 26.969 92.475 61.710 1.00 0.00 WT2 H ATOM 29833 OH2 TIP3 3002 42.686 8.355 48.762 1.00 0.00 WT2 O ATOM 29834 H1 TIP3 3002 42.301 7.714 49.359 1.00 0.00 WT2 H ATOM 29835 H2 TIP3 3002 42.127 9.128 48.847 1.00 0.00 WT2 H ATOM 29836 OH2 TIP3 3006 74.458 10.010 41.326 1.00 0.00 WT2 O ATOM 29837 H1 TIP3 3006 73.896 9.598 41.983 1.00 0.00 WT2 H ATOM 29838 H2 TIP3 3006 74.901 10.715 41.797 1.00 0.00 WT2 H ATOM 29839 OH2 TIP3 3009 36.576 55.103 -13.680 1.00 0.00 WT2 O ATOM 29840 H1 TIP3 3009 36.942 55.488 -12.884 1.00 0.00 WT2 H ATOM 29841 H2 TIP3 3009 37.292 54.585 -14.048 1.00 0.00 WT2 H ATOM 29842 OH2 TIP3 3010 77.597 10.736 53.809 1.00 0.00 WT2 O ATOM 29843 H1 TIP3 3010 77.342 9.815 53.750 1.00 0.00 WT2 H ATOM 29844 H2 TIP3 3010 77.843 10.974 52.915 1.00 0.00 WT2 H ATOM 29845 OH2 TIP3 3011 22.296 61.221 0.072 1.00 0.00 WT2 O ATOM 29846 H1 TIP3 3011 21.631 61.345 0.749 1.00 0.00 WT2 H ATOM 29847 H2 TIP3 3011 22.811 60.473 0.376 1.00 0.00 WT2 H ATOM 29848 OH2 TIP3 3012 82.273 1.092 -18.545 1.00 0.00 WT2 O ATOM 29849 H1 TIP3 3012 82.501 1.709 -19.241 1.00 0.00 WT2 H ATOM 29850 H2 TIP3 3012 82.924 1.249 -17.862 1.00 0.00 WT2 H ATOM 29851 OH2 TIP3 3013 66.655 8.317 1.239 1.00 0.00 WT2 O ATOM 29852 H1 TIP3 3013 66.560 8.988 1.915 1.00 0.00 WT2 H ATOM 29853 H2 TIP3 3013 65.901 7.741 1.366 1.00 0.00 WT2 H ATOM 29854 OH2 TIP3 3018 73.328 59.156 58.942 1.00 0.00 WT2 O ATOM 29855 H1 TIP3 3018 72.550 58.598 58.959 1.00 0.00 WT2 H ATOM 29856 H2 TIP3 3018 73.227 59.685 58.151 1.00 0.00 WT2 H ATOM 29857 OH2 TIP3 3027 88.154 14.063 45.997 1.00 0.00 WT2 O ATOM 29858 H1 TIP3 3027 87.724 14.351 46.802 1.00 0.00 WT2 H ATOM 29859 H2 TIP3 3027 88.033 13.114 45.987 1.00 0.00 WT2 H ATOM 29860 OH2 TIP3 3028 72.068 70.296 27.563 1.00 0.00 WT2 O ATOM 29861 H1 TIP3 3028 71.676 69.458 27.810 1.00 0.00 WT2 H ATOM 29862 H2 TIP3 3028 71.680 70.929 28.166 1.00 0.00 WT2 H ATOM 29863 OH2 TIP3 3029 45.068 30.005 40.077 1.00 0.00 WT2 O ATOM 29864 H1 TIP3 3029 44.780 30.900 40.255 1.00 0.00 WT2 H ATOM 29865 H2 TIP3 3029 44.291 29.568 39.727 1.00 0.00 WT2 H ATOM 29866 OH2 TIP3 3046 50.480 77.622 38.698 1.00 0.00 WT2 O ATOM 29867 H1 TIP3 3046 50.935 78.433 38.925 1.00 0.00 WT2 H ATOM 29868 H2 TIP3 3046 50.545 77.081 39.485 1.00 0.00 WT2 H ATOM 29869 OH2 TIP3 3048 81.810 12.563 47.157 1.00 0.00 WT2 O ATOM 29870 H1 TIP3 3048 82.289 11.904 47.659 1.00 0.00 WT2 H ATOM 29871 H2 TIP3 3048 81.247 12.993 47.801 1.00 0.00 WT2 H ATOM 29872 OH2 TIP3 3049 84.506 31.751 53.679 1.00 0.00 WT2 O ATOM 29873 H1 TIP3 3049 84.964 32.297 53.040 1.00 0.00 WT2 H ATOM 29874 H2 TIP3 3049 85.193 31.208 54.066 1.00 0.00 WT2 H ATOM 29875 OH2 TIP3 3050 63.486 62.762 60.013 1.00 0.00 WT2 O ATOM 29876 H1 TIP3 3050 63.566 61.854 60.305 1.00 0.00 WT2 H ATOM 29877 H2 TIP3 3050 62.819 62.736 59.328 1.00 0.00 WT2 H ATOM 29878 OH2 TIP3 3051 54.513 77.469 -8.141 1.00 0.00 WT2 O ATOM 29879 H1 TIP3 3051 54.017 76.695 -7.875 1.00 0.00 WT2 H ATOM 29880 H2 TIP3 3051 55.392 77.139 -8.328 1.00 0.00 WT2 H ATOM 29881 OH2 TIP3 3052 44.702 62.384 59.745 1.00 0.00 WT2 O ATOM 29882 H1 TIP3 3052 44.575 61.944 58.905 1.00 0.00 WT2 H ATOM 29883 H2 TIP3 3052 45.473 62.936 59.613 1.00 0.00 WT2 H ATOM 29884 OH2 TIP3 3067 82.614 84.071 46.354 1.00 0.00 WT2 O ATOM 29885 H1 TIP3 3067 82.321 84.397 45.503 1.00 0.00 WT2 H ATOM 29886 H2 TIP3 3067 82.390 84.770 46.968 1.00 0.00 WT2 H ATOM 29887 OH2 TIP3 3069 39.017 73.844 -1.458 1.00 0.00 WT2 O ATOM 29888 H1 TIP3 3069 38.779 73.330 -0.686 1.00 0.00 WT2 H ATOM 29889 H2 TIP3 3069 39.973 73.810 -1.484 1.00 0.00 WT2 H ATOM 29890 OH2 TIP3 3070 60.887 19.384 5.464 1.00 0.00 WT2 O ATOM 29891 H1 TIP3 3070 60.859 20.147 6.040 1.00 0.00 WT2 H ATOM 29892 H2 TIP3 3070 61.798 19.337 5.172 1.00 0.00 WT2 H ATOM 29893 OH2 TIP3 3072 80.674 93.315 64.182 1.00 0.00 WT2 O ATOM 29894 H1 TIP3 3072 81.373 92.683 64.018 1.00 0.00 WT2 H ATOM 29895 H2 TIP3 3072 80.141 93.297 63.387 1.00 0.00 WT2 H ATOM 29896 OH2 TIP3 3073 84.208 48.498 -16.694 1.00 0.00 WT2 O ATOM 29897 H1 TIP3 3073 83.968 48.508 -15.767 1.00 0.00 WT2 H ATOM 29898 H2 TIP3 3073 84.147 49.413 -16.968 1.00 0.00 WT2 H ATOM 29899 OH2 TIP3 3076 48.237 72.866 52.008 1.00 0.00 WT2 O ATOM 29900 H1 TIP3 3076 47.835 72.045 51.725 1.00 0.00 WT2 H ATOM 29901 H2 TIP3 3076 48.258 72.807 52.963 1.00 0.00 WT2 H ATOM 29902 OH2 TIP3 3085 84.593 87.522 42.053 1.00 0.00 WT2 O ATOM 29903 H1 TIP3 3085 83.674 87.785 42.016 1.00 0.00 WT2 H ATOM 29904 H2 TIP3 3085 84.573 86.567 41.982 1.00 0.00 WT2 H ATOM 29905 OH2 TIP3 3086 28.845 9.792 47.797 1.00 0.00 WT2 O ATOM 29906 H1 TIP3 3086 29.118 10.550 48.314 1.00 0.00 WT2 H ATOM 29907 H2 TIP3 3086 29.335 9.058 48.170 1.00 0.00 WT2 H ATOM 29908 OH2 TIP3 3087 35.572 47.919 38.864 1.00 0.00 WT2 O ATOM 29909 H1 TIP3 3087 36.394 47.533 38.562 1.00 0.00 WT2 H ATOM 29910 H2 TIP3 3087 34.907 47.555 38.279 1.00 0.00 WT2 H ATOM 29911 OH2 TIP3 3088 55.150 41.489 38.464 1.00 0.00 WT2 O ATOM 29912 H1 TIP3 3088 54.706 40.651 38.330 1.00 0.00 WT2 H ATOM 29913 H2 TIP3 3088 55.271 41.840 37.582 1.00 0.00 WT2 H ATOM 29914 OH2 TIP3 3091 38.555 71.076 28.832 1.00 0.00 WT2 O ATOM 29915 H1 TIP3 3091 38.918 70.403 28.256 1.00 0.00 WT2 H ATOM 29916 H2 TIP3 3091 39.306 71.621 29.067 1.00 0.00 WT2 H ATOM 29917 OH2 TIP3 3092 40.539 68.728 -8.309 1.00 0.00 WT2 O ATOM 29918 H1 TIP3 3092 40.492 69.239 -7.502 1.00 0.00 WT2 H ATOM 29919 H2 TIP3 3092 41.117 67.995 -8.097 1.00 0.00 WT2 H ATOM 29920 OH2 TIP3 3093 55.266 52.227 60.860 1.00 0.00 WT2 O ATOM 29921 H1 TIP3 3093 54.668 52.738 61.406 1.00 0.00 WT2 H ATOM 29922 H2 TIP3 3093 55.227 52.649 60.002 1.00 0.00 WT2 H ATOM 29923 OH2 TIP3 3094 61.795 95.848 44.676 1.00 0.00 WT2 O ATOM 29924 H1 TIP3 3094 60.857 95.941 44.843 1.00 0.00 WT2 H ATOM 29925 H2 TIP3 3094 61.848 95.245 43.935 1.00 0.00 WT2 H ATOM 29926 OH2 TIP3 3095 78.933 89.623 63.613 1.00 0.00 WT2 O ATOM 29927 H1 TIP3 3095 78.983 88.871 64.203 1.00 0.00 WT2 H ATOM 29928 H2 TIP3 3095 78.248 90.176 63.987 1.00 0.00 WT2 H ATOM 29929 OH2 TIP3 3097 76.051 46.253 -10.421 1.00 0.00 WT2 O ATOM 29930 H1 TIP3 3097 76.223 47.180 -10.260 1.00 0.00 WT2 H ATOM 29931 H2 TIP3 3097 76.681 46.005 -11.097 1.00 0.00 WT2 H ATOM 29932 OH2 TIP3 3108 40.170 13.752 36.980 1.00 0.00 WT2 O ATOM 29933 H1 TIP3 3108 40.684 13.567 36.194 1.00 0.00 WT2 H ATOM 29934 H2 TIP3 3108 40.729 14.325 37.504 1.00 0.00 WT2 H ATOM 29935 OH2 TIP3 3109 47.306 60.006 65.192 1.00 0.00 WT2 O ATOM 29936 H1 TIP3 3109 47.380 60.960 65.215 1.00 0.00 WT2 H ATOM 29937 H2 TIP3 3109 48.210 59.694 65.230 1.00 0.00 WT2 H ATOM 29938 OH2 TIP3 3110 25.182 60.436 42.019 1.00 0.00 WT2 O ATOM 29939 H1 TIP3 3110 25.317 61.361 41.812 1.00 0.00 WT2 H ATOM 29940 H2 TIP3 3110 24.267 60.382 42.294 1.00 0.00 WT2 H ATOM 29941 OH2 TIP3 3111 49.138 9.304 53.358 1.00 0.00 WT2 O ATOM 29942 H1 TIP3 3111 49.396 8.777 52.602 1.00 0.00 WT2 H ATOM 29943 H2 TIP3 3111 49.956 9.474 53.824 1.00 0.00 WT2 H ATOM 29944 OH2 TIP3 3112 75.698 26.008 42.807 1.00 0.00 WT2 O ATOM 29945 H1 TIP3 3112 76.432 25.397 42.737 1.00 0.00 WT2 H ATOM 29946 H2 TIP3 3112 74.937 25.503 42.522 1.00 0.00 WT2 H ATOM 29947 OH2 TIP3 3114 50.543 30.696 -17.311 1.00 0.00 WT2 O ATOM 29948 H1 TIP3 3114 50.823 30.759 -16.398 1.00 0.00 WT2 H ATOM 29949 H2 TIP3 3114 49.587 30.724 -17.271 1.00 0.00 WT2 H ATOM 29950 OH2 TIP3 3115 21.397 3.589 53.281 1.00 0.00 WT2 O ATOM 29951 H1 TIP3 3115 20.953 3.155 54.009 1.00 0.00 WT2 H ATOM 29952 H2 TIP3 3115 20.774 3.540 52.556 1.00 0.00 WT2 H ATOM 29953 OH2 TIP3 3116 37.413 86.008 22.920 1.00 0.00 WT2 O ATOM 29954 H1 TIP3 3116 38.349 86.185 23.011 1.00 0.00 WT2 H ATOM 29955 H2 TIP3 3116 37.365 85.290 22.288 1.00 0.00 WT2 H ATOM 29956 OH2 TIP3 3128 37.679 10.349 53.698 1.00 0.00 WT2 O ATOM 29957 H1 TIP3 3128 38.545 9.971 53.844 1.00 0.00 WT2 H ATOM 29958 H2 TIP3 3128 37.713 11.202 54.132 1.00 0.00 WT2 H ATOM 29959 OH2 TIP3 3129 49.166 42.343 31.353 1.00 0.00 WT2 O ATOM 29960 H1 TIP3 3129 49.773 42.353 30.614 1.00 0.00 WT2 H ATOM 29961 H2 TIP3 3129 48.875 41.433 31.413 1.00 0.00 WT2 H ATOM 29962 OH2 TIP3 3131 42.945 13.903 51.341 1.00 0.00 WT2 O ATOM 29963 H1 TIP3 3131 43.282 14.777 51.540 1.00 0.00 WT2 H ATOM 29964 H2 TIP3 3131 43.331 13.684 50.493 1.00 0.00 WT2 H ATOM 29965 OH2 TIP3 3134 70.066 23.540 -9.433 1.00 0.00 WT2 O ATOM 29966 H1 TIP3 3134 70.988 23.731 -9.260 1.00 0.00 WT2 H ATOM 29967 H2 TIP3 3134 69.974 23.639 -10.381 1.00 0.00 WT2 H ATOM 29968 OH2 TIP3 3140 72.306 95.061 33.026 1.00 0.00 WT2 O ATOM 29969 H1 TIP3 3140 72.069 95.988 33.056 1.00 0.00 WT2 H ATOM 29970 H2 TIP3 3140 71.533 94.605 33.359 1.00 0.00 WT2 H ATOM 29971 OH2 TIP3 3150 32.804 27.030 -1.589 1.00 0.00 WT2 O ATOM 29972 H1 TIP3 3150 32.617 27.968 -1.553 1.00 0.00 WT2 H ATOM 29973 H2 TIP3 3150 31.996 26.636 -1.917 1.00 0.00 WT2 H ATOM 29974 OH2 TIP3 3151 22.463 88.689 -17.561 1.00 0.00 WT2 O ATOM 29975 H1 TIP3 3151 22.778 88.259 -16.766 1.00 0.00 WT2 H ATOM 29976 H2 TIP3 3151 22.293 87.972 -18.171 1.00 0.00 WT2 H ATOM 29977 OH2 TIP3 3152 36.135 40.323 43.878 1.00 0.00 WT2 O ATOM 29978 H1 TIP3 3152 35.371 40.858 44.095 1.00 0.00 WT2 H ATOM 29979 H2 TIP3 3152 35.984 40.044 42.975 1.00 0.00 WT2 H ATOM 29980 OH2 TIP3 3153 79.862 59.781 22.599 1.00 0.00 WT2 O ATOM 29981 H1 TIP3 3153 79.168 60.302 22.196 1.00 0.00 WT2 H ATOM 29982 H2 TIP3 3153 79.420 59.282 23.285 1.00 0.00 WT2 H ATOM 29983 OH2 TIP3 3154 83.428 82.741 30.869 1.00 0.00 WT2 O ATOM 29984 H1 TIP3 3154 83.315 82.255 31.686 1.00 0.00 WT2 H ATOM 29985 H2 TIP3 3154 82.688 83.349 30.847 1.00 0.00 WT2 H ATOM 29986 OH2 TIP3 3157 51.116 74.528 52.937 1.00 0.00 WT2 O ATOM 29987 H1 TIP3 3157 51.510 73.661 52.838 1.00 0.00 WT2 H ATOM 29988 H2 TIP3 3157 50.469 74.579 52.233 1.00 0.00 WT2 H ATOM 29989 OH2 TIP3 3173 47.933 88.528 41.785 1.00 0.00 WT2 O ATOM 29990 H1 TIP3 3173 47.144 88.580 41.246 1.00 0.00 WT2 H ATOM 29991 H2 TIP3 3173 47.664 88.031 42.558 1.00 0.00 WT2 H ATOM 29992 OH2 TIP3 3174 38.896 62.765 35.259 1.00 0.00 WT2 O ATOM 29993 H1 TIP3 3174 38.433 61.934 35.149 1.00 0.00 WT2 H ATOM 29994 H2 TIP3 3174 38.394 63.389 34.735 1.00 0.00 WT2 H ATOM 29995 OH2 TIP3 3176 68.986 21.930 30.781 1.00 0.00 WT2 O ATOM 29996 H1 TIP3 3176 69.386 22.419 30.062 1.00 0.00 WT2 H ATOM 29997 H2 TIP3 3176 69.229 21.019 30.617 1.00 0.00 WT2 H ATOM 29998 OH2 TIP3 3177 81.802 0.293 32.916 1.00 0.00 WT2 O ATOM 29999 H1 TIP3 3177 82.565 0.155 32.356 1.00 0.00 WT2 H ATOM 30000 H2 TIP3 3177 81.138 0.658 32.331 1.00 0.00 WT2 H ATOM 30001 OH2 TIP3 3179 57.340 81.410 46.921 1.00 0.00 WT2 O ATOM 30002 H1 TIP3 3179 56.584 81.050 47.385 1.00 0.00 WT2 H ATOM 30003 H2 TIP3 3179 56.998 81.662 46.063 1.00 0.00 WT2 H ATOM 30004 OH2 TIP3 3187 87.852 66.854 62.986 1.00 0.00 WT2 O ATOM 30005 H1 TIP3 3187 88.080 66.063 63.474 1.00 0.00 WT2 H ATOM 30006 H2 TIP3 3187 87.952 67.564 63.620 1.00 0.00 WT2 H ATOM 30007 OH2 TIP3 3192 32.386 12.911 8.397 1.00 0.00 WT2 O ATOM 30008 H1 TIP3 3192 31.884 13.440 9.017 1.00 0.00 WT2 H ATOM 30009 H2 TIP3 3192 33.288 13.215 8.497 1.00 0.00 WT2 H ATOM 30010 OH2 TIP3 3193 79.676 2.630 65.161 1.00 0.00 WT2 O ATOM 30011 H1 TIP3 3193 79.234 3.435 64.892 1.00 0.00 WT2 H ATOM 30012 H2 TIP3 3193 79.742 2.699 66.113 1.00 0.00 WT2 H ATOM 30013 OH2 TIP3 3195 29.196 58.516 15.170 1.00 0.00 WT2 O ATOM 30014 H1 TIP3 3195 29.202 58.645 16.119 1.00 0.00 WT2 H ATOM 30015 H2 TIP3 3195 29.659 57.689 15.038 1.00 0.00 WT2 H ATOM 30016 OH2 TIP3 3196 56.864 93.000 -4.167 1.00 0.00 WT2 O ATOM 30017 H1 TIP3 3196 56.651 93.030 -5.099 1.00 0.00 WT2 H ATOM 30018 H2 TIP3 3196 56.085 92.626 -3.754 1.00 0.00 WT2 H ATOM 30019 OH2 TIP3 3197 46.940 5.093 61.520 1.00 0.00 WT2 O ATOM 30020 H1 TIP3 3197 47.695 5.474 61.071 1.00 0.00 WT2 H ATOM 30021 H2 TIP3 3197 46.683 5.756 62.161 1.00 0.00 WT2 H ATOM 30022 OH2 TIP3 3198 69.422 87.147 -1.810 1.00 0.00 WT2 O ATOM 30023 H1 TIP3 3198 69.906 86.974 -1.002 1.00 0.00 WT2 H ATOM 30024 H2 TIP3 3198 70.011 87.694 -2.329 1.00 0.00 WT2 H ATOM 30025 OH2 TIP3 3200 34.001 88.730 -9.373 1.00 0.00 WT2 O ATOM 30026 H1 TIP3 3200 33.256 88.660 -8.777 1.00 0.00 WT2 H ATOM 30027 H2 TIP3 3200 34.358 89.603 -9.210 1.00 0.00 WT2 H ATOM 30028 OH2 TIP3 3202 36.370 31.158 6.498 1.00 0.00 WT2 O ATOM 30029 H1 TIP3 3202 37.207 31.144 6.962 1.00 0.00 WT2 H ATOM 30030 H2 TIP3 3202 35.884 30.415 6.856 1.00 0.00 WT2 H ATOM 30031 OH2 TIP3 3214 24.408 33.461 37.335 1.00 0.00 WT2 O ATOM 30032 H1 TIP3 3214 25.233 33.329 36.868 1.00 0.00 WT2 H ATOM 30033 H2 TIP3 3214 23.732 33.322 36.671 1.00 0.00 WT2 H ATOM 30034 OH2 TIP3 3215 26.295 83.321 47.791 1.00 0.00 WT2 O ATOM 30035 H1 TIP3 3215 25.976 83.596 46.932 1.00 0.00 WT2 H ATOM 30036 H2 TIP3 3215 25.832 83.885 48.411 1.00 0.00 WT2 H ATOM 30037 OH2 TIP3 3218 29.845 30.194 2.498 1.00 0.00 WT2 O ATOM 30038 H1 TIP3 3218 29.222 29.587 2.898 1.00 0.00 WT2 H ATOM 30039 H2 TIP3 3218 30.514 30.329 3.170 1.00 0.00 WT2 H ATOM 30040 OH2 TIP3 3220 53.408 53.007 44.479 1.00 0.00 WT2 O ATOM 30041 H1 TIP3 3220 53.855 53.273 43.675 1.00 0.00 WT2 H ATOM 30042 H2 TIP3 3220 53.722 52.118 44.645 1.00 0.00 WT2 H ATOM 30043 OH2 TIP3 3233 37.157 48.571 51.977 1.00 0.00 WT2 O ATOM 30044 H1 TIP3 3233 38.029 48.179 51.921 1.00 0.00 WT2 H ATOM 30045 H2 TIP3 3233 37.303 49.505 51.831 1.00 0.00 WT2 H ATOM 30046 OH2 TIP3 3234 79.782 90.182 -2.045 1.00 0.00 WT2 O ATOM 30047 H1 TIP3 3234 79.461 90.165 -1.143 1.00 0.00 WT2 H ATOM 30048 H2 TIP3 3234 79.000 90.052 -2.581 1.00 0.00 WT2 H ATOM 30049 OH2 TIP3 3236 25.416 29.890 17.730 1.00 0.00 WT2 O ATOM 30050 H1 TIP3 3236 26.190 30.236 18.173 1.00 0.00 WT2 H ATOM 30051 H2 TIP3 3236 25.146 30.590 17.136 1.00 0.00 WT2 H ATOM 30052 OH2 TIP3 3237 77.360 79.082 53.118 1.00 0.00 WT2 O ATOM 30053 H1 TIP3 3237 77.782 78.940 52.270 1.00 0.00 WT2 H ATOM 30054 H2 TIP3 3237 76.440 79.241 52.904 1.00 0.00 WT2 H ATOM 30055 OH2 TIP3 3238 27.522 30.088 19.257 1.00 0.00 WT2 O ATOM 30056 H1 TIP3 3238 27.323 29.203 19.565 1.00 0.00 WT2 H ATOM 30057 H2 TIP3 3238 27.932 30.517 20.008 1.00 0.00 WT2 H ATOM 30058 OH2 TIP3 3239 32.212 79.557 -2.339 1.00 0.00 WT2 O ATOM 30059 H1 TIP3 3239 32.555 78.672 -2.215 1.00 0.00 WT2 H ATOM 30060 H2 TIP3 3239 32.568 79.835 -3.183 1.00 0.00 WT2 H ATOM 30061 OH2 TIP3 3240 76.899 66.506 56.922 1.00 0.00 WT2 O ATOM 30062 H1 TIP3 3240 76.521 66.729 56.071 1.00 0.00 WT2 H ATOM 30063 H2 TIP3 3240 77.844 66.572 56.790 1.00 0.00 WT2 H ATOM 30064 OH2 TIP3 3241 66.955 0.980 30.266 1.00 0.00 WT2 O ATOM 30065 H1 TIP3 3241 67.886 0.764 30.307 1.00 0.00 WT2 H ATOM 30066 H2 TIP3 3241 66.667 0.644 29.418 1.00 0.00 WT2 H ATOM 30067 OH2 TIP3 3242 84.560 16.095 54.837 1.00 0.00 WT2 O ATOM 30068 H1 TIP3 3242 85.493 16.269 54.715 1.00 0.00 WT2 H ATOM 30069 H2 TIP3 3242 84.307 15.590 54.065 1.00 0.00 WT2 H ATOM 30070 OH2 TIP3 3243 72.342 39.038 19.684 1.00 0.00 WT2 O ATOM 30071 H1 TIP3 3243 71.561 38.670 20.097 1.00 0.00 WT2 H ATOM 30072 H2 TIP3 3243 72.114 39.106 18.757 1.00 0.00 WT2 H ATOM 30073 OH2 TIP3 3244 53.629 58.183 -4.764 1.00 0.00 WT2 O ATOM 30074 H1 TIP3 3244 54.337 58.800 -4.577 1.00 0.00 WT2 H ATOM 30075 H2 TIP3 3244 53.740 57.488 -4.116 1.00 0.00 WT2 H ATOM 30076 OH2 TIP3 3257 78.693 32.207 66.868 1.00 0.00 WT2 O ATOM 30077 H1 TIP3 3257 79.037 33.021 66.499 1.00 0.00 WT2 H ATOM 30078 H2 TIP3 3257 77.958 31.977 66.299 1.00 0.00 WT2 H ATOM 30079 OH2 TIP3 3258 61.077 53.946 64.775 1.00 0.00 WT2 O ATOM 30080 H1 TIP3 3258 60.829 54.726 64.279 1.00 0.00 WT2 H ATOM 30081 H2 TIP3 3258 60.549 53.992 65.573 1.00 0.00 WT2 H ATOM 30082 OH2 TIP3 3262 88.192 94.796 40.710 1.00 0.00 WT2 O ATOM 30083 H1 TIP3 3262 88.507 95.509 40.155 1.00 0.00 WT2 H ATOM 30084 H2 TIP3 3262 88.772 94.062 40.510 1.00 0.00 WT2 H ATOM 30085 OH2 TIP3 3274 31.167 18.337 -4.560 1.00 0.00 WT2 O ATOM 30086 H1 TIP3 3274 31.300 17.601 -5.158 1.00 0.00 WT2 H ATOM 30087 H2 TIP3 3274 31.842 18.226 -3.890 1.00 0.00 WT2 H ATOM 30088 OH2 TIP3 3275 88.793 36.281 43.643 1.00 0.00 WT2 O ATOM 30089 H1 TIP3 3275 89.525 35.897 44.126 1.00 0.00 WT2 H ATOM 30090 H2 TIP3 3275 89.204 36.888 43.027 1.00 0.00 WT2 H ATOM 30091 OH2 TIP3 3276 38.817 39.009 2.782 1.00 0.00 WT2 O ATOM 30092 H1 TIP3 3276 39.496 38.764 2.154 1.00 0.00 WT2 H ATOM 30093 H2 TIP3 3276 39.299 39.324 3.547 1.00 0.00 WT2 H ATOM 30094 OH2 TIP3 3277 30.200 41.792 62.863 1.00 0.00 WT2 O ATOM 30095 H1 TIP3 3277 30.910 41.686 62.230 1.00 0.00 WT2 H ATOM 30096 H2 TIP3 3277 30.583 42.317 63.566 1.00 0.00 WT2 H ATOM 30097 OH2 TIP3 3278 58.185 67.663 28.196 1.00 0.00 WT2 O ATOM 30098 H1 TIP3 3278 58.104 66.833 27.725 1.00 0.00 WT2 H ATOM 30099 H2 TIP3 3278 57.405 68.157 27.947 1.00 0.00 WT2 H ATOM 30100 OH2 TIP3 3279 51.997 38.847 64.197 1.00 0.00 WT2 O ATOM 30101 H1 TIP3 3279 51.868 39.718 64.573 1.00 0.00 WT2 H ATOM 30102 H2 TIP3 3279 52.246 39.013 63.288 1.00 0.00 WT2 H ATOM 30103 OH2 TIP3 3280 33.502 79.038 52.506 1.00 0.00 WT2 O ATOM 30104 H1 TIP3 3280 33.363 79.983 52.566 1.00 0.00 WT2 H ATOM 30105 H2 TIP3 3280 33.076 78.784 51.688 1.00 0.00 WT2 H ATOM 30106 OH2 TIP3 3282 32.746 2.139 44.770 1.00 0.00 WT2 O ATOM 30107 H1 TIP3 3282 33.054 1.273 44.503 1.00 0.00 WT2 H ATOM 30108 H2 TIP3 3282 32.273 2.471 44.007 1.00 0.00 WT2 H ATOM 30109 OH2 TIP3 3283 36.384 75.779 29.112 1.00 0.00 WT2 O ATOM 30110 H1 TIP3 3283 37.285 75.590 29.375 1.00 0.00 WT2 H ATOM 30111 H2 TIP3 3283 36.139 75.044 28.550 1.00 0.00 WT2 H ATOM 30112 OH2 TIP3 3284 71.510 43.095 -16.530 1.00 0.00 WT2 O ATOM 30113 H1 TIP3 3284 72.141 43.501 -17.125 1.00 0.00 WT2 H ATOM 30114 H2 TIP3 3284 71.394 43.736 -15.829 1.00 0.00 WT2 H ATOM 30115 OH2 TIP3 3296 76.425 59.848 48.927 1.00 0.00 WT2 O ATOM 30116 H1 TIP3 3296 76.288 60.249 49.786 1.00 0.00 WT2 H ATOM 30117 H2 TIP3 3296 75.543 59.674 48.600 1.00 0.00 WT2 H ATOM 30118 OH2 TIP3 3298 36.237 18.023 27.151 1.00 0.00 WT2 O ATOM 30119 H1 TIP3 3298 36.426 18.724 27.774 1.00 0.00 WT2 H ATOM 30120 H2 TIP3 3298 35.983 18.478 26.348 1.00 0.00 WT2 H ATOM 30121 OH2 TIP3 3301 80.190 8.037 6.952 1.00 0.00 WT2 O ATOM 30122 H1 TIP3 3301 79.521 8.672 7.208 1.00 0.00 WT2 H ATOM 30123 H2 TIP3 3301 80.891 8.567 6.572 1.00 0.00 WT2 H ATOM 30124 OH2 TIP3 3302 85.526 14.608 43.961 1.00 0.00 WT2 O ATOM 30125 H1 TIP3 3302 84.762 14.593 44.538 1.00 0.00 WT2 H ATOM 30126 H2 TIP3 3302 86.182 15.109 44.444 1.00 0.00 WT2 H ATOM 30127 OH2 TIP3 3303 37.729 85.511 48.388 1.00 0.00 WT2 O ATOM 30128 H1 TIP3 3303 36.874 85.567 48.814 1.00 0.00 WT2 H ATOM 30129 H2 TIP3 3303 37.634 84.802 47.751 1.00 0.00 WT2 H ATOM 30130 OH2 TIP3 3304 62.990 22.209 23.636 1.00 0.00 WT2 O ATOM 30131 H1 TIP3 3304 62.267 22.833 23.702 1.00 0.00 WT2 H ATOM 30132 H2 TIP3 3304 62.752 21.644 22.901 1.00 0.00 WT2 H ATOM 30133 OH2 TIP3 3308 45.075 84.076 -0.568 1.00 0.00 WT2 O ATOM 30134 H1 TIP3 3308 45.712 83.409 -0.823 1.00 0.00 WT2 H ATOM 30135 H2 TIP3 3308 45.596 84.868 -0.436 1.00 0.00 WT2 H ATOM 30136 OH2 TIP3 3317 33.395 83.890 8.347 1.00 0.00 WT2 O ATOM 30137 H1 TIP3 3317 33.551 82.963 8.525 1.00 0.00 WT2 H ATOM 30138 H2 TIP3 3317 32.495 83.925 8.025 1.00 0.00 WT2 H ATOM 30139 OH2 TIP3 3319 53.717 14.715 -10.434 1.00 0.00 WT2 O ATOM 30140 H1 TIP3 3319 53.204 14.162 -9.843 1.00 0.00 WT2 H ATOM 30141 H2 TIP3 3319 53.690 15.584 -10.033 1.00 0.00 WT2 H ATOM 30142 OH2 TIP3 3320 50.666 33.755 44.941 1.00 0.00 WT2 O ATOM 30143 H1 TIP3 3320 50.914 34.679 44.896 1.00 0.00 WT2 H ATOM 30144 H2 TIP3 3320 51.452 33.282 44.667 1.00 0.00 WT2 H ATOM 30145 OH2 TIP3 3321 48.304 30.724 -6.877 1.00 0.00 WT2 O ATOM 30146 H1 TIP3 3321 47.483 30.244 -6.984 1.00 0.00 WT2 H ATOM 30147 H2 TIP3 3321 48.569 30.549 -5.974 1.00 0.00 WT2 H ATOM 30148 OH2 TIP3 3322 29.730 19.828 35.467 1.00 0.00 WT2 O ATOM 30149 H1 TIP3 3322 29.336 20.514 34.928 1.00 0.00 WT2 H ATOM 30150 H2 TIP3 3322 30.564 19.636 35.040 1.00 0.00 WT2 H ATOM 30151 OH2 TIP3 3323 68.128 2.915 14.650 1.00 0.00 WT2 O ATOM 30152 H1 TIP3 3323 68.671 2.726 15.415 1.00 0.00 WT2 H ATOM 30153 H2 TIP3 3323 67.830 3.815 14.784 1.00 0.00 WT2 H ATOM 30154 OH2 TIP3 3326 70.937 47.821 -18.711 1.00 0.00 WT2 O ATOM 30155 H1 TIP3 3326 71.299 48.297 -19.458 1.00 0.00 WT2 H ATOM 30156 H2 TIP3 3326 70.491 48.492 -18.193 1.00 0.00 WT2 H ATOM 30157 OH2 TIP3 3337 83.456 18.896 54.305 1.00 0.00 WT2 O ATOM 30158 H1 TIP3 3337 83.229 18.513 53.458 1.00 0.00 WT2 H ATOM 30159 H2 TIP3 3337 83.597 18.143 54.879 1.00 0.00 WT2 H ATOM 30160 OH2 TIP3 3341 21.323 13.090 44.220 1.00 0.00 WT2 O ATOM 30161 H1 TIP3 3341 20.979 13.237 43.339 1.00 0.00 WT2 H ATOM 30162 H2 TIP3 3341 21.858 12.300 44.140 1.00 0.00 WT2 H ATOM 30163 OH2 TIP3 3342 38.884 52.950 61.194 1.00 0.00 WT2 O ATOM 30164 H1 TIP3 3342 38.027 52.710 60.841 1.00 0.00 WT2 H ATOM 30165 H2 TIP3 3342 39.045 52.312 61.889 1.00 0.00 WT2 H ATOM 30166 OH2 TIP3 3344 29.101 36.328 42.579 1.00 0.00 WT2 O ATOM 30167 H1 TIP3 3344 29.938 36.721 42.330 1.00 0.00 WT2 H ATOM 30168 H2 TIP3 3344 28.481 37.057 42.567 1.00 0.00 WT2 H ATOM 30169 OH2 TIP3 3345 67.804 63.697 44.848 1.00 0.00 WT2 O ATOM 30170 H1 TIP3 3345 68.390 64.333 44.439 1.00 0.00 WT2 H ATOM 30171 H2 TIP3 3345 66.950 63.868 44.451 1.00 0.00 WT2 H ATOM 30172 OH2 TIP3 3347 58.566 27.577 -7.095 1.00 0.00 WT2 O ATOM 30173 H1 TIP3 3347 58.427 27.693 -6.155 1.00 0.00 WT2 H ATOM 30174 H2 TIP3 3347 58.307 26.672 -7.266 1.00 0.00 WT2 H ATOM 30175 OH2 TIP3 3348 26.768 47.924 25.850 1.00 0.00 WT2 O ATOM 30176 H1 TIP3 3348 27.700 48.117 25.949 1.00 0.00 WT2 H ATOM 30177 H2 TIP3 3348 26.744 47.066 25.427 1.00 0.00 WT2 H ATOM 30178 OH2 TIP3 3349 88.735 16.421 59.764 1.00 0.00 WT2 O ATOM 30179 H1 TIP3 3349 89.282 16.835 60.431 1.00 0.00 WT2 H ATOM 30180 H2 TIP3 3349 88.016 16.024 60.256 1.00 0.00 WT2 H ATOM 30181 OH2 TIP3 3360 90.466 95.440 36.687 1.00 0.00 WT2 O ATOM 30182 H1 TIP3 3360 90.013 95.860 35.955 1.00 0.00 WT2 H ATOM 30183 H2 TIP3 3360 91.347 95.814 36.669 1.00 0.00 WT2 H ATOM 30184 OH2 TIP3 3361 67.149 91.800 29.059 1.00 0.00 WT2 O ATOM 30185 H1 TIP3 3361 66.722 90.944 29.095 1.00 0.00 WT2 H ATOM 30186 H2 TIP3 3361 66.674 92.277 28.378 1.00 0.00 WT2 H ATOM 30187 OH2 TIP3 3362 81.542 87.776 66.627 1.00 0.00 WT2 O ATOM 30188 H1 TIP3 3362 81.141 87.588 67.476 1.00 0.00 WT2 H ATOM 30189 H2 TIP3 3362 82.337 87.242 66.615 1.00 0.00 WT2 H ATOM 30190 OH2 TIP3 3363 58.643 36.898 3.676 1.00 0.00 WT2 O ATOM 30191 H1 TIP3 3363 58.559 36.525 4.554 1.00 0.00 WT2 H ATOM 30192 H2 TIP3 3363 58.039 37.640 3.672 1.00 0.00 WT2 H ATOM 30193 OH2 TIP3 3364 76.259 83.752 22.942 1.00 0.00 WT2 O ATOM 30194 H1 TIP3 3364 77.029 84.244 22.658 1.00 0.00 WT2 H ATOM 30195 H2 TIP3 3364 75.614 83.897 22.250 1.00 0.00 WT2 H ATOM 30196 OH2 TIP3 3366 25.021 51.169 26.576 1.00 0.00 WT2 O ATOM 30197 H1 TIP3 3366 24.808 50.286 26.877 1.00 0.00 WT2 H ATOM 30198 H2 TIP3 3366 25.795 51.055 26.025 1.00 0.00 WT2 H ATOM 30199 OH2 TIP3 3367 61.618 13.822 -19.687 1.00 0.00 WT2 O ATOM 30200 H1 TIP3 3367 61.598 13.325 -18.869 1.00 0.00 WT2 H ATOM 30201 H2 TIP3 3367 62.527 13.760 -19.982 1.00 0.00 WT2 H ATOM 30202 OH2 TIP3 3381 56.324 7.477 2.067 1.00 0.00 WT2 O ATOM 30203 H1 TIP3 3381 56.781 8.177 2.535 1.00 0.00 WT2 H ATOM 30204 H2 TIP3 3381 55.568 7.274 2.618 1.00 0.00 WT2 H ATOM 30205 OH2 TIP3 3382 25.823 83.511 20.463 1.00 0.00 WT2 O ATOM 30206 H1 TIP3 3382 26.438 83.190 21.122 1.00 0.00 WT2 H ATOM 30207 H2 TIP3 3382 25.549 82.726 19.989 1.00 0.00 WT2 H ATOM 30208 OH2 TIP3 3383 84.830 49.836 -10.824 1.00 0.00 WT2 O ATOM 30209 H1 TIP3 3383 84.527 48.952 -10.616 1.00 0.00 WT2 H ATOM 30210 H2 TIP3 3383 85.532 49.705 -11.462 1.00 0.00 WT2 H ATOM 30211 OH2 TIP3 3384 32.482 49.068 -11.013 1.00 0.00 WT2 O ATOM 30212 H1 TIP3 3384 32.468 49.836 -10.441 1.00 0.00 WT2 H ATOM 30213 H2 TIP3 3384 31.773 48.513 -10.686 1.00 0.00 WT2 H ATOM 30214 OH2 TIP3 3386 61.349 27.261 -0.912 1.00 0.00 WT2 O ATOM 30215 H1 TIP3 3386 62.237 27.076 -0.607 1.00 0.00 WT2 H ATOM 30216 H2 TIP3 3386 60.960 26.398 -1.055 1.00 0.00 WT2 H ATOM 30217 OH2 TIP3 3387 63.731 48.547 65.061 1.00 0.00 WT2 O ATOM 30218 H1 TIP3 3387 64.094 48.980 65.833 1.00 0.00 WT2 H ATOM 30219 H2 TIP3 3387 63.160 49.205 64.663 1.00 0.00 WT2 H ATOM 30220 OH2 TIP3 3388 89.776 4.596 -17.004 1.00 0.00 WT2 O ATOM 30221 H1 TIP3 3388 89.270 4.763 -17.800 1.00 0.00 WT2 H ATOM 30222 H2 TIP3 3388 89.292 5.049 -16.313 1.00 0.00 WT2 H ATOM 30223 OH2 TIP3 3389 30.966 60.357 -18.858 1.00 0.00 WT2 O ATOM 30224 H1 TIP3 3389 31.486 59.562 -18.741 1.00 0.00 WT2 H ATOM 30225 H2 TIP3 3389 30.255 60.095 -19.443 1.00 0.00 WT2 H ATOM 30226 OH2 TIP3 3402 30.309 60.575 47.350 1.00 0.00 WT2 O ATOM 30227 H1 TIP3 3402 30.025 60.446 46.445 1.00 0.00 WT2 H ATOM 30228 H2 TIP3 3402 31.195 60.215 47.377 1.00 0.00 WT2 H ATOM 30229 OH2 TIP3 3404 39.640 71.563 35.654 1.00 0.00 WT2 O ATOM 30230 H1 TIP3 3404 40.108 72.398 35.693 1.00 0.00 WT2 H ATOM 30231 H2 TIP3 3404 39.261 71.459 36.526 1.00 0.00 WT2 H ATOM 30232 OH2 TIP3 3405 58.848 72.957 -8.008 1.00 0.00 WT2 O ATOM 30233 H1 TIP3 3405 58.906 72.876 -7.056 1.00 0.00 WT2 H ATOM 30234 H2 TIP3 3405 57.925 72.795 -8.206 1.00 0.00 WT2 H ATOM 30235 OH2 TIP3 3406 30.302 63.534 -11.690 1.00 0.00 WT2 O ATOM 30236 H1 TIP3 3406 30.138 62.861 -11.029 1.00 0.00 WT2 H ATOM 30237 H2 TIP3 3406 29.433 63.769 -12.013 1.00 0.00 WT2 H ATOM 30238 OH2 TIP3 3407 76.945 36.269 54.297 1.00 0.00 WT2 O ATOM 30239 H1 TIP3 3407 76.794 37.192 54.502 1.00 0.00 WT2 H ATOM 30240 H2 TIP3 3407 77.451 35.938 55.039 1.00 0.00 WT2 H ATOM 30241 OH2 TIP3 3408 87.729 51.625 42.718 1.00 0.00 WT2 O ATOM 30242 H1 TIP3 3408 86.898 52.082 42.588 1.00 0.00 WT2 H ATOM 30243 H2 TIP3 3408 88.178 52.131 43.395 1.00 0.00 WT2 H ATOM 30244 OH2 TIP3 3409 59.975 55.252 52.605 1.00 0.00 WT2 O ATOM 30245 H1 TIP3 3409 60.259 54.401 52.270 1.00 0.00 WT2 H ATOM 30246 H2 TIP3 3409 59.061 55.324 52.330 1.00 0.00 WT2 H ATOM 30247 OH2 TIP3 3411 22.825 5.147 59.661 1.00 0.00 WT2 O ATOM 30248 H1 TIP3 3411 23.780 5.174 59.592 1.00 0.00 WT2 H ATOM 30249 H2 TIP3 3411 22.556 6.065 59.620 1.00 0.00 WT2 H ATOM 30250 OH2 TIP3 3422 81.051 47.119 -12.548 1.00 0.00 WT2 O ATOM 30251 H1 TIP3 3422 81.459 46.286 -12.785 1.00 0.00 WT2 H ATOM 30252 H2 TIP3 3422 81.631 47.784 -12.918 1.00 0.00 WT2 H ATOM 30253 OH2 TIP3 3424 47.896 38.830 -10.242 1.00 0.00 WT2 O ATOM 30254 H1 TIP3 3424 47.930 38.463 -9.358 1.00 0.00 WT2 H ATOM 30255 H2 TIP3 3424 47.637 38.094 -10.797 1.00 0.00 WT2 H ATOM 30256 OH2 TIP3 3426 76.803 4.261 56.094 1.00 0.00 WT2 O ATOM 30257 H1 TIP3 3426 77.428 4.568 56.751 1.00 0.00 WT2 H ATOM 30258 H2 TIP3 3426 77.300 4.251 55.277 1.00 0.00 WT2 H ATOM 30259 OH2 TIP3 3427 90.165 36.765 -2.286 1.00 0.00 WT2 O ATOM 30260 H1 TIP3 3427 90.701 37.557 -2.332 1.00 0.00 WT2 H ATOM 30261 H2 TIP3 3427 89.267 37.087 -2.213 1.00 0.00 WT2 H ATOM 30262 OH2 TIP3 3428 87.889 23.407 56.477 1.00 0.00 WT2 O ATOM 30263 H1 TIP3 3428 87.716 24.275 56.840 1.00 0.00 WT2 H ATOM 30264 H2 TIP3 3428 87.058 22.939 56.568 1.00 0.00 WT2 H ATOM 30265 OH2 TIP3 3429 87.313 92.507 -16.601 1.00 0.00 WT2 O ATOM 30266 H1 TIP3 3429 86.570 92.150 -17.087 1.00 0.00 WT2 H ATOM 30267 H2 TIP3 3429 87.713 91.746 -16.180 1.00 0.00 WT2 H ATOM 30268 OH2 TIP3 3430 36.083 55.108 39.498 1.00 0.00 WT2 O ATOM 30269 H1 TIP3 3430 36.304 55.611 40.282 1.00 0.00 WT2 H ATOM 30270 H2 TIP3 3430 36.439 55.624 38.774 1.00 0.00 WT2 H ATOM 30271 OH2 TIP3 3431 86.977 48.571 -0.119 1.00 0.00 WT2 O ATOM 30272 H1 TIP3 3431 86.424 48.046 0.459 1.00 0.00 WT2 H ATOM 30273 H2 TIP3 3431 86.761 49.477 0.098 1.00 0.00 WT2 H ATOM 30274 OH2 TIP3 3442 66.715 46.121 -9.144 1.00 0.00 WT2 O ATOM 30275 H1 TIP3 3442 66.698 47.058 -8.949 1.00 0.00 WT2 H ATOM 30276 H2 TIP3 3442 65.803 45.898 -9.330 1.00 0.00 WT2 H ATOM 30277 OH2 TIP3 3444 72.196 26.107 42.387 1.00 0.00 WT2 O ATOM 30278 H1 TIP3 3444 72.750 25.344 42.224 1.00 0.00 WT2 H ATOM 30279 H2 TIP3 3444 71.398 25.936 41.885 1.00 0.00 WT2 H ATOM 30280 OH2 TIP3 3446 38.311 17.213 -18.291 1.00 0.00 WT2 O ATOM 30281 H1 TIP3 3446 39.221 17.343 -18.558 1.00 0.00 WT2 H ATOM 30282 H2 TIP3 3446 38.153 17.895 -17.638 1.00 0.00 WT2 H ATOM 30283 OH2 TIP3 3447 88.781 4.057 41.405 1.00 0.00 WT2 O ATOM 30284 H1 TIP3 3447 89.001 3.426 42.090 1.00 0.00 WT2 H ATOM 30285 H2 TIP3 3447 88.054 3.653 40.930 1.00 0.00 WT2 H ATOM 30286 OH2 TIP3 3449 54.466 65.606 45.563 1.00 0.00 WT2 O ATOM 30287 H1 TIP3 3449 53.781 64.940 45.506 1.00 0.00 WT2 H ATOM 30288 H2 TIP3 3449 54.954 65.519 44.743 1.00 0.00 WT2 H ATOM 30289 OH2 TIP3 3450 32.364 49.664 -17.611 1.00 0.00 WT2 O ATOM 30290 H1 TIP3 3450 32.685 48.842 -17.982 1.00 0.00 WT2 H ATOM 30291 H2 TIP3 3450 33.152 50.190 -17.476 1.00 0.00 WT2 H ATOM 30292 OH2 TIP3 3465 37.984 33.143 58.576 1.00 0.00 WT2 O ATOM 30293 H1 TIP3 3465 37.958 34.044 58.897 1.00 0.00 WT2 H ATOM 30294 H2 TIP3 3465 38.161 32.616 59.355 1.00 0.00 WT2 H ATOM 30295 OH2 TIP3 3466 27.090 59.376 19.033 1.00 0.00 WT2 O ATOM 30296 H1 TIP3 3466 28.044 59.416 19.093 1.00 0.00 WT2 H ATOM 30297 H2 TIP3 3466 26.865 60.002 18.345 1.00 0.00 WT2 H ATOM 30298 OH2 TIP3 3467 74.252 10.080 46.953 1.00 0.00 WT2 O ATOM 30299 H1 TIP3 3467 75.012 10.061 47.535 1.00 0.00 WT2 H ATOM 30300 H2 TIP3 3467 73.864 9.209 47.037 1.00 0.00 WT2 H ATOM 30301 OH2 TIP3 3470 31.566 35.153 33.655 1.00 0.00 WT2 O ATOM 30302 H1 TIP3 3470 32.131 34.844 32.947 1.00 0.00 WT2 H ATOM 30303 H2 TIP3 3470 31.152 35.941 33.305 1.00 0.00 WT2 H ATOM 30304 OH2 TIP3 3471 36.720 94.728 44.633 1.00 0.00 WT2 O ATOM 30305 H1 TIP3 3471 36.823 94.203 43.839 1.00 0.00 WT2 H ATOM 30306 H2 TIP3 3471 37.607 95.018 44.846 1.00 0.00 WT2 H ATOM 30307 OH2 TIP3 3472 48.412 90.869 -3.325 1.00 0.00 WT2 O ATOM 30308 H1 TIP3 3472 48.294 90.490 -4.197 1.00 0.00 WT2 H ATOM 30309 H2 TIP3 3472 49.083 90.322 -2.916 1.00 0.00 WT2 H ATOM 30310 OH2 TIP3 3473 28.218 42.513 17.168 1.00 0.00 WT2 O ATOM 30311 H1 TIP3 3473 28.998 42.068 17.498 1.00 0.00 WT2 H ATOM 30312 H2 TIP3 3473 28.215 42.327 16.229 1.00 0.00 WT2 H ATOM 30313 OH2 TIP3 3484 72.173 71.315 61.011 1.00 0.00 WT2 O ATOM 30314 H1 TIP3 3484 72.459 70.468 60.669 1.00 0.00 WT2 H ATOM 30315 H2 TIP3 3484 72.636 71.406 61.844 1.00 0.00 WT2 H ATOM 30316 OH2 TIP3 3486 37.707 31.286 47.524 1.00 0.00 WT2 O ATOM 30317 H1 TIP3 3486 36.952 31.771 47.856 1.00 0.00 WT2 H ATOM 30318 H2 TIP3 3486 37.667 30.443 47.976 1.00 0.00 WT2 H ATOM 30319 OH2 TIP3 3488 34.730 54.764 28.685 1.00 0.00 WT2 O ATOM 30320 H1 TIP3 3488 34.693 55.065 27.777 1.00 0.00 WT2 H ATOM 30321 H2 TIP3 3488 34.825 55.566 29.200 1.00 0.00 WT2 H ATOM 30322 OH2 TIP3 3489 61.628 58.125 -17.053 1.00 0.00 WT2 O ATOM 30323 H1 TIP3 3489 62.245 58.648 -16.542 1.00 0.00 WT2 H ATOM 30324 H2 TIP3 3489 61.071 57.704 -16.398 1.00 0.00 WT2 H ATOM 30325 OH2 TIP3 3490 30.119 76.258 -9.927 1.00 0.00 WT2 O ATOM 30326 H1 TIP3 3490 29.890 76.257 -8.997 1.00 0.00 WT2 H ATOM 30327 H2 TIP3 3490 30.157 75.332 -10.166 1.00 0.00 WT2 H ATOM 30328 OH2 TIP3 3494 38.437 34.931 48.352 1.00 0.00 WT2 O ATOM 30329 H1 TIP3 3494 37.970 35.741 48.556 1.00 0.00 WT2 H ATOM 30330 H2 TIP3 3494 37.746 34.279 48.234 1.00 0.00 WT2 H ATOM 30331 OH2 TIP3 3495 64.176 23.995 -17.803 1.00 0.00 WT2 O ATOM 30332 H1 TIP3 3495 65.016 24.183 -18.221 1.00 0.00 WT2 H ATOM 30333 H2 TIP3 3495 63.888 24.838 -17.454 1.00 0.00 WT2 H ATOM 30334 OH2 TIP3 3508 33.286 56.822 34.313 1.00 0.00 WT2 O ATOM 30335 H1 TIP3 3508 33.477 57.394 33.570 1.00 0.00 WT2 H ATOM 30336 H2 TIP3 3508 33.897 56.092 34.218 1.00 0.00 WT2 H ATOM 30337 OH2 TIP3 3510 54.478 44.466 52.232 1.00 0.00 WT2 O ATOM 30338 H1 TIP3 3510 55.117 44.789 52.867 1.00 0.00 WT2 H ATOM 30339 H2 TIP3 3510 53.813 45.153 52.189 1.00 0.00 WT2 H ATOM 30340 OH2 TIP3 3511 27.548 69.087 26.686 1.00 0.00 WT2 O ATOM 30341 H1 TIP3 3511 26.788 69.384 27.185 1.00 0.00 WT2 H ATOM 30342 H2 TIP3 3511 28.229 68.948 27.344 1.00 0.00 WT2 H ATOM 30343 OH2 TIP3 3512 87.839 45.026 59.947 1.00 0.00 WT2 O ATOM 30344 H1 TIP3 3512 87.561 45.831 59.511 1.00 0.00 WT2 H ATOM 30345 H2 TIP3 3512 87.182 44.881 60.628 1.00 0.00 WT2 H ATOM 30346 OH2 TIP3 3513 26.375 8.575 -16.200 1.00 0.00 WT2 O ATOM 30347 H1 TIP3 3513 26.798 8.879 -17.003 1.00 0.00 WT2 H ATOM 30348 H2 TIP3 3513 25.461 8.436 -16.449 1.00 0.00 WT2 H ATOM 30349 OH2 TIP3 3514 52.459 81.187 19.699 1.00 0.00 WT2 O ATOM 30350 H1 TIP3 3514 51.654 81.450 20.144 1.00 0.00 WT2 H ATOM 30351 H2 TIP3 3514 52.396 81.586 18.832 1.00 0.00 WT2 H ATOM 30352 OH2 TIP3 3516 56.535 41.385 64.703 1.00 0.00 WT2 O ATOM 30353 H1 TIP3 3516 56.754 41.546 65.620 1.00 0.00 WT2 H ATOM 30354 H2 TIP3 3516 55.684 41.807 64.582 1.00 0.00 WT2 H ATOM 30355 OH2 TIP3 3526 52.925 32.454 -9.331 1.00 0.00 WT2 O ATOM 30356 H1 TIP3 3526 53.859 32.463 -9.120 1.00 0.00 WT2 H ATOM 30357 H2 TIP3 3526 52.597 31.648 -8.932 1.00 0.00 WT2 H ATOM 30358 OH2 TIP3 3527 70.540 93.275 50.064 1.00 0.00 WT2 O ATOM 30359 H1 TIP3 3527 70.229 92.521 49.563 1.00 0.00 WT2 H ATOM 30360 H2 TIP3 3527 71.303 92.949 50.540 1.00 0.00 WT2 H ATOM 30361 OH2 TIP3 3530 35.965 2.814 -7.566 1.00 0.00 WT2 O ATOM 30362 H1 TIP3 3530 36.162 2.023 -7.066 1.00 0.00 WT2 H ATOM 30363 H2 TIP3 3530 35.780 2.499 -8.451 1.00 0.00 WT2 H ATOM 30364 OH2 TIP3 3531 28.985 23.927 3.179 1.00 0.00 WT2 O ATOM 30365 H1 TIP3 3531 28.279 24.407 3.612 1.00 0.00 WT2 H ATOM 30366 H2 TIP3 3531 29.631 24.598 2.958 1.00 0.00 WT2 H ATOM 30367 OH2 TIP3 3533 48.553 71.902 59.164 1.00 0.00 WT2 O ATOM 30368 H1 TIP3 3533 47.905 71.295 58.807 1.00 0.00 WT2 H ATOM 30369 H2 TIP3 3533 49.375 71.412 59.148 1.00 0.00 WT2 H ATOM 30370 OH2 TIP3 3534 59.780 0.714 5.803 1.00 0.00 WT2 O ATOM 30371 H1 TIP3 3534 59.373 1.571 5.678 1.00 0.00 WT2 H ATOM 30372 H2 TIP3 3534 60.707 0.907 5.946 1.00 0.00 WT2 H ATOM 30373 OH2 TIP3 3535 22.814 58.755 61.032 1.00 0.00 WT2 O ATOM 30374 H1 TIP3 3535 23.652 59.211 61.107 1.00 0.00 WT2 H ATOM 30375 H2 TIP3 3535 22.285 59.106 61.749 1.00 0.00 WT2 H ATOM 30376 OH2 TIP3 3536 52.337 74.622 43.157 1.00 0.00 WT2 O ATOM 30377 H1 TIP3 3536 51.487 74.183 43.142 1.00 0.00 WT2 H ATOM 30378 H2 TIP3 3536 52.207 75.416 42.638 1.00 0.00 WT2 H ATOM 30379 OH2 TIP3 3545 88.240 48.921 -2.719 1.00 0.00 WT2 O ATOM 30380 H1 TIP3 3545 87.947 48.069 -3.041 1.00 0.00 WT2 H ATOM 30381 H2 TIP3 3545 87.861 48.990 -1.843 1.00 0.00 WT2 H ATOM 30382 OH2 TIP3 3548 56.300 75.702 53.787 1.00 0.00 WT2 O ATOM 30383 H1 TIP3 3548 55.378 75.472 53.673 1.00 0.00 WT2 H ATOM 30384 H2 TIP3 3548 56.563 76.066 52.942 1.00 0.00 WT2 H ATOM 30385 OH2 TIP3 3549 77.917 79.776 4.971 1.00 0.00 WT2 O ATOM 30386 H1 TIP3 3549 77.696 79.862 5.898 1.00 0.00 WT2 H ATOM 30387 H2 TIP3 3549 77.081 79.874 4.515 1.00 0.00 WT2 H ATOM 30388 OH2 TIP3 3550 46.449 30.381 63.698 1.00 0.00 WT2 O ATOM 30389 H1 TIP3 3550 46.024 29.947 62.958 1.00 0.00 WT2 H ATOM 30390 H2 TIP3 3550 45.733 30.808 64.168 1.00 0.00 WT2 H ATOM 30391 OH2 TIP3 3551 39.270 90.916 55.326 1.00 0.00 WT2 O ATOM 30392 H1 TIP3 3551 39.663 90.792 56.190 1.00 0.00 WT2 H ATOM 30393 H2 TIP3 3551 38.815 90.093 55.149 1.00 0.00 WT2 H ATOM 30394 OH2 TIP3 3554 90.733 34.898 -0.402 1.00 0.00 WT2 O ATOM 30395 H1 TIP3 3554 90.558 35.413 -1.189 1.00 0.00 WT2 H ATOM 30396 H2 TIP3 3554 89.895 34.483 -0.196 1.00 0.00 WT2 H ATOM 30397 OH2 TIP3 3555 63.700 78.307 13.349 1.00 0.00 WT2 O ATOM 30398 H1 TIP3 3555 63.094 77.862 12.755 1.00 0.00 WT2 H ATOM 30399 H2 TIP3 3555 63.309 78.198 14.216 1.00 0.00 WT2 H ATOM 30400 OH2 TIP3 3559 59.771 91.181 15.025 1.00 0.00 WT2 O ATOM 30401 H1 TIP3 3559 60.275 90.564 14.494 1.00 0.00 WT2 H ATOM 30402 H2 TIP3 3559 60.220 91.193 15.870 1.00 0.00 WT2 H ATOM 30403 OH2 TIP3 3569 36.905 35.289 43.856 1.00 0.00 WT2 O ATOM 30404 H1 TIP3 3569 36.985 36.112 43.373 1.00 0.00 WT2 H ATOM 30405 H2 TIP3 3569 37.712 35.232 44.367 1.00 0.00 WT2 H ATOM 30406 OH2 TIP3 3570 34.126 68.208 32.522 1.00 0.00 WT2 O ATOM 30407 H1 TIP3 3570 34.126 67.862 33.414 1.00 0.00 WT2 H ATOM 30408 H2 TIP3 3570 34.948 68.694 32.452 1.00 0.00 WT2 H ATOM 30409 OH2 TIP3 3572 75.650 94.718 46.307 1.00 0.00 WT2 O ATOM 30410 H1 TIP3 3572 74.992 94.129 45.938 1.00 0.00 WT2 H ATOM 30411 H2 TIP3 3572 75.154 95.487 46.589 1.00 0.00 WT2 H ATOM 30412 OH2 TIP3 3573 25.811 48.786 46.909 1.00 0.00 WT2 O ATOM 30413 H1 TIP3 3573 25.823 48.068 47.542 1.00 0.00 WT2 H ATOM 30414 H2 TIP3 3573 25.658 49.569 47.438 1.00 0.00 WT2 H ATOM 30415 OH2 TIP3 3574 82.375 36.800 51.079 1.00 0.00 WT2 O ATOM 30416 H1 TIP3 3574 82.515 37.052 51.992 1.00 0.00 WT2 H ATOM 30417 H2 TIP3 3574 82.639 37.569 50.574 1.00 0.00 WT2 H ATOM 30418 OH2 TIP3 3575 30.121 21.772 63.694 1.00 0.00 WT2 O ATOM 30419 H1 TIP3 3575 30.828 22.258 64.119 1.00 0.00 WT2 H ATOM 30420 H2 TIP3 3575 30.508 21.448 62.881 1.00 0.00 WT2 H ATOM 30421 OH2 TIP3 3591 70.280 16.637 -10.747 1.00 0.00 WT2 O ATOM 30422 H1 TIP3 3591 70.081 15.701 -10.717 1.00 0.00 WT2 H ATOM 30423 H2 TIP3 3591 70.803 16.746 -11.541 1.00 0.00 WT2 H ATOM 30424 OH2 TIP3 3593 31.044 26.373 37.740 1.00 0.00 WT2 O ATOM 30425 H1 TIP3 3593 30.532 26.496 36.941 1.00 0.00 WT2 H ATOM 30426 H2 TIP3 3593 30.545 26.830 38.417 1.00 0.00 WT2 H ATOM 30427 OH2 TIP3 3594 32.951 54.428 14.889 1.00 0.00 WT2 O ATOM 30428 H1 TIP3 3594 33.281 54.217 14.015 1.00 0.00 WT2 H ATOM 30429 H2 TIP3 3594 33.733 54.655 15.392 1.00 0.00 WT2 H ATOM 30430 OH2 TIP3 3595 28.573 36.278 -10.308 1.00 0.00 WT2 O ATOM 30431 H1 TIP3 3595 27.925 36.643 -10.911 1.00 0.00 WT2 H ATOM 30432 H2 TIP3 3595 28.289 36.573 -9.443 1.00 0.00 WT2 H ATOM 30433 OH2 TIP3 3596 83.017 30.958 22.768 1.00 0.00 WT2 O ATOM 30434 H1 TIP3 3596 83.541 31.479 23.377 1.00 0.00 WT2 H ATOM 30435 H2 TIP3 3596 82.541 30.343 23.326 1.00 0.00 WT2 H ATOM 30436 OH2 TIP3 3597 55.104 4.676 42.820 1.00 0.00 WT2 O ATOM 30437 H1 TIP3 3597 55.220 5.607 42.634 1.00 0.00 WT2 H ATOM 30438 H2 TIP3 3597 55.994 4.334 42.899 1.00 0.00 WT2 H ATOM 30439 OH2 TIP3 3599 41.761 53.695 14.092 1.00 0.00 WT2 O ATOM 30440 H1 TIP3 3599 42.518 53.378 14.586 1.00 0.00 WT2 H ATOM 30441 H2 TIP3 3599 41.347 54.334 14.672 1.00 0.00 WT2 H ATOM 30442 OH2 TIP3 3612 72.523 19.411 61.799 1.00 0.00 WT2 O ATOM 30443 H1 TIP3 3612 72.977 19.418 62.642 1.00 0.00 WT2 H ATOM 30444 H2 TIP3 3612 71.997 18.612 61.816 1.00 0.00 WT2 H ATOM 30445 OH2 TIP3 3614 44.046 44.289 -19.068 1.00 0.00 WT2 O ATOM 30446 H1 TIP3 3614 44.188 45.235 -19.025 1.00 0.00 WT2 H ATOM 30447 H2 TIP3 3614 44.726 43.918 -18.506 1.00 0.00 WT2 H ATOM 30448 OH2 TIP3 3615 67.356 91.891 61.298 1.00 0.00 WT2 O ATOM 30449 H1 TIP3 3615 67.027 91.009 61.471 1.00 0.00 WT2 H ATOM 30450 H2 TIP3 3615 66.630 92.336 60.860 1.00 0.00 WT2 H ATOM 30451 OH2 TIP3 3619 49.379 93.147 40.301 1.00 0.00 WT2 O ATOM 30452 H1 TIP3 3619 49.153 92.802 39.438 1.00 0.00 WT2 H ATOM 30453 H2 TIP3 3619 49.734 92.394 40.775 1.00 0.00 WT2 H ATOM 30454 OH2 TIP3 3623 50.412 71.681 3.506 1.00 0.00 WT2 O ATOM 30455 H1 TIP3 3623 51.241 71.686 3.028 1.00 0.00 WT2 H ATOM 30456 H2 TIP3 3623 50.468 70.915 4.077 1.00 0.00 WT2 H ATOM 30457 OH2 TIP3 3633 62.408 24.278 54.606 1.00 0.00 WT2 O ATOM 30458 H1 TIP3 3633 61.745 23.804 55.108 1.00 0.00 WT2 H ATOM 30459 H2 TIP3 3633 61.928 24.651 53.867 1.00 0.00 WT2 H ATOM 30460 OH2 TIP3 3634 49.561 4.913 60.003 1.00 0.00 WT2 O ATOM 30461 H1 TIP3 3634 50.005 4.402 59.326 1.00 0.00 WT2 H ATOM 30462 H2 TIP3 3634 49.061 4.268 60.502 1.00 0.00 WT2 H ATOM 30463 OH2 TIP3 3636 62.266 38.618 25.447 1.00 0.00 WT2 O ATOM 30464 H1 TIP3 3636 63.184 38.391 25.597 1.00 0.00 WT2 H ATOM 30465 H2 TIP3 3636 62.104 38.373 24.536 1.00 0.00 WT2 H ATOM 30466 OH2 TIP3 3638 54.949 53.667 64.648 1.00 0.00 WT2 O ATOM 30467 H1 TIP3 3638 55.808 54.071 64.775 1.00 0.00 WT2 H ATOM 30468 H2 TIP3 3638 54.399 54.053 65.330 1.00 0.00 WT2 H ATOM 30469 OH2 TIP3 3639 49.614 18.837 41.059 1.00 0.00 WT2 O ATOM 30470 H1 TIP3 3639 49.568 19.556 41.689 1.00 0.00 WT2 H ATOM 30471 H2 TIP3 3639 49.065 19.121 40.329 1.00 0.00 WT2 H ATOM 30472 OH2 TIP3 3641 49.702 80.809 4.105 1.00 0.00 WT2 O ATOM 30473 H1 TIP3 3641 50.180 80.816 4.934 1.00 0.00 WT2 H ATOM 30474 H2 TIP3 3641 49.243 81.649 4.085 1.00 0.00 WT2 H ATOM 30475 OH2 TIP3 3650 77.273 2.258 43.480 1.00 0.00 WT2 O ATOM 30476 H1 TIP3 3650 77.141 3.151 43.162 1.00 0.00 WT2 H ATOM 30477 H2 TIP3 3650 77.535 2.365 44.395 1.00 0.00 WT2 H ATOM 30478 OH2 TIP3 3651 56.403 6.428 -13.011 1.00 0.00 WT2 O ATOM 30479 H1 TIP3 3651 57.202 6.952 -13.066 1.00 0.00 WT2 H ATOM 30480 H2 TIP3 3651 56.662 5.644 -12.527 1.00 0.00 WT2 H ATOM 30481 OH2 TIP3 3653 72.770 93.290 -16.609 1.00 0.00 WT2 O ATOM 30482 H1 TIP3 3653 72.696 94.067 -16.054 1.00 0.00 WT2 H ATOM 30483 H2 TIP3 3653 73.423 92.744 -16.172 1.00 0.00 WT2 H ATOM 30484 OH2 TIP3 3659 77.525 41.237 60.623 1.00 0.00 WT2 O ATOM 30485 H1 TIP3 3659 77.451 41.530 59.714 1.00 0.00 WT2 H ATOM 30486 H2 TIP3 3659 78.089 40.465 60.581 1.00 0.00 WT2 H ATOM 30487 OH2 TIP3 3660 24.051 86.122 -18.315 1.00 0.00 WT2 O ATOM 30488 H1 TIP3 3660 24.861 85.949 -17.835 1.00 0.00 WT2 H ATOM 30489 H2 TIP3 3660 23.636 85.264 -18.403 1.00 0.00 WT2 H ATOM 30490 OH2 TIP3 3661 71.640 32.112 -8.111 1.00 0.00 WT2 O ATOM 30491 H1 TIP3 3661 71.839 31.332 -7.593 1.00 0.00 WT2 H ATOM 30492 H2 TIP3 3661 71.011 31.810 -8.767 1.00 0.00 WT2 H ATOM 30493 OH2 TIP3 3662 70.842 79.215 25.612 1.00 0.00 WT2 O ATOM 30494 H1 TIP3 3662 70.510 79.461 24.749 1.00 0.00 WT2 H ATOM 30495 H2 TIP3 3662 70.620 78.289 25.701 1.00 0.00 WT2 H ATOM 30496 OH2 TIP3 3674 54.430 92.713 23.134 1.00 0.00 WT2 O ATOM 30497 H1 TIP3 3674 54.053 92.710 24.014 1.00 0.00 WT2 H ATOM 30498 H2 TIP3 3674 53.786 92.256 22.595 1.00 0.00 WT2 H ATOM 30499 OH2 TIP3 3675 75.423 34.612 52.666 1.00 0.00 WT2 O ATOM 30500 H1 TIP3 3675 76.131 34.337 52.083 1.00 0.00 WT2 H ATOM 30501 H2 TIP3 3675 75.794 35.337 53.168 1.00 0.00 WT2 H ATOM 30502 OH2 TIP3 3677 74.554 38.851 44.219 1.00 0.00 WT2 O ATOM 30503 H1 TIP3 3677 74.404 39.686 43.777 1.00 0.00 WT2 H ATOM 30504 H2 TIP3 3677 74.784 38.245 43.515 1.00 0.00 WT2 H ATOM 30505 OH2 TIP3 3681 71.467 35.073 -5.963 1.00 0.00 WT2 O ATOM 30506 H1 TIP3 3681 70.725 35.070 -6.569 1.00 0.00 WT2 H ATOM 30507 H2 TIP3 3681 71.393 35.907 -5.498 1.00 0.00 WT2 H ATOM 30508 OH2 TIP3 3693 56.839 9.837 18.514 1.00 0.00 WT2 O ATOM 30509 H1 TIP3 3693 57.391 10.609 18.639 1.00 0.00 WT2 H ATOM 30510 H2 TIP3 3693 56.481 9.655 19.383 1.00 0.00 WT2 H ATOM 30511 OH2 TIP3 3697 26.630 31.254 48.762 1.00 0.00 WT2 O ATOM 30512 H1 TIP3 3697 26.539 30.321 48.958 1.00 0.00 WT2 H ATOM 30513 H2 TIP3 3697 25.916 31.670 49.245 1.00 0.00 WT2 H ATOM 30514 OH2 TIP3 3698 69.580 55.700 16.557 1.00 0.00 WT2 O ATOM 30515 H1 TIP3 3698 69.206 56.573 16.442 1.00 0.00 WT2 H ATOM 30516 H2 TIP3 3698 69.064 55.139 15.979 1.00 0.00 WT2 H ATOM 30517 OH2 TIP3 3700 47.188 18.022 -3.266 1.00 0.00 WT2 O ATOM 30518 H1 TIP3 3700 46.999 18.956 -3.169 1.00 0.00 WT2 H ATOM 30519 H2 TIP3 3700 48.102 17.933 -2.999 1.00 0.00 WT2 H ATOM 30520 OH2 TIP3 3701 60.309 37.182 55.719 1.00 0.00 WT2 O ATOM 30521 H1 TIP3 3701 60.522 38.111 55.811 1.00 0.00 WT2 H ATOM 30522 H2 TIP3 3701 60.149 37.065 54.783 1.00 0.00 WT2 H ATOM 30523 OH2 TIP3 3702 43.819 44.218 47.559 1.00 0.00 WT2 O ATOM 30524 H1 TIP3 3702 43.969 44.157 46.616 1.00 0.00 WT2 H ATOM 30525 H2 TIP3 3702 44.696 44.214 47.943 1.00 0.00 WT2 H ATOM 30526 OH2 TIP3 3703 30.985 35.971 48.316 1.00 0.00 WT2 O ATOM 30527 H1 TIP3 3703 31.644 35.387 47.940 1.00 0.00 WT2 H ATOM 30528 H2 TIP3 3703 30.149 35.608 48.025 1.00 0.00 WT2 H ATOM 30529 OH2 TIP3 3705 37.092 92.418 58.415 1.00 0.00 WT2 O ATOM 30530 H1 TIP3 3705 38.039 92.300 58.342 1.00 0.00 WT2 H ATOM 30531 H2 TIP3 3705 36.943 92.596 59.344 1.00 0.00 WT2 H ATOM 30532 OH2 TIP3 3708 36.517 90.371 -9.641 1.00 0.00 WT2 O ATOM 30533 H1 TIP3 3708 35.735 90.887 -9.834 1.00 0.00 WT2 H ATOM 30534 H2 TIP3 3708 37.057 90.450 -10.427 1.00 0.00 WT2 H ATOM 30535 OH2 TIP3 3718 60.469 15.734 -7.684 1.00 0.00 WT2 O ATOM 30536 H1 TIP3 3718 59.538 15.812 -7.892 1.00 0.00 WT2 H ATOM 30537 H2 TIP3 3718 60.522 14.981 -7.095 1.00 0.00 WT2 H ATOM 30538 OH2 TIP3 3719 37.393 4.187 -18.946 1.00 0.00 WT2 O ATOM 30539 H1 TIP3 3719 36.816 4.247 -19.708 1.00 0.00 WT2 H ATOM 30540 H2 TIP3 3719 38.161 4.706 -19.186 1.00 0.00 WT2 H ATOM 30541 OH2 TIP3 3720 77.081 49.490 -8.604 1.00 0.00 WT2 O ATOM 30542 H1 TIP3 3720 76.205 49.104 -8.628 1.00 0.00 WT2 H ATOM 30543 H2 TIP3 3720 77.257 49.629 -7.674 1.00 0.00 WT2 H ATOM 30544 OH2 TIP3 3721 53.612 14.154 60.361 1.00 0.00 WT2 O ATOM 30545 H1 TIP3 3721 54.203 13.612 59.839 1.00 0.00 WT2 H ATOM 30546 H2 TIP3 3721 52.848 14.286 59.800 1.00 0.00 WT2 H ATOM 30547 OH2 TIP3 3722 34.719 74.381 65.209 1.00 0.00 WT2 O ATOM 30548 H1 TIP3 3722 34.739 75.250 64.809 1.00 0.00 WT2 H ATOM 30549 H2 TIP3 3722 33.866 74.022 64.964 1.00 0.00 WT2 H ATOM 30550 OH2 TIP3 3723 59.614 82.379 -19.319 1.00 0.00 WT2 O ATOM 30551 H1 TIP3 3723 59.773 81.443 -19.442 1.00 0.00 WT2 H ATOM 30552 H2 TIP3 3723 60.474 82.743 -19.109 1.00 0.00 WT2 H ATOM 30553 OH2 TIP3 3727 27.922 68.999 -9.907 1.00 0.00 WT2 O ATOM 30554 H1 TIP3 3727 28.644 68.455 -10.222 1.00 0.00 WT2 H ATOM 30555 H2 TIP3 3727 27.649 68.584 -9.088 1.00 0.00 WT2 H ATOM 30556 OH2 TIP3 3737 87.496 8.740 -6.376 1.00 0.00 WT2 O ATOM 30557 H1 TIP3 3737 86.996 8.773 -7.192 1.00 0.00 WT2 H ATOM 30558 H2 TIP3 3737 88.133 9.449 -6.455 1.00 0.00 WT2 H ATOM 30559 OH2 TIP3 3740 35.838 42.311 33.880 1.00 0.00 WT2 O ATOM 30560 H1 TIP3 3740 36.666 41.950 34.197 1.00 0.00 WT2 H ATOM 30561 H2 TIP3 3740 36.006 42.526 32.962 1.00 0.00 WT2 H ATOM 30562 OH2 TIP3 3743 90.009 40.089 28.209 1.00 0.00 WT2 O ATOM 30563 H1 TIP3 3743 89.774 40.097 27.281 1.00 0.00 WT2 H ATOM 30564 H2 TIP3 3743 90.131 41.011 28.434 1.00 0.00 WT2 H ATOM 30565 OH2 TIP3 3757 22.793 16.609 50.347 1.00 0.00 WT2 O ATOM 30566 H1 TIP3 3757 22.937 17.141 49.564 1.00 0.00 WT2 H ATOM 30567 H2 TIP3 3757 23.587 16.081 50.428 1.00 0.00 WT2 H ATOM 30568 OH2 TIP3 3758 87.034 16.785 42.654 1.00 0.00 WT2 O ATOM 30569 H1 TIP3 3758 86.332 16.141 42.745 1.00 0.00 WT2 H ATOM 30570 H2 TIP3 3758 87.834 16.297 42.845 1.00 0.00 WT2 H ATOM 30571 OH2 TIP3 3761 74.948 41.117 -9.450 1.00 0.00 WT2 O ATOM 30572 H1 TIP3 3761 74.896 41.974 -9.874 1.00 0.00 WT2 H ATOM 30573 H2 TIP3 3761 74.293 41.153 -8.754 1.00 0.00 WT2 H ATOM 30574 OH2 TIP3 3762 90.676 55.042 58.405 1.00 0.00 WT2 O ATOM 30575 H1 TIP3 3762 90.493 55.883 57.985 1.00 0.00 WT2 H ATOM 30576 H2 TIP3 3762 90.071 55.007 59.146 1.00 0.00 WT2 H ATOM 30577 OH2 TIP3 3763 36.373 36.637 28.328 1.00 0.00 WT2 O ATOM 30578 H1 TIP3 3763 37.063 36.131 27.899 1.00 0.00 WT2 H ATOM 30579 H2 TIP3 3763 36.367 37.475 27.865 1.00 0.00 WT2 H ATOM 30580 OH2 TIP3 3764 45.922 43.151 -17.336 1.00 0.00 WT2 O ATOM 30581 H1 TIP3 3764 45.396 43.093 -16.539 1.00 0.00 WT2 H ATOM 30582 H2 TIP3 3764 46.794 43.402 -17.031 1.00 0.00 WT2 H ATOM 30583 OH2 TIP3 3765 68.773 51.910 -13.929 1.00 0.00 WT2 O ATOM 30584 H1 TIP3 3765 68.809 50.971 -13.749 1.00 0.00 WT2 H ATOM 30585 H2 TIP3 3765 67.986 52.212 -13.476 1.00 0.00 WT2 H ATOM 30586 OH2 TIP3 3770 50.284 27.505 65.961 1.00 0.00 WT2 O ATOM 30587 H1 TIP3 3770 49.531 27.289 65.411 1.00 0.00 WT2 H ATOM 30588 H2 TIP3 3770 50.493 28.412 65.735 1.00 0.00 WT2 H ATOM 30589 OH2 TIP3 3776 64.953 56.630 33.270 1.00 0.00 WT2 O ATOM 30590 H1 TIP3 3776 65.071 57.264 32.563 1.00 0.00 WT2 H ATOM 30591 H2 TIP3 3776 64.163 56.921 33.725 1.00 0.00 WT2 H ATOM 30592 OH2 TIP3 3779 31.222 37.321 66.717 1.00 0.00 WT2 O ATOM 30593 H1 TIP3 3779 31.883 36.970 66.120 1.00 0.00 WT2 H ATOM 30594 H2 TIP3 3779 31.564 38.176 66.978 1.00 0.00 WT2 H ATOM 30595 OH2 TIP3 3783 39.365 16.542 20.861 1.00 0.00 WT2 O ATOM 30596 H1 TIP3 3783 40.295 16.513 21.085 1.00 0.00 WT2 H ATOM 30597 H2 TIP3 3783 39.297 16.038 20.050 1.00 0.00 WT2 H ATOM 30598 OH2 TIP3 3784 21.211 53.995 15.591 1.00 0.00 WT2 O ATOM 30599 H1 TIP3 3784 21.885 53.325 15.704 1.00 0.00 WT2 H ATOM 30600 H2 TIP3 3784 21.362 54.341 14.712 1.00 0.00 WT2 H ATOM 30601 OH2 TIP3 3785 85.186 7.207 51.449 1.00 0.00 WT2 O ATOM 30602 H1 TIP3 3785 85.671 8.012 51.269 1.00 0.00 WT2 H ATOM 30603 H2 TIP3 3785 85.010 6.835 50.585 1.00 0.00 WT2 H ATOM 30604 OH2 TIP3 3786 50.643 85.598 -17.569 1.00 0.00 WT2 O ATOM 30605 H1 TIP3 3786 49.841 85.082 -17.658 1.00 0.00 WT2 H ATOM 30606 H2 TIP3 3786 51.035 85.292 -16.751 1.00 0.00 WT2 H ATOM 30607 OH2 TIP3 3798 37.142 37.123 41.965 1.00 0.00 WT2 O ATOM 30608 H1 TIP3 3798 36.633 36.534 41.408 1.00 0.00 WT2 H ATOM 30609 H2 TIP3 3798 36.729 37.979 41.848 1.00 0.00 WT2 H ATOM 30610 OH2 TIP3 3800 42.985 55.889 -3.121 1.00 0.00 WT2 O ATOM 30611 H1 TIP3 3800 42.713 54.978 -3.233 1.00 0.00 WT2 H ATOM 30612 H2 TIP3 3800 43.097 55.993 -2.176 1.00 0.00 WT2 H ATOM 30613 OH2 TIP3 3801 45.169 35.438 46.056 1.00 0.00 WT2 O ATOM 30614 H1 TIP3 3801 45.003 35.182 45.148 1.00 0.00 WT2 H ATOM 30615 H2 TIP3 3801 46.082 35.195 46.211 1.00 0.00 WT2 H ATOM 30616 OH2 TIP3 3802 32.053 29.951 56.074 1.00 0.00 WT2 O ATOM 30617 H1 TIP3 3802 32.665 29.221 55.979 1.00 0.00 WT2 H ATOM 30618 H2 TIP3 3802 32.365 30.609 55.453 1.00 0.00 WT2 H ATOM 30619 OH2 TIP3 3804 53.513 20.926 -10.465 1.00 0.00 WT2 O ATOM 30620 H1 TIP3 3804 54.285 20.895 -9.899 1.00 0.00 WT2 H ATOM 30621 H2 TIP3 3804 52.774 20.994 -9.861 1.00 0.00 WT2 H ATOM 30622 OH2 TIP3 3805 49.139 90.657 62.963 1.00 0.00 WT2 O ATOM 30623 H1 TIP3 3805 48.830 91.492 62.611 1.00 0.00 WT2 H ATOM 30624 H2 TIP3 3805 49.790 90.356 62.329 1.00 0.00 WT2 H ATOM 30625 OH2 TIP3 3806 34.956 87.040 46.477 1.00 0.00 WT2 O ATOM 30626 H1 TIP3 3806 34.501 86.543 47.157 1.00 0.00 WT2 H ATOM 30627 H2 TIP3 3806 34.316 87.122 45.770 1.00 0.00 WT2 H ATOM 30628 OH2 TIP3 3807 82.877 92.986 -0.096 1.00 0.00 WT2 O ATOM 30629 H1 TIP3 3807 82.748 92.231 -0.669 1.00 0.00 WT2 H ATOM 30630 H2 TIP3 3807 81.993 93.250 0.157 1.00 0.00 WT2 H ATOM 30631 OH2 TIP3 3808 79.790 58.492 -13.113 1.00 0.00 WT2 O ATOM 30632 H1 TIP3 3808 79.717 59.018 -12.317 1.00 0.00 WT2 H ATOM 30633 H2 TIP3 3808 80.720 58.523 -13.337 1.00 0.00 WT2 H ATOM 30634 OH2 TIP3 3809 74.911 72.642 46.090 1.00 0.00 WT2 O ATOM 30635 H1 TIP3 3809 75.378 72.397 45.292 1.00 0.00 WT2 H ATOM 30636 H2 TIP3 3809 74.842 71.827 46.588 1.00 0.00 WT2 H ATOM 30637 OH2 TIP3 3821 39.378 51.812 32.710 1.00 0.00 WT2 O ATOM 30638 H1 TIP3 3821 39.840 52.649 32.749 1.00 0.00 WT2 H ATOM 30639 H2 TIP3 3821 39.757 51.363 31.955 1.00 0.00 WT2 H ATOM 30640 OH2 TIP3 3823 27.003 46.075 31.444 1.00 0.00 WT2 O ATOM 30641 H1 TIP3 3823 26.247 46.320 30.910 1.00 0.00 WT2 H ATOM 30642 H2 TIP3 3823 27.433 45.379 30.947 1.00 0.00 WT2 H ATOM 30643 OH2 TIP3 3826 64.300 26.705 -16.825 1.00 0.00 WT2 O ATOM 30644 H1 TIP3 3826 63.491 27.142 -16.561 1.00 0.00 WT2 H ATOM 30645 H2 TIP3 3826 64.810 27.388 -17.262 1.00 0.00 WT2 H ATOM 30646 OH2 TIP3 3827 70.107 17.839 42.837 1.00 0.00 WT2 O ATOM 30647 H1 TIP3 3827 69.938 18.023 41.913 1.00 0.00 WT2 H ATOM 30648 H2 TIP3 3827 69.291 17.455 43.158 1.00 0.00 WT2 H ATOM 30649 OH2 TIP3 3828 25.615 18.708 39.820 1.00 0.00 WT2 O ATOM 30650 H1 TIP3 3828 26.022 17.883 39.554 1.00 0.00 WT2 H ATOM 30651 H2 TIP3 3828 25.566 19.222 39.014 1.00 0.00 WT2 H ATOM 30652 OH2 TIP3 3829 79.597 26.490 41.772 1.00 0.00 WT2 O ATOM 30653 H1 TIP3 3829 78.987 27.066 42.233 1.00 0.00 WT2 H ATOM 30654 H2 TIP3 3829 79.628 26.837 40.880 1.00 0.00 WT2 H ATOM 30655 OH2 TIP3 3845 32.387 30.425 18.677 1.00 0.00 WT2 O ATOM 30656 H1 TIP3 3845 31.467 30.271 18.464 1.00 0.00 WT2 H ATOM 30657 H2 TIP3 3845 32.513 29.993 19.522 1.00 0.00 WT2 H ATOM 30658 OH2 TIP3 3846 47.472 1.175 5.681 1.00 0.00 WT2 O ATOM 30659 H1 TIP3 3846 47.525 0.881 6.590 1.00 0.00 WT2 H ATOM 30660 H2 TIP3 3846 47.552 2.127 5.732 1.00 0.00 WT2 H ATOM 30661 OH2 TIP3 3847 26.842 41.652 -15.450 1.00 0.00 WT2 O ATOM 30662 H1 TIP3 3847 26.330 41.552 -14.647 1.00 0.00 WT2 H ATOM 30663 H2 TIP3 3847 27.128 42.565 -15.440 1.00 0.00 WT2 H ATOM 30664 OH2 TIP3 3848 80.479 65.819 -10.332 1.00 0.00 WT2 O ATOM 30665 H1 TIP3 3848 80.201 66.735 -10.322 1.00 0.00 WT2 H ATOM 30666 H2 TIP3 3848 80.177 65.467 -9.495 1.00 0.00 WT2 H ATOM 30667 OH2 TIP3 3849 35.649 40.710 12.756 1.00 0.00 WT2 O ATOM 30668 H1 TIP3 3849 35.781 39.919 13.280 1.00 0.00 WT2 H ATOM 30669 H2 TIP3 3849 36.404 41.262 12.960 1.00 0.00 WT2 H ATOM 30670 OH2 TIP3 3853 39.255 57.809 10.890 1.00 0.00 WT2 O ATOM 30671 H1 TIP3 3853 40.062 58.319 10.832 1.00 0.00 WT2 H ATOM 30672 H2 TIP3 3853 39.305 57.376 11.742 1.00 0.00 WT2 H ATOM 30673 OH2 TIP3 3863 38.072 53.763 -9.755 1.00 0.00 WT2 O ATOM 30674 H1 TIP3 3863 38.182 53.102 -10.438 1.00 0.00 WT2 H ATOM 30675 H2 TIP3 3863 37.187 53.618 -9.421 1.00 0.00 WT2 H ATOM 30676 OH2 TIP3 3867 33.767 12.997 -4.523 1.00 0.00 WT2 O ATOM 30677 H1 TIP3 3867 33.510 13.113 -5.438 1.00 0.00 WT2 H ATOM 30678 H2 TIP3 3867 33.964 13.881 -4.215 1.00 0.00 WT2 H ATOM 30679 OH2 TIP3 3868 37.379 18.206 42.541 1.00 0.00 WT2 O ATOM 30680 H1 TIP3 3868 36.698 18.058 41.885 1.00 0.00 WT2 H ATOM 30681 H2 TIP3 3868 37.769 19.046 42.297 1.00 0.00 WT2 H ATOM 30682 OH2 TIP3 3869 63.739 53.483 39.282 1.00 0.00 WT2 O ATOM 30683 H1 TIP3 3869 62.799 53.579 39.430 1.00 0.00 WT2 H ATOM 30684 H2 TIP3 3869 63.908 53.979 38.480 1.00 0.00 WT2 H ATOM 30685 OH2 TIP3 3873 28.974 93.730 23.285 1.00 0.00 WT2 O ATOM 30686 H1 TIP3 3873 29.037 93.352 24.163 1.00 0.00 WT2 H ATOM 30687 H2 TIP3 3873 28.403 93.129 22.806 1.00 0.00 WT2 H ATOM 30688 OH2 TIP3 3875 46.701 75.637 -11.661 1.00 0.00 WT2 O ATOM 30689 H1 TIP3 3875 45.793 75.487 -11.925 1.00 0.00 WT2 H ATOM 30690 H2 TIP3 3875 47.198 74.954 -12.112 1.00 0.00 WT2 H ATOM 30691 OH2 TIP3 3882 33.711 96.104 63.354 1.00 0.00 WT2 O ATOM 30692 H1 TIP3 3882 33.476 95.191 63.190 1.00 0.00 WT2 H ATOM 30693 H2 TIP3 3882 34.540 96.057 63.829 1.00 0.00 WT2 H ATOM 30694 OH2 TIP3 3886 21.955 74.236 48.268 1.00 0.00 WT2 O ATOM 30695 H1 TIP3 3886 22.309 75.002 47.818 1.00 0.00 WT2 H ATOM 30696 H2 TIP3 3886 22.439 73.496 47.900 1.00 0.00 WT2 H ATOM 30697 OH2 TIP3 3888 70.563 68.427 6.116 1.00 0.00 WT2 O ATOM 30698 H1 TIP3 3888 69.787 67.911 5.895 1.00 0.00 WT2 H ATOM 30699 H2 TIP3 3888 71.191 67.785 6.448 1.00 0.00 WT2 H ATOM 30700 OH2 TIP3 3889 57.721 61.895 66.238 1.00 0.00 WT2 O ATOM 30701 H1 TIP3 3889 56.779 61.868 66.072 1.00 0.00 WT2 H ATOM 30702 H2 TIP3 3889 57.936 61.016 66.550 1.00 0.00 WT2 H ATOM 30703 OH2 TIP3 3891 37.782 71.715 51.841 1.00 0.00 WT2 O ATOM 30704 H1 TIP3 3891 37.216 71.723 52.612 1.00 0.00 WT2 H ATOM 30705 H2 TIP3 3891 37.994 70.791 51.708 1.00 0.00 WT2 H ATOM 30706 OH2 TIP3 3892 20.332 27.777 50.967 1.00 0.00 WT2 O ATOM 30707 H1 TIP3 3892 19.893 27.710 50.119 1.00 0.00 WT2 H ATOM 30708 H2 TIP3 3892 21.026 27.119 50.931 1.00 0.00 WT2 H ATOM 30709 OH2 TIP3 3907 83.912 69.477 52.769 1.00 0.00 WT2 O ATOM 30710 H1 TIP3 3907 83.762 70.368 53.085 1.00 0.00 WT2 H ATOM 30711 H2 TIP3 3907 84.837 69.311 52.950 1.00 0.00 WT2 H ATOM 30712 OH2 TIP3 3909 77.623 95.360 -7.250 1.00 0.00 WT2 O ATOM 30713 H1 TIP3 3909 78.030 94.563 -7.591 1.00 0.00 WT2 H ATOM 30714 H2 TIP3 3909 77.531 95.199 -6.311 1.00 0.00 WT2 H ATOM 30715 OH2 TIP3 3911 80.601 57.609 51.452 1.00 0.00 WT2 O ATOM 30716 H1 TIP3 3911 79.867 57.600 52.066 1.00 0.00 WT2 H ATOM 30717 H2 TIP3 3911 81.377 57.693 52.007 1.00 0.00 WT2 H ATOM 30718 OH2 TIP3 3912 78.701 39.522 -2.931 1.00 0.00 WT2 O ATOM 30719 H1 TIP3 3912 78.334 38.645 -3.038 1.00 0.00 WT2 H ATOM 30720 H2 TIP3 3912 78.188 40.071 -3.523 1.00 0.00 WT2 H ATOM 30721 OH2 TIP3 3925 48.165 49.116 0.097 1.00 0.00 WT2 O ATOM 30722 H1 TIP3 3925 48.555 49.973 0.269 1.00 0.00 WT2 H ATOM 30723 H2 TIP3 3925 48.607 48.525 0.707 1.00 0.00 WT2 H ATOM 30724 OH2 TIP3 3928 76.565 36.854 18.355 1.00 0.00 WT2 O ATOM 30725 H1 TIP3 3928 75.822 37.120 18.897 1.00 0.00 WT2 H ATOM 30726 H2 TIP3 3928 76.215 36.825 17.465 1.00 0.00 WT2 H ATOM 30727 OH2 TIP3 3929 47.586 33.720 36.201 1.00 0.00 WT2 O ATOM 30728 H1 TIP3 3929 47.767 33.975 37.106 1.00 0.00 WT2 H ATOM 30729 H2 TIP3 3929 47.701 34.525 35.697 1.00 0.00 WT2 H ATOM 30730 OH2 TIP3 3930 51.414 13.046 22.104 1.00 0.00 WT2 O ATOM 30731 H1 TIP3 3930 50.965 12.729 21.321 1.00 0.00 WT2 H ATOM 30732 H2 TIP3 3930 51.303 13.996 22.077 1.00 0.00 WT2 H ATOM 30733 OH2 TIP3 3931 23.227 24.971 59.899 1.00 0.00 WT2 O ATOM 30734 H1 TIP3 3931 23.594 25.571 60.548 1.00 0.00 WT2 H ATOM 30735 H2 TIP3 3931 23.884 24.280 59.813 1.00 0.00 WT2 H ATOM 30736 OH2 TIP3 3932 56.247 51.348 64.387 1.00 0.00 WT2 O ATOM 30737 H1 TIP3 3932 55.672 52.092 64.563 1.00 0.00 WT2 H ATOM 30738 H2 TIP3 3932 55.969 50.677 65.010 1.00 0.00 WT2 H ATOM 30739 OH2 TIP3 3933 73.437 10.017 -16.731 1.00 0.00 WT2 O ATOM 30740 H1 TIP3 3933 73.676 10.917 -16.508 1.00 0.00 WT2 H ATOM 30741 H2 TIP3 3933 72.617 9.863 -16.262 1.00 0.00 WT2 H ATOM 30742 OH2 TIP3 3934 71.040 72.348 58.892 1.00 0.00 WT2 O ATOM 30743 H1 TIP3 3934 71.334 72.064 59.758 1.00 0.00 WT2 H ATOM 30744 H2 TIP3 3934 70.815 73.271 59.006 1.00 0.00 WT2 H ATOM 30745 OH2 TIP3 3949 32.311 51.755 62.863 1.00 0.00 WT2 O ATOM 30746 H1 TIP3 3949 31.393 51.558 63.049 1.00 0.00 WT2 H ATOM 30747 H2 TIP3 3949 32.732 50.898 62.798 1.00 0.00 WT2 H ATOM 30748 OH2 TIP3 3951 86.243 66.116 0.716 1.00 0.00 WT2 O ATOM 30749 H1 TIP3 3951 85.527 66.751 0.711 1.00 0.00 WT2 H ATOM 30750 H2 TIP3 3951 85.852 65.317 1.068 1.00 0.00 WT2 H ATOM 30751 OH2 TIP3 3955 52.544 58.300 14.646 1.00 0.00 WT2 O ATOM 30752 H1 TIP3 3955 52.635 57.460 15.095 1.00 0.00 WT2 H ATOM 30753 H2 TIP3 3955 52.303 58.916 15.337 1.00 0.00 WT2 H ATOM 30754 OH2 TIP3 3956 59.362 93.481 -3.755 1.00 0.00 WT2 O ATOM 30755 H1 TIP3 3956 59.350 94.159 -3.079 1.00 0.00 WT2 H ATOM 30756 H2 TIP3 3956 58.457 93.174 -3.803 1.00 0.00 WT2 H ATOM 30757 OH2 TIP3 3971 44.180 51.029 -13.287 1.00 0.00 WT2 O ATOM 30758 H1 TIP3 3971 43.717 51.757 -13.701 1.00 0.00 WT2 H ATOM 30759 H2 TIP3 3971 45.050 51.378 -13.091 1.00 0.00 WT2 H ATOM 30760 OH2 TIP3 3972 33.923 13.911 61.425 1.00 0.00 WT2 O ATOM 30761 H1 TIP3 3972 34.517 13.815 60.681 1.00 0.00 WT2 H ATOM 30762 H2 TIP3 3972 33.125 14.284 61.049 1.00 0.00 WT2 H ATOM 30763 OH2 TIP3 3973 71.665 95.489 -11.259 1.00 0.00 WT2 O ATOM 30764 H1 TIP3 3973 71.893 95.131 -12.117 1.00 0.00 WT2 H ATOM 30765 H2 TIP3 3973 71.555 94.720 -10.700 1.00 0.00 WT2 H ATOM 30766 OH2 TIP3 3974 68.360 4.577 -2.042 1.00 0.00 WT2 O ATOM 30767 H1 TIP3 3974 68.055 5.289 -1.479 1.00 0.00 WT2 H ATOM 30768 H2 TIP3 3974 69.159 4.263 -1.618 1.00 0.00 WT2 H ATOM 30769 OH2 TIP3 3975 30.586 37.408 28.088 1.00 0.00 WT2 O ATOM 30770 H1 TIP3 3975 31.051 38.144 28.487 1.00 0.00 WT2 H ATOM 30771 H2 TIP3 3975 30.841 37.435 27.166 1.00 0.00 WT2 H ATOM 30772 OH2 TIP3 3976 60.589 3.216 37.100 1.00 0.00 WT2 O ATOM 30773 H1 TIP3 3976 61.423 3.561 37.421 1.00 0.00 WT2 H ATOM 30774 H2 TIP3 3976 59.965 3.406 37.801 1.00 0.00 WT2 H ATOM 30775 OH2 TIP3 3977 83.289 3.295 66.956 1.00 0.00 WT2 O ATOM 30776 H1 TIP3 3977 84.110 3.283 67.447 1.00 0.00 WT2 H ATOM 30777 H2 TIP3 3977 83.079 4.224 66.861 1.00 0.00 WT2 H ATOM 30778 OH2 TIP3 3978 42.357 81.142 23.438 1.00 0.00 WT2 O ATOM 30779 H1 TIP3 3978 42.467 80.653 24.254 1.00 0.00 WT2 H ATOM 30780 H2 TIP3 3978 41.498 80.874 23.112 1.00 0.00 WT2 H ATOM 30781 OH2 TIP3 3986 72.484 2.400 44.820 1.00 0.00 WT2 O ATOM 30782 H1 TIP3 3986 72.315 1.995 43.970 1.00 0.00 WT2 H ATOM 30783 H2 TIP3 3986 72.908 3.232 44.609 1.00 0.00 WT2 H ATOM 30784 OH2 TIP3 3991 78.356 78.820 10.667 1.00 0.00 WT2 O ATOM 30785 H1 TIP3 3991 78.529 78.599 11.582 1.00 0.00 WT2 H ATOM 30786 H2 TIP3 3991 77.408 78.724 10.571 1.00 0.00 WT2 H ATOM 30787 OH2 TIP3 3992 34.417 71.073 49.954 1.00 0.00 WT2 O ATOM 30788 H1 TIP3 3992 34.949 70.278 49.946 1.00 0.00 WT2 H ATOM 30789 H2 TIP3 3992 33.559 70.792 49.636 1.00 0.00 WT2 H ATOM 30790 OH2 TIP3 3993 44.536 17.265 62.262 1.00 0.00 WT2 O ATOM 30791 H1 TIP3 3993 43.677 16.848 62.321 1.00 0.00 WT2 H ATOM 30792 H2 TIP3 3993 44.883 16.981 61.416 1.00 0.00 WT2 H ATOM 30793 OH2 TIP3 3994 87.985 13.176 -11.227 1.00 0.00 WT2 O ATOM 30794 H1 TIP3 3994 88.679 12.769 -11.747 1.00 0.00 WT2 H ATOM 30795 H2 TIP3 3994 88.010 14.100 -11.475 1.00 0.00 WT2 H ATOM 30796 OH2 TIP3 3995 23.666 18.288 35.381 1.00 0.00 WT2 O ATOM 30797 H1 TIP3 3995 23.107 17.989 34.664 1.00 0.00 WT2 H ATOM 30798 H2 TIP3 3995 23.153 18.966 35.820 1.00 0.00 WT2 H ATOM 30799 OH2 TIP3 3996 40.849 78.177 17.837 1.00 0.00 WT2 O ATOM 30800 H1 TIP3 3996 41.618 78.191 18.407 1.00 0.00 WT2 H ATOM 30801 H2 TIP3 3996 40.147 77.834 18.390 1.00 0.00 WT2 H ATOM 30802 OH2 TIP3 4009 30.963 15.159 33.856 1.00 0.00 WT2 O ATOM 30803 H1 TIP3 4009 30.948 14.295 33.445 1.00 0.00 WT2 H ATOM 30804 H2 TIP3 4009 31.626 15.088 34.542 1.00 0.00 WT2 H ATOM 30805 OH2 TIP3 4010 36.217 38.762 0.134 1.00 0.00 WT2 O ATOM 30806 H1 TIP3 4010 36.758 39.409 -0.316 1.00 0.00 WT2 H ATOM 30807 H2 TIP3 4010 36.779 37.991 0.212 1.00 0.00 WT2 H ATOM 30808 OH2 TIP3 4011 41.590 65.530 36.281 1.00 0.00 WT2 O ATOM 30809 H1 TIP3 4011 42.543 65.598 36.218 1.00 0.00 WT2 H ATOM 30810 H2 TIP3 4011 41.439 64.713 36.756 1.00 0.00 WT2 H ATOM 30811 OH2 TIP3 4012 27.739 49.113 0.127 1.00 0.00 WT2 O ATOM 30812 H1 TIP3 4012 28.393 48.824 0.764 1.00 0.00 WT2 H ATOM 30813 H2 TIP3 4012 28.212 49.718 -0.445 1.00 0.00 WT2 H ATOM 30814 OH2 TIP3 4014 52.586 8.801 -12.022 1.00 0.00 WT2 O ATOM 30815 H1 TIP3 4014 53.538 8.755 -12.110 1.00 0.00 WT2 H ATOM 30816 H2 TIP3 4014 52.440 9.439 -11.323 1.00 0.00 WT2 H ATOM 30817 OH2 TIP3 4015 75.229 81.547 5.560 1.00 0.00 WT2 O ATOM 30818 H1 TIP3 4015 76.040 81.760 6.022 1.00 0.00 WT2 H ATOM 30819 H2 TIP3 4015 74.832 82.397 5.368 1.00 0.00 WT2 H ATOM 30820 OH2 TIP3 4016 27.639 10.652 8.576 1.00 0.00 WT2 O ATOM 30821 H1 TIP3 4016 26.797 10.197 8.565 1.00 0.00 WT2 H ATOM 30822 H2 TIP3 4016 28.169 10.193 7.925 1.00 0.00 WT2 H ATOM 30823 OH2 TIP3 4017 39.151 50.255 62.237 1.00 0.00 WT2 O ATOM 30824 H1 TIP3 4017 38.991 49.846 61.386 1.00 0.00 WT2 H ATOM 30825 H2 TIP3 4017 39.835 49.718 62.637 1.00 0.00 WT2 H ATOM 30826 OH2 TIP3 4021 81.085 90.283 64.875 1.00 0.00 WT2 O ATOM 30827 H1 TIP3 4021 80.358 90.258 64.252 1.00 0.00 WT2 H ATOM 30828 H2 TIP3 4021 81.196 89.373 65.151 1.00 0.00 WT2 H ATOM 30829 OH2 TIP3 4022 24.390 90.506 -15.994 1.00 0.00 WT2 O ATOM 30830 H1 TIP3 4022 23.443 90.491 -16.135 1.00 0.00 WT2 H ATOM 30831 H2 TIP3 4022 24.502 90.215 -15.089 1.00 0.00 WT2 H ATOM 30832 OH2 TIP3 4030 87.159 88.684 52.736 1.00 0.00 WT2 O ATOM 30833 H1 TIP3 4030 87.849 89.258 53.070 1.00 0.00 WT2 H ATOM 30834 H2 TIP3 4030 86.536 88.611 53.459 1.00 0.00 WT2 H ATOM 30835 OH2 TIP3 4033 61.284 7.524 57.460 1.00 0.00 WT2 O ATOM 30836 H1 TIP3 4033 61.605 7.943 58.259 1.00 0.00 WT2 H ATOM 30837 H2 TIP3 4033 61.843 6.755 57.351 1.00 0.00 WT2 H ATOM 30838 OH2 TIP3 4035 33.953 93.154 15.838 1.00 0.00 WT2 O ATOM 30839 H1 TIP3 4035 34.412 92.326 15.979 1.00 0.00 WT2 H ATOM 30840 H2 TIP3 4035 34.570 93.688 15.337 1.00 0.00 WT2 H ATOM 30841 OH2 TIP3 4036 88.373 86.288 -7.483 1.00 0.00 WT2 O ATOM 30842 H1 TIP3 4036 89.095 86.916 -7.457 1.00 0.00 WT2 H ATOM 30843 H2 TIP3 4036 88.516 85.791 -8.289 1.00 0.00 WT2 H ATOM 30844 OH2 TIP3 4037 28.580 75.020 66.387 1.00 0.00 WT2 O ATOM 30845 H1 TIP3 4037 28.661 74.442 67.147 1.00 0.00 WT2 H ATOM 30846 H2 TIP3 4037 28.213 75.830 66.740 1.00 0.00 WT2 H ATOM 30847 OH2 TIP3 4040 40.274 30.203 65.054 1.00 0.00 WT2 O ATOM 30848 H1 TIP3 4040 40.638 31.052 65.306 1.00 0.00 WT2 H ATOM 30849 H2 TIP3 4040 41.030 29.615 65.032 1.00 0.00 WT2 H ATOM 30850 OH2 TIP3 4053 63.114 1.311 47.973 1.00 0.00 WT2 O ATOM 30851 H1 TIP3 4053 62.923 1.711 48.821 1.00 0.00 WT2 H ATOM 30852 H2 TIP3 4053 62.921 0.382 48.097 1.00 0.00 WT2 H ATOM 30853 OH2 TIP3 4054 74.172 83.840 -7.906 1.00 0.00 WT2 O ATOM 30854 H1 TIP3 4054 73.313 84.236 -7.761 1.00 0.00 WT2 H ATOM 30855 H2 TIP3 4054 74.792 84.469 -7.537 1.00 0.00 WT2 H ATOM 30856 OH2 TIP3 4055 43.648 54.785 5.326 1.00 0.00 WT2 O ATOM 30857 H1 TIP3 4055 42.837 54.822 5.833 1.00 0.00 WT2 H ATOM 30858 H2 TIP3 4055 44.173 54.114 5.763 1.00 0.00 WT2 H ATOM 30859 OH2 TIP3 4056 23.115 91.219 26.485 1.00 0.00 WT2 O ATOM 30860 H1 TIP3 4056 23.624 90.903 25.739 1.00 0.00 WT2 H ATOM 30861 H2 TIP3 4056 22.395 91.713 26.094 1.00 0.00 WT2 H ATOM 30862 OH2 TIP3 4057 80.012 44.329 51.686 1.00 0.00 WT2 O ATOM 30863 H1 TIP3 4057 80.231 45.051 51.096 1.00 0.00 WT2 H ATOM 30864 H2 TIP3 4057 79.969 43.560 51.118 1.00 0.00 WT2 H ATOM 30865 OH2 TIP3 4058 42.912 90.283 42.041 1.00 0.00 WT2 O ATOM 30866 H1 TIP3 4058 42.064 89.851 41.939 1.00 0.00 WT2 H ATOM 30867 H2 TIP3 4058 42.896 90.636 42.931 1.00 0.00 WT2 H ATOM 30868 OH2 TIP3 4059 68.039 27.482 54.905 1.00 0.00 WT2 O ATOM 30869 H1 TIP3 4059 67.607 26.754 55.353 1.00 0.00 WT2 H ATOM 30870 H2 TIP3 4059 67.732 27.424 54.001 1.00 0.00 WT2 H ATOM 30871 OH2 TIP3 4060 75.332 39.823 -2.085 1.00 0.00 WT2 O ATOM 30872 H1 TIP3 4060 75.393 38.872 -2.182 1.00 0.00 WT2 H ATOM 30873 H2 TIP3 4060 74.880 40.116 -2.876 1.00 0.00 WT2 H ATOM 30874 OH2 TIP3 4064 26.565 81.043 24.243 1.00 0.00 WT2 O ATOM 30875 H1 TIP3 4064 26.890 81.444 25.049 1.00 0.00 WT2 H ATOM 30876 H2 TIP3 4064 25.928 81.671 23.901 1.00 0.00 WT2 H ATOM 30877 OH2 TIP3 4072 46.923 59.654 55.987 1.00 0.00 WT2 O ATOM 30878 H1 TIP3 4072 46.856 59.907 55.066 1.00 0.00 WT2 H ATOM 30879 H2 TIP3 4072 46.073 59.885 56.362 1.00 0.00 WT2 H ATOM 30880 OH2 TIP3 4074 62.424 90.232 54.119 1.00 0.00 WT2 O ATOM 30881 H1 TIP3 4074 62.438 89.622 54.857 1.00 0.00 WT2 H ATOM 30882 H2 TIP3 4074 62.997 89.832 53.466 1.00 0.00 WT2 H ATOM 30883 OH2 TIP3 4076 62.349 40.372 -11.745 1.00 0.00 WT2 O ATOM 30884 H1 TIP3 4076 62.067 40.086 -12.614 1.00 0.00 WT2 H ATOM 30885 H2 TIP3 4076 61.663 40.059 -11.155 1.00 0.00 WT2 H ATOM 30886 OH2 TIP3 4077 78.917 26.529 51.791 1.00 0.00 WT2 O ATOM 30887 H1 TIP3 4077 78.409 25.953 52.362 1.00 0.00 WT2 H ATOM 30888 H2 TIP3 4077 79.328 27.156 52.386 1.00 0.00 WT2 H ATOM 30889 OH2 TIP3 4078 56.294 0.587 65.624 1.00 0.00 WT2 O ATOM 30890 H1 TIP3 4078 55.863 1.286 65.132 1.00 0.00 WT2 H ATOM 30891 H2 TIP3 4078 56.707 1.032 66.363 1.00 0.00 WT2 H ATOM 30892 OH2 TIP3 4083 35.799 30.826 17.146 1.00 0.00 WT2 O ATOM 30893 H1 TIP3 4083 36.188 31.692 17.267 1.00 0.00 WT2 H ATOM 30894 H2 TIP3 4083 36.548 30.231 17.099 1.00 0.00 WT2 H ATOM 30895 OH2 TIP3 4093 84.956 59.381 39.558 1.00 0.00 WT2 O ATOM 30896 H1 TIP3 4093 85.014 60.323 39.719 1.00 0.00 WT2 H ATOM 30897 H2 TIP3 4093 84.069 59.248 39.224 1.00 0.00 WT2 H ATOM 30898 OH2 TIP3 4097 28.733 76.550 17.425 1.00 0.00 WT2 O ATOM 30899 H1 TIP3 4097 28.930 77.188 16.738 1.00 0.00 WT2 H ATOM 30900 H2 TIP3 4097 29.590 76.245 17.722 1.00 0.00 WT2 H ATOM 30901 OH2 TIP3 4098 22.847 46.194 46.792 1.00 0.00 WT2 O ATOM 30902 H1 TIP3 4098 22.882 47.020 46.309 1.00 0.00 WT2 H ATOM 30903 H2 TIP3 4098 22.201 45.667 46.321 1.00 0.00 WT2 H ATOM 30904 OH2 TIP3 4099 28.124 29.085 -12.460 1.00 0.00 WT2 O ATOM 30905 H1 TIP3 4099 28.519 28.274 -12.139 1.00 0.00 WT2 H ATOM 30906 H2 TIP3 4099 28.583 29.267 -13.280 1.00 0.00 WT2 H ATOM 30907 OH2 TIP3 4100 22.264 82.115 31.932 1.00 0.00 WT2 O ATOM 30908 H1 TIP3 4100 21.816 82.828 31.476 1.00 0.00 WT2 H ATOM 30909 H2 TIP3 4100 22.007 81.326 31.456 1.00 0.00 WT2 H ATOM 30910 OH2 TIP3 4101 75.685 89.042 -9.176 1.00 0.00 WT2 O ATOM 30911 H1 TIP3 4101 76.576 89.170 -9.502 1.00 0.00 WT2 H ATOM 30912 H2 TIP3 4101 75.370 88.264 -9.637 1.00 0.00 WT2 H ATOM 30913 OH2 TIP3 4104 59.452 43.757 5.086 1.00 0.00 WT2 O ATOM 30914 H1 TIP3 4104 59.378 42.809 4.980 1.00 0.00 WT2 H ATOM 30915 H2 TIP3 4104 58.698 43.998 5.625 1.00 0.00 WT2 H ATOM 30916 OH2 TIP3 4116 54.419 68.482 7.390 1.00 0.00 WT2 O ATOM 30917 H1 TIP3 4116 53.592 68.048 7.600 1.00 0.00 WT2 H ATOM 30918 H2 TIP3 4116 55.016 68.213 8.087 1.00 0.00 WT2 H ATOM 30919 OH2 TIP3 4119 22.739 49.541 -10.186 1.00 0.00 WT2 O ATOM 30920 H1 TIP3 4119 23.191 49.192 -10.955 1.00 0.00 WT2 H ATOM 30921 H2 TIP3 4119 21.905 49.072 -10.165 1.00 0.00 WT2 H ATOM 30922 OH2 TIP3 4120 55.222 29.779 -12.724 1.00 0.00 WT2 O ATOM 30923 H1 TIP3 4120 55.034 30.637 -12.345 1.00 0.00 WT2 H ATOM 30924 H2 TIP3 4120 54.838 29.815 -13.600 1.00 0.00 WT2 H ATOM 30925 OH2 TIP3 4121 29.061 41.122 52.845 1.00 0.00 WT2 O ATOM 30926 H1 TIP3 4121 28.978 40.533 52.095 1.00 0.00 WT2 H ATOM 30927 H2 TIP3 4121 29.940 41.492 52.764 1.00 0.00 WT2 H ATOM 30928 OH2 TIP3 4123 41.331 17.718 4.898 1.00 0.00 WT2 O ATOM 30929 H1 TIP3 4123 41.690 18.038 4.070 1.00 0.00 WT2 H ATOM 30930 H2 TIP3 4123 40.523 17.269 4.652 1.00 0.00 WT2 H ATOM 30931 OH2 TIP3 4138 89.299 54.914 60.957 1.00 0.00 WT2 O ATOM 30932 H1 TIP3 4138 89.600 55.372 61.742 1.00 0.00 WT2 H ATOM 30933 H2 TIP3 4138 88.352 54.840 61.071 1.00 0.00 WT2 H ATOM 30934 OH2 TIP3 4139 85.537 41.481 26.417 1.00 0.00 WT2 O ATOM 30935 H1 TIP3 4139 85.670 41.802 25.526 1.00 0.00 WT2 H ATOM 30936 H2 TIP3 4139 84.600 41.594 26.576 1.00 0.00 WT2 H ATOM 30937 OH2 TIP3 4140 55.703 2.210 20.536 1.00 0.00 WT2 O ATOM 30938 H1 TIP3 4140 56.487 2.742 20.670 1.00 0.00 WT2 H ATOM 30939 H2 TIP3 4140 55.006 2.693 20.979 1.00 0.00 WT2 H ATOM 30940 OH2 TIP3 4141 85.015 60.402 51.176 1.00 0.00 WT2 O ATOM 30941 H1 TIP3 4141 85.737 60.369 50.548 1.00 0.00 WT2 H ATOM 30942 H2 TIP3 4141 84.725 59.493 51.256 1.00 0.00 WT2 H ATOM 30943 OH2 TIP3 4142 44.897 42.951 32.606 1.00 0.00 WT2 O ATOM 30944 H1 TIP3 4142 44.664 42.225 32.027 1.00 0.00 WT2 H ATOM 30945 H2 TIP3 4142 45.464 43.509 32.074 1.00 0.00 WT2 H ATOM 30946 OH2 TIP3 4143 80.328 16.621 -11.393 1.00 0.00 WT2 O ATOM 30947 H1 TIP3 4143 79.942 17.378 -10.953 1.00 0.00 WT2 H ATOM 30948 H2 TIP3 4143 79.650 16.324 -12.000 1.00 0.00 WT2 H ATOM 30949 OH2 TIP3 4157 30.662 40.132 -19.263 1.00 0.00 WT2 O ATOM 30950 H1 TIP3 4157 29.776 40.049 -19.616 1.00 0.00 WT2 H ATOM 30951 H2 TIP3 4157 30.546 40.101 -18.314 1.00 0.00 WT2 H ATOM 30952 OH2 TIP3 4158 20.570 77.470 14.671 1.00 0.00 WT2 O ATOM 30953 H1 TIP3 4158 20.419 76.566 14.947 1.00 0.00 WT2 H ATOM 30954 H2 TIP3 4158 20.307 77.486 13.750 1.00 0.00 WT2 H ATOM 30955 OH2 TIP3 4159 47.019 15.321 -0.815 1.00 0.00 WT2 O ATOM 30956 H1 TIP3 4159 47.939 15.393 -1.067 1.00 0.00 WT2 H ATOM 30957 H2 TIP3 4159 47.019 15.448 0.134 1.00 0.00 WT2 H ATOM 30958 OH2 TIP3 4161 28.561 53.861 17.718 1.00 0.00 WT2 O ATOM 30959 H1 TIP3 4161 29.150 53.896 16.964 1.00 0.00 WT2 H ATOM 30960 H2 TIP3 4161 28.824 53.072 18.191 1.00 0.00 WT2 H ATOM 30961 OH2 TIP3 4165 39.699 85.186 -18.192 1.00 0.00 WT2 O ATOM 30962 H1 TIP3 4165 38.757 85.106 -18.041 1.00 0.00 WT2 H ATOM 30963 H2 TIP3 4165 40.050 84.321 -17.979 1.00 0.00 WT2 H ATOM 30964 OH2 TIP3 4179 53.376 0.448 38.095 1.00 0.00 WT2 O ATOM 30965 H1 TIP3 4179 53.249 0.584 37.156 1.00 0.00 WT2 H ATOM 30966 H2 TIP3 4179 52.647 -0.114 38.357 1.00 0.00 WT2 H ATOM 30967 OH2 TIP3 4181 79.106 31.388 59.306 1.00 0.00 WT2 O ATOM 30968 H1 TIP3 4181 79.279 31.619 58.394 1.00 0.00 WT2 H ATOM 30969 H2 TIP3 4181 79.122 30.431 59.319 1.00 0.00 WT2 H ATOM 30970 OH2 TIP3 4182 80.491 30.051 41.602 1.00 0.00 WT2 O ATOM 30971 H1 TIP3 4182 80.225 29.440 40.915 1.00 0.00 WT2 H ATOM 30972 H2 TIP3 4182 80.147 30.898 41.317 1.00 0.00 WT2 H ATOM 30973 OH2 TIP3 4183 46.559 64.933 5.465 1.00 0.00 WT2 O ATOM 30974 H1 TIP3 4183 46.304 65.770 5.853 1.00 0.00 WT2 H ATOM 30975 H2 TIP3 4183 46.972 64.452 6.182 1.00 0.00 WT2 H ATOM 30976 OH2 TIP3 4184 29.241 0.842 41.077 1.00 0.00 WT2 O ATOM 30977 H1 TIP3 4184 29.716 1.670 41.152 1.00 0.00 WT2 H ATOM 30978 H2 TIP3 4184 28.337 1.063 41.301 1.00 0.00 WT2 H ATOM 30979 OH2 TIP3 4186 32.908 7.524 25.189 1.00 0.00 WT2 O ATOM 30980 H1 TIP3 4186 33.780 7.491 24.795 1.00 0.00 WT2 H ATOM 30981 H2 TIP3 4186 32.764 6.640 25.527 1.00 0.00 WT2 H ATOM 30982 OH2 TIP3 4187 38.612 19.720 8.768 1.00 0.00 WT2 O ATOM 30983 H1 TIP3 4187 39.328 19.133 9.012 1.00 0.00 WT2 H ATOM 30984 H2 TIP3 4187 38.339 20.122 9.592 1.00 0.00 WT2 H ATOM 30985 OH2 TIP3 4198 64.119 29.947 7.217 1.00 0.00 WT2 O ATOM 30986 H1 TIP3 4198 63.778 29.061 7.335 1.00 0.00 WT2 H ATOM 30987 H2 TIP3 4198 63.367 30.454 6.910 1.00 0.00 WT2 H ATOM 30988 OH2 TIP3 4200 73.683 47.967 -11.583 1.00 0.00 WT2 O ATOM 30989 H1 TIP3 4200 73.959 47.294 -10.961 1.00 0.00 WT2 H ATOM 30990 H2 TIP3 4200 73.762 48.789 -11.098 1.00 0.00 WT2 H ATOM 30991 OH2 TIP3 4201 37.281 24.613 -3.174 1.00 0.00 WT2 O ATOM 30992 H1 TIP3 4201 38.142 24.195 -3.186 1.00 0.00 WT2 H ATOM 30993 H2 TIP3 4201 37.149 24.864 -2.260 1.00 0.00 WT2 H ATOM 30994 OH2 TIP3 4202 66.769 74.463 56.958 1.00 0.00 WT2 O ATOM 30995 H1 TIP3 4202 67.587 74.959 56.951 1.00 0.00 WT2 H ATOM 30996 H2 TIP3 4202 66.093 75.114 56.769 1.00 0.00 WT2 H ATOM 30997 OH2 TIP3 4205 21.343 44.179 4.912 1.00 0.00 WT2 O ATOM 30998 H1 TIP3 4205 21.213 44.791 5.636 1.00 0.00 WT2 H ATOM 30999 H2 TIP3 4205 20.463 43.870 4.698 1.00 0.00 WT2 H ATOM 31000 OH2 TIP3 4206 56.115 68.578 25.813 1.00 0.00 WT2 O ATOM 31001 H1 TIP3 4206 55.495 69.297 25.929 1.00 0.00 WT2 H ATOM 31002 H2 TIP3 4206 55.764 68.074 25.078 1.00 0.00 WT2 H ATOM 31003 OH2 TIP3 4207 52.194 25.152 -4.119 1.00 0.00 WT2 O ATOM 31004 H1 TIP3 4207 51.574 24.809 -4.763 1.00 0.00 WT2 H ATOM 31005 H2 TIP3 4207 51.644 25.563 -3.452 1.00 0.00 WT2 H ATOM 31006 OH2 TIP3 4218 73.724 24.161 41.479 1.00 0.00 WT2 O ATOM 31007 H1 TIP3 4218 74.174 23.622 42.130 1.00 0.00 WT2 H ATOM 31008 H2 TIP3 4218 73.659 23.599 40.707 1.00 0.00 WT2 H ATOM 31009 OH2 TIP3 4219 42.442 53.073 -13.945 1.00 0.00 WT2 O ATOM 31010 H1 TIP3 4219 42.223 53.158 -13.017 1.00 0.00 WT2 H ATOM 31011 H2 TIP3 4219 42.510 53.975 -14.258 1.00 0.00 WT2 H ATOM 31012 OH2 TIP3 4224 34.118 28.614 24.362 1.00 0.00 WT2 O ATOM 31013 H1 TIP3 4224 34.222 28.847 25.284 1.00 0.00 WT2 H ATOM 31014 H2 TIP3 4224 33.219 28.290 24.297 1.00 0.00 WT2 H ATOM 31015 OH2 TIP3 4225 28.632 36.158 50.171 1.00 0.00 WT2 O ATOM 31016 H1 TIP3 4225 28.115 36.720 49.594 1.00 0.00 WT2 H ATOM 31017 H2 TIP3 4225 29.538 36.301 49.898 1.00 0.00 WT2 H ATOM 31018 OH2 TIP3 4226 35.527 44.674 -20.206 1.00 0.00 WT2 O ATOM 31019 H1 TIP3 4226 36.311 44.513 -19.681 1.00 0.00 WT2 H ATOM 31020 H2 TIP3 4226 34.906 45.071 -19.595 1.00 0.00 WT2 H ATOM 31021 OH2 TIP3 4227 44.993 30.845 -5.246 1.00 0.00 WT2 O ATOM 31022 H1 TIP3 4227 45.361 29.988 -5.463 1.00 0.00 WT2 H ATOM 31023 H2 TIP3 4227 45.747 31.435 -5.237 1.00 0.00 WT2 H ATOM 31024 OH2 TIP3 4229 72.164 70.787 -7.808 1.00 0.00 WT2 O ATOM 31025 H1 TIP3 4229 71.935 70.926 -8.727 1.00 0.00 WT2 H ATOM 31026 H2 TIP3 4229 71.323 70.762 -7.352 1.00 0.00 WT2 H ATOM 31027 OH2 TIP3 4243 39.821 16.197 -4.746 1.00 0.00 WT2 O ATOM 31028 H1 TIP3 4243 39.167 15.652 -4.309 1.00 0.00 WT2 H ATOM 31029 H2 TIP3 4243 39.411 17.060 -4.808 1.00 0.00 WT2 H ATOM 31030 OH2 TIP3 4245 59.954 46.633 62.080 1.00 0.00 WT2 O ATOM 31031 H1 TIP3 4245 60.691 46.024 62.134 1.00 0.00 WT2 H ATOM 31032 H2 TIP3 4245 60.186 47.343 62.679 1.00 0.00 WT2 H ATOM 31033 OH2 TIP3 4246 47.522 59.361 -6.155 1.00 0.00 WT2 O ATOM 31034 H1 TIP3 4246 48.000 58.864 -6.819 1.00 0.00 WT2 H ATOM 31035 H2 TIP3 4246 48.165 59.981 -5.811 1.00 0.00 WT2 H ATOM 31036 OH2 TIP3 4247 69.332 44.360 65.186 1.00 0.00 WT2 O ATOM 31037 H1 TIP3 4247 69.772 43.866 64.494 1.00 0.00 WT2 H ATOM 31038 H2 TIP3 4247 70.006 44.949 65.526 1.00 0.00 WT2 H ATOM 31039 OH2 TIP3 4248 42.700 17.194 55.174 1.00 0.00 WT2 O ATOM 31040 H1 TIP3 4248 42.490 18.026 54.750 1.00 0.00 WT2 H ATOM 31041 H2 TIP3 4248 43.565 16.963 54.835 1.00 0.00 WT2 H ATOM 31042 OH2 TIP3 4251 44.981 6.972 -10.848 1.00 0.00 WT2 O ATOM 31043 H1 TIP3 4251 44.809 6.146 -10.396 1.00 0.00 WT2 H ATOM 31044 H2 TIP3 4251 45.451 6.718 -11.642 1.00 0.00 WT2 H ATOM 31045 OH2 TIP3 4262 48.579 49.315 44.220 1.00 0.00 WT2 O ATOM 31046 H1 TIP3 4262 49.533 49.289 44.298 1.00 0.00 WT2 H ATOM 31047 H2 TIP3 4262 48.419 49.511 43.297 1.00 0.00 WT2 H ATOM 31048 OH2 TIP3 4264 61.685 58.304 56.307 1.00 0.00 WT2 O ATOM 31049 H1 TIP3 4264 61.676 58.828 55.506 1.00 0.00 WT2 H ATOM 31050 H2 TIP3 4264 61.213 57.504 56.075 1.00 0.00 WT2 H ATOM 31051 OH2 TIP3 4266 65.211 35.217 0.176 1.00 0.00 WT2 O ATOM 31052 H1 TIP3 4266 65.962 34.909 0.685 1.00 0.00 WT2 H ATOM 31053 H2 TIP3 4266 64.487 35.230 0.801 1.00 0.00 WT2 H ATOM 31054 OH2 TIP3 4267 38.895 20.513 42.112 1.00 0.00 WT2 O ATOM 31055 H1 TIP3 4267 39.690 20.864 42.515 1.00 0.00 WT2 H ATOM 31056 H2 TIP3 4267 38.853 20.937 41.255 1.00 0.00 WT2 H ATOM 31057 OH2 TIP3 4268 36.126 63.969 -2.873 1.00 0.00 WT2 O ATOM 31058 H1 TIP3 4268 35.714 63.121 -3.037 1.00 0.00 WT2 H ATOM 31059 H2 TIP3 4268 35.533 64.606 -3.271 1.00 0.00 WT2 H ATOM 31060 OH2 TIP3 4269 78.671 78.923 55.339 1.00 0.00 WT2 O ATOM 31061 H1 TIP3 4269 79.180 78.115 55.280 1.00 0.00 WT2 H ATOM 31062 H2 TIP3 4269 78.172 78.953 54.523 1.00 0.00 WT2 H ATOM 31063 OH2 TIP3 4282 34.171 28.874 52.327 1.00 0.00 WT2 O ATOM 31064 H1 TIP3 4282 35.022 28.499 52.099 1.00 0.00 WT2 H ATOM 31065 H2 TIP3 4282 33.602 28.642 51.593 1.00 0.00 WT2 H ATOM 31066 OH2 TIP3 4283 25.926 41.884 67.083 1.00 0.00 WT2 O ATOM 31067 H1 TIP3 4283 26.485 42.461 67.603 1.00 0.00 WT2 H ATOM 31068 H2 TIP3 4283 26.518 41.492 66.441 1.00 0.00 WT2 H ATOM 31069 OH2 TIP3 4287 23.002 20.345 -10.792 1.00 0.00 WT2 O ATOM 31070 H1 TIP3 4287 23.582 20.961 -10.345 1.00 0.00 WT2 H ATOM 31071 H2 TIP3 4287 22.133 20.741 -10.724 1.00 0.00 WT2 H ATOM 31072 OH2 TIP3 4288 34.147 32.696 23.919 1.00 0.00 WT2 O ATOM 31073 H1 TIP3 4288 33.788 32.057 23.303 1.00 0.00 WT2 H ATOM 31074 H2 TIP3 4288 33.972 32.322 24.782 1.00 0.00 WT2 H ATOM 31075 OH2 TIP3 4289 84.831 6.480 45.555 1.00 0.00 WT2 O ATOM 31076 H1 TIP3 4289 85.439 6.566 46.290 1.00 0.00 WT2 H ATOM 31077 H2 TIP3 4289 85.390 6.498 44.778 1.00 0.00 WT2 H ATOM 31078 OH2 TIP3 4290 37.101 95.305 39.281 1.00 0.00 WT2 O ATOM 31079 H1 TIP3 4290 36.404 95.928 39.078 1.00 0.00 WT2 H ATOM 31080 H2 TIP3 4290 36.919 94.550 38.721 1.00 0.00 WT2 H ATOM 31081 OH2 TIP3 4293 70.265 15.222 0.755 1.00 0.00 WT2 O ATOM 31082 H1 TIP3 4293 69.510 15.793 0.897 1.00 0.00 WT2 H ATOM 31083 H2 TIP3 4293 70.167 14.529 1.407 1.00 0.00 WT2 H ATOM 31084 OH2 TIP3 4297 23.811 21.413 16.004 1.00 0.00 WT2 O ATOM 31085 H1 TIP3 4297 23.661 22.207 16.517 1.00 0.00 WT2 H ATOM 31086 H2 TIP3 4297 23.329 20.730 16.472 1.00 0.00 WT2 H ATOM 31087 OH2 TIP3 4304 61.904 3.844 61.676 1.00 0.00 WT2 O ATOM 31088 H1 TIP3 4304 61.626 2.962 61.430 1.00 0.00 WT2 H ATOM 31089 H2 TIP3 4304 62.622 3.706 62.293 1.00 0.00 WT2 H ATOM 31090 OH2 TIP3 4306 29.295 40.168 33.230 1.00 0.00 WT2 O ATOM 31091 H1 TIP3 4306 29.954 40.260 33.917 1.00 0.00 WT2 H ATOM 31092 H2 TIP3 4306 29.068 41.067 32.992 1.00 0.00 WT2 H ATOM 31093 OH2 TIP3 4307 64.645 4.531 -3.922 1.00 0.00 WT2 O ATOM 31094 H1 TIP3 4307 65.270 5.237 -3.759 1.00 0.00 WT2 H ATOM 31095 H2 TIP3 4307 63.929 4.698 -3.309 1.00 0.00 WT2 H ATOM 31096 OH2 TIP3 4311 44.127 14.549 -5.556 1.00 0.00 WT2 O ATOM 31097 H1 TIP3 4311 44.786 14.944 -4.985 1.00 0.00 WT2 H ATOM 31098 H2 TIP3 4311 44.629 14.186 -6.286 1.00 0.00 WT2 H ATOM 31099 OH2 TIP3 4313 34.320 90.392 61.488 1.00 0.00 WT2 O ATOM 31100 H1 TIP3 4313 34.559 89.471 61.383 1.00 0.00 WT2 H ATOM 31101 H2 TIP3 4313 33.944 90.640 60.643 1.00 0.00 WT2 H ATOM 31102 OH2 TIP3 4321 54.005 29.325 50.295 1.00 0.00 WT2 O ATOM 31103 H1 TIP3 4321 53.111 29.104 50.557 1.00 0.00 WT2 H ATOM 31104 H2 TIP3 4321 53.974 29.355 49.338 1.00 0.00 WT2 H ATOM 31105 OH2 TIP3 4328 88.111 27.033 38.878 1.00 0.00 WT2 O ATOM 31106 H1 TIP3 4328 88.503 26.876 39.737 1.00 0.00 WT2 H ATOM 31107 H2 TIP3 4328 87.291 27.488 39.069 1.00 0.00 WT2 H ATOM 31108 OH2 TIP3 4329 31.045 71.270 66.212 1.00 0.00 WT2 O ATOM 31109 H1 TIP3 4329 30.211 70.827 66.059 1.00 0.00 WT2 H ATOM 31110 H2 TIP3 4329 30.935 71.705 67.057 1.00 0.00 WT2 H ATOM 31111 OH2 TIP3 4330 32.904 48.440 55.043 1.00 0.00 WT2 O ATOM 31112 H1 TIP3 4330 32.261 48.707 54.385 1.00 0.00 WT2 H ATOM 31113 H2 TIP3 4330 32.580 48.817 55.861 1.00 0.00 WT2 H ATOM 31114 OH2 TIP3 4332 71.315 48.153 6.354 1.00 0.00 WT2 O ATOM 31115 H1 TIP3 4332 70.585 47.725 6.801 1.00 0.00 WT2 H ATOM 31116 H2 TIP3 4332 71.057 48.166 5.432 1.00 0.00 WT2 H ATOM 31117 OH2 TIP3 4337 22.635 47.658 32.794 1.00 0.00 WT2 O ATOM 31118 H1 TIP3 4337 21.757 47.516 32.442 1.00 0.00 WT2 H ATOM 31119 H2 TIP3 4337 22.839 48.567 32.573 1.00 0.00 WT2 H ATOM 31120 OH2 TIP3 4349 62.658 80.696 -9.621 1.00 0.00 WT2 O ATOM 31121 H1 TIP3 4349 62.903 79.784 -9.775 1.00 0.00 WT2 H ATOM 31122 H2 TIP3 4349 63.464 81.113 -9.315 1.00 0.00 WT2 H ATOM 31123 OH2 TIP3 4350 22.805 54.408 9.229 1.00 0.00 WT2 O ATOM 31124 H1 TIP3 4350 22.995 53.523 8.915 1.00 0.00 WT2 H ATOM 31125 H2 TIP3 4350 23.003 54.378 10.165 1.00 0.00 WT2 H ATOM 31126 OH2 TIP3 4351 43.862 41.715 27.850 1.00 0.00 WT2 O ATOM 31127 H1 TIP3 4351 44.696 41.296 28.064 1.00 0.00 WT2 H ATOM 31128 H2 TIP3 4351 44.081 42.352 27.171 1.00 0.00 WT2 H ATOM 31129 OH2 TIP3 4352 24.415 16.876 -7.629 1.00 0.00 WT2 O ATOM 31130 H1 TIP3 4352 24.859 16.470 -8.374 1.00 0.00 WT2 H ATOM 31131 H2 TIP3 4352 25.121 17.115 -7.029 1.00 0.00 WT2 H ATOM 31132 OH2 TIP3 4353 27.882 13.199 34.082 1.00 0.00 WT2 O ATOM 31133 H1 TIP3 4353 27.511 14.037 33.806 1.00 0.00 WT2 H ATOM 31134 H2 TIP3 4353 28.466 12.947 33.367 1.00 0.00 WT2 H ATOM 31135 OH2 TIP3 4356 55.412 21.631 7.608 1.00 0.00 WT2 O ATOM 31136 H1 TIP3 4356 56.054 22.096 8.145 1.00 0.00 WT2 H ATOM 31137 H2 TIP3 4356 55.762 20.744 7.529 1.00 0.00 WT2 H ATOM 31138 OH2 TIP3 4357 68.633 18.674 61.918 1.00 0.00 WT2 O ATOM 31139 H1 TIP3 4357 69.014 18.724 61.041 1.00 0.00 WT2 H ATOM 31140 H2 TIP3 4357 67.792 18.236 61.790 1.00 0.00 WT2 H ATOM 31141 OH2 TIP3 4363 76.072 53.824 20.013 1.00 0.00 WT2 O ATOM 31142 H1 TIP3 4363 76.149 53.695 20.959 1.00 0.00 WT2 H ATOM 31143 H2 TIP3 4363 75.160 54.081 19.880 1.00 0.00 WT2 H ATOM 31144 OH2 TIP3 4373 23.184 86.610 -11.315 1.00 0.00 WT2 O ATOM 31145 H1 TIP3 4373 22.851 86.341 -12.172 1.00 0.00 WT2 H ATOM 31146 H2 TIP3 4373 22.461 87.096 -10.918 1.00 0.00 WT2 H ATOM 31147 OH2 TIP3 4374 68.967 10.904 -18.013 1.00 0.00 WT2 O ATOM 31148 H1 TIP3 4374 68.688 10.726 -17.115 1.00 0.00 WT2 H ATOM 31149 H2 TIP3 4374 68.796 11.838 -18.136 1.00 0.00 WT2 H ATOM 31150 OH2 TIP3 4387 65.765 86.920 53.146 1.00 0.00 WT2 O ATOM 31151 H1 TIP3 4387 65.689 86.147 53.706 1.00 0.00 WT2 H ATOM 31152 H2 TIP3 4387 66.396 86.667 52.472 1.00 0.00 WT2 H ATOM 31153 OH2 TIP3 4391 73.720 64.374 -8.980 1.00 0.00 WT2 O ATOM 31154 H1 TIP3 4391 73.393 64.010 -9.803 1.00 0.00 WT2 H ATOM 31155 H2 TIP3 4391 72.972 64.331 -8.384 1.00 0.00 WT2 H ATOM 31156 OH2 TIP3 4392 68.172 38.821 23.562 1.00 0.00 WT2 O ATOM 31157 H1 TIP3 4392 68.301 38.984 22.628 1.00 0.00 WT2 H ATOM 31158 H2 TIP3 4392 67.287 38.461 23.623 1.00 0.00 WT2 H ATOM 31159 OH2 TIP3 4393 64.772 50.597 32.412 1.00 0.00 WT2 O ATOM 31160 H1 TIP3 4393 64.226 50.066 32.991 1.00 0.00 WT2 H ATOM 31161 H2 TIP3 4393 64.273 51.405 32.285 1.00 0.00 WT2 H ATOM 31162 OH2 TIP3 4394 35.352 79.689 1.850 1.00 0.00 WT2 O ATOM 31163 H1 TIP3 4394 36.282 79.559 2.039 1.00 0.00 WT2 H ATOM 31164 H2 TIP3 4394 35.309 79.763 0.897 1.00 0.00 WT2 H ATOM 31165 OH2 TIP3 4395 44.924 52.912 37.651 1.00 0.00 WT2 O ATOM 31166 H1 TIP3 4395 45.385 53.177 38.446 1.00 0.00 WT2 H ATOM 31167 H2 TIP3 4395 44.001 53.083 37.840 1.00 0.00 WT2 H ATOM 31168 OH2 TIP3 4399 57.750 30.050 32.911 1.00 0.00 WT2 O ATOM 31169 H1 TIP3 4399 57.446 30.925 33.151 1.00 0.00 WT2 H ATOM 31170 H2 TIP3 4399 58.447 30.205 32.273 1.00 0.00 WT2 H ATOM 31171 OH2 TIP3 4411 59.075 79.313 20.967 1.00 0.00 WT2 O ATOM 31172 H1 TIP3 4411 59.482 78.747 20.311 1.00 0.00 WT2 H ATOM 31173 H2 TIP3 4411 58.149 79.073 20.951 1.00 0.00 WT2 H ATOM 31174 OH2 TIP3 4414 52.968 75.329 64.846 1.00 0.00 WT2 O ATOM 31175 H1 TIP3 4414 52.335 75.039 65.503 1.00 0.00 WT2 H ATOM 31176 H2 TIP3 4414 53.236 76.200 65.138 1.00 0.00 WT2 H ATOM 31177 OH2 TIP3 4417 59.069 86.637 -14.946 1.00 0.00 WT2 O ATOM 31178 H1 TIP3 4417 58.593 85.811 -15.026 1.00 0.00 WT2 H ATOM 31179 H2 TIP3 4417 59.062 86.828 -14.007 1.00 0.00 WT2 H ATOM 31180 OH2 TIP3 4419 27.154 17.304 64.661 1.00 0.00 WT2 O ATOM 31181 H1 TIP3 4419 27.525 18.024 64.151 1.00 0.00 WT2 H ATOM 31182 H2 TIP3 4419 27.898 16.944 65.144 1.00 0.00 WT2 H ATOM 31183 OH2 TIP3 4432 66.707 35.902 -16.878 1.00 0.00 WT2 O ATOM 31184 H1 TIP3 4432 65.802 36.184 -16.743 1.00 0.00 WT2 H ATOM 31185 H2 TIP3 4432 67.003 35.622 -16.012 1.00 0.00 WT2 H ATOM 31186 OH2 TIP3 4434 59.621 59.281 61.912 1.00 0.00 WT2 O ATOM 31187 H1 TIP3 4434 59.576 58.495 61.367 1.00 0.00 WT2 H ATOM 31188 H2 TIP3 4434 58.785 59.723 61.765 1.00 0.00 WT2 H ATOM 31189 OH2 TIP3 4435 62.811 63.953 50.872 1.00 0.00 WT2 O ATOM 31190 H1 TIP3 4435 62.347 63.396 50.247 1.00 0.00 WT2 H ATOM 31191 H2 TIP3 4435 63.121 63.349 51.547 1.00 0.00 WT2 H ATOM 31192 OH2 TIP3 4437 73.550 24.665 47.056 1.00 0.00 WT2 O ATOM 31193 H1 TIP3 4437 73.600 25.612 47.187 1.00 0.00 WT2 H ATOM 31194 H2 TIP3 4437 72.745 24.535 46.553 1.00 0.00 WT2 H ATOM 31195 OH2 TIP3 4438 71.404 69.249 -18.524 1.00 0.00 WT2 O ATOM 31196 H1 TIP3 4438 70.601 69.033 -18.051 1.00 0.00 WT2 H ATOM 31197 H2 TIP3 4438 72.103 68.858 -18.001 1.00 0.00 WT2 H ATOM 31198 OH2 TIP3 4453 35.550 95.771 -9.346 1.00 0.00 WT2 O ATOM 31199 H1 TIP3 4453 35.874 96.405 -9.986 1.00 0.00 WT2 H ATOM 31200 H2 TIP3 4453 36.339 95.359 -8.996 1.00 0.00 WT2 H ATOM 31201 OH2 TIP3 4454 24.383 61.741 57.838 1.00 0.00 WT2 O ATOM 31202 H1 TIP3 4454 24.201 62.341 57.114 1.00 0.00 WT2 H ATOM 31203 H2 TIP3 4454 25.286 61.935 58.090 1.00 0.00 WT2 H ATOM 31204 OH2 TIP3 4455 63.468 18.740 12.118 1.00 0.00 WT2 O ATOM 31205 H1 TIP3 4455 63.661 17.812 12.254 1.00 0.00 WT2 H ATOM 31206 H2 TIP3 4455 63.636 19.147 12.968 1.00 0.00 WT2 H ATOM 31207 OH2 TIP3 4457 81.507 33.362 33.265 1.00 0.00 WT2 O ATOM 31208 H1 TIP3 4457 80.709 33.864 33.103 1.00 0.00 WT2 H ATOM 31209 H2 TIP3 4457 82.197 34.023 33.329 1.00 0.00 WT2 H ATOM 31210 OH2 TIP3 4461 32.157 29.702 44.124 1.00 0.00 WT2 O ATOM 31211 H1 TIP3 4461 31.813 30.306 44.782 1.00 0.00 WT2 H ATOM 31212 H2 TIP3 4461 33.055 29.996 43.974 1.00 0.00 WT2 H ATOM 31213 OH2 TIP3 4473 80.756 85.457 41.561 1.00 0.00 WT2 O ATOM 31214 H1 TIP3 4473 79.934 85.094 41.232 1.00 0.00 WT2 H ATOM 31215 H2 TIP3 4473 80.490 86.083 42.234 1.00 0.00 WT2 H ATOM 31216 OH2 TIP3 4474 74.817 92.411 59.899 1.00 0.00 WT2 O ATOM 31217 H1 TIP3 4474 74.709 93.241 59.435 1.00 0.00 WT2 H ATOM 31218 H2 TIP3 4474 74.021 91.919 59.698 1.00 0.00 WT2 H ATOM 31219 OH2 TIP3 4477 52.583 92.555 -19.282 1.00 0.00 WT2 O ATOM 31220 H1 TIP3 4477 53.118 91.870 -18.881 1.00 0.00 WT2 H ATOM 31221 H2 TIP3 4477 52.977 92.695 -20.143 1.00 0.00 WT2 H ATOM 31222 OH2 TIP3 4478 59.836 63.802 -20.025 1.00 0.00 WT2 O ATOM 31223 H1 TIP3 4478 59.129 63.209 -20.280 1.00 0.00 WT2 H ATOM 31224 H2 TIP3 4478 60.006 63.590 -19.107 1.00 0.00 WT2 H ATOM 31225 OH2 TIP3 4479 44.089 32.369 41.134 1.00 0.00 WT2 O ATOM 31226 H1 TIP3 4479 43.240 32.153 41.520 1.00 0.00 WT2 H ATOM 31227 H2 TIP3 4479 43.925 33.164 40.626 1.00 0.00 WT2 H ATOM 31228 OH2 TIP3 4480 31.228 92.265 21.247 1.00 0.00 WT2 O ATOM 31229 H1 TIP3 4480 31.520 93.164 21.400 1.00 0.00 WT2 H ATOM 31230 H2 TIP3 4480 31.177 91.878 22.121 1.00 0.00 WT2 H ATOM 31231 OH2 TIP3 4481 67.953 12.562 64.037 1.00 0.00 WT2 O ATOM 31232 H1 TIP3 4481 68.468 12.961 63.336 1.00 0.00 WT2 H ATOM 31233 H2 TIP3 4481 67.896 11.637 63.796 1.00 0.00 WT2 H ATOM 31234 OH2 TIP3 4496 47.871 11.766 -7.896 1.00 0.00 WT2 O ATOM 31235 H1 TIP3 4496 47.506 12.559 -7.503 1.00 0.00 WT2 H ATOM 31236 H2 TIP3 4496 48.127 11.224 -7.151 1.00 0.00 WT2 H ATOM 31237 OH2 TIP3 4497 45.477 50.199 32.234 1.00 0.00 WT2 O ATOM 31238 H1 TIP3 4497 45.067 49.838 31.449 1.00 0.00 WT2 H ATOM 31239 H2 TIP3 4497 45.563 49.452 32.826 1.00 0.00 WT2 H ATOM 31240 OH2 TIP3 4499 82.753 38.281 -5.525 1.00 0.00 WT2 O ATOM 31241 H1 TIP3 4499 82.126 38.501 -4.835 1.00 0.00 WT2 H ATOM 31242 H2 TIP3 4499 83.510 37.929 -5.057 1.00 0.00 WT2 H ATOM 31243 OH2 TIP3 4500 64.558 69.156 58.924 1.00 0.00 WT2 O ATOM 31244 H1 TIP3 4500 64.864 68.250 58.896 1.00 0.00 WT2 H ATOM 31245 H2 TIP3 4500 65.181 69.637 58.378 1.00 0.00 WT2 H ATOM 31246 OH2 TIP3 4501 48.342 50.152 63.975 1.00 0.00 WT2 O ATOM 31247 H1 TIP3 4501 47.866 49.454 64.424 1.00 0.00 WT2 H ATOM 31248 H2 TIP3 4501 48.708 49.731 63.197 1.00 0.00 WT2 H ATOM 31249 OH2 TIP3 4513 28.166 70.060 41.884 1.00 0.00 WT2 O ATOM 31250 H1 TIP3 4513 28.870 69.579 41.451 1.00 0.00 WT2 H ATOM 31251 H2 TIP3 4513 27.381 69.839 41.384 1.00 0.00 WT2 H ATOM 31252 OH2 TIP3 4515 29.267 28.603 45.365 1.00 0.00 WT2 O ATOM 31253 H1 TIP3 4515 29.592 28.320 44.510 1.00 0.00 WT2 H ATOM 31254 H2 TIP3 4515 29.294 29.560 45.327 1.00 0.00 WT2 H ATOM 31255 OH2 TIP3 4516 39.732 37.615 -1.961 1.00 0.00 WT2 O ATOM 31256 H1 TIP3 4516 40.614 37.627 -2.332 1.00 0.00 WT2 H ATOM 31257 H2 TIP3 4516 39.447 38.529 -1.990 1.00 0.00 WT2 H ATOM 31258 OH2 TIP3 4517 32.939 76.987 -1.918 1.00 0.00 WT2 O ATOM 31259 H1 TIP3 4517 32.648 76.300 -2.518 1.00 0.00 WT2 H ATOM 31260 H2 TIP3 4517 33.580 76.556 -1.353 1.00 0.00 WT2 H ATOM 31261 OH2 TIP3 4518 38.913 21.970 39.784 1.00 0.00 WT2 O ATOM 31262 H1 TIP3 4518 38.537 21.513 39.032 1.00 0.00 WT2 H ATOM 31263 H2 TIP3 4518 39.481 22.637 39.399 1.00 0.00 WT2 H ATOM 31264 OH2 TIP3 4519 65.586 47.073 48.354 1.00 0.00 WT2 O ATOM 31265 H1 TIP3 4519 65.661 46.386 47.691 1.00 0.00 WT2 H ATOM 31266 H2 TIP3 4519 64.946 47.686 47.993 1.00 0.00 WT2 H ATOM 31267 OH2 TIP3 4523 30.997 92.044 33.732 1.00 0.00 WT2 O ATOM 31268 H1 TIP3 4523 30.310 92.029 33.066 1.00 0.00 WT2 H ATOM 31269 H2 TIP3 4523 30.786 91.313 34.313 1.00 0.00 WT2 H ATOM 31270 OH2 TIP3 4524 25.008 76.137 44.150 1.00 0.00 WT2 O ATOM 31271 H1 TIP3 4524 24.169 75.799 43.836 1.00 0.00 WT2 H ATOM 31272 H2 TIP3 4524 24.777 76.706 44.884 1.00 0.00 WT2 H ATOM 31273 OH2 TIP3 4536 88.932 45.129 44.973 1.00 0.00 WT2 O ATOM 31274 H1 TIP3 4536 88.222 45.387 45.561 1.00 0.00 WT2 H ATOM 31275 H2 TIP3 4536 89.591 44.740 45.549 1.00 0.00 WT2 H ATOM 31276 OH2 TIP3 4537 85.548 92.447 43.508 1.00 0.00 WT2 O ATOM 31277 H1 TIP3 4537 85.735 91.772 42.856 1.00 0.00 WT2 H ATOM 31278 H2 TIP3 4537 84.667 92.753 43.291 1.00 0.00 WT2 H ATOM 31279 OH2 TIP3 4538 79.872 44.377 54.335 1.00 0.00 WT2 O ATOM 31280 H1 TIP3 4538 79.751 44.446 53.388 1.00 0.00 WT2 H ATOM 31281 H2 TIP3 4538 80.310 45.191 54.581 1.00 0.00 WT2 H ATOM 31282 OH2 TIP3 4540 64.865 37.062 52.265 1.00 0.00 WT2 O ATOM 31283 H1 TIP3 4540 64.235 37.113 52.984 1.00 0.00 WT2 H ATOM 31284 H2 TIP3 4540 64.861 36.140 52.008 1.00 0.00 WT2 H ATOM 31285 OH2 TIP3 4544 88.500 32.517 10.208 1.00 0.00 WT2 O ATOM 31286 H1 TIP3 4544 89.259 32.383 10.776 1.00 0.00 WT2 H ATOM 31287 H2 TIP3 4544 87.839 32.909 10.779 1.00 0.00 WT2 H ATOM 31288 OH2 TIP3 4553 23.537 78.280 50.953 1.00 0.00 WT2 O ATOM 31289 H1 TIP3 4553 23.601 79.213 51.159 1.00 0.00 WT2 H ATOM 31290 H2 TIP3 4553 23.463 77.851 51.806 1.00 0.00 WT2 H ATOM 31291 OH2 TIP3 4558 55.323 62.112 -2.642 1.00 0.00 WT2 O ATOM 31292 H1 TIP3 4558 54.478 61.864 -2.268 1.00 0.00 WT2 H ATOM 31293 H2 TIP3 4558 55.778 62.563 -1.931 1.00 0.00 WT2 H ATOM 31294 OH2 TIP3 4559 31.447 14.843 26.643 1.00 0.00 WT2 O ATOM 31295 H1 TIP3 4559 31.062 15.554 27.156 1.00 0.00 WT2 H ATOM 31296 H2 TIP3 4559 31.602 15.227 25.780 1.00 0.00 WT2 H ATOM 31297 OH2 TIP3 4560 45.777 35.997 26.984 1.00 0.00 WT2 O ATOM 31298 H1 TIP3 4560 45.426 35.943 26.095 1.00 0.00 WT2 H ATOM 31299 H2 TIP3 4560 45.016 35.867 27.550 1.00 0.00 WT2 H ATOM 31300 OH2 TIP3 4561 41.676 87.341 0.283 1.00 0.00 WT2 O ATOM 31301 H1 TIP3 4561 42.412 87.942 0.394 1.00 0.00 WT2 H ATOM 31302 H2 TIP3 4561 41.015 87.654 0.900 1.00 0.00 WT2 H ATOM 31303 OH2 TIP3 4562 65.566 11.545 34.272 1.00 0.00 WT2 O ATOM 31304 H1 TIP3 4562 64.732 11.869 33.930 1.00 0.00 WT2 H ATOM 31305 H2 TIP3 4562 65.914 10.993 33.572 1.00 0.00 WT2 H ATOM 31306 OH2 TIP3 4563 71.960 93.496 -13.301 1.00 0.00 WT2 O ATOM 31307 H1 TIP3 4563 72.615 93.187 -13.927 1.00 0.00 WT2 H ATOM 31308 H2 TIP3 4563 71.208 92.920 -13.437 1.00 0.00 WT2 H ATOM 31309 OH2 TIP3 4565 89.590 36.333 36.560 1.00 0.00 WT2 O ATOM 31310 H1 TIP3 4565 88.921 36.504 35.897 1.00 0.00 WT2 H ATOM 31311 H2 TIP3 4565 89.659 37.154 37.047 1.00 0.00 WT2 H ATOM 31312 OH2 TIP3 4569 40.619 51.462 -4.530 1.00 0.00 WT2 O ATOM 31313 H1 TIP3 4569 39.704 51.547 -4.264 1.00 0.00 WT2 H ATOM 31314 H2 TIP3 4569 40.871 50.582 -4.250 1.00 0.00 WT2 H ATOM 31315 OH2 TIP3 4578 64.975 61.471 -12.162 1.00 0.00 WT2 O ATOM 31316 H1 TIP3 4578 65.392 61.491 -11.301 1.00 0.00 WT2 H ATOM 31317 H2 TIP3 4578 64.233 62.071 -12.083 1.00 0.00 WT2 H ATOM 31318 OH2 TIP3 4581 31.010 44.448 38.699 1.00 0.00 WT2 O ATOM 31319 H1 TIP3 4581 31.757 43.865 38.567 1.00 0.00 WT2 H ATOM 31320 H2 TIP3 4581 30.935 44.530 39.650 1.00 0.00 WT2 H ATOM 31321 OH2 TIP3 4582 22.798 85.656 33.691 1.00 0.00 WT2 O ATOM 31322 H1 TIP3 4582 23.119 86.474 34.071 1.00 0.00 WT2 H ATOM 31323 H2 TIP3 4582 22.694 85.068 34.439 1.00 0.00 WT2 H ATOM 31324 OH2 TIP3 4586 65.654 40.645 25.459 1.00 0.00 WT2 O ATOM 31325 H1 TIP3 4586 65.012 41.031 26.054 1.00 0.00 WT2 H ATOM 31326 H2 TIP3 4586 65.145 40.389 24.690 1.00 0.00 WT2 H ATOM 31327 OH2 TIP3 4599 24.952 12.930 -4.389 1.00 0.00 WT2 O ATOM 31328 H1 TIP3 4599 25.157 13.427 -3.597 1.00 0.00 WT2 H ATOM 31329 H2 TIP3 4599 24.751 13.596 -5.046 1.00 0.00 WT2 H ATOM 31330 OH2 TIP3 4600 85.788 47.079 35.946 1.00 0.00 WT2 O ATOM 31331 H1 TIP3 4600 84.898 46.802 35.728 1.00 0.00 WT2 H ATOM 31332 H2 TIP3 4600 85.801 47.115 36.902 1.00 0.00 WT2 H ATOM 31333 OH2 TIP3 4602 34.208 69.858 26.725 1.00 0.00 WT2 O ATOM 31334 H1 TIP3 4602 33.906 70.708 26.404 1.00 0.00 WT2 H ATOM 31335 H2 TIP3 4602 35.133 69.823 26.478 1.00 0.00 WT2 H ATOM 31336 OH2 TIP3 4603 47.956 77.624 50.030 1.00 0.00 WT2 O ATOM 31337 H1 TIP3 4603 48.522 76.979 50.456 1.00 0.00 WT2 H ATOM 31338 H2 TIP3 4603 48.320 77.718 49.150 1.00 0.00 WT2 H ATOM 31339 OH2 TIP3 4621 44.387 13.696 46.103 1.00 0.00 WT2 O ATOM 31340 H1 TIP3 4621 45.143 14.110 46.519 1.00 0.00 WT2 H ATOM 31341 H2 TIP3 4621 43.806 14.425 45.883 1.00 0.00 WT2 H ATOM 31342 OH2 TIP3 4622 89.468 32.758 -14.074 1.00 0.00 WT2 O ATOM 31343 H1 TIP3 4622 90.007 31.983 -14.235 1.00 0.00 WT2 H ATOM 31344 H2 TIP3 4622 88.646 32.410 -13.728 1.00 0.00 WT2 H ATOM 31345 OH2 TIP3 4623 57.161 38.370 -17.913 1.00 0.00 WT2 O ATOM 31346 H1 TIP3 4623 57.070 38.342 -18.865 1.00 0.00 WT2 H ATOM 31347 H2 TIP3 4623 56.384 38.840 -17.611 1.00 0.00 WT2 H ATOM 31348 OH2 TIP3 4625 20.718 24.239 34.707 1.00 0.00 WT2 O ATOM 31349 H1 TIP3 4625 20.138 24.797 35.225 1.00 0.00 WT2 H ATOM 31350 H2 TIP3 4625 21.553 24.261 35.174 1.00 0.00 WT2 H ATOM 31351 OH2 TIP3 4627 45.329 48.843 64.615 1.00 0.00 WT2 O ATOM 31352 H1 TIP3 4627 45.692 48.062 65.033 1.00 0.00 WT2 H ATOM 31353 H2 TIP3 4627 44.386 48.679 64.578 1.00 0.00 WT2 H ATOM 31354 OH2 TIP3 4628 69.239 52.941 15.431 1.00 0.00 WT2 O ATOM 31355 H1 TIP3 4628 69.338 52.073 15.042 1.00 0.00 WT2 H ATOM 31356 H2 TIP3 4628 68.293 53.082 15.467 1.00 0.00 WT2 H ATOM 31357 OH2 TIP3 4641 40.584 49.373 37.932 1.00 0.00 WT2 O ATOM 31358 H1 TIP3 4641 39.979 50.022 37.573 1.00 0.00 WT2 H ATOM 31359 H2 TIP3 4641 41.399 49.513 37.449 1.00 0.00 WT2 H ATOM 31360 OH2 TIP3 4643 27.442 90.723 53.384 1.00 0.00 WT2 O ATOM 31361 H1 TIP3 4643 26.848 89.973 53.394 1.00 0.00 WT2 H ATOM 31362 H2 TIP3 4643 27.605 90.913 54.308 1.00 0.00 WT2 H ATOM 31363 OH2 TIP3 4644 46.699 40.032 33.650 1.00 0.00 WT2 O ATOM 31364 H1 TIP3 4644 47.425 39.615 33.186 1.00 0.00 WT2 H ATOM 31365 H2 TIP3 4644 45.961 39.974 33.042 1.00 0.00 WT2 H ATOM 31366 OH2 TIP3 4645 51.760 58.598 7.743 1.00 0.00 WT2 O ATOM 31367 H1 TIP3 4645 52.123 59.219 8.375 1.00 0.00 WT2 H ATOM 31368 H2 TIP3 4645 52.421 57.909 7.677 1.00 0.00 WT2 H ATOM 31369 OH2 TIP3 4647 46.713 25.283 44.377 1.00 0.00 WT2 O ATOM 31370 H1 TIP3 4647 47.068 26.006 44.893 1.00 0.00 WT2 H ATOM 31371 H2 TIP3 4647 46.377 25.698 43.582 1.00 0.00 WT2 H ATOM 31372 OH2 TIP3 4648 58.171 84.681 61.359 1.00 0.00 WT2 O ATOM 31373 H1 TIP3 4648 58.054 83.806 61.727 1.00 0.00 WT2 H ATOM 31374 H2 TIP3 4648 58.627 84.534 60.530 1.00 0.00 WT2 H ATOM 31375 OH2 TIP3 4661 37.728 50.132 25.244 1.00 0.00 WT2 O ATOM 31376 H1 TIP3 4661 37.215 49.389 24.927 1.00 0.00 WT2 H ATOM 31377 H2 TIP3 4661 38.510 50.136 24.693 1.00 0.00 WT2 H ATOM 31378 OH2 TIP3 4663 25.220 43.973 19.723 1.00 0.00 WT2 O ATOM 31379 H1 TIP3 4663 24.385 43.651 20.062 1.00 0.00 WT2 H ATOM 31380 H2 TIP3 4663 25.386 44.776 20.217 1.00 0.00 WT2 H ATOM 31381 OH2 TIP3 4664 71.824 43.961 40.112 1.00 0.00 WT2 O ATOM 31382 H1 TIP3 4664 70.988 43.808 39.671 1.00 0.00 WT2 H ATOM 31383 H2 TIP3 4664 71.937 44.911 40.089 1.00 0.00 WT2 H ATOM 31384 OH2 TIP3 4665 61.786 30.664 -8.252 1.00 0.00 WT2 O ATOM 31385 H1 TIP3 4665 61.228 31.029 -7.566 1.00 0.00 WT2 H ATOM 31386 H2 TIP3 4665 61.583 29.728 -8.255 1.00 0.00 WT2 H ATOM 31387 OH2 TIP3 4666 75.700 37.001 -2.869 1.00 0.00 WT2 O ATOM 31388 H1 TIP3 4666 75.240 36.249 -3.241 1.00 0.00 WT2 H ATOM 31389 H2 TIP3 4666 76.584 36.946 -3.232 1.00 0.00 WT2 H ATOM 31390 OH2 TIP3 4667 39.858 39.146 -14.720 1.00 0.00 WT2 O ATOM 31391 H1 TIP3 4667 40.673 39.620 -14.888 1.00 0.00 WT2 H ATOM 31392 H2 TIP3 4667 40.095 38.485 -14.069 1.00 0.00 WT2 H ATOM 31393 OH2 TIP3 4668 57.763 94.703 12.451 1.00 0.00 WT2 O ATOM 31394 H1 TIP3 4668 57.869 95.364 11.767 1.00 0.00 WT2 H ATOM 31395 H2 TIP3 4668 58.651 94.540 12.767 1.00 0.00 WT2 H ATOM 31396 OH2 TIP3 4670 77.852 79.958 47.294 1.00 0.00 WT2 O ATOM 31397 H1 TIP3 4670 78.304 79.944 46.451 1.00 0.00 WT2 H ATOM 31398 H2 TIP3 4670 78.512 79.674 47.926 1.00 0.00 WT2 H ATOM 31399 OH2 TIP3 4673 65.653 39.533 43.568 1.00 0.00 WT2 O ATOM 31400 H1 TIP3 4673 65.051 39.031 43.019 1.00 0.00 WT2 H ATOM 31401 H2 TIP3 4673 65.129 39.788 44.328 1.00 0.00 WT2 H ATOM 31402 OH2 TIP3 4675 69.046 45.749 62.123 1.00 0.00 WT2 O ATOM 31403 H1 TIP3 4675 69.973 45.952 61.995 1.00 0.00 WT2 H ATOM 31404 H2 TIP3 4675 68.582 46.414 61.616 1.00 0.00 WT2 H ATOM 31405 OH2 TIP3 4685 53.999 7.106 49.382 1.00 0.00 WT2 O ATOM 31406 H1 TIP3 4685 54.456 7.114 50.222 1.00 0.00 WT2 H ATOM 31407 H2 TIP3 4685 54.328 7.877 48.921 1.00 0.00 WT2 H ATOM 31408 OH2 TIP3 4686 82.197 46.529 5.059 1.00 0.00 WT2 O ATOM 31409 H1 TIP3 4686 81.503 47.169 5.210 1.00 0.00 WT2 H ATOM 31410 H2 TIP3 4686 82.230 46.014 5.865 1.00 0.00 WT2 H ATOM 31411 OH2 TIP3 4687 66.371 9.228 -6.478 1.00 0.00 WT2 O ATOM 31412 H1 TIP3 4687 67.123 9.769 -6.235 1.00 0.00 WT2 H ATOM 31413 H2 TIP3 4687 65.611 9.725 -6.178 1.00 0.00 WT2 H ATOM 31414 OH2 TIP3 4690 86.488 91.924 6.965 1.00 0.00 WT2 O ATOM 31415 H1 TIP3 4690 86.815 91.121 7.370 1.00 0.00 WT2 H ATOM 31416 H2 TIP3 4690 87.232 92.263 6.468 1.00 0.00 WT2 H ATOM 31417 OH2 TIP3 4694 23.110 22.491 -0.682 1.00 0.00 WT2 O ATOM 31418 H1 TIP3 4694 23.473 23.031 0.019 1.00 0.00 WT2 H ATOM 31419 H2 TIP3 4694 22.217 22.814 -0.798 1.00 0.00 WT2 H ATOM 31420 OH2 TIP3 4704 55.359 63.741 21.206 1.00 0.00 WT2 O ATOM 31421 H1 TIP3 4704 56.020 63.937 20.542 1.00 0.00 WT2 H ATOM 31422 H2 TIP3 4704 54.951 62.929 20.906 1.00 0.00 WT2 H ATOM 31423 OH2 TIP3 4706 53.989 7.761 -15.631 1.00 0.00 WT2 O ATOM 31424 H1 TIP3 4706 53.051 7.941 -15.699 1.00 0.00 WT2 H ATOM 31425 H2 TIP3 4706 54.115 6.954 -16.130 1.00 0.00 WT2 H ATOM 31426 OH2 TIP3 4707 68.377 41.370 47.676 1.00 0.00 WT2 O ATOM 31427 H1 TIP3 4707 68.922 42.091 47.360 1.00 0.00 WT2 H ATOM 31428 H2 TIP3 4707 67.900 41.073 46.902 1.00 0.00 WT2 H ATOM 31429 OH2 TIP3 4708 84.770 44.603 -16.746 1.00 0.00 WT2 O ATOM 31430 H1 TIP3 4708 84.255 44.323 -15.989 1.00 0.00 WT2 H ATOM 31431 H2 TIP3 4708 84.122 44.930 -17.370 1.00 0.00 WT2 H ATOM 31432 OH2 TIP3 4710 23.998 93.393 -19.105 1.00 0.00 WT2 O ATOM 31433 H1 TIP3 4710 24.028 93.705 -20.010 1.00 0.00 WT2 H ATOM 31434 H2 TIP3 4710 23.501 92.576 -19.150 1.00 0.00 WT2 H ATOM 31435 OH2 TIP3 4713 59.934 47.773 39.361 1.00 0.00 WT2 O ATOM 31436 H1 TIP3 4713 60.624 47.554 39.988 1.00 0.00 WT2 H ATOM 31437 H2 TIP3 4713 59.473 48.511 39.760 1.00 0.00 WT2 H ATOM 31438 OH2 TIP3 4725 20.448 68.103 -8.371 1.00 0.00 WT2 O ATOM 31439 H1 TIP3 4725 20.910 68.867 -8.025 1.00 0.00 WT2 H ATOM 31440 H2 TIP3 4725 21.115 67.619 -8.857 1.00 0.00 WT2 H ATOM 31441 OH2 TIP3 4727 73.470 51.151 -7.146 1.00 0.00 WT2 O ATOM 31442 H1 TIP3 4727 73.465 51.733 -6.386 1.00 0.00 WT2 H ATOM 31443 H2 TIP3 4727 73.586 50.276 -6.777 1.00 0.00 WT2 H ATOM 31444 OH2 TIP3 4732 25.668 44.080 -12.339 1.00 0.00 WT2 O ATOM 31445 H1 TIP3 4732 24.857 44.135 -11.834 1.00 0.00 WT2 H ATOM 31446 H2 TIP3 4732 26.225 44.768 -11.975 1.00 0.00 WT2 H ATOM 31447 OH2 TIP3 4748 68.659 55.108 11.358 1.00 0.00 WT2 O ATOM 31448 H1 TIP3 4748 67.745 55.195 11.629 1.00 0.00 WT2 H ATOM 31449 H2 TIP3 4748 68.987 54.359 11.856 1.00 0.00 WT2 H ATOM 31450 OH2 TIP3 4750 37.788 55.214 64.975 1.00 0.00 WT2 O ATOM 31451 H1 TIP3 4750 38.127 54.326 64.861 1.00 0.00 WT2 H ATOM 31452 H2 TIP3 4750 37.128 55.308 64.287 1.00 0.00 WT2 H ATOM 31453 OH2 TIP3 4751 41.311 54.040 32.819 1.00 0.00 WT2 O ATOM 31454 H1 TIP3 4751 41.104 54.581 32.057 1.00 0.00 WT2 H ATOM 31455 H2 TIP3 4751 42.205 53.737 32.661 1.00 0.00 WT2 H ATOM 31456 OH2 TIP3 4767 23.993 59.364 1.066 1.00 0.00 WT2 O ATOM 31457 H1 TIP3 4767 24.844 59.584 1.445 1.00 0.00 WT2 H ATOM 31458 H2 TIP3 4767 23.602 58.754 1.692 1.00 0.00 WT2 H ATOM 31459 OH2 TIP3 4768 57.864 75.768 56.829 1.00 0.00 WT2 O ATOM 31460 H1 TIP3 4768 57.515 76.486 56.300 1.00 0.00 WT2 H ATOM 31461 H2 TIP3 4768 57.573 75.962 57.720 1.00 0.00 WT2 H ATOM 31462 OH2 TIP3 4770 45.341 12.583 2.263 1.00 0.00 WT2 O ATOM 31463 H1 TIP3 4770 44.702 13.108 1.781 1.00 0.00 WT2 H ATOM 31464 H2 TIP3 4770 44.879 12.312 3.057 1.00 0.00 WT2 H ATOM 31465 OH2 TIP3 4774 51.163 55.784 47.676 1.00 0.00 WT2 O ATOM 31466 H1 TIP3 4774 50.580 56.531 47.537 1.00 0.00 WT2 H ATOM 31467 H2 TIP3 4774 50.979 55.196 46.944 1.00 0.00 WT2 H ATOM 31468 OH2 TIP3 4787 28.340 28.372 51.146 1.00 0.00 WT2 O ATOM 31469 H1 TIP3 4787 27.473 28.308 50.746 1.00 0.00 WT2 H ATOM 31470 H2 TIP3 4787 28.376 29.261 51.500 1.00 0.00 WT2 H ATOM 31471 OH2 TIP3 4790 85.367 84.419 45.301 1.00 0.00 WT2 O ATOM 31472 H1 TIP3 4790 84.488 84.312 45.663 1.00 0.00 WT2 H ATOM 31473 H2 TIP3 4790 85.365 83.889 44.503 1.00 0.00 WT2 H ATOM 31474 OH2 TIP3 4791 34.057 3.693 53.532 1.00 0.00 WT2 O ATOM 31475 H1 TIP3 4791 34.780 4.056 54.044 1.00 0.00 WT2 H ATOM 31476 H2 TIP3 4791 34.055 4.206 52.724 1.00 0.00 WT2 H ATOM 31477 OH2 TIP3 4792 49.187 66.837 -14.749 1.00 0.00 WT2 O ATOM 31478 H1 TIP3 4792 49.296 65.887 -14.795 1.00 0.00 WT2 H ATOM 31479 H2 TIP3 4792 48.252 66.964 -14.592 1.00 0.00 WT2 H ATOM 31480 OH2 TIP3 4793 22.598 83.033 60.274 1.00 0.00 WT2 O ATOM 31481 H1 TIP3 4793 22.418 83.254 61.187 1.00 0.00 WT2 H ATOM 31482 H2 TIP3 4793 23.551 82.946 60.231 1.00 0.00 WT2 H ATOM 31483 OH2 TIP3 4794 61.103 25.617 44.372 1.00 0.00 WT2 O ATOM 31484 H1 TIP3 4794 61.492 25.075 43.686 1.00 0.00 WT2 H ATOM 31485 H2 TIP3 4794 60.230 25.831 44.043 1.00 0.00 WT2 H ATOM 31486 OH2 TIP3 4808 46.997 48.298 46.160 1.00 0.00 WT2 O ATOM 31487 H1 TIP3 4808 47.600 48.692 45.529 1.00 0.00 WT2 H ATOM 31488 H2 TIP3 4808 47.069 48.850 46.938 1.00 0.00 WT2 H ATOM 31489 OH2 TIP3 4809 52.554 67.149 47.089 1.00 0.00 WT2 O ATOM 31490 H1 TIP3 4809 52.528 67.486 46.194 1.00 0.00 WT2 H ATOM 31491 H2 TIP3 4809 53.205 66.447 47.062 1.00 0.00 WT2 H ATOM 31492 OH2 TIP3 4811 41.945 70.401 -11.922 1.00 0.00 WT2 O ATOM 31493 H1 TIP3 4811 41.227 70.102 -12.480 1.00 0.00 WT2 H ATOM 31494 H2 TIP3 4811 41.534 70.574 -11.075 1.00 0.00 WT2 H ATOM 31495 OH2 TIP3 4813 32.629 89.517 59.543 1.00 0.00 WT2 O ATOM 31496 H1 TIP3 4813 31.753 89.176 59.725 1.00 0.00 WT2 H ATOM 31497 H2 TIP3 4813 33.053 88.827 59.032 1.00 0.00 WT2 H ATOM 31498 OH2 TIP3 4816 79.958 42.682 7.624 1.00 0.00 WT2 O ATOM 31499 H1 TIP3 4816 79.387 42.671 8.391 1.00 0.00 WT2 H ATOM 31500 H2 TIP3 4816 79.590 43.363 7.060 1.00 0.00 WT2 H ATOM 31501 OH2 TIP3 4832 75.829 62.293 57.890 1.00 0.00 WT2 O ATOM 31502 H1 TIP3 4832 75.311 62.585 57.140 1.00 0.00 WT2 H ATOM 31503 H2 TIP3 4832 76.091 63.101 58.330 1.00 0.00 WT2 H ATOM 31504 OH2 TIP3 4834 48.663 20.429 30.343 1.00 0.00 WT2 O ATOM 31505 H1 TIP3 4834 47.959 21.059 30.502 1.00 0.00 WT2 H ATOM 31506 H2 TIP3 4834 48.663 20.303 29.395 1.00 0.00 WT2 H ATOM 31507 OH2 TIP3 4835 28.480 9.445 -4.189 1.00 0.00 WT2 O ATOM 31508 H1 TIP3 4835 27.933 10.146 -3.835 1.00 0.00 WT2 H ATOM 31509 H2 TIP3 4835 27.898 8.956 -4.770 1.00 0.00 WT2 H ATOM 31510 OH2 TIP3 4836 24.449 90.467 12.286 1.00 0.00 WT2 O ATOM 31511 H1 TIP3 4836 24.157 89.603 12.577 1.00 0.00 WT2 H ATOM 31512 H2 TIP3 4836 24.119 91.069 12.954 1.00 0.00 WT2 H ATOM 31513 OH2 TIP3 4839 42.170 19.477 53.640 1.00 0.00 WT2 O ATOM 31514 H1 TIP3 4839 43.103 19.525 53.847 1.00 0.00 WT2 H ATOM 31515 H2 TIP3 4839 42.079 19.971 52.826 1.00 0.00 WT2 H ATOM 31516 OH2 TIP3 4841 73.480 56.543 50.598 1.00 0.00 WT2 O ATOM 31517 H1 TIP3 4841 73.818 56.363 49.720 1.00 0.00 WT2 H ATOM 31518 H2 TIP3 4841 72.915 57.307 50.486 1.00 0.00 WT2 H ATOM 31519 OH2 TIP3 4849 89.567 9.500 33.200 1.00 0.00 WT2 O ATOM 31520 H1 TIP3 4849 89.223 10.232 33.713 1.00 0.00 WT2 H ATOM 31521 H2 TIP3 4849 90.143 9.909 32.554 1.00 0.00 WT2 H ATOM 31522 OH2 TIP3 4851 35.479 31.463 35.855 1.00 0.00 WT2 O ATOM 31523 H1 TIP3 4851 35.412 30.515 35.742 1.00 0.00 WT2 H ATOM 31524 H2 TIP3 4851 34.584 31.747 36.040 1.00 0.00 WT2 H ATOM 31525 OH2 TIP3 4853 50.168 3.408 57.589 1.00 0.00 WT2 O ATOM 31526 H1 TIP3 4853 49.233 3.363 57.390 1.00 0.00 WT2 H ATOM 31527 H2 TIP3 4853 50.330 2.652 58.155 1.00 0.00 WT2 H ATOM 31528 OH2 TIP3 4854 53.627 94.001 35.096 1.00 0.00 WT2 O ATOM 31529 H1 TIP3 4854 53.189 93.893 34.252 1.00 0.00 WT2 H ATOM 31530 H2 TIP3 4854 53.846 93.110 35.368 1.00 0.00 WT2 H ATOM 31531 OH2 TIP3 4855 23.742 81.046 -12.184 1.00 0.00 WT2 O ATOM 31532 H1 TIP3 4855 24.399 81.591 -12.617 1.00 0.00 WT2 H ATOM 31533 H2 TIP3 4855 24.061 80.151 -12.296 1.00 0.00 WT2 H ATOM 31534 OH2 TIP3 4857 66.008 2.693 50.035 1.00 0.00 WT2 O ATOM 31535 H1 TIP3 4857 66.330 1.840 49.742 1.00 0.00 WT2 H ATOM 31536 H2 TIP3 4857 66.757 3.095 50.475 1.00 0.00 WT2 H ATOM 31537 OH2 TIP3 4859 36.171 35.200 -7.395 1.00 0.00 WT2 O ATOM 31538 H1 TIP3 4859 37.095 34.968 -7.485 1.00 0.00 WT2 H ATOM 31539 H2 TIP3 4859 35.826 34.571 -6.761 1.00 0.00 WT2 H ATOM 31540 OH2 TIP3 4863 81.665 3.044 62.922 1.00 0.00 WT2 O ATOM 31541 H1 TIP3 4863 81.217 2.837 63.742 1.00 0.00 WT2 H ATOM 31542 H2 TIP3 4863 81.983 3.939 63.042 1.00 0.00 WT2 H ATOM 31543 OH2 TIP3 4872 32.240 21.164 -16.212 1.00 0.00 WT2 O ATOM 31544 H1 TIP3 4872 31.802 21.147 -15.361 1.00 0.00 WT2 H ATOM 31545 H2 TIP3 4872 31.531 21.270 -16.846 1.00 0.00 WT2 H ATOM 31546 OH2 TIP3 4875 44.776 90.595 -12.511 1.00 0.00 WT2 O ATOM 31547 H1 TIP3 4875 44.920 91.406 -12.998 1.00 0.00 WT2 H ATOM 31548 H2 TIP3 4875 43.871 90.353 -12.709 1.00 0.00 WT2 H ATOM 31549 OH2 TIP3 4876 81.053 92.849 -9.710 1.00 0.00 WT2 O ATOM 31550 H1 TIP3 4876 81.317 92.268 -10.423 1.00 0.00 WT2 H ATOM 31551 H2 TIP3 4876 80.299 92.413 -9.312 1.00 0.00 WT2 H ATOM 31552 OH2 TIP3 4877 70.803 77.651 -9.874 1.00 0.00 WT2 O ATOM 31553 H1 TIP3 4877 71.203 76.824 -9.604 1.00 0.00 WT2 H ATOM 31554 H2 TIP3 4877 70.243 77.417 -10.614 1.00 0.00 WT2 H ATOM 31555 OH2 TIP3 4879 87.322 38.533 51.283 1.00 0.00 WT2 O ATOM 31556 H1 TIP3 4879 86.770 39.263 51.565 1.00 0.00 WT2 H ATOM 31557 H2 TIP3 4879 87.892 38.360 52.033 1.00 0.00 WT2 H ATOM 31558 OH2 TIP3 4890 84.378 44.851 59.196 1.00 0.00 WT2 O ATOM 31559 H1 TIP3 4890 84.669 44.809 60.107 1.00 0.00 WT2 H ATOM 31560 H2 TIP3 4890 84.873 44.162 58.753 1.00 0.00 WT2 H ATOM 31561 OH2 TIP3 4896 39.742 81.446 -3.706 1.00 0.00 WT2 O ATOM 31562 H1 TIP3 4896 39.656 80.506 -3.548 1.00 0.00 WT2 H ATOM 31563 H2 TIP3 4896 40.102 81.795 -2.891 1.00 0.00 WT2 H ATOM 31564 OH2 TIP3 4897 74.596 30.054 16.689 1.00 0.00 WT2 O ATOM 31565 H1 TIP3 4897 75.121 30.729 17.119 1.00 0.00 WT2 H ATOM 31566 H2 TIP3 4897 73.915 30.540 16.224 1.00 0.00 WT2 H ATOM 31567 OH2 TIP3 4898 69.317 43.766 39.207 1.00 0.00 WT2 O ATOM 31568 H1 TIP3 4898 69.033 43.530 38.323 1.00 0.00 WT2 H ATOM 31569 H2 TIP3 4898 68.573 44.239 39.579 1.00 0.00 WT2 H ATOM 31570 OH2 TIP3 4899 42.716 79.419 41.515 1.00 0.00 WT2 O ATOM 31571 H1 TIP3 4899 42.345 79.473 40.635 1.00 0.00 WT2 H ATOM 31572 H2 TIP3 4899 42.831 78.481 41.670 1.00 0.00 WT2 H ATOM 31573 OH2 TIP3 4904 35.753 22.372 -9.703 1.00 0.00 WT2 O ATOM 31574 H1 TIP3 4904 36.343 23.069 -9.991 1.00 0.00 WT2 H ATOM 31575 H2 TIP3 4904 35.006 22.427 -10.299 1.00 0.00 WT2 H ATOM 31576 OH2 TIP3 4914 23.773 77.719 20.253 1.00 0.00 WT2 O ATOM 31577 H1 TIP3 4914 23.743 77.756 19.297 1.00 0.00 WT2 H ATOM 31578 H2 TIP3 4914 23.316 76.908 20.477 1.00 0.00 WT2 H ATOM 31579 OH2 TIP3 4915 23.889 12.385 -19.068 1.00 0.00 WT2 O ATOM 31580 H1 TIP3 4915 24.209 11.546 -18.738 1.00 0.00 WT2 H ATOM 31581 H2 TIP3 4915 23.547 12.833 -18.295 1.00 0.00 WT2 H ATOM 31582 OH2 TIP3 4916 60.139 48.311 43.820 1.00 0.00 WT2 O ATOM 31583 H1 TIP3 4916 59.721 47.457 43.712 1.00 0.00 WT2 H ATOM 31584 H2 TIP3 4916 60.645 48.434 43.017 1.00 0.00 WT2 H ATOM 31585 OH2 TIP3 4918 71.684 56.141 38.628 1.00 0.00 WT2 O ATOM 31586 H1 TIP3 4918 71.857 56.981 38.202 1.00 0.00 WT2 H ATOM 31587 H2 TIP3 4918 71.231 55.623 37.963 1.00 0.00 WT2 H ATOM 31588 OH2 TIP3 4919 42.820 24.539 50.277 1.00 0.00 WT2 O ATOM 31589 H1 TIP3 4919 43.301 24.347 49.472 1.00 0.00 WT2 H ATOM 31590 H2 TIP3 4919 43.293 25.272 50.670 1.00 0.00 WT2 H ATOM 31591 OH2 TIP3 4921 25.067 77.901 9.929 1.00 0.00 WT2 O ATOM 31592 H1 TIP3 4921 25.966 78.195 10.077 1.00 0.00 WT2 H ATOM 31593 H2 TIP3 4921 24.561 78.322 10.624 1.00 0.00 WT2 H ATOM 31594 OH2 TIP3 4922 73.710 55.825 -13.600 1.00 0.00 WT2 O ATOM 31595 H1 TIP3 4922 72.949 55.677 -13.039 1.00 0.00 WT2 H ATOM 31596 H2 TIP3 4922 73.757 56.776 -13.695 1.00 0.00 WT2 H ATOM 31597 OH2 TIP3 4924 49.158 3.493 -0.433 1.00 0.00 WT2 O ATOM 31598 H1 TIP3 4924 48.568 4.093 -0.889 1.00 0.00 WT2 H ATOM 31599 H2 TIP3 4924 48.618 2.728 -0.236 1.00 0.00 WT2 H ATOM 31600 OH2 TIP3 4934 87.233 41.339 61.735 1.00 0.00 WT2 O ATOM 31601 H1 TIP3 4934 87.843 41.076 61.046 1.00 0.00 WT2 H ATOM 31602 H2 TIP3 4934 87.744 41.920 62.299 1.00 0.00 WT2 H ATOM 31603 OH2 TIP3 4935 29.591 46.653 -3.300 1.00 0.00 WT2 O ATOM 31604 H1 TIP3 4935 28.780 47.003 -3.668 1.00 0.00 WT2 H ATOM 31605 H2 TIP3 4935 29.305 45.956 -2.710 1.00 0.00 WT2 H ATOM 31606 OH2 TIP3 4936 38.229 93.659 -10.170 1.00 0.00 WT2 O ATOM 31607 H1 TIP3 4936 38.771 93.052 -10.673 1.00 0.00 WT2 H ATOM 31608 H2 TIP3 4936 38.754 93.865 -9.397 1.00 0.00 WT2 H ATOM 31609 OH2 TIP3 4937 57.942 29.242 -13.178 1.00 0.00 WT2 O ATOM 31610 H1 TIP3 4937 57.087 29.344 -12.760 1.00 0.00 WT2 H ATOM 31611 H2 TIP3 4937 58.350 30.105 -13.103 1.00 0.00 WT2 H ATOM 31612 OH2 TIP3 4939 53.471 14.038 30.060 1.00 0.00 WT2 O ATOM 31613 H1 TIP3 4939 53.290 14.857 29.600 1.00 0.00 WT2 H ATOM 31614 H2 TIP3 4939 53.432 14.270 30.988 1.00 0.00 WT2 H ATOM 31615 OH2 TIP3 4942 37.602 79.560 53.493 1.00 0.00 WT2 O ATOM 31616 H1 TIP3 4942 38.050 80.405 53.542 1.00 0.00 WT2 H ATOM 31617 H2 TIP3 4942 37.291 79.506 52.589 1.00 0.00 WT2 H ATOM 31618 OH2 TIP3 4956 52.179 91.120 59.052 1.00 0.00 WT2 O ATOM 31619 H1 TIP3 4956 51.434 91.677 58.825 1.00 0.00 WT2 H ATOM 31620 H2 TIP3 4956 52.382 90.651 58.242 1.00 0.00 WT2 H ATOM 31621 OH2 TIP3 4957 35.322 50.596 64.128 1.00 0.00 WT2 O ATOM 31622 H1 TIP3 4957 35.357 50.409 65.066 1.00 0.00 WT2 H ATOM 31623 H2 TIP3 4957 35.640 51.495 64.050 1.00 0.00 WT2 H ATOM 31624 OH2 TIP3 4962 88.020 47.540 41.727 1.00 0.00 WT2 O ATOM 31625 H1 TIP3 4962 87.256 47.040 42.015 1.00 0.00 WT2 H ATOM 31626 H2 TIP3 4962 87.957 47.547 40.772 1.00 0.00 WT2 H ATOM 31627 OH2 TIP3 4963 57.740 54.800 50.989 1.00 0.00 WT2 O ATOM 31628 H1 TIP3 4963 57.997 55.214 50.165 1.00 0.00 WT2 H ATOM 31629 H2 TIP3 4963 56.792 54.923 51.034 1.00 0.00 WT2 H ATOM 31630 OH2 TIP3 4965 39.634 21.100 37.012 1.00 0.00 WT2 O ATOM 31631 H1 TIP3 4965 40.335 21.699 36.755 1.00 0.00 WT2 H ATOM 31632 H2 TIP3 4965 39.317 20.732 36.187 1.00 0.00 WT2 H ATOM 31633 OH2 TIP3 4978 51.688 28.589 -18.755 1.00 0.00 WT2 O ATOM 31634 H1 TIP3 4978 51.177 28.197 -19.463 1.00 0.00 WT2 H ATOM 31635 H2 TIP3 4978 51.279 29.442 -18.608 1.00 0.00 WT2 H ATOM 31636 OH2 TIP3 4980 80.935 26.162 -12.338 1.00 0.00 WT2 O ATOM 31637 H1 TIP3 4980 81.891 26.178 -12.368 1.00 0.00 WT2 H ATOM 31638 H2 TIP3 4980 80.663 26.711 -13.074 1.00 0.00 WT2 H ATOM 31639 OH2 TIP3 4981 48.272 86.590 -11.537 1.00 0.00 WT2 O ATOM 31640 H1 TIP3 4981 47.748 87.276 -11.951 1.00 0.00 WT2 H ATOM 31641 H2 TIP3 4981 48.965 87.064 -11.076 1.00 0.00 WT2 H ATOM 31642 OH2 TIP3 4982 45.124 63.175 8.945 1.00 0.00 WT2 O ATOM 31643 H1 TIP3 4982 44.968 63.668 9.750 1.00 0.00 WT2 H ATOM 31644 H2 TIP3 4982 46.039 63.353 8.728 1.00 0.00 WT2 H ATOM 31645 OH2 TIP3 4983 74.761 29.951 48.226 1.00 0.00 WT2 O ATOM 31646 H1 TIP3 4983 75.568 29.898 47.713 1.00 0.00 WT2 H ATOM 31647 H2 TIP3 4983 74.369 30.786 47.970 1.00 0.00 WT2 H ATOM 31648 OH2 TIP3 4985 51.041 20.997 33.551 1.00 0.00 WT2 O ATOM 31649 H1 TIP3 4985 51.651 20.313 33.276 1.00 0.00 WT2 H ATOM 31650 H2 TIP3 4985 50.808 21.451 32.741 1.00 0.00 WT2 H ATOM 31651 OH2 TIP3 4996 44.074 88.215 -4.867 1.00 0.00 WT2 O ATOM 31652 H1 TIP3 4996 43.688 88.253 -3.992 1.00 0.00 WT2 H ATOM 31653 H2 TIP3 4996 44.030 87.290 -5.109 1.00 0.00 WT2 H ATOM 31654 OH2 TIP3 4998 58.518 8.694 58.608 1.00 0.00 WT2 O ATOM 31655 H1 TIP3 4998 58.995 8.208 57.936 1.00 0.00 WT2 H ATOM 31656 H2 TIP3 4998 57.721 8.183 58.753 1.00 0.00 WT2 H ATOM 31657 OH2 TIP3 4999 41.287 58.475 -17.335 1.00 0.00 WT2 O ATOM 31658 H1 TIP3 4999 41.002 58.105 -16.500 1.00 0.00 WT2 H ATOM 31659 H2 TIP3 4999 41.816 59.235 -17.094 1.00 0.00 WT2 H ATOM 31660 OH2 TIP3 5000 48.998 42.141 -14.454 1.00 0.00 WT2 O ATOM 31661 H1 TIP3 5000 48.927 42.842 -15.103 1.00 0.00 WT2 H ATOM 31662 H2 TIP3 5000 49.845 42.288 -14.034 1.00 0.00 WT2 H ATOM 31663 OH2 TIP3 5001 35.295 68.070 19.026 1.00 0.00 WT2 O ATOM 31664 H1 TIP3 5001 35.539 68.995 18.995 1.00 0.00 WT2 H ATOM 31665 H2 TIP3 5001 35.885 67.688 19.676 1.00 0.00 WT2 H ATOM 31666 OH2 TIP3 5002 68.081 21.655 -10.912 1.00 0.00 WT2 O ATOM 31667 H1 TIP3 5002 68.250 21.872 -9.995 1.00 0.00 WT2 H ATOM 31668 H2 TIP3 5002 68.130 22.494 -11.370 1.00 0.00 WT2 H ATOM 31669 OH2 TIP3 5004 74.169 38.884 31.505 1.00 0.00 WT2 O ATOM 31670 H1 TIP3 5004 75.009 38.825 31.959 1.00 0.00 WT2 H ATOM 31671 H2 TIP3 5004 74.389 39.206 30.631 1.00 0.00 WT2 H ATOM 31672 OH2 TIP3 5005 22.419 26.870 11.443 1.00 0.00 WT2 O ATOM 31673 H1 TIP3 5005 21.745 26.191 11.487 1.00 0.00 WT2 H ATOM 31674 H2 TIP3 5005 22.282 27.395 12.232 1.00 0.00 WT2 H ATOM 31675 OH2 TIP3 5019 68.127 13.937 37.953 1.00 0.00 WT2 O ATOM 31676 H1 TIP3 5019 67.916 13.005 37.901 1.00 0.00 WT2 H ATOM 31677 H2 TIP3 5019 67.591 14.343 37.272 1.00 0.00 WT2 H ATOM 31678 OH2 TIP3 5021 54.231 17.033 44.224 1.00 0.00 WT2 O ATOM 31679 H1 TIP3 5021 55.001 17.597 44.303 1.00 0.00 WT2 H ATOM 31680 H2 TIP3 5021 54.478 16.381 43.567 1.00 0.00 WT2 H ATOM 31681 OH2 TIP3 5023 28.767 42.251 50.065 1.00 0.00 WT2 O ATOM 31682 H1 TIP3 5023 29.098 42.932 50.650 1.00 0.00 WT2 H ATOM 31683 H2 TIP3 5023 28.280 42.728 49.393 1.00 0.00 WT2 H ATOM 31684 OH2 TIP3 5025 66.192 8.558 -9.171 1.00 0.00 WT2 O ATOM 31685 H1 TIP3 5025 66.174 8.883 -8.271 1.00 0.00 WT2 H ATOM 31686 H2 TIP3 5025 65.272 8.524 -9.432 1.00 0.00 WT2 H ATOM 31687 OH2 TIP3 5040 81.553 11.897 52.771 1.00 0.00 WT2 O ATOM 31688 H1 TIP3 5040 80.711 12.262 52.499 1.00 0.00 WT2 H ATOM 31689 H2 TIP3 5040 81.376 11.491 53.619 1.00 0.00 WT2 H ATOM 31690 OH2 TIP3 5043 70.909 33.396 59.639 1.00 0.00 WT2 O ATOM 31691 H1 TIP3 5043 70.401 32.926 58.977 1.00 0.00 WT2 H ATOM 31692 H2 TIP3 5043 70.874 34.312 59.363 1.00 0.00 WT2 H ATOM 31693 OH2 TIP3 5044 28.490 7.830 41.498 1.00 0.00 WT2 O ATOM 31694 H1 TIP3 5044 29.423 7.723 41.685 1.00 0.00 WT2 H ATOM 31695 H2 TIP3 5044 28.307 7.182 40.817 1.00 0.00 WT2 H ATOM 31696 OH2 TIP3 5045 83.458 33.115 37.186 1.00 0.00 WT2 O ATOM 31697 H1 TIP3 5045 83.496 33.599 36.361 1.00 0.00 WT2 H ATOM 31698 H2 TIP3 5045 84.031 32.361 37.048 1.00 0.00 WT2 H ATOM 31699 OH2 TIP3 5049 30.490 25.986 -6.356 1.00 0.00 WT2 O ATOM 31700 H1 TIP3 5049 31.351 25.795 -5.982 1.00 0.00 WT2 H ATOM 31701 H2 TIP3 5049 30.457 26.942 -6.404 1.00 0.00 WT2 H ATOM 31702 OH2 TIP3 5060 72.096 41.042 28.459 1.00 0.00 WT2 O ATOM 31703 H1 TIP3 5060 71.273 40.554 28.471 1.00 0.00 WT2 H ATOM 31704 H2 TIP3 5060 71.938 41.765 27.852 1.00 0.00 WT2 H ATOM 31705 OH2 TIP3 5061 44.762 25.503 34.602 1.00 0.00 WT2 O ATOM 31706 H1 TIP3 5061 44.804 24.586 34.332 1.00 0.00 WT2 H ATOM 31707 H2 TIP3 5061 45.316 25.965 33.972 1.00 0.00 WT2 H ATOM 31708 OH2 TIP3 5062 28.257 56.896 63.346 1.00 0.00 WT2 O ATOM 31709 H1 TIP3 5062 28.504 57.790 63.585 1.00 0.00 WT2 H ATOM 31710 H2 TIP3 5062 27.301 56.890 63.399 1.00 0.00 WT2 H ATOM 31711 OH2 TIP3 5063 85.610 42.954 -2.650 1.00 0.00 WT2 O ATOM 31712 H1 TIP3 5063 85.007 42.720 -1.944 1.00 0.00 WT2 H ATOM 31713 H2 TIP3 5063 86.185 43.615 -2.264 1.00 0.00 WT2 H ATOM 31714 OH2 TIP3 5064 44.189 73.296 61.288 1.00 0.00 WT2 O ATOM 31715 H1 TIP3 5064 43.316 73.284 60.894 1.00 0.00 WT2 H ATOM 31716 H2 TIP3 5064 44.774 73.529 60.568 1.00 0.00 WT2 H ATOM 31717 OH2 TIP3 5067 32.342 9.531 39.913 1.00 0.00 WT2 O ATOM 31718 H1 TIP3 5067 32.353 9.796 40.832 1.00 0.00 WT2 H ATOM 31719 H2 TIP3 5067 31.768 8.766 39.891 1.00 0.00 WT2 H ATOM 31720 OH2 TIP3 5068 81.611 26.760 30.124 1.00 0.00 WT2 O ATOM 31721 H1 TIP3 5068 81.387 27.147 30.970 1.00 0.00 WT2 H ATOM 31722 H2 TIP3 5068 82.335 26.164 30.318 1.00 0.00 WT2 H ATOM 31723 OH2 TIP3 5069 89.831 24.956 15.696 1.00 0.00 WT2 O ATOM 31724 H1 TIP3 5069 89.717 24.185 15.139 1.00 0.00 WT2 H ATOM 31725 H2 TIP3 5069 89.039 25.474 15.553 1.00 0.00 WT2 H ATOM 31726 OH2 TIP3 5085 52.237 42.086 54.412 1.00 0.00 WT2 O ATOM 31727 H1 TIP3 5085 52.499 42.870 54.895 1.00 0.00 WT2 H ATOM 31728 H2 TIP3 5085 52.386 41.366 55.025 1.00 0.00 WT2 H ATOM 31729 OH2 TIP3 5088 25.029 66.128 34.383 1.00 0.00 WT2 O ATOM 31730 H1 TIP3 5088 24.911 65.650 33.563 1.00 0.00 WT2 H ATOM 31731 H2 TIP3 5088 25.444 65.497 34.971 1.00 0.00 WT2 H ATOM 31732 OH2 TIP3 5090 90.562 83.694 12.618 1.00 0.00 WT2 O ATOM 31733 H1 TIP3 5090 89.843 83.814 11.998 1.00 0.00 WT2 H ATOM 31734 H2 TIP3 5090 90.765 84.578 12.924 1.00 0.00 WT2 H ATOM 31735 OH2 TIP3 5091 57.889 47.028 65.553 1.00 0.00 WT2 O ATOM 31736 H1 TIP3 5091 58.692 47.173 65.053 1.00 0.00 WT2 H ATOM 31737 H2 TIP3 5091 57.192 47.366 64.990 1.00 0.00 WT2 H ATOM 31738 OH2 TIP3 5097 43.218 67.971 57.073 1.00 0.00 WT2 O ATOM 31739 H1 TIP3 5097 43.487 68.888 57.111 1.00 0.00 WT2 H ATOM 31740 H2 TIP3 5097 43.402 67.704 56.172 1.00 0.00 WT2 H ATOM 31741 OH2 TIP3 5104 28.796 12.500 42.974 1.00 0.00 WT2 O ATOM 31742 H1 TIP3 5104 28.309 13.271 43.264 1.00 0.00 WT2 H ATOM 31743 H2 TIP3 5104 29.423 12.334 43.678 1.00 0.00 WT2 H ATOM 31744 OH2 TIP3 5106 32.845 39.682 62.838 1.00 0.00 WT2 O ATOM 31745 H1 TIP3 5106 32.929 38.931 62.251 1.00 0.00 WT2 H ATOM 31746 H2 TIP3 5106 33.619 39.637 63.398 1.00 0.00 WT2 H ATOM 31747 OH2 TIP3 5108 89.821 10.725 -17.788 1.00 0.00 WT2 O ATOM 31748 H1 TIP3 5108 90.138 11.016 -18.643 1.00 0.00 WT2 H ATOM 31749 H2 TIP3 5108 88.886 10.929 -17.796 1.00 0.00 WT2 H ATOM 31750 OH2 TIP3 5109 57.057 14.516 27.915 1.00 0.00 WT2 O ATOM 31751 H1 TIP3 5109 56.204 14.791 27.580 1.00 0.00 WT2 H ATOM 31752 H2 TIP3 5109 57.594 14.394 27.132 1.00 0.00 WT2 H ATOM 31753 OH2 TIP3 5110 44.340 14.333 31.027 1.00 0.00 WT2 O ATOM 31754 H1 TIP3 5110 44.976 13.618 30.989 1.00 0.00 WT2 H ATOM 31755 H2 TIP3 5110 44.869 15.128 30.973 1.00 0.00 WT2 H ATOM 31756 OH2 TIP3 5111 41.198 48.709 59.382 1.00 0.00 WT2 O ATOM 31757 H1 TIP3 5111 40.296 48.733 59.703 1.00 0.00 WT2 H ATOM 31758 H2 TIP3 5111 41.208 49.321 58.647 1.00 0.00 WT2 H ATOM 31759 OH2 TIP3 5126 51.114 3.130 26.938 1.00 0.00 WT2 O ATOM 31760 H1 TIP3 5126 51.255 3.917 26.411 1.00 0.00 WT2 H ATOM 31761 H2 TIP3 5126 51.983 2.904 27.268 1.00 0.00 WT2 H ATOM 31762 OH2 TIP3 5127 39.637 43.170 5.887 1.00 0.00 WT2 O ATOM 31763 H1 TIP3 5127 39.937 44.075 5.798 1.00 0.00 WT2 H ATOM 31764 H2 TIP3 5127 38.683 43.228 5.845 1.00 0.00 WT2 H ATOM 31765 OH2 TIP3 5128 80.213 14.188 61.280 1.00 0.00 WT2 O ATOM 31766 H1 TIP3 5128 81.129 13.934 61.388 1.00 0.00 WT2 H ATOM 31767 H2 TIP3 5128 79.717 13.470 61.674 1.00 0.00 WT2 H ATOM 31768 OH2 TIP3 5129 88.932 35.758 14.085 1.00 0.00 WT2 O ATOM 31769 H1 TIP3 5129 88.430 36.573 14.099 1.00 0.00 WT2 H ATOM 31770 H2 TIP3 5129 88.268 35.068 14.069 1.00 0.00 WT2 H ATOM 31771 OH2 TIP3 5130 23.281 33.300 59.729 1.00 0.00 WT2 O ATOM 31772 H1 TIP3 5130 23.374 32.959 60.619 1.00 0.00 WT2 H ATOM 31773 H2 TIP3 5130 22.454 32.933 59.417 1.00 0.00 WT2 H ATOM 31774 OH2 TIP3 5131 39.492 48.566 -3.123 1.00 0.00 WT2 O ATOM 31775 H1 TIP3 5131 39.625 49.217 -2.434 1.00 0.00 WT2 H ATOM 31776 H2 TIP3 5131 39.956 47.789 -2.811 1.00 0.00 WT2 H ATOM 31777 OH2 TIP3 5132 25.232 54.761 25.175 1.00 0.00 WT2 O ATOM 31778 H1 TIP3 5132 25.734 54.123 24.667 1.00 0.00 WT2 H ATOM 31779 H2 TIP3 5132 24.882 55.366 24.521 1.00 0.00 WT2 H ATOM 31780 OH2 TIP3 5133 51.218 68.163 -15.831 1.00 0.00 WT2 O ATOM 31781 H1 TIP3 5133 50.487 67.688 -15.434 1.00 0.00 WT2 H ATOM 31782 H2 TIP3 5133 51.907 68.140 -15.167 1.00 0.00 WT2 H ATOM 31783 OH2 TIP3 5134 24.571 20.534 5.288 1.00 0.00 WT2 O ATOM 31784 H1 TIP3 5134 24.682 21.333 4.773 1.00 0.00 WT2 H ATOM 31785 H2 TIP3 5134 25.379 20.463 5.797 1.00 0.00 WT2 H ATOM 31786 OH2 TIP3 5146 52.232 45.278 40.480 1.00 0.00 WT2 O ATOM 31787 H1 TIP3 5146 51.451 45.584 40.020 1.00 0.00 WT2 H ATOM 31788 H2 TIP3 5146 52.936 45.357 39.837 1.00 0.00 WT2 H ATOM 31789 OH2 TIP3 5148 62.823 58.237 64.142 1.00 0.00 WT2 O ATOM 31790 H1 TIP3 5148 61.874 58.284 64.028 1.00 0.00 WT2 H ATOM 31791 H2 TIP3 5148 62.978 58.605 65.012 1.00 0.00 WT2 H ATOM 31792 OH2 TIP3 5149 72.886 25.576 66.421 1.00 0.00 WT2 O ATOM 31793 H1 TIP3 5149 73.519 24.877 66.584 1.00 0.00 WT2 H ATOM 31794 H2 TIP3 5149 72.127 25.131 66.044 1.00 0.00 WT2 H ATOM 31795 OH2 TIP3 5151 34.006 7.029 46.705 1.00 0.00 WT2 O ATOM 31796 H1 TIP3 5151 34.790 6.495 46.573 1.00 0.00 WT2 H ATOM 31797 H2 TIP3 5151 33.295 6.508 46.332 1.00 0.00 WT2 H ATOM 31798 OH2 TIP3 5152 72.608 53.752 6.848 1.00 0.00 WT2 O ATOM 31799 H1 TIP3 5152 71.755 53.855 6.426 1.00 0.00 WT2 H ATOM 31800 H2 TIP3 5152 72.407 53.675 7.781 1.00 0.00 WT2 H ATOM 31801 OH2 TIP3 5156 47.896 94.710 49.511 1.00 0.00 WT2 O ATOM 31802 H1 TIP3 5156 47.737 94.812 48.572 1.00 0.00 WT2 H ATOM 31803 H2 TIP3 5156 48.849 94.720 49.596 1.00 0.00 WT2 H ATOM 31804 OH2 TIP3 5162 58.525 92.520 0.286 1.00 0.00 WT2 O ATOM 31805 H1 TIP3 5162 59.005 91.826 -0.166 1.00 0.00 WT2 H ATOM 31806 H2 TIP3 5162 57.823 92.064 0.749 1.00 0.00 WT2 H ATOM 31807 OH2 TIP3 5164 40.579 22.178 -13.812 1.00 0.00 WT2 O ATOM 31808 H1 TIP3 5164 39.961 21.455 -13.921 1.00 0.00 WT2 H ATOM 31809 H2 TIP3 5164 40.033 22.964 -13.825 1.00 0.00 WT2 H ATOM 31810 OH2 TIP3 5165 76.869 31.906 34.032 1.00 0.00 WT2 O ATOM 31811 H1 TIP3 5165 76.437 31.255 34.585 1.00 0.00 WT2 H ATOM 31812 H2 TIP3 5165 77.602 32.222 34.561 1.00 0.00 WT2 H ATOM 31813 OH2 TIP3 5166 34.820 12.390 1.219 1.00 0.00 WT2 O ATOM 31814 H1 TIP3 5166 34.092 11.949 1.657 1.00 0.00 WT2 H ATOM 31815 H2 TIP3 5166 35.384 11.679 0.915 1.00 0.00 WT2 H ATOM 31816 OH2 TIP3 5172 52.091 33.250 51.336 1.00 0.00 WT2 O ATOM 31817 H1 TIP3 5172 51.866 34.180 51.326 1.00 0.00 WT2 H ATOM 31818 H2 TIP3 5172 52.868 33.185 50.780 1.00 0.00 WT2 H ATOM 31819 OH2 TIP3 5173 73.961 34.622 -3.330 1.00 0.00 WT2 O ATOM 31820 H1 TIP3 5173 73.143 34.962 -2.968 1.00 0.00 WT2 H ATOM 31821 H2 TIP3 5173 74.182 33.880 -2.767 1.00 0.00 WT2 H ATOM 31822 OH2 TIP3 5186 55.758 72.680 54.185 1.00 0.00 WT2 O ATOM 31823 H1 TIP3 5186 56.265 71.938 53.854 1.00 0.00 WT2 H ATOM 31824 H2 TIP3 5186 54.847 72.393 54.127 1.00 0.00 WT2 H ATOM 31825 OH2 TIP3 5189 63.353 45.355 2.429 1.00 0.00 WT2 O ATOM 31826 H1 TIP3 5189 62.831 46.152 2.330 1.00 0.00 WT2 H ATOM 31827 H2 TIP3 5189 62.733 44.703 2.755 1.00 0.00 WT2 H ATOM 31828 OH2 TIP3 5190 25.204 28.816 -12.207 1.00 0.00 WT2 O ATOM 31829 H1 TIP3 5190 25.446 28.219 -11.500 1.00 0.00 WT2 H ATOM 31830 H2 TIP3 5190 26.031 29.018 -12.645 1.00 0.00 WT2 H ATOM 31831 OH2 TIP3 5191 51.796 10.021 51.783 1.00 0.00 WT2 O ATOM 31832 H1 TIP3 5191 51.156 9.317 51.680 1.00 0.00 WT2 H ATOM 31833 H2 TIP3 5191 51.489 10.713 51.198 1.00 0.00 WT2 H ATOM 31834 OH2 TIP3 5193 28.268 54.605 -10.733 1.00 0.00 WT2 O ATOM 31835 H1 TIP3 5193 28.246 54.377 -9.804 1.00 0.00 WT2 H ATOM 31836 H2 TIP3 5193 29.157 54.929 -10.880 1.00 0.00 WT2 H ATOM 31837 OH2 TIP3 5194 89.424 40.919 -3.097 1.00 0.00 WT2 O ATOM 31838 H1 TIP3 5194 89.988 41.193 -2.374 1.00 0.00 WT2 H ATOM 31839 H2 TIP3 5194 89.617 41.538 -3.801 1.00 0.00 WT2 H ATOM 31840 OH2 TIP3 5206 44.928 43.045 54.751 1.00 0.00 WT2 O ATOM 31841 H1 TIP3 5206 44.083 43.234 54.342 1.00 0.00 WT2 H ATOM 31842 H2 TIP3 5206 45.574 43.398 54.139 1.00 0.00 WT2 H ATOM 31843 OH2 TIP3 5211 86.492 64.050 -3.655 1.00 0.00 WT2 O ATOM 31844 H1 TIP3 5211 87.091 63.441 -3.224 1.00 0.00 WT2 H ATOM 31845 H2 TIP3 5211 85.995 63.506 -4.266 1.00 0.00 WT2 H ATOM 31846 OH2 TIP3 5214 46.161 48.908 51.771 1.00 0.00 WT2 O ATOM 31847 H1 TIP3 5214 47.027 49.025 51.380 1.00 0.00 WT2 H ATOM 31848 H2 TIP3 5214 45.709 49.736 51.605 1.00 0.00 WT2 H ATOM 31849 OH2 TIP3 5216 86.031 45.660 50.079 1.00 0.00 WT2 O ATOM 31850 H1 TIP3 5216 85.181 46.035 49.847 1.00 0.00 WT2 H ATOM 31851 H2 TIP3 5216 86.481 46.361 50.550 1.00 0.00 WT2 H ATOM 31852 OH2 TIP3 5230 48.343 55.856 48.955 1.00 0.00 WT2 O ATOM 31853 H1 TIP3 5230 47.522 55.780 49.442 1.00 0.00 WT2 H ATOM 31854 H2 TIP3 5230 48.235 56.645 48.424 1.00 0.00 WT2 H ATOM 31855 OH2 TIP3 5231 72.303 24.565 -6.667 1.00 0.00 WT2 O ATOM 31856 H1 TIP3 5231 72.431 25.159 -5.927 1.00 0.00 WT2 H ATOM 31857 H2 TIP3 5231 72.415 25.118 -7.440 1.00 0.00 WT2 H ATOM 31858 OH2 TIP3 5232 76.686 54.821 -3.144 1.00 0.00 WT2 O ATOM 31859 H1 TIP3 5232 75.907 54.763 -3.697 1.00 0.00 WT2 H ATOM 31860 H2 TIP3 5232 76.548 55.607 -2.616 1.00 0.00 WT2 H ATOM 31861 OH2 TIP3 5234 49.902 14.739 -7.826 1.00 0.00 WT2 O ATOM 31862 H1 TIP3 5234 49.332 14.915 -8.574 1.00 0.00 WT2 H ATOM 31863 H2 TIP3 5234 49.577 15.317 -7.135 1.00 0.00 WT2 H ATOM 31864 OH2 TIP3 5235 79.060 72.988 38.263 1.00 0.00 WT2 O ATOM 31865 H1 TIP3 5235 79.664 72.264 38.100 1.00 0.00 WT2 H ATOM 31866 H2 TIP3 5235 78.811 73.294 37.390 1.00 0.00 WT2 H ATOM 31867 OH2 TIP3 5239 70.066 17.115 54.033 1.00 0.00 WT2 O ATOM 31868 H1 TIP3 5239 70.345 16.239 54.300 1.00 0.00 WT2 H ATOM 31869 H2 TIP3 5239 70.844 17.503 53.632 1.00 0.00 WT2 H ATOM 31870 OH2 TIP3 5241 59.971 58.289 64.448 1.00 0.00 WT2 O ATOM 31871 H1 TIP3 5241 59.812 58.839 63.681 1.00 0.00 WT2 H ATOM 31872 H2 TIP3 5241 59.190 58.401 64.990 1.00 0.00 WT2 H ATOM 31873 OH2 TIP3 5251 44.538 7.434 21.129 1.00 0.00 WT2 O ATOM 31874 H1 TIP3 5251 43.757 7.595 20.600 1.00 0.00 WT2 H ATOM 31875 H2 TIP3 5251 44.307 6.683 21.676 1.00 0.00 WT2 H ATOM 31876 OH2 TIP3 5253 20.443 89.144 18.691 1.00 0.00 WT2 O ATOM 31877 H1 TIP3 5253 20.355 89.764 19.416 1.00 0.00 WT2 H ATOM 31878 H2 TIP3 5253 20.281 88.288 19.086 1.00 0.00 WT2 H ATOM 31879 OH2 TIP3 5255 80.640 65.762 -13.077 1.00 0.00 WT2 O ATOM 31880 H1 TIP3 5255 80.324 65.745 -12.174 1.00 0.00 WT2 H ATOM 31881 H2 TIP3 5255 81.113 64.937 -13.182 1.00 0.00 WT2 H ATOM 31882 OH2 TIP3 5256 53.202 71.827 65.923 1.00 0.00 WT2 O ATOM 31883 H1 TIP3 5256 52.405 72.318 66.125 1.00 0.00 WT2 H ATOM 31884 H2 TIP3 5256 52.912 70.917 65.855 1.00 0.00 WT2 H ATOM 31885 OH2 TIP3 5259 48.880 93.275 -2.348 1.00 0.00 WT2 O ATOM 31886 H1 TIP3 5259 48.602 92.407 -2.639 1.00 0.00 WT2 H ATOM 31887 H2 TIP3 5259 48.784 93.252 -1.396 1.00 0.00 WT2 H ATOM 31888 OH2 TIP3 5260 61.112 4.881 6.304 1.00 0.00 WT2 O ATOM 31889 H1 TIP3 5260 61.528 4.911 7.166 1.00 0.00 WT2 H ATOM 31890 H2 TIP3 5260 61.351 5.713 5.894 1.00 0.00 WT2 H ATOM 31891 OH2 TIP3 5271 26.940 82.400 54.812 1.00 0.00 WT2 O ATOM 31892 H1 TIP3 5271 27.290 81.535 55.026 1.00 0.00 WT2 H ATOM 31893 H2 TIP3 5271 26.623 82.744 55.648 1.00 0.00 WT2 H ATOM 31894 OH2 TIP3 5272 44.347 14.844 27.112 1.00 0.00 WT2 O ATOM 31895 H1 TIP3 5272 45.233 14.501 27.222 1.00 0.00 WT2 H ATOM 31896 H2 TIP3 5272 44.349 15.240 26.240 1.00 0.00 WT2 H ATOM 31897 OH2 TIP3 5274 40.856 39.951 25.165 1.00 0.00 WT2 O ATOM 31898 H1 TIP3 5274 40.948 40.890 25.002 1.00 0.00 WT2 H ATOM 31899 H2 TIP3 5274 41.752 39.640 25.292 1.00 0.00 WT2 H ATOM 31900 OH2 TIP3 5277 22.005 22.978 43.469 1.00 0.00 WT2 O ATOM 31901 H1 TIP3 5277 21.123 23.260 43.711 1.00 0.00 WT2 H ATOM 31902 H2 TIP3 5277 21.945 22.024 43.413 1.00 0.00 WT2 H ATOM 31903 OH2 TIP3 5278 84.199 86.666 53.722 1.00 0.00 WT2 O ATOM 31904 H1 TIP3 5278 83.582 87.193 54.230 1.00 0.00 WT2 H ATOM 31905 H2 TIP3 5278 84.542 86.029 54.348 1.00 0.00 WT2 H ATOM 31906 OH2 TIP3 5279 68.804 36.310 19.329 1.00 0.00 WT2 O ATOM 31907 H1 TIP3 5279 68.998 37.018 18.714 1.00 0.00 WT2 H ATOM 31908 H2 TIP3 5279 68.882 35.511 18.807 1.00 0.00 WT2 H ATOM 31909 OH2 TIP3 5293 65.235 3.543 43.673 1.00 0.00 WT2 O ATOM 31910 H1 TIP3 5293 64.446 3.001 43.659 1.00 0.00 WT2 H ATOM 31911 H2 TIP3 5293 64.922 4.417 43.909 1.00 0.00 WT2 H ATOM 31912 OH2 TIP3 5294 45.982 73.404 1.082 1.00 0.00 WT2 O ATOM 31913 H1 TIP3 5294 46.732 73.301 1.667 1.00 0.00 WT2 H ATOM 31914 H2 TIP3 5294 45.441 72.632 1.247 1.00 0.00 WT2 H ATOM 31915 OH2 TIP3 5295 88.133 21.541 -11.727 1.00 0.00 WT2 O ATOM 31916 H1 TIP3 5295 88.424 22.228 -11.129 1.00 0.00 WT2 H ATOM 31917 H2 TIP3 5295 87.178 21.558 -11.666 1.00 0.00 WT2 H ATOM 31918 OH2 TIP3 5296 68.905 84.876 53.103 1.00 0.00 WT2 O ATOM 31919 H1 TIP3 5296 69.122 84.427 53.921 1.00 0.00 WT2 H ATOM 31920 H2 TIP3 5296 68.990 84.202 52.429 1.00 0.00 WT2 H ATOM 31921 OH2 TIP3 5297 89.246 75.906 -11.485 1.00 0.00 WT2 O ATOM 31922 H1 TIP3 5297 89.218 75.836 -12.439 1.00 0.00 WT2 H ATOM 31923 H2 TIP3 5297 89.647 75.087 -11.195 1.00 0.00 WT2 H ATOM 31924 OH2 TIP3 5300 46.529 5.167 22.550 1.00 0.00 WT2 O ATOM 31925 H1 TIP3 5300 46.952 5.076 21.697 1.00 0.00 WT2 H ATOM 31926 H2 TIP3 5300 45.611 5.349 22.346 1.00 0.00 WT2 H ATOM 31927 OH2 TIP3 5301 25.155 66.226 -7.627 1.00 0.00 WT2 O ATOM 31928 H1 TIP3 5301 25.948 66.759 -7.574 1.00 0.00 WT2 H ATOM 31929 H2 TIP3 5301 25.094 65.801 -6.772 1.00 0.00 WT2 H ATOM 31930 OH2 TIP3 5304 38.471 12.023 4.518 1.00 0.00 WT2 O ATOM 31931 H1 TIP3 5304 38.375 12.519 3.705 1.00 0.00 WT2 H ATOM 31932 H2 TIP3 5304 37.863 11.289 4.425 1.00 0.00 WT2 H ATOM 31933 OH2 TIP3 5315 86.315 52.234 46.387 1.00 0.00 WT2 O ATOM 31934 H1 TIP3 5315 86.894 51.663 46.892 1.00 0.00 WT2 H ATOM 31935 H2 TIP3 5315 85.926 52.817 47.039 1.00 0.00 WT2 H ATOM 31936 OH2 TIP3 5317 54.604 8.742 12.604 1.00 0.00 WT2 O ATOM 31937 H1 TIP3 5317 54.598 9.534 13.141 1.00 0.00 WT2 H ATOM 31938 H2 TIP3 5317 54.312 8.049 13.195 1.00 0.00 WT2 H ATOM 31939 OH2 TIP3 5318 32.820 91.561 -15.737 1.00 0.00 WT2 O ATOM 31940 H1 TIP3 5318 33.693 91.944 -15.821 1.00 0.00 WT2 H ATOM 31941 H2 TIP3 5318 32.662 91.526 -14.794 1.00 0.00 WT2 H ATOM 31942 OH2 TIP3 5319 32.660 5.778 67.226 1.00 0.00 WT2 O ATOM 31943 H1 TIP3 5319 32.326 5.528 66.364 1.00 0.00 WT2 H ATOM 31944 H2 TIP3 5319 32.487 5.017 67.780 1.00 0.00 WT2 H ATOM 31945 OH2 TIP3 5320 29.193 59.051 64.445 1.00 0.00 WT2 O ATOM 31946 H1 TIP3 5320 29.764 58.283 64.464 1.00 0.00 WT2 H ATOM 31947 H2 TIP3 5320 29.779 59.783 64.256 1.00 0.00 WT2 H ATOM 31948 OH2 TIP3 5335 23.849 35.777 57.816 1.00 0.00 WT2 O ATOM 31949 H1 TIP3 5335 24.030 36.049 58.716 1.00 0.00 WT2 H ATOM 31950 H2 TIP3 5335 24.590 35.219 57.581 1.00 0.00 WT2 H ATOM 31951 OH2 TIP3 5336 54.929 65.406 -19.102 1.00 0.00 WT2 O ATOM 31952 H1 TIP3 5336 54.330 66.097 -19.386 1.00 0.00 WT2 H ATOM 31953 H2 TIP3 5336 54.574 65.111 -18.264 1.00 0.00 WT2 H ATOM 31954 OH2 TIP3 5339 47.203 78.819 33.350 1.00 0.00 WT2 O ATOM 31955 H1 TIP3 5339 47.672 78.191 33.899 1.00 0.00 WT2 H ATOM 31956 H2 TIP3 5339 46.586 78.286 32.849 1.00 0.00 WT2 H ATOM 31957 OH2 TIP3 5340 85.425 92.620 66.333 1.00 0.00 WT2 O ATOM 31958 H1 TIP3 5340 86.250 93.053 66.555 1.00 0.00 WT2 H ATOM 31959 H2 TIP3 5340 85.461 92.508 65.383 1.00 0.00 WT2 H ATOM 31960 OH2 TIP3 5341 48.295 15.585 52.053 1.00 0.00 WT2 O ATOM 31961 H1 TIP3 5341 49.064 15.018 52.113 1.00 0.00 WT2 H ATOM 31962 H2 TIP3 5341 47.638 15.053 51.605 1.00 0.00 WT2 H ATOM 31963 OH2 TIP3 5355 45.363 68.949 34.726 1.00 0.00 WT2 O ATOM 31964 H1 TIP3 5355 46.033 68.550 34.172 1.00 0.00 WT2 H ATOM 31965 H2 TIP3 5355 45.832 69.617 35.227 1.00 0.00 WT2 H ATOM 31966 OH2 TIP3 5356 63.821 23.071 27.660 1.00 0.00 WT2 O ATOM 31967 H1 TIP3 5356 63.967 24.007 27.800 1.00 0.00 WT2 H ATOM 31968 H2 TIP3 5356 62.896 23.006 27.421 1.00 0.00 WT2 H ATOM 31969 OH2 TIP3 5357 65.198 54.601 58.993 1.00 0.00 WT2 O ATOM 31970 H1 TIP3 5357 64.689 54.226 59.712 1.00 0.00 WT2 H ATOM 31971 H2 TIP3 5357 64.657 55.320 58.666 1.00 0.00 WT2 H ATOM 31972 OH2 TIP3 5358 67.866 50.091 25.237 1.00 0.00 WT2 O ATOM 31973 H1 TIP3 5358 67.965 50.080 24.285 1.00 0.00 WT2 H ATOM 31974 H2 TIP3 5358 66.928 49.969 25.382 1.00 0.00 WT2 H ATOM 31975 OH2 TIP3 5359 70.792 91.128 5.903 1.00 0.00 WT2 O ATOM 31976 H1 TIP3 5359 71.031 90.244 6.184 1.00 0.00 WT2 H ATOM 31977 H2 TIP3 5359 71.573 91.654 6.076 1.00 0.00 WT2 H ATOM 31978 OH2 TIP3 5360 31.126 18.126 -18.157 1.00 0.00 WT2 O ATOM 31979 H1 TIP3 5360 30.274 17.695 -18.083 1.00 0.00 WT2 H ATOM 31980 H2 TIP3 5360 30.922 19.062 -18.138 1.00 0.00 WT2 H ATOM 31981 OH2 TIP3 5364 32.338 25.991 41.543 1.00 0.00 WT2 O ATOM 31982 H1 TIP3 5364 32.493 25.301 40.898 1.00 0.00 WT2 H ATOM 31983 H2 TIP3 5364 32.517 26.804 41.072 1.00 0.00 WT2 H ATOM 31984 OH2 TIP3 5375 74.144 28.684 50.937 1.00 0.00 WT2 O ATOM 31985 H1 TIP3 5375 73.971 29.084 50.085 1.00 0.00 WT2 H ATOM 31986 H2 TIP3 5375 74.913 28.133 50.791 1.00 0.00 WT2 H ATOM 31987 OH2 TIP3 5377 63.791 84.067 1.782 1.00 0.00 WT2 O ATOM 31988 H1 TIP3 5377 63.260 83.332 2.091 1.00 0.00 WT2 H ATOM 31989 H2 TIP3 5377 63.936 84.602 2.562 1.00 0.00 WT2 H ATOM 31990 OH2 TIP3 5378 30.859 3.598 37.783 1.00 0.00 WT2 O ATOM 31991 H1 TIP3 5378 31.656 3.136 38.043 1.00 0.00 WT2 H ATOM 31992 H2 TIP3 5378 30.305 2.921 37.395 1.00 0.00 WT2 H ATOM 31993 OH2 TIP3 5379 41.808 31.289 42.036 1.00 0.00 WT2 O ATOM 31994 H1 TIP3 5379 41.195 31.078 42.740 1.00 0.00 WT2 H ATOM 31995 H2 TIP3 5379 41.396 32.017 41.570 1.00 0.00 WT2 H ATOM 31996 OH2 TIP3 5380 46.466 44.105 64.374 1.00 0.00 WT2 O ATOM 31997 H1 TIP3 5380 46.590 43.578 65.163 1.00 0.00 WT2 H ATOM 31998 H2 TIP3 5380 46.857 43.584 63.673 1.00 0.00 WT2 H ATOM 31999 OH2 TIP3 5381 43.475 92.727 63.977 1.00 0.00 WT2 O ATOM 32000 H1 TIP3 5381 42.775 92.303 63.481 1.00 0.00 WT2 H ATOM 32001 H2 TIP3 5381 43.035 93.110 64.735 1.00 0.00 WT2 H ATOM 32002 OH2 TIP3 5382 88.034 68.285 53.986 1.00 0.00 WT2 O ATOM 32003 H1 TIP3 5382 87.595 67.467 54.222 1.00 0.00 WT2 H ATOM 32004 H2 TIP3 5382 88.470 68.092 53.157 1.00 0.00 WT2 H ATOM 32005 OH2 TIP3 5383 26.014 17.018 47.853 1.00 0.00 WT2 O ATOM 32006 H1 TIP3 5383 25.095 17.274 47.775 1.00 0.00 WT2 H ATOM 32007 H2 TIP3 5383 26.504 17.801 47.601 1.00 0.00 WT2 H ATOM 32008 OH2 TIP3 5384 64.083 37.387 48.915 1.00 0.00 WT2 O ATOM 32009 H1 TIP3 5384 64.933 36.951 48.855 1.00 0.00 WT2 H ATOM 32010 H2 TIP3 5384 63.449 36.672 48.965 1.00 0.00 WT2 H ATOM 32011 OH2 TIP3 5385 84.728 31.629 31.438 1.00 0.00 WT2 O ATOM 32012 H1 TIP3 5385 84.393 32.021 30.631 1.00 0.00 WT2 H ATOM 32013 H2 TIP3 5385 85.088 32.367 31.931 1.00 0.00 WT2 H ATOM 32014 OH2 TIP3 5393 40.999 9.250 36.174 1.00 0.00 WT2 O ATOM 32015 H1 TIP3 5393 40.643 9.857 36.824 1.00 0.00 WT2 H ATOM 32016 H2 TIP3 5393 41.480 9.808 35.563 1.00 0.00 WT2 H ATOM 32017 OH2 TIP3 5396 74.562 82.489 47.362 1.00 0.00 WT2 O ATOM 32018 H1 TIP3 5396 74.457 83.432 47.233 1.00 0.00 WT2 H ATOM 32019 H2 TIP3 5396 74.979 82.182 46.557 1.00 0.00 WT2 H ATOM 32020 OH2 TIP3 5399 35.291 84.402 62.176 1.00 0.00 WT2 O ATOM 32021 H1 TIP3 5399 35.440 85.234 62.625 1.00 0.00 WT2 H ATOM 32022 H2 TIP3 5399 34.429 84.116 62.480 1.00 0.00 WT2 H ATOM 32023 OH2 TIP3 5400 47.718 9.754 10.003 1.00 0.00 WT2 O ATOM 32024 H1 TIP3 5400 46.776 9.611 9.908 1.00 0.00 WT2 H ATOM 32025 H2 TIP3 5400 47.921 10.443 9.371 1.00 0.00 WT2 H ATOM 32026 OH2 TIP3 5402 85.577 11.565 64.437 1.00 0.00 WT2 O ATOM 32027 H1 TIP3 5402 86.432 11.143 64.520 1.00 0.00 WT2 H ATOM 32028 H2 TIP3 5402 85.169 11.136 63.685 1.00 0.00 WT2 H ATOM 32029 OH2 TIP3 5404 32.394 73.078 64.442 1.00 0.00 WT2 O ATOM 32030 H1 TIP3 5404 32.246 72.392 65.093 1.00 0.00 WT2 H ATOM 32031 H2 TIP3 5404 32.003 72.735 63.638 1.00 0.00 WT2 H ATOM 32032 OH2 TIP3 5418 36.812 11.338 9.270 1.00 0.00 WT2 O ATOM 32033 H1 TIP3 5418 36.616 10.806 10.042 1.00 0.00 WT2 H ATOM 32034 H2 TIP3 5418 36.099 11.148 8.660 1.00 0.00 WT2 H ATOM 32035 OH2 TIP3 5419 41.478 20.640 11.278 1.00 0.00 WT2 O ATOM 32036 H1 TIP3 5419 40.910 19.969 10.897 1.00 0.00 WT2 H ATOM 32037 H2 TIP3 5419 42.210 20.150 11.653 1.00 0.00 WT2 H ATOM 32038 OH2 TIP3 5420 86.350 89.697 -9.401 1.00 0.00 WT2 O ATOM 32039 H1 TIP3 5420 86.672 90.150 -8.621 1.00 0.00 WT2 H ATOM 32040 H2 TIP3 5420 86.377 90.358 -10.092 1.00 0.00 WT2 H ATOM 32041 OH2 TIP3 5421 24.395 21.410 65.374 1.00 0.00 WT2 O ATOM 32042 H1 TIP3 5421 24.093 21.612 66.259 1.00 0.00 WT2 H ATOM 32043 H2 TIP3 5421 25.092 22.044 65.207 1.00 0.00 WT2 H ATOM 32044 OH2 TIP3 5422 75.956 37.438 24.672 1.00 0.00 WT2 O ATOM 32045 H1 TIP3 5422 76.237 37.713 23.800 1.00 0.00 WT2 H ATOM 32046 H2 TIP3 5422 75.541 38.215 25.047 1.00 0.00 WT2 H ATOM 32047 OH2 TIP3 5426 59.853 35.863 6.262 1.00 0.00 WT2 O ATOM 32048 H1 TIP3 5426 60.169 36.438 6.959 1.00 0.00 WT2 H ATOM 32049 H2 TIP3 5426 59.280 35.238 6.708 1.00 0.00 WT2 H ATOM 32050 OH2 TIP3 5430 62.747 21.489 48.392 1.00 0.00 WT2 O ATOM 32051 H1 TIP3 5430 62.835 21.812 47.496 1.00 0.00 WT2 H ATOM 32052 H2 TIP3 5430 61.803 21.410 48.528 1.00 0.00 WT2 H ATOM 32053 OH2 TIP3 5434 31.536 59.124 5.515 1.00 0.00 WT2 O ATOM 32054 H1 TIP3 5434 31.966 58.364 5.906 1.00 0.00 WT2 H ATOM 32055 H2 TIP3 5434 31.400 58.879 4.600 1.00 0.00 WT2 H ATOM 32056 OH2 TIP3 5440 56.402 77.185 48.769 1.00 0.00 WT2 O ATOM 32057 H1 TIP3 5440 57.000 76.974 48.052 1.00 0.00 WT2 H ATOM 32058 H2 TIP3 5440 55.945 76.364 48.949 1.00 0.00 WT2 H ATOM 32059 OH2 TIP3 5442 59.422 11.573 -15.239 1.00 0.00 WT2 O ATOM 32060 H1 TIP3 5442 58.788 11.380 -14.548 1.00 0.00 WT2 H ATOM 32061 H2 TIP3 5442 59.563 12.518 -15.178 1.00 0.00 WT2 H ATOM 32062 OH2 TIP3 5443 76.862 76.677 -8.552 1.00 0.00 WT2 O ATOM 32063 H1 TIP3 5443 77.794 76.746 -8.756 1.00 0.00 WT2 H ATOM 32064 H2 TIP3 5443 76.457 76.394 -9.372 1.00 0.00 WT2 H ATOM 32065 OH2 TIP3 5444 33.481 54.116 22.742 1.00 0.00 WT2 O ATOM 32066 H1 TIP3 5444 34.058 53.750 22.073 1.00 0.00 WT2 H ATOM 32067 H2 TIP3 5444 33.410 55.044 22.517 1.00 0.00 WT2 H ATOM 32068 OH2 TIP3 5445 50.657 93.372 -7.611 1.00 0.00 WT2 O ATOM 32069 H1 TIP3 5445 49.823 93.546 -8.048 1.00 0.00 WT2 H ATOM 32070 H2 TIP3 5445 51.155 94.183 -7.714 1.00 0.00 WT2 H ATOM 32071 OH2 TIP3 5446 85.070 59.237 15.720 1.00 0.00 WT2 O ATOM 32072 H1 TIP3 5446 84.784 59.652 16.534 1.00 0.00 WT2 H ATOM 32073 H2 TIP3 5446 85.963 59.557 15.588 1.00 0.00 WT2 H ATOM 32074 OH2 TIP3 5460 69.504 39.209 40.156 1.00 0.00 WT2 O ATOM 32075 H1 TIP3 5460 69.633 39.716 39.354 1.00 0.00 WT2 H ATOM 32076 H2 TIP3 5460 68.889 39.729 40.673 1.00 0.00 WT2 H ATOM 32077 OH2 TIP3 5461 57.641 7.330 51.973 1.00 0.00 WT2 O ATOM 32078 H1 TIP3 5461 57.243 8.198 52.041 1.00 0.00 WT2 H ATOM 32079 H2 TIP3 5461 58.459 7.477 51.498 1.00 0.00 WT2 H ATOM 32080 OH2 TIP3 5462 64.630 11.473 46.779 1.00 0.00 WT2 O ATOM 32081 H1 TIP3 5462 64.678 11.179 45.870 1.00 0.00 WT2 H ATOM 32082 H2 TIP3 5462 63.693 11.499 46.974 1.00 0.00 WT2 H ATOM 32083 OH2 TIP3 5463 82.423 59.283 42.526 1.00 0.00 WT2 O ATOM 32084 H1 TIP3 5463 81.545 59.414 42.169 1.00 0.00 WT2 H ATOM 32085 H2 TIP3 5463 82.744 60.167 42.703 1.00 0.00 WT2 H ATOM 32086 OH2 TIP3 5464 68.535 39.195 35.862 1.00 0.00 WT2 O ATOM 32087 H1 TIP3 5464 67.772 38.641 35.694 1.00 0.00 WT2 H ATOM 32088 H2 TIP3 5464 68.356 40.002 35.379 1.00 0.00 WT2 H ATOM 32089 OH2 TIP3 5466 21.447 75.519 1.315 1.00 0.00 WT2 O ATOM 32090 H1 TIP3 5466 22.403 75.535 1.268 1.00 0.00 WT2 H ATOM 32091 H2 TIP3 5466 21.163 75.424 0.406 1.00 0.00 WT2 H ATOM 32092 OH2 TIP3 5481 24.220 90.246 62.708 1.00 0.00 WT2 O ATOM 32093 H1 TIP3 5481 23.976 90.909 63.354 1.00 0.00 WT2 H ATOM 32094 H2 TIP3 5481 24.569 90.747 61.971 1.00 0.00 WT2 H ATOM 32095 OH2 TIP3 5482 77.891 41.925 14.509 1.00 0.00 WT2 O ATOM 32096 H1 TIP3 5482 78.717 42.388 14.651 1.00 0.00 WT2 H ATOM 32097 H2 TIP3 5482 77.414 42.472 13.884 1.00 0.00 WT2 H ATOM 32098 OH2 TIP3 5483 80.465 39.940 38.450 1.00 0.00 WT2 O ATOM 32099 H1 TIP3 5483 81.015 39.672 37.714 1.00 0.00 WT2 H ATOM 32100 H2 TIP3 5483 80.721 39.357 39.165 1.00 0.00 WT2 H ATOM 32101 OH2 TIP3 5484 81.191 28.149 -9.868 1.00 0.00 WT2 O ATOM 32102 H1 TIP3 5484 82.017 27.694 -10.031 1.00 0.00 WT2 H ATOM 32103 H2 TIP3 5484 80.551 27.448 -9.746 1.00 0.00 WT2 H ATOM 32104 OH2 TIP3 5486 58.031 33.736 43.017 1.00 0.00 WT2 O ATOM 32105 H1 TIP3 5486 57.362 34.183 42.498 1.00 0.00 WT2 H ATOM 32106 H2 TIP3 5486 58.851 33.918 42.559 1.00 0.00 WT2 H ATOM 32107 OH2 TIP3 5487 71.596 17.651 -5.802 1.00 0.00 WT2 O ATOM 32108 H1 TIP3 5487 71.467 18.021 -4.929 1.00 0.00 WT2 H ATOM 32109 H2 TIP3 5487 71.601 18.410 -6.386 1.00 0.00 WT2 H ATOM 32110 OH2 TIP3 5488 75.247 25.339 4.051 1.00 0.00 WT2 O ATOM 32111 H1 TIP3 5488 75.808 24.568 3.971 1.00 0.00 WT2 H ATOM 32112 H2 TIP3 5488 75.324 25.598 4.969 1.00 0.00 WT2 H ATOM 32113 OH2 TIP3 5504 47.398 3.547 50.600 1.00 0.00 WT2 O ATOM 32114 H1 TIP3 5504 48.109 4.161 50.786 1.00 0.00 WT2 H ATOM 32115 H2 TIP3 5504 47.405 2.940 51.340 1.00 0.00 WT2 H ATOM 32116 OH2 TIP3 5505 83.444 73.323 -17.448 1.00 0.00 WT2 O ATOM 32117 H1 TIP3 5505 82.987 74.132 -17.218 1.00 0.00 WT2 H ATOM 32118 H2 TIP3 5505 83.815 73.495 -18.313 1.00 0.00 WT2 H ATOM 32119 OH2 TIP3 5506 68.208 64.681 27.752 1.00 0.00 WT2 O ATOM 32120 H1 TIP3 5506 67.342 65.023 27.531 1.00 0.00 WT2 H ATOM 32121 H2 TIP3 5506 68.301 63.896 27.213 1.00 0.00 WT2 H ATOM 32122 OH2 TIP3 5507 57.392 11.384 57.058 1.00 0.00 WT2 O ATOM 32123 H1 TIP3 5507 56.466 11.234 57.251 1.00 0.00 WT2 H ATOM 32124 H2 TIP3 5507 57.849 10.676 57.513 1.00 0.00 WT2 H ATOM 32125 OH2 TIP3 5510 30.730 40.216 29.305 1.00 0.00 WT2 O ATOM 32126 H1 TIP3 5510 30.602 40.528 28.409 1.00 0.00 WT2 H ATOM 32127 H2 TIP3 5510 31.598 40.536 29.549 1.00 0.00 WT2 H ATOM 32128 OH2 TIP3 5522 34.665 68.833 -4.244 1.00 0.00 WT2 O ATOM 32129 H1 TIP3 5522 35.146 69.634 -4.032 1.00 0.00 WT2 H ATOM 32130 H2 TIP3 5522 34.284 69.003 -5.105 1.00 0.00 WT2 H ATOM 32131 OH2 TIP3 5526 74.055 20.419 -9.130 1.00 0.00 WT2 O ATOM 32132 H1 TIP3 5526 74.479 20.611 -8.293 1.00 0.00 WT2 H ATOM 32133 H2 TIP3 5526 73.166 20.155 -8.893 1.00 0.00 WT2 H ATOM 32134 OH2 TIP3 5527 48.048 75.198 59.930 1.00 0.00 WT2 O ATOM 32135 H1 TIP3 5527 48.057 75.850 60.631 1.00 0.00 WT2 H ATOM 32136 H2 TIP3 5527 48.045 75.714 59.124 1.00 0.00 WT2 H ATOM 32137 OH2 TIP3 5528 30.704 45.988 5.103 1.00 0.00 WT2 O ATOM 32138 H1 TIP3 5528 30.943 46.693 4.501 1.00 0.00 WT2 H ATOM 32139 H2 TIP3 5528 31.324 46.069 5.827 1.00 0.00 WT2 H ATOM 32140 OH2 TIP3 5530 61.442 80.224 6.418 1.00 0.00 WT2 O ATOM 32141 H1 TIP3 5530 60.644 80.707 6.633 1.00 0.00 WT2 H ATOM 32142 H2 TIP3 5530 61.174 79.305 6.416 1.00 0.00 WT2 H ATOM 32143 OH2 TIP3 5545 70.549 11.110 36.081 1.00 0.00 WT2 O ATOM 32144 H1 TIP3 5545 70.176 11.967 36.289 1.00 0.00 WT2 H ATOM 32145 H2 TIP3 5545 69.792 10.529 36.013 1.00 0.00 WT2 H ATOM 32146 OH2 TIP3 5547 64.278 7.707 -2.422 1.00 0.00 WT2 O ATOM 32147 H1 TIP3 5547 64.289 7.198 -1.612 1.00 0.00 WT2 H ATOM 32148 H2 TIP3 5547 64.253 8.619 -2.132 1.00 0.00 WT2 H ATOM 32149 OH2 TIP3 5548 59.966 1.718 57.309 1.00 0.00 WT2 O ATOM 32150 H1 TIP3 5548 59.606 1.225 58.046 1.00 0.00 WT2 H ATOM 32151 H2 TIP3 5548 59.221 2.205 56.959 1.00 0.00 WT2 H ATOM 32152 OH2 TIP3 5549 25.730 84.388 5.023 1.00 0.00 WT2 O ATOM 32153 H1 TIP3 5549 26.349 84.824 5.608 1.00 0.00 WT2 H ATOM 32154 H2 TIP3 5549 26.180 83.588 4.751 1.00 0.00 WT2 H ATOM 32155 OH2 TIP3 5550 86.234 36.733 60.286 1.00 0.00 WT2 O ATOM 32156 H1 TIP3 5550 86.550 37.312 60.979 1.00 0.00 WT2 H ATOM 32157 H2 TIP3 5550 85.730 37.304 59.706 1.00 0.00 WT2 H ATOM 32158 OH2 TIP3 5551 80.554 33.823 59.487 1.00 0.00 WT2 O ATOM 32159 H1 TIP3 5551 79.738 34.258 59.736 1.00 0.00 WT2 H ATOM 32160 H2 TIP3 5551 80.409 32.902 59.701 1.00 0.00 WT2 H ATOM 32161 OH2 TIP3 5552 37.969 10.844 47.679 1.00 0.00 WT2 O ATOM 32162 H1 TIP3 5552 37.513 10.798 48.519 1.00 0.00 WT2 H ATOM 32163 H2 TIP3 5552 38.305 11.739 47.637 1.00 0.00 WT2 H ATOM 32164 OH2 TIP3 5553 29.323 24.575 30.917 1.00 0.00 WT2 O ATOM 32165 H1 TIP3 5553 30.276 24.579 30.824 1.00 0.00 WT2 H ATOM 32166 H2 TIP3 5553 29.127 25.368 31.416 1.00 0.00 WT2 H ATOM 32167 OH2 TIP3 5564 28.222 20.030 64.517 1.00 0.00 WT2 O ATOM 32168 H1 TIP3 5564 29.018 20.514 64.297 1.00 0.00 WT2 H ATOM 32169 H2 TIP3 5564 27.573 20.334 63.883 1.00 0.00 WT2 H ATOM 32170 OH2 TIP3 5566 65.410 70.337 31.346 1.00 0.00 WT2 O ATOM 32171 H1 TIP3 5566 65.403 70.282 30.390 1.00 0.00 WT2 H ATOM 32172 H2 TIP3 5566 64.489 70.261 31.597 1.00 0.00 WT2 H ATOM 32173 OH2 TIP3 5567 55.705 53.409 -18.329 1.00 0.00 WT2 O ATOM 32174 H1 TIP3 5567 55.474 53.380 -17.400 1.00 0.00 WT2 H ATOM 32175 H2 TIP3 5567 55.856 52.495 -18.567 1.00 0.00 WT2 H ATOM 32176 OH2 TIP3 5568 69.606 75.127 23.358 1.00 0.00 WT2 O ATOM 32177 H1 TIP3 5568 68.891 75.701 23.084 1.00 0.00 WT2 H ATOM 32178 H2 TIP3 5568 69.368 74.266 23.013 1.00 0.00 WT2 H ATOM 32179 OH2 TIP3 5569 72.688 30.552 42.663 1.00 0.00 WT2 O ATOM 32180 H1 TIP3 5569 72.982 29.874 42.055 1.00 0.00 WT2 H ATOM 32181 H2 TIP3 5569 71.732 30.513 42.622 1.00 0.00 WT2 H ATOM 32182 OH2 TIP3 5571 49.782 90.232 -10.683 1.00 0.00 WT2 O ATOM 32183 H1 TIP3 5571 49.589 89.443 -11.190 1.00 0.00 WT2 H ATOM 32184 H2 TIP3 5571 49.742 90.944 -11.322 1.00 0.00 WT2 H ATOM 32185 OH2 TIP3 5572 81.588 90.966 58.966 1.00 0.00 WT2 O ATOM 32186 H1 TIP3 5572 81.522 90.059 59.264 1.00 0.00 WT2 H ATOM 32187 H2 TIP3 5572 82.366 90.981 58.409 1.00 0.00 WT2 H ATOM 32188 OH2 TIP3 5585 83.398 24.260 56.743 1.00 0.00 WT2 O ATOM 32189 H1 TIP3 5585 84.121 23.650 56.599 1.00 0.00 WT2 H ATOM 32190 H2 TIP3 5585 83.335 24.754 55.926 1.00 0.00 WT2 H ATOM 32191 OH2 TIP3 5590 85.171 37.158 31.466 1.00 0.00 WT2 O ATOM 32192 H1 TIP3 5590 85.150 36.233 31.221 1.00 0.00 WT2 H ATOM 32193 H2 TIP3 5590 84.538 37.575 30.882 1.00 0.00 WT2 H ATOM 32194 OH2 TIP3 5591 59.939 0.584 49.496 1.00 0.00 WT2 O ATOM 32195 H1 TIP3 5591 59.192 0.008 49.662 1.00 0.00 WT2 H ATOM 32196 H2 TIP3 5591 59.676 1.105 48.737 1.00 0.00 WT2 H ATOM 32197 OH2 TIP3 5592 31.136 60.543 29.121 1.00 0.00 WT2 O ATOM 32198 H1 TIP3 5592 31.311 59.604 29.057 1.00 0.00 WT2 H ATOM 32199 H2 TIP3 5592 31.995 60.937 29.270 1.00 0.00 WT2 H ATOM 32200 OH2 TIP3 5595 78.493 80.748 0.720 1.00 0.00 WT2 O ATOM 32201 H1 TIP3 5595 79.031 81.224 0.087 1.00 0.00 WT2 H ATOM 32202 H2 TIP3 5595 78.182 81.422 1.324 1.00 0.00 WT2 H ATOM 32203 OH2 TIP3 5596 86.953 61.724 -2.298 1.00 0.00 WT2 O ATOM 32204 H1 TIP3 5596 87.532 60.978 -2.453 1.00 0.00 WT2 H ATOM 32205 H2 TIP3 5596 86.074 61.383 -2.457 1.00 0.00 WT2 H ATOM 32206 OH2 TIP3 5606 36.291 51.913 59.827 1.00 0.00 WT2 O ATOM 32207 H1 TIP3 5606 35.724 52.247 59.131 1.00 0.00 WT2 H ATOM 32208 H2 TIP3 5606 35.900 52.246 60.635 1.00 0.00 WT2 H ATOM 32209 OH2 TIP3 5607 51.434 26.727 14.265 1.00 0.00 WT2 O ATOM 32210 H1 TIP3 5607 51.694 27.649 14.257 1.00 0.00 WT2 H ATOM 32211 H2 TIP3 5607 51.407 26.478 13.341 1.00 0.00 WT2 H ATOM 32212 OH2 TIP3 5609 21.256 66.868 -4.938 1.00 0.00 WT2 O ATOM 32213 H1 TIP3 5609 20.840 67.150 -4.123 1.00 0.00 WT2 H ATOM 32214 H2 TIP3 5609 21.272 67.654 -5.483 1.00 0.00 WT2 H ATOM 32215 OH2 TIP3 5610 57.505 59.857 56.067 1.00 0.00 WT2 O ATOM 32216 H1 TIP3 5610 58.016 59.995 56.864 1.00 0.00 WT2 H ATOM 32217 H2 TIP3 5610 58.041 59.267 55.538 1.00 0.00 WT2 H ATOM 32218 OH2 TIP3 5611 28.839 31.071 -10.389 1.00 0.00 WT2 O ATOM 32219 H1 TIP3 5611 28.259 31.831 -10.355 1.00 0.00 WT2 H ATOM 32220 H2 TIP3 5611 28.387 30.448 -10.958 1.00 0.00 WT2 H ATOM 32221 OH2 TIP3 5612 83.080 50.535 65.840 1.00 0.00 WT2 O ATOM 32222 H1 TIP3 5612 83.549 51.126 65.251 1.00 0.00 WT2 H ATOM 32223 H2 TIP3 5612 82.156 50.741 65.702 1.00 0.00 WT2 H ATOM 32224 OH2 TIP3 5614 41.454 34.676 -13.030 1.00 0.00 WT2 O ATOM 32225 H1 TIP3 5614 41.708 35.261 -13.743 1.00 0.00 WT2 H ATOM 32226 H2 TIP3 5614 42.025 34.922 -12.302 1.00 0.00 WT2 H ATOM 32227 OH2 TIP3 5615 47.133 11.887 66.696 1.00 0.00 WT2 O ATOM 32228 H1 TIP3 5615 47.608 11.594 65.918 1.00 0.00 WT2 H ATOM 32229 H2 TIP3 5615 47.284 11.198 67.343 1.00 0.00 WT2 H ATOM 32230 OH2 TIP3 5616 26.615 42.260 46.937 1.00 0.00 WT2 O ATOM 32231 H1 TIP3 5616 25.970 41.977 46.288 1.00 0.00 WT2 H ATOM 32232 H2 TIP3 5616 26.913 41.449 47.349 1.00 0.00 WT2 H ATOM 32233 OH2 TIP3 5618 75.331 18.609 66.198 1.00 0.00 WT2 O ATOM 32234 H1 TIP3 5618 76.243 18.826 66.390 1.00 0.00 WT2 H ATOM 32235 H2 TIP3 5618 75.371 17.742 65.793 1.00 0.00 WT2 H ATOM 32236 OH2 TIP3 5626 88.370 71.530 35.801 1.00 0.00 WT2 O ATOM 32237 H1 TIP3 5626 89.161 71.038 35.581 1.00 0.00 WT2 H ATOM 32238 H2 TIP3 5626 87.724 71.247 35.153 1.00 0.00 WT2 H ATOM 32239 OH2 TIP3 5630 59.331 51.757 -8.746 1.00 0.00 WT2 O ATOM 32240 H1 TIP3 5630 58.484 52.137 -8.513 1.00 0.00 WT2 H ATOM 32241 H2 TIP3 5630 59.924 52.052 -8.055 1.00 0.00 WT2 H ATOM 32242 OH2 TIP3 5631 71.417 88.556 30.862 1.00 0.00 WT2 O ATOM 32243 H1 TIP3 5631 71.524 88.033 30.067 1.00 0.00 WT2 H ATOM 32244 H2 TIP3 5631 70.929 87.988 31.459 1.00 0.00 WT2 H ATOM 32245 OH2 TIP3 5633 43.525 79.630 -13.180 1.00 0.00 WT2 O ATOM 32246 H1 TIP3 5633 43.091 79.388 -12.362 1.00 0.00 WT2 H ATOM 32247 H2 TIP3 5633 43.476 78.841 -13.721 1.00 0.00 WT2 H ATOM 32248 OH2 TIP3 5635 66.477 6.350 -3.757 1.00 0.00 WT2 O ATOM 32249 H1 TIP3 5635 67.353 6.554 -3.430 1.00 0.00 WT2 H ATOM 32250 H2 TIP3 5635 65.921 7.045 -3.406 1.00 0.00 WT2 H ATOM 32251 OH2 TIP3 5647 86.795 77.648 34.333 1.00 0.00 WT2 O ATOM 32252 H1 TIP3 5647 86.739 77.108 33.545 1.00 0.00 WT2 H ATOM 32253 H2 TIP3 5647 87.386 77.167 34.912 1.00 0.00 WT2 H ATOM 32254 OH2 TIP3 5650 57.395 32.064 64.943 1.00 0.00 WT2 O ATOM 32255 H1 TIP3 5650 56.753 31.855 65.621 1.00 0.00 WT2 H ATOM 32256 H2 TIP3 5650 57.898 31.257 64.831 1.00 0.00 WT2 H ATOM 32257 OH2 TIP3 5651 34.795 54.915 53.791 1.00 0.00 WT2 O ATOM 32258 H1 TIP3 5651 34.560 55.832 53.932 1.00 0.00 WT2 H ATOM 32259 H2 TIP3 5651 34.306 54.660 53.009 1.00 0.00 WT2 H ATOM 32260 OH2 TIP3 5653 45.839 94.685 24.693 1.00 0.00 WT2 O ATOM 32261 H1 TIP3 5653 46.262 95.405 25.161 1.00 0.00 WT2 H ATOM 32262 H2 TIP3 5653 46.030 94.854 23.770 1.00 0.00 WT2 H ATOM 32263 OH2 TIP3 5654 41.354 96.300 52.106 1.00 0.00 WT2 O ATOM 32264 H1 TIP3 5654 41.759 95.542 51.683 1.00 0.00 WT2 H ATOM 32265 H2 TIP3 5654 41.639 97.048 51.581 1.00 0.00 WT2 H ATOM 32266 OH2 TIP3 5655 66.222 45.322 46.245 1.00 0.00 WT2 O ATOM 32267 H1 TIP3 5655 66.177 45.361 45.290 1.00 0.00 WT2 H ATOM 32268 H2 TIP3 5655 67.108 45.011 46.431 1.00 0.00 WT2 H ATOM 32269 OH2 TIP3 5656 69.318 30.499 49.111 1.00 0.00 WT2 O ATOM 32270 H1 TIP3 5656 68.642 31.176 49.087 1.00 0.00 WT2 H ATOM 32271 H2 TIP3 5656 69.343 30.153 48.219 1.00 0.00 WT2 H ATOM 32272 OH2 TIP3 5669 54.731 70.556 -2.627 1.00 0.00 WT2 O ATOM 32273 H1 TIP3 5669 54.857 70.966 -1.771 1.00 0.00 WT2 H ATOM 32274 H2 TIP3 5669 54.940 71.246 -3.256 1.00 0.00 WT2 H ATOM 32275 OH2 TIP3 5673 88.524 96.684 32.792 1.00 0.00 WT2 O ATOM 32276 H1 TIP3 5673 88.946 96.703 31.933 1.00 0.00 WT2 H ATOM 32277 H2 TIP3 5673 88.782 95.842 33.168 1.00 0.00 WT2 H ATOM 32278 OH2 TIP3 5674 22.034 32.855 -7.449 1.00 0.00 WT2 O ATOM 32279 H1 TIP3 5674 21.927 33.339 -6.630 1.00 0.00 WT2 H ATOM 32280 H2 TIP3 5674 22.690 33.353 -7.938 1.00 0.00 WT2 H ATOM 32281 OH2 TIP3 5675 86.622 46.410 16.741 1.00 0.00 WT2 O ATOM 32282 H1 TIP3 5675 85.818 46.437 16.221 1.00 0.00 WT2 H ATOM 32283 H2 TIP3 5675 87.065 45.611 16.455 1.00 0.00 WT2 H ATOM 32284 OH2 TIP3 5676 60.828 12.964 23.587 1.00 0.00 WT2 O ATOM 32285 H1 TIP3 5676 60.605 12.049 23.758 1.00 0.00 WT2 H ATOM 32286 H2 TIP3 5676 61.608 13.124 24.117 1.00 0.00 WT2 H ATOM 32287 OH2 TIP3 5678 76.356 23.943 -19.015 1.00 0.00 WT2 O ATOM 32288 H1 TIP3 5678 75.902 23.140 -18.760 1.00 0.00 WT2 H ATOM 32289 H2 TIP3 5678 76.048 24.602 -18.392 1.00 0.00 WT2 H ATOM 32290 OH2 TIP3 5679 62.262 27.930 -15.874 1.00 0.00 WT2 O ATOM 32291 H1 TIP3 5679 62.174 28.556 -15.155 1.00 0.00 WT2 H ATOM 32292 H2 TIP3 5679 61.453 27.420 -15.848 1.00 0.00 WT2 H ATOM 32293 OH2 TIP3 5687 39.846 3.218 22.399 1.00 0.00 WT2 O ATOM 32294 H1 TIP3 5687 39.723 3.213 21.450 1.00 0.00 WT2 H ATOM 32295 H2 TIP3 5687 39.231 3.879 22.718 1.00 0.00 WT2 H ATOM 32296 OH2 TIP3 5690 63.975 94.041 -0.227 1.00 0.00 WT2 O ATOM 32297 H1 TIP3 5690 63.434 94.813 -0.063 1.00 0.00 WT2 H ATOM 32298 H2 TIP3 5690 63.359 93.308 -0.215 1.00 0.00 WT2 H ATOM 32299 OH2 TIP3 5692 52.393 14.414 -16.847 1.00 0.00 WT2 O ATOM 32300 H1 TIP3 5692 52.682 15.155 -17.380 1.00 0.00 WT2 H ATOM 32301 H2 TIP3 5692 52.820 13.653 -17.241 1.00 0.00 WT2 H ATOM 32302 OH2 TIP3 5693 49.457 48.923 3.971 1.00 0.00 WT2 O ATOM 32303 H1 TIP3 5693 50.127 49.272 4.559 1.00 0.00 WT2 H ATOM 32304 H2 TIP3 5693 49.492 49.493 3.203 1.00 0.00 WT2 H ATOM 32305 OH2 TIP3 5694 47.206 56.232 62.511 1.00 0.00 WT2 O ATOM 32306 H1 TIP3 5694 47.100 55.294 62.674 1.00 0.00 WT2 H ATOM 32307 H2 TIP3 5694 46.691 56.398 61.722 1.00 0.00 WT2 H ATOM 32308 OH2 TIP3 5695 55.451 31.894 47.618 1.00 0.00 WT2 O ATOM 32309 H1 TIP3 5695 54.912 31.104 47.579 1.00 0.00 WT2 H ATOM 32310 H2 TIP3 5695 55.510 32.190 46.710 1.00 0.00 WT2 H ATOM 32311 OH2 TIP3 5697 61.188 29.079 15.740 1.00 0.00 WT2 O ATOM 32312 H1 TIP3 5697 60.747 28.231 15.790 1.00 0.00 WT2 H ATOM 32313 H2 TIP3 5697 61.067 29.465 16.607 1.00 0.00 WT2 H ATOM 32314 OH2 TIP3 5702 70.994 57.209 56.070 1.00 0.00 WT2 O ATOM 32315 H1 TIP3 5702 71.147 57.431 56.989 1.00 0.00 WT2 H ATOM 32316 H2 TIP3 5702 70.868 58.053 55.637 1.00 0.00 WT2 H ATOM 32317 OH2 TIP3 5710 41.640 56.388 52.324 1.00 0.00 WT2 O ATOM 32318 H1 TIP3 5710 41.022 56.570 51.617 1.00 0.00 WT2 H ATOM 32319 H2 TIP3 5710 42.445 56.833 52.060 1.00 0.00 WT2 H ATOM 32320 OH2 TIP3 5711 52.931 21.557 43.540 1.00 0.00 WT2 O ATOM 32321 H1 TIP3 5711 52.719 21.066 44.334 1.00 0.00 WT2 H ATOM 32322 H2 TIP3 5711 53.190 22.423 43.855 1.00 0.00 WT2 H ATOM 32323 OH2 TIP3 5713 60.173 70.021 43.248 1.00 0.00 WT2 O ATOM 32324 H1 TIP3 5713 59.386 70.540 43.078 1.00 0.00 WT2 H ATOM 32325 H2 TIP3 5713 59.868 69.293 43.789 1.00 0.00 WT2 H ATOM 32326 OH2 TIP3 5714 50.619 0.899 36.513 1.00 0.00 WT2 O ATOM 32327 H1 TIP3 5714 51.533 0.783 36.254 1.00 0.00 WT2 H ATOM 32328 H2 TIP3 5714 50.513 0.334 37.279 1.00 0.00 WT2 H ATOM 32329 OH2 TIP3 5716 49.423 29.047 32.470 1.00 0.00 WT2 O ATOM 32330 H1 TIP3 5716 49.903 29.141 31.647 1.00 0.00 WT2 H ATOM 32331 H2 TIP3 5716 50.100 28.873 33.124 1.00 0.00 WT2 H ATOM 32332 OH2 TIP3 5717 67.545 31.063 39.341 1.00 0.00 WT2 O ATOM 32333 H1 TIP3 5717 67.209 31.354 40.189 1.00 0.00 WT2 H ATOM 32334 H2 TIP3 5717 68.161 31.747 39.080 1.00 0.00 WT2 H ATOM 32335 OH2 TIP3 5720 69.146 40.809 2.250 1.00 0.00 WT2 O ATOM 32336 H1 TIP3 5720 69.148 41.247 3.101 1.00 0.00 WT2 H ATOM 32337 H2 TIP3 5720 69.961 41.089 1.834 1.00 0.00 WT2 H ATOM 32338 OH2 TIP3 5730 58.380 44.442 58.477 1.00 0.00 WT2 O ATOM 32339 H1 TIP3 5730 58.189 44.700 59.379 1.00 0.00 WT2 H ATOM 32340 H2 TIP3 5730 59.295 44.691 58.345 1.00 0.00 WT2 H ATOM 32341 OH2 TIP3 5734 29.809 12.555 -16.558 1.00 0.00 WT2 O ATOM 32342 H1 TIP3 5734 29.939 11.618 -16.703 1.00 0.00 WT2 H ATOM 32343 H2 TIP3 5734 30.400 12.979 -17.180 1.00 0.00 WT2 H ATOM 32344 OH2 TIP3 5735 41.656 70.963 -19.318 1.00 0.00 WT2 O ATOM 32345 H1 TIP3 5735 41.486 71.267 -18.426 1.00 0.00 WT2 H ATOM 32346 H2 TIP3 5735 42.267 70.234 -19.211 1.00 0.00 WT2 H ATOM 32347 OH2 TIP3 5736 58.970 85.672 33.562 1.00 0.00 WT2 O ATOM 32348 H1 TIP3 5736 59.536 86.415 33.351 1.00 0.00 WT2 H ATOM 32349 H2 TIP3 5736 58.581 85.422 32.724 1.00 0.00 WT2 H ATOM 32350 OH2 TIP3 5738 83.304 81.842 33.641 1.00 0.00 WT2 O ATOM 32351 H1 TIP3 5738 84.043 81.254 33.798 1.00 0.00 WT2 H ATOM 32352 H2 TIP3 5738 82.542 81.362 33.965 1.00 0.00 WT2 H ATOM 32353 OH2 TIP3 5740 52.995 95.750 7.203 1.00 0.00 WT2 O ATOM 32354 H1 TIP3 5740 53.910 95.748 7.485 1.00 0.00 WT2 H ATOM 32355 H2 TIP3 5740 52.713 94.840 7.297 1.00 0.00 WT2 H ATOM 32356 OH2 TIP3 5743 68.191 38.143 -18.087 1.00 0.00 WT2 O ATOM 32357 H1 TIP3 5743 67.436 38.274 -17.512 1.00 0.00 WT2 H ATOM 32358 H2 TIP3 5743 68.948 38.186 -17.502 1.00 0.00 WT2 H ATOM 32359 OH2 TIP3 5755 85.724 95.420 43.314 1.00 0.00 WT2 O ATOM 32360 H1 TIP3 5755 84.812 95.630 43.111 1.00 0.00 WT2 H ATOM 32361 H2 TIP3 5755 85.871 94.568 42.906 1.00 0.00 WT2 H ATOM 32362 OH2 TIP3 5756 79.192 18.849 -7.461 1.00 0.00 WT2 O ATOM 32363 H1 TIP3 5756 78.533 18.949 -6.774 1.00 0.00 WT2 H ATOM 32364 H2 TIP3 5756 79.302 17.903 -7.552 1.00 0.00 WT2 H ATOM 32365 OH2 TIP3 5758 65.817 26.110 -7.564 1.00 0.00 WT2 O ATOM 32366 H1 TIP3 5758 65.753 25.406 -8.210 1.00 0.00 WT2 H ATOM 32367 H2 TIP3 5758 66.133 25.678 -6.770 1.00 0.00 WT2 H ATOM 32368 OH2 TIP3 5759 78.158 86.812 -19.234 1.00 0.00 WT2 O ATOM 32369 H1 TIP3 5759 78.842 86.996 -18.591 1.00 0.00 WT2 H ATOM 32370 H2 TIP3 5759 77.636 87.614 -19.266 1.00 0.00 WT2 H ATOM 32371 OH2 TIP3 5761 31.445 65.378 61.891 1.00 0.00 WT2 O ATOM 32372 H1 TIP3 5761 31.062 64.933 61.135 1.00 0.00 WT2 H ATOM 32373 H2 TIP3 5761 32.273 64.922 62.043 1.00 0.00 WT2 H ATOM 32374 OH2 TIP3 5762 43.940 10.267 67.368 1.00 0.00 WT2 O ATOM 32375 H1 TIP3 5762 44.780 9.834 67.523 1.00 0.00 WT2 H ATOM 32376 H2 TIP3 5762 44.106 10.854 66.631 1.00 0.00 WT2 H ATOM 32377 OH2 TIP3 5764 85.915 86.676 -6.119 1.00 0.00 WT2 O ATOM 32378 H1 TIP3 5764 86.532 86.341 -6.769 1.00 0.00 WT2 H ATOM 32379 H2 TIP3 5764 86.453 86.853 -5.347 1.00 0.00 WT2 H ATOM 32380 OH2 TIP3 5767 39.160 26.423 46.875 1.00 0.00 WT2 O ATOM 32381 H1 TIP3 5767 39.010 26.521 45.935 1.00 0.00 WT2 H ATOM 32382 H2 TIP3 5767 39.001 25.495 47.048 1.00 0.00 WT2 H ATOM 32383 OH2 TIP3 5768 73.850 87.220 -17.943 1.00 0.00 WT2 O ATOM 32384 H1 TIP3 5768 73.029 87.435 -17.500 1.00 0.00 WT2 H ATOM 32385 H2 TIP3 5768 74.067 88.008 -18.441 1.00 0.00 WT2 H ATOM 32386 OH2 TIP3 5775 63.724 48.144 46.875 1.00 0.00 WT2 O ATOM 32387 H1 TIP3 5775 63.758 47.443 46.224 1.00 0.00 WT2 H ATOM 32388 H2 TIP3 5775 63.261 48.857 46.436 1.00 0.00 WT2 H ATOM 32389 OH2 TIP3 5777 73.815 90.295 0.532 1.00 0.00 WT2 O ATOM 32390 H1 TIP3 5777 72.871 90.428 0.441 1.00 0.00 WT2 H ATOM 32391 H2 TIP3 5777 74.050 90.776 1.326 1.00 0.00 WT2 H ATOM 32392 OH2 TIP3 5778 78.889 3.083 54.057 1.00 0.00 WT2 O ATOM 32393 H1 TIP3 5778 78.071 2.791 53.655 1.00 0.00 WT2 H ATOM 32394 H2 TIP3 5778 78.992 2.522 54.826 1.00 0.00 WT2 H ATOM 32395 OH2 TIP3 5779 74.615 32.227 51.029 1.00 0.00 WT2 O ATOM 32396 H1 TIP3 5779 75.045 32.386 50.189 1.00 0.00 WT2 H ATOM 32397 H2 TIP3 5779 75.266 31.752 51.545 1.00 0.00 WT2 H ATOM 32398 OH2 TIP3 5780 80.270 78.308 62.331 1.00 0.00 WT2 O ATOM 32399 H1 TIP3 5780 81.193 78.516 62.476 1.00 0.00 WT2 H ATOM 32400 H2 TIP3 5780 80.281 77.458 61.891 1.00 0.00 WT2 H ATOM 32401 OH2 TIP3 5795 33.563 87.910 55.375 1.00 0.00 WT2 O ATOM 32402 H1 TIP3 5795 33.719 88.828 55.152 1.00 0.00 WT2 H ATOM 32403 H2 TIP3 5795 33.780 87.849 56.305 1.00 0.00 WT2 H ATOM 32404 OH2 TIP3 5797 57.582 1.506 -2.665 1.00 0.00 WT2 O ATOM 32405 H1 TIP3 5797 58.526 1.353 -2.636 1.00 0.00 WT2 H ATOM 32406 H2 TIP3 5797 57.263 1.201 -1.815 1.00 0.00 WT2 H ATOM 32407 OH2 TIP3 5798 55.735 26.882 50.978 1.00 0.00 WT2 O ATOM 32408 H1 TIP3 5798 54.855 26.689 50.654 1.00 0.00 WT2 H ATOM 32409 H2 TIP3 5798 55.769 27.837 51.025 1.00 0.00 WT2 H ATOM 32410 OH2 TIP3 5799 33.781 41.742 41.053 1.00 0.00 WT2 O ATOM 32411 H1 TIP3 5799 33.063 42.370 41.133 1.00 0.00 WT2 H ATOM 32412 H2 TIP3 5799 33.421 41.031 40.522 1.00 0.00 WT2 H ATOM 32413 OH2 TIP3 5800 49.653 22.313 47.779 1.00 0.00 WT2 O ATOM 32414 H1 TIP3 5800 49.038 23.039 47.674 1.00 0.00 WT2 H ATOM 32415 H2 TIP3 5800 49.549 21.793 46.981 1.00 0.00 WT2 H ATOM 32416 OH2 TIP3 5801 57.878 85.133 -10.418 1.00 0.00 WT2 O ATOM 32417 H1 TIP3 5801 57.360 84.679 -11.083 1.00 0.00 WT2 H ATOM 32418 H2 TIP3 5801 58.512 84.481 -10.121 1.00 0.00 WT2 H ATOM 32419 OH2 TIP3 5802 69.565 7.544 -16.362 1.00 0.00 WT2 O ATOM 32420 H1 TIP3 5802 70.463 7.213 -16.377 1.00 0.00 WT2 H ATOM 32421 H2 TIP3 5802 69.161 7.104 -15.614 1.00 0.00 WT2 H ATOM 32422 OH2 TIP3 5818 74.786 12.835 42.748 1.00 0.00 WT2 O ATOM 32423 H1 TIP3 5818 73.938 13.201 42.998 1.00 0.00 WT2 H ATOM 32424 H2 TIP3 5818 74.934 12.124 43.372 1.00 0.00 WT2 H ATOM 32425 OH2 TIP3 5819 21.338 1.365 30.492 1.00 0.00 WT2 O ATOM 32426 H1 TIP3 5819 21.479 1.568 31.416 1.00 0.00 WT2 H ATOM 32427 H2 TIP3 5819 21.082 2.200 30.099 1.00 0.00 WT2 H ATOM 32428 OH2 TIP3 5820 73.580 52.750 39.191 1.00 0.00 WT2 O ATOM 32429 H1 TIP3 5820 73.192 53.617 39.308 1.00 0.00 WT2 H ATOM 32430 H2 TIP3 5820 72.830 52.164 39.084 1.00 0.00 WT2 H ATOM 32431 OH2 TIP3 5821 66.385 22.596 -0.815 1.00 0.00 WT2 O ATOM 32432 H1 TIP3 5821 66.520 23.353 -0.245 1.00 0.00 WT2 H ATOM 32433 H2 TIP3 5821 65.512 22.277 -0.588 1.00 0.00 WT2 H ATOM 32434 OH2 TIP3 5822 24.186 52.102 23.375 1.00 0.00 WT2 O ATOM 32435 H1 TIP3 5822 25.014 52.524 23.149 1.00 0.00 WT2 H ATOM 32436 H2 TIP3 5822 24.389 51.573 24.147 1.00 0.00 WT2 H ATOM 32437 OH2 TIP3 5823 23.937 26.939 53.803 1.00 0.00 WT2 O ATOM 32438 H1 TIP3 5823 24.871 27.066 53.638 1.00 0.00 WT2 H ATOM 32439 H2 TIP3 5823 23.899 26.212 54.424 1.00 0.00 WT2 H ATOM 32440 OH2 TIP3 5825 70.265 80.318 2.940 1.00 0.00 WT2 O ATOM 32441 H1 TIP3 5825 69.530 80.335 2.327 1.00 0.00 WT2 H ATOM 32442 H2 TIP3 5825 70.485 79.390 3.024 1.00 0.00 WT2 H ATOM 32443 OH2 TIP3 5828 42.314 63.584 60.962 1.00 0.00 WT2 O ATOM 32444 H1 TIP3 5828 41.751 63.751 60.206 1.00 0.00 WT2 H ATOM 32445 H2 TIP3 5828 43.093 63.167 60.594 1.00 0.00 WT2 H ATOM 32446 OH2 TIP3 5836 67.492 78.946 49.094 1.00 0.00 WT2 O ATOM 32447 H1 TIP3 5836 68.334 78.490 49.112 1.00 0.00 WT2 H ATOM 32448 H2 TIP3 5836 66.986 78.488 48.423 1.00 0.00 WT2 H ATOM 32449 OH2 TIP3 5837 81.191 53.868 51.779 1.00 0.00 WT2 O ATOM 32450 H1 TIP3 5837 80.347 54.220 52.064 1.00 0.00 WT2 H ATOM 32451 H2 TIP3 5837 81.227 54.063 50.842 1.00 0.00 WT2 H ATOM 32452 OH2 TIP3 5839 42.796 23.188 29.316 1.00 0.00 WT2 O ATOM 32453 H1 TIP3 5839 42.827 22.878 28.411 1.00 0.00 WT2 H ATOM 32454 H2 TIP3 5839 42.970 22.409 29.843 1.00 0.00 WT2 H ATOM 32455 OH2 TIP3 5840 59.075 50.185 40.626 1.00 0.00 WT2 O ATOM 32456 H1 TIP3 5840 59.531 50.764 40.014 1.00 0.00 WT2 H ATOM 32457 H2 TIP3 5840 58.162 50.205 40.339 1.00 0.00 WT2 H ATOM 32458 OH2 TIP3 5841 75.474 3.341 -15.245 1.00 0.00 WT2 O ATOM 32459 H1 TIP3 5841 75.341 3.142 -16.172 1.00 0.00 WT2 H ATOM 32460 H2 TIP3 5841 74.784 3.968 -15.033 1.00 0.00 WT2 H ATOM 32461 OH2 TIP3 5843 82.304 10.225 35.852 1.00 0.00 WT2 O ATOM 32462 H1 TIP3 5843 82.596 10.624 36.672 1.00 0.00 WT2 H ATOM 32463 H2 TIP3 5843 82.749 9.377 35.826 1.00 0.00 WT2 H ATOM 32464 OH2 TIP3 5844 35.644 46.103 45.517 1.00 0.00 WT2 O ATOM 32465 H1 TIP3 5844 36.221 46.805 45.218 1.00 0.00 WT2 H ATOM 32466 H2 TIP3 5844 34.773 46.501 45.538 1.00 0.00 WT2 H ATOM 32467 OH2 TIP3 5846 58.018 30.432 43.422 1.00 0.00 WT2 O ATOM 32468 H1 TIP3 5846 58.506 31.097 42.937 1.00 0.00 WT2 H ATOM 32469 H2 TIP3 5846 57.298 30.913 43.831 1.00 0.00 WT2 H ATOM 32470 OH2 TIP3 5859 61.882 15.368 53.793 1.00 0.00 WT2 O ATOM 32471 H1 TIP3 5859 61.894 15.832 54.630 1.00 0.00 WT2 H ATOM 32472 H2 TIP3 5859 61.457 15.975 53.187 1.00 0.00 WT2 H ATOM 32473 OH2 TIP3 5860 46.703 80.425 36.602 1.00 0.00 WT2 O ATOM 32474 H1 TIP3 5860 47.564 80.050 36.418 1.00 0.00 WT2 H ATOM 32475 H2 TIP3 5860 46.212 80.309 35.789 1.00 0.00 WT2 H ATOM 32476 OH2 TIP3 5861 45.370 11.777 37.568 1.00 0.00 WT2 O ATOM 32477 H1 TIP3 5861 45.866 10.990 37.790 1.00 0.00 WT2 H ATOM 32478 H2 TIP3 5861 45.452 11.852 36.617 1.00 0.00 WT2 H ATOM 32479 OH2 TIP3 5862 41.875 83.174 -15.867 1.00 0.00 WT2 O ATOM 32480 H1 TIP3 5862 42.476 82.433 -15.787 1.00 0.00 WT2 H ATOM 32481 H2 TIP3 5862 42.419 83.943 -15.694 1.00 0.00 WT2 H ATOM 32482 OH2 TIP3 5863 58.896 41.828 61.699 1.00 0.00 WT2 O ATOM 32483 H1 TIP3 5863 58.437 41.009 61.886 1.00 0.00 WT2 H ATOM 32484 H2 TIP3 5863 58.646 42.042 60.800 1.00 0.00 WT2 H ATOM 32485 OH2 TIP3 5865 52.726 14.444 67.130 1.00 0.00 WT2 O ATOM 32486 H1 TIP3 5865 53.478 13.885 66.932 1.00 0.00 WT2 H ATOM 32487 H2 TIP3 5865 52.899 15.256 66.652 1.00 0.00 WT2 H ATOM 32488 OH2 TIP3 5866 82.919 84.660 34.700 1.00 0.00 WT2 O ATOM 32489 H1 TIP3 5866 83.011 83.739 34.455 1.00 0.00 WT2 H ATOM 32490 H2 TIP3 5866 82.568 85.082 33.916 1.00 0.00 WT2 H ATOM 32491 OH2 TIP3 5869 43.356 23.640 63.283 1.00 0.00 WT2 O ATOM 32492 H1 TIP3 5869 42.526 23.165 63.261 1.00 0.00 WT2 H ATOM 32493 H2 TIP3 5869 43.788 23.407 62.461 1.00 0.00 WT2 H ATOM 32494 OH2 TIP3 5881 43.148 16.633 32.081 1.00 0.00 WT2 O ATOM 32495 H1 TIP3 5881 43.831 17.247 31.813 1.00 0.00 WT2 H ATOM 32496 H2 TIP3 5881 43.427 15.791 31.720 1.00 0.00 WT2 H ATOM 32497 OH2 TIP3 5883 20.500 54.252 18.244 1.00 0.00 WT2 O ATOM 32498 H1 TIP3 5883 21.264 54.697 18.609 1.00 0.00 WT2 H ATOM 32499 H2 TIP3 5883 20.777 53.977 17.370 1.00 0.00 WT2 H ATOM 32500 OH2 TIP3 5884 57.874 63.407 58.404 1.00 0.00 WT2 O ATOM 32501 H1 TIP3 5884 57.270 63.379 59.146 1.00 0.00 WT2 H ATOM 32502 H2 TIP3 5884 57.314 63.299 57.635 1.00 0.00 WT2 H ATOM 32503 OH2 TIP3 5885 61.850 38.018 51.287 1.00 0.00 WT2 O ATOM 32504 H1 TIP3 5885 62.732 38.145 51.636 1.00 0.00 WT2 H ATOM 32505 H2 TIP3 5885 61.981 37.522 50.479 1.00 0.00 WT2 H ATOM 32506 OH2 TIP3 5886 32.173 72.238 21.691 1.00 0.00 WT2 O ATOM 32507 H1 TIP3 5886 32.499 72.806 22.388 1.00 0.00 WT2 H ATOM 32508 H2 TIP3 5886 32.782 71.500 21.677 1.00 0.00 WT2 H ATOM 32509 OH2 TIP3 5887 71.186 8.893 63.539 1.00 0.00 WT2 O ATOM 32510 H1 TIP3 5887 70.374 8.408 63.393 1.00 0.00 WT2 H ATOM 32511 H2 TIP3 5887 71.145 9.158 64.458 1.00 0.00 WT2 H ATOM 32512 OH2 TIP3 5889 83.186 4.100 34.323 1.00 0.00 WT2 O ATOM 32513 H1 TIP3 5889 82.295 3.755 34.383 1.00 0.00 WT2 H ATOM 32514 H2 TIP3 5889 83.748 3.334 34.441 1.00 0.00 WT2 H ATOM 32515 OH2 TIP3 5899 65.422 26.666 50.024 1.00 0.00 WT2 O ATOM 32516 H1 TIP3 5899 65.954 26.912 50.781 1.00 0.00 WT2 H ATOM 32517 H2 TIP3 5899 66.035 26.669 49.288 1.00 0.00 WT2 H ATOM 32518 OH2 TIP3 5901 34.316 47.414 4.459 1.00 0.00 WT2 O ATOM 32519 H1 TIP3 5901 34.562 47.598 5.365 1.00 0.00 WT2 H ATOM 32520 H2 TIP3 5901 34.669 48.151 3.960 1.00 0.00 WT2 H ATOM 32521 OH2 TIP3 5903 49.080 56.835 53.252 1.00 0.00 WT2 O ATOM 32522 H1 TIP3 5903 48.420 56.305 52.805 1.00 0.00 WT2 H ATOM 32523 H2 TIP3 5903 48.924 57.726 52.941 1.00 0.00 WT2 H ATOM 32524 OH2 TIP3 5904 52.734 60.161 -13.411 1.00 0.00 WT2 O ATOM 32525 H1 TIP3 5904 52.798 59.580 -12.653 1.00 0.00 WT2 H ATOM 32526 H2 TIP3 5904 52.247 60.920 -13.091 1.00 0.00 WT2 H ATOM 32527 OH2 TIP3 5905 57.531 10.449 39.783 1.00 0.00 WT2 O ATOM 32528 H1 TIP3 5905 57.862 10.276 40.665 1.00 0.00 WT2 H ATOM 32529 H2 TIP3 5905 57.716 11.377 39.636 1.00 0.00 WT2 H ATOM 32530 OH2 TIP3 5906 55.620 27.792 60.068 1.00 0.00 WT2 O ATOM 32531 H1 TIP3 5906 56.150 27.975 59.292 1.00 0.00 WT2 H ATOM 32532 H2 TIP3 5906 54.792 28.243 59.904 1.00 0.00 WT2 H ATOM 32533 OH2 TIP3 5909 39.830 37.115 32.777 1.00 0.00 WT2 O ATOM 32534 H1 TIP3 5909 39.831 37.976 32.360 1.00 0.00 WT2 H ATOM 32535 H2 TIP3 5909 39.815 36.495 32.048 1.00 0.00 WT2 H ATOM 32536 OH2 TIP3 5911 22.225 91.021 -19.295 1.00 0.00 WT2 O ATOM 32537 H1 TIP3 5911 21.320 91.325 -19.364 1.00 0.00 WT2 H ATOM 32538 H2 TIP3 5911 22.168 90.210 -18.790 1.00 0.00 WT2 H ATOM 32539 OH2 TIP3 5920 87.859 71.270 5.329 1.00 0.00 WT2 O ATOM 32540 H1 TIP3 5920 88.032 71.056 4.413 1.00 0.00 WT2 H ATOM 32541 H2 TIP3 5920 87.820 70.422 5.771 1.00 0.00 WT2 H ATOM 32542 OH2 TIP3 5925 71.229 19.573 -16.435 1.00 0.00 WT2 O ATOM 32543 H1 TIP3 5925 71.118 20.516 -16.317 1.00 0.00 WT2 H ATOM 32544 H2 TIP3 5925 71.880 19.324 -15.778 1.00 0.00 WT2 H ATOM 32545 OH2 TIP3 5926 61.159 66.693 -2.958 1.00 0.00 WT2 O ATOM 32546 H1 TIP3 5926 60.462 66.659 -2.303 1.00 0.00 WT2 H ATOM 32547 H2 TIP3 5926 60.784 67.196 -3.681 1.00 0.00 WT2 H ATOM 32548 OH2 TIP3 5927 50.009 4.706 51.640 1.00 0.00 WT2 O ATOM 32549 H1 TIP3 5927 50.592 4.333 50.979 1.00 0.00 WT2 H ATOM 32550 H2 TIP3 5927 50.448 4.530 52.473 1.00 0.00 WT2 H ATOM 32551 OH2 TIP3 5928 53.780 39.916 -14.476 1.00 0.00 WT2 O ATOM 32552 H1 TIP3 5928 54.358 39.198 -14.217 1.00 0.00 WT2 H ATOM 32553 H2 TIP3 5928 53.120 39.955 -13.784 1.00 0.00 WT2 H ATOM 32554 OH2 TIP3 5941 61.502 43.624 -15.138 1.00 0.00 WT2 O ATOM 32555 H1 TIP3 5941 62.447 43.730 -15.252 1.00 0.00 WT2 H ATOM 32556 H2 TIP3 5941 61.199 44.480 -14.838 1.00 0.00 WT2 H ATOM 32557 OH2 TIP3 5945 69.248 38.773 -1.076 1.00 0.00 WT2 O ATOM 32558 H1 TIP3 5945 69.155 39.024 -1.995 1.00 0.00 WT2 H ATOM 32559 H2 TIP3 5945 70.127 38.397 -1.017 1.00 0.00 WT2 H ATOM 32560 OH2 TIP3 5946 34.852 40.014 65.218 1.00 0.00 WT2 O ATOM 32561 H1 TIP3 5946 34.277 39.722 65.925 1.00 0.00 WT2 H ATOM 32562 H2 TIP3 5946 34.541 40.893 65.002 1.00 0.00 WT2 H ATOM 32563 OH2 TIP3 5947 45.332 38.823 7.349 1.00 0.00 WT2 O ATOM 32564 H1 TIP3 5947 45.177 38.979 8.281 1.00 0.00 WT2 H ATOM 32565 H2 TIP3 5947 45.969 38.109 7.328 1.00 0.00 WT2 H ATOM 32566 OH2 TIP3 5948 31.154 95.273 10.690 1.00 0.00 WT2 O ATOM 32567 H1 TIP3 5948 30.431 94.684 10.471 1.00 0.00 WT2 H ATOM 32568 H2 TIP3 5948 31.062 96.004 10.079 1.00 0.00 WT2 H ATOM 32569 OH2 TIP3 5949 62.551 88.203 34.757 1.00 0.00 WT2 O ATOM 32570 H1 TIP3 5949 62.736 88.548 35.631 1.00 0.00 WT2 H ATOM 32571 H2 TIP3 5949 61.639 87.916 34.801 1.00 0.00 WT2 H ATOM 32572 OH2 TIP3 5950 81.946 75.140 15.476 1.00 0.00 WT2 O ATOM 32573 H1 TIP3 5950 81.136 74.806 15.863 1.00 0.00 WT2 H ATOM 32574 H2 TIP3 5950 82.325 74.386 15.025 1.00 0.00 WT2 H ATOM 32575 OH2 TIP3 5964 63.314 15.271 62.797 1.00 0.00 WT2 O ATOM 32576 H1 TIP3 5964 62.552 14.837 63.180 1.00 0.00 WT2 H ATOM 32577 H2 TIP3 5964 62.945 15.943 62.223 1.00 0.00 WT2 H ATOM 32578 OH2 TIP3 5965 68.628 17.666 18.717 1.00 0.00 WT2 O ATOM 32579 H1 TIP3 5965 68.779 18.535 18.346 1.00 0.00 WT2 H ATOM 32580 H2 TIP3 5965 67.947 17.283 18.164 1.00 0.00 WT2 H ATOM 32581 OH2 TIP3 5966 80.592 95.019 24.665 1.00 0.00 WT2 O ATOM 32582 H1 TIP3 5966 80.575 94.954 25.620 1.00 0.00 WT2 H ATOM 32583 H2 TIP3 5966 79.935 95.683 24.457 1.00 0.00 WT2 H ATOM 32584 OH2 TIP3 5968 47.968 27.065 34.217 1.00 0.00 WT2 O ATOM 32585 H1 TIP3 5968 48.323 27.939 34.054 1.00 0.00 WT2 H ATOM 32586 H2 TIP3 5968 47.341 26.924 33.508 1.00 0.00 WT2 H ATOM 32587 OH2 TIP3 5969 54.877 39.225 50.659 1.00 0.00 WT2 O ATOM 32588 H1 TIP3 5969 54.459 40.076 50.784 1.00 0.00 WT2 H ATOM 32589 H2 TIP3 5969 54.220 38.590 50.945 1.00 0.00 WT2 H ATOM 32590 OH2 TIP3 5970 75.523 7.013 8.713 1.00 0.00 WT2 O ATOM 32591 H1 TIP3 5970 74.834 7.677 8.739 1.00 0.00 WT2 H ATOM 32592 H2 TIP3 5970 75.083 6.223 8.399 1.00 0.00 WT2 H ATOM 32593 OH2 TIP3 5986 82.044 27.708 16.108 1.00 0.00 WT2 O ATOM 32594 H1 TIP3 5986 81.130 27.494 16.297 1.00 0.00 WT2 H ATOM 32595 H2 TIP3 5986 82.401 27.998 16.948 1.00 0.00 WT2 H ATOM 32596 OH2 TIP3 5987 77.085 53.274 -10.499 1.00 0.00 WT2 O ATOM 32597 H1 TIP3 5987 77.676 52.537 -10.348 1.00 0.00 WT2 H ATOM 32598 H2 TIP3 5987 76.209 52.887 -10.482 1.00 0.00 WT2 H ATOM 32599 OH2 TIP3 5988 54.043 41.865 51.030 1.00 0.00 WT2 O ATOM 32600 H1 TIP3 5988 53.283 41.642 50.493 1.00 0.00 WT2 H ATOM 32601 H2 TIP3 5988 53.847 42.736 51.374 1.00 0.00 WT2 H ATOM 32602 OH2 TIP3 5989 48.477 34.471 50.713 1.00 0.00 WT2 O ATOM 32603 H1 TIP3 5989 47.850 33.889 51.141 1.00 0.00 WT2 H ATOM 32604 H2 TIP3 5989 47.948 35.203 50.397 1.00 0.00 WT2 H ATOM 32605 OH2 TIP3 5990 42.293 36.889 -4.784 1.00 0.00 WT2 O ATOM 32606 H1 TIP3 5990 43.224 37.091 -4.699 1.00 0.00 WT2 H ATOM 32607 H2 TIP3 5990 42.248 36.264 -5.508 1.00 0.00 WT2 H ATOM 32608 OH2 TIP3 5991 60.017 33.031 -17.147 1.00 0.00 WT2 O ATOM 32609 H1 TIP3 5991 60.321 33.856 -16.769 1.00 0.00 WT2 H ATOM 32610 H2 TIP3 5991 59.621 33.281 -17.982 1.00 0.00 WT2 H ATOM 32611 OH2 TIP3 5992 70.477 36.859 -8.486 1.00 0.00 WT2 O ATOM 32612 H1 TIP3 5992 71.150 36.567 -9.101 1.00 0.00 WT2 H ATOM 32613 H2 TIP3 5992 70.535 37.814 -8.502 1.00 0.00 WT2 H ATOM 32614 OH2 TIP3 5994 82.453 25.151 53.931 1.00 0.00 WT2 O ATOM 32615 H1 TIP3 5994 82.528 26.072 53.680 1.00 0.00 WT2 H ATOM 32616 H2 TIP3 5994 82.054 24.727 53.172 1.00 0.00 WT2 H ATOM 32617 OH2 TIP3 6006 35.423 43.273 43.397 1.00 0.00 WT2 O ATOM 32618 H1 TIP3 6006 34.742 42.630 43.200 1.00 0.00 WT2 H ATOM 32619 H2 TIP3 6006 35.584 43.173 44.335 1.00 0.00 WT2 H ATOM 32620 OH2 TIP3 6009 45.688 35.404 -0.363 1.00 0.00 WT2 O ATOM 32621 H1 TIP3 6009 45.341 36.273 -0.161 1.00 0.00 WT2 H ATOM 32622 H2 TIP3 6009 45.560 34.902 0.442 1.00 0.00 WT2 H ATOM 32623 OH2 TIP3 6011 82.047 57.383 30.349 1.00 0.00 WT2 O ATOM 32624 H1 TIP3 6011 81.092 57.372 30.295 1.00 0.00 WT2 H ATOM 32625 H2 TIP3 6011 82.339 57.393 29.437 1.00 0.00 WT2 H ATOM 32626 OH2 TIP3 6013 36.025 40.219 -8.900 1.00 0.00 WT2 O ATOM 32627 H1 TIP3 6013 35.256 39.665 -8.765 1.00 0.00 WT2 H ATOM 32628 H2 TIP3 6013 36.279 40.496 -8.020 1.00 0.00 WT2 H ATOM 32629 OH2 TIP3 6014 84.166 86.744 18.374 1.00 0.00 WT2 O ATOM 32630 H1 TIP3 6014 84.502 85.903 18.686 1.00 0.00 WT2 H ATOM 32631 H2 TIP3 6014 83.232 86.591 18.233 1.00 0.00 WT2 H ATOM 32632 OH2 TIP3 6019 57.299 24.319 57.945 1.00 0.00 WT2 O ATOM 32633 H1 TIP3 6019 56.712 24.943 57.518 1.00 0.00 WT2 H ATOM 32634 H2 TIP3 6019 56.720 23.766 58.470 1.00 0.00 WT2 H ATOM 32635 OH2 TIP3 6027 56.652 14.190 -13.779 1.00 0.00 WT2 O ATOM 32636 H1 TIP3 6027 56.446 14.236 -14.712 1.00 0.00 WT2 H ATOM 32637 H2 TIP3 6027 57.408 14.768 -13.672 1.00 0.00 WT2 H ATOM 32638 OH2 TIP3 6028 27.531 48.447 9.847 1.00 0.00 WT2 O ATOM 32639 H1 TIP3 6028 28.269 48.838 10.313 1.00 0.00 WT2 H ATOM 32640 H2 TIP3 6028 27.820 48.400 8.935 1.00 0.00 WT2 H ATOM 32641 OH2 TIP3 6029 64.261 30.037 17.624 1.00 0.00 WT2 O ATOM 32642 H1 TIP3 6029 63.936 30.260 18.496 1.00 0.00 WT2 H ATOM 32643 H2 TIP3 6029 63.474 29.977 17.083 1.00 0.00 WT2 H ATOM 32644 OH2 TIP3 6030 76.832 64.579 63.781 1.00 0.00 WT2 O ATOM 32645 H1 TIP3 6030 77.581 64.604 64.377 1.00 0.00 WT2 H ATOM 32646 H2 TIP3 6030 77.157 64.117 63.008 1.00 0.00 WT2 H ATOM 32647 OH2 TIP3 6031 41.045 95.430 -3.827 1.00 0.00 WT2 O ATOM 32648 H1 TIP3 6031 41.776 94.915 -3.483 1.00 0.00 WT2 H ATOM 32649 H2 TIP3 6031 40.502 94.794 -4.292 1.00 0.00 WT2 H ATOM 32650 OH2 TIP3 6034 36.278 37.904 13.906 1.00 0.00 WT2 O ATOM 32651 H1 TIP3 6034 37.168 37.901 13.554 1.00 0.00 WT2 H ATOM 32652 H2 TIP3 6034 36.384 38.150 14.825 1.00 0.00 WT2 H ATOM 32653 OH2 TIP3 6035 45.515 55.912 49.111 1.00 0.00 WT2 O ATOM 32654 H1 TIP3 6035 45.500 54.958 49.034 1.00 0.00 WT2 H ATOM 32655 H2 TIP3 6035 44.758 56.207 48.605 1.00 0.00 WT2 H ATOM 32656 OH2 TIP3 6036 80.833 34.178 -16.994 1.00 0.00 WT2 O ATOM 32657 H1 TIP3 6036 80.462 35.010 -17.290 1.00 0.00 WT2 H ATOM 32658 H2 TIP3 6036 81.715 34.163 -17.367 1.00 0.00 WT2 H ATOM 32659 OH2 TIP3 6037 73.840 22.582 39.120 1.00 0.00 WT2 O ATOM 32660 H1 TIP3 6037 74.728 22.378 39.415 1.00 0.00 WT2 H ATOM 32661 H2 TIP3 6037 73.912 22.645 38.168 1.00 0.00 WT2 H ATOM 32662 OH2 TIP3 6046 70.276 63.630 39.393 1.00 0.00 WT2 O ATOM 32663 H1 TIP3 6046 69.736 63.652 38.603 1.00 0.00 WT2 H ATOM 32664 H2 TIP3 6046 70.758 62.805 39.331 1.00 0.00 WT2 H ATOM 32665 OH2 TIP3 6048 44.105 39.564 61.523 1.00 0.00 WT2 O ATOM 32666 H1 TIP3 6048 43.398 40.080 61.910 1.00 0.00 WT2 H ATOM 32667 H2 TIP3 6048 43.693 39.104 60.792 1.00 0.00 WT2 H ATOM 32668 OH2 TIP3 6049 27.079 45.005 40.457 1.00 0.00 WT2 O ATOM 32669 H1 TIP3 6049 26.799 44.189 40.042 1.00 0.00 WT2 H ATOM 32670 H2 TIP3 6049 27.708 44.731 41.124 1.00 0.00 WT2 H ATOM 32671 OH2 TIP3 6051 25.190 20.886 50.855 1.00 0.00 WT2 O ATOM 32672 H1 TIP3 6051 25.415 19.958 50.788 1.00 0.00 WT2 H ATOM 32673 H2 TIP3 6051 24.982 21.017 51.780 1.00 0.00 WT2 H ATOM 32674 OH2 TIP3 6054 28.105 35.880 59.932 1.00 0.00 WT2 O ATOM 32675 H1 TIP3 6054 27.972 36.744 60.323 1.00 0.00 WT2 H ATOM 32676 H2 TIP3 6054 28.523 36.060 59.090 1.00 0.00 WT2 H ATOM 32677 OH2 TIP3 6068 55.883 55.514 53.597 1.00 0.00 WT2 O ATOM 32678 H1 TIP3 6068 55.903 56.146 52.879 1.00 0.00 WT2 H ATOM 32679 H2 TIP3 6068 55.067 55.703 54.061 1.00 0.00 WT2 H ATOM 32680 OH2 TIP3 6070 86.424 75.595 6.829 1.00 0.00 WT2 O ATOM 32681 H1 TIP3 6070 87.049 76.112 6.321 1.00 0.00 WT2 H ATOM 32682 H2 TIP3 6070 86.962 75.125 7.466 1.00 0.00 WT2 H ATOM 32683 OH2 TIP3 6072 59.411 14.747 51.513 1.00 0.00 WT2 O ATOM 32684 H1 TIP3 6072 59.198 15.170 50.681 1.00 0.00 WT2 H ATOM 32685 H2 TIP3 6072 58.681 14.972 52.090 1.00 0.00 WT2 H ATOM 32686 OH2 TIP3 6073 50.570 29.194 40.498 1.00 0.00 WT2 O ATOM 32687 H1 TIP3 6073 51.200 28.841 39.870 1.00 0.00 WT2 H ATOM 32688 H2 TIP3 6073 49.715 28.944 40.148 1.00 0.00 WT2 H ATOM 32689 OH2 TIP3 6074 36.017 30.955 -9.666 1.00 0.00 WT2 O ATOM 32690 H1 TIP3 6074 36.452 31.764 -9.936 1.00 0.00 WT2 H ATOM 32691 H2 TIP3 6074 35.093 31.191 -9.594 1.00 0.00 WT2 H ATOM 32692 OH2 TIP3 6075 57.492 83.365 -17.247 1.00 0.00 WT2 O ATOM 32693 H1 TIP3 6075 58.300 83.106 -17.689 1.00 0.00 WT2 H ATOM 32694 H2 TIP3 6075 56.829 82.766 -17.588 1.00 0.00 WT2 H ATOM 32695 OH2 TIP3 6077 62.643 96.068 -6.651 1.00 0.00 WT2 O ATOM 32696 H1 TIP3 6077 63.062 95.766 -7.457 1.00 0.00 WT2 H ATOM 32697 H2 TIP3 6077 63.343 96.502 -6.164 1.00 0.00 WT2 H ATOM 32698 OH2 TIP3 6079 77.354 22.272 56.849 1.00 0.00 WT2 O ATOM 32699 H1 TIP3 6079 77.545 21.634 56.162 1.00 0.00 WT2 H ATOM 32700 H2 TIP3 6079 76.432 22.495 56.720 1.00 0.00 WT2 H ATOM 32701 OH2 TIP3 6090 58.579 87.727 58.915 1.00 0.00 WT2 O ATOM 32702 H1 TIP3 6090 58.482 88.016 58.007 1.00 0.00 WT2 H ATOM 32703 H2 TIP3 6090 57.687 87.720 59.262 1.00 0.00 WT2 H ATOM 32704 OH2 TIP3 6091 72.006 94.268 20.722 1.00 0.00 WT2 O ATOM 32705 H1 TIP3 6091 71.359 94.447 21.405 1.00 0.00 WT2 H ATOM 32706 H2 TIP3 6091 71.771 94.860 20.007 1.00 0.00 WT2 H ATOM 32707 OH2 TIP3 6093 76.593 34.339 -18.817 1.00 0.00 WT2 O ATOM 32708 H1 TIP3 6093 76.612 33.946 -19.689 1.00 0.00 WT2 H ATOM 32709 H2 TIP3 6093 75.677 34.579 -18.681 1.00 0.00 WT2 H ATOM 32710 OH2 TIP3 6095 86.337 57.003 18.754 1.00 0.00 WT2 O ATOM 32711 H1 TIP3 6095 85.433 57.188 18.499 1.00 0.00 WT2 H ATOM 32712 H2 TIP3 6095 86.272 56.244 19.333 1.00 0.00 WT2 H ATOM 32713 OH2 TIP3 6096 78.913 46.247 -11.282 1.00 0.00 WT2 O ATOM 32714 H1 TIP3 6096 79.163 46.192 -10.359 1.00 0.00 WT2 H ATOM 32715 H2 TIP3 6096 79.672 46.641 -11.713 1.00 0.00 WT2 H ATOM 32716 OH2 TIP3 6097 23.066 59.972 27.364 1.00 0.00 WT2 O ATOM 32717 H1 TIP3 6097 22.790 60.062 28.277 1.00 0.00 WT2 H ATOM 32718 H2 TIP3 6097 23.837 60.534 27.290 1.00 0.00 WT2 H ATOM 32719 OH2 TIP3 6098 45.128 35.932 24.422 1.00 0.00 WT2 O ATOM 32720 H1 TIP3 6098 44.234 35.841 24.094 1.00 0.00 WT2 H ATOM 32721 H2 TIP3 6098 45.615 36.314 23.691 1.00 0.00 WT2 H ATOM 32722 OH2 TIP3 6100 71.330 41.541 -8.803 1.00 0.00 WT2 O ATOM 32723 H1 TIP3 6100 70.814 42.338 -8.679 1.00 0.00 WT2 H ATOM 32724 H2 TIP3 6100 71.947 41.539 -8.072 1.00 0.00 WT2 H ATOM 32725 OH2 TIP3 6102 45.020 45.701 38.604 1.00 0.00 WT2 O ATOM 32726 H1 TIP3 6102 45.422 45.447 39.435 1.00 0.00 WT2 H ATOM 32727 H2 TIP3 6102 45.759 45.910 38.034 1.00 0.00 WT2 H ATOM 32728 OH2 TIP3 6110 43.798 21.739 51.035 1.00 0.00 WT2 O ATOM 32729 H1 TIP3 6110 44.557 21.487 50.509 1.00 0.00 WT2 H ATOM 32730 H2 TIP3 6110 43.043 21.512 50.493 1.00 0.00 WT2 H ATOM 32731 OH2 TIP3 6112 78.170 11.902 -14.352 1.00 0.00 WT2 O ATOM 32732 H1 TIP3 6112 77.528 11.196 -14.434 1.00 0.00 WT2 H ATOM 32733 H2 TIP3 6112 78.304 11.996 -13.409 1.00 0.00 WT2 H ATOM 32734 OH2 TIP3 6113 88.153 28.311 8.926 1.00 0.00 WT2 O ATOM 32735 H1 TIP3 6113 88.275 29.240 8.726 1.00 0.00 WT2 H ATOM 32736 H2 TIP3 6113 87.356 28.067 8.456 1.00 0.00 WT2 H ATOM 32737 OH2 TIP3 6115 51.276 44.356 -18.826 1.00 0.00 WT2 O ATOM 32738 H1 TIP3 6115 50.864 45.213 -18.933 1.00 0.00 WT2 H ATOM 32739 H2 TIP3 6115 51.541 44.331 -17.906 1.00 0.00 WT2 H ATOM 32740 OH2 TIP3 6116 84.649 5.692 62.130 1.00 0.00 WT2 O ATOM 32741 H1 TIP3 6116 85.414 5.641 61.556 1.00 0.00 WT2 H ATOM 32742 H2 TIP3 6116 84.705 4.906 62.674 1.00 0.00 WT2 H ATOM 32743 OH2 TIP3 6117 59.708 37.545 -1.167 1.00 0.00 WT2 O ATOM 32744 H1 TIP3 6117 59.381 38.423 -1.361 1.00 0.00 WT2 H ATOM 32745 H2 TIP3 6117 58.943 36.978 -1.262 1.00 0.00 WT2 H ATOM 32746 OH2 TIP3 6120 60.156 62.871 41.066 1.00 0.00 WT2 O ATOM 32747 H1 TIP3 6120 59.493 63.467 40.718 1.00 0.00 WT2 H ATOM 32748 H2 TIP3 6120 60.316 62.249 40.356 1.00 0.00 WT2 H ATOM 32749 OH2 TIP3 6132 86.655 77.454 37.328 1.00 0.00 WT2 O ATOM 32750 H1 TIP3 6132 86.159 76.683 37.051 1.00 0.00 WT2 H ATOM 32751 H2 TIP3 6132 86.023 77.984 37.813 1.00 0.00 WT2 H ATOM 32752 OH2 TIP3 6133 55.131 56.911 -17.144 1.00 0.00 WT2 O ATOM 32753 H1 TIP3 6133 54.210 56.675 -17.253 1.00 0.00 WT2 H ATOM 32754 H2 TIP3 6133 55.120 57.856 -16.987 1.00 0.00 WT2 H ATOM 32755 OH2 TIP3 6134 78.235 95.753 53.294 1.00 0.00 WT2 O ATOM 32756 H1 TIP3 6134 77.306 95.970 53.214 1.00 0.00 WT2 H ATOM 32757 H2 TIP3 6134 78.421 95.833 54.230 1.00 0.00 WT2 H ATOM 32758 OH2 TIP3 6136 81.711 75.783 -13.329 1.00 0.00 WT2 O ATOM 32759 H1 TIP3 6136 82.302 75.933 -12.592 1.00 0.00 WT2 H ATOM 32760 H2 TIP3 6136 82.291 75.644 -14.078 1.00 0.00 WT2 H ATOM 32761 OH2 TIP3 6137 56.462 8.142 -19.821 1.00 0.00 WT2 O ATOM 32762 H1 TIP3 6137 56.308 7.648 -19.016 1.00 0.00 WT2 H ATOM 32763 H2 TIP3 6137 57.409 8.280 -19.842 1.00 0.00 WT2 H ATOM 32764 OH2 TIP3 6138 64.858 17.017 -3.527 1.00 0.00 WT2 O ATOM 32765 H1 TIP3 6138 64.257 17.329 -2.850 1.00 0.00 WT2 H ATOM 32766 H2 TIP3 6138 64.680 17.580 -4.282 1.00 0.00 WT2 H ATOM 32767 OH2 TIP3 6141 52.718 77.951 56.171 1.00 0.00 WT2 O ATOM 32768 H1 TIP3 6141 52.870 78.359 55.318 1.00 0.00 WT2 H ATOM 32769 H2 TIP3 6141 52.934 77.028 56.038 1.00 0.00 WT2 H ATOM 32770 OH2 TIP3 6155 40.388 87.859 66.631 1.00 0.00 WT2 O ATOM 32771 H1 TIP3 6155 40.361 87.231 65.909 1.00 0.00 WT2 H ATOM 32772 H2 TIP3 6155 39.580 87.700 67.119 1.00 0.00 WT2 H ATOM 32773 OH2 TIP3 6158 41.123 35.623 51.690 1.00 0.00 WT2 O ATOM 32774 H1 TIP3 6158 42.008 35.954 51.535 1.00 0.00 WT2 H ATOM 32775 H2 TIP3 6158 40.970 35.003 50.977 1.00 0.00 WT2 H ATOM 32776 OH2 TIP3 6159 63.329 10.727 57.453 1.00 0.00 WT2 O ATOM 32777 H1 TIP3 6159 62.867 11.265 58.096 1.00 0.00 WT2 H ATOM 32778 H2 TIP3 6159 62.702 10.615 56.739 1.00 0.00 WT2 H ATOM 32779 OH2 TIP3 6160 33.131 6.508 39.039 1.00 0.00 WT2 O ATOM 32780 H1 TIP3 6160 33.848 5.875 39.001 1.00 0.00 WT2 H ATOM 32781 H2 TIP3 6160 33.565 7.361 39.031 1.00 0.00 WT2 H ATOM 32782 OH2 TIP3 6162 24.369 48.171 29.233 1.00 0.00 WT2 O ATOM 32783 H1 TIP3 6162 23.850 47.374 29.334 1.00 0.00 WT2 H ATOM 32784 H2 TIP3 6162 23.790 48.779 28.773 1.00 0.00 WT2 H ATOM 32785 OH2 TIP3 6176 87.121 54.665 42.211 1.00 0.00 WT2 O ATOM 32786 H1 TIP3 6176 88.028 54.817 42.478 1.00 0.00 WT2 H ATOM 32787 H2 TIP3 6176 86.609 54.812 43.006 1.00 0.00 WT2 H ATOM 32788 OH2 TIP3 6177 55.816 20.897 47.498 1.00 0.00 WT2 O ATOM 32789 H1 TIP3 6177 54.868 20.986 47.596 1.00 0.00 WT2 H ATOM 32790 H2 TIP3 6177 55.975 21.037 46.564 1.00 0.00 WT2 H ATOM 32791 OH2 TIP3 6178 67.578 34.999 40.268 1.00 0.00 WT2 O ATOM 32792 H1 TIP3 6178 67.261 35.380 39.449 1.00 0.00 WT2 H ATOM 32793 H2 TIP3 6178 67.363 35.651 40.935 1.00 0.00 WT2 H ATOM 32794 OH2 TIP3 6181 60.879 85.196 55.586 1.00 0.00 WT2 O ATOM 32795 H1 TIP3 6181 61.420 84.525 56.003 1.00 0.00 WT2 H ATOM 32796 H2 TIP3 6181 61.498 85.881 55.335 1.00 0.00 WT2 H ATOM 32797 OH2 TIP3 6182 36.741 88.665 24.421 1.00 0.00 WT2 O ATOM 32798 H1 TIP3 6182 36.446 88.327 25.266 1.00 0.00 WT2 H ATOM 32799 H2 TIP3 6182 36.780 87.894 23.855 1.00 0.00 WT2 H ATOM 32800 OH2 TIP3 6183 41.729 3.965 45.274 1.00 0.00 WT2 O ATOM 32801 H1 TIP3 6183 41.492 4.789 44.849 1.00 0.00 WT2 H ATOM 32802 H2 TIP3 6183 42.366 3.564 44.682 1.00 0.00 WT2 H ATOM 32803 OH2 TIP3 6190 88.050 58.204 -0.666 1.00 0.00 WT2 O ATOM 32804 H1 TIP3 6190 88.064 58.741 0.126 1.00 0.00 WT2 H ATOM 32805 H2 TIP3 6190 88.397 58.776 -1.350 1.00 0.00 WT2 H ATOM 32806 OH2 TIP3 6195 35.539 56.647 48.843 1.00 0.00 WT2 O ATOM 32807 H1 TIP3 6195 36.210 55.995 49.045 1.00 0.00 WT2 H ATOM 32808 H2 TIP3 6195 35.975 57.267 48.259 1.00 0.00 WT2 H ATOM 32809 OH2 TIP3 6197 74.148 79.728 -14.004 1.00 0.00 WT2 O ATOM 32810 H1 TIP3 6197 73.990 79.242 -14.813 1.00 0.00 WT2 H ATOM 32811 H2 TIP3 6197 74.733 79.165 -13.497 1.00 0.00 WT2 H ATOM 32812 OH2 TIP3 6198 53.644 2.347 49.671 1.00 0.00 WT2 O ATOM 32813 H1 TIP3 6198 53.184 3.186 49.649 1.00 0.00 WT2 H ATOM 32814 H2 TIP3 6198 52.967 1.708 49.892 1.00 0.00 WT2 H ATOM 32815 OH2 TIP3 6200 85.132 76.287 -15.361 1.00 0.00 WT2 O ATOM 32816 H1 TIP3 6200 84.930 76.881 -14.638 1.00 0.00 WT2 H ATOM 32817 H2 TIP3 6200 85.681 75.609 -14.968 1.00 0.00 WT2 H ATOM 32818 OH2 TIP3 6201 32.793 59.695 46.200 1.00 0.00 WT2 O ATOM 32819 H1 TIP3 6201 33.271 59.149 46.825 1.00 0.00 WT2 H ATOM 32820 H2 TIP3 6201 33.476 60.168 45.725 1.00 0.00 WT2 H ATOM 32821 OH2 TIP3 6215 23.955 79.630 33.602 1.00 0.00 WT2 O ATOM 32822 H1 TIP3 6215 24.688 80.193 33.354 1.00 0.00 WT2 H ATOM 32823 H2 TIP3 6215 23.714 79.179 32.793 1.00 0.00 WT2 H ATOM 32824 OH2 TIP3 6216 61.989 83.889 8.839 1.00 0.00 WT2 O ATOM 32825 H1 TIP3 6216 61.292 83.569 8.266 1.00 0.00 WT2 H ATOM 32826 H2 TIP3 6216 61.599 83.894 9.712 1.00 0.00 WT2 H ATOM 32827 OH2 TIP3 6218 76.338 31.044 59.656 1.00 0.00 WT2 O ATOM 32828 H1 TIP3 6218 75.914 31.450 58.900 1.00 0.00 WT2 H ATOM 32829 H2 TIP3 6218 77.271 31.218 59.531 1.00 0.00 WT2 H ATOM 32830 OH2 TIP3 6219 80.049 18.272 53.986 1.00 0.00 WT2 O ATOM 32831 H1 TIP3 6219 79.988 18.870 53.242 1.00 0.00 WT2 H ATOM 32832 H2 TIP3 6219 80.450 17.481 53.625 1.00 0.00 WT2 H ATOM 32833 OH2 TIP3 6220 63.910 72.300 -12.348 1.00 0.00 WT2 O ATOM 32834 H1 TIP3 6220 64.281 72.122 -13.212 1.00 0.00 WT2 H ATOM 32835 H2 TIP3 6220 64.351 71.681 -11.766 1.00 0.00 WT2 H ATOM 32836 OH2 TIP3 6221 31.160 13.105 4.073 1.00 0.00 WT2 O ATOM 32837 H1 TIP3 6221 30.963 12.719 4.926 1.00 0.00 WT2 H ATOM 32838 H2 TIP3 6221 30.392 13.638 3.867 1.00 0.00 WT2 H ATOM 32839 OH2 TIP3 6225 40.208 5.440 63.873 1.00 0.00 WT2 O ATOM 32840 H1 TIP3 6225 39.818 5.014 63.110 1.00 0.00 WT2 H ATOM 32841 H2 TIP3 6225 41.065 5.740 63.569 1.00 0.00 WT2 H ATOM 32842 OH2 TIP3 6238 50.048 75.475 1.171 1.00 0.00 WT2 O ATOM 32843 H1 TIP3 6238 50.877 75.937 1.043 1.00 0.00 WT2 H ATOM 32844 H2 TIP3 6238 49.957 75.403 2.121 1.00 0.00 WT2 H ATOM 32845 OH2 TIP3 6240 53.262 85.052 -11.190 1.00 0.00 WT2 O ATOM 32846 H1 TIP3 6240 53.106 84.364 -10.543 1.00 0.00 WT2 H ATOM 32847 H2 TIP3 6240 52.429 85.138 -11.654 1.00 0.00 WT2 H ATOM 32848 OH2 TIP3 6241 34.090 86.140 60.081 1.00 0.00 WT2 O ATOM 32849 H1 TIP3 6241 34.382 86.512 60.913 1.00 0.00 WT2 H ATOM 32850 H2 TIP3 6241 34.106 85.193 60.222 1.00 0.00 WT2 H ATOM 32851 OH2 TIP3 6242 87.672 60.634 1.292 1.00 0.00 WT2 O ATOM 32852 H1 TIP3 6242 88.085 61.484 1.139 1.00 0.00 WT2 H ATOM 32853 H2 TIP3 6242 88.369 60.090 1.659 1.00 0.00 WT2 H ATOM 32854 OH2 TIP3 6243 30.730 15.418 57.443 1.00 0.00 WT2 O ATOM 32855 H1 TIP3 6243 30.321 16.248 57.197 1.00 0.00 WT2 H ATOM 32856 H2 TIP3 6243 31.627 15.487 57.116 1.00 0.00 WT2 H ATOM 32857 OH2 TIP3 6245 25.607 81.804 -8.752 1.00 0.00 WT2 O ATOM 32858 H1 TIP3 6245 24.747 81.422 -8.923 1.00 0.00 WT2 H ATOM 32859 H2 TIP3 6245 26.163 81.470 -9.456 1.00 0.00 WT2 H ATOM 32860 OH2 TIP3 6246 77.738 76.055 35.565 1.00 0.00 WT2 O ATOM 32861 H1 TIP3 6246 77.736 75.115 35.747 1.00 0.00 WT2 H ATOM 32862 H2 TIP3 6246 78.150 76.132 34.705 1.00 0.00 WT2 H ATOM 32863 OH2 TIP3 6256 28.812 58.684 -3.662 1.00 0.00 WT2 O ATOM 32864 H1 TIP3 6256 29.730 58.650 -3.393 1.00 0.00 WT2 H ATOM 32865 H2 TIP3 6256 28.572 57.769 -3.811 1.00 0.00 WT2 H ATOM 32866 OH2 TIP3 6258 49.180 59.578 -16.508 1.00 0.00 WT2 O ATOM 32867 H1 TIP3 6258 50.099 59.779 -16.683 1.00 0.00 WT2 H ATOM 32868 H2 TIP3 6258 48.847 59.237 -17.338 1.00 0.00 WT2 H ATOM 32869 OH2 TIP3 6259 66.159 96.453 49.830 1.00 0.00 WT2 O ATOM 32870 H1 TIP3 6259 65.271 96.283 50.145 1.00 0.00 WT2 H ATOM 32871 H2 TIP3 6259 66.726 96.030 50.475 1.00 0.00 WT2 H ATOM 32872 OH2 TIP3 6261 90.886 20.730 64.314 1.00 0.00 WT2 O ATOM 32873 H1 TIP3 6261 90.771 21.678 64.377 1.00 0.00 WT2 H ATOM 32874 H2 TIP3 6261 90.083 20.417 63.897 1.00 0.00 WT2 H ATOM 32875 OH2 TIP3 6263 37.614 43.715 53.429 1.00 0.00 WT2 O ATOM 32876 H1 TIP3 6263 38.423 44.203 53.273 1.00 0.00 WT2 H ATOM 32877 H2 TIP3 6263 37.056 43.932 52.682 1.00 0.00 WT2 H ATOM 32878 OH2 TIP3 6264 65.107 57.534 24.398 1.00 0.00 WT2 O ATOM 32879 H1 TIP3 6264 64.710 56.895 23.806 1.00 0.00 WT2 H ATOM 32880 H2 TIP3 6264 64.671 58.360 24.188 1.00 0.00 WT2 H ATOM 32881 OH2 TIP3 6269 38.176 40.979 50.800 1.00 0.00 WT2 O ATOM 32882 H1 TIP3 6269 37.917 40.791 49.898 1.00 0.00 WT2 H ATOM 32883 H2 TIP3 6269 38.672 41.795 50.742 1.00 0.00 WT2 H ATOM 32884 OH2 TIP3 6281 36.447 90.443 52.463 1.00 0.00 WT2 O ATOM 32885 H1 TIP3 6281 37.393 90.336 52.363 1.00 0.00 WT2 H ATOM 32886 H2 TIP3 6281 36.252 91.276 52.034 1.00 0.00 WT2 H ATOM 32887 OH2 TIP3 6283 59.575 67.756 51.060 1.00 0.00 WT2 O ATOM 32888 H1 TIP3 6283 59.571 66.953 51.582 1.00 0.00 WT2 H ATOM 32889 H2 TIP3 6283 59.783 67.464 50.173 1.00 0.00 WT2 H ATOM 32890 OH2 TIP3 6284 63.525 70.465 43.035 1.00 0.00 WT2 O ATOM 32891 H1 TIP3 6284 63.891 71.265 43.412 1.00 0.00 WT2 H ATOM 32892 H2 TIP3 6284 63.813 69.768 43.625 1.00 0.00 WT2 H ATOM 32893 OH2 TIP3 6285 59.810 39.317 63.349 1.00 0.00 WT2 O ATOM 32894 H1 TIP3 6285 60.013 39.131 64.265 1.00 0.00 WT2 H ATOM 32895 H2 TIP3 6285 58.854 39.309 63.308 1.00 0.00 WT2 H ATOM 32896 OH2 TIP3 6286 66.763 81.400 6.977 1.00 0.00 WT2 O ATOM 32897 H1 TIP3 6286 66.147 82.119 7.113 1.00 0.00 WT2 H ATOM 32898 H2 TIP3 6286 66.241 80.608 7.110 1.00 0.00 WT2 H ATOM 32899 OH2 TIP3 6288 41.912 47.519 -10.083 1.00 0.00 WT2 O ATOM 32900 H1 TIP3 6288 42.274 48.110 -10.744 1.00 0.00 WT2 H ATOM 32901 H2 TIP3 6288 42.262 47.845 -9.254 1.00 0.00 WT2 H ATOM 32902 OH2 TIP3 6297 89.383 34.600 52.280 1.00 0.00 WT2 O ATOM 32903 H1 TIP3 6297 90.132 35.181 52.413 1.00 0.00 WT2 H ATOM 32904 H2 TIP3 6297 88.789 35.100 51.719 1.00 0.00 WT2 H ATOM 32905 OH2 TIP3 6300 38.626 15.992 35.271 1.00 0.00 WT2 O ATOM 32906 H1 TIP3 6300 38.001 16.578 34.844 1.00 0.00 WT2 H ATOM 32907 H2 TIP3 6300 39.362 16.556 35.508 1.00 0.00 WT2 H ATOM 32908 OH2 TIP3 6302 83.754 59.070 31.660 1.00 0.00 WT2 O ATOM 32909 H1 TIP3 6302 83.192 58.444 31.204 1.00 0.00 WT2 H ATOM 32910 H2 TIP3 6302 83.206 59.847 31.771 1.00 0.00 WT2 H ATOM 32911 OH2 TIP3 6303 63.077 7.625 17.526 1.00 0.00 WT2 O ATOM 32912 H1 TIP3 6303 62.341 7.039 17.354 1.00 0.00 WT2 H ATOM 32913 H2 TIP3 6303 63.636 7.137 18.131 1.00 0.00 WT2 H ATOM 32914 OH2 TIP3 6305 30.254 12.339 25.662 1.00 0.00 WT2 O ATOM 32915 H1 TIP3 6305 30.305 13.170 26.135 1.00 0.00 WT2 H ATOM 32916 H2 TIP3 6305 30.160 12.591 24.743 1.00 0.00 WT2 H ATOM 32917 OH2 TIP3 6309 79.998 21.091 -12.288 1.00 0.00 WT2 O ATOM 32918 H1 TIP3 6309 80.329 21.679 -12.967 1.00 0.00 WT2 H ATOM 32919 H2 TIP3 6309 80.163 20.212 -12.629 1.00 0.00 WT2 H ATOM 32920 OH2 TIP3 6311 58.491 23.472 18.518 1.00 0.00 WT2 O ATOM 32921 H1 TIP3 6311 58.206 24.271 18.074 1.00 0.00 WT2 H ATOM 32922 H2 TIP3 6311 57.679 23.053 18.802 1.00 0.00 WT2 H ATOM 32923 OH2 TIP3 6319 73.837 67.981 64.618 1.00 0.00 WT2 O ATOM 32924 H1 TIP3 6319 74.220 67.225 65.061 1.00 0.00 WT2 H ATOM 32925 H2 TIP3 6319 73.094 68.231 65.168 1.00 0.00 WT2 H ATOM 32926 OH2 TIP3 6321 25.535 66.750 65.222 1.00 0.00 WT2 O ATOM 32927 H1 TIP3 6321 26.158 67.307 64.755 1.00 0.00 WT2 H ATOM 32928 H2 TIP3 6321 25.603 65.899 64.788 1.00 0.00 WT2 H ATOM 32929 OH2 TIP3 6322 82.479 64.532 -4.919 1.00 0.00 WT2 O ATOM 32930 H1 TIP3 6322 83.121 65.160 -5.250 1.00 0.00 WT2 H ATOM 32931 H2 TIP3 6322 82.988 63.740 -4.742 1.00 0.00 WT2 H ATOM 32932 OH2 TIP3 6323 51.096 95.115 55.166 1.00 0.00 WT2 O ATOM 32933 H1 TIP3 6323 51.102 94.245 54.768 1.00 0.00 WT2 H ATOM 32934 H2 TIP3 6323 50.529 95.025 55.931 1.00 0.00 WT2 H ATOM 32935 OH2 TIP3 6324 44.977 22.542 -19.125 1.00 0.00 WT2 O ATOM 32936 H1 TIP3 6324 45.149 22.921 -19.987 1.00 0.00 WT2 H ATOM 32937 H2 TIP3 6324 44.379 23.161 -18.705 1.00 0.00 WT2 H ATOM 32938 OH2 TIP3 6325 28.612 17.610 37.044 1.00 0.00 WT2 O ATOM 32939 H1 TIP3 6325 29.298 17.881 37.653 1.00 0.00 WT2 H ATOM 32940 H2 TIP3 6325 28.847 18.029 36.216 1.00 0.00 WT2 H ATOM 32941 OH2 TIP3 6326 22.680 64.448 36.848 1.00 0.00 WT2 O ATOM 32942 H1 TIP3 6326 22.579 63.807 37.552 1.00 0.00 WT2 H ATOM 32943 H2 TIP3 6326 22.439 63.971 36.053 1.00 0.00 WT2 H ATOM 32944 OH2 TIP3 6328 78.397 89.286 14.011 1.00 0.00 WT2 O ATOM 32945 H1 TIP3 6328 79.253 89.476 14.395 1.00 0.00 WT2 H ATOM 32946 H2 TIP3 6328 78.593 88.762 13.234 1.00 0.00 WT2 H ATOM 32947 OH2 TIP3 6329 58.322 18.299 -6.018 1.00 0.00 WT2 O ATOM 32948 H1 TIP3 6329 58.897 18.193 -5.259 1.00 0.00 WT2 H ATOM 32949 H2 TIP3 6329 58.381 19.229 -6.235 1.00 0.00 WT2 H ATOM 32950 OH2 TIP3 6341 38.661 62.323 61.670 1.00 0.00 WT2 O ATOM 32951 H1 TIP3 6341 39.271 62.519 62.380 1.00 0.00 WT2 H ATOM 32952 H2 TIP3 6341 39.221 62.155 60.912 1.00 0.00 WT2 H ATOM 32953 OH2 TIP3 6345 41.379 11.249 32.299 1.00 0.00 WT2 O ATOM 32954 H1 TIP3 6345 40.823 10.494 32.490 1.00 0.00 WT2 H ATOM 32955 H2 TIP3 6345 41.146 11.498 31.405 1.00 0.00 WT2 H ATOM 32956 OH2 TIP3 6347 51.146 27.340 44.799 1.00 0.00 WT2 O ATOM 32957 H1 TIP3 6347 50.973 27.174 43.873 1.00 0.00 WT2 H ATOM 32958 H2 TIP3 6347 51.856 26.738 45.022 1.00 0.00 WT2 H ATOM 32959 OH2 TIP3 6348 25.486 17.389 -12.835 1.00 0.00 WT2 O ATOM 32960 H1 TIP3 6348 24.859 17.669 -12.169 1.00 0.00 WT2 H ATOM 32961 H2 TIP3 6348 26.211 18.010 -12.758 1.00 0.00 WT2 H ATOM 32962 OH2 TIP3 6353 71.885 27.669 54.858 1.00 0.00 WT2 O ATOM 32963 H1 TIP3 6353 71.489 28.053 54.076 1.00 0.00 WT2 H ATOM 32964 H2 TIP3 6353 72.654 27.200 54.532 1.00 0.00 WT2 H ATOM 32965 OH2 TIP3 6357 69.120 90.013 -1.487 1.00 0.00 WT2 O ATOM 32966 H1 TIP3 6357 68.910 89.160 -1.106 1.00 0.00 WT2 H ATOM 32967 H2 TIP3 6357 68.723 89.991 -2.358 1.00 0.00 WT2 H ATOM 32968 OH2 TIP3 6364 33.205 86.924 -17.995 1.00 0.00 WT2 O ATOM 32969 H1 TIP3 6364 33.614 86.547 -18.773 1.00 0.00 WT2 H ATOM 32970 H2 TIP3 6364 33.344 87.867 -18.084 1.00 0.00 WT2 H ATOM 32971 OH2 TIP3 6366 55.442 84.656 52.618 1.00 0.00 WT2 O ATOM 32972 H1 TIP3 6366 56.016 84.884 51.886 1.00 0.00 WT2 H ATOM 32973 H2 TIP3 6366 54.747 84.130 52.222 1.00 0.00 WT2 H ATOM 32974 OH2 TIP3 6368 23.827 35.277 13.381 1.00 0.00 WT2 O ATOM 32975 H1 TIP3 6368 24.112 35.608 12.529 1.00 0.00 WT2 H ATOM 32976 H2 TIP3 6368 22.874 35.218 13.308 1.00 0.00 WT2 H ATOM 32977 OH2 TIP3 6369 78.259 71.379 -11.434 1.00 0.00 WT2 O ATOM 32978 H1 TIP3 6369 78.328 72.327 -11.322 1.00 0.00 WT2 H ATOM 32979 H2 TIP3 6369 77.329 71.189 -11.308 1.00 0.00 WT2 H ATOM 32980 OH2 TIP3 6381 75.297 88.978 33.942 1.00 0.00 WT2 O ATOM 32981 H1 TIP3 6381 75.047 89.816 34.331 1.00 0.00 WT2 H ATOM 32982 H2 TIP3 6381 74.634 88.818 33.270 1.00 0.00 WT2 H ATOM 32983 OH2 TIP3 6385 58.638 17.618 -11.002 1.00 0.00 WT2 O ATOM 32984 H1 TIP3 6385 58.491 17.151 -10.179 1.00 0.00 WT2 H ATOM 32985 H2 TIP3 6385 58.868 18.508 -10.736 1.00 0.00 WT2 H ATOM 32986 OH2 TIP3 6388 45.317 40.900 49.747 1.00 0.00 WT2 O ATOM 32987 H1 TIP3 6388 44.504 41.325 50.022 1.00 0.00 WT2 H ATOM 32988 H2 TIP3 6388 45.962 41.607 49.726 1.00 0.00 WT2 H ATOM 32989 OH2 TIP3 6389 48.322 49.779 47.921 1.00 0.00 WT2 O ATOM 32990 H1 TIP3 6389 48.220 50.298 48.719 1.00 0.00 WT2 H ATOM 32991 H2 TIP3 6389 48.948 50.273 47.392 1.00 0.00 WT2 H ATOM 32992 OH2 TIP3 6390 20.714 73.285 56.036 1.00 0.00 WT2 O ATOM 32993 H1 TIP3 6390 21.092 72.500 55.641 1.00 0.00 WT2 H ATOM 32994 H2 TIP3 6390 20.879 73.186 56.974 1.00 0.00 WT2 H ATOM 32995 OH2 TIP3 6403 56.122 84.135 0.368 1.00 0.00 WT2 O ATOM 32996 H1 TIP3 6403 55.548 84.264 1.122 1.00 0.00 WT2 H ATOM 32997 H2 TIP3 6403 56.497 84.999 0.199 1.00 0.00 WT2 H ATOM 32998 OH2 TIP3 6404 24.612 86.112 -6.738 1.00 0.00 WT2 O ATOM 32999 H1 TIP3 6404 24.937 85.988 -7.629 1.00 0.00 WT2 H ATOM 33000 H2 TIP3 6404 24.842 87.016 -6.522 1.00 0.00 WT2 H ATOM 33001 OH2 TIP3 6407 30.085 14.919 47.251 1.00 0.00 WT2 O ATOM 33002 H1 TIP3 6407 30.373 15.495 47.959 1.00 0.00 WT2 H ATOM 33003 H2 TIP3 6407 29.463 15.447 46.750 1.00 0.00 WT2 H ATOM 33004 OH2 TIP3 6408 34.869 58.198 50.837 1.00 0.00 WT2 O ATOM 33005 H1 TIP3 6408 34.890 57.592 50.096 1.00 0.00 WT2 H ATOM 33006 H2 TIP3 6408 35.610 58.785 50.687 1.00 0.00 WT2 H ATOM 33007 OH2 TIP3 6409 52.004 86.759 63.596 1.00 0.00 WT2 O ATOM 33008 H1 TIP3 6409 51.241 86.555 63.056 1.00 0.00 WT2 H ATOM 33009 H2 TIP3 6409 52.106 85.997 64.166 1.00 0.00 WT2 H ATOM 33010 OH2 TIP3 6410 50.659 12.488 40.934 1.00 0.00 WT2 O ATOM 33011 H1 TIP3 6410 50.262 11.935 41.606 1.00 0.00 WT2 H ATOM 33012 H2 TIP3 6410 51.482 12.050 40.718 1.00 0.00 WT2 H ATOM 33013 OH2 TIP3 6412 21.189 37.114 66.433 1.00 0.00 WT2 O ATOM 33014 H1 TIP3 6412 20.786 37.735 65.826 1.00 0.00 WT2 H ATOM 33015 H2 TIP3 6412 22.128 37.286 66.363 1.00 0.00 WT2 H ATOM 33016 OH2 TIP3 6413 43.825 24.844 -15.186 1.00 0.00 WT2 O ATOM 33017 H1 TIP3 6413 43.492 23.998 -15.482 1.00 0.00 WT2 H ATOM 33018 H2 TIP3 6413 44.678 24.644 -14.800 1.00 0.00 WT2 H ATOM 33019 OH2 TIP3 6417 49.986 14.826 67.323 1.00 0.00 WT2 O ATOM 33020 H1 TIP3 6417 50.890 14.513 67.369 1.00 0.00 WT2 H ATOM 33021 H2 TIP3 6417 50.013 15.544 66.691 1.00 0.00 WT2 H ATOM 33022 OH2 TIP3 6425 44.270 3.073 30.389 1.00 0.00 WT2 O ATOM 33023 H1 TIP3 6425 44.484 2.227 29.995 1.00 0.00 WT2 H ATOM 33024 H2 TIP3 6425 44.300 3.692 29.660 1.00 0.00 WT2 H ATOM 33025 OH2 TIP3 6428 31.558 64.317 -0.632 1.00 0.00 WT2 O ATOM 33026 H1 TIP3 6428 32.338 64.285 -1.186 1.00 0.00 WT2 H ATOM 33027 H2 TIP3 6428 31.850 63.976 0.213 1.00 0.00 WT2 H ATOM 33028 OH2 TIP3 6429 79.793 32.647 41.125 1.00 0.00 WT2 O ATOM 33029 H1 TIP3 6429 79.402 33.288 40.530 1.00 0.00 WT2 H ATOM 33030 H2 TIP3 6429 80.716 32.894 41.171 1.00 0.00 WT2 H ATOM 33031 OH2 TIP3 6430 59.103 33.572 46.034 1.00 0.00 WT2 O ATOM 33032 H1 TIP3 6430 58.816 33.340 45.151 1.00 0.00 WT2 H ATOM 33033 H2 TIP3 6430 59.425 34.470 45.954 1.00 0.00 WT2 H ATOM 33034 OH2 TIP3 6431 84.575 87.937 7.277 1.00 0.00 WT2 O ATOM 33035 H1 TIP3 6431 85.293 88.129 6.673 1.00 0.00 WT2 H ATOM 33036 H2 TIP3 6431 84.700 88.551 8.001 1.00 0.00 WT2 H ATOM 33037 OH2 TIP3 6433 25.382 88.906 15.622 1.00 0.00 WT2 O ATOM 33038 H1 TIP3 6433 24.977 88.719 14.775 1.00 0.00 WT2 H ATOM 33039 H2 TIP3 6433 26.322 88.828 15.462 1.00 0.00 WT2 H ATOM 33040 OH2 TIP3 6436 27.721 33.228 16.435 1.00 0.00 WT2 O ATOM 33041 H1 TIP3 6436 28.435 32.922 15.877 1.00 0.00 WT2 H ATOM 33042 H2 TIP3 6436 27.051 33.532 15.823 1.00 0.00 WT2 H ATOM 33043 OH2 TIP3 6444 61.609 18.978 34.305 1.00 0.00 WT2 O ATOM 33044 H1 TIP3 6444 62.213 18.530 33.713 1.00 0.00 WT2 H ATOM 33045 H2 TIP3 6444 61.939 19.876 34.350 1.00 0.00 WT2 H ATOM 33046 OH2 TIP3 6446 22.221 60.098 33.200 1.00 0.00 WT2 O ATOM 33047 H1 TIP3 6446 23.061 60.221 32.759 1.00 0.00 WT2 H ATOM 33048 H2 TIP3 6446 21.586 60.018 32.489 1.00 0.00 WT2 H ATOM 33049 OH2 TIP3 6450 69.030 61.870 54.904 1.00 0.00 WT2 O ATOM 33050 H1 TIP3 6450 68.134 62.157 55.079 1.00 0.00 WT2 H ATOM 33051 H2 TIP3 6450 68.947 61.253 54.177 1.00 0.00 WT2 H ATOM 33052 OH2 TIP3 6452 68.862 90.683 39.406 1.00 0.00 WT2 O ATOM 33053 H1 TIP3 6452 68.475 90.776 38.536 1.00 0.00 WT2 H ATOM 33054 H2 TIP3 6452 68.837 89.742 39.581 1.00 0.00 WT2 H ATOM 33055 OH2 TIP3 6454 79.435 87.733 42.874 1.00 0.00 WT2 O ATOM 33056 H1 TIP3 6454 79.814 88.585 42.658 1.00 0.00 WT2 H ATOM 33057 H2 TIP3 6454 78.495 87.845 42.731 1.00 0.00 WT2 H ATOM 33058 OH2 TIP3 6455 24.438 9.914 38.812 1.00 0.00 WT2 O ATOM 33059 H1 TIP3 6455 23.786 10.611 38.873 1.00 0.00 WT2 H ATOM 33060 H2 TIP3 6455 24.118 9.346 38.111 1.00 0.00 WT2 H ATOM 33061 OH2 TIP3 6469 21.357 60.686 13.445 1.00 0.00 WT2 O ATOM 33062 H1 TIP3 6469 21.819 61.399 13.004 1.00 0.00 WT2 H ATOM 33063 H2 TIP3 6469 21.927 60.446 14.176 1.00 0.00 WT2 H ATOM 33064 OH2 TIP3 6470 67.359 7.971 -18.073 1.00 0.00 WT2 O ATOM 33065 H1 TIP3 6470 67.435 8.689 -18.702 1.00 0.00 WT2 H ATOM 33066 H2 TIP3 6470 68.261 7.780 -17.817 1.00 0.00 WT2 H ATOM 33067 OH2 TIP3 6471 40.757 55.194 42.417 1.00 0.00 WT2 O ATOM 33068 H1 TIP3 6471 41.170 55.902 41.922 1.00 0.00 WT2 H ATOM 33069 H2 TIP3 6471 41.373 54.464 42.352 1.00 0.00 WT2 H ATOM 33070 OH2 TIP3 6472 48.880 40.977 47.533 1.00 0.00 WT2 O ATOM 33071 H1 TIP3 6472 49.705 41.447 47.414 1.00 0.00 WT2 H ATOM 33072 H2 TIP3 6472 49.142 40.097 47.804 1.00 0.00 WT2 H ATOM 33073 OH2 TIP3 6473 67.296 22.707 41.342 1.00 0.00 WT2 O ATOM 33074 H1 TIP3 6473 67.908 22.837 42.067 1.00 0.00 WT2 H ATOM 33075 H2 TIP3 6473 67.801 22.226 40.686 1.00 0.00 WT2 H ATOM 33076 OH2 TIP3 6474 40.470 83.742 66.018 1.00 0.00 WT2 O ATOM 33077 H1 TIP3 6474 40.811 83.320 65.230 1.00 0.00 WT2 H ATOM 33078 H2 TIP3 6474 40.556 83.078 66.702 1.00 0.00 WT2 H ATOM 33079 OH2 TIP3 6475 59.687 57.139 -2.924 1.00 0.00 WT2 O ATOM 33080 H1 TIP3 6475 59.690 58.082 -2.761 1.00 0.00 WT2 H ATOM 33081 H2 TIP3 6475 59.321 56.759 -2.125 1.00 0.00 WT2 H ATOM 33082 OH2 TIP3 6476 71.067 59.173 4.684 1.00 0.00 WT2 O ATOM 33083 H1 TIP3 6476 71.935 58.778 4.761 1.00 0.00 WT2 H ATOM 33084 H2 TIP3 6476 70.633 58.963 5.510 1.00 0.00 WT2 H ATOM 33085 OH2 TIP3 6490 82.258 75.618 61.333 1.00 0.00 WT2 O ATOM 33086 H1 TIP3 6490 82.910 76.316 61.270 1.00 0.00 WT2 H ATOM 33087 H2 TIP3 6490 82.771 74.823 61.479 1.00 0.00 WT2 H ATOM 33088 OH2 TIP3 6491 66.848 33.848 45.854 1.00 0.00 WT2 O ATOM 33089 H1 TIP3 6491 66.112 33.973 45.254 1.00 0.00 WT2 H ATOM 33090 H2 TIP3 6491 67.491 34.503 45.584 1.00 0.00 WT2 H ATOM 33091 OH2 TIP3 6492 82.712 41.221 21.732 1.00 0.00 WT2 O ATOM 33092 H1 TIP3 6492 82.352 41.385 20.860 1.00 0.00 WT2 H ATOM 33093 H2 TIP3 6492 81.946 41.174 22.304 1.00 0.00 WT2 H ATOM 33094 OH2 TIP3 6493 29.280 58.369 32.624 1.00 0.00 WT2 O ATOM 33095 H1 TIP3 6493 29.185 57.976 31.756 1.00 0.00 WT2 H ATOM 33096 H2 TIP3 6493 29.704 59.212 32.461 1.00 0.00 WT2 H ATOM 33097 OH2 TIP3 6497 56.629 36.737 7.165 1.00 0.00 WT2 O ATOM 33098 H1 TIP3 6497 55.766 36.839 7.567 1.00 0.00 WT2 H ATOM 33099 H2 TIP3 6497 56.877 37.624 6.903 1.00 0.00 WT2 H ATOM 33100 OH2 TIP3 6499 60.320 49.928 -5.960 1.00 0.00 WT2 O ATOM 33101 H1 TIP3 6499 60.501 50.075 -5.032 1.00 0.00 WT2 H ATOM 33102 H2 TIP3 6499 60.593 50.739 -6.389 1.00 0.00 WT2 H ATOM 33103 OH2 TIP3 6509 37.035 46.753 63.247 1.00 0.00 WT2 O ATOM 33104 H1 TIP3 6509 37.569 46.596 64.025 1.00 0.00 WT2 H ATOM 33105 H2 TIP3 6509 36.147 46.869 63.584 1.00 0.00 WT2 H ATOM 33106 OH2 TIP3 6512 28.155 58.635 -10.282 1.00 0.00 WT2 O ATOM 33107 H1 TIP3 6512 28.734 58.293 -9.601 1.00 0.00 WT2 H ATOM 33108 H2 TIP3 6512 27.408 58.995 -9.805 1.00 0.00 WT2 H ATOM 33109 OH2 TIP3 6513 69.240 52.629 53.706 1.00 0.00 WT2 O ATOM 33110 H1 TIP3 6513 69.130 53.568 53.855 1.00 0.00 WT2 H ATOM 33111 H2 TIP3 6513 69.157 52.525 52.758 1.00 0.00 WT2 H ATOM 33112 OH2 TIP3 6514 45.765 58.880 44.628 1.00 0.00 WT2 O ATOM 33113 H1 TIP3 6514 45.391 58.851 43.747 1.00 0.00 WT2 H ATOM 33114 H2 TIP3 6514 46.010 59.797 44.754 1.00 0.00 WT2 H ATOM 33115 OH2 TIP3 6515 43.410 35.196 65.114 1.00 0.00 WT2 O ATOM 33116 H1 TIP3 6515 44.241 34.778 64.890 1.00 0.00 WT2 H ATOM 33117 H2 TIP3 6515 42.795 34.881 64.451 1.00 0.00 WT2 H ATOM 33118 OH2 TIP3 6516 57.940 56.704 57.639 1.00 0.00 WT2 O ATOM 33119 H1 TIP3 6516 57.929 56.197 56.827 1.00 0.00 WT2 H ATOM 33120 H2 TIP3 6516 58.161 56.067 58.318 1.00 0.00 WT2 H ATOM 33121 OH2 TIP3 6519 25.941 65.709 31.730 1.00 0.00 WT2 O ATOM 33122 H1 TIP3 6519 26.483 66.380 31.316 1.00 0.00 WT2 H ATOM 33123 H2 TIP3 6519 25.147 65.677 31.196 1.00 0.00 WT2 H ATOM 33124 OH2 TIP3 6528 33.608 43.137 10.256 1.00 0.00 WT2 O ATOM 33125 H1 TIP3 6528 32.796 42.818 10.650 1.00 0.00 WT2 H ATOM 33126 H2 TIP3 6528 34.280 42.959 10.915 1.00 0.00 WT2 H ATOM 33127 OH2 TIP3 6534 32.896 79.285 -17.994 1.00 0.00 WT2 O ATOM 33128 H1 TIP3 6534 32.417 79.539 -17.205 1.00 0.00 WT2 H ATOM 33129 H2 TIP3 6534 32.530 78.434 -18.234 1.00 0.00 WT2 H ATOM 33130 OH2 TIP3 6535 51.297 27.628 -6.536 1.00 0.00 WT2 O ATOM 33131 H1 TIP3 6535 51.282 28.238 -5.798 1.00 0.00 WT2 H ATOM 33132 H2 TIP3 6535 52.225 27.541 -6.756 1.00 0.00 WT2 H ATOM 33133 OH2 TIP3 6536 64.778 16.208 47.907 1.00 0.00 WT2 O ATOM 33134 H1 TIP3 6536 64.671 16.976 48.468 1.00 0.00 WT2 H ATOM 33135 H2 TIP3 6536 64.955 16.567 47.038 1.00 0.00 WT2 H ATOM 33136 OH2 TIP3 6537 46.322 0.465 60.600 1.00 0.00 WT2 O ATOM 33137 H1 TIP3 6537 47.161 0.907 60.473 1.00 0.00 WT2 H ATOM 33138 H2 TIP3 6537 45.859 1.008 61.238 1.00 0.00 WT2 H ATOM 33139 OH2 TIP3 6538 76.117 62.107 15.335 1.00 0.00 WT2 O ATOM 33140 H1 TIP3 6538 75.388 61.507 15.176 1.00 0.00 WT2 H ATOM 33141 H2 TIP3 6538 76.016 62.789 14.671 1.00 0.00 WT2 H ATOM 33142 OH2 TIP3 6549 47.236 47.900 62.346 1.00 0.00 WT2 O ATOM 33143 H1 TIP3 6549 47.486 48.293 61.509 1.00 0.00 WT2 H ATOM 33144 H2 TIP3 6549 46.292 47.761 62.273 1.00 0.00 WT2 H ATOM 33145 OH2 TIP3 6551 21.420 29.633 -7.933 1.00 0.00 WT2 O ATOM 33146 H1 TIP3 6551 20.712 29.674 -8.576 1.00 0.00 WT2 H ATOM 33147 H2 TIP3 6551 21.756 30.528 -7.888 1.00 0.00 WT2 H ATOM 33148 OH2 TIP3 6552 21.970 79.516 -7.340 1.00 0.00 WT2 O ATOM 33149 H1 TIP3 6552 21.998 80.403 -7.701 1.00 0.00 WT2 H ATOM 33150 H2 TIP3 6552 22.077 79.638 -6.397 1.00 0.00 WT2 H ATOM 33151 OH2 TIP3 6555 82.843 95.220 46.197 1.00 0.00 WT2 O ATOM 33152 H1 TIP3 6555 83.451 94.580 46.566 1.00 0.00 WT2 H ATOM 33153 H2 TIP3 6555 83.382 95.991 46.024 1.00 0.00 WT2 H ATOM 33154 OH2 TIP3 6556 55.019 66.784 60.569 1.00 0.00 WT2 O ATOM 33155 H1 TIP3 6556 54.816 66.016 60.036 1.00 0.00 WT2 H ATOM 33156 H2 TIP3 6556 54.985 67.518 59.955 1.00 0.00 WT2 H ATOM 33157 OH2 TIP3 6559 25.496 46.363 21.162 1.00 0.00 WT2 O ATOM 33158 H1 TIP3 6559 26.437 46.230 21.278 1.00 0.00 WT2 H ATOM 33159 H2 TIP3 6559 25.428 47.182 20.671 1.00 0.00 WT2 H ATOM 33160 OH2 TIP3 6560 52.618 18.936 33.173 1.00 0.00 WT2 O ATOM 33161 H1 TIP3 6560 52.384 18.098 33.572 1.00 0.00 WT2 H ATOM 33162 H2 TIP3 6560 53.254 18.709 32.495 1.00 0.00 WT2 H ATOM 33163 OH2 TIP3 6575 75.218 90.253 -12.214 1.00 0.00 WT2 O ATOM 33164 H1 TIP3 6575 76.073 89.850 -12.063 1.00 0.00 WT2 H ATOM 33165 H2 TIP3 6575 74.848 89.763 -12.949 1.00 0.00 WT2 H ATOM 33166 OH2 TIP3 6576 22.378 91.639 -4.565 1.00 0.00 WT2 O ATOM 33167 H1 TIP3 6576 21.911 90.965 -4.071 1.00 0.00 WT2 H ATOM 33168 H2 TIP3 6576 22.849 92.142 -3.901 1.00 0.00 WT2 H ATOM 33169 OH2 TIP3 6577 89.786 43.069 26.683 1.00 0.00 WT2 O ATOM 33170 H1 TIP3 6577 89.164 43.341 26.008 1.00 0.00 WT2 H ATOM 33171 H2 TIP3 6577 90.538 43.649 26.564 1.00 0.00 WT2 H ATOM 33172 OH2 TIP3 6579 22.031 0.530 40.123 1.00 0.00 WT2 O ATOM 33173 H1 TIP3 6579 22.044 0.062 40.957 1.00 0.00 WT2 H ATOM 33174 H2 TIP3 6579 21.894 1.446 40.364 1.00 0.00 WT2 H ATOM 33175 OH2 TIP3 6580 34.489 77.681 47.204 1.00 0.00 WT2 O ATOM 33176 H1 TIP3 6580 34.589 76.894 47.740 1.00 0.00 WT2 H ATOM 33177 H2 TIP3 6580 35.335 78.124 47.268 1.00 0.00 WT2 H ATOM 33178 OH2 TIP3 6595 84.858 31.192 26.955 1.00 0.00 WT2 O ATOM 33179 H1 TIP3 6595 85.214 31.345 26.080 1.00 0.00 WT2 H ATOM 33180 H2 TIP3 6595 83.909 31.185 26.830 1.00 0.00 WT2 H ATOM 33181 OH2 TIP3 6597 62.435 85.402 51.802 1.00 0.00 WT2 O ATOM 33182 H1 TIP3 6597 61.647 85.333 52.341 1.00 0.00 WT2 H ATOM 33183 H2 TIP3 6597 62.902 86.159 52.155 1.00 0.00 WT2 H ATOM 33184 OH2 TIP3 6598 72.326 61.687 36.208 1.00 0.00 WT2 O ATOM 33185 H1 TIP3 6598 71.825 62.154 35.539 1.00 0.00 WT2 H ATOM 33186 H2 TIP3 6598 72.851 62.366 36.632 1.00 0.00 WT2 H ATOM 33187 OH2 TIP3 6599 87.696 90.504 65.032 1.00 0.00 WT2 O ATOM 33188 H1 TIP3 6599 86.792 90.702 65.275 1.00 0.00 WT2 H ATOM 33189 H2 TIP3 6599 88.097 90.181 65.839 1.00 0.00 WT2 H ATOM 33190 OH2 TIP3 6600 75.122 73.774 7.566 1.00 0.00 WT2 O ATOM 33191 H1 TIP3 6600 75.394 72.888 7.804 1.00 0.00 WT2 H ATOM 33192 H2 TIP3 6600 74.867 73.708 6.645 1.00 0.00 WT2 H ATOM 33193 OH2 TIP3 6602 71.813 18.631 -8.999 1.00 0.00 WT2 O ATOM 33194 H1 TIP3 6602 72.294 17.827 -9.195 1.00 0.00 WT2 H ATOM 33195 H2 TIP3 6602 70.916 18.448 -9.280 1.00 0.00 WT2 H ATOM 33196 OH2 TIP3 6603 63.630 33.349 54.659 1.00 0.00 WT2 O ATOM 33197 H1 TIP3 6603 63.699 32.445 54.965 1.00 0.00 WT2 H ATOM 33198 H2 TIP3 6603 62.721 33.593 54.833 1.00 0.00 WT2 H ATOM 33199 OH2 TIP3 6615 72.648 34.782 9.402 1.00 0.00 WT2 O ATOM 33200 H1 TIP3 6615 71.755 35.023 9.647 1.00 0.00 WT2 H ATOM 33201 H2 TIP3 6615 73.120 34.733 10.234 1.00 0.00 WT2 H ATOM 33202 OH2 TIP3 6616 64.494 93.669 -11.606 1.00 0.00 WT2 O ATOM 33203 H1 TIP3 6616 63.696 94.051 -11.971 1.00 0.00 WT2 H ATOM 33204 H2 TIP3 6616 65.187 93.944 -12.207 1.00 0.00 WT2 H ATOM 33205 OH2 TIP3 6618 42.406 89.625 33.197 1.00 0.00 WT2 O ATOM 33206 H1 TIP3 6618 43.066 89.056 33.592 1.00 0.00 WT2 H ATOM 33207 H2 TIP3 6618 41.630 89.509 33.746 1.00 0.00 WT2 H ATOM 33208 OH2 TIP3 6620 71.333 4.052 -12.181 1.00 0.00 WT2 O ATOM 33209 H1 TIP3 6620 71.748 4.915 -12.162 1.00 0.00 WT2 H ATOM 33210 H2 TIP3 6620 71.561 3.658 -11.339 1.00 0.00 WT2 H ATOM 33211 OH2 TIP3 6621 68.437 49.020 54.344 1.00 0.00 WT2 O ATOM 33212 H1 TIP3 6621 69.289 49.454 54.298 1.00 0.00 WT2 H ATOM 33213 H2 TIP3 6621 67.874 49.643 54.803 1.00 0.00 WT2 H ATOM 33214 OH2 TIP3 6623 40.026 26.504 27.288 1.00 0.00 WT2 O ATOM 33215 H1 TIP3 6623 39.691 27.113 27.946 1.00 0.00 WT2 H ATOM 33216 H2 TIP3 6623 39.745 26.876 26.452 1.00 0.00 WT2 H ATOM 33217 OH2 TIP3 6633 88.872 28.453 66.022 1.00 0.00 WT2 O ATOM 33218 H1 TIP3 6633 88.561 27.561 66.176 1.00 0.00 WT2 H ATOM 33219 H2 TIP3 6633 88.078 28.988 66.023 1.00 0.00 WT2 H ATOM 33220 OH2 TIP3 6637 90.055 88.667 27.575 1.00 0.00 WT2 O ATOM 33221 H1 TIP3 6637 89.614 89.349 27.067 1.00 0.00 WT2 H ATOM 33222 H2 TIP3 6637 90.900 88.552 27.140 1.00 0.00 WT2 H ATOM 33223 OH2 TIP3 6638 52.910 26.441 54.965 1.00 0.00 WT2 O ATOM 33224 H1 TIP3 6638 52.239 27.117 54.873 1.00 0.00 WT2 H ATOM 33225 H2 TIP3 6638 52.451 25.701 55.363 1.00 0.00 WT2 H ATOM 33226 OH2 TIP3 6639 77.714 1.157 46.135 1.00 0.00 WT2 O ATOM 33227 H1 TIP3 6639 77.491 0.227 46.103 1.00 0.00 WT2 H ATOM 33228 H2 TIP3 6639 78.539 1.190 46.619 1.00 0.00 WT2 H ATOM 33229 OH2 TIP3 6640 23.390 9.701 -5.658 1.00 0.00 WT2 O ATOM 33230 H1 TIP3 6640 22.773 9.574 -6.379 1.00 0.00 WT2 H ATOM 33231 H2 TIP3 6640 23.163 10.557 -5.296 1.00 0.00 WT2 H ATOM 33232 OH2 TIP3 6641 36.666 24.843 27.464 1.00 0.00 WT2 O ATOM 33233 H1 TIP3 6641 37.269 24.529 26.790 1.00 0.00 WT2 H ATOM 33234 H2 TIP3 6641 35.936 25.222 26.976 1.00 0.00 WT2 H ATOM 33235 OH2 TIP3 6642 44.623 94.985 21.103 1.00 0.00 WT2 O ATOM 33236 H1 TIP3 6642 45.518 94.816 20.810 1.00 0.00 WT2 H ATOM 33237 H2 TIP3 6642 44.334 94.155 21.482 1.00 0.00 WT2 H ATOM 33238 OH2 TIP3 6645 64.387 33.705 16.210 1.00 0.00 WT2 O ATOM 33239 H1 TIP3 6645 64.476 34.544 16.662 1.00 0.00 WT2 H ATOM 33240 H2 TIP3 6645 63.763 33.211 16.741 1.00 0.00 WT2 H ATOM 33241 OH2 TIP3 6656 71.517 55.043 62.674 1.00 0.00 WT2 O ATOM 33242 H1 TIP3 6656 71.615 54.415 61.959 1.00 0.00 WT2 H ATOM 33243 H2 TIP3 6656 71.558 54.510 63.468 1.00 0.00 WT2 H ATOM 33244 OH2 TIP3 6659 78.691 39.467 54.187 1.00 0.00 WT2 O ATOM 33245 H1 TIP3 6659 78.108 40.219 54.079 1.00 0.00 WT2 H ATOM 33246 H2 TIP3 6659 79.159 39.405 53.355 1.00 0.00 WT2 H ATOM 33247 OH2 TIP3 6660 45.446 23.252 52.473 1.00 0.00 WT2 O ATOM 33248 H1 TIP3 6660 46.098 23.390 51.785 1.00 0.00 WT2 H ATOM 33249 H2 TIP3 6660 44.688 22.890 52.015 1.00 0.00 WT2 H ATOM 33250 OH2 TIP3 6661 61.055 37.530 43.008 1.00 0.00 WT2 O ATOM 33251 H1 TIP3 6661 60.150 37.285 42.815 1.00 0.00 WT2 H ATOM 33252 H2 TIP3 6661 61.013 37.945 43.870 1.00 0.00 WT2 H ATOM 33253 OH2 TIP3 6662 38.166 4.424 -7.089 1.00 0.00 WT2 O ATOM 33254 H1 TIP3 6662 37.926 5.150 -6.513 1.00 0.00 WT2 H ATOM 33255 H2 TIP3 6662 37.335 3.996 -7.295 1.00 0.00 WT2 H ATOM 33256 OH2 TIP3 6664 43.426 17.291 28.026 1.00 0.00 WT2 O ATOM 33257 H1 TIP3 6664 42.876 16.697 28.536 1.00 0.00 WT2 H ATOM 33258 H2 TIP3 6664 43.532 16.854 27.181 1.00 0.00 WT2 H ATOM 33259 OH2 TIP3 6671 24.241 77.519 -4.346 1.00 0.00 WT2 O ATOM 33260 H1 TIP3 6671 24.955 76.980 -4.686 1.00 0.00 WT2 H ATOM 33261 H2 TIP3 6671 23.465 76.964 -4.421 1.00 0.00 WT2 H ATOM 33262 OH2 TIP3 6679 28.648 28.066 23.758 1.00 0.00 WT2 O ATOM 33263 H1 TIP3 6679 28.413 27.258 23.303 1.00 0.00 WT2 H ATOM 33264 H2 TIP3 6679 28.597 28.744 23.084 1.00 0.00 WT2 H ATOM 33265 OH2 TIP3 6681 65.166 83.023 -12.638 1.00 0.00 WT2 O ATOM 33266 H1 TIP3 6681 65.589 82.971 -13.495 1.00 0.00 WT2 H ATOM 33267 H2 TIP3 6681 65.708 82.477 -12.068 1.00 0.00 WT2 H ATOM 33268 OH2 TIP3 6684 20.921 0.757 13.959 1.00 0.00 WT2 O ATOM 33269 H1 TIP3 6684 21.874 0.775 14.044 1.00 0.00 WT2 H ATOM 33270 H2 TIP3 6684 20.614 0.372 14.780 1.00 0.00 WT2 H ATOM 33271 OH2 TIP3 6686 56.039 11.811 64.168 1.00 0.00 WT2 O ATOM 33272 H1 TIP3 6686 55.834 10.945 64.521 1.00 0.00 WT2 H ATOM 33273 H2 TIP3 6686 56.903 11.710 63.771 1.00 0.00 WT2 H ATOM 33274 OH2 TIP3 6698 68.688 58.871 64.090 1.00 0.00 WT2 O ATOM 33275 H1 TIP3 6698 69.089 58.081 63.727 1.00 0.00 WT2 H ATOM 33276 H2 TIP3 6698 67.805 58.884 63.720 1.00 0.00 WT2 H ATOM 33277 OH2 TIP3 6700 46.910 57.206 57.141 1.00 0.00 WT2 O ATOM 33278 H1 TIP3 6700 47.351 58.010 56.866 1.00 0.00 WT2 H ATOM 33279 H2 TIP3 6700 46.007 57.314 56.844 1.00 0.00 WT2 H ATOM 33280 OH2 TIP3 6701 70.289 23.044 37.863 1.00 0.00 WT2 O ATOM 33281 H1 TIP3 6701 69.502 22.787 37.383 1.00 0.00 WT2 H ATOM 33282 H2 TIP3 6701 71.012 22.812 37.280 1.00 0.00 WT2 H ATOM 33283 OH2 TIP3 6703 27.265 56.103 -3.942 1.00 0.00 WT2 O ATOM 33284 H1 TIP3 6703 27.843 55.426 -3.591 1.00 0.00 WT2 H ATOM 33285 H2 TIP3 6703 26.669 55.632 -4.524 1.00 0.00 WT2 H ATOM 33286 OH2 TIP3 6704 23.694 11.261 0.691 1.00 0.00 WT2 O ATOM 33287 H1 TIP3 6704 24.483 11.543 1.153 1.00 0.00 WT2 H ATOM 33288 H2 TIP3 6704 23.072 11.977 0.821 1.00 0.00 WT2 H ATOM 33289 OH2 TIP3 6705 88.159 79.512 21.484 1.00 0.00 WT2 O ATOM 33290 H1 TIP3 6705 87.366 79.551 22.019 1.00 0.00 WT2 H ATOM 33291 H2 TIP3 6705 88.082 78.688 21.002 1.00 0.00 WT2 H ATOM 33292 OH2 TIP3 6706 30.285 38.061 38.902 1.00 0.00 WT2 O ATOM 33293 H1 TIP3 6706 29.807 38.817 38.560 1.00 0.00 WT2 H ATOM 33294 H2 TIP3 6706 29.899 37.309 38.451 1.00 0.00 WT2 H ATOM 33295 OH2 TIP3 6721 20.509 14.429 59.009 1.00 0.00 WT2 O ATOM 33296 H1 TIP3 6721 20.056 15.258 59.159 1.00 0.00 WT2 H ATOM 33297 H2 TIP3 6721 21.422 14.611 59.231 1.00 0.00 WT2 H ATOM 33298 OH2 TIP3 6722 86.670 74.481 22.491 1.00 0.00 WT2 O ATOM 33299 H1 TIP3 6722 85.841 74.579 22.959 1.00 0.00 WT2 H ATOM 33300 H2 TIP3 6722 86.622 73.611 22.095 1.00 0.00 WT2 H ATOM 33301 OH2 TIP3 6726 60.762 21.484 -8.586 1.00 0.00 WT2 O ATOM 33302 H1 TIP3 6726 60.844 20.537 -8.705 1.00 0.00 WT2 H ATOM 33303 H2 TIP3 6726 59.873 21.686 -8.879 1.00 0.00 WT2 H ATOM 33304 OH2 TIP3 6727 29.830 72.010 0.304 1.00 0.00 WT2 O ATOM 33305 H1 TIP3 6727 30.400 72.723 0.593 1.00 0.00 WT2 H ATOM 33306 H2 TIP3 6727 29.490 71.630 1.114 1.00 0.00 WT2 H ATOM 33307 OH2 TIP3 6730 33.166 14.894 3.606 1.00 0.00 WT2 O ATOM 33308 H1 TIP3 6730 32.507 14.252 3.871 1.00 0.00 WT2 H ATOM 33309 H2 TIP3 6730 33.386 15.359 4.414 1.00 0.00 WT2 H ATOM 33310 OH2 TIP3 6731 35.437 12.747 20.329 1.00 0.00 WT2 O ATOM 33311 H1 TIP3 6731 34.850 13.494 20.208 1.00 0.00 WT2 H ATOM 33312 H2 TIP3 6731 35.701 12.796 21.248 1.00 0.00 WT2 H ATOM 33313 OH2 TIP3 6740 67.301 38.791 6.147 1.00 0.00 WT2 O ATOM 33314 H1 TIP3 6740 66.583 38.508 6.712 1.00 0.00 WT2 H ATOM 33315 H2 TIP3 6740 67.723 39.500 6.632 1.00 0.00 WT2 H ATOM 33316 OH2 TIP3 6742 52.995 22.516 54.435 1.00 0.00 WT2 O ATOM 33317 H1 TIP3 6742 52.263 21.921 54.598 1.00 0.00 WT2 H ATOM 33318 H2 TIP3 6742 52.729 23.019 53.664 1.00 0.00 WT2 H ATOM 33319 OH2 TIP3 6743 86.074 39.007 27.279 1.00 0.00 WT2 O ATOM 33320 H1 TIP3 6743 85.522 39.082 28.057 1.00 0.00 WT2 H ATOM 33321 H2 TIP3 6743 85.827 39.756 26.736 1.00 0.00 WT2 H ATOM 33322 OH2 TIP3 6745 84.703 42.192 44.675 1.00 0.00 WT2 O ATOM 33323 H1 TIP3 6745 84.133 41.554 45.104 1.00 0.00 WT2 H ATOM 33324 H2 TIP3 6745 84.148 42.603 44.012 1.00 0.00 WT2 H ATOM 33325 OH2 TIP3 6748 75.979 57.817 59.178 1.00 0.00 WT2 O ATOM 33326 H1 TIP3 6748 75.913 57.678 58.233 1.00 0.00 WT2 H ATOM 33327 H2 TIP3 6748 75.105 58.105 59.441 1.00 0.00 WT2 H ATOM 33328 OH2 TIP3 6750 73.280 37.850 57.618 1.00 0.00 WT2 O ATOM 33329 H1 TIP3 6750 73.637 37.026 57.288 1.00 0.00 WT2 H ATOM 33330 H2 TIP3 6750 72.716 38.167 56.912 1.00 0.00 WT2 H ATOM 33331 OH2 TIP3 6762 54.366 88.992 46.553 1.00 0.00 WT2 O ATOM 33332 H1 TIP3 6762 53.784 88.932 47.310 1.00 0.00 WT2 H ATOM 33333 H2 TIP3 6762 53.929 89.605 45.962 1.00 0.00 WT2 H ATOM 33334 OH2 TIP3 6763 32.286 16.664 54.799 1.00 0.00 WT2 O ATOM 33335 H1 TIP3 6763 33.075 16.265 54.434 1.00 0.00 WT2 H ATOM 33336 H2 TIP3 6763 32.458 16.722 55.739 1.00 0.00 WT2 H ATOM 33337 OH2 TIP3 6765 66.209 85.152 13.886 1.00 0.00 WT2 O ATOM 33338 H1 TIP3 6765 66.449 84.468 14.511 1.00 0.00 WT2 H ATOM 33339 H2 TIP3 6765 66.497 84.814 13.038 1.00 0.00 WT2 H ATOM 33340 OH2 TIP3 6767 75.006 22.929 52.753 1.00 0.00 WT2 O ATOM 33341 H1 TIP3 6767 74.447 23.175 52.016 1.00 0.00 WT2 H ATOM 33342 H2 TIP3 6767 74.611 22.127 53.097 1.00 0.00 WT2 H ATOM 33343 OH2 TIP3 6768 27.663 54.845 66.765 1.00 0.00 WT2 O ATOM 33344 H1 TIP3 6768 26.934 55.279 67.208 1.00 0.00 WT2 H ATOM 33345 H2 TIP3 6768 27.868 54.093 67.321 1.00 0.00 WT2 H ATOM 33346 OH2 TIP3 6769 22.673 80.431 -4.825 1.00 0.00 WT2 O ATOM 33347 H1 TIP3 6769 23.470 80.242 -4.329 1.00 0.00 WT2 H ATOM 33348 H2 TIP3 6769 22.324 81.228 -4.424 1.00 0.00 WT2 H ATOM 33349 OH2 TIP3 6770 89.131 30.032 54.717 1.00 0.00 WT2 O ATOM 33350 H1 TIP3 6770 89.545 30.849 54.438 1.00 0.00 WT2 H ATOM 33351 H2 TIP3 6770 89.830 29.546 55.154 1.00 0.00 WT2 H ATOM 33352 OH2 TIP3 6771 39.625 50.953 42.309 1.00 0.00 WT2 O ATOM 33353 H1 TIP3 6771 40.539 51.228 42.240 1.00 0.00 WT2 H ATOM 33354 H2 TIP3 6771 39.226 51.234 41.486 1.00 0.00 WT2 H ATOM 33355 OH2 TIP3 6786 27.551 4.773 23.981 1.00 0.00 WT2 O ATOM 33356 H1 TIP3 6786 26.871 5.244 23.501 1.00 0.00 WT2 H ATOM 33357 H2 TIP3 6786 27.591 3.915 23.560 1.00 0.00 WT2 H ATOM 33358 OH2 TIP3 6788 23.842 86.249 63.712 1.00 0.00 WT2 O ATOM 33359 H1 TIP3 6788 24.044 86.232 64.648 1.00 0.00 WT2 H ATOM 33360 H2 TIP3 6788 24.557 86.750 63.321 1.00 0.00 WT2 H ATOM 33361 OH2 TIP3 6790 70.030 62.675 -6.711 1.00 0.00 WT2 O ATOM 33362 H1 TIP3 6790 69.538 62.831 -5.905 1.00 0.00 WT2 H ATOM 33363 H2 TIP3 6790 69.997 61.726 -6.833 1.00 0.00 WT2 H ATOM 33364 OH2 TIP3 6791 44.131 91.958 7.602 1.00 0.00 WT2 O ATOM 33365 H1 TIP3 6791 44.921 91.419 7.572 1.00 0.00 WT2 H ATOM 33366 H2 TIP3 6791 43.777 91.915 6.713 1.00 0.00 WT2 H ATOM 33367 OH2 TIP3 6792 82.712 65.838 21.981 1.00 0.00 WT2 O ATOM 33368 H1 TIP3 6792 83.589 65.455 21.960 1.00 0.00 WT2 H ATOM 33369 H2 TIP3 6792 82.123 65.087 22.058 1.00 0.00 WT2 H ATOM 33370 OH2 TIP3 6803 55.866 36.258 50.914 1.00 0.00 WT2 O ATOM 33371 H1 TIP3 6803 55.642 37.148 51.187 1.00 0.00 WT2 H ATOM 33372 H2 TIP3 6803 55.417 36.143 50.077 1.00 0.00 WT2 H ATOM 33373 OH2 TIP3 6807 88.913 50.995 -6.545 1.00 0.00 WT2 O ATOM 33374 H1 TIP3 6807 88.796 51.327 -7.435 1.00 0.00 WT2 H ATOM 33375 H2 TIP3 6807 89.213 51.754 -6.044 1.00 0.00 WT2 H ATOM 33376 OH2 TIP3 6810 86.808 19.094 11.261 1.00 0.00 WT2 O ATOM 33377 H1 TIP3 6810 85.985 19.170 10.778 1.00 0.00 WT2 H ATOM 33378 H2 TIP3 6810 86.998 18.156 11.265 1.00 0.00 WT2 H ATOM 33379 OH2 TIP3 6811 60.403 88.917 -15.366 1.00 0.00 WT2 O ATOM 33380 H1 TIP3 6811 59.901 88.118 -15.204 1.00 0.00 WT2 H ATOM 33381 H2 TIP3 6811 60.172 89.168 -16.261 1.00 0.00 WT2 H ATOM 33382 OH2 TIP3 6813 26.177 27.247 56.838 1.00 0.00 WT2 O ATOM 33383 H1 TIP3 6813 26.035 26.943 57.735 1.00 0.00 WT2 H ATOM 33384 H2 TIP3 6813 26.829 26.644 56.481 1.00 0.00 WT2 H ATOM 33385 OH2 TIP3 6815 21.964 39.574 4.219 1.00 0.00 WT2 O ATOM 33386 H1 TIP3 6815 22.707 38.970 4.209 1.00 0.00 WT2 H ATOM 33387 H2 TIP3 6815 22.217 40.255 4.841 1.00 0.00 WT2 H ATOM 33388 OH2 TIP3 6825 33.917 40.912 50.281 1.00 0.00 WT2 O ATOM 33389 H1 TIP3 6825 34.729 41.410 50.382 1.00 0.00 WT2 H ATOM 33390 H2 TIP3 6825 33.351 41.482 49.760 1.00 0.00 WT2 H ATOM 33391 OH2 TIP3 6826 45.890 83.192 55.797 1.00 0.00 WT2 O ATOM 33392 H1 TIP3 6826 45.418 83.761 56.406 1.00 0.00 WT2 H ATOM 33393 H2 TIP3 6826 46.427 82.632 56.358 1.00 0.00 WT2 H ATOM 33394 OH2 TIP3 6827 23.537 2.689 46.517 1.00 0.00 WT2 O ATOM 33395 H1 TIP3 6827 22.855 2.065 46.763 1.00 0.00 WT2 H ATOM 33396 H2 TIP3 6827 23.585 3.296 47.255 1.00 0.00 WT2 H ATOM 33397 OH2 TIP3 6828 61.126 67.705 29.949 1.00 0.00 WT2 O ATOM 33398 H1 TIP3 6828 61.232 67.741 28.998 1.00 0.00 WT2 H ATOM 33399 H2 TIP3 6828 60.419 67.075 30.088 1.00 0.00 WT2 H ATOM 33400 OH2 TIP3 6831 59.534 26.230 50.621 1.00 0.00 WT2 O ATOM 33401 H1 TIP3 6831 59.608 27.051 51.107 1.00 0.00 WT2 H ATOM 33402 H2 TIP3 6831 60.439 25.941 50.500 1.00 0.00 WT2 H ATOM 33403 OH2 TIP3 6834 57.030 68.039 -4.700 1.00 0.00 WT2 O ATOM 33404 H1 TIP3 6834 56.751 67.137 -4.543 1.00 0.00 WT2 H ATOM 33405 H2 TIP3 6834 57.352 68.342 -3.851 1.00 0.00 WT2 H ATOM 33406 OH2 TIP3 6836 25.365 43.441 -7.950 1.00 0.00 WT2 O ATOM 33407 H1 TIP3 6836 24.516 43.856 -7.796 1.00 0.00 WT2 H ATOM 33408 H2 TIP3 6836 25.990 44.167 -7.951 1.00 0.00 WT2 H ATOM 33409 OH2 TIP3 6846 55.447 63.464 27.320 1.00 0.00 WT2 O ATOM 33410 H1 TIP3 6846 55.595 63.872 26.467 1.00 0.00 WT2 H ATOM 33411 H2 TIP3 6846 55.643 62.537 27.180 1.00 0.00 WT2 H ATOM 33412 OH2 TIP3 6848 33.294 62.657 59.525 1.00 0.00 WT2 O ATOM 33413 H1 TIP3 6848 34.156 62.656 59.110 1.00 0.00 WT2 H ATOM 33414 H2 TIP3 6848 33.393 63.235 60.282 1.00 0.00 WT2 H ATOM 33415 OH2 TIP3 6849 89.827 44.478 31.134 1.00 0.00 WT2 O ATOM 33416 H1 TIP3 6849 89.263 44.035 31.767 1.00 0.00 WT2 H ATOM 33417 H2 TIP3 6849 89.247 44.687 30.401 1.00 0.00 WT2 H ATOM 33418 OH2 TIP3 6850 68.945 68.135 57.557 1.00 0.00 WT2 O ATOM 33419 H1 TIP3 6850 68.544 68.034 56.693 1.00 0.00 WT2 H ATOM 33420 H2 TIP3 6850 68.552 68.932 57.912 1.00 0.00 WT2 H ATOM 33421 OH2 TIP3 6851 46.138 50.502 -4.739 1.00 0.00 WT2 O ATOM 33422 H1 TIP3 6851 46.285 50.782 -3.836 1.00 0.00 WT2 H ATOM 33423 H2 TIP3 6851 46.547 51.184 -5.272 1.00 0.00 WT2 H ATOM 33424 OH2 TIP3 6852 72.008 58.803 -5.987 1.00 0.00 WT2 O ATOM 33425 H1 TIP3 6852 71.402 58.607 -6.702 1.00 0.00 WT2 H ATOM 33426 H2 TIP3 6852 71.466 59.232 -5.325 1.00 0.00 WT2 H ATOM 33427 OH2 TIP3 6853 38.863 28.754 -11.314 1.00 0.00 WT2 O ATOM 33428 H1 TIP3 6853 38.948 29.672 -11.058 1.00 0.00 WT2 H ATOM 33429 H2 TIP3 6853 38.935 28.764 -12.269 1.00 0.00 WT2 H ATOM 33430 OH2 TIP3 6854 47.165 4.879 20.029 1.00 0.00 WT2 O ATOM 33431 H1 TIP3 6854 46.836 5.686 19.633 1.00 0.00 WT2 H ATOM 33432 H2 TIP3 6854 47.465 4.353 19.287 1.00 0.00 WT2 H ATOM 33433 OH2 TIP3 6855 68.041 16.673 0.432 1.00 0.00 WT2 O ATOM 33434 H1 TIP3 6855 67.142 16.768 0.746 1.00 0.00 WT2 H ATOM 33435 H2 TIP3 6855 68.432 17.537 0.559 1.00 0.00 WT2 H ATOM 33436 OH2 TIP3 6866 37.535 66.955 50.006 1.00 0.00 WT2 O ATOM 33437 H1 TIP3 6866 36.764 67.371 49.619 1.00 0.00 WT2 H ATOM 33438 H2 TIP3 6866 37.823 66.324 49.347 1.00 0.00 WT2 H ATOM 33439 OH2 TIP3 6867 85.878 25.339 51.139 1.00 0.00 WT2 O ATOM 33440 H1 TIP3 6867 85.471 24.473 51.166 1.00 0.00 WT2 H ATOM 33441 H2 TIP3 6867 86.756 25.202 51.497 1.00 0.00 WT2 H ATOM 33442 OH2 TIP3 6869 59.639 70.668 -9.546 1.00 0.00 WT2 O ATOM 33443 H1 TIP3 6869 60.593 70.720 -9.604 1.00 0.00 WT2 H ATOM 33444 H2 TIP3 6869 59.380 71.480 -9.111 1.00 0.00 WT2 H ATOM 33445 OH2 TIP3 6870 38.120 30.625 42.650 1.00 0.00 WT2 O ATOM 33446 H1 TIP3 6870 38.492 29.786 42.376 1.00 0.00 WT2 H ATOM 33447 H2 TIP3 6870 38.291 30.668 43.591 1.00 0.00 WT2 H ATOM 33448 OH2 TIP3 6872 64.671 50.494 43.372 1.00 0.00 WT2 O ATOM 33449 H1 TIP3 6872 63.907 50.913 43.768 1.00 0.00 WT2 H ATOM 33450 H2 TIP3 6872 65.260 51.218 43.160 1.00 0.00 WT2 H ATOM 33451 OH2 TIP3 6874 31.205 22.923 26.430 1.00 0.00 WT2 O ATOM 33452 H1 TIP3 6874 30.611 23.314 27.071 1.00 0.00 WT2 H ATOM 33453 H2 TIP3 6874 31.514 23.663 25.907 1.00 0.00 WT2 H ATOM 33454 OH2 TIP3 6886 25.680 46.067 37.955 1.00 0.00 WT2 O ATOM 33455 H1 TIP3 6886 26.149 45.563 37.289 1.00 0.00 WT2 H ATOM 33456 H2 TIP3 6886 25.615 45.474 38.703 1.00 0.00 WT2 H ATOM 33457 OH2 TIP3 6887 73.849 28.147 12.097 1.00 0.00 WT2 O ATOM 33458 H1 TIP3 6887 74.201 27.966 12.969 1.00 0.00 WT2 H ATOM 33459 H2 TIP3 6887 73.716 27.283 11.708 1.00 0.00 WT2 H ATOM 33460 OH2 TIP3 6889 47.063 65.021 -13.319 1.00 0.00 WT2 O ATOM 33461 H1 TIP3 6889 46.664 64.239 -12.937 1.00 0.00 WT2 H ATOM 33462 H2 TIP3 6889 47.809 65.211 -12.750 1.00 0.00 WT2 H ATOM 33463 OH2 TIP3 6890 41.122 77.765 30.692 1.00 0.00 WT2 O ATOM 33464 H1 TIP3 6890 41.319 76.941 31.137 1.00 0.00 WT2 H ATOM 33465 H2 TIP3 6890 40.974 77.515 29.780 1.00 0.00 WT2 H ATOM 33466 OH2 TIP3 6893 81.859 11.939 -2.322 1.00 0.00 WT2 O ATOM 33467 H1 TIP3 6893 81.015 12.176 -1.937 1.00 0.00 WT2 H ATOM 33468 H2 TIP3 6893 81.672 11.818 -3.253 1.00 0.00 WT2 H ATOM 33469 OH2 TIP3 6896 44.610 77.600 8.440 1.00 0.00 WT2 O ATOM 33470 H1 TIP3 6896 45.523 77.699 8.712 1.00 0.00 WT2 H ATOM 33471 H2 TIP3 6896 44.636 77.666 7.485 1.00 0.00 WT2 H ATOM 33472 OH2 TIP3 6910 90.073 48.876 15.262 1.00 0.00 WT2 O ATOM 33473 H1 TIP3 6910 90.455 49.438 14.588 1.00 0.00 WT2 H ATOM 33474 H2 TIP3 6910 89.173 48.730 14.971 1.00 0.00 WT2 H ATOM 33475 OH2 TIP3 6911 31.066 40.633 42.197 1.00 0.00 WT2 O ATOM 33476 H1 TIP3 6911 31.475 40.636 41.332 1.00 0.00 WT2 H ATOM 33477 H2 TIP3 6911 30.127 40.604 42.019 1.00 0.00 WT2 H ATOM 33478 OH2 TIP3 6913 38.952 88.382 30.169 1.00 0.00 WT2 O ATOM 33479 H1 TIP3 6913 39.401 89.136 29.789 1.00 0.00 WT2 H ATOM 33480 H2 TIP3 6913 38.631 87.888 29.415 1.00 0.00 WT2 H ATOM 33481 OH2 TIP3 6914 73.592 9.249 -19.296 1.00 0.00 WT2 O ATOM 33482 H1 TIP3 6914 72.682 9.231 -19.591 1.00 0.00 WT2 H ATOM 33483 H2 TIP3 6914 73.571 9.749 -18.480 1.00 0.00 WT2 H ATOM 33484 OH2 TIP3 6915 56.239 6.350 -17.542 1.00 0.00 WT2 O ATOM 33485 H1 TIP3 6915 57.145 6.050 -17.611 1.00 0.00 WT2 H ATOM 33486 H2 TIP3 6915 56.133 6.587 -16.621 1.00 0.00 WT2 H ATOM 33487 OH2 TIP3 6916 66.386 96.255 21.576 1.00 0.00 WT2 O ATOM 33488 H1 TIP3 6916 67.001 96.073 20.865 1.00 0.00 WT2 H ATOM 33489 H2 TIP3 6916 66.096 95.391 21.870 1.00 0.00 WT2 H ATOM 33490 OH2 TIP3 6919 81.394 79.011 39.142 1.00 0.00 WT2 O ATOM 33491 H1 TIP3 6919 80.599 79.190 39.645 1.00 0.00 WT2 H ATOM 33492 H2 TIP3 6919 81.515 78.064 39.213 1.00 0.00 WT2 H ATOM 33493 OH2 TIP3 6928 59.343 52.319 -15.819 1.00 0.00 WT2 O ATOM 33494 H1 TIP3 6928 59.740 51.869 -15.073 1.00 0.00 WT2 H ATOM 33495 H2 TIP3 6928 59.554 51.767 -16.572 1.00 0.00 WT2 H ATOM 33496 OH2 TIP3 6932 68.377 34.378 53.446 1.00 0.00 WT2 O ATOM 33497 H1 TIP3 6932 68.129 34.886 54.219 1.00 0.00 WT2 H ATOM 33498 H2 TIP3 6932 68.535 35.035 52.768 1.00 0.00 WT2 H ATOM 33499 OH2 TIP3 6933 69.072 75.382 29.559 1.00 0.00 WT2 O ATOM 33500 H1 TIP3 6933 68.487 75.660 30.264 1.00 0.00 WT2 H ATOM 33501 H2 TIP3 6933 69.370 76.200 29.160 1.00 0.00 WT2 H ATOM 33502 OH2 TIP3 6935 67.961 55.134 8.541 1.00 0.00 WT2 O ATOM 33503 H1 TIP3 6935 68.120 55.172 9.484 1.00 0.00 WT2 H ATOM 33504 H2 TIP3 6935 67.109 54.706 8.457 1.00 0.00 WT2 H ATOM 33505 OH2 TIP3 6936 67.628 25.921 44.357 1.00 0.00 WT2 O ATOM 33506 H1 TIP3 6936 66.719 25.721 44.582 1.00 0.00 WT2 H ATOM 33507 H2 TIP3 6936 67.918 26.522 45.043 1.00 0.00 WT2 H ATOM 33508 OH2 TIP3 6952 80.881 3.324 -11.224 1.00 0.00 WT2 O ATOM 33509 H1 TIP3 6952 80.641 3.199 -12.143 1.00 0.00 WT2 H ATOM 33510 H2 TIP3 6952 80.225 3.933 -10.885 1.00 0.00 WT2 H ATOM 33511 OH2 TIP3 6953 54.113 30.865 35.144 1.00 0.00 WT2 O ATOM 33512 H1 TIP3 6953 54.221 31.748 35.499 1.00 0.00 WT2 H ATOM 33513 H2 TIP3 6953 53.220 30.853 34.798 1.00 0.00 WT2 H ATOM 33514 OH2 TIP3 6955 43.980 70.732 29.996 1.00 0.00 WT2 O ATOM 33515 H1 TIP3 6955 44.539 71.451 29.702 1.00 0.00 WT2 H ATOM 33516 H2 TIP3 6955 44.579 70.124 30.429 1.00 0.00 WT2 H ATOM 33517 OH2 TIP3 6957 68.912 32.719 25.960 1.00 0.00 WT2 O ATOM 33518 H1 TIP3 6957 69.788 32.741 25.576 1.00 0.00 WT2 H ATOM 33519 H2 TIP3 6957 68.418 33.376 25.470 1.00 0.00 WT2 H ATOM 33520 OH2 TIP3 6959 44.779 53.998 -16.532 1.00 0.00 WT2 O ATOM 33521 H1 TIP3 6959 43.957 54.067 -16.047 1.00 0.00 WT2 H ATOM 33522 H2 TIP3 6959 45.365 54.619 -16.099 1.00 0.00 WT2 H ATOM 33523 OH2 TIP3 6970 90.359 88.691 37.295 1.00 0.00 WT2 O ATOM 33524 H1 TIP3 6970 90.265 88.718 36.343 1.00 0.00 WT2 H ATOM 33525 H2 TIP3 6970 90.831 87.876 37.467 1.00 0.00 WT2 H ATOM 33526 OH2 TIP3 6973 63.395 47.048 -4.770 1.00 0.00 WT2 O ATOM 33527 H1 TIP3 6973 63.930 47.182 -3.987 1.00 0.00 WT2 H ATOM 33528 H2 TIP3 6973 63.076 47.922 -4.995 1.00 0.00 WT2 H ATOM 33529 OH2 TIP3 6975 62.228 91.142 -18.059 1.00 0.00 WT2 O ATOM 33530 H1 TIP3 6975 62.642 91.839 -18.568 1.00 0.00 WT2 H ATOM 33531 H2 TIP3 6975 61.779 91.598 -17.348 1.00 0.00 WT2 H ATOM 33532 OH2 TIP3 6977 48.259 31.751 34.607 1.00 0.00 WT2 O ATOM 33533 H1 TIP3 6977 48.066 32.457 35.225 1.00 0.00 WT2 H ATOM 33534 H2 TIP3 6977 48.313 32.185 33.756 1.00 0.00 WT2 H ATOM 33535 OH2 TIP3 6978 58.034 44.108 45.510 1.00 0.00 WT2 O ATOM 33536 H1 TIP3 6978 58.243 43.195 45.312 1.00 0.00 WT2 H ATOM 33537 H2 TIP3 6978 57.290 44.313 44.943 1.00 0.00 WT2 H ATOM 33538 OH2 TIP3 6980 36.542 30.995 2.974 1.00 0.00 WT2 O ATOM 33539 H1 TIP3 6980 35.708 30.925 2.509 1.00 0.00 WT2 H ATOM 33540 H2 TIP3 6980 36.541 30.255 3.581 1.00 0.00 WT2 H ATOM 33541 OH2 TIP3 6993 49.811 55.839 43.312 1.00 0.00 WT2 O ATOM 33542 H1 TIP3 6993 50.443 56.471 42.971 1.00 0.00 WT2 H ATOM 33543 H2 TIP3 6993 49.396 56.288 44.049 1.00 0.00 WT2 H ATOM 33544 OH2 TIP3 6995 39.454 37.608 56.031 1.00 0.00 WT2 O ATOM 33545 H1 TIP3 6995 39.243 38.446 56.442 1.00 0.00 WT2 H ATOM 33546 H2 TIP3 6995 40.223 37.793 55.491 1.00 0.00 WT2 H ATOM 33547 OH2 TIP3 6997 36.972 56.851 24.024 1.00 0.00 WT2 O ATOM 33548 H1 TIP3 6997 36.974 57.713 24.440 1.00 0.00 WT2 H ATOM 33549 H2 TIP3 6997 37.835 56.778 23.617 1.00 0.00 WT2 H ATOM 33550 OH2 TIP3 6998 75.674 54.930 57.455 1.00 0.00 WT2 O ATOM 33551 H1 TIP3 6998 76.226 55.088 58.220 1.00 0.00 WT2 H ATOM 33552 H2 TIP3 6998 74.832 55.326 57.680 1.00 0.00 WT2 H ATOM 33553 OH2 TIP3 6999 75.008 40.530 46.402 1.00 0.00 WT2 O ATOM 33554 H1 TIP3 6999 75.249 39.928 45.697 1.00 0.00 WT2 H ATOM 33555 H2 TIP3 6999 75.169 40.035 47.205 1.00 0.00 WT2 H ATOM 33556 OH2 TIP3 7000 55.599 41.891 -12.634 1.00 0.00 WT2 O ATOM 33557 H1 TIP3 7000 55.085 42.677 -12.455 1.00 0.00 WT2 H ATOM 33558 H2 TIP3 7000 54.948 41.214 -12.818 1.00 0.00 WT2 H ATOM 33559 OH2 TIP3 7002 60.639 55.471 -19.596 1.00 0.00 WT2 O ATOM 33560 H1 TIP3 7002 61.170 56.074 -20.116 1.00 0.00 WT2 H ATOM 33561 H2 TIP3 7002 60.975 55.563 -18.704 1.00 0.00 WT2 H ATOM 33562 OH2 TIP3 7015 54.519 15.774 51.855 1.00 0.00 WT2 O ATOM 33563 H1 TIP3 7015 54.855 15.068 51.302 1.00 0.00 WT2 H ATOM 33564 H2 TIP3 7015 54.599 16.560 51.315 1.00 0.00 WT2 H ATOM 33565 OH2 TIP3 7017 45.810 23.612 46.450 1.00 0.00 WT2 O ATOM 33566 H1 TIP3 7017 45.360 24.271 46.979 1.00 0.00 WT2 H ATOM 33567 H2 TIP3 7017 46.325 24.118 45.823 1.00 0.00 WT2 H ATOM 33568 OH2 TIP3 7018 62.653 83.383 -15.005 1.00 0.00 WT2 O ATOM 33569 H1 TIP3 7018 63.594 83.207 -14.986 1.00 0.00 WT2 H ATOM 33570 H2 TIP3 7018 62.588 84.328 -15.141 1.00 0.00 WT2 H ATOM 33571 OH2 TIP3 7019 37.203 87.598 8.264 1.00 0.00 WT2 O ATOM 33572 H1 TIP3 7019 36.523 87.164 7.748 1.00 0.00 WT2 H ATOM 33573 H2 TIP3 7019 37.338 88.438 7.825 1.00 0.00 WT2 H ATOM 33574 OH2 TIP3 7020 25.759 88.122 -13.763 1.00 0.00 WT2 O ATOM 33575 H1 TIP3 7020 24.969 87.584 -13.705 1.00 0.00 WT2 H ATOM 33576 H2 TIP3 7020 26.423 87.626 -13.286 1.00 0.00 WT2 H ATOM 33577 OH2 TIP3 7021 64.541 22.546 -10.527 1.00 0.00 WT2 O ATOM 33578 H1 TIP3 7021 64.741 22.691 -11.452 1.00 0.00 WT2 H ATOM 33579 H2 TIP3 7021 63.585 22.506 -10.492 1.00 0.00 WT2 H ATOM 33580 OH2 TIP3 7023 90.168 57.238 26.589 1.00 0.00 WT2 O ATOM 33581 H1 TIP3 7023 91.077 56.938 26.613 1.00 0.00 WT2 H ATOM 33582 H2 TIP3 7023 89.649 56.441 26.700 1.00 0.00 WT2 H ATOM 33583 OH2 TIP3 7024 38.059 94.664 5.863 1.00 0.00 WT2 O ATOM 33584 H1 TIP3 7024 38.195 93.723 5.972 1.00 0.00 WT2 H ATOM 33585 H2 TIP3 7024 38.907 95.055 6.072 1.00 0.00 WT2 H ATOM 33586 OH2 TIP3 7035 78.137 21.659 48.477 1.00 0.00 WT2 O ATOM 33587 H1 TIP3 7035 78.344 22.510 48.090 1.00 0.00 WT2 H ATOM 33588 H2 TIP3 7035 77.264 21.451 48.146 1.00 0.00 WT2 H ATOM 33589 OH2 TIP3 7038 85.595 82.285 -17.014 1.00 0.00 WT2 O ATOM 33590 H1 TIP3 7038 85.555 82.542 -17.935 1.00 0.00 WT2 H ATOM 33591 H2 TIP3 7038 85.839 81.360 -17.033 1.00 0.00 WT2 H ATOM 33592 OH2 TIP3 7040 49.152 44.497 66.123 1.00 0.00 WT2 O ATOM 33593 H1 TIP3 7040 50.042 44.262 66.383 1.00 0.00 WT2 H ATOM 33594 H2 TIP3 7040 48.843 43.745 65.618 1.00 0.00 WT2 H ATOM 33595 OH2 TIP3 7041 76.091 34.623 10.101 1.00 0.00 WT2 O ATOM 33596 H1 TIP3 7041 77.015 34.633 10.348 1.00 0.00 WT2 H ATOM 33597 H2 TIP3 7041 75.622 34.529 10.931 1.00 0.00 WT2 H ATOM 33598 OH2 TIP3 7042 58.593 4.410 -2.604 1.00 0.00 WT2 O ATOM 33599 H1 TIP3 7042 58.076 3.730 -2.172 1.00 0.00 WT2 H ATOM 33600 H2 TIP3 7042 59.502 4.178 -2.415 1.00 0.00 WT2 H ATOM 33601 OH2 TIP3 7043 37.024 20.969 45.743 1.00 0.00 WT2 O ATOM 33602 H1 TIP3 7043 37.152 20.026 45.641 1.00 0.00 WT2 H ATOM 33603 H2 TIP3 7043 36.704 21.073 46.639 1.00 0.00 WT2 H ATOM 33604 OH2 TIP3 7044 41.136 37.957 -10.305 1.00 0.00 WT2 O ATOM 33605 H1 TIP3 7044 40.941 38.112 -9.381 1.00 0.00 WT2 H ATOM 33606 H2 TIP3 7044 40.295 38.065 -10.749 1.00 0.00 WT2 H ATOM 33607 OH2 TIP3 7052 76.196 78.883 33.599 1.00 0.00 WT2 O ATOM 33608 H1 TIP3 7052 75.965 78.959 34.525 1.00 0.00 WT2 H ATOM 33609 H2 TIP3 7052 77.151 78.955 33.584 1.00 0.00 WT2 H ATOM 33610 OH2 TIP3 7058 21.863 29.020 23.744 1.00 0.00 WT2 O ATOM 33611 H1 TIP3 7058 21.110 29.337 24.243 1.00 0.00 WT2 H ATOM 33612 H2 TIP3 7058 22.052 29.724 23.123 1.00 0.00 WT2 H ATOM 33613 OH2 TIP3 7059 35.693 76.111 41.691 1.00 0.00 WT2 O ATOM 33614 H1 TIP3 7059 36.248 75.331 41.681 1.00 0.00 WT2 H ATOM 33615 H2 TIP3 7059 35.189 76.057 40.879 1.00 0.00 WT2 H ATOM 33616 OH2 TIP3 7061 27.025 56.375 45.505 1.00 0.00 WT2 O ATOM 33617 H1 TIP3 7061 27.362 55.511 45.268 1.00 0.00 WT2 H ATOM 33618 H2 TIP3 7061 26.809 56.786 44.668 1.00 0.00 WT2 H ATOM 33619 OH2 TIP3 7062 80.297 0.843 2.210 1.00 0.00 WT2 O ATOM 33620 H1 TIP3 7062 80.549 1.318 3.002 1.00 0.00 WT2 H ATOM 33621 H2 TIP3 7062 80.642 1.373 1.492 1.00 0.00 WT2 H ATOM 33622 OH2 TIP3 7063 73.786 15.239 57.413 1.00 0.00 WT2 O ATOM 33623 H1 TIP3 7063 74.644 15.470 57.057 1.00 0.00 WT2 H ATOM 33624 H2 TIP3 7063 73.815 14.287 57.512 1.00 0.00 WT2 H ATOM 33625 OH2 TIP3 7064 45.031 7.423 -19.843 1.00 0.00 WT2 O ATOM 33626 H1 TIP3 7064 44.258 7.302 -20.394 1.00 0.00 WT2 H ATOM 33627 H2 TIP3 7064 44.827 6.951 -19.036 1.00 0.00 WT2 H ATOM 33628 OH2 TIP3 7065 40.246 75.125 64.228 1.00 0.00 WT2 O ATOM 33629 H1 TIP3 7065 40.369 75.494 65.103 1.00 0.00 WT2 H ATOM 33630 H2 TIP3 7065 41.099 75.220 63.805 1.00 0.00 WT2 H ATOM 33631 OH2 TIP3 7066 74.270 72.869 -16.354 1.00 0.00 WT2 O ATOM 33632 H1 TIP3 7066 74.095 72.502 -15.487 1.00 0.00 WT2 H ATOM 33633 H2 TIP3 7066 73.882 72.242 -16.963 1.00 0.00 WT2 H ATOM 33634 OH2 TIP3 7076 88.840 0.779 42.646 1.00 0.00 WT2 O ATOM 33635 H1 TIP3 7076 88.545 0.050 42.100 1.00 0.00 WT2 H ATOM 33636 H2 TIP3 7076 89.794 0.774 42.558 1.00 0.00 WT2 H ATOM 33637 OH2 TIP3 7078 69.700 39.811 15.164 1.00 0.00 WT2 O ATOM 33638 H1 TIP3 7078 68.968 39.480 14.644 1.00 0.00 WT2 H ATOM 33639 H2 TIP3 7078 69.796 40.723 14.890 1.00 0.00 WT2 H ATOM 33640 OH2 TIP3 7081 49.768 24.309 45.163 1.00 0.00 WT2 O ATOM 33641 H1 TIP3 7081 49.813 24.891 44.404 1.00 0.00 WT2 H ATOM 33642 H2 TIP3 7081 50.680 24.192 45.430 1.00 0.00 WT2 H ATOM 33643 OH2 TIP3 7100 72.848 3.916 11.335 1.00 0.00 WT2 O ATOM 33644 H1 TIP3 7100 73.659 4.142 10.880 1.00 0.00 WT2 H ATOM 33645 H2 TIP3 7100 73.125 3.341 12.048 1.00 0.00 WT2 H ATOM 33646 OH2 TIP3 7101 90.184 81.802 29.573 1.00 0.00 WT2 O ATOM 33647 H1 TIP3 7101 89.903 82.410 28.889 1.00 0.00 WT2 H ATOM 33648 H2 TIP3 7101 89.643 82.025 30.330 1.00 0.00 WT2 H ATOM 33649 OH2 TIP3 7102 32.697 95.221 3.714 1.00 0.00 WT2 O ATOM 33650 H1 TIP3 7102 33.172 94.831 2.981 1.00 0.00 WT2 H ATOM 33651 H2 TIP3 7102 32.318 94.475 4.179 1.00 0.00 WT2 H ATOM 33652 OH2 TIP3 7104 78.829 13.058 -3.601 1.00 0.00 WT2 O ATOM 33653 H1 TIP3 7104 79.413 13.729 -3.953 1.00 0.00 WT2 H ATOM 33654 H2 TIP3 7104 78.381 12.702 -4.368 1.00 0.00 WT2 H ATOM 33655 OH2 TIP3 7107 20.603 8.277 40.443 1.00 0.00 WT2 O ATOM 33656 H1 TIP3 7107 20.480 9.141 40.836 1.00 0.00 WT2 H ATOM 33657 H2 TIP3 7107 20.425 8.410 39.512 1.00 0.00 WT2 H ATOM 33658 OH2 TIP3 7120 48.809 75.305 40.984 1.00 0.00 WT2 O ATOM 33659 H1 TIP3 7120 48.503 75.236 40.080 1.00 0.00 WT2 H ATOM 33660 H2 TIP3 7120 48.541 76.181 41.262 1.00 0.00 WT2 H ATOM 33661 OH2 TIP3 7121 49.659 83.362 30.192 1.00 0.00 WT2 O ATOM 33662 H1 TIP3 7121 49.296 83.289 29.309 1.00 0.00 WT2 H ATOM 33663 H2 TIP3 7121 49.871 82.462 30.439 1.00 0.00 WT2 H ATOM 33664 OH2 TIP3 7122 37.091 56.760 9.694 1.00 0.00 WT2 O ATOM 33665 H1 TIP3 7122 37.885 57.292 9.756 1.00 0.00 WT2 H ATOM 33666 H2 TIP3 7122 37.401 55.857 9.769 1.00 0.00 WT2 H ATOM 33667 OH2 TIP3 7123 51.989 7.536 32.174 1.00 0.00 WT2 O ATOM 33668 H1 TIP3 7123 51.579 7.750 31.336 1.00 0.00 WT2 H ATOM 33669 H2 TIP3 7123 51.709 8.235 32.764 1.00 0.00 WT2 H ATOM 33670 OH2 TIP3 7124 69.041 52.394 26.724 1.00 0.00 WT2 O ATOM 33671 H1 TIP3 7124 68.501 53.101 26.373 1.00 0.00 WT2 H ATOM 33672 H2 TIP3 7124 68.576 51.593 26.481 1.00 0.00 WT2 H ATOM 33673 OH2 TIP3 7125 80.953 42.900 57.176 1.00 0.00 WT2 O ATOM 33674 H1 TIP3 7125 81.101 43.653 57.748 1.00 0.00 WT2 H ATOM 33675 H2 TIP3 7125 80.479 43.258 56.425 1.00 0.00 WT2 H ATOM 33676 OH2 TIP3 7128 74.538 2.511 58.472 1.00 0.00 WT2 O ATOM 33677 H1 TIP3 7128 73.757 2.050 58.775 1.00 0.00 WT2 H ATOM 33678 H2 TIP3 7128 75.156 2.442 59.200 1.00 0.00 WT2 H ATOM 33679 OH2 TIP3 7141 28.411 22.579 0.813 1.00 0.00 WT2 O ATOM 33680 H1 TIP3 7141 28.855 22.904 1.597 1.00 0.00 WT2 H ATOM 33681 H2 TIP3 7141 29.030 21.960 0.425 1.00 0.00 WT2 H ATOM 33682 OH2 TIP3 7142 28.024 46.090 5.411 1.00 0.00 WT2 O ATOM 33683 H1 TIP3 7142 27.567 46.191 4.576 1.00 0.00 WT2 H ATOM 33684 H2 TIP3 7142 28.953 46.101 5.178 1.00 0.00 WT2 H ATOM 33685 OH2 TIP3 7143 31.361 20.323 14.099 1.00 0.00 WT2 O ATOM 33686 H1 TIP3 7143 32.188 19.913 14.351 1.00 0.00 WT2 H ATOM 33687 H2 TIP3 7143 31.287 20.155 13.159 1.00 0.00 WT2 H ATOM 33688 OH2 TIP3 7144 53.565 12.922 51.476 1.00 0.00 WT2 O ATOM 33689 H1 TIP3 7144 54.070 12.396 52.096 1.00 0.00 WT2 H ATOM 33690 H2 TIP3 7144 54.217 13.264 50.865 1.00 0.00 WT2 H ATOM 33691 OH2 TIP3 7145 75.376 54.284 33.754 1.00 0.00 WT2 O ATOM 33692 H1 TIP3 7145 74.632 54.078 33.188 1.00 0.00 WT2 H ATOM 33693 H2 TIP3 7145 75.412 55.241 33.765 1.00 0.00 WT2 H ATOM 33694 OH2 TIP3 7146 47.052 83.130 62.332 1.00 0.00 WT2 O ATOM 33695 H1 TIP3 7146 46.956 82.293 61.879 1.00 0.00 WT2 H ATOM 33696 H2 TIP3 7146 47.946 83.409 62.134 1.00 0.00 WT2 H ATOM 33697 OH2 TIP3 7147 44.176 9.108 52.917 1.00 0.00 WT2 O ATOM 33698 H1 TIP3 7147 44.951 8.731 52.500 1.00 0.00 WT2 H ATOM 33699 H2 TIP3 7147 44.100 9.983 52.536 1.00 0.00 WT2 H ATOM 33700 OH2 TIP3 7148 85.927 24.252 38.327 1.00 0.00 WT2 O ATOM 33701 H1 TIP3 7148 85.695 25.042 38.815 1.00 0.00 WT2 H ATOM 33702 H2 TIP3 7148 86.834 24.074 38.574 1.00 0.00 WT2 H ATOM 33703 OH2 TIP3 7161 52.881 41.390 -6.868 1.00 0.00 WT2 O ATOM 33704 H1 TIP3 7161 52.688 40.659 -6.281 1.00 0.00 WT2 H ATOM 33705 H2 TIP3 7161 52.105 41.948 -6.819 1.00 0.00 WT2 H ATOM 33706 OH2 TIP3 7166 34.484 82.261 22.551 1.00 0.00 WT2 O ATOM 33707 H1 TIP3 7166 34.116 81.378 22.525 1.00 0.00 WT2 H ATOM 33708 H2 TIP3 7166 35.430 82.126 22.617 1.00 0.00 WT2 H ATOM 33709 OH2 TIP3 7179 76.886 72.904 -19.026 1.00 0.00 WT2 O ATOM 33710 H1 TIP3 7179 77.664 72.357 -19.138 1.00 0.00 WT2 H ATOM 33711 H2 TIP3 7179 76.812 73.387 -19.849 1.00 0.00 WT2 H ATOM 33712 OH2 TIP3 7181 31.619 72.908 33.959 1.00 0.00 WT2 O ATOM 33713 H1 TIP3 7181 32.070 73.751 33.910 1.00 0.00 WT2 H ATOM 33714 H2 TIP3 7181 32.309 72.279 34.171 1.00 0.00 WT2 H ATOM 33715 OH2 TIP3 7182 84.643 3.802 64.115 1.00 0.00 WT2 O ATOM 33716 H1 TIP3 7182 84.224 3.047 63.701 1.00 0.00 WT2 H ATOM 33717 H2 TIP3 7182 83.984 4.140 64.722 1.00 0.00 WT2 H ATOM 33718 OH2 TIP3 7183 69.623 22.257 61.613 1.00 0.00 WT2 O ATOM 33719 H1 TIP3 7183 68.708 21.980 61.568 1.00 0.00 WT2 H ATOM 33720 H2 TIP3 7183 69.582 23.212 61.670 1.00 0.00 WT2 H ATOM 33721 OH2 TIP3 7184 32.397 30.898 -14.481 1.00 0.00 WT2 O ATOM 33722 H1 TIP3 7184 32.982 30.962 -13.726 1.00 0.00 WT2 H ATOM 33723 H2 TIP3 7184 32.895 30.399 -15.128 1.00 0.00 WT2 H ATOM 33724 OH2 TIP3 7185 32.263 1.568 23.033 1.00 0.00 WT2 O ATOM 33725 H1 TIP3 7185 32.995 1.289 22.482 1.00 0.00 WT2 H ATOM 33726 H2 TIP3 7185 32.030 0.787 23.535 1.00 0.00 WT2 H ATOM 33727 OH2 TIP3 7186 73.734 5.155 -0.413 1.00 0.00 WT2 O ATOM 33728 H1 TIP3 7186 74.557 5.601 -0.613 1.00 0.00 WT2 H ATOM 33729 H2 TIP3 7186 73.830 4.287 -0.804 1.00 0.00 WT2 H ATOM 33730 OH2 TIP3 7187 64.802 55.029 -14.974 1.00 0.00 WT2 O ATOM 33731 H1 TIP3 7187 64.509 55.936 -15.060 1.00 0.00 WT2 H ATOM 33732 H2 TIP3 7187 65.473 54.929 -15.650 1.00 0.00 WT2 H ATOM 33733 OH2 TIP3 7188 79.148 18.851 58.051 1.00 0.00 WT2 O ATOM 33734 H1 TIP3 7188 79.825 19.251 57.506 1.00 0.00 WT2 H ATOM 33735 H2 TIP3 7188 79.593 18.641 58.872 1.00 0.00 WT2 H ATOM 33736 OH2 TIP3 7189 24.784 14.824 50.681 1.00 0.00 WT2 O ATOM 33737 H1 TIP3 7189 24.916 13.961 50.289 1.00 0.00 WT2 H ATOM 33738 H2 TIP3 7189 25.668 15.173 50.796 1.00 0.00 WT2 H ATOM 33739 OH2 TIP3 7200 63.467 4.763 22.388 1.00 0.00 WT2 O ATOM 33740 H1 TIP3 7200 63.100 5.523 22.841 1.00 0.00 WT2 H ATOM 33741 H2 TIP3 7200 63.992 4.318 23.054 1.00 0.00 WT2 H ATOM 33742 OH2 TIP3 7203 73.799 59.301 44.141 1.00 0.00 WT2 O ATOM 33743 H1 TIP3 7203 74.250 59.975 44.649 1.00 0.00 WT2 H ATOM 33744 H2 TIP3 7203 73.059 59.041 44.690 1.00 0.00 WT2 H ATOM 33745 OH2 TIP3 7206 63.741 68.078 -19.081 1.00 0.00 WT2 O ATOM 33746 H1 TIP3 7206 64.576 68.490 -18.860 1.00 0.00 WT2 H ATOM 33747 H2 TIP3 7206 63.308 68.709 -19.656 1.00 0.00 WT2 H ATOM 33748 OH2 TIP3 7207 79.313 37.808 36.323 1.00 0.00 WT2 O ATOM 33749 H1 TIP3 7207 79.833 37.667 37.114 1.00 0.00 WT2 H ATOM 33750 H2 TIP3 7207 79.031 36.931 36.062 1.00 0.00 WT2 H ATOM 33751 OH2 TIP3 7210 53.251 91.166 -15.518 1.00 0.00 WT2 O ATOM 33752 H1 TIP3 7210 52.863 90.325 -15.759 1.00 0.00 WT2 H ATOM 33753 H2 TIP3 7210 53.757 90.979 -14.726 1.00 0.00 WT2 H ATOM 33754 OH2 TIP3 7211 84.898 20.359 59.048 1.00 0.00 WT2 O ATOM 33755 H1 TIP3 7211 85.634 20.549 59.630 1.00 0.00 WT2 H ATOM 33756 H2 TIP3 7211 84.632 19.469 59.280 1.00 0.00 WT2 H ATOM 33757 OH2 TIP3 7212 48.977 53.651 0.505 1.00 0.00 WT2 O ATOM 33758 H1 TIP3 7212 49.759 53.889 1.002 1.00 0.00 WT2 H ATOM 33759 H2 TIP3 7212 48.503 54.475 0.394 1.00 0.00 WT2 H ATOM 33760 OH2 TIP3 7213 22.589 20.684 46.057 1.00 0.00 WT2 O ATOM 33761 H1 TIP3 7213 22.183 20.653 45.191 1.00 0.00 WT2 H ATOM 33762 H2 TIP3 7213 23.347 21.259 45.947 1.00 0.00 WT2 H ATOM 33763 OH2 TIP3 7222 86.975 92.762 3.593 1.00 0.00 WT2 O ATOM 33764 H1 TIP3 7222 87.048 92.990 4.519 1.00 0.00 WT2 H ATOM 33765 H2 TIP3 7222 86.111 92.358 3.512 1.00 0.00 WT2 H ATOM 33766 OH2 TIP3 7226 24.355 29.988 65.273 1.00 0.00 WT2 O ATOM 33767 H1 TIP3 7226 23.570 29.544 65.593 1.00 0.00 WT2 H ATOM 33768 H2 TIP3 7226 24.066 30.881 65.085 1.00 0.00 WT2 H ATOM 33769 OH2 TIP3 7227 51.156 21.984 31.056 1.00 0.00 WT2 O ATOM 33770 H1 TIP3 7227 52.019 21.662 30.793 1.00 0.00 WT2 H ATOM 33771 H2 TIP3 7227 50.538 21.421 30.590 1.00 0.00 WT2 H ATOM 33772 OH2 TIP3 7228 20.491 9.040 -12.992 1.00 0.00 WT2 O ATOM 33773 H1 TIP3 7228 21.441 9.120 -12.902 1.00 0.00 WT2 H ATOM 33774 H2 TIP3 7228 20.143 9.831 -12.581 1.00 0.00 WT2 H ATOM 33775 OH2 TIP3 7229 60.185 54.374 58.170 1.00 0.00 WT2 O ATOM 33776 H1 TIP3 7229 60.609 54.876 58.866 1.00 0.00 WT2 H ATOM 33777 H2 TIP3 7229 60.247 53.463 58.458 1.00 0.00 WT2 H ATOM 33778 OH2 TIP3 7230 31.595 24.085 -4.143 1.00 0.00 WT2 O ATOM 33779 H1 TIP3 7230 31.093 23.546 -4.754 1.00 0.00 WT2 H ATOM 33780 H2 TIP3 7230 32.238 24.534 -4.692 1.00 0.00 WT2 H ATOM 33781 OH2 TIP3 7246 41.952 43.854 26.897 1.00 0.00 WT2 O ATOM 33782 H1 TIP3 7246 42.779 44.335 26.877 1.00 0.00 WT2 H ATOM 33783 H2 TIP3 7246 41.704 43.765 25.976 1.00 0.00 WT2 H ATOM 33784 OH2 TIP3 7247 64.496 94.121 -16.363 1.00 0.00 WT2 O ATOM 33785 H1 TIP3 7247 64.053 93.808 -17.152 1.00 0.00 WT2 H ATOM 33786 H2 TIP3 7247 65.254 93.544 -16.269 1.00 0.00 WT2 H ATOM 33787 OH2 TIP3 7248 76.095 16.313 64.848 1.00 0.00 WT2 O ATOM 33788 H1 TIP3 7248 76.784 15.649 64.822 1.00 0.00 WT2 H ATOM 33789 H2 TIP3 7248 76.028 16.625 63.946 1.00 0.00 WT2 H ATOM 33790 OH2 TIP3 7249 25.142 36.107 40.879 1.00 0.00 WT2 O ATOM 33791 H1 TIP3 7249 24.388 35.603 40.573 1.00 0.00 WT2 H ATOM 33792 H2 TIP3 7249 25.101 36.924 40.383 1.00 0.00 WT2 H ATOM 33793 OH2 TIP3 7250 77.318 93.888 64.176 1.00 0.00 WT2 O ATOM 33794 H1 TIP3 7250 77.798 94.347 63.487 1.00 0.00 WT2 H ATOM 33795 H2 TIP3 7250 77.639 94.275 64.990 1.00 0.00 WT2 H ATOM 33796 OH2 TIP3 7251 42.811 26.685 41.164 1.00 0.00 WT2 O ATOM 33797 H1 TIP3 7251 43.575 26.290 40.743 1.00 0.00 WT2 H ATOM 33798 H2 TIP3 7251 42.674 27.506 40.691 1.00 0.00 WT2 H ATOM 33799 OH2 TIP3 7253 56.920 94.196 39.677 1.00 0.00 WT2 O ATOM 33800 H1 TIP3 7253 56.173 94.266 39.083 1.00 0.00 WT2 H ATOM 33801 H2 TIP3 7253 57.626 93.845 39.135 1.00 0.00 WT2 H ATOM 33802 OH2 TIP3 7254 53.893 92.903 65.350 1.00 0.00 WT2 O ATOM 33803 H1 TIP3 7254 54.724 92.435 65.432 1.00 0.00 WT2 H ATOM 33804 H2 TIP3 7254 54.141 93.827 65.305 1.00 0.00 WT2 H ATOM 33805 OH2 TIP3 7264 53.838 44.095 -11.324 1.00 0.00 WT2 O ATOM 33806 H1 TIP3 7264 54.076 44.732 -11.997 1.00 0.00 WT2 H ATOM 33807 H2 TIP3 7264 54.330 44.368 -10.550 1.00 0.00 WT2 H ATOM 33808 OH2 TIP3 7267 76.731 63.080 36.241 1.00 0.00 WT2 O ATOM 33809 H1 TIP3 7267 77.371 63.792 36.242 1.00 0.00 WT2 H ATOM 33810 H2 TIP3 7267 75.934 63.473 36.597 1.00 0.00 WT2 H ATOM 33811 OH2 TIP3 7268 37.334 49.649 57.675 1.00 0.00 WT2 O ATOM 33812 H1 TIP3 7268 37.043 50.560 57.673 1.00 0.00 WT2 H ATOM 33813 H2 TIP3 7268 37.624 49.487 56.777 1.00 0.00 WT2 H ATOM 33814 OH2 TIP3 7269 74.215 10.505 38.769 1.00 0.00 WT2 O ATOM 33815 H1 TIP3 7269 75.080 10.870 38.583 1.00 0.00 WT2 H ATOM 33816 H2 TIP3 7269 74.209 10.372 39.717 1.00 0.00 WT2 H ATOM 33817 OH2 TIP3 7270 32.325 22.151 49.630 1.00 0.00 WT2 O ATOM 33818 H1 TIP3 7270 32.335 23.056 49.943 1.00 0.00 WT2 H ATOM 33819 H2 TIP3 7270 33.151 21.781 49.943 1.00 0.00 WT2 H ATOM 33820 OH2 TIP3 7271 86.475 65.879 -17.286 1.00 0.00 WT2 O ATOM 33821 H1 TIP3 7271 86.109 66.399 -16.571 1.00 0.00 WT2 H ATOM 33822 H2 TIP3 7271 85.712 65.497 -17.721 1.00 0.00 WT2 H ATOM 33823 OH2 TIP3 7272 54.409 22.761 15.235 1.00 0.00 WT2 O ATOM 33824 H1 TIP3 7272 53.632 22.266 14.976 1.00 0.00 WT2 H ATOM 33825 H2 TIP3 7272 54.077 23.633 15.450 1.00 0.00 WT2 H ATOM 33826 OH2 TIP3 7273 26.469 49.767 14.197 1.00 0.00 WT2 O ATOM 33827 H1 TIP3 7273 26.536 50.710 14.346 1.00 0.00 WT2 H ATOM 33828 H2 TIP3 7273 25.539 49.572 14.308 1.00 0.00 WT2 H ATOM 33829 OH2 TIP3 7276 89.042 81.578 -7.333 1.00 0.00 WT2 O ATOM 33830 H1 TIP3 7276 88.726 80.770 -6.928 1.00 0.00 WT2 H ATOM 33831 H2 TIP3 7276 88.351 82.218 -7.162 1.00 0.00 WT2 H ATOM 33832 OH2 TIP3 7287 77.823 12.516 -10.886 1.00 0.00 WT2 O ATOM 33833 H1 TIP3 7287 77.957 13.323 -10.390 1.00 0.00 WT2 H ATOM 33834 H2 TIP3 7287 76.872 12.420 -10.935 1.00 0.00 WT2 H ATOM 33835 OH2 TIP3 7291 86.350 27.082 3.563 1.00 0.00 WT2 O ATOM 33836 H1 TIP3 7291 86.450 26.457 4.281 1.00 0.00 WT2 H ATOM 33837 H2 TIP3 7291 86.312 26.539 2.776 1.00 0.00 WT2 H ATOM 33838 OH2 TIP3 7293 51.783 28.248 -12.639 1.00 0.00 WT2 O ATOM 33839 H1 TIP3 7293 52.135 29.138 -12.635 1.00 0.00 WT2 H ATOM 33840 H2 TIP3 7293 51.442 28.121 -11.754 1.00 0.00 WT2 H ATOM 33841 OH2 TIP3 7294 44.094 31.721 -19.023 1.00 0.00 WT2 O ATOM 33842 H1 TIP3 7294 43.674 32.581 -19.022 1.00 0.00 WT2 H ATOM 33843 H2 TIP3 7294 44.577 31.690 -18.197 1.00 0.00 WT2 H ATOM 33844 OH2 TIP3 7297 37.428 7.022 -10.753 1.00 0.00 WT2 O ATOM 33845 H1 TIP3 7297 37.300 7.471 -11.589 1.00 0.00 WT2 H ATOM 33846 H2 TIP3 7297 38.329 6.699 -10.789 1.00 0.00 WT2 H ATOM 33847 OH2 TIP3 7307 26.506 27.375 33.550 1.00 0.00 WT2 O ATOM 33848 H1 TIP3 7307 26.086 26.519 33.472 1.00 0.00 WT2 H ATOM 33849 H2 TIP3 7307 25.943 27.866 34.148 1.00 0.00 WT2 H ATOM 33850 OH2 TIP3 7310 71.824 25.270 44.823 1.00 0.00 WT2 O ATOM 33851 H1 TIP3 7310 71.956 25.838 44.065 1.00 0.00 WT2 H ATOM 33852 H2 TIP3 7310 71.461 24.463 44.459 1.00 0.00 WT2 H ATOM 33853 OH2 TIP3 7311 81.145 12.184 44.074 1.00 0.00 WT2 O ATOM 33854 H1 TIP3 7311 81.772 12.411 44.761 1.00 0.00 WT2 H ATOM 33855 H2 TIP3 7311 81.687 11.961 43.318 1.00 0.00 WT2 H ATOM 33856 OH2 TIP3 7312 42.251 38.057 49.137 1.00 0.00 WT2 O ATOM 33857 H1 TIP3 7312 41.889 37.774 48.297 1.00 0.00 WT2 H ATOM 33858 H2 TIP3 7312 43.198 38.060 49.002 1.00 0.00 WT2 H ATOM 33859 OH2 TIP3 7313 87.393 96.044 45.493 1.00 0.00 WT2 O ATOM 33860 H1 TIP3 7313 87.075 96.931 45.665 1.00 0.00 WT2 H ATOM 33861 H2 TIP3 7313 87.192 95.892 44.570 1.00 0.00 WT2 H ATOM 33862 OH2 TIP3 7314 30.638 15.267 0.797 1.00 0.00 WT2 O ATOM 33863 H1 TIP3 7314 30.872 16.185 0.663 1.00 0.00 WT2 H ATOM 33864 H2 TIP3 7314 31.439 14.783 0.593 1.00 0.00 WT2 H ATOM 33865 OH2 TIP3 7315 77.407 62.074 28.073 1.00 0.00 WT2 O ATOM 33866 H1 TIP3 7315 77.033 62.953 28.127 1.00 0.00 WT2 H ATOM 33867 H2 TIP3 7315 77.960 62.096 27.292 1.00 0.00 WT2 H ATOM 33868 OH2 TIP3 7328 78.190 14.417 -1.146 1.00 0.00 WT2 O ATOM 33869 H1 TIP3 7328 77.855 13.995 -1.936 1.00 0.00 WT2 H ATOM 33870 H2 TIP3 7328 78.954 13.895 -0.901 1.00 0.00 WT2 H ATOM 33871 OH2 TIP3 7331 51.026 46.977 -18.610 1.00 0.00 WT2 O ATOM 33872 H1 TIP3 7331 50.565 47.769 -18.886 1.00 0.00 WT2 H ATOM 33873 H2 TIP3 7331 51.004 47.007 -17.653 1.00 0.00 WT2 H ATOM 33874 OH2 TIP3 7333 89.627 30.235 -9.782 1.00 0.00 WT2 O ATOM 33875 H1 TIP3 7333 90.043 29.770 -10.509 1.00 0.00 WT2 H ATOM 33876 H2 TIP3 7333 88.696 30.031 -9.869 1.00 0.00 WT2 H ATOM 33877 OH2 TIP3 7334 83.152 61.525 25.125 1.00 0.00 WT2 O ATOM 33878 H1 TIP3 7334 83.628 60.741 25.398 1.00 0.00 WT2 H ATOM 33879 H2 TIP3 7334 82.939 61.369 24.205 1.00 0.00 WT2 H ATOM 33880 OH2 TIP3 7335 46.363 33.222 63.971 1.00 0.00 WT2 O ATOM 33881 H1 TIP3 7335 46.425 32.328 63.633 1.00 0.00 WT2 H ATOM 33882 H2 TIP3 7335 47.161 33.340 64.485 1.00 0.00 WT2 H ATOM 33883 OH2 TIP3 7336 28.879 25.600 -8.957 1.00 0.00 WT2 O ATOM 33884 H1 TIP3 7336 29.268 26.367 -9.379 1.00 0.00 WT2 H ATOM 33885 H2 TIP3 7336 28.786 25.853 -8.038 1.00 0.00 WT2 H ATOM 33886 OH2 TIP3 7339 66.298 39.471 53.358 1.00 0.00 WT2 O ATOM 33887 H1 TIP3 7339 65.639 40.107 53.080 1.00 0.00 WT2 H ATOM 33888 H2 TIP3 7339 65.968 38.629 53.043 1.00 0.00 WT2 H ATOM 33889 OH2 TIP3 7351 69.757 27.338 60.844 1.00 0.00 WT2 O ATOM 33890 H1 TIP3 7351 70.483 26.730 60.983 1.00 0.00 WT2 H ATOM 33891 H2 TIP3 7351 70.149 28.076 60.377 1.00 0.00 WT2 H ATOM 33892 OH2 TIP3 7352 80.175 78.750 1.379 1.00 0.00 WT2 O ATOM 33893 H1 TIP3 7352 79.438 79.359 1.330 1.00 0.00 WT2 H ATOM 33894 H2 TIP3 7352 80.204 78.481 2.297 1.00 0.00 WT2 H ATOM 33895 OH2 TIP3 7353 38.554 96.386 56.042 1.00 0.00 WT2 O ATOM 33896 H1 TIP3 7353 38.599 95.868 55.238 1.00 0.00 WT2 H ATOM 33897 H2 TIP3 7353 37.809 96.022 56.520 1.00 0.00 WT2 H ATOM 33898 OH2 TIP3 7354 29.512 16.683 53.865 1.00 0.00 WT2 O ATOM 33899 H1 TIP3 7354 29.627 15.733 53.881 1.00 0.00 WT2 H ATOM 33900 H2 TIP3 7354 30.263 17.024 54.352 1.00 0.00 WT2 H ATOM 33901 OH2 TIP3 7355 88.845 10.905 48.504 1.00 0.00 WT2 O ATOM 33902 H1 TIP3 7355 88.551 10.778 47.602 1.00 0.00 WT2 H ATOM 33903 H2 TIP3 7355 89.147 11.813 48.532 1.00 0.00 WT2 H ATOM 33904 OH2 TIP3 7356 47.562 45.038 -12.931 1.00 0.00 WT2 O ATOM 33905 H1 TIP3 7356 47.936 45.480 -12.169 1.00 0.00 WT2 H ATOM 33906 H2 TIP3 7356 47.067 44.304 -12.565 1.00 0.00 WT2 H ATOM 33907 OH2 TIP3 7357 42.355 34.465 57.397 1.00 0.00 WT2 O ATOM 33908 H1 TIP3 7357 41.399 34.408 57.422 1.00 0.00 WT2 H ATOM 33909 H2 TIP3 7357 42.544 34.983 56.615 1.00 0.00 WT2 H ATOM 33910 OH2 TIP3 7359 43.958 60.086 -17.416 1.00 0.00 WT2 O ATOM 33911 H1 TIP3 7359 43.517 60.813 -17.855 1.00 0.00 WT2 H ATOM 33912 H2 TIP3 7359 44.891 60.267 -17.531 1.00 0.00 WT2 H ATOM 33913 OH2 TIP3 7370 23.341 40.838 -14.709 1.00 0.00 WT2 O ATOM 33914 H1 TIP3 7370 23.281 39.915 -14.462 1.00 0.00 WT2 H ATOM 33915 H2 TIP3 7370 23.972 41.211 -14.093 1.00 0.00 WT2 H ATOM 33916 OH2 TIP3 7371 87.871 22.069 -6.775 1.00 0.00 WT2 O ATOM 33917 H1 TIP3 7371 87.510 21.767 -7.608 1.00 0.00 WT2 H ATOM 33918 H2 TIP3 7371 88.442 21.357 -6.488 1.00 0.00 WT2 H ATOM 33919 OH2 TIP3 7374 23.892 62.582 61.185 1.00 0.00 WT2 O ATOM 33920 H1 TIP3 7374 23.953 63.038 62.025 1.00 0.00 WT2 H ATOM 33921 H2 TIP3 7374 22.953 62.502 61.022 1.00 0.00 WT2 H ATOM 33922 OH2 TIP3 7376 57.633 48.673 -3.894 1.00 0.00 WT2 O ATOM 33923 H1 TIP3 7376 57.804 48.570 -2.958 1.00 0.00 WT2 H ATOM 33924 H2 TIP3 7376 56.696 48.497 -3.987 1.00 0.00 WT2 H ATOM 33925 OH2 TIP3 7378 56.686 10.054 52.831 1.00 0.00 WT2 O ATOM 33926 H1 TIP3 7378 56.468 10.954 53.072 1.00 0.00 WT2 H ATOM 33927 H2 TIP3 7378 57.594 10.098 52.531 1.00 0.00 WT2 H ATOM 33928 OH2 TIP3 7379 52.139 23.000 49.191 1.00 0.00 WT2 O ATOM 33929 H1 TIP3 7379 52.648 22.296 48.789 1.00 0.00 WT2 H ATOM 33930 H2 TIP3 7379 51.277 22.940 48.777 1.00 0.00 WT2 H ATOM 33931 OH2 TIP3 7380 67.468 90.652 3.943 1.00 0.00 WT2 O ATOM 33932 H1 TIP3 7380 67.127 90.481 3.065 1.00 0.00 WT2 H ATOM 33933 H2 TIP3 7380 67.295 91.582 4.090 1.00 0.00 WT2 H ATOM 33934 OH2 TIP3 7382 89.911 77.530 66.303 1.00 0.00 WT2 O ATOM 33935 H1 TIP3 7382 90.298 78.394 66.161 1.00 0.00 WT2 H ATOM 33936 H2 TIP3 7382 90.659 76.933 66.326 1.00 0.00 WT2 H ATOM 33937 OH2 TIP3 7393 20.871 24.380 51.009 1.00 0.00 WT2 O ATOM 33938 H1 TIP3 7393 21.225 23.869 50.281 1.00 0.00 WT2 H ATOM 33939 H2 TIP3 7393 21.548 24.337 51.684 1.00 0.00 WT2 H ATOM 33940 OH2 TIP3 7394 26.522 65.218 -17.256 1.00 0.00 WT2 O ATOM 33941 H1 TIP3 7394 26.907 64.384 -16.988 1.00 0.00 WT2 H ATOM 33942 H2 TIP3 7394 25.813 64.974 -17.852 1.00 0.00 WT2 H ATOM 33943 OH2 TIP3 7395 43.933 35.318 3.728 1.00 0.00 WT2 O ATOM 33944 H1 TIP3 7395 43.400 35.843 4.324 1.00 0.00 WT2 H ATOM 33945 H2 TIP3 7395 44.827 35.631 3.866 1.00 0.00 WT2 H ATOM 33946 OH2 TIP3 7396 79.574 59.911 26.333 1.00 0.00 WT2 O ATOM 33947 H1 TIP3 7396 79.374 60.846 26.288 1.00 0.00 WT2 H ATOM 33948 H2 TIP3 7396 78.797 59.481 25.976 1.00 0.00 WT2 H ATOM 33949 OH2 TIP3 7397 41.184 40.516 54.332 1.00 0.00 WT2 O ATOM 33950 H1 TIP3 7397 41.735 41.173 54.757 1.00 0.00 WT2 H ATOM 33951 H2 TIP3 7397 41.677 40.255 53.554 1.00 0.00 WT2 H ATOM 33952 OH2 TIP3 7398 34.410 86.084 66.636 1.00 0.00 WT2 O ATOM 33953 H1 TIP3 7398 35.151 85.545 66.911 1.00 0.00 WT2 H ATOM 33954 H2 TIP3 7398 34.312 85.897 65.702 1.00 0.00 WT2 H ATOM 33955 OH2 TIP3 7399 61.723 63.807 53.643 1.00 0.00 WT2 O ATOM 33956 H1 TIP3 7399 61.780 64.242 54.494 1.00 0.00 WT2 H ATOM 33957 H2 TIP3 7399 61.235 63.002 53.818 1.00 0.00 WT2 H ATOM 33958 OH2 TIP3 7400 70.090 59.547 11.817 1.00 0.00 WT2 O ATOM 33959 H1 TIP3 7400 70.333 58.737 11.369 1.00 0.00 WT2 H ATOM 33960 H2 TIP3 7400 69.435 59.277 12.461 1.00 0.00 WT2 H ATOM 33961 OH2 TIP3 7415 88.156 81.025 -15.364 1.00 0.00 WT2 O ATOM 33962 H1 TIP3 7415 88.463 80.288 -14.836 1.00 0.00 WT2 H ATOM 33963 H2 TIP3 7415 88.254 81.787 -14.793 1.00 0.00 WT2 H ATOM 33964 OH2 TIP3 7416 77.676 15.162 62.354 1.00 0.00 WT2 O ATOM 33965 H1 TIP3 7416 78.356 14.801 61.785 1.00 0.00 WT2 H ATOM 33966 H2 TIP3 7416 77.046 15.560 61.753 1.00 0.00 WT2 H ATOM 33967 OH2 TIP3 7418 25.289 16.222 -15.328 1.00 0.00 WT2 O ATOM 33968 H1 TIP3 7418 25.320 16.668 -14.481 1.00 0.00 WT2 H ATOM 33969 H2 TIP3 7418 25.145 16.922 -15.963 1.00 0.00 WT2 H ATOM 33970 OH2 TIP3 7419 38.911 35.386 52.985 1.00 0.00 WT2 O ATOM 33971 H1 TIP3 7419 38.453 34.964 52.258 1.00 0.00 WT2 H ATOM 33972 H2 TIP3 7419 39.683 35.784 52.582 1.00 0.00 WT2 H ATOM 33973 OH2 TIP3 7420 67.290 31.374 47.330 1.00 0.00 WT2 O ATOM 33974 H1 TIP3 7420 67.411 30.581 46.808 1.00 0.00 WT2 H ATOM 33975 H2 TIP3 7420 67.191 32.073 46.685 1.00 0.00 WT2 H ATOM 33976 OH2 TIP3 7421 42.325 20.020 58.781 1.00 0.00 WT2 O ATOM 33977 H1 TIP3 7421 43.133 20.356 59.169 1.00 0.00 WT2 H ATOM 33978 H2 TIP3 7421 42.383 19.071 58.890 1.00 0.00 WT2 H ATOM 33979 OH2 TIP3 7422 32.646 18.523 57.505 1.00 0.00 WT2 O ATOM 33980 H1 TIP3 7422 32.675 19.480 57.541 1.00 0.00 WT2 H ATOM 33981 H2 TIP3 7422 31.818 18.292 57.926 1.00 0.00 WT2 H ATOM 33982 OH2 TIP3 7434 28.992 62.796 -6.664 1.00 0.00 WT2 O ATOM 33983 H1 TIP3 7434 28.698 62.232 -5.949 1.00 0.00 WT2 H ATOM 33984 H2 TIP3 7434 28.266 62.788 -7.289 1.00 0.00 WT2 H ATOM 33985 OH2 TIP3 7435 40.265 93.625 -6.525 1.00 0.00 WT2 O ATOM 33986 H1 TIP3 7435 39.466 94.020 -6.178 1.00 0.00 WT2 H ATOM 33987 H2 TIP3 7435 39.971 92.817 -6.945 1.00 0.00 WT2 H ATOM 33988 OH2 TIP3 7437 20.744 15.932 2.015 1.00 0.00 WT2 O ATOM 33989 H1 TIP3 7437 20.282 16.751 1.841 1.00 0.00 WT2 H ATOM 33990 H2 TIP3 7437 20.067 15.339 2.343 1.00 0.00 WT2 H ATOM 33991 OH2 TIP3 7438 47.604 23.926 32.382 1.00 0.00 WT2 O ATOM 33992 H1 TIP3 7438 48.037 24.600 31.858 1.00 0.00 WT2 H ATOM 33993 H2 TIP3 7438 47.236 23.321 31.738 1.00 0.00 WT2 H ATOM 33994 OH2 TIP3 7439 87.676 93.460 -13.930 1.00 0.00 WT2 O ATOM 33995 H1 TIP3 7439 87.535 92.996 -14.755 1.00 0.00 WT2 H ATOM 33996 H2 TIP3 7439 88.568 93.228 -13.673 1.00 0.00 WT2 H ATOM 33997 OH2 TIP3 7440 46.146 6.862 18.170 1.00 0.00 WT2 O ATOM 33998 H1 TIP3 7440 45.903 7.783 18.262 1.00 0.00 WT2 H ATOM 33999 H2 TIP3 7440 45.406 6.464 17.711 1.00 0.00 WT2 H ATOM 34000 OH2 TIP3 7441 37.722 27.013 33.327 1.00 0.00 WT2 O ATOM 34001 H1 TIP3 7441 38.106 27.432 34.098 1.00 0.00 WT2 H ATOM 34002 H2 TIP3 7441 38.375 27.135 32.638 1.00 0.00 WT2 H ATOM 34003 OH2 TIP3 7443 64.657 75.260 52.832 1.00 0.00 WT2 O ATOM 34004 H1 TIP3 7443 64.221 75.784 52.161 1.00 0.00 WT2 H ATOM 34005 H2 TIP3 7443 65.547 75.138 52.502 1.00 0.00 WT2 H ATOM 34006 OH2 TIP3 7454 88.808 60.155 44.787 1.00 0.00 WT2 O ATOM 34007 H1 TIP3 7454 88.648 60.365 45.707 1.00 0.00 WT2 H ATOM 34008 H2 TIP3 7454 88.870 59.201 44.767 1.00 0.00 WT2 H ATOM 34009 OH2 TIP3 7455 81.571 10.898 55.337 1.00 0.00 WT2 O ATOM 34010 H1 TIP3 7455 82.131 11.595 55.680 1.00 0.00 WT2 H ATOM 34011 H2 TIP3 7455 80.744 11.002 55.808 1.00 0.00 WT2 H ATOM 34012 OH2 TIP3 7457 83.843 59.156 20.100 1.00 0.00 WT2 O ATOM 34013 H1 TIP3 7457 83.531 59.242 21.001 1.00 0.00 WT2 H ATOM 34014 H2 TIP3 7457 84.090 60.045 19.845 1.00 0.00 WT2 H ATOM 34015 OH2 TIP3 7461 67.484 23.204 -3.251 1.00 0.00 WT2 O ATOM 34016 H1 TIP3 7461 68.440 23.177 -3.236 1.00 0.00 WT2 H ATOM 34017 H2 TIP3 7461 67.228 23.169 -2.329 1.00 0.00 WT2 H ATOM 34018 OH2 TIP3 7463 21.273 22.767 48.859 1.00 0.00 WT2 O ATOM 34019 H1 TIP3 7463 20.470 22.252 48.940 1.00 0.00 WT2 H ATOM 34020 H2 TIP3 7463 21.845 22.235 48.305 1.00 0.00 WT2 H ATOM 34021 OH2 TIP3 7475 27.718 68.625 35.116 1.00 0.00 WT2 O ATOM 34022 H1 TIP3 7475 27.917 67.798 34.678 1.00 0.00 WT2 H ATOM 34023 H2 TIP3 7475 27.055 69.037 34.562 1.00 0.00 WT2 H ATOM 34024 OH2 TIP3 7477 58.267 15.879 49.218 1.00 0.00 WT2 O ATOM 34025 H1 TIP3 7477 58.167 15.385 48.404 1.00 0.00 WT2 H ATOM 34026 H2 TIP3 7477 57.967 16.762 49.001 1.00 0.00 WT2 H ATOM 34027 OH2 TIP3 7479 26.194 55.447 35.282 1.00 0.00 WT2 O ATOM 34028 H1 TIP3 7479 26.485 56.112 34.658 1.00 0.00 WT2 H ATOM 34029 H2 TIP3 7479 26.464 54.617 34.891 1.00 0.00 WT2 H ATOM 34030 OH2 TIP3 7480 57.614 16.182 36.767 1.00 0.00 WT2 O ATOM 34031 H1 TIP3 7480 58.171 16.907 36.483 1.00 0.00 WT2 H ATOM 34032 H2 TIP3 7480 57.923 15.430 36.262 1.00 0.00 WT2 H ATOM 34033 OH2 TIP3 7481 88.834 64.005 -13.417 1.00 0.00 WT2 O ATOM 34034 H1 TIP3 7481 88.210 64.004 -14.143 1.00 0.00 WT2 H ATOM 34035 H2 TIP3 7481 89.461 64.692 -13.640 1.00 0.00 WT2 H ATOM 34036 OH2 TIP3 7489 26.807 74.925 -1.991 1.00 0.00 WT2 O ATOM 34037 H1 TIP3 7489 26.813 74.663 -2.911 1.00 0.00 WT2 H ATOM 34038 H2 TIP3 7489 27.378 74.291 -1.557 1.00 0.00 WT2 H ATOM 34039 OH2 TIP3 7493 84.562 9.584 58.509 1.00 0.00 WT2 O ATOM 34040 H1 TIP3 7493 84.955 10.435 58.707 1.00 0.00 WT2 H ATOM 34041 H2 TIP3 7493 84.441 9.171 59.363 1.00 0.00 WT2 H ATOM 34042 OH2 TIP3 7496 20.804 78.348 -9.413 1.00 0.00 WT2 O ATOM 34043 H1 TIP3 7496 21.073 78.934 -8.706 1.00 0.00 WT2 H ATOM 34044 H2 TIP3 7496 20.404 77.601 -8.967 1.00 0.00 WT2 H ATOM 34045 OH2 TIP3 7498 64.675 24.294 33.769 1.00 0.00 WT2 O ATOM 34046 H1 TIP3 7498 65.352 24.281 34.446 1.00 0.00 WT2 H ATOM 34047 H2 TIP3 7498 64.953 24.983 33.165 1.00 0.00 WT2 H ATOM 34048 OH2 TIP3 7499 65.147 86.642 57.374 1.00 0.00 WT2 O ATOM 34049 H1 TIP3 7499 65.724 86.326 56.679 1.00 0.00 WT2 H ATOM 34050 H2 TIP3 7499 64.982 87.558 57.152 1.00 0.00 WT2 H ATOM 34051 OH2 TIP3 7500 80.971 88.455 61.848 1.00 0.00 WT2 O ATOM 34052 H1 TIP3 7500 80.698 88.181 60.972 1.00 0.00 WT2 H ATOM 34053 H2 TIP3 7500 80.163 88.742 62.273 1.00 0.00 WT2 H ATOM 34054 OH2 TIP3 7501 89.346 90.297 52.541 1.00 0.00 WT2 O ATOM 34055 H1 TIP3 7501 90.039 90.321 53.202 1.00 0.00 WT2 H ATOM 34056 H2 TIP3 7501 89.791 90.027 51.738 1.00 0.00 WT2 H ATOM 34057 OH2 TIP3 7502 23.124 65.431 -1.710 1.00 0.00 WT2 O ATOM 34058 H1 TIP3 7502 22.344 64.880 -1.640 1.00 0.00 WT2 H ATOM 34059 H2 TIP3 7502 23.131 65.722 -2.622 1.00 0.00 WT2 H ATOM 34060 OH2 TIP3 7503 38.988 22.057 -17.021 1.00 0.00 WT2 O ATOM 34061 H1 TIP3 7503 39.837 21.758 -16.694 1.00 0.00 WT2 H ATOM 34062 H2 TIP3 7503 38.535 22.389 -16.246 1.00 0.00 WT2 H ATOM 34063 OH2 TIP3 7504 81.747 24.877 -4.167 1.00 0.00 WT2 O ATOM 34064 H1 TIP3 7504 81.915 25.688 -3.687 1.00 0.00 WT2 H ATOM 34065 H2 TIP3 7504 81.659 24.209 -3.487 1.00 0.00 WT2 H ATOM 34066 OH2 TIP3 7510 53.288 36.535 6.022 1.00 0.00 WT2 O ATOM 34067 H1 TIP3 7510 52.704 37.106 6.520 1.00 0.00 WT2 H ATOM 34068 H2 TIP3 7510 53.831 36.109 6.685 1.00 0.00 WT2 H ATOM 34069 OH2 TIP3 7515 89.315 6.963 -2.356 1.00 0.00 WT2 O ATOM 34070 H1 TIP3 7515 88.947 6.911 -3.238 1.00 0.00 WT2 H ATOM 34071 H2 TIP3 7515 88.786 7.628 -1.914 1.00 0.00 WT2 H ATOM 34072 OH2 TIP3 7518 85.714 2.541 11.828 1.00 0.00 WT2 O ATOM 34073 H1 TIP3 7518 86.555 2.088 11.884 1.00 0.00 WT2 H ATOM 34074 H2 TIP3 7518 85.660 3.048 12.638 1.00 0.00 WT2 H ATOM 34075 OH2 TIP3 7519 26.291 30.723 42.438 1.00 0.00 WT2 O ATOM 34076 H1 TIP3 7519 25.490 30.678 41.915 1.00 0.00 WT2 H ATOM 34077 H2 TIP3 7519 26.905 30.144 41.988 1.00 0.00 WT2 H ATOM 34078 OH2 TIP3 7521 77.862 49.488 45.072 1.00 0.00 WT2 O ATOM 34079 H1 TIP3 7521 77.550 48.604 44.880 1.00 0.00 WT2 H ATOM 34080 H2 TIP3 7521 78.412 49.718 44.323 1.00 0.00 WT2 H ATOM 34081 OH2 TIP3 7522 37.849 82.817 -18.313 1.00 0.00 WT2 O ATOM 34082 H1 TIP3 7522 36.931 82.647 -18.524 1.00 0.00 WT2 H ATOM 34083 H2 TIP3 7522 37.952 82.495 -17.417 1.00 0.00 WT2 H ATOM 34084 OH2 TIP3 7523 72.471 10.634 58.008 1.00 0.00 WT2 O ATOM 34085 H1 TIP3 7523 72.124 10.151 57.258 1.00 0.00 WT2 H ATOM 34086 H2 TIP3 7523 72.301 10.066 58.759 1.00 0.00 WT2 H ATOM 34087 OH2 TIP3 7525 70.827 55.273 -18.265 1.00 0.00 WT2 O ATOM 34088 H1 TIP3 7525 70.047 55.827 -18.234 1.00 0.00 WT2 H ATOM 34089 H2 TIP3 7525 70.729 54.678 -17.521 1.00 0.00 WT2 H ATOM 34090 OH2 TIP3 7526 58.782 15.238 63.759 1.00 0.00 WT2 O ATOM 34091 H1 TIP3 7526 57.980 15.314 64.276 1.00 0.00 WT2 H ATOM 34092 H2 TIP3 7526 58.796 14.326 63.471 1.00 0.00 WT2 H ATOM 34093 OH2 TIP3 7541 60.995 77.563 -12.586 1.00 0.00 WT2 O ATOM 34094 H1 TIP3 7541 60.789 77.140 -11.753 1.00 0.00 WT2 H ATOM 34095 H2 TIP3 7541 61.933 77.751 -12.534 1.00 0.00 WT2 H ATOM 34096 OH2 TIP3 7543 86.897 68.051 42.910 1.00 0.00 WT2 O ATOM 34097 H1 TIP3 7543 87.377 67.925 42.092 1.00 0.00 WT2 H ATOM 34098 H2 TIP3 7543 87.521 67.809 43.595 1.00 0.00 WT2 H ATOM 34099 OH2 TIP3 7544 57.303 54.272 0.866 1.00 0.00 WT2 O ATOM 34100 H1 TIP3 7544 56.658 53.588 1.047 1.00 0.00 WT2 H ATOM 34101 H2 TIP3 7544 57.551 54.603 1.729 1.00 0.00 WT2 H ATOM 34102 OH2 TIP3 7545 69.948 41.434 19.740 1.00 0.00 WT2 O ATOM 34103 H1 TIP3 7545 69.787 42.213 20.272 1.00 0.00 WT2 H ATOM 34104 H2 TIP3 7545 70.190 41.776 18.879 1.00 0.00 WT2 H ATOM 34105 OH2 TIP3 7549 66.048 89.205 -0.997 1.00 0.00 WT2 O ATOM 34106 H1 TIP3 7549 66.155 88.504 -1.640 1.00 0.00 WT2 H ATOM 34107 H2 TIP3 7549 66.747 89.055 -0.360 1.00 0.00 WT2 H ATOM 34108 OH2 TIP3 7559 74.522 86.349 -0.709 1.00 0.00 WT2 O ATOM 34109 H1 TIP3 7559 74.766 85.438 -0.874 1.00 0.00 WT2 H ATOM 34110 H2 TIP3 7559 73.921 86.569 -1.420 1.00 0.00 WT2 H ATOM 34111 OH2 TIP3 7561 57.695 2.556 53.278 1.00 0.00 WT2 O ATOM 34112 H1 TIP3 7561 57.457 3.458 53.491 1.00 0.00 WT2 H ATOM 34113 H2 TIP3 7561 56.870 2.143 53.025 1.00 0.00 WT2 H ATOM 34114 OH2 TIP3 7563 82.285 7.053 52.166 1.00 0.00 WT2 O ATOM 34115 H1 TIP3 7563 83.238 7.001 52.098 1.00 0.00 WT2 H ATOM 34116 H2 TIP3 7563 82.121 7.253 53.087 1.00 0.00 WT2 H ATOM 34117 OH2 TIP3 7564 85.390 94.714 47.307 1.00 0.00 WT2 O ATOM 34118 H1 TIP3 7564 85.519 95.206 48.118 1.00 0.00 WT2 H ATOM 34119 H2 TIP3 7564 86.070 95.040 46.718 1.00 0.00 WT2 H ATOM 34120 OH2 TIP3 7565 47.076 83.399 48.510 1.00 0.00 WT2 O ATOM 34121 H1 TIP3 7565 47.942 83.632 48.175 1.00 0.00 WT2 H ATOM 34122 H2 TIP3 7565 47.219 82.588 48.999 1.00 0.00 WT2 H ATOM 34123 OH2 TIP3 7566 35.218 66.430 36.300 1.00 0.00 WT2 O ATOM 34124 H1 TIP3 7566 35.787 66.872 35.670 1.00 0.00 WT2 H ATOM 34125 H2 TIP3 7566 35.809 66.141 36.996 1.00 0.00 WT2 H ATOM 34126 OH2 TIP3 7567 41.623 7.425 -18.622 1.00 0.00 WT2 O ATOM 34127 H1 TIP3 7567 41.411 8.189 -19.159 1.00 0.00 WT2 H ATOM 34128 H2 TIP3 7567 42.109 6.846 -19.210 1.00 0.00 WT2 H ATOM 34129 OH2 TIP3 7582 45.788 26.220 62.196 1.00 0.00 WT2 O ATOM 34130 H1 TIP3 7582 46.562 26.556 62.647 1.00 0.00 WT2 H ATOM 34131 H2 TIP3 7582 45.177 26.957 62.185 1.00 0.00 WT2 H ATOM 34132 OH2 TIP3 7584 45.853 37.466 31.299 1.00 0.00 WT2 O ATOM 34133 H1 TIP3 7584 46.032 37.383 30.363 1.00 0.00 WT2 H ATOM 34134 H2 TIP3 7584 46.674 37.219 31.724 1.00 0.00 WT2 H ATOM 34135 OH2 TIP3 7586 71.809 83.949 -2.120 1.00 0.00 WT2 O ATOM 34136 H1 TIP3 7586 72.018 83.316 -2.807 1.00 0.00 WT2 H ATOM 34137 H2 TIP3 7586 72.213 84.765 -2.414 1.00 0.00 WT2 H ATOM 34138 OH2 TIP3 7587 66.261 50.804 -10.973 1.00 0.00 WT2 O ATOM 34139 H1 TIP3 7587 66.076 49.908 -11.253 1.00 0.00 WT2 H ATOM 34140 H2 TIP3 7587 66.178 50.780 -10.019 1.00 0.00 WT2 H ATOM 34141 OH2 TIP3 7594 29.553 36.920 3.841 1.00 0.00 WT2 O ATOM 34142 H1 TIP3 7594 29.557 36.334 3.084 1.00 0.00 WT2 H ATOM 34143 H2 TIP3 7594 29.231 37.753 3.497 1.00 0.00 WT2 H ATOM 34144 OH2 TIP3 7602 73.784 54.518 -3.642 1.00 0.00 WT2 O ATOM 34145 H1 TIP3 7602 73.727 54.997 -2.816 1.00 0.00 WT2 H ATOM 34146 H2 TIP3 7602 73.581 55.170 -4.312 1.00 0.00 WT2 H ATOM 34147 OH2 TIP3 7603 67.788 26.828 48.636 1.00 0.00 WT2 O ATOM 34148 H1 TIP3 7603 67.369 27.361 47.960 1.00 0.00 WT2 H ATOM 34149 H2 TIP3 7603 68.675 27.181 48.706 1.00 0.00 WT2 H ATOM 34150 OH2 TIP3 7605 86.473 14.810 60.821 1.00 0.00 WT2 O ATOM 34151 H1 TIP3 7605 87.045 14.045 60.767 1.00 0.00 WT2 H ATOM 34152 H2 TIP3 7605 86.251 14.879 61.750 1.00 0.00 WT2 H ATOM 34153 OH2 TIP3 7608 54.351 81.428 60.582 1.00 0.00 WT2 O ATOM 34154 H1 TIP3 7608 54.984 81.970 60.112 1.00 0.00 WT2 H ATOM 34155 H2 TIP3 7608 53.873 82.044 61.138 1.00 0.00 WT2 H ATOM 34156 OH2 TIP3 7612 74.019 72.690 42.182 1.00 0.00 WT2 O ATOM 34157 H1 TIP3 7612 74.648 72.889 41.489 1.00 0.00 WT2 H ATOM 34158 H2 TIP3 7612 74.069 73.440 42.775 1.00 0.00 WT2 H ATOM 34159 OH2 TIP3 7625 77.259 31.329 -0.467 1.00 0.00 WT2 O ATOM 34160 H1 TIP3 7625 77.776 30.953 0.246 1.00 0.00 WT2 H ATOM 34161 H2 TIP3 7625 76.466 30.795 -0.495 1.00 0.00 WT2 H ATOM 34162 OH2 TIP3 7626 29.596 6.873 -5.540 1.00 0.00 WT2 O ATOM 34163 H1 TIP3 7626 29.924 7.649 -5.086 1.00 0.00 WT2 H ATOM 34164 H2 TIP3 7626 29.084 7.221 -6.271 1.00 0.00 WT2 H ATOM 34165 OH2 TIP3 7628 43.869 19.051 48.030 1.00 0.00 WT2 O ATOM 34166 H1 TIP3 7628 43.202 19.730 48.131 1.00 0.00 WT2 H ATOM 34167 H2 TIP3 7628 44.647 19.521 47.730 1.00 0.00 WT2 H ATOM 34168 OH2 TIP3 7630 35.416 94.539 14.279 1.00 0.00 WT2 O ATOM 34169 H1 TIP3 7630 35.687 95.035 15.052 1.00 0.00 WT2 H ATOM 34170 H2 TIP3 7630 36.185 94.546 13.709 1.00 0.00 WT2 H ATOM 34171 OH2 TIP3 7631 30.815 32.829 -15.711 1.00 0.00 WT2 O ATOM 34172 H1 TIP3 7631 31.278 32.063 -15.372 1.00 0.00 WT2 H ATOM 34173 H2 TIP3 7631 30.602 33.344 -14.933 1.00 0.00 WT2 H ATOM 34174 OH2 TIP3 7643 71.708 83.753 -13.398 1.00 0.00 WT2 O ATOM 34175 H1 TIP3 7643 70.793 83.889 -13.645 1.00 0.00 WT2 H ATOM 34176 H2 TIP3 7643 71.739 82.852 -13.076 1.00 0.00 WT2 H ATOM 34177 OH2 TIP3 7644 27.782 69.711 13.305 1.00 0.00 WT2 O ATOM 34178 H1 TIP3 7644 26.960 70.083 13.622 1.00 0.00 WT2 H ATOM 34179 H2 TIP3 7644 28.457 70.130 13.839 1.00 0.00 WT2 H ATOM 34180 OH2 TIP3 7645 74.950 22.666 60.983 1.00 0.00 WT2 O ATOM 34181 H1 TIP3 7645 75.830 23.020 61.113 1.00 0.00 WT2 H ATOM 34182 H2 TIP3 7645 74.454 22.969 61.743 1.00 0.00 WT2 H ATOM 34183 OH2 TIP3 7646 38.887 31.642 45.072 1.00 0.00 WT2 O ATOM 34184 H1 TIP3 7646 38.173 31.694 45.707 1.00 0.00 WT2 H ATOM 34185 H2 TIP3 7646 39.639 31.340 45.581 1.00 0.00 WT2 H ATOM 34186 OH2 TIP3 7647 37.149 28.246 48.081 1.00 0.00 WT2 O ATOM 34187 H1 TIP3 7647 37.751 27.618 47.682 1.00 0.00 WT2 H ATOM 34188 H2 TIP3 7647 37.036 27.933 48.978 1.00 0.00 WT2 H ATOM 34189 OH2 TIP3 7648 76.287 61.375 20.527 1.00 0.00 WT2 O ATOM 34190 H1 TIP3 7648 75.403 61.658 20.760 1.00 0.00 WT2 H ATOM 34191 H2 TIP3 7648 76.841 62.131 20.720 1.00 0.00 WT2 H ATOM 34192 OH2 TIP3 7649 42.690 3.371 65.275 1.00 0.00 WT2 O ATOM 34193 H1 TIP3 7649 42.231 2.581 64.992 1.00 0.00 WT2 H ATOM 34194 H2 TIP3 7649 43.330 3.538 64.583 1.00 0.00 WT2 H ATOM 34195 OH2 TIP3 7650 38.722 28.891 63.153 1.00 0.00 WT2 O ATOM 34196 H1 TIP3 7650 38.510 29.768 62.836 1.00 0.00 WT2 H ATOM 34197 H2 TIP3 7650 39.345 29.036 63.865 1.00 0.00 WT2 H ATOM 34198 OH2 TIP3 7652 38.679 92.704 23.926 1.00 0.00 WT2 O ATOM 34199 H1 TIP3 7652 39.243 93.250 24.474 1.00 0.00 WT2 H ATOM 34200 H2 TIP3 7652 37.809 92.791 24.316 1.00 0.00 WT2 H ATOM 34201 OH2 TIP3 7653 57.400 36.643 -9.007 1.00 0.00 WT2 O ATOM 34202 H1 TIP3 7653 57.259 37.562 -8.777 1.00 0.00 WT2 H ATOM 34203 H2 TIP3 7653 58.300 36.613 -9.333 1.00 0.00 WT2 H ATOM 34204 OH2 TIP3 7663 79.729 34.498 43.369 1.00 0.00 WT2 O ATOM 34205 H1 TIP3 7663 80.660 34.652 43.208 1.00 0.00 WT2 H ATOM 34206 H2 TIP3 7663 79.429 34.015 42.599 1.00 0.00 WT2 H ATOM 34207 OH2 TIP3 7668 37.745 36.090 17.552 1.00 0.00 WT2 O ATOM 34208 H1 TIP3 7668 37.934 36.834 18.124 1.00 0.00 WT2 H ATOM 34209 H2 TIP3 7668 38.605 35.743 17.318 1.00 0.00 WT2 H ATOM 34210 OH2 TIP3 7669 89.013 68.353 24.360 1.00 0.00 WT2 O ATOM 34211 H1 TIP3 7669 89.145 67.446 24.084 1.00 0.00 WT2 H ATOM 34212 H2 TIP3 7669 89.090 68.326 25.314 1.00 0.00 WT2 H ATOM 34213 OH2 TIP3 7670 65.302 91.041 58.685 1.00 0.00 WT2 O ATOM 34214 H1 TIP3 7670 65.432 90.483 59.451 1.00 0.00 WT2 H ATOM 34215 H2 TIP3 7670 64.358 91.201 58.661 1.00 0.00 WT2 H ATOM 34216 OH2 TIP3 7673 75.140 40.904 56.445 1.00 0.00 WT2 O ATOM 34217 H1 TIP3 7673 75.232 41.422 55.645 1.00 0.00 WT2 H ATOM 34218 H2 TIP3 7673 74.200 40.743 56.520 1.00 0.00 WT2 H ATOM 34219 OH2 TIP3 7686 47.921 50.573 60.695 1.00 0.00 WT2 O ATOM 34220 H1 TIP3 7686 47.200 51.173 60.887 1.00 0.00 WT2 H ATOM 34221 H2 TIP3 7686 47.991 50.579 59.740 1.00 0.00 WT2 H ATOM 34222 OH2 TIP3 7688 74.714 5.557 -11.055 1.00 0.00 WT2 O ATOM 34223 H1 TIP3 7688 74.860 6.398 -10.621 1.00 0.00 WT2 H ATOM 34224 H2 TIP3 7688 75.040 4.906 -10.433 1.00 0.00 WT2 H ATOM 34225 OH2 TIP3 7689 45.446 94.015 -11.089 1.00 0.00 WT2 O ATOM 34226 H1 TIP3 7689 46.105 93.459 -10.673 1.00 0.00 WT2 H ATOM 34227 H2 TIP3 7689 44.901 94.322 -10.365 1.00 0.00 WT2 H ATOM 34228 OH2 TIP3 7690 63.475 37.312 54.814 1.00 0.00 WT2 O ATOM 34229 H1 TIP3 7690 62.569 37.220 55.110 1.00 0.00 WT2 H ATOM 34230 H2 TIP3 7690 63.998 37.215 55.610 1.00 0.00 WT2 H ATOM 34231 OH2 TIP3 7691 27.252 45.132 9.841 1.00 0.00 WT2 O ATOM 34232 H1 TIP3 7691 28.154 45.407 9.675 1.00 0.00 WT2 H ATOM 34233 H2 TIP3 7691 26.885 45.829 10.386 1.00 0.00 WT2 H ATOM 34234 OH2 TIP3 7692 42.769 85.050 46.822 1.00 0.00 WT2 O ATOM 34235 H1 TIP3 7692 43.336 84.835 47.562 1.00 0.00 WT2 H ATOM 34236 H2 TIP3 7692 41.881 84.905 47.150 1.00 0.00 WT2 H ATOM 34237 OH2 TIP3 7694 33.731 41.738 58.475 1.00 0.00 WT2 O ATOM 34238 H1 TIP3 7694 33.063 42.304 58.087 1.00 0.00 WT2 H ATOM 34239 H2 TIP3 7694 34.094 41.252 57.734 1.00 0.00 WT2 H ATOM 34240 OH2 TIP3 7695 33.537 38.584 37.662 1.00 0.00 WT2 O ATOM 34241 H1 TIP3 7695 33.260 37.982 36.971 1.00 0.00 WT2 H ATOM 34242 H2 TIP3 7695 34.493 38.549 37.642 1.00 0.00 WT2 H ATOM 34243 OH2 TIP3 7696 73.086 56.287 43.416 1.00 0.00 WT2 O ATOM 34244 H1 TIP3 7696 73.888 56.023 43.866 1.00 0.00 WT2 H ATOM 34245 H2 TIP3 7696 73.246 56.076 42.496 1.00 0.00 WT2 H ATOM 34246 OH2 TIP3 7698 90.122 32.212 53.313 1.00 0.00 WT2 O ATOM 34247 H1 TIP3 7698 89.738 32.971 52.874 1.00 0.00 WT2 H ATOM 34248 H2 TIP3 7698 90.994 32.127 52.927 1.00 0.00 WT2 H ATOM 34249 OH2 TIP3 7705 84.119 1.113 45.863 1.00 0.00 WT2 O ATOM 34250 H1 TIP3 7705 84.203 1.881 46.427 1.00 0.00 WT2 H ATOM 34251 H2 TIP3 7705 83.821 1.463 45.023 1.00 0.00 WT2 H ATOM 34252 OH2 TIP3 7707 60.275 69.961 52.600 1.00 0.00 WT2 O ATOM 34253 H1 TIP3 7707 61.232 69.947 52.567 1.00 0.00 WT2 H ATOM 34254 H2 TIP3 7707 60.004 69.289 51.975 1.00 0.00 WT2 H ATOM 34255 OH2 TIP3 7708 34.155 59.232 27.193 1.00 0.00 WT2 O ATOM 34256 H1 TIP3 7708 34.122 59.442 26.259 1.00 0.00 WT2 H ATOM 34257 H2 TIP3 7708 34.718 59.908 27.571 1.00 0.00 WT2 H ATOM 34258 OH2 TIP3 7710 87.613 89.235 48.925 1.00 0.00 WT2 O ATOM 34259 H1 TIP3 7710 87.676 88.348 49.279 1.00 0.00 WT2 H ATOM 34260 H2 TIP3 7710 86.790 89.240 48.436 1.00 0.00 WT2 H ATOM 34261 OH2 TIP3 7711 87.944 50.259 54.498 1.00 0.00 WT2 O ATOM 34262 H1 TIP3 7711 87.728 50.477 53.591 1.00 0.00 WT2 H ATOM 34263 H2 TIP3 7711 88.074 51.106 54.924 1.00 0.00 WT2 H ATOM 34264 OH2 TIP3 7712 35.739 33.345 0.819 1.00 0.00 WT2 O ATOM 34265 H1 TIP3 7712 35.613 34.154 0.323 1.00 0.00 WT2 H ATOM 34266 H2 TIP3 7712 34.954 33.270 1.361 1.00 0.00 WT2 H ATOM 34267 OH2 TIP3 7713 73.472 28.219 57.317 1.00 0.00 WT2 O ATOM 34268 H1 TIP3 7713 72.898 27.916 56.614 1.00 0.00 WT2 H ATOM 34269 H2 TIP3 7713 74.220 27.623 57.290 1.00 0.00 WT2 H ATOM 34270 OH2 TIP3 7716 25.590 25.904 -14.696 1.00 0.00 WT2 O ATOM 34271 H1 TIP3 7716 25.890 26.809 -14.782 1.00 0.00 WT2 H ATOM 34272 H2 TIP3 7716 25.444 25.788 -13.757 1.00 0.00 WT2 H ATOM 34273 OH2 TIP3 7718 89.736 60.612 57.635 1.00 0.00 WT2 O ATOM 34274 H1 TIP3 7718 90.613 60.385 57.945 1.00 0.00 WT2 H ATOM 34275 H2 TIP3 7718 89.610 61.519 57.916 1.00 0.00 WT2 H ATOM 34276 OH2 TIP3 7730 37.123 3.057 -16.496 1.00 0.00 WT2 O ATOM 34277 H1 TIP3 7730 37.090 3.341 -17.410 1.00 0.00 WT2 H ATOM 34278 H2 TIP3 7730 36.212 3.091 -16.202 1.00 0.00 WT2 H ATOM 34279 OH2 TIP3 7731 64.156 44.568 43.747 1.00 0.00 WT2 O ATOM 34280 H1 TIP3 7731 64.769 45.251 43.477 1.00 0.00 WT2 H ATOM 34281 H2 TIP3 7731 63.375 44.723 43.216 1.00 0.00 WT2 H ATOM 34282 OH2 TIP3 7734 85.332 20.564 52.336 1.00 0.00 WT2 O ATOM 34283 H1 TIP3 7734 86.114 20.827 52.821 1.00 0.00 WT2 H ATOM 34284 H2 TIP3 7734 84.893 19.936 52.909 1.00 0.00 WT2 H ATOM 34285 OH2 TIP3 7735 58.411 2.630 27.519 1.00 0.00 WT2 O ATOM 34286 H1 TIP3 7735 57.884 2.321 28.255 1.00 0.00 WT2 H ATOM 34287 H2 TIP3 7735 58.299 1.960 26.845 1.00 0.00 WT2 H ATOM 34288 OH2 TIP3 7736 31.487 22.053 3.114 1.00 0.00 WT2 O ATOM 34289 H1 TIP3 7736 31.772 22.431 2.282 1.00 0.00 WT2 H ATOM 34290 H2 TIP3 7736 31.505 22.786 3.729 1.00 0.00 WT2 H ATOM 34291 OH2 TIP3 7737 80.706 40.951 46.188 1.00 0.00 WT2 O ATOM 34292 H1 TIP3 7737 79.840 40.743 45.836 1.00 0.00 WT2 H ATOM 34293 H2 TIP3 7737 80.610 41.829 46.557 1.00 0.00 WT2 H ATOM 34294 OH2 TIP3 7748 69.655 24.144 -12.284 1.00 0.00 WT2 O ATOM 34295 H1 TIP3 7748 69.286 24.265 -13.160 1.00 0.00 WT2 H ATOM 34296 H2 TIP3 7748 70.311 24.836 -12.203 1.00 0.00 WT2 H ATOM 34297 OH2 TIP3 7750 20.761 54.767 6.932 1.00 0.00 WT2 O ATOM 34298 H1 TIP3 7750 20.253 55.578 6.936 1.00 0.00 WT2 H ATOM 34299 H2 TIP3 7750 21.482 54.932 7.539 1.00 0.00 WT2 H ATOM 34300 OH2 TIP3 7751 36.023 73.309 18.650 1.00 0.00 WT2 O ATOM 34301 H1 TIP3 7751 36.323 72.407 18.537 1.00 0.00 WT2 H ATOM 34302 H2 TIP3 7751 36.817 73.837 18.574 1.00 0.00 WT2 H ATOM 34303 OH2 TIP3 7752 73.809 81.130 -7.378 1.00 0.00 WT2 O ATOM 34304 H1 TIP3 7752 74.064 82.040 -7.526 1.00 0.00 WT2 H ATOM 34305 H2 TIP3 7752 74.025 80.966 -6.460 1.00 0.00 WT2 H ATOM 34306 OH2 TIP3 7753 76.674 28.621 66.344 1.00 0.00 WT2 O ATOM 34307 H1 TIP3 7753 77.064 29.004 65.558 1.00 0.00 WT2 H ATOM 34308 H2 TIP3 7753 76.038 27.987 66.013 1.00 0.00 WT2 H ATOM 34309 OH2 TIP3 7754 89.878 49.196 -16.790 1.00 0.00 WT2 O ATOM 34310 H1 TIP3 7754 90.729 49.376 -17.190 1.00 0.00 WT2 H ATOM 34311 H2 TIP3 7754 90.088 48.805 -15.942 1.00 0.00 WT2 H ATOM 34312 OH2 TIP3 7755 56.838 18.603 64.870 1.00 0.00 WT2 O ATOM 34313 H1 TIP3 7755 56.550 19.503 65.021 1.00 0.00 WT2 H ATOM 34314 H2 TIP3 7755 57.059 18.574 63.939 1.00 0.00 WT2 H ATOM 34315 OH2 TIP3 7757 68.164 20.859 11.198 1.00 0.00 WT2 O ATOM 34316 H1 TIP3 7757 67.698 21.691 11.283 1.00 0.00 WT2 H ATOM 34317 H2 TIP3 7757 68.367 20.605 12.099 1.00 0.00 WT2 H ATOM 34318 OH2 TIP3 7772 41.720 49.970 66.429 1.00 0.00 WT2 O ATOM 34319 H1 TIP3 7772 40.855 50.372 66.344 1.00 0.00 WT2 H ATOM 34320 H2 TIP3 7772 41.760 49.675 67.338 1.00 0.00 WT2 H ATOM 34321 OH2 TIP3 7773 72.971 10.050 4.964 1.00 0.00 WT2 O ATOM 34322 H1 TIP3 7773 72.076 10.165 5.281 1.00 0.00 WT2 H ATOM 34323 H2 TIP3 7773 73.147 9.115 5.074 1.00 0.00 WT2 H ATOM 34324 OH2 TIP3 7774 26.146 50.050 -14.340 1.00 0.00 WT2 O ATOM 34325 H1 TIP3 7774 27.051 50.284 -14.547 1.00 0.00 WT2 H ATOM 34326 H2 TIP3 7774 25.668 50.879 -14.384 1.00 0.00 WT2 H ATOM 34327 OH2 TIP3 7776 75.387 75.540 -15.009 1.00 0.00 WT2 O ATOM 34328 H1 TIP3 7776 74.521 75.668 -14.620 1.00 0.00 WT2 H ATOM 34329 H2 TIP3 7776 75.865 76.342 -14.799 1.00 0.00 WT2 H ATOM 34330 OH2 TIP3 7780 72.813 35.814 63.113 1.00 0.00 WT2 O ATOM 34331 H1 TIP3 7780 72.251 36.468 62.696 1.00 0.00 WT2 H ATOM 34332 H2 TIP3 7780 73.431 35.557 62.429 1.00 0.00 WT2 H ATOM 34333 OH2 TIP3 7791 29.035 89.973 13.481 1.00 0.00 WT2 O ATOM 34334 H1 TIP3 7791 29.758 90.567 13.283 1.00 0.00 WT2 H ATOM 34335 H2 TIP3 7791 28.547 90.412 14.178 1.00 0.00 WT2 H ATOM 34336 OH2 TIP3 7793 70.288 65.387 47.549 1.00 0.00 WT2 O ATOM 34337 H1 TIP3 7793 69.776 64.797 46.996 1.00 0.00 WT2 H ATOM 34338 H2 TIP3 7793 70.157 66.253 47.162 1.00 0.00 WT2 H ATOM 34339 OH2 TIP3 7795 79.601 70.012 31.715 1.00 0.00 WT2 O ATOM 34340 H1 TIP3 7795 80.353 69.420 31.725 1.00 0.00 WT2 H ATOM 34341 H2 TIP3 7795 78.949 69.565 31.175 1.00 0.00 WT2 H ATOM 34342 OH2 TIP3 7796 59.700 69.042 32.798 1.00 0.00 WT2 O ATOM 34343 H1 TIP3 7796 59.456 68.796 31.906 1.00 0.00 WT2 H ATOM 34344 H2 TIP3 7796 58.965 68.750 33.337 1.00 0.00 WT2 H ATOM 34345 OH2 TIP3 7797 86.608 9.538 -11.839 1.00 0.00 WT2 O ATOM 34346 H1 TIP3 7797 86.039 8.859 -12.202 1.00 0.00 WT2 H ATOM 34347 H2 TIP3 7797 87.158 9.076 -11.206 1.00 0.00 WT2 H ATOM 34348 OH2 TIP3 7798 38.380 41.550 60.649 1.00 0.00 WT2 O ATOM 34349 H1 TIP3 7798 38.012 40.686 60.831 1.00 0.00 WT2 H ATOM 34350 H2 TIP3 7798 39.218 41.369 60.223 1.00 0.00 WT2 H ATOM 34351 OH2 TIP3 7799 49.669 48.727 66.832 1.00 0.00 WT2 O ATOM 34352 H1 TIP3 7799 49.114 49.504 66.900 1.00 0.00 WT2 H ATOM 34353 H2 TIP3 7799 49.053 47.994 66.807 1.00 0.00 WT2 H ATOM 34354 OH2 TIP3 7806 59.209 10.145 36.023 1.00 0.00 WT2 O ATOM 34355 H1 TIP3 7806 58.467 10.739 36.136 1.00 0.00 WT2 H ATOM 34356 H2 TIP3 7806 59.494 10.286 35.120 1.00 0.00 WT2 H ATOM 34357 OH2 TIP3 7811 55.736 81.488 38.830 1.00 0.00 WT2 O ATOM 34358 H1 TIP3 7811 54.801 81.502 38.626 1.00 0.00 WT2 H ATOM 34359 H2 TIP3 7811 56.127 80.964 38.132 1.00 0.00 WT2 H ATOM 34360 OH2 TIP3 7813 35.504 40.498 -18.344 1.00 0.00 WT2 O ATOM 34361 H1 TIP3 7813 36.144 41.209 -18.331 1.00 0.00 WT2 H ATOM 34362 H2 TIP3 7813 35.916 39.794 -17.844 1.00 0.00 WT2 H ATOM 34363 OH2 TIP3 7815 89.287 40.368 46.558 1.00 0.00 WT2 O ATOM 34364 H1 TIP3 7815 88.823 41.021 46.034 1.00 0.00 WT2 H ATOM 34365 H2 TIP3 7815 89.325 40.747 47.436 1.00 0.00 WT2 H ATOM 34366 OH2 TIP3 7816 60.618 87.453 32.067 1.00 0.00 WT2 O ATOM 34367 H1 TIP3 7816 61.380 86.876 32.007 1.00 0.00 WT2 H ATOM 34368 H2 TIP3 7816 60.888 88.254 31.618 1.00 0.00 WT2 H ATOM 34369 OH2 TIP3 7817 60.514 76.696 60.690 1.00 0.00 WT2 O ATOM 34370 H1 TIP3 7817 61.192 76.450 61.319 1.00 0.00 WT2 H ATOM 34371 H2 TIP3 7817 60.780 76.273 59.873 1.00 0.00 WT2 H ATOM 34372 OH2 TIP3 7818 20.305 88.570 43.785 1.00 0.00 WT2 O ATOM 34373 H1 TIP3 7818 20.125 88.102 42.970 1.00 0.00 WT2 H ATOM 34374 H2 TIP3 7818 21.054 88.112 44.165 1.00 0.00 WT2 H ATOM 34375 OH2 TIP3 7820 70.732 8.186 37.388 1.00 0.00 WT2 O ATOM 34376 H1 TIP3 7820 70.821 7.324 36.981 1.00 0.00 WT2 H ATOM 34377 H2 TIP3 7820 71.614 8.557 37.359 1.00 0.00 WT2 H ATOM 34378 OH2 TIP3 7833 28.343 56.577 -18.078 1.00 0.00 WT2 O ATOM 34379 H1 TIP3 7833 28.138 56.777 -17.165 1.00 0.00 WT2 H ATOM 34380 H2 TIP3 7833 27.578 56.881 -18.568 1.00 0.00 WT2 H ATOM 34381 OH2 TIP3 7835 66.991 89.223 22.299 1.00 0.00 WT2 O ATOM 34382 H1 TIP3 7835 67.577 89.967 22.163 1.00 0.00 WT2 H ATOM 34383 H2 TIP3 7835 66.159 89.500 21.914 1.00 0.00 WT2 H ATOM 34384 OH2 TIP3 7836 70.738 51.567 28.769 1.00 0.00 WT2 O ATOM 34385 H1 TIP3 7836 70.313 51.159 29.523 1.00 0.00 WT2 H ATOM 34386 H2 TIP3 7836 70.016 51.898 28.235 1.00 0.00 WT2 H ATOM 34387 OH2 TIP3 7837 55.387 63.768 64.396 1.00 0.00 WT2 O ATOM 34388 H1 TIP3 7837 54.698 63.105 64.386 1.00 0.00 WT2 H ATOM 34389 H2 TIP3 7837 54.991 64.520 64.837 1.00 0.00 WT2 H ATOM 34390 OH2 TIP3 7838 81.821 46.794 57.710 1.00 0.00 WT2 O ATOM 34391 H1 TIP3 7838 82.075 47.284 58.491 1.00 0.00 WT2 H ATOM 34392 H2 TIP3 7838 80.871 46.895 57.660 1.00 0.00 WT2 H ATOM 34393 OH2 TIP3 7839 72.453 53.884 -7.992 1.00 0.00 WT2 O ATOM 34394 H1 TIP3 7839 72.489 54.275 -7.119 1.00 0.00 WT2 H ATOM 34395 H2 TIP3 7839 72.601 52.950 -7.844 1.00 0.00 WT2 H ATOM 34396 OH2 TIP3 7840 35.282 5.434 33.460 1.00 0.00 WT2 O ATOM 34397 H1 TIP3 7840 35.911 4.981 32.898 1.00 0.00 WT2 H ATOM 34398 H2 TIP3 7840 34.432 5.267 33.052 1.00 0.00 WT2 H ATOM 34399 OH2 TIP3 7842 76.900 51.018 -18.241 1.00 0.00 WT2 O ATOM 34400 H1 TIP3 7842 77.109 51.005 -17.307 1.00 0.00 WT2 H ATOM 34401 H2 TIP3 7842 75.944 50.983 -18.273 1.00 0.00 WT2 H ATOM 34402 OH2 TIP3 7853 19.988 8.682 65.175 1.00 0.00 WT2 O ATOM 34403 H1 TIP3 7853 20.683 8.284 64.651 1.00 0.00 WT2 H ATOM 34404 H2 TIP3 7853 20.449 9.244 65.798 1.00 0.00 WT2 H ATOM 34405 OH2 TIP3 7854 22.737 26.976 2.234 1.00 0.00 WT2 O ATOM 34406 H1 TIP3 7854 22.278 27.121 3.061 1.00 0.00 WT2 H ATOM 34407 H2 TIP3 7854 23.159 27.814 2.043 1.00 0.00 WT2 H ATOM 34408 OH2 TIP3 7856 72.711 61.487 41.009 1.00 0.00 WT2 O ATOM 34409 H1 TIP3 7856 73.555 61.044 40.919 1.00 0.00 WT2 H ATOM 34410 H2 TIP3 7856 72.320 61.103 41.793 1.00 0.00 WT2 H ATOM 34411 OH2 TIP3 7858 40.471 71.723 55.193 1.00 0.00 WT2 O ATOM 34412 H1 TIP3 7858 40.402 72.603 54.823 1.00 0.00 WT2 H ATOM 34413 H2 TIP3 7858 41.305 71.389 54.863 1.00 0.00 WT2 H ATOM 34414 OH2 TIP3 7859 33.757 43.635 52.811 1.00 0.00 WT2 O ATOM 34415 H1 TIP3 7859 34.326 43.843 53.552 1.00 0.00 WT2 H ATOM 34416 H2 TIP3 7859 34.346 43.611 52.057 1.00 0.00 WT2 H ATOM 34417 OH2 TIP3 7861 78.095 49.906 62.766 1.00 0.00 WT2 O ATOM 34418 H1 TIP3 7861 78.036 49.538 61.884 1.00 0.00 WT2 H ATOM 34419 H2 TIP3 7861 77.201 50.178 62.972 1.00 0.00 WT2 H ATOM 34420 OH2 TIP3 7864 46.448 1.296 20.101 1.00 0.00 WT2 O ATOM 34421 H1 TIP3 7864 45.699 0.852 19.702 1.00 0.00 WT2 H ATOM 34422 H2 TIP3 7864 46.060 2.004 20.617 1.00 0.00 WT2 H ATOM 34423 OH2 TIP3 7865 78.223 5.743 57.787 1.00 0.00 WT2 O ATOM 34424 H1 TIP3 7865 78.862 6.384 57.473 1.00 0.00 WT2 H ATOM 34425 H2 TIP3 7865 78.455 5.603 58.705 1.00 0.00 WT2 H ATOM 34426 OH2 TIP3 7872 86.531 69.036 59.872 1.00 0.00 WT2 O ATOM 34427 H1 TIP3 7872 86.795 69.797 59.355 1.00 0.00 WT2 H ATOM 34428 H2 TIP3 7872 85.592 68.949 59.710 1.00 0.00 WT2 H ATOM 34429 OH2 TIP3 7875 45.178 64.555 57.437 1.00 0.00 WT2 O ATOM 34430 H1 TIP3 7875 45.602 64.652 58.290 1.00 0.00 WT2 H ATOM 34431 H2 TIP3 7875 44.729 65.388 57.295 1.00 0.00 WT2 H ATOM 34432 OH2 TIP3 7878 29.881 95.961 46.292 1.00 0.00 WT2 O ATOM 34433 H1 TIP3 7878 29.853 96.885 46.543 1.00 0.00 WT2 H ATOM 34434 H2 TIP3 7878 30.812 95.774 46.173 1.00 0.00 WT2 H ATOM 34435 OH2 TIP3 7880 72.697 83.005 42.104 1.00 0.00 WT2 O ATOM 34436 H1 TIP3 7880 73.132 82.450 42.751 1.00 0.00 WT2 H ATOM 34437 H2 TIP3 7880 72.735 83.885 42.479 1.00 0.00 WT2 H ATOM 34438 OH2 TIP3 7882 71.104 36.274 58.201 1.00 0.00 WT2 O ATOM 34439 H1 TIP3 7882 70.627 37.067 57.959 1.00 0.00 WT2 H ATOM 34440 H2 TIP3 7882 72.021 36.546 58.234 1.00 0.00 WT2 H ATOM 34441 OH2 TIP3 7884 62.368 59.028 -19.803 1.00 0.00 WT2 O ATOM 34442 H1 TIP3 7884 62.037 59.170 -18.916 1.00 0.00 WT2 H ATOM 34443 H2 TIP3 7884 62.091 59.804 -20.290 1.00 0.00 WT2 H ATOM 34444 OH2 TIP3 7895 41.379 68.929 15.550 1.00 0.00 WT2 O ATOM 34445 H1 TIP3 7895 41.507 68.697 16.470 1.00 0.00 WT2 H ATOM 34446 H2 TIP3 7895 40.756 68.281 15.223 1.00 0.00 WT2 H ATOM 34447 OH2 TIP3 7899 61.875 46.911 -17.533 1.00 0.00 WT2 O ATOM 34448 H1 TIP3 7899 62.048 47.447 -16.759 1.00 0.00 WT2 H ATOM 34449 H2 TIP3 7899 61.447 47.507 -18.147 1.00 0.00 WT2 H ATOM 34450 OH2 TIP3 7900 60.800 19.967 67.121 1.00 0.00 WT2 O ATOM 34451 H1 TIP3 7900 60.410 19.386 66.469 1.00 0.00 WT2 H ATOM 34452 H2 TIP3 7900 61.128 19.378 67.801 1.00 0.00 WT2 H ATOM 34453 OH2 TIP3 7905 66.417 52.576 -12.901 1.00 0.00 WT2 O ATOM 34454 H1 TIP3 7905 66.548 52.010 -12.140 1.00 0.00 WT2 H ATOM 34455 H2 TIP3 7905 66.320 53.454 -12.534 1.00 0.00 WT2 H ATOM 34456 OH2 TIP3 7919 75.324 78.700 47.137 1.00 0.00 WT2 O ATOM 34457 H1 TIP3 7919 75.616 78.003 46.550 1.00 0.00 WT2 H ATOM 34458 H2 TIP3 7919 76.130 79.038 47.528 1.00 0.00 WT2 H ATOM 34459 OH2 TIP3 7920 39.818 41.784 15.082 1.00 0.00 WT2 O ATOM 34460 H1 TIP3 7920 40.404 41.889 15.832 1.00 0.00 WT2 H ATOM 34461 H2 TIP3 7920 39.997 42.545 14.530 1.00 0.00 WT2 H ATOM 34462 OH2 TIP3 7921 68.154 25.700 57.257 1.00 0.00 WT2 O ATOM 34463 H1 TIP3 7921 68.133 24.940 56.675 1.00 0.00 WT2 H ATOM 34464 H2 TIP3 7921 68.209 25.327 58.137 1.00 0.00 WT2 H ATOM 34465 OH2 TIP3 7922 23.970 88.632 30.852 1.00 0.00 WT2 O ATOM 34466 H1 TIP3 7922 24.522 88.491 31.621 1.00 0.00 WT2 H ATOM 34467 H2 TIP3 7922 24.043 87.820 30.352 1.00 0.00 WT2 H ATOM 34468 OH2 TIP3 7933 25.863 57.333 43.057 1.00 0.00 WT2 O ATOM 34469 H1 TIP3 7933 25.423 56.539 42.752 1.00 0.00 WT2 H ATOM 34470 H2 TIP3 7933 25.879 57.907 42.291 1.00 0.00 WT2 H ATOM 34471 OH2 TIP3 7938 74.110 57.716 4.577 1.00 0.00 WT2 O ATOM 34472 H1 TIP3 7938 73.787 56.815 4.561 1.00 0.00 WT2 H ATOM 34473 H2 TIP3 7938 74.429 57.840 5.471 1.00 0.00 WT2 H ATOM 34474 OH2 TIP3 7939 59.124 0.402 38.564 1.00 0.00 WT2 O ATOM 34475 H1 TIP3 7939 59.469 1.108 38.018 1.00 0.00 WT2 H ATOM 34476 H2 TIP3 7939 58.848 -0.271 37.941 1.00 0.00 WT2 H ATOM 34477 OH2 TIP3 7940 74.145 59.711 63.558 1.00 0.00 WT2 O ATOM 34478 H1 TIP3 7940 74.085 59.637 62.606 1.00 0.00 WT2 H ATOM 34479 H2 TIP3 7940 73.549 59.040 63.889 1.00 0.00 WT2 H ATOM 34480 OH2 TIP3 7941 69.966 9.272 -7.178 1.00 0.00 WT2 O ATOM 34481 H1 TIP3 7941 70.435 9.644 -7.925 1.00 0.00 WT2 H ATOM 34482 H2 TIP3 7941 69.307 9.930 -6.958 1.00 0.00 WT2 H ATOM 34483 OH2 TIP3 7942 86.037 67.030 20.102 1.00 0.00 WT2 O ATOM 34484 H1 TIP3 7942 85.779 66.121 20.254 1.00 0.00 WT2 H ATOM 34485 H2 TIP3 7942 85.890 67.169 19.167 1.00 0.00 WT2 H ATOM 34486 OH2 TIP3 7944 37.295 23.384 7.875 1.00 0.00 WT2 O ATOM 34487 H1 TIP3 7944 36.447 23.428 8.318 1.00 0.00 WT2 H ATOM 34488 H2 TIP3 7944 37.330 24.179 7.344 1.00 0.00 WT2 H ATOM 34489 OH2 TIP3 7946 89.125 25.689 41.248 1.00 0.00 WT2 O ATOM 34490 H1 TIP3 7946 89.671 26.188 41.855 1.00 0.00 WT2 H ATOM 34491 H2 TIP3 7946 88.233 25.810 41.573 1.00 0.00 WT2 H ATOM 34492 OH2 TIP3 7947 31.713 20.685 38.352 1.00 0.00 WT2 O ATOM 34493 H1 TIP3 7947 31.121 21.314 37.937 1.00 0.00 WT2 H ATOM 34494 H2 TIP3 7947 31.218 19.866 38.371 1.00 0.00 WT2 H ATOM 34495 OH2 TIP3 7949 54.913 18.815 6.929 1.00 0.00 WT2 O ATOM 34496 H1 TIP3 7949 54.946 17.914 7.250 1.00 0.00 WT2 H ATOM 34497 H2 TIP3 7949 55.664 18.888 6.341 1.00 0.00 WT2 H ATOM 34498 OH2 TIP3 7959 38.633 59.854 65.144 1.00 0.00 WT2 O ATOM 34499 H1 TIP3 7959 38.345 59.221 65.802 1.00 0.00 WT2 H ATOM 34500 H2 TIP3 7959 39.586 59.877 65.235 1.00 0.00 WT2 H ATOM 34501 OH2 TIP3 7962 32.914 67.526 23.597 1.00 0.00 WT2 O ATOM 34502 H1 TIP3 7962 33.810 67.197 23.524 1.00 0.00 WT2 H ATOM 34503 H2 TIP3 7962 32.389 66.907 23.089 1.00 0.00 WT2 H ATOM 34504 OH2 TIP3 7963 46.490 13.982 54.967 1.00 0.00 WT2 O ATOM 34505 H1 TIP3 7963 46.726 13.423 54.227 1.00 0.00 WT2 H ATOM 34506 H2 TIP3 7963 47.131 13.767 55.644 1.00 0.00 WT2 H ATOM 34507 OH2 TIP3 7964 58.655 20.351 -12.478 1.00 0.00 WT2 O ATOM 34508 H1 TIP3 7964 58.823 21.203 -12.880 1.00 0.00 WT2 H ATOM 34509 H2 TIP3 7964 59.525 19.992 -12.302 1.00 0.00 WT2 H ATOM 34510 OH2 TIP3 7965 84.363 23.507 2.230 1.00 0.00 WT2 O ATOM 34511 H1 TIP3 7965 83.793 24.211 1.920 1.00 0.00 WT2 H ATOM 34512 H2 TIP3 7965 85.243 23.882 2.203 1.00 0.00 WT2 H ATOM 34513 OH2 TIP3 7967 65.790 10.550 -14.484 1.00 0.00 WT2 O ATOM 34514 H1 TIP3 7967 65.967 9.896 -13.808 1.00 0.00 WT2 H ATOM 34515 H2 TIP3 7967 66.334 11.300 -14.242 1.00 0.00 WT2 H ATOM 34516 OH2 TIP3 7969 75.297 22.608 47.847 1.00 0.00 WT2 O ATOM 34517 H1 TIP3 7969 74.699 21.862 47.804 1.00 0.00 WT2 H ATOM 34518 H2 TIP3 7969 74.775 23.351 47.543 1.00 0.00 WT2 H ATOM 34519 OH2 TIP3 7972 60.403 81.458 -7.894 1.00 0.00 WT2 O ATOM 34520 H1 TIP3 7972 61.336 81.335 -7.720 1.00 0.00 WT2 H ATOM 34521 H2 TIP3 7972 59.963 80.892 -7.259 1.00 0.00 WT2 H ATOM 34522 OH2 TIP3 7979 42.366 50.622 16.727 1.00 0.00 WT2 O ATOM 34523 H1 TIP3 7979 42.613 51.545 16.673 1.00 0.00 WT2 H ATOM 34524 H2 TIP3 7979 42.316 50.442 17.666 1.00 0.00 WT2 H ATOM 34525 OH2 TIP3 7981 65.526 3.217 57.851 1.00 0.00 WT2 O ATOM 34526 H1 TIP3 7981 65.952 4.047 58.063 1.00 0.00 WT2 H ATOM 34527 H2 TIP3 7981 66.093 2.818 57.191 1.00 0.00 WT2 H ATOM 34528 OH2 TIP3 7983 38.436 26.372 44.256 1.00 0.00 WT2 O ATOM 34529 H1 TIP3 7983 37.579 26.016 44.489 1.00 0.00 WT2 H ATOM 34530 H2 TIP3 7983 38.374 26.551 43.318 1.00 0.00 WT2 H ATOM 34531 OH2 TIP3 7984 22.435 62.847 11.959 1.00 0.00 WT2 O ATOM 34532 H1 TIP3 7984 23.164 63.365 12.301 1.00 0.00 WT2 H ATOM 34533 H2 TIP3 7984 21.854 63.490 11.552 1.00 0.00 WT2 H ATOM 34534 OH2 TIP3 7985 76.372 87.301 37.615 1.00 0.00 WT2 O ATOM 34535 H1 TIP3 7985 76.728 88.085 37.196 1.00 0.00 WT2 H ATOM 34536 H2 TIP3 7985 75.435 87.477 37.697 1.00 0.00 WT2 H ATOM 34537 OH2 TIP3 7986 24.339 95.719 -17.596 1.00 0.00 WT2 O ATOM 34538 H1 TIP3 7986 24.188 94.971 -18.174 1.00 0.00 WT2 H ATOM 34539 H2 TIP3 7986 23.841 95.515 -16.805 1.00 0.00 WT2 H ATOM 34540 OH2 TIP3 7987 80.903 83.577 -4.593 1.00 0.00 WT2 O ATOM 34541 H1 TIP3 7987 81.815 83.326 -4.742 1.00 0.00 WT2 H ATOM 34542 H2 TIP3 7987 80.405 83.058 -5.225 1.00 0.00 WT2 H ATOM 34543 OH2 TIP3 8003 90.528 46.409 42.849 1.00 0.00 WT2 O ATOM 34544 H1 TIP3 8003 89.879 47.078 42.633 1.00 0.00 WT2 H ATOM 34545 H2 TIP3 8003 90.016 45.686 43.212 1.00 0.00 WT2 H ATOM 34546 OH2 TIP3 8004 88.635 73.062 -3.830 1.00 0.00 WT2 O ATOM 34547 H1 TIP3 8004 88.774 72.426 -3.128 1.00 0.00 WT2 H ATOM 34548 H2 TIP3 8004 89.462 73.072 -4.311 1.00 0.00 WT2 H ATOM 34549 OH2 TIP3 8005 65.197 21.347 8.124 1.00 0.00 WT2 O ATOM 34550 H1 TIP3 8005 65.483 22.160 7.708 1.00 0.00 WT2 H ATOM 34551 H2 TIP3 8005 65.508 21.417 9.026 1.00 0.00 WT2 H ATOM 34552 OH2 TIP3 8007 82.699 59.428 -11.606 1.00 0.00 WT2 O ATOM 34553 H1 TIP3 8007 82.294 58.669 -11.184 1.00 0.00 WT2 H ATOM 34554 H2 TIP3 8007 82.030 60.111 -11.562 1.00 0.00 WT2 H ATOM 34555 OH2 TIP3 8012 43.070 44.649 14.723 1.00 0.00 WT2 O ATOM 34556 H1 TIP3 8012 43.718 45.128 15.240 1.00 0.00 WT2 H ATOM 34557 H2 TIP3 8012 42.441 44.325 15.367 1.00 0.00 WT2 H ATOM 34558 OH2 TIP3 8020 41.588 73.439 12.871 1.00 0.00 WT2 O ATOM 34559 H1 TIP3 8020 41.103 73.583 13.683 1.00 0.00 WT2 H ATOM 34560 H2 TIP3 8020 41.679 72.488 12.812 1.00 0.00 WT2 H ATOM 34561 OH2 TIP3 8022 89.852 4.222 50.864 1.00 0.00 WT2 O ATOM 34562 H1 TIP3 8022 89.723 3.452 50.311 1.00 0.00 WT2 H ATOM 34563 H2 TIP3 8022 90.767 4.467 50.726 1.00 0.00 WT2 H ATOM 34564 OH2 TIP3 8023 62.195 12.078 59.484 1.00 0.00 WT2 O ATOM 34565 H1 TIP3 8023 63.114 12.334 59.561 1.00 0.00 WT2 H ATOM 34566 H2 TIP3 8023 61.935 11.843 60.374 1.00 0.00 WT2 H ATOM 34567 OH2 TIP3 8024 79.877 65.443 31.153 1.00 0.00 WT2 O ATOM 34568 H1 TIP3 8024 79.094 64.903 31.051 1.00 0.00 WT2 H ATOM 34569 H2 TIP3 8024 79.692 66.233 30.646 1.00 0.00 WT2 H ATOM 34570 OH2 TIP3 8027 29.889 56.123 14.117 1.00 0.00 WT2 O ATOM 34571 H1 TIP3 8027 29.962 55.527 14.862 1.00 0.00 WT2 H ATOM 34572 H2 TIP3 8027 30.256 55.633 13.381 1.00 0.00 WT2 H ATOM 34573 OH2 TIP3 8029 20.872 67.516 40.046 1.00 0.00 WT2 O ATOM 34574 H1 TIP3 8029 21.779 67.275 40.231 1.00 0.00 WT2 H ATOM 34575 H2 TIP3 8029 20.889 67.843 39.146 1.00 0.00 WT2 H ATOM 34576 OH2 TIP3 8030 40.605 16.350 12.150 1.00 0.00 WT2 O ATOM 34577 H1 TIP3 8030 40.495 15.432 11.905 1.00 0.00 WT2 H ATOM 34578 H2 TIP3 8030 41.547 16.453 12.283 1.00 0.00 WT2 H ATOM 34579 OH2 TIP3 8040 61.634 40.394 42.133 1.00 0.00 WT2 O ATOM 34580 H1 TIP3 8040 62.026 40.856 41.392 1.00 0.00 WT2 H ATOM 34581 H2 TIP3 8040 62.341 39.845 42.474 1.00 0.00 WT2 H ATOM 34582 OH2 TIP3 8041 38.813 11.852 44.309 1.00 0.00 WT2 O ATOM 34583 H1 TIP3 8041 39.043 11.462 45.153 1.00 0.00 WT2 H ATOM 34584 H2 TIP3 8041 39.277 11.318 43.664 1.00 0.00 WT2 H ATOM 34585 OH2 TIP3 8045 31.179 67.559 44.002 1.00 0.00 WT2 O ATOM 34586 H1 TIP3 8045 30.657 67.229 43.271 1.00 0.00 WT2 H ATOM 34587 H2 TIP3 8045 31.845 68.111 43.591 1.00 0.00 WT2 H ATOM 34588 OH2 TIP3 8046 21.940 1.563 33.290 1.00 0.00 WT2 O ATOM 34589 H1 TIP3 8046 21.520 1.375 34.129 1.00 0.00 WT2 H ATOM 34590 H2 TIP3 8046 22.872 1.415 33.450 1.00 0.00 WT2 H ATOM 34591 OH2 TIP3 8047 79.083 45.948 46.901 1.00 0.00 WT2 O ATOM 34592 H1 TIP3 8047 79.361 45.952 47.817 1.00 0.00 WT2 H ATOM 34593 H2 TIP3 8047 78.132 46.051 46.938 1.00 0.00 WT2 H ATOM 34594 OH2 TIP3 8050 23.475 66.271 45.198 1.00 0.00 WT2 O ATOM 34595 H1 TIP3 8050 22.955 66.091 45.982 1.00 0.00 WT2 H ATOM 34596 H2 TIP3 8050 23.959 67.069 45.410 1.00 0.00 WT2 H ATOM 34597 OH2 TIP3 8052 66.164 96.879 10.886 1.00 0.00 WT2 O ATOM 34598 H1 TIP3 8052 65.621 96.103 10.749 1.00 0.00 WT2 H ATOM 34599 H2 TIP3 8052 66.917 96.751 10.309 1.00 0.00 WT2 H ATOM 34600 OH2 TIP3 8063 44.797 77.575 -9.341 1.00 0.00 WT2 O ATOM 34601 H1 TIP3 8063 44.395 78.209 -9.935 1.00 0.00 WT2 H ATOM 34602 H2 TIP3 8063 45.675 77.436 -9.696 1.00 0.00 WT2 H ATOM 34603 OH2 TIP3 8064 82.961 24.123 37.923 1.00 0.00 WT2 O ATOM 34604 H1 TIP3 8064 83.818 23.711 38.030 1.00 0.00 WT2 H ATOM 34605 H2 TIP3 8064 82.516 23.970 38.757 1.00 0.00 WT2 H ATOM 34606 OH2 TIP3 8067 46.173 43.695 1.719 1.00 0.00 WT2 O ATOM 34607 H1 TIP3 8067 46.306 42.915 2.258 1.00 0.00 WT2 H ATOM 34608 H2 TIP3 8067 45.244 43.670 1.487 1.00 0.00 WT2 H ATOM 34609 OH2 TIP3 8068 66.279 23.817 -8.988 1.00 0.00 WT2 O ATOM 34610 H1 TIP3 8068 65.663 23.471 -9.634 1.00 0.00 WT2 H ATOM 34611 H2 TIP3 8068 66.498 23.064 -8.439 1.00 0.00 WT2 H ATOM 34612 OH2 TIP3 8069 66.065 14.026 43.951 1.00 0.00 WT2 O ATOM 34613 H1 TIP3 8069 65.867 14.178 44.875 1.00 0.00 WT2 H ATOM 34614 H2 TIP3 8069 65.209 13.912 43.538 1.00 0.00 WT2 H ATOM 34615 OH2 TIP3 8070 81.865 18.163 48.208 1.00 0.00 WT2 O ATOM 34616 H1 TIP3 8070 81.533 18.929 47.739 1.00 0.00 WT2 H ATOM 34617 H2 TIP3 8070 82.504 17.774 47.610 1.00 0.00 WT2 H ATOM 34618 OH2 TIP3 8071 25.389 65.292 -13.257 1.00 0.00 WT2 O ATOM 34619 H1 TIP3 8071 24.809 64.845 -13.872 1.00 0.00 WT2 H ATOM 34620 H2 TIP3 8071 25.967 65.818 -13.811 1.00 0.00 WT2 H ATOM 34621 OH2 TIP3 8075 68.815 39.821 52.445 1.00 0.00 WT2 O ATOM 34622 H1 TIP3 8075 67.949 39.502 52.697 1.00 0.00 WT2 H ATOM 34623 H2 TIP3 8075 68.964 39.450 51.575 1.00 0.00 WT2 H ATOM 34624 OH2 TIP3 8084 45.490 80.551 -6.616 1.00 0.00 WT2 O ATOM 34625 H1 TIP3 8084 45.237 81.098 -5.872 1.00 0.00 WT2 H ATOM 34626 H2 TIP3 8084 46.447 80.574 -6.615 1.00 0.00 WT2 H ATOM 34627 OH2 TIP3 8085 58.053 25.797 21.389 1.00 0.00 WT2 O ATOM 34628 H1 TIP3 8085 57.888 26.293 22.191 1.00 0.00 WT2 H ATOM 34629 H2 TIP3 8085 58.496 26.416 20.810 1.00 0.00 WT2 H ATOM 34630 OH2 TIP3 8087 61.043 92.733 30.558 1.00 0.00 WT2 O ATOM 34631 H1 TIP3 8087 61.163 91.801 30.376 1.00 0.00 WT2 H ATOM 34632 H2 TIP3 8087 60.521 92.755 31.360 1.00 0.00 WT2 H ATOM 34633 OH2 TIP3 8088 22.727 68.720 9.768 1.00 0.00 WT2 O ATOM 34634 H1 TIP3 8088 23.081 69.405 10.335 1.00 0.00 WT2 H ATOM 34635 H2 TIP3 8088 23.305 68.718 9.005 1.00 0.00 WT2 H ATOM 34636 OH2 TIP3 8089 47.740 14.100 19.294 1.00 0.00 WT2 O ATOM 34637 H1 TIP3 8089 46.975 13.718 18.864 1.00 0.00 WT2 H ATOM 34638 H2 TIP3 8089 47.616 15.046 19.206 1.00 0.00 WT2 H ATOM 34639 OH2 TIP3 8091 44.979 49.560 61.110 1.00 0.00 WT2 O ATOM 34640 H1 TIP3 8091 44.227 50.134 61.259 1.00 0.00 WT2 H ATOM 34641 H2 TIP3 8091 45.576 49.755 61.833 1.00 0.00 WT2 H ATOM 34642 OH2 TIP3 8092 66.518 6.453 -6.623 1.00 0.00 WT2 O ATOM 34643 H1 TIP3 8092 66.637 7.396 -6.730 1.00 0.00 WT2 H ATOM 34644 H2 TIP3 8092 65.988 6.366 -5.831 1.00 0.00 WT2 H ATOM 34645 OH2 TIP3 8093 63.895 32.277 25.455 1.00 0.00 WT2 O ATOM 34646 H1 TIP3 8093 63.692 32.626 24.587 1.00 0.00 WT2 H ATOM 34647 H2 TIP3 8093 64.673 31.735 25.320 1.00 0.00 WT2 H ATOM 34648 OH2 TIP3 8095 69.507 35.515 27.684 1.00 0.00 WT2 O ATOM 34649 H1 TIP3 8095 69.135 36.379 27.505 1.00 0.00 WT2 H ATOM 34650 H2 TIP3 8095 70.295 35.477 27.142 1.00 0.00 WT2 H ATOM 34651 OH2 TIP3 8096 33.765 62.024 -2.624 1.00 0.00 WT2 O ATOM 34652 H1 TIP3 8096 34.483 61.514 -2.248 1.00 0.00 WT2 H ATOM 34653 H2 TIP3 8096 32.974 61.645 -2.240 1.00 0.00 WT2 H ATOM 34654 OH2 TIP3 8104 58.706 35.293 26.510 1.00 0.00 WT2 O ATOM 34655 H1 TIP3 8104 59.496 35.391 25.979 1.00 0.00 WT2 H ATOM 34656 H2 TIP3 8104 57.985 35.463 25.903 1.00 0.00 WT2 H ATOM 34657 OH2 TIP3 8106 79.420 66.258 14.492 1.00 0.00 WT2 O ATOM 34658 H1 TIP3 8106 79.750 65.372 14.641 1.00 0.00 WT2 H ATOM 34659 H2 TIP3 8106 78.947 66.477 15.294 1.00 0.00 WT2 H ATOM 34660 OH2 TIP3 8107 49.117 15.058 29.486 1.00 0.00 WT2 O ATOM 34661 H1 TIP3 8107 48.884 15.927 29.813 1.00 0.00 WT2 H ATOM 34662 H2 TIP3 8107 49.836 15.217 28.874 1.00 0.00 WT2 H ATOM 34663 OH2 TIP3 8109 51.492 31.486 -14.826 1.00 0.00 WT2 O ATOM 34664 H1 TIP3 8109 51.382 32.429 -14.942 1.00 0.00 WT2 H ATOM 34665 H2 TIP3 8109 51.966 31.399 -13.999 1.00 0.00 WT2 H ATOM 34666 OH2 TIP3 8110 37.241 44.054 39.371 1.00 0.00 WT2 O ATOM 34667 H1 TIP3 8110 38.076 43.617 39.538 1.00 0.00 WT2 H ATOM 34668 H2 TIP3 8110 37.485 44.905 39.007 1.00 0.00 WT2 H ATOM 34669 OH2 TIP3 8111 76.954 28.185 12.855 1.00 0.00 WT2 O ATOM 34670 H1 TIP3 8111 76.502 27.847 12.082 1.00 0.00 WT2 H ATOM 34671 H2 TIP3 8111 76.355 28.010 13.580 1.00 0.00 WT2 H ATOM 34672 OH2 TIP3 8112 51.795 31.502 6.598 1.00 0.00 WT2 O ATOM 34673 H1 TIP3 8112 51.069 30.877 6.591 1.00 0.00 WT2 H ATOM 34674 H2 TIP3 8112 51.790 31.866 7.483 1.00 0.00 WT2 H ATOM 34675 OH2 TIP3 8113 84.433 31.107 19.729 1.00 0.00 WT2 O ATOM 34676 H1 TIP3 8113 85.378 31.042 19.591 1.00 0.00 WT2 H ATOM 34677 H2 TIP3 8113 84.325 31.063 20.679 1.00 0.00 WT2 H ATOM 34678 OH2 TIP3 8114 88.333 33.246 33.445 1.00 0.00 WT2 O ATOM 34679 H1 TIP3 8114 88.952 33.385 32.728 1.00 0.00 WT2 H ATOM 34680 H2 TIP3 8114 88.877 32.958 34.178 1.00 0.00 WT2 H ATOM 34681 OH2 TIP3 8126 79.016 65.657 -15.343 1.00 0.00 WT2 O ATOM 34682 H1 TIP3 8126 79.360 65.730 -14.453 1.00 0.00 WT2 H ATOM 34683 H2 TIP3 8126 79.503 66.313 -15.843 1.00 0.00 WT2 H ATOM 34684 OH2 TIP3 8129 58.922 58.554 54.281 1.00 0.00 WT2 O ATOM 34685 H1 TIP3 8129 59.560 57.896 54.557 1.00 0.00 WT2 H ATOM 34686 H2 TIP3 8129 59.374 59.056 53.602 1.00 0.00 WT2 H ATOM 34687 OH2 TIP3 8131 70.817 10.876 61.208 1.00 0.00 WT2 O ATOM 34688 H1 TIP3 8131 70.457 10.241 61.826 1.00 0.00 WT2 H ATOM 34689 H2 TIP3 8131 71.751 10.672 61.170 1.00 0.00 WT2 H ATOM 34690 OH2 TIP3 8135 28.286 93.588 57.783 1.00 0.00 WT2 O ATOM 34691 H1 TIP3 8135 27.936 93.706 56.900 1.00 0.00 WT2 H ATOM 34692 H2 TIP3 8135 28.028 94.382 58.251 1.00 0.00 WT2 H ATOM 34693 OH2 TIP3 8136 22.990 90.517 15.241 1.00 0.00 WT2 O ATOM 34694 H1 TIP3 8136 22.248 89.916 15.308 1.00 0.00 WT2 H ATOM 34695 H2 TIP3 8136 23.729 90.028 15.603 1.00 0.00 WT2 H ATOM 34696 OH2 TIP3 8150 75.719 86.185 -7.262 1.00 0.00 WT2 O ATOM 34697 H1 TIP3 8150 76.464 86.101 -7.857 1.00 0.00 WT2 H ATOM 34698 H2 TIP3 8150 75.379 87.064 -7.427 1.00 0.00 WT2 H ATOM 34699 OH2 TIP3 8152 52.496 51.044 56.716 1.00 0.00 WT2 O ATOM 34700 H1 TIP3 8152 52.276 51.614 57.453 1.00 0.00 WT2 H ATOM 34701 H2 TIP3 8152 53.193 51.508 56.253 1.00 0.00 WT2 H ATOM 34702 OH2 TIP3 8154 26.989 30.597 28.745 1.00 0.00 WT2 O ATOM 34703 H1 TIP3 8154 27.201 30.142 27.930 1.00 0.00 WT2 H ATOM 34704 H2 TIP3 8154 27.695 30.355 29.345 1.00 0.00 WT2 H ATOM 34705 OH2 TIP3 8155 30.969 84.213 57.900 1.00 0.00 WT2 O ATOM 34706 H1 TIP3 8155 31.278 84.252 56.995 1.00 0.00 WT2 H ATOM 34707 H2 TIP3 8155 30.268 84.864 57.942 1.00 0.00 WT2 H ATOM 34708 OH2 TIP3 8157 85.730 92.907 -8.950 1.00 0.00 WT2 O ATOM 34709 H1 TIP3 8157 84.881 93.068 -8.539 1.00 0.00 WT2 H ATOM 34710 H2 TIP3 8157 86.311 92.686 -8.221 1.00 0.00 WT2 H ATOM 34711 OH2 TIP3 8159 30.974 86.662 11.085 1.00 0.00 WT2 O ATOM 34712 H1 TIP3 8159 30.540 87.513 11.022 1.00 0.00 WT2 H ATOM 34713 H2 TIP3 8159 30.927 86.437 12.014 1.00 0.00 WT2 H ATOM 34714 OH2 TIP3 8169 82.574 66.909 4.003 1.00 0.00 WT2 O ATOM 34715 H1 TIP3 8169 82.583 67.775 4.412 1.00 0.00 WT2 H ATOM 34716 H2 TIP3 8169 82.885 66.317 4.688 1.00 0.00 WT2 H ATOM 34717 OH2 TIP3 8171 42.964 59.566 -7.707 1.00 0.00 WT2 O ATOM 34718 H1 TIP3 8171 43.481 59.756 -6.925 1.00 0.00 WT2 H ATOM 34719 H2 TIP3 8171 42.056 59.692 -7.432 1.00 0.00 WT2 H ATOM 34720 OH2 TIP3 8173 50.243 42.145 44.339 1.00 0.00 WT2 O ATOM 34721 H1 TIP3 8173 50.887 42.242 43.637 1.00 0.00 WT2 H ATOM 34722 H2 TIP3 8173 49.487 41.737 43.917 1.00 0.00 WT2 H ATOM 34723 OH2 TIP3 8174 34.561 47.172 60.114 1.00 0.00 WT2 O ATOM 34724 H1 TIP3 8174 34.763 47.093 59.182 1.00 0.00 WT2 H ATOM 34725 H2 TIP3 8174 35.081 47.919 60.410 1.00 0.00 WT2 H ATOM 34726 OH2 TIP3 8178 35.126 34.326 8.585 1.00 0.00 WT2 O ATOM 34727 H1 TIP3 8178 34.173 34.414 8.606 1.00 0.00 WT2 H ATOM 34728 H2 TIP3 8178 35.450 35.111 9.026 1.00 0.00 WT2 H ATOM 34729 OH2 TIP3 8181 80.659 6.997 61.857 1.00 0.00 WT2 O ATOM 34730 H1 TIP3 8181 80.414 6.754 60.965 1.00 0.00 WT2 H ATOM 34731 H2 TIP3 8181 80.842 6.164 62.291 1.00 0.00 WT2 H ATOM 34732 OH2 TIP3 8192 26.561 33.016 35.834 1.00 0.00 WT2 O ATOM 34733 H1 TIP3 8192 27.098 33.737 36.163 1.00 0.00 WT2 H ATOM 34734 H2 TIP3 8192 26.779 32.960 34.903 1.00 0.00 WT2 H ATOM 34735 OH2 TIP3 8193 44.227 96.520 44.384 1.00 0.00 WT2 O ATOM 34736 H1 TIP3 8193 43.807 96.708 43.545 1.00 0.00 WT2 H ATOM 34737 H2 TIP3 8193 44.737 95.726 44.224 1.00 0.00 WT2 H ATOM 34738 OH2 TIP3 8194 67.456 22.220 48.343 1.00 0.00 WT2 O ATOM 34739 H1 TIP3 8194 66.926 22.467 47.585 1.00 0.00 WT2 H ATOM 34740 H2 TIP3 8194 67.506 23.016 48.871 1.00 0.00 WT2 H ATOM 34741 OH2 TIP3 8196 57.987 29.560 65.516 1.00 0.00 WT2 O ATOM 34742 H1 TIP3 8196 58.585 28.837 65.327 1.00 0.00 WT2 H ATOM 34743 H2 TIP3 8196 57.182 29.334 65.051 1.00 0.00 WT2 H ATOM 34744 OH2 TIP3 8198 32.800 14.964 30.736 1.00 0.00 WT2 O ATOM 34745 H1 TIP3 8198 33.076 14.522 29.933 1.00 0.00 WT2 H ATOM 34746 H2 TIP3 8198 33.410 15.695 30.830 1.00 0.00 WT2 H ATOM 34747 OH2 TIP3 8200 89.889 49.382 48.405 1.00 0.00 WT2 O ATOM 34748 H1 TIP3 8200 90.460 50.146 48.327 1.00 0.00 WT2 H ATOM 34749 H2 TIP3 8200 89.763 49.084 47.504 1.00 0.00 WT2 H ATOM 34750 OH2 TIP3 8211 55.152 35.314 -9.146 1.00 0.00 WT2 O ATOM 34751 H1 TIP3 8211 54.760 35.958 -9.737 1.00 0.00 WT2 H ATOM 34752 H2 TIP3 8211 56.013 35.674 -8.936 1.00 0.00 WT2 H ATOM 34753 OH2 TIP3 8212 42.511 24.566 59.953 1.00 0.00 WT2 O ATOM 34754 H1 TIP3 8212 41.947 25.118 59.411 1.00 0.00 WT2 H ATOM 34755 H2 TIP3 8212 42.016 23.754 60.064 1.00 0.00 WT2 H ATOM 34756 OH2 TIP3 8215 27.496 43.228 53.918 1.00 0.00 WT2 O ATOM 34757 H1 TIP3 8215 27.067 43.776 53.261 1.00 0.00 WT2 H ATOM 34758 H2 TIP3 8215 27.641 42.392 53.475 1.00 0.00 WT2 H ATOM 34759 OH2 TIP3 8216 59.133 92.046 6.802 1.00 0.00 WT2 O ATOM 34760 H1 TIP3 8216 58.895 91.425 7.490 1.00 0.00 WT2 H ATOM 34761 H2 TIP3 8216 59.275 91.502 6.027 1.00 0.00 WT2 H ATOM 34762 OH2 TIP3 8218 68.529 91.154 36.562 1.00 0.00 WT2 O ATOM 34763 H1 TIP3 8218 68.028 91.005 35.760 1.00 0.00 WT2 H ATOM 34764 H2 TIP3 8218 69.442 91.039 36.298 1.00 0.00 WT2 H ATOM 34765 OH2 TIP3 8219 65.758 46.613 2.862 1.00 0.00 WT2 O ATOM 34766 H1 TIP3 8219 64.979 46.067 2.749 1.00 0.00 WT2 H ATOM 34767 H2 TIP3 8219 65.878 47.037 2.013 1.00 0.00 WT2 H ATOM 34768 OH2 TIP3 8231 48.134 2.654 61.200 1.00 0.00 WT2 O ATOM 34769 H1 TIP3 8231 47.574 3.427 61.273 1.00 0.00 WT2 H ATOM 34770 H2 TIP3 8231 48.690 2.686 61.979 1.00 0.00 WT2 H ATOM 34771 OH2 TIP3 8233 37.032 85.475 -0.195 1.00 0.00 WT2 O ATOM 34772 H1 TIP3 8233 37.570 86.050 -0.740 1.00 0.00 WT2 H ATOM 34773 H2 TIP3 8233 36.131 85.688 -0.437 1.00 0.00 WT2 H ATOM 34774 OH2 TIP3 8234 42.861 26.059 -3.461 1.00 0.00 WT2 O ATOM 34775 H1 TIP3 8234 43.049 25.128 -3.585 1.00 0.00 WT2 H ATOM 34776 H2 TIP3 8234 43.411 26.318 -2.722 1.00 0.00 WT2 H ATOM 34777 OH2 TIP3 8235 30.344 93.964 43.437 1.00 0.00 WT2 O ATOM 34778 H1 TIP3 8235 29.694 94.153 42.760 1.00 0.00 WT2 H ATOM 34779 H2 TIP3 8235 29.875 94.090 44.262 1.00 0.00 WT2 H ATOM 34780 OH2 TIP3 8239 72.806 71.610 -12.275 1.00 0.00 WT2 O ATOM 34781 H1 TIP3 8239 72.228 71.311 -11.573 1.00 0.00 WT2 H ATOM 34782 H2 TIP3 8239 73.607 71.882 -11.828 1.00 0.00 WT2 H ATOM 34783 OH2 TIP3 8240 28.668 76.957 1.449 1.00 0.00 WT2 O ATOM 34784 H1 TIP3 8240 28.230 77.205 0.635 1.00 0.00 WT2 H ATOM 34785 H2 TIP3 8240 29.339 77.628 1.575 1.00 0.00 WT2 H ATOM 34786 OH2 TIP3 8242 35.999 25.043 32.774 1.00 0.00 WT2 O ATOM 34787 H1 TIP3 8242 36.465 25.705 33.285 1.00 0.00 WT2 H ATOM 34788 H2 TIP3 8242 36.664 24.680 32.189 1.00 0.00 WT2 H ATOM 34789 OH2 TIP3 8256 71.602 36.157 52.819 1.00 0.00 WT2 O ATOM 34790 H1 TIP3 8256 72.284 35.664 52.362 1.00 0.00 WT2 H ATOM 34791 H2 TIP3 8256 70.884 36.215 52.188 1.00 0.00 WT2 H ATOM 34792 OH2 TIP3 8257 77.808 10.575 -2.842 1.00 0.00 WT2 O ATOM 34793 H1 TIP3 8257 77.764 11.529 -2.901 1.00 0.00 WT2 H ATOM 34794 H2 TIP3 8257 78.283 10.407 -2.028 1.00 0.00 WT2 H ATOM 34795 OH2 TIP3 8258 51.298 3.765 29.546 1.00 0.00 WT2 O ATOM 34796 H1 TIP3 8258 50.849 4.582 29.761 1.00 0.00 WT2 H ATOM 34797 H2 TIP3 8258 50.889 3.472 28.732 1.00 0.00 WT2 H ATOM 34798 OH2 TIP3 8259 83.632 70.146 58.743 1.00 0.00 WT2 O ATOM 34799 H1 TIP3 8259 83.643 71.100 58.822 1.00 0.00 WT2 H ATOM 34800 H2 TIP3 8259 83.451 69.984 57.817 1.00 0.00 WT2 H ATOM 34801 OH2 TIP3 8260 37.952 41.503 18.132 1.00 0.00 WT2 O ATOM 34802 H1 TIP3 8260 38.600 40.839 18.364 1.00 0.00 WT2 H ATOM 34803 H2 TIP3 8260 38.362 42.334 18.372 1.00 0.00 WT2 H ATOM 34804 OH2 TIP3 8276 55.295 24.237 23.474 1.00 0.00 WT2 O ATOM 34805 H1 TIP3 8276 54.799 24.113 24.282 1.00 0.00 WT2 H ATOM 34806 H2 TIP3 8276 55.481 25.175 23.448 1.00 0.00 WT2 H ATOM 34807 OH2 TIP3 8277 65.693 69.166 -11.782 1.00 0.00 WT2 O ATOM 34808 H1 TIP3 8277 66.165 68.453 -12.213 1.00 0.00 WT2 H ATOM 34809 H2 TIP3 8277 66.365 69.825 -11.605 1.00 0.00 WT2 H ATOM 34810 OH2 TIP3 8278 83.747 85.896 12.859 1.00 0.00 WT2 O ATOM 34811 H1 TIP3 8278 82.860 85.569 13.011 1.00 0.00 WT2 H ATOM 34812 H2 TIP3 8278 84.279 85.468 13.529 1.00 0.00 WT2 H ATOM 34813 OH2 TIP3 8279 58.954 21.810 -2.056 1.00 0.00 WT2 O ATOM 34814 H1 TIP3 8279 58.043 22.103 -2.051 1.00 0.00 WT2 H ATOM 34815 H2 TIP3 8279 59.217 21.827 -1.136 1.00 0.00 WT2 H ATOM 34816 OH2 TIP3 8280 67.911 13.567 -7.905 1.00 0.00 WT2 O ATOM 34817 H1 TIP3 8280 68.138 14.371 -7.438 1.00 0.00 WT2 H ATOM 34818 H2 TIP3 8280 67.080 13.767 -8.336 1.00 0.00 WT2 H ATOM 34819 OH2 TIP3 8281 64.343 40.723 57.914 1.00 0.00 WT2 O ATOM 34820 H1 TIP3 8281 63.742 40.612 57.177 1.00 0.00 WT2 H ATOM 34821 H2 TIP3 8281 64.528 39.832 58.209 1.00 0.00 WT2 H ATOM 34822 OH2 TIP3 8297 58.923 49.537 -12.383 1.00 0.00 WT2 O ATOM 34823 H1 TIP3 8297 59.141 49.231 -11.503 1.00 0.00 WT2 H ATOM 34824 H2 TIP3 8297 58.275 48.909 -12.702 1.00 0.00 WT2 H ATOM 34825 OH2 TIP3 8300 64.413 91.337 38.397 1.00 0.00 WT2 O ATOM 34826 H1 TIP3 8300 64.602 91.465 37.467 1.00 0.00 WT2 H ATOM 34827 H2 TIP3 8300 63.465 91.207 38.433 1.00 0.00 WT2 H ATOM 34828 OH2 TIP3 8301 68.357 51.448 66.736 1.00 0.00 WT2 O ATOM 34829 H1 TIP3 8301 68.534 52.112 67.402 1.00 0.00 WT2 H ATOM 34830 H2 TIP3 8301 67.821 51.900 66.083 1.00 0.00 WT2 H ATOM 34831 OH2 TIP3 8302 47.708 37.284 47.148 1.00 0.00 WT2 O ATOM 34832 H1 TIP3 8302 47.821 36.562 46.530 1.00 0.00 WT2 H ATOM 34833 H2 TIP3 8302 47.094 37.877 46.714 1.00 0.00 WT2 H ATOM 34834 OH2 TIP3 8305 51.462 8.731 10.526 1.00 0.00 WT2 O ATOM 34835 H1 TIP3 8305 50.832 8.011 10.553 1.00 0.00 WT2 H ATOM 34836 H2 TIP3 8305 52.263 8.363 10.899 1.00 0.00 WT2 H ATOM 34837 OH2 TIP3 8315 35.808 36.125 -2.259 1.00 0.00 WT2 O ATOM 34838 H1 TIP3 8315 36.491 36.055 -1.593 1.00 0.00 WT2 H ATOM 34839 H2 TIP3 8315 36.243 36.531 -3.009 1.00 0.00 WT2 H ATOM 34840 OH2 TIP3 8317 59.766 68.027 -4.957 1.00 0.00 WT2 O ATOM 34841 H1 TIP3 8317 58.816 68.049 -4.841 1.00 0.00 WT2 H ATOM 34842 H2 TIP3 8317 59.911 67.357 -5.625 1.00 0.00 WT2 H ATOM 34843 OH2 TIP3 8319 78.090 31.980 27.946 1.00 0.00 WT2 O ATOM 34844 H1 TIP3 8319 77.959 32.155 27.014 1.00 0.00 WT2 H ATOM 34845 H2 TIP3 8319 77.674 32.718 28.390 1.00 0.00 WT2 H ATOM 34846 OH2 TIP3 8322 31.141 73.020 56.795 1.00 0.00 WT2 O ATOM 34847 H1 TIP3 8322 31.723 73.127 56.042 1.00 0.00 WT2 H ATOM 34848 H2 TIP3 8322 31.428 72.205 57.206 1.00 0.00 WT2 H ATOM 34849 OH2 TIP3 8323 58.686 49.693 48.318 1.00 0.00 WT2 O ATOM 34850 H1 TIP3 8323 59.180 50.507 48.224 1.00 0.00 WT2 H ATOM 34851 H2 TIP3 8323 58.974 49.333 49.157 1.00 0.00 WT2 H ATOM 34852 OH2 TIP3 8324 72.032 18.493 52.768 1.00 0.00 WT2 O ATOM 34853 H1 TIP3 8324 72.266 19.235 52.209 1.00 0.00 WT2 H ATOM 34854 H2 TIP3 8324 72.508 18.648 53.584 1.00 0.00 WT2 H ATOM 34855 OH2 TIP3 8325 57.793 62.133 -3.540 1.00 0.00 WT2 O ATOM 34856 H1 TIP3 8325 58.030 63.052 -3.415 1.00 0.00 WT2 H ATOM 34857 H2 TIP3 8325 56.890 62.074 -3.230 1.00 0.00 WT2 H ATOM 34858 OH2 TIP3 8338 30.775 66.440 4.332 1.00 0.00 WT2 O ATOM 34859 H1 TIP3 8338 31.367 66.906 3.742 1.00 0.00 WT2 H ATOM 34860 H2 TIP3 8338 31.348 65.877 4.852 1.00 0.00 WT2 H ATOM 34861 OH2 TIP3 8339 42.151 1.946 54.223 1.00 0.00 WT2 O ATOM 34862 H1 TIP3 8339 42.436 1.040 54.342 1.00 0.00 WT2 H ATOM 34863 H2 TIP3 8339 42.587 2.429 54.925 1.00 0.00 WT2 H ATOM 34864 OH2 TIP3 8344 88.813 90.325 8.226 1.00 0.00 WT2 O ATOM 34865 H1 TIP3 8344 88.889 89.494 8.696 1.00 0.00 WT2 H ATOM 34866 H2 TIP3 8344 88.856 90.993 8.910 1.00 0.00 WT2 H ATOM 34867 OH2 TIP3 8345 23.767 18.208 -0.648 1.00 0.00 WT2 O ATOM 34868 H1 TIP3 8345 23.133 18.857 -0.345 1.00 0.00 WT2 H ATOM 34869 H2 TIP3 8345 24.593 18.472 -0.243 1.00 0.00 WT2 H ATOM 34870 OH2 TIP3 8347 63.723 25.707 37.881 1.00 0.00 WT2 O ATOM 34871 H1 TIP3 8347 64.420 25.669 38.536 1.00 0.00 WT2 H ATOM 34872 H2 TIP3 8347 64.128 25.377 37.079 1.00 0.00 WT2 H ATOM 34873 OH2 TIP3 8362 73.111 96.238 39.477 1.00 0.00 WT2 O ATOM 34874 H1 TIP3 8362 73.329 95.320 39.315 1.00 0.00 WT2 H ATOM 34875 H2 TIP3 8362 72.174 96.230 39.674 1.00 0.00 WT2 H ATOM 34876 OH2 TIP3 8363 74.725 69.203 -9.256 1.00 0.00 WT2 O ATOM 34877 H1 TIP3 8363 74.982 68.483 -9.832 1.00 0.00 WT2 H ATOM 34878 H2 TIP3 8363 74.066 68.822 -8.675 1.00 0.00 WT2 H ATOM 34879 OH2 TIP3 8364 72.116 62.972 16.013 1.00 0.00 WT2 O ATOM 34880 H1 TIP3 8364 71.661 62.758 15.199 1.00 0.00 WT2 H ATOM 34881 H2 TIP3 8364 72.322 62.122 16.404 1.00 0.00 WT2 H ATOM 34882 OH2 TIP3 8365 67.900 78.272 14.816 1.00 0.00 WT2 O ATOM 34883 H1 TIP3 8365 68.771 78.420 14.449 1.00 0.00 WT2 H ATOM 34884 H2 TIP3 8365 67.748 77.334 14.705 1.00 0.00 WT2 H ATOM 34885 OH2 TIP3 8366 71.193 85.169 -19.232 1.00 0.00 WT2 O ATOM 34886 H1 TIP3 8366 70.351 84.776 -19.461 1.00 0.00 WT2 H ATOM 34887 H2 TIP3 8366 71.650 84.486 -18.741 1.00 0.00 WT2 H ATOM 34888 OH2 TIP3 8367 68.657 79.242 23.158 1.00 0.00 WT2 O ATOM 34889 H1 TIP3 8367 68.811 79.033 22.236 1.00 0.00 WT2 H ATOM 34890 H2 TIP3 8367 69.000 78.487 23.636 1.00 0.00 WT2 H ATOM 34891 OH2 TIP3 8377 68.345 82.995 11.660 1.00 0.00 WT2 O ATOM 34892 H1 TIP3 8377 67.938 82.486 12.361 1.00 0.00 WT2 H ATOM 34893 H2 TIP3 8377 68.077 82.550 10.855 1.00 0.00 WT2 H ATOM 34894 OH2 TIP3 8378 43.654 36.171 9.911 1.00 0.00 WT2 O ATOM 34895 H1 TIP3 8378 44.101 35.707 10.619 1.00 0.00 WT2 H ATOM 34896 H2 TIP3 8378 43.815 37.097 10.093 1.00 0.00 WT2 H ATOM 34897 OH2 TIP3 8379 30.359 26.573 2.680 1.00 0.00 WT2 O ATOM 34898 H1 TIP3 8379 30.198 26.322 1.771 1.00 0.00 WT2 H ATOM 34899 H2 TIP3 8379 29.779 27.320 2.829 1.00 0.00 WT2 H ATOM 34900 OH2 TIP3 8380 74.421 30.780 56.729 1.00 0.00 WT2 O ATOM 34901 H1 TIP3 8380 73.591 31.249 56.650 1.00 0.00 WT2 H ATOM 34902 H2 TIP3 8380 74.175 29.855 56.738 1.00 0.00 WT2 H ATOM 34903 OH2 TIP3 8381 81.754 23.075 32.339 1.00 0.00 WT2 O ATOM 34904 H1 TIP3 8381 82.096 23.335 31.484 1.00 0.00 WT2 H ATOM 34905 H2 TIP3 8381 82.296 23.548 32.969 1.00 0.00 WT2 H ATOM 34906 OH2 TIP3 8382 40.857 24.094 -10.384 1.00 0.00 WT2 O ATOM 34907 H1 TIP3 8382 41.563 24.631 -10.743 1.00 0.00 WT2 H ATOM 34908 H2 TIP3 8382 41.299 23.471 -9.807 1.00 0.00 WT2 H ATOM 34909 OH2 TIP3 8383 59.755 56.562 -0.099 1.00 0.00 WT2 O ATOM 34910 H1 TIP3 8383 60.460 57.009 0.369 1.00 0.00 WT2 H ATOM 34911 H2 TIP3 8383 58.973 56.731 0.427 1.00 0.00 WT2 H ATOM 34912 OH2 TIP3 8384 55.969 14.822 32.615 1.00 0.00 WT2 O ATOM 34913 H1 TIP3 8384 56.537 15.137 31.912 1.00 0.00 WT2 H ATOM 34914 H2 TIP3 8384 55.095 14.797 32.224 1.00 0.00 WT2 H ATOM 34915 OH2 TIP3 8385 72.292 46.384 1.834 1.00 0.00 WT2 O ATOM 34916 H1 TIP3 8385 72.798 46.423 2.645 1.00 0.00 WT2 H ATOM 34917 H2 TIP3 8385 72.922 46.601 1.147 1.00 0.00 WT2 H ATOM 34918 OH2 TIP3 8386 78.709 23.000 -5.873 1.00 0.00 WT2 O ATOM 34919 H1 TIP3 8386 78.485 22.562 -5.052 1.00 0.00 WT2 H ATOM 34920 H2 TIP3 8386 78.717 23.931 -5.653 1.00 0.00 WT2 H ATOM 34921 OH2 TIP3 8388 39.203 25.661 2.698 1.00 0.00 WT2 O ATOM 34922 H1 TIP3 8388 39.328 26.592 2.515 1.00 0.00 WT2 H ATOM 34923 H2 TIP3 8388 39.865 25.455 3.358 1.00 0.00 WT2 H ATOM 34924 OH2 TIP3 8389 64.185 27.762 -12.118 1.00 0.00 WT2 O ATOM 34925 H1 TIP3 8389 65.035 27.645 -11.696 1.00 0.00 WT2 H ATOM 34926 H2 TIP3 8389 63.641 27.058 -11.764 1.00 0.00 WT2 H ATOM 34927 OH2 TIP3 8390 81.998 77.539 23.367 1.00 0.00 WT2 O ATOM 34928 H1 TIP3 8390 82.770 77.344 23.898 1.00 0.00 WT2 H ATOM 34929 H2 TIP3 8390 81.391 76.823 23.553 1.00 0.00 WT2 H ATOM 34930 OH2 TIP3 8403 37.593 79.335 59.340 1.00 0.00 WT2 O ATOM 34931 H1 TIP3 8403 38.452 78.975 59.558 1.00 0.00 WT2 H ATOM 34932 H2 TIP3 8403 37.772 79.998 58.673 1.00 0.00 WT2 H ATOM 34933 OH2 TIP3 8405 37.809 77.542 31.510 1.00 0.00 WT2 O ATOM 34934 H1 TIP3 8405 37.795 76.970 30.743 1.00 0.00 WT2 H ATOM 34935 H2 TIP3 8405 38.620 78.042 31.423 1.00 0.00 WT2 H ATOM 34936 OH2 TIP3 8411 22.242 18.840 51.992 1.00 0.00 WT2 O ATOM 34937 H1 TIP3 8411 21.803 19.378 51.334 1.00 0.00 WT2 H ATOM 34938 H2 TIP3 8411 22.092 17.939 51.703 1.00 0.00 WT2 H ATOM 34939 OH2 TIP3 8425 49.457 2.385 63.567 1.00 0.00 WT2 O ATOM 34940 H1 TIP3 8425 49.861 3.233 63.747 1.00 0.00 WT2 H ATOM 34941 H2 TIP3 8425 49.917 1.773 64.141 1.00 0.00 WT2 H ATOM 34942 OH2 TIP3 8427 61.235 19.270 -11.048 1.00 0.00 WT2 O ATOM 34943 H1 TIP3 8427 60.862 18.392 -11.124 1.00 0.00 WT2 H ATOM 34944 H2 TIP3 8427 62.080 19.135 -10.619 1.00 0.00 WT2 H ATOM 34945 OH2 TIP3 8428 68.744 62.468 26.438 1.00 0.00 WT2 O ATOM 34946 H1 TIP3 8428 68.765 62.368 25.487 1.00 0.00 WT2 H ATOM 34947 H2 TIP3 8428 68.038 61.889 26.725 1.00 0.00 WT2 H ATOM 34948 OH2 TIP3 8431 83.340 51.828 30.874 1.00 0.00 WT2 O ATOM 34949 H1 TIP3 8431 83.288 51.880 29.920 1.00 0.00 WT2 H ATOM 34950 H2 TIP3 8431 82.427 51.809 31.163 1.00 0.00 WT2 H ATOM 34951 OH2 TIP3 8441 60.643 43.649 47.052 1.00 0.00 WT2 O ATOM 34952 H1 TIP3 8441 61.236 44.368 47.271 1.00 0.00 WT2 H ATOM 34953 H2 TIP3 8441 61.120 43.134 46.402 1.00 0.00 WT2 H ATOM 34954 OH2 TIP3 8442 89.402 6.768 34.256 1.00 0.00 WT2 O ATOM 34955 H1 TIP3 8442 89.464 7.583 33.758 1.00 0.00 WT2 H ATOM 34956 H2 TIP3 8442 90.235 6.710 34.725 1.00 0.00 WT2 H ATOM 34957 OH2 TIP3 8444 76.262 10.451 -20.157 1.00 0.00 WT2 O ATOM 34958 H1 TIP3 8444 75.392 10.105 -19.954 1.00 0.00 WT2 H ATOM 34959 H2 TIP3 8444 76.635 10.677 -19.305 1.00 0.00 WT2 H ATOM 34960 OH2 TIP3 8445 30.158 66.342 47.969 1.00 0.00 WT2 O ATOM 34961 H1 TIP3 8445 30.725 66.160 47.219 1.00 0.00 WT2 H ATOM 34962 H2 TIP3 8445 29.512 66.964 47.634 1.00 0.00 WT2 H ATOM 34963 OH2 TIP3 8446 27.105 2.067 -19.264 1.00 0.00 WT2 O ATOM 34964 H1 TIP3 8446 27.575 2.878 -19.456 1.00 0.00 WT2 H ATOM 34965 H2 TIP3 8446 26.334 2.347 -18.771 1.00 0.00 WT2 H ATOM 34966 OH2 TIP3 8449 42.153 17.101 21.233 1.00 0.00 WT2 O ATOM 34967 H1 TIP3 8449 42.075 17.686 20.479 1.00 0.00 WT2 H ATOM 34968 H2 TIP3 8449 42.699 17.582 21.854 1.00 0.00 WT2 H ATOM 34969 OH2 TIP3 8455 34.200 94.167 54.188 1.00 0.00 WT2 O ATOM 34970 H1 TIP3 8455 34.327 93.220 54.124 1.00 0.00 WT2 H ATOM 34971 H2 TIP3 8455 35.084 94.531 54.148 1.00 0.00 WT2 H ATOM 34972 OH2 TIP3 8462 48.204 27.517 45.484 1.00 0.00 WT2 O ATOM 34973 H1 TIP3 8462 49.076 27.517 45.089 1.00 0.00 WT2 H ATOM 34974 H2 TIP3 8462 47.798 28.325 45.170 1.00 0.00 WT2 H ATOM 34975 OH2 TIP3 8463 80.841 12.675 66.576 1.00 0.00 WT2 O ATOM 34976 H1 TIP3 8463 81.241 11.814 66.695 1.00 0.00 WT2 H ATOM 34977 H2 TIP3 8463 80.332 12.816 67.375 1.00 0.00 WT2 H ATOM 34978 OH2 TIP3 8465 29.532 23.861 49.859 1.00 0.00 WT2 O ATOM 34979 H1 TIP3 8465 28.902 23.647 50.548 1.00 0.00 WT2 H ATOM 34980 H2 TIP3 8465 28.992 24.063 49.095 1.00 0.00 WT2 H ATOM 34981 OH2 TIP3 8466 82.457 5.499 63.855 1.00 0.00 WT2 O ATOM 34982 H1 TIP3 8466 82.491 5.806 64.761 1.00 0.00 WT2 H ATOM 34983 H2 TIP3 8466 82.606 6.285 63.330 1.00 0.00 WT2 H ATOM 34984 OH2 TIP3 8468 59.279 54.161 -5.220 1.00 0.00 WT2 O ATOM 34985 H1 TIP3 8468 58.615 53.780 -5.795 1.00 0.00 WT2 H ATOM 34986 H2 TIP3 8468 58.933 55.024 -4.992 1.00 0.00 WT2 H ATOM 34987 OH2 TIP3 8471 43.664 65.744 -12.850 1.00 0.00 WT2 O ATOM 34988 H1 TIP3 8471 44.118 65.981 -13.659 1.00 0.00 WT2 H ATOM 34989 H2 TIP3 8471 43.671 66.546 -12.328 1.00 0.00 WT2 H ATOM 34990 OH2 TIP3 8486 67.311 19.009 -2.054 1.00 0.00 WT2 O ATOM 34991 H1 TIP3 8486 67.420 18.379 -2.766 1.00 0.00 WT2 H ATOM 34992 H2 TIP3 8486 66.469 18.783 -1.659 1.00 0.00 WT2 H ATOM 34993 OH2 TIP3 8487 49.498 16.194 -1.485 1.00 0.00 WT2 O ATOM 34994 H1 TIP3 8487 49.689 17.030 -1.910 1.00 0.00 WT2 H ATOM 34995 H2 TIP3 8487 50.174 16.106 -0.813 1.00 0.00 WT2 H ATOM 34996 OH2 TIP3 8488 49.573 51.711 45.901 1.00 0.00 WT2 O ATOM 34997 H1 TIP3 8488 50.024 51.281 45.175 1.00 0.00 WT2 H ATOM 34998 H2 TIP3 8488 50.030 52.545 46.007 1.00 0.00 WT2 H ATOM 34999 OH2 TIP3 8489 84.861 2.831 -2.555 1.00 0.00 WT2 O ATOM 35000 H1 TIP3 8489 85.245 2.866 -1.679 1.00 0.00 WT2 H ATOM 35001 H2 TIP3 8489 84.135 3.454 -2.524 1.00 0.00 WT2 H ATOM 35002 OH2 TIP3 8490 63.270 92.707 -8.935 1.00 0.00 WT2 O ATOM 35003 H1 TIP3 8490 63.269 92.599 -9.886 1.00 0.00 WT2 H ATOM 35004 H2 TIP3 8490 63.942 93.369 -8.769 1.00 0.00 WT2 H ATOM 35005 OH2 TIP3 8493 70.176 57.249 -7.403 1.00 0.00 WT2 O ATOM 35006 H1 TIP3 8493 70.602 56.680 -8.045 1.00 0.00 WT2 H ATOM 35007 H2 TIP3 8493 69.443 56.730 -7.072 1.00 0.00 WT2 H ATOM 35008 OH2 TIP3 8504 89.372 57.688 -4.711 1.00 0.00 WT2 O ATOM 35009 H1 TIP3 8504 88.589 57.874 -4.193 1.00 0.00 WT2 H ATOM 35010 H2 TIP3 8504 89.986 57.298 -4.088 1.00 0.00 WT2 H ATOM 35011 OH2 TIP3 8505 51.205 43.416 -5.960 1.00 0.00 WT2 O ATOM 35012 H1 TIP3 8505 50.878 43.810 -6.769 1.00 0.00 WT2 H ATOM 35013 H2 TIP3 8505 51.446 44.162 -5.411 1.00 0.00 WT2 H ATOM 35014 OH2 TIP3 8506 54.388 46.808 1.540 1.00 0.00 WT2 O ATOM 35015 H1 TIP3 8506 55.282 47.136 1.629 1.00 0.00 WT2 H ATOM 35016 H2 TIP3 8506 54.410 45.939 1.941 1.00 0.00 WT2 H ATOM 35017 OH2 TIP3 8507 41.147 38.647 65.205 1.00 0.00 WT2 O ATOM 35018 H1 TIP3 8507 40.585 39.409 65.343 1.00 0.00 WT2 H ATOM 35019 H2 TIP3 8507 40.967 38.376 64.305 1.00 0.00 WT2 H ATOM 35020 OH2 TIP3 8508 42.738 37.218 40.358 1.00 0.00 WT2 O ATOM 35021 H1 TIP3 8508 42.976 37.824 39.656 1.00 0.00 WT2 H ATOM 35022 H2 TIP3 8508 41.867 36.902 40.116 1.00 0.00 WT2 H ATOM 35023 OH2 TIP3 8509 32.403 79.793 38.512 1.00 0.00 WT2 O ATOM 35024 H1 TIP3 8509 33.163 79.403 38.943 1.00 0.00 WT2 H ATOM 35025 H2 TIP3 8509 32.380 80.694 38.834 1.00 0.00 WT2 H ATOM 35026 OH2 TIP3 8513 52.661 10.172 -9.660 1.00 0.00 WT2 O ATOM 35027 H1 TIP3 8513 52.216 11.017 -9.595 1.00 0.00 WT2 H ATOM 35028 H2 TIP3 8513 52.325 9.666 -8.920 1.00 0.00 WT2 H ATOM 35029 OH2 TIP3 8515 53.673 96.089 41.924 1.00 0.00 WT2 O ATOM 35030 H1 TIP3 8515 53.284 96.506 41.156 1.00 0.00 WT2 H ATOM 35031 H2 TIP3 8515 53.790 95.174 41.668 1.00 0.00 WT2 H ATOM 35032 OH2 TIP3 8516 55.110 8.831 -13.463 1.00 0.00 WT2 O ATOM 35033 H1 TIP3 8516 55.578 8.109 -13.043 1.00 0.00 WT2 H ATOM 35034 H2 TIP3 8516 54.868 8.492 -14.324 1.00 0.00 WT2 H ATOM 35035 OH2 TIP3 8528 74.562 39.725 23.601 1.00 0.00 WT2 O ATOM 35036 H1 TIP3 8528 74.275 40.473 23.078 1.00 0.00 WT2 H ATOM 35037 H2 TIP3 8528 74.342 38.961 23.068 1.00 0.00 WT2 H ATOM 35038 OH2 TIP3 8529 76.870 38.643 56.104 1.00 0.00 WT2 O ATOM 35039 H1 TIP3 8529 77.554 38.930 55.500 1.00 0.00 WT2 H ATOM 35040 H2 TIP3 8529 76.196 39.320 56.043 1.00 0.00 WT2 H ATOM 35041 OH2 TIP3 8530 79.714 70.829 0.502 1.00 0.00 WT2 O ATOM 35042 H1 TIP3 8530 80.314 70.449 1.144 1.00 0.00 WT2 H ATOM 35043 H2 TIP3 8530 78.856 70.478 0.740 1.00 0.00 WT2 H ATOM 35044 OH2 TIP3 8531 37.737 56.404 -11.395 1.00 0.00 WT2 O ATOM 35045 H1 TIP3 8531 37.774 57.297 -11.052 1.00 0.00 WT2 H ATOM 35046 H2 TIP3 8531 37.670 55.851 -10.617 1.00 0.00 WT2 H ATOM 35047 OH2 TIP3 8532 75.604 47.229 -13.397 1.00 0.00 WT2 O ATOM 35048 H1 TIP3 8532 74.818 47.523 -12.937 1.00 0.00 WT2 H ATOM 35049 H2 TIP3 8532 75.993 48.031 -13.744 1.00 0.00 WT2 H ATOM 35050 OH2 TIP3 8533 57.675 23.374 25.956 1.00 0.00 WT2 O ATOM 35051 H1 TIP3 8533 57.548 22.937 25.114 1.00 0.00 WT2 H ATOM 35052 H2 TIP3 8533 58.012 24.241 25.728 1.00 0.00 WT2 H ATOM 35053 OH2 TIP3 8534 20.947 88.078 55.467 1.00 0.00 WT2 O ATOM 35054 H1 TIP3 8534 21.867 88.084 55.203 1.00 0.00 WT2 H ATOM 35055 H2 TIP3 8534 20.772 88.977 55.746 1.00 0.00 WT2 H ATOM 35056 OH2 TIP3 8535 74.785 54.619 60.484 1.00 0.00 WT2 O ATOM 35057 H1 TIP3 8535 75.089 54.488 61.382 1.00 0.00 WT2 H ATOM 35058 H2 TIP3 8535 74.483 55.527 60.463 1.00 0.00 WT2 H ATOM 35059 OH2 TIP3 8536 71.405 84.593 6.684 1.00 0.00 WT2 O ATOM 35060 H1 TIP3 8536 70.818 84.809 7.408 1.00 0.00 WT2 H ATOM 35061 H2 TIP3 8536 72.284 84.671 7.056 1.00 0.00 WT2 H ATOM 35062 OH2 TIP3 8539 67.350 56.934 -14.700 1.00 0.00 WT2 O ATOM 35063 H1 TIP3 8539 67.256 56.285 -15.397 1.00 0.00 WT2 H ATOM 35064 H2 TIP3 8539 66.452 57.197 -14.495 1.00 0.00 WT2 H ATOM 35065 OH2 TIP3 8543 62.056 42.975 55.288 1.00 0.00 WT2 O ATOM 35066 H1 TIP3 8543 62.969 42.952 55.001 1.00 0.00 WT2 H ATOM 35067 H2 TIP3 8543 61.888 43.899 55.477 1.00 0.00 WT2 H ATOM 35068 OH2 TIP3 8548 20.229 10.948 38.384 1.00 0.00 WT2 O ATOM 35069 H1 TIP3 8548 20.362 10.072 38.022 1.00 0.00 WT2 H ATOM 35070 H2 TIP3 8548 20.848 11.501 37.908 1.00 0.00 WT2 H ATOM 35071 OH2 TIP3 8549 52.869 15.523 40.556 1.00 0.00 WT2 O ATOM 35072 H1 TIP3 8549 52.279 14.867 40.926 1.00 0.00 WT2 H ATOM 35073 H2 TIP3 8549 52.566 16.353 40.924 1.00 0.00 WT2 H ATOM 35074 OH2 TIP3 8550 43.047 80.225 26.339 1.00 0.00 WT2 O ATOM 35075 H1 TIP3 8550 42.782 79.339 26.090 1.00 0.00 WT2 H ATOM 35076 H2 TIP3 8550 43.852 80.102 26.841 1.00 0.00 WT2 H ATOM 35077 OH2 TIP3 8551 34.586 96.592 38.713 1.00 0.00 WT2 O ATOM 35078 H1 TIP3 8551 34.109 97.279 38.246 1.00 0.00 WT2 H ATOM 35079 H2 TIP3 8551 34.087 95.794 38.539 1.00 0.00 WT2 H ATOM 35080 OH2 TIP3 8553 32.376 6.008 55.351 1.00 0.00 WT2 O ATOM 35081 H1 TIP3 8553 33.307 6.102 55.152 1.00 0.00 WT2 H ATOM 35082 H2 TIP3 8553 32.326 5.229 55.905 1.00 0.00 WT2 H ATOM 35083 OH2 TIP3 8554 68.456 35.707 58.497 1.00 0.00 WT2 O ATOM 35084 H1 TIP3 8554 68.219 36.618 58.673 1.00 0.00 WT2 H ATOM 35085 H2 TIP3 8554 69.408 35.722 58.399 1.00 0.00 WT2 H ATOM 35086 OH2 TIP3 8556 33.112 22.505 35.289 1.00 0.00 WT2 O ATOM 35087 H1 TIP3 8556 32.834 22.964 34.496 1.00 0.00 WT2 H ATOM 35088 H2 TIP3 8556 32.409 22.665 35.918 1.00 0.00 WT2 H ATOM 35089 OH2 TIP3 8558 71.679 49.335 66.359 1.00 0.00 WT2 O ATOM 35090 H1 TIP3 8558 70.867 49.326 65.853 1.00 0.00 WT2 H ATOM 35091 H2 TIP3 8558 72.162 50.091 66.024 1.00 0.00 WT2 H ATOM 35092 OH2 TIP3 8571 90.133 61.752 -12.255 1.00 0.00 WT2 O ATOM 35093 H1 TIP3 8571 91.025 61.998 -12.009 1.00 0.00 WT2 H ATOM 35094 H2 TIP3 8571 89.692 62.585 -12.424 1.00 0.00 WT2 H ATOM 35095 OH2 TIP3 8572 80.919 22.606 14.486 1.00 0.00 WT2 O ATOM 35096 H1 TIP3 8572 81.784 22.232 14.652 1.00 0.00 WT2 H ATOM 35097 H2 TIP3 8572 81.045 23.551 14.572 1.00 0.00 WT2 H ATOM 35098 OH2 TIP3 8573 49.939 26.004 31.402 1.00 0.00 WT2 O ATOM 35099 H1 TIP3 8573 50.300 26.568 30.718 1.00 0.00 WT2 H ATOM 35100 H2 TIP3 8573 49.249 26.529 31.807 1.00 0.00 WT2 H ATOM 35101 OH2 TIP3 8574 52.594 25.489 38.041 1.00 0.00 WT2 O ATOM 35102 H1 TIP3 8574 51.782 25.855 38.391 1.00 0.00 WT2 H ATOM 35103 H2 TIP3 8574 52.601 25.753 37.121 1.00 0.00 WT2 H ATOM 35104 OH2 TIP3 8576 25.671 59.868 23.361 1.00 0.00 WT2 O ATOM 35105 H1 TIP3 8576 26.156 59.365 22.706 1.00 0.00 WT2 H ATOM 35106 H2 TIP3 8576 26.137 59.706 24.181 1.00 0.00 WT2 H ATOM 35107 OH2 TIP3 8589 52.624 49.875 -17.956 1.00 0.00 WT2 O ATOM 35108 H1 TIP3 8589 53.494 49.660 -17.620 1.00 0.00 WT2 H ATOM 35109 H2 TIP3 8589 52.023 49.366 -17.411 1.00 0.00 WT2 H ATOM 35110 OH2 TIP3 8590 77.690 88.942 31.898 1.00 0.00 WT2 O ATOM 35111 H1 TIP3 8590 77.761 89.865 32.140 1.00 0.00 WT2 H ATOM 35112 H2 TIP3 8590 76.753 88.801 31.764 1.00 0.00 WT2 H ATOM 35113 OH2 TIP3 8592 72.007 70.550 45.114 1.00 0.00 WT2 O ATOM 35114 H1 TIP3 8592 71.759 70.639 44.193 1.00 0.00 WT2 H ATOM 35115 H2 TIP3 8592 72.306 69.644 45.195 1.00 0.00 WT2 H ATOM 35116 OH2 TIP3 8593 86.171 35.782 38.361 1.00 0.00 WT2 O ATOM 35117 H1 TIP3 8593 86.729 35.123 37.948 1.00 0.00 WT2 H ATOM 35118 H2 TIP3 8593 86.737 36.547 38.462 1.00 0.00 WT2 H ATOM 35119 OH2 TIP3 8594 68.238 5.309 16.860 1.00 0.00 WT2 O ATOM 35120 H1 TIP3 8594 67.507 5.768 16.445 1.00 0.00 WT2 H ATOM 35121 H2 TIP3 8594 67.969 5.205 17.772 1.00 0.00 WT2 H ATOM 35122 OH2 TIP3 8611 34.137 12.747 23.853 1.00 0.00 WT2 O ATOM 35123 H1 TIP3 8611 34.957 13.122 23.530 1.00 0.00 WT2 H ATOM 35124 H2 TIP3 8611 33.456 13.316 23.495 1.00 0.00 WT2 H ATOM 35125 OH2 TIP3 8613 76.886 89.550 4.410 1.00 0.00 WT2 O ATOM 35126 H1 TIP3 8613 77.365 90.285 4.792 1.00 0.00 WT2 H ATOM 35127 H2 TIP3 8613 77.416 88.782 4.621 1.00 0.00 WT2 H ATOM 35128 OH2 TIP3 8616 70.203 63.236 -1.184 1.00 0.00 WT2 O ATOM 35129 H1 TIP3 8616 70.093 64.092 -0.771 1.00 0.00 WT2 H ATOM 35130 H2 TIP3 8616 69.959 62.608 -0.504 1.00 0.00 WT2 H ATOM 35131 OH2 TIP3 8617 71.647 43.112 58.151 1.00 0.00 WT2 O ATOM 35132 H1 TIP3 8617 72.206 42.982 58.917 1.00 0.00 WT2 H ATOM 35133 H2 TIP3 8617 71.155 43.909 58.345 1.00 0.00 WT2 H ATOM 35134 OH2 TIP3 8618 81.682 16.863 58.077 1.00 0.00 WT2 O ATOM 35135 H1 TIP3 8618 82.187 17.654 57.889 1.00 0.00 WT2 H ATOM 35136 H2 TIP3 8618 82.117 16.474 58.835 1.00 0.00 WT2 H ATOM 35137 OH2 TIP3 8619 89.752 27.223 45.480 1.00 0.00 WT2 O ATOM 35138 H1 TIP3 8619 90.193 27.015 44.656 1.00 0.00 WT2 H ATOM 35139 H2 TIP3 8619 89.517 26.372 45.848 1.00 0.00 WT2 H ATOM 35140 OH2 TIP3 8631 82.960 43.687 50.416 1.00 0.00 WT2 O ATOM 35141 H1 TIP3 8631 83.474 44.264 50.980 1.00 0.00 WT2 H ATOM 35142 H2 TIP3 8631 82.446 44.282 49.869 1.00 0.00 WT2 H ATOM 35143 OH2 TIP3 8632 70.037 45.045 45.386 1.00 0.00 WT2 O ATOM 35144 H1 TIP3 8632 70.408 44.310 44.899 1.00 0.00 WT2 H ATOM 35145 H2 TIP3 8632 70.184 45.805 44.822 1.00 0.00 WT2 H ATOM 35146 OH2 TIP3 8633 50.623 17.840 58.143 1.00 0.00 WT2 O ATOM 35147 H1 TIP3 8633 51.000 18.715 58.240 1.00 0.00 WT2 H ATOM 35148 H2 TIP3 8633 50.170 17.867 57.300 1.00 0.00 WT2 H ATOM 35149 OH2 TIP3 8634 80.271 20.418 40.842 1.00 0.00 WT2 O ATOM 35150 H1 TIP3 8634 80.049 21.164 40.285 1.00 0.00 WT2 H ATOM 35151 H2 TIP3 8634 80.655 20.809 41.626 1.00 0.00 WT2 H ATOM 35152 OH2 TIP3 8636 61.581 50.515 55.156 1.00 0.00 WT2 O ATOM 35153 H1 TIP3 8636 61.368 49.901 54.454 1.00 0.00 WT2 H ATOM 35154 H2 TIP3 8636 60.797 51.058 55.246 1.00 0.00 WT2 H ATOM 35155 OH2 TIP3 8638 28.456 31.039 52.206 1.00 0.00 WT2 O ATOM 35156 H1 TIP3 8638 27.940 31.690 51.731 1.00 0.00 WT2 H ATOM 35157 H2 TIP3 8638 29.054 31.554 52.747 1.00 0.00 WT2 H ATOM 35158 OH2 TIP3 8640 65.680 25.458 39.724 1.00 0.00 WT2 O ATOM 35159 H1 TIP3 8640 66.414 25.014 39.300 1.00 0.00 WT2 H ATOM 35160 H2 TIP3 8640 65.370 24.836 40.382 1.00 0.00 WT2 H ATOM 35161 OH2 TIP3 8653 27.004 38.626 19.264 1.00 0.00 WT2 O ATOM 35162 H1 TIP3 8653 26.740 38.340 20.139 1.00 0.00 WT2 H ATOM 35163 H2 TIP3 8653 26.481 38.089 18.668 1.00 0.00 WT2 H ATOM 35164 OH2 TIP3 8654 71.315 55.998 -9.459 1.00 0.00 WT2 O ATOM 35165 H1 TIP3 8654 71.456 55.523 -10.278 1.00 0.00 WT2 H ATOM 35166 H2 TIP3 8654 72.003 55.679 -8.876 1.00 0.00 WT2 H ATOM 35167 OH2 TIP3 8655 88.191 70.815 33.166 1.00 0.00 WT2 O ATOM 35168 H1 TIP3 8655 88.658 70.359 32.466 1.00 0.00 WT2 H ATOM 35169 H2 TIP3 8655 88.280 71.743 32.949 1.00 0.00 WT2 H ATOM 35170 OH2 TIP3 8656 86.951 13.824 -14.214 1.00 0.00 WT2 O ATOM 35171 H1 TIP3 8656 86.014 13.723 -14.045 1.00 0.00 WT2 H ATOM 35172 H2 TIP3 8656 87.228 14.523 -13.621 1.00 0.00 WT2 H ATOM 35173 OH2 TIP3 8657 29.080 40.201 37.365 1.00 0.00 WT2 O ATOM 35174 H1 TIP3 8657 28.862 41.066 37.019 1.00 0.00 WT2 H ATOM 35175 H2 TIP3 8657 28.321 39.956 37.895 1.00 0.00 WT2 H ATOM 35176 OH2 TIP3 8659 33.416 47.703 66.094 1.00 0.00 WT2 O ATOM 35177 H1 TIP3 8659 33.820 47.052 65.521 1.00 0.00 WT2 H ATOM 35178 H2 TIP3 8659 32.899 47.189 66.714 1.00 0.00 WT2 H ATOM 35179 OH2 TIP3 8660 58.857 60.838 46.802 1.00 0.00 WT2 O ATOM 35180 H1 TIP3 8660 59.767 61.120 46.895 1.00 0.00 WT2 H ATOM 35181 H2 TIP3 8660 58.759 60.130 47.438 1.00 0.00 WT2 H ATOM 35182 OH2 TIP3 8662 87.443 52.240 -2.295 1.00 0.00 WT2 O ATOM 35183 H1 TIP3 8662 87.098 51.697 -3.003 1.00 0.00 WT2 H ATOM 35184 H2 TIP3 8662 86.814 52.131 -1.581 1.00 0.00 WT2 H ATOM 35185 OH2 TIP3 8675 63.105 57.943 50.751 1.00 0.00 WT2 O ATOM 35186 H1 TIP3 8675 62.572 57.983 51.544 1.00 0.00 WT2 H ATOM 35187 H2 TIP3 8675 63.077 57.022 50.489 1.00 0.00 WT2 H ATOM 35188 OH2 TIP3 8676 71.552 87.381 -12.141 1.00 0.00 WT2 O ATOM 35189 H1 TIP3 8676 71.666 86.717 -12.820 1.00 0.00 WT2 H ATOM 35190 H2 TIP3 8676 70.617 87.359 -11.937 1.00 0.00 WT2 H ATOM 35191 OH2 TIP3 8677 35.066 59.885 -16.834 1.00 0.00 WT2 O ATOM 35192 H1 TIP3 8677 35.360 59.941 -17.744 1.00 0.00 WT2 H ATOM 35193 H2 TIP3 8677 35.300 58.999 -16.560 1.00 0.00 WT2 H ATOM 35194 OH2 TIP3 8678 49.999 36.339 -17.718 1.00 0.00 WT2 O ATOM 35195 H1 TIP3 8678 50.712 36.193 -17.096 1.00 0.00 WT2 H ATOM 35196 H2 TIP3 8678 49.830 35.475 -18.096 1.00 0.00 WT2 H ATOM 35197 OH2 TIP3 8679 22.963 46.316 42.993 1.00 0.00 WT2 O ATOM 35198 H1 TIP3 8679 22.041 46.138 42.808 1.00 0.00 WT2 H ATOM 35199 H2 TIP3 8679 23.277 46.784 42.220 1.00 0.00 WT2 H ATOM 35200 OH2 TIP3 8681 36.190 93.812 -5.732 1.00 0.00 WT2 O ATOM 35201 H1 TIP3 8681 35.941 92.942 -6.044 1.00 0.00 WT2 H ATOM 35202 H2 TIP3 8681 35.526 94.032 -5.079 1.00 0.00 WT2 H ATOM 35203 OH2 TIP3 8682 38.737 31.523 -1.793 1.00 0.00 WT2 O ATOM 35204 H1 TIP3 8682 38.130 31.737 -2.501 1.00 0.00 WT2 H ATOM 35205 H2 TIP3 8682 39.598 31.510 -2.211 1.00 0.00 WT2 H ATOM 35206 OH2 TIP3 8683 25.501 8.709 41.083 1.00 0.00 WT2 O ATOM 35207 H1 TIP3 8683 26.452 8.626 41.155 1.00 0.00 WT2 H ATOM 35208 H2 TIP3 8683 25.361 9.121 40.230 1.00 0.00 WT2 H ATOM 35209 OH2 TIP3 8684 79.076 28.754 59.161 1.00 0.00 WT2 O ATOM 35210 H1 TIP3 8684 79.672 28.200 59.665 1.00 0.00 WT2 H ATOM 35211 H2 TIP3 8684 79.176 28.455 58.257 1.00 0.00 WT2 H ATOM 35212 OH2 TIP3 8691 66.861 1.237 -3.663 1.00 0.00 WT2 O ATOM 35213 H1 TIP3 8691 66.511 1.937 -4.214 1.00 0.00 WT2 H ATOM 35214 H2 TIP3 8691 67.394 0.708 -4.257 1.00 0.00 WT2 H ATOM 35215 OH2 TIP3 8694 27.193 78.997 5.539 1.00 0.00 WT2 O ATOM 35216 H1 TIP3 8694 26.312 78.731 5.277 1.00 0.00 WT2 H ATOM 35217 H2 TIP3 8694 27.772 78.374 5.099 1.00 0.00 WT2 H ATOM 35218 OH2 TIP3 8695 71.402 34.977 20.935 1.00 0.00 WT2 O ATOM 35219 H1 TIP3 8695 71.908 34.656 20.188 1.00 0.00 WT2 H ATOM 35220 H2 TIP3 8695 70.933 35.739 20.597 1.00 0.00 WT2 H ATOM 35221 OH2 TIP3 8696 27.861 51.395 43.671 1.00 0.00 WT2 O ATOM 35222 H1 TIP3 8696 28.173 52.201 43.259 1.00 0.00 WT2 H ATOM 35223 H2 TIP3 8696 27.314 50.980 43.003 1.00 0.00 WT2 H ATOM 35224 OH2 TIP3 8697 72.446 1.460 54.804 1.00 0.00 WT2 O ATOM 35225 H1 TIP3 8697 72.373 1.320 53.860 1.00 0.00 WT2 H ATOM 35226 H2 TIP3 8697 72.680 2.384 54.892 1.00 0.00 WT2 H ATOM 35227 OH2 TIP3 8699 38.140 65.660 8.539 1.00 0.00 WT2 O ATOM 35228 H1 TIP3 8699 39.058 65.932 8.526 1.00 0.00 WT2 H ATOM 35229 H2 TIP3 8699 38.172 64.714 8.679 1.00 0.00 WT2 H ATOM 35230 OH2 TIP3 8700 44.871 5.469 44.970 1.00 0.00 WT2 O ATOM 35231 H1 TIP3 8700 44.656 6.279 45.433 1.00 0.00 WT2 H ATOM 35232 H2 TIP3 8700 45.815 5.521 44.821 1.00 0.00 WT2 H ATOM 35233 OH2 TIP3 8702 75.160 41.437 -18.796 1.00 0.00 WT2 O ATOM 35234 H1 TIP3 8702 75.528 41.948 -18.075 1.00 0.00 WT2 H ATOM 35235 H2 TIP3 8702 75.378 40.530 -18.583 1.00 0.00 WT2 H ATOM 35236 OH2 TIP3 8704 52.893 94.022 57.209 1.00 0.00 WT2 O ATOM 35237 H1 TIP3 8704 53.461 94.082 56.441 1.00 0.00 WT2 H ATOM 35238 H2 TIP3 8704 52.022 94.245 56.881 1.00 0.00 WT2 H ATOM 35239 OH2 TIP3 8715 36.919 27.835 22.681 1.00 0.00 WT2 O ATOM 35240 H1 TIP3 8715 36.760 27.186 21.995 1.00 0.00 WT2 H ATOM 35241 H2 TIP3 8715 36.047 28.052 23.012 1.00 0.00 WT2 H ATOM 35242 OH2 TIP3 8716 66.018 43.259 -5.287 1.00 0.00 WT2 O ATOM 35243 H1 TIP3 8716 66.440 43.838 -4.653 1.00 0.00 WT2 H ATOM 35244 H2 TIP3 8716 65.386 43.818 -5.740 1.00 0.00 WT2 H ATOM 35245 OH2 TIP3 8717 57.045 78.808 41.843 1.00 0.00 WT2 O ATOM 35246 H1 TIP3 8717 58.000 78.761 41.796 1.00 0.00 WT2 H ATOM 35247 H2 TIP3 8717 56.749 78.549 40.970 1.00 0.00 WT2 H ATOM 35248 OH2 TIP3 8718 68.315 51.946 30.594 1.00 0.00 WT2 O ATOM 35249 H1 TIP3 8718 67.869 51.161 30.913 1.00 0.00 WT2 H ATOM 35250 H2 TIP3 8718 67.626 52.607 30.537 1.00 0.00 WT2 H ATOM 35251 OH2 TIP3 8720 67.531 56.464 21.001 1.00 0.00 WT2 O ATOM 35252 H1 TIP3 8720 66.865 56.557 20.320 1.00 0.00 WT2 H ATOM 35253 H2 TIP3 8720 67.084 56.005 21.712 1.00 0.00 WT2 H ATOM 35254 OH2 TIP3 8721 70.045 3.387 47.508 1.00 0.00 WT2 O ATOM 35255 H1 TIP3 8721 69.513 2.915 46.867 1.00 0.00 WT2 H ATOM 35256 H2 TIP3 8721 70.659 2.733 47.840 1.00 0.00 WT2 H ATOM 35257 OH2 TIP3 8722 26.653 37.399 21.522 1.00 0.00 WT2 O ATOM 35258 H1 TIP3 8722 27.558 37.122 21.666 1.00 0.00 WT2 H ATOM 35259 H2 TIP3 8722 26.128 36.634 21.759 1.00 0.00 WT2 H ATOM 35260 OH2 TIP3 8737 63.790 88.635 52.402 1.00 0.00 WT2 O ATOM 35261 H1 TIP3 8737 63.792 88.833 51.466 1.00 0.00 WT2 H ATOM 35262 H2 TIP3 8737 64.619 88.181 52.554 1.00 0.00 WT2 H ATOM 35263 OH2 TIP3 8739 49.830 36.286 -12.999 1.00 0.00 WT2 O ATOM 35264 H1 TIP3 8739 49.156 36.217 -13.675 1.00 0.00 WT2 H ATOM 35265 H2 TIP3 8739 49.375 36.662 -12.245 1.00 0.00 WT2 H ATOM 35266 OH2 TIP3 8740 83.991 68.929 66.580 1.00 0.00 WT2 O ATOM 35267 H1 TIP3 8740 83.487 69.553 67.102 1.00 0.00 WT2 H ATOM 35268 H2 TIP3 8740 83.509 68.105 66.658 1.00 0.00 WT2 H ATOM 35269 OH2 TIP3 8741 78.355 56.426 24.474 1.00 0.00 WT2 O ATOM 35270 H1 TIP3 8741 77.484 56.804 24.348 1.00 0.00 WT2 H ATOM 35271 H2 TIP3 8741 78.194 55.492 24.609 1.00 0.00 WT2 H ATOM 35272 OH2 TIP3 8742 71.268 20.806 39.674 1.00 0.00 WT2 O ATOM 35273 H1 TIP3 8742 70.801 20.678 38.848 1.00 0.00 WT2 H ATOM 35274 H2 TIP3 8742 72.085 21.236 39.423 1.00 0.00 WT2 H ATOM 35275 OH2 TIP3 8743 24.611 1.702 33.326 1.00 0.00 WT2 O ATOM 35276 H1 TIP3 8743 24.711 2.648 33.431 1.00 0.00 WT2 H ATOM 35277 H2 TIP3 8743 24.841 1.340 34.181 1.00 0.00 WT2 H ATOM 35278 OH2 TIP3 8744 49.062 35.654 56.285 1.00 0.00 WT2 O ATOM 35279 H1 TIP3 8744 48.906 35.345 55.393 1.00 0.00 WT2 H ATOM 35280 H2 TIP3 8744 49.542 36.475 56.174 1.00 0.00 WT2 H ATOM 35281 OH2 TIP3 8746 46.630 35.709 19.004 1.00 0.00 WT2 O ATOM 35282 H1 TIP3 8746 46.092 35.399 18.276 1.00 0.00 WT2 H ATOM 35283 H2 TIP3 8746 47.474 35.273 18.881 1.00 0.00 WT2 H ATOM 35284 OH2 TIP3 8754 40.724 60.804 45.979 1.00 0.00 WT2 O ATOM 35285 H1 TIP3 8754 41.130 60.090 45.487 1.00 0.00 WT2 H ATOM 35286 H2 TIP3 8754 41.076 61.600 45.580 1.00 0.00 WT2 H ATOM 35287 OH2 TIP3 8757 63.199 48.848 33.635 1.00 0.00 WT2 O ATOM 35288 H1 TIP3 8757 62.267 48.972 33.457 1.00 0.00 WT2 H ATOM 35289 H2 TIP3 8757 63.439 48.072 33.127 1.00 0.00 WT2 H ATOM 35290 OH2 TIP3 8759 25.181 48.587 -16.499 1.00 0.00 WT2 O ATOM 35291 H1 TIP3 8759 25.634 48.757 -15.673 1.00 0.00 WT2 H ATOM 35292 H2 TIP3 8759 25.730 49.002 -17.164 1.00 0.00 WT2 H ATOM 35293 OH2 TIP3 8760 83.658 10.094 1.620 1.00 0.00 WT2 O ATOM 35294 H1 TIP3 8760 83.917 10.072 0.699 1.00 0.00 WT2 H ATOM 35295 H2 TIP3 8760 83.524 9.176 1.854 1.00 0.00 WT2 H ATOM 35296 OH2 TIP3 8761 37.988 48.526 -16.839 1.00 0.00 WT2 O ATOM 35297 H1 TIP3 8761 37.773 49.356 -17.263 1.00 0.00 WT2 H ATOM 35298 H2 TIP3 8761 38.759 48.208 -17.308 1.00 0.00 WT2 H ATOM 35299 OH2 TIP3 8763 75.553 52.903 67.059 1.00 0.00 WT2 O ATOM 35300 H1 TIP3 8763 74.810 53.335 67.481 1.00 0.00 WT2 H ATOM 35301 H2 TIP3 8763 76.136 53.620 66.808 1.00 0.00 WT2 H ATOM 35302 OH2 TIP3 8764 52.464 63.405 -14.173 1.00 0.00 WT2 O ATOM 35303 H1 TIP3 8764 52.762 63.875 -13.394 1.00 0.00 WT2 H ATOM 35304 H2 TIP3 8764 53.266 63.213 -14.659 1.00 0.00 WT2 H ATOM 35305 OH2 TIP3 8767 25.070 93.097 28.768 1.00 0.00 WT2 O ATOM 35306 H1 TIP3 8767 24.445 92.456 29.108 1.00 0.00 WT2 H ATOM 35307 H2 TIP3 8767 24.964 93.860 29.336 1.00 0.00 WT2 H ATOM 35308 OH2 TIP3 8777 70.716 67.447 59.484 1.00 0.00 WT2 O ATOM 35309 H1 TIP3 8777 70.691 66.632 59.987 1.00 0.00 WT2 H ATOM 35310 H2 TIP3 8777 69.796 67.665 59.336 1.00 0.00 WT2 H ATOM 35311 OH2 TIP3 8778 50.831 90.118 24.126 1.00 0.00 WT2 O ATOM 35312 H1 TIP3 8778 51.375 89.506 24.621 1.00 0.00 WT2 H ATOM 35313 H2 TIP3 8778 50.380 90.633 24.796 1.00 0.00 WT2 H ATOM 35314 OH2 TIP3 8780 80.921 92.923 60.934 1.00 0.00 WT2 O ATOM 35315 H1 TIP3 8780 81.107 92.373 60.173 1.00 0.00 WT2 H ATOM 35316 H2 TIP3 8780 81.742 92.937 61.426 1.00 0.00 WT2 H ATOM 35317 OH2 TIP3 8783 34.305 30.329 -12.393 1.00 0.00 WT2 O ATOM 35318 H1 TIP3 8783 34.730 31.097 -12.009 1.00 0.00 WT2 H ATOM 35319 H2 TIP3 8783 33.843 29.919 -11.663 1.00 0.00 WT2 H ATOM 35320 OH2 TIP3 8785 83.740 22.852 44.767 1.00 0.00 WT2 O ATOM 35321 H1 TIP3 8785 83.881 23.477 45.478 1.00 0.00 WT2 H ATOM 35322 H2 TIP3 8785 84.535 22.909 44.237 1.00 0.00 WT2 H ATOM 35323 OH2 TIP3 8786 83.884 76.183 55.881 1.00 0.00 WT2 O ATOM 35324 H1 TIP3 8786 84.542 76.749 55.477 1.00 0.00 WT2 H ATOM 35325 H2 TIP3 8786 83.175 76.777 56.127 1.00 0.00 WT2 H ATOM 35326 OH2 TIP3 8787 50.345 5.848 4.809 1.00 0.00 WT2 O ATOM 35327 H1 TIP3 8787 50.967 5.823 4.082 1.00 0.00 WT2 H ATOM 35328 H2 TIP3 8787 49.720 5.150 4.614 1.00 0.00 WT2 H ATOM 35329 OH2 TIP3 8790 49.957 35.355 -1.680 1.00 0.00 WT2 O ATOM 35330 H1 TIP3 8790 49.963 36.207 -1.244 1.00 0.00 WT2 H ATOM 35331 H2 TIP3 8790 50.754 34.922 -1.372 1.00 0.00 WT2 H ATOM 35332 OH2 TIP3 8797 26.833 56.192 -7.365 1.00 0.00 WT2 O ATOM 35333 H1 TIP3 8797 26.242 55.453 -7.505 1.00 0.00 WT2 H ATOM 35334 H2 TIP3 8797 26.306 56.836 -6.892 1.00 0.00 WT2 H ATOM 35335 OH2 TIP3 8800 41.948 80.103 -17.812 1.00 0.00 WT2 O ATOM 35336 H1 TIP3 8800 42.518 80.599 -17.224 1.00 0.00 WT2 H ATOM 35337 H2 TIP3 8800 41.360 79.623 -17.228 1.00 0.00 WT2 H ATOM 35338 OH2 TIP3 8801 33.522 18.088 50.972 1.00 0.00 WT2 O ATOM 35339 H1 TIP3 8801 34.094 18.145 50.207 1.00 0.00 WT2 H ATOM 35340 H2 TIP3 8801 33.402 17.148 51.112 1.00 0.00 WT2 H ATOM 35341 OH2 TIP3 8802 86.271 59.053 64.750 1.00 0.00 WT2 O ATOM 35342 H1 TIP3 8802 86.202 58.192 65.162 1.00 0.00 WT2 H ATOM 35343 H2 TIP3 8802 85.901 58.931 63.876 1.00 0.00 WT2 H ATOM 35344 OH2 TIP3 8803 69.520 2.846 32.474 1.00 0.00 WT2 O ATOM 35345 H1 TIP3 8803 69.164 3.501 31.873 1.00 0.00 WT2 H ATOM 35346 H2 TIP3 8803 69.678 2.078 31.926 1.00 0.00 WT2 H ATOM 35347 OH2 TIP3 8804 62.717 76.518 65.300 1.00 0.00 WT2 O ATOM 35348 H1 TIP3 8804 62.564 75.589 65.130 1.00 0.00 WT2 H ATOM 35349 H2 TIP3 8804 62.724 76.590 66.254 1.00 0.00 WT2 H ATOM 35350 OH2 TIP3 8806 29.946 27.519 47.920 1.00 0.00 WT2 O ATOM 35351 H1 TIP3 8806 29.495 26.711 48.163 1.00 0.00 WT2 H ATOM 35352 H2 TIP3 8806 29.588 27.746 47.061 1.00 0.00 WT2 H ATOM 35353 OH2 TIP3 8808 42.391 74.599 -13.606 1.00 0.00 WT2 O ATOM 35354 H1 TIP3 8808 42.241 73.819 -13.073 1.00 0.00 WT2 H ATOM 35355 H2 TIP3 8808 43.010 75.122 -13.097 1.00 0.00 WT2 H ATOM 35356 OH2 TIP3 8809 56.332 62.515 56.647 1.00 0.00 WT2 O ATOM 35357 H1 TIP3 8809 56.710 61.697 56.323 1.00 0.00 WT2 H ATOM 35358 H2 TIP3 8809 55.463 62.552 56.249 1.00 0.00 WT2 H ATOM 35359 OH2 TIP3 8811 71.301 55.643 32.028 1.00 0.00 WT2 O ATOM 35360 H1 TIP3 8811 70.991 56.325 31.432 1.00 0.00 WT2 H ATOM 35361 H2 TIP3 8811 71.105 54.822 31.577 1.00 0.00 WT2 H ATOM 35362 OH2 TIP3 8819 30.384 34.885 -13.367 1.00 0.00 WT2 O ATOM 35363 H1 TIP3 8819 29.623 35.311 -13.761 1.00 0.00 WT2 H ATOM 35364 H2 TIP3 8819 30.834 35.587 -12.896 1.00 0.00 WT2 H ATOM 35365 OH2 TIP3 8820 45.144 15.992 20.746 1.00 0.00 WT2 O ATOM 35366 H1 TIP3 8820 44.581 16.766 20.705 1.00 0.00 WT2 H ATOM 35367 H2 TIP3 8820 45.824 16.155 20.093 1.00 0.00 WT2 H ATOM 35368 OH2 TIP3 8822 25.475 5.843 37.658 1.00 0.00 WT2 O ATOM 35369 H1 TIP3 8822 25.687 5.524 38.535 1.00 0.00 WT2 H ATOM 35370 H2 TIP3 8822 26.270 5.685 37.147 1.00 0.00 WT2 H ATOM 35371 OH2 TIP3 8823 70.095 86.173 49.338 1.00 0.00 WT2 O ATOM 35372 H1 TIP3 8823 70.417 85.315 49.616 1.00 0.00 WT2 H ATOM 35373 H2 TIP3 8823 69.178 86.185 49.609 1.00 0.00 WT2 H ATOM 35374 OH2 TIP3 8827 84.118 78.085 -13.524 1.00 0.00 WT2 O ATOM 35375 H1 TIP3 8827 84.953 78.526 -13.365 1.00 0.00 WT2 H ATOM 35376 H2 TIP3 8827 83.456 78.734 -13.288 1.00 0.00 WT2 H ATOM 35377 OH2 TIP3 8829 22.465 79.954 16.987 1.00 0.00 WT2 O ATOM 35378 H1 TIP3 8829 22.766 80.861 16.949 1.00 0.00 WT2 H ATOM 35379 H2 TIP3 8829 21.630 79.997 17.452 1.00 0.00 WT2 H ATOM 35380 OH2 TIP3 8830 20.695 14.495 -12.046 1.00 0.00 WT2 O ATOM 35381 H1 TIP3 8830 20.994 15.180 -12.643 1.00 0.00 WT2 H ATOM 35382 H2 TIP3 8830 20.409 14.966 -11.263 1.00 0.00 WT2 H ATOM 35383 OH2 TIP3 8842 44.027 11.301 33.353 1.00 0.00 WT2 O ATOM 35384 H1 TIP3 8842 43.190 11.054 32.960 1.00 0.00 WT2 H ATOM 35385 H2 TIP3 8842 44.658 11.236 32.636 1.00 0.00 WT2 H ATOM 35386 OH2 TIP3 8843 78.842 83.148 -16.238 1.00 0.00 WT2 O ATOM 35387 H1 TIP3 8843 79.506 83.411 -16.875 1.00 0.00 WT2 H ATOM 35388 H2 TIP3 8843 78.859 83.839 -15.575 1.00 0.00 WT2 H ATOM 35389 OH2 TIP3 8844 46.296 84.291 40.343 1.00 0.00 WT2 O ATOM 35390 H1 TIP3 8844 47.089 84.608 40.774 1.00 0.00 WT2 H ATOM 35391 H2 TIP3 8844 46.593 83.997 39.482 1.00 0.00 WT2 H ATOM 35392 OH2 TIP3 8845 73.598 32.486 47.744 1.00 0.00 WT2 O ATOM 35393 H1 TIP3 8845 72.839 32.505 48.326 1.00 0.00 WT2 H ATOM 35394 H2 TIP3 8845 73.249 32.192 46.903 1.00 0.00 WT2 H ATOM 35395 OH2 TIP3 8846 25.261 21.218 -15.339 1.00 0.00 WT2 O ATOM 35396 H1 TIP3 8846 24.644 20.581 -14.977 1.00 0.00 WT2 H ATOM 35397 H2 TIP3 8846 25.640 21.648 -14.572 1.00 0.00 WT2 H ATOM 35398 OH2 TIP3 8847 25.763 93.818 -8.288 1.00 0.00 WT2 O ATOM 35399 H1 TIP3 8847 25.521 94.672 -7.930 1.00 0.00 WT2 H ATOM 35400 H2 TIP3 8847 25.159 93.203 -7.870 1.00 0.00 WT2 H ATOM 35401 OH2 TIP3 8849 56.168 76.111 43.285 1.00 0.00 WT2 O ATOM 35402 H1 TIP3 8849 56.554 76.953 43.528 1.00 0.00 WT2 H ATOM 35403 H2 TIP3 8849 56.011 76.182 42.343 1.00 0.00 WT2 H ATOM 35404 OH2 TIP3 8863 66.606 82.448 58.827 1.00 0.00 WT2 O ATOM 35405 H1 TIP3 8863 67.516 82.250 59.045 1.00 0.00 WT2 H ATOM 35406 H2 TIP3 8863 66.384 83.196 59.382 1.00 0.00 WT2 H ATOM 35407 OH2 TIP3 8865 30.081 46.307 48.490 1.00 0.00 WT2 O ATOM 35408 H1 TIP3 8865 29.729 46.301 47.600 1.00 0.00 WT2 H ATOM 35409 H2 TIP3 8865 30.968 46.652 48.395 1.00 0.00 WT2 H ATOM 35410 OH2 TIP3 8866 87.761 18.642 -3.157 1.00 0.00 WT2 O ATOM 35411 H1 TIP3 8866 88.457 18.006 -2.993 1.00 0.00 WT2 H ATOM 35412 H2 TIP3 8866 87.011 18.310 -2.662 1.00 0.00 WT2 H ATOM 35413 OH2 TIP3 8867 57.518 79.446 -1.532 1.00 0.00 WT2 O ATOM 35414 H1 TIP3 8867 56.627 79.199 -1.284 1.00 0.00 WT2 H ATOM 35415 H2 TIP3 8867 58.071 79.064 -0.851 1.00 0.00 WT2 H ATOM 35416 OH2 TIP3 8868 87.801 60.124 40.600 1.00 0.00 WT2 O ATOM 35417 H1 TIP3 8868 88.476 60.799 40.527 1.00 0.00 WT2 H ATOM 35418 H2 TIP3 8868 87.027 60.592 40.912 1.00 0.00 WT2 H ATOM 35419 OH2 TIP3 8869 78.497 62.698 21.763 1.00 0.00 WT2 O ATOM 35420 H1 TIP3 8869 77.789 63.024 22.318 1.00 0.00 WT2 H ATOM 35421 H2 TIP3 8869 78.424 63.208 20.956 1.00 0.00 WT2 H ATOM 35422 OH2 TIP3 8883 71.877 49.985 59.905 1.00 0.00 WT2 O ATOM 35423 H1 TIP3 8883 71.057 50.182 59.452 1.00 0.00 WT2 H ATOM 35424 H2 TIP3 8883 72.321 49.356 59.335 1.00 0.00 WT2 H ATOM 35425 OH2 TIP3 8884 33.321 39.521 -19.832 1.00 0.00 WT2 O ATOM 35426 H1 TIP3 8884 34.012 39.976 -19.350 1.00 0.00 WT2 H ATOM 35427 H2 TIP3 8884 32.549 40.077 -19.727 1.00 0.00 WT2 H ATOM 35428 OH2 TIP3 8885 23.809 41.915 49.507 1.00 0.00 WT2 O ATOM 35429 H1 TIP3 8885 24.575 42.451 49.716 1.00 0.00 WT2 H ATOM 35430 H2 TIP3 8885 23.831 41.205 50.149 1.00 0.00 WT2 H ATOM 35431 OH2 TIP3 8886 79.094 1.497 9.082 1.00 0.00 WT2 O ATOM 35432 H1 TIP3 8886 79.628 1.182 9.811 1.00 0.00 WT2 H ATOM 35433 H2 TIP3 8886 79.519 2.310 8.807 1.00 0.00 WT2 H ATOM 35434 OH2 TIP3 8887 25.892 46.363 59.520 1.00 0.00 WT2 O ATOM 35435 H1 TIP3 8887 26.062 46.965 58.795 1.00 0.00 WT2 H ATOM 35436 H2 TIP3 8887 26.558 46.579 60.173 1.00 0.00 WT2 H ATOM 35437 OH2 TIP3 8889 67.537 64.863 -4.201 1.00 0.00 WT2 O ATOM 35438 H1 TIP3 8889 68.053 64.058 -4.233 1.00 0.00 WT2 H ATOM 35439 H2 TIP3 8889 66.877 64.699 -3.528 1.00 0.00 WT2 H ATOM 35440 OH2 TIP3 8890 75.026 17.878 -5.681 1.00 0.00 WT2 O ATOM 35441 H1 TIP3 8890 74.375 18.418 -5.232 1.00 0.00 WT2 H ATOM 35442 H2 TIP3 8890 75.518 18.495 -6.222 1.00 0.00 WT2 H ATOM 35443 OH2 TIP3 8891 89.364 80.241 8.648 1.00 0.00 WT2 O ATOM 35444 H1 TIP3 8891 88.897 80.367 9.474 1.00 0.00 WT2 H ATOM 35445 H2 TIP3 8891 90.196 79.840 8.901 1.00 0.00 WT2 H ATOM 35446 OH2 TIP3 8901 31.321 92.339 -3.378 1.00 0.00 WT2 O ATOM 35447 H1 TIP3 8901 31.984 92.461 -2.698 1.00 0.00 WT2 H ATOM 35448 H2 TIP3 8901 31.747 92.632 -4.183 1.00 0.00 WT2 H ATOM 35449 OH2 TIP3 8903 55.507 53.016 52.452 1.00 0.00 WT2 O ATOM 35450 H1 TIP3 8903 55.841 53.836 52.815 1.00 0.00 WT2 H ATOM 35451 H2 TIP3 8903 54.734 53.272 51.950 1.00 0.00 WT2 H ATOM 35452 OH2 TIP3 8905 71.176 6.506 9.861 1.00 0.00 WT2 O ATOM 35453 H1 TIP3 8905 71.009 6.254 10.769 1.00 0.00 WT2 H ATOM 35454 H2 TIP3 8905 71.200 7.463 9.878 1.00 0.00 WT2 H ATOM 35455 OH2 TIP3 8906 86.300 51.753 64.031 1.00 0.00 WT2 O ATOM 35456 H1 TIP3 8906 87.204 51.448 64.108 1.00 0.00 WT2 H ATOM 35457 H2 TIP3 8906 86.204 51.990 63.109 1.00 0.00 WT2 H ATOM 35458 OH2 TIP3 8907 64.880 11.525 55.337 1.00 0.00 WT2 O ATOM 35459 H1 TIP3 8907 64.913 11.105 56.196 1.00 0.00 WT2 H ATOM 35460 H2 TIP3 8907 65.783 11.796 55.168 1.00 0.00 WT2 H ATOM 35461 OH2 TIP3 8908 73.261 5.391 44.575 1.00 0.00 WT2 O ATOM 35462 H1 TIP3 8908 73.543 6.304 44.635 1.00 0.00 WT2 H ATOM 35463 H2 TIP3 8908 72.837 5.215 45.414 1.00 0.00 WT2 H ATOM 35464 OH2 TIP3 8909 83.613 96.540 39.679 1.00 0.00 WT2 O ATOM 35465 H1 TIP3 8909 84.472 96.163 39.489 1.00 0.00 WT2 H ATOM 35466 H2 TIP3 8909 83.151 95.853 40.160 1.00 0.00 WT2 H ATOM 35467 OH2 TIP3 8911 51.138 29.810 46.035 1.00 0.00 WT2 O ATOM 35468 H1 TIP3 8911 51.184 28.945 45.629 1.00 0.00 WT2 H ATOM 35469 H2 TIP3 8911 50.201 29.993 46.106 1.00 0.00 WT2 H ATOM 35470 OH2 TIP3 8913 36.872 85.881 31.348 1.00 0.00 WT2 O ATOM 35471 H1 TIP3 8913 36.709 85.045 30.911 1.00 0.00 WT2 H ATOM 35472 H2 TIP3 8913 36.558 86.540 30.729 1.00 0.00 WT2 H ATOM 35473 OH2 TIP3 8914 49.826 85.337 10.115 1.00 0.00 WT2 O ATOM 35474 H1 TIP3 8914 49.795 85.948 10.851 1.00 0.00 WT2 H ATOM 35475 H2 TIP3 8914 49.924 84.476 10.522 1.00 0.00 WT2 H ATOM 35476 OH2 TIP3 8925 65.401 93.031 32.125 1.00 0.00 WT2 O ATOM 35477 H1 TIP3 8925 64.654 92.524 32.444 1.00 0.00 WT2 H ATOM 35478 H2 TIP3 8925 65.301 93.889 32.536 1.00 0.00 WT2 H ATOM 35479 OH2 TIP3 8926 24.921 13.310 -15.667 1.00 0.00 WT2 O ATOM 35480 H1 TIP3 8926 24.127 13.451 -16.182 1.00 0.00 WT2 H ATOM 35481 H2 TIP3 8926 25.137 14.175 -15.319 1.00 0.00 WT2 H ATOM 35482 OH2 TIP3 8927 24.260 44.524 64.775 1.00 0.00 WT2 O ATOM 35483 H1 TIP3 8927 24.372 45.024 63.966 1.00 0.00 WT2 H ATOM 35484 H2 TIP3 8927 24.266 45.185 65.468 1.00 0.00 WT2 H ATOM 35485 OH2 TIP3 8929 60.131 20.548 64.234 1.00 0.00 WT2 O ATOM 35486 H1 TIP3 8929 60.739 19.867 63.948 1.00 0.00 WT2 H ATOM 35487 H2 TIP3 8929 59.432 20.536 63.580 1.00 0.00 WT2 H ATOM 35488 OH2 TIP3 8930 32.350 88.680 13.087 1.00 0.00 WT2 O ATOM 35489 H1 TIP3 8930 32.010 89.529 12.805 1.00 0.00 WT2 H ATOM 35490 H2 TIP3 8930 33.113 88.894 13.624 1.00 0.00 WT2 H ATOM 35491 OH2 TIP3 8931 80.662 1.962 48.982 1.00 0.00 WT2 O ATOM 35492 H1 TIP3 8931 80.955 2.864 49.115 1.00 0.00 WT2 H ATOM 35493 H2 TIP3 8931 80.864 1.777 48.064 1.00 0.00 WT2 H ATOM 35494 OH2 TIP3 8932 70.530 91.439 -5.524 1.00 0.00 WT2 O ATOM 35495 H1 TIP3 8932 69.633 91.225 -5.267 1.00 0.00 WT2 H ATOM 35496 H2 TIP3 8932 70.457 91.723 -6.435 1.00 0.00 WT2 H ATOM 35497 OH2 TIP3 8935 68.358 5.944 -10.093 1.00 0.00 WT2 O ATOM 35498 H1 TIP3 8935 68.993 6.027 -10.804 1.00 0.00 WT2 H ATOM 35499 H2 TIP3 8935 68.687 5.219 -9.561 1.00 0.00 WT2 H ATOM 35500 OH2 TIP3 8944 66.414 27.039 6.354 1.00 0.00 WT2 O ATOM 35501 H1 TIP3 8944 66.450 27.966 6.119 1.00 0.00 WT2 H ATOM 35502 H2 TIP3 8944 67.317 26.811 6.573 1.00 0.00 WT2 H ATOM 35503 OH2 TIP3 8949 73.966 33.459 16.524 1.00 0.00 WT2 O ATOM 35504 H1 TIP3 8949 74.527 32.941 17.100 1.00 0.00 WT2 H ATOM 35505 H2 TIP3 8949 73.450 32.810 16.044 1.00 0.00 WT2 H ATOM 35506 OH2 TIP3 8950 32.861 62.721 -10.438 1.00 0.00 WT2 O ATOM 35507 H1 TIP3 8950 32.762 61.910 -9.941 1.00 0.00 WT2 H ATOM 35508 H2 TIP3 8950 31.988 62.894 -10.792 1.00 0.00 WT2 H ATOM 35509 OH2 TIP3 8951 39.383 29.721 18.920 1.00 0.00 WT2 O ATOM 35510 H1 TIP3 8951 38.470 29.545 18.696 1.00 0.00 WT2 H ATOM 35511 H2 TIP3 8951 39.449 29.499 19.849 1.00 0.00 WT2 H ATOM 35512 OH2 TIP3 8953 38.317 95.829 16.135 1.00 0.00 WT2 O ATOM 35513 H1 TIP3 8953 37.383 95.674 16.271 1.00 0.00 WT2 H ATOM 35514 H2 TIP3 8953 38.747 95.335 16.834 1.00 0.00 WT2 H ATOM 35515 OH2 TIP3 8954 58.804 0.790 -16.558 1.00 0.00 WT2 O ATOM 35516 H1 TIP3 8954 58.063 1.270 -16.187 1.00 0.00 WT2 H ATOM 35517 H2 TIP3 8954 58.573 -0.132 -16.447 1.00 0.00 WT2 H ATOM 35518 OH2 TIP3 8967 79.905 93.680 6.440 1.00 0.00 WT2 O ATOM 35519 H1 TIP3 8967 80.654 94.115 6.846 1.00 0.00 WT2 H ATOM 35520 H2 TIP3 8967 79.484 94.363 5.918 1.00 0.00 WT2 H ATOM 35521 OH2 TIP3 8969 79.462 7.695 64.738 1.00 0.00 WT2 O ATOM 35522 H1 TIP3 8969 78.702 8.248 64.558 1.00 0.00 WT2 H ATOM 35523 H2 TIP3 8969 80.213 8.227 64.477 1.00 0.00 WT2 H ATOM 35524 OH2 TIP3 8970 43.964 83.682 67.214 1.00 0.00 WT2 O ATOM 35525 H1 TIP3 8970 43.512 84.522 67.299 1.00 0.00 WT2 H ATOM 35526 H2 TIP3 8970 44.551 83.800 66.468 1.00 0.00 WT2 H ATOM 35527 OH2 TIP3 8972 54.510 32.416 62.043 1.00 0.00 WT2 O ATOM 35528 H1 TIP3 8972 54.063 31.574 61.951 1.00 0.00 WT2 H ATOM 35529 H2 TIP3 8972 55.433 32.214 61.892 1.00 0.00 WT2 H ATOM 35530 OH2 TIP3 8973 41.320 44.562 48.674 1.00 0.00 WT2 O ATOM 35531 H1 TIP3 8973 40.899 43.721 48.495 1.00 0.00 WT2 H ATOM 35532 H2 TIP3 8973 42.107 44.557 48.128 1.00 0.00 WT2 H ATOM 35533 OH2 TIP3 8974 88.991 51.828 61.123 1.00 0.00 WT2 O ATOM 35534 H1 TIP3 8974 89.872 51.708 60.768 1.00 0.00 WT2 H ATOM 35535 H2 TIP3 8974 88.517 52.298 60.436 1.00 0.00 WT2 H ATOM 35536 OH2 TIP3 8975 67.652 73.870 -4.812 1.00 0.00 WT2 O ATOM 35537 H1 TIP3 8975 68.179 73.367 -4.191 1.00 0.00 WT2 H ATOM 35538 H2 TIP3 8975 66.758 73.805 -4.475 1.00 0.00 WT2 H ATOM 35539 OH2 TIP3 8976 46.477 42.786 66.763 1.00 0.00 WT2 O ATOM 35540 H1 TIP3 8976 45.521 42.782 66.811 1.00 0.00 WT2 H ATOM 35541 H2 TIP3 8976 46.759 43.093 67.624 1.00 0.00 WT2 H ATOM 35542 OH2 TIP3 8977 70.975 32.751 -20.137 1.00 0.00 WT2 O ATOM 35543 H1 TIP3 8977 71.191 33.228 -19.336 1.00 0.00 WT2 H ATOM 35544 H2 TIP3 8977 70.786 31.860 -19.841 1.00 0.00 WT2 H ATOM 35545 OH2 TIP3 8978 76.433 48.241 11.949 1.00 0.00 WT2 O ATOM 35546 H1 TIP3 8978 76.120 48.532 12.806 1.00 0.00 WT2 H ATOM 35547 H2 TIP3 8978 77.353 48.505 11.928 1.00 0.00 WT2 H ATOM 35548 OH2 TIP3 8988 25.235 23.503 42.421 1.00 0.00 WT2 O ATOM 35549 H1 TIP3 8988 26.155 23.579 42.676 1.00 0.00 WT2 H ATOM 35550 H2 TIP3 8988 25.146 22.602 42.109 1.00 0.00 WT2 H ATOM 35551 OH2 TIP3 8990 31.128 55.718 5.991 1.00 0.00 WT2 O ATOM 35552 H1 TIP3 8990 31.516 55.966 6.830 1.00 0.00 WT2 H ATOM 35553 H2 TIP3 8990 31.656 54.978 5.692 1.00 0.00 WT2 H ATOM 35554 OH2 TIP3 8991 88.935 28.564 57.767 1.00 0.00 WT2 O ATOM 35555 H1 TIP3 8991 88.364 29.320 57.632 1.00 0.00 WT2 H ATOM 35556 H2 TIP3 8991 89.216 28.636 58.680 1.00 0.00 WT2 H ATOM 35557 OH2 TIP3 8992 64.927 75.816 0.167 1.00 0.00 WT2 O ATOM 35558 H1 TIP3 8992 64.010 75.630 0.370 1.00 0.00 WT2 H ATOM 35559 H2 TIP3 8992 65.396 75.621 0.979 1.00 0.00 WT2 H ATOM 35560 OH2 TIP3 8995 39.548 46.949 48.511 1.00 0.00 WT2 O ATOM 35561 H1 TIP3 8995 38.668 46.580 48.596 1.00 0.00 WT2 H ATOM 35562 H2 TIP3 8995 40.106 46.196 48.320 1.00 0.00 WT2 H ATOM 35563 OH2 TIP3 8996 80.748 64.592 19.508 1.00 0.00 WT2 O ATOM 35564 H1 TIP3 8996 80.758 65.548 19.543 1.00 0.00 WT2 H ATOM 35565 H2 TIP3 8996 79.984 64.379 18.973 1.00 0.00 WT2 H ATOM 35566 OH2 TIP3 8997 80.255 78.055 17.412 1.00 0.00 WT2 O ATOM 35567 H1 TIP3 8997 80.383 78.648 18.152 1.00 0.00 WT2 H ATOM 35568 H2 TIP3 8997 79.749 77.327 17.773 1.00 0.00 WT2 H ATOM 35569 OH2 TIP3 8999 78.538 40.130 -16.264 1.00 0.00 WT2 O ATOM 35570 H1 TIP3 8999 78.407 41.078 -16.297 1.00 0.00 WT2 H ATOM 35571 H2 TIP3 8999 78.966 39.918 -17.093 1.00 0.00 WT2 H ATOM 35572 OH2 TIP3 9008 24.952 9.003 8.851 1.00 0.00 WT2 O ATOM 35573 H1 TIP3 9008 24.001 8.896 8.831 1.00 0.00 WT2 H ATOM 35574 H2 TIP3 9008 25.254 8.349 9.481 1.00 0.00 WT2 H ATOM 35575 OH2 TIP3 9009 28.185 66.170 -13.132 1.00 0.00 WT2 O ATOM 35576 H1 TIP3 9009 27.836 67.012 -12.841 1.00 0.00 WT2 H ATOM 35577 H2 TIP3 9009 28.537 66.344 -14.005 1.00 0.00 WT2 H ATOM 35578 OH2 TIP3 9013 32.592 10.941 -18.184 1.00 0.00 WT2 O ATOM 35579 H1 TIP3 9013 31.748 10.568 -17.929 1.00 0.00 WT2 H ATOM 35580 H2 TIP3 9013 32.523 11.869 -17.957 1.00 0.00 WT2 H ATOM 35581 OH2 TIP3 9014 58.086 62.170 63.253 1.00 0.00 WT2 O ATOM 35582 H1 TIP3 9014 57.978 62.365 64.184 1.00 0.00 WT2 H ATOM 35583 H2 TIP3 9014 57.420 61.509 63.067 1.00 0.00 WT2 H ATOM 35584 OH2 TIP3 9015 42.652 5.332 35.102 1.00 0.00 WT2 O ATOM 35585 H1 TIP3 9015 42.737 4.705 35.820 1.00 0.00 WT2 H ATOM 35586 H2 TIP3 9015 42.950 4.853 34.329 1.00 0.00 WT2 H ATOM 35587 OH2 TIP3 9016 39.754 19.336 -4.990 1.00 0.00 WT2 O ATOM 35588 H1 TIP3 9016 40.124 20.219 -5.023 1.00 0.00 WT2 H ATOM 35589 H2 TIP3 9016 39.126 19.312 -5.712 1.00 0.00 WT2 H ATOM 35590 OH2 TIP3 9019 60.189 91.299 43.880 1.00 0.00 WT2 O ATOM 35591 H1 TIP3 9019 59.889 91.181 44.782 1.00 0.00 WT2 H ATOM 35592 H2 TIP3 9019 61.124 91.488 43.961 1.00 0.00 WT2 H ATOM 35593 OH2 TIP3 9024 48.933 7.750 -18.554 1.00 0.00 WT2 O ATOM 35594 H1 TIP3 9024 48.939 7.065 -19.222 1.00 0.00 WT2 H ATOM 35595 H2 TIP3 9024 48.637 7.307 -17.758 1.00 0.00 WT2 H ATOM 35596 OH2 TIP3 9031 66.092 51.177 20.159 1.00 0.00 WT2 O ATOM 35597 H1 TIP3 9031 66.070 50.806 19.276 1.00 0.00 WT2 H ATOM 35598 H2 TIP3 9031 65.190 51.451 20.326 1.00 0.00 WT2 H ATOM 35599 OH2 TIP3 9033 65.121 12.449 59.909 1.00 0.00 WT2 O ATOM 35600 H1 TIP3 9033 65.901 12.571 59.367 1.00 0.00 WT2 H ATOM 35601 H2 TIP3 9033 65.291 11.642 60.396 1.00 0.00 WT2 H ATOM 35602 OH2 TIP3 9034 31.484 53.945 -17.486 1.00 0.00 WT2 O ATOM 35603 H1 TIP3 9034 32.036 54.334 -16.807 1.00 0.00 WT2 H ATOM 35604 H2 TIP3 9034 31.125 54.694 -17.961 1.00 0.00 WT2 H ATOM 35605 OH2 TIP3 9035 74.363 70.790 64.065 1.00 0.00 WT2 O ATOM 35606 H1 TIP3 9035 73.553 71.238 64.306 1.00 0.00 WT2 H ATOM 35607 H2 TIP3 9035 74.267 69.909 64.425 1.00 0.00 WT2 H ATOM 35608 OH2 TIP3 9036 70.984 83.692 -15.952 1.00 0.00 WT2 O ATOM 35609 H1 TIP3 9036 70.532 83.759 -16.793 1.00 0.00 WT2 H ATOM 35610 H2 TIP3 9036 71.881 83.970 -16.139 1.00 0.00 WT2 H ATOM 35611 OH2 TIP3 9039 21.184 51.870 -16.888 1.00 0.00 WT2 O ATOM 35612 H1 TIP3 9039 21.689 51.170 -16.474 1.00 0.00 WT2 H ATOM 35613 H2 TIP3 9039 20.848 51.479 -17.694 1.00 0.00 WT2 H ATOM 35614 OH2 TIP3 9047 84.539 21.608 37.430 1.00 0.00 WT2 O ATOM 35615 H1 TIP3 9047 84.910 21.346 36.588 1.00 0.00 WT2 H ATOM 35616 H2 TIP3 9047 85.248 22.076 37.870 1.00 0.00 WT2 H ATOM 35617 OH2 TIP3 9051 65.763 65.265 26.800 1.00 0.00 WT2 O ATOM 35618 H1 TIP3 9051 65.082 65.579 27.394 1.00 0.00 WT2 H ATOM 35619 H2 TIP3 9051 65.286 64.808 26.108 1.00 0.00 WT2 H ATOM 35620 OH2 TIP3 9052 67.199 64.061 53.025 1.00 0.00 WT2 O ATOM 35621 H1 TIP3 9052 66.883 63.309 52.523 1.00 0.00 WT2 H ATOM 35622 H2 TIP3 9052 66.559 64.751 52.851 1.00 0.00 WT2 H ATOM 35623 OH2 TIP3 9054 78.065 17.066 55.337 1.00 0.00 WT2 O ATOM 35624 H1 TIP3 9054 77.898 16.180 55.015 1.00 0.00 WT2 H ATOM 35625 H2 TIP3 9054 78.733 17.414 54.747 1.00 0.00 WT2 H ATOM 35626 OH2 TIP3 9055 33.749 52.284 47.540 1.00 0.00 WT2 O ATOM 35627 H1 TIP3 9055 34.159 52.455 48.388 1.00 0.00 WT2 H ATOM 35628 H2 TIP3 9055 34.364 51.709 47.086 1.00 0.00 WT2 H ATOM 35629 OH2 TIP3 9058 54.012 63.011 -7.580 1.00 0.00 WT2 O ATOM 35630 H1 TIP3 9058 54.704 63.359 -7.017 1.00 0.00 WT2 H ATOM 35631 H2 TIP3 9058 53.206 63.392 -7.233 1.00 0.00 WT2 H ATOM 35632 OH2 TIP3 9072 90.525 17.894 61.896 1.00 0.00 WT2 O ATOM 35633 H1 TIP3 9072 89.899 18.581 62.125 1.00 0.00 WT2 H ATOM 35634 H2 TIP3 9072 91.162 18.329 61.329 1.00 0.00 WT2 H ATOM 35635 OH2 TIP3 9073 85.306 50.572 37.110 1.00 0.00 WT2 O ATOM 35636 H1 TIP3 9073 84.472 51.016 36.957 1.00 0.00 WT2 H ATOM 35637 H2 TIP3 9073 85.539 50.198 36.260 1.00 0.00 WT2 H ATOM 35638 OH2 TIP3 9075 40.688 75.470 61.131 1.00 0.00 WT2 O ATOM 35639 H1 TIP3 9075 40.005 75.532 61.799 1.00 0.00 WT2 H ATOM 35640 H2 TIP3 9075 40.921 76.379 60.941 1.00 0.00 WT2 H ATOM 35641 OH2 TIP3 9078 87.574 3.857 64.403 1.00 0.00 WT2 O ATOM 35642 H1 TIP3 9078 86.636 3.872 64.213 1.00 0.00 WT2 H ATOM 35643 H2 TIP3 9078 87.783 4.756 64.654 1.00 0.00 WT2 H ATOM 35644 OH2 TIP3 9079 71.858 13.040 -19.063 1.00 0.00 WT2 O ATOM 35645 H1 TIP3 9079 71.044 13.505 -18.872 1.00 0.00 WT2 H ATOM 35646 H2 TIP3 9079 72.418 13.217 -18.307 1.00 0.00 WT2 H ATOM 35647 OH2 TIP3 9080 31.741 92.953 -9.610 1.00 0.00 WT2 O ATOM 35648 H1 TIP3 9080 32.069 93.751 -9.195 1.00 0.00 WT2 H ATOM 35649 H2 TIP3 9080 31.095 92.609 -8.992 1.00 0.00 WT2 H ATOM 35650 OH2 TIP3 9082 63.359 10.729 -5.975 1.00 0.00 WT2 O ATOM 35651 H1 TIP3 9082 63.193 10.086 -6.664 1.00 0.00 WT2 H ATOM 35652 H2 TIP3 9082 63.892 11.403 -6.398 1.00 0.00 WT2 H ATOM 35653 OH2 TIP3 9092 59.243 44.739 36.147 1.00 0.00 WT2 O ATOM 35654 H1 TIP3 9092 59.362 45.446 35.512 1.00 0.00 WT2 H ATOM 35655 H2 TIP3 9092 59.103 45.187 36.981 1.00 0.00 WT2 H ATOM 35656 OH2 TIP3 9093 24.950 53.621 42.994 1.00 0.00 WT2 O ATOM 35657 H1 TIP3 9093 25.145 53.016 42.278 1.00 0.00 WT2 H ATOM 35658 H2 TIP3 9093 24.762 54.453 42.560 1.00 0.00 WT2 H ATOM 35659 OH2 TIP3 9094 74.742 46.321 53.356 1.00 0.00 WT2 O ATOM 35660 H1 TIP3 9094 75.264 45.972 52.634 1.00 0.00 WT2 H ATOM 35661 H2 TIP3 9094 74.164 46.965 52.946 1.00 0.00 WT2 H ATOM 35662 OH2 TIP3 9096 83.655 21.403 55.114 1.00 0.00 WT2 O ATOM 35663 H1 TIP3 9096 83.385 20.551 54.772 1.00 0.00 WT2 H ATOM 35664 H2 TIP3 9096 83.259 22.038 54.517 1.00 0.00 WT2 H ATOM 35665 OH2 TIP3 9097 28.501 49.148 -12.171 1.00 0.00 WT2 O ATOM 35666 H1 TIP3 9097 29.057 49.911 -12.331 1.00 0.00 WT2 H ATOM 35667 H2 TIP3 9097 27.621 49.438 -12.409 1.00 0.00 WT2 H ATOM 35668 OH2 TIP3 9098 62.978 42.336 37.520 1.00 0.00 WT2 O ATOM 35669 H1 TIP3 9098 62.668 42.420 36.619 1.00 0.00 WT2 H ATOM 35670 H2 TIP3 9098 63.917 42.167 37.436 1.00 0.00 WT2 H ATOM 35671 OH2 TIP3 9099 50.279 9.889 -13.031 1.00 0.00 WT2 O ATOM 35672 H1 TIP3 9099 50.156 10.700 -12.538 1.00 0.00 WT2 H ATOM 35673 H2 TIP3 9099 51.028 9.465 -12.611 1.00 0.00 WT2 H ATOM 35674 OH2 TIP3 9100 83.686 44.064 21.923 1.00 0.00 WT2 O ATOM 35675 H1 TIP3 9100 84.445 43.792 21.407 1.00 0.00 WT2 H ATOM 35676 H2 TIP3 9100 82.933 43.850 21.372 1.00 0.00 WT2 H ATOM 35677 OH2 TIP3 9103 70.952 13.337 2.434 1.00 0.00 WT2 O ATOM 35678 H1 TIP3 9103 71.583 13.611 3.101 1.00 0.00 WT2 H ATOM 35679 H2 TIP3 9103 71.491 12.994 1.721 1.00 0.00 WT2 H ATOM 35680 OH2 TIP3 9110 22.110 53.603 43.068 1.00 0.00 WT2 O ATOM 35681 H1 TIP3 9110 22.972 53.787 42.696 1.00 0.00 WT2 H ATOM 35682 H2 TIP3 9110 22.219 53.746 44.008 1.00 0.00 WT2 H ATOM 35683 OH2 TIP3 9116 90.261 29.616 -2.221 1.00 0.00 WT2 O ATOM 35684 H1 TIP3 9116 89.558 29.051 -2.542 1.00 0.00 WT2 H ATOM 35685 H2 TIP3 9116 90.003 30.497 -2.490 1.00 0.00 WT2 H ATOM 35686 OH2 TIP3 9117 32.067 56.196 27.543 1.00 0.00 WT2 O ATOM 35687 H1 TIP3 9117 32.843 56.333 27.000 1.00 0.00 WT2 H ATOM 35688 H2 TIP3 9117 32.116 56.882 28.209 1.00 0.00 WT2 H ATOM 35689 OH2 TIP3 9120 66.598 79.906 26.387 1.00 0.00 WT2 O ATOM 35690 H1 TIP3 9120 67.200 79.855 25.645 1.00 0.00 WT2 H ATOM 35691 H2 TIP3 9120 65.807 79.458 26.086 1.00 0.00 WT2 H ATOM 35692 OH2 TIP3 9122 78.317 23.841 46.703 1.00 0.00 WT2 O ATOM 35693 H1 TIP3 9122 77.489 23.683 46.250 1.00 0.00 WT2 H ATOM 35694 H2 TIP3 9122 78.437 24.790 46.658 1.00 0.00 WT2 H ATOM 35695 OH2 TIP3 9123 39.634 38.073 16.263 1.00 0.00 WT2 O ATOM 35696 H1 TIP3 9123 39.739 37.131 16.132 1.00 0.00 WT2 H ATOM 35697 H2 TIP3 9123 40.489 38.368 16.576 1.00 0.00 WT2 H ATOM 35698 OH2 TIP3 9124 73.397 47.277 42.037 1.00 0.00 WT2 O ATOM 35699 H1 TIP3 9124 72.500 47.587 41.911 1.00 0.00 WT2 H ATOM 35700 H2 TIP3 9124 73.752 47.203 41.152 1.00 0.00 WT2 H ATOM 35701 OH2 TIP3 9136 85.966 67.643 37.795 1.00 0.00 WT2 O ATOM 35702 H1 TIP3 9136 86.861 67.419 38.048 1.00 0.00 WT2 H ATOM 35703 H2 TIP3 9136 85.679 66.909 37.252 1.00 0.00 WT2 H ATOM 35704 OH2 TIP3 9138 42.230 88.860 -18.318 1.00 0.00 WT2 O ATOM 35705 H1 TIP3 9138 41.794 88.227 -18.888 1.00 0.00 WT2 H ATOM 35706 H2 TIP3 9138 42.619 89.496 -18.918 1.00 0.00 WT2 H ATOM 35707 OH2 TIP3 9139 90.276 7.873 43.617 1.00 0.00 WT2 O ATOM 35708 H1 TIP3 9139 89.972 7.377 44.377 1.00 0.00 WT2 H ATOM 35709 H2 TIP3 9139 90.808 7.250 43.121 1.00 0.00 WT2 H ATOM 35710 OH2 TIP3 9140 88.540 63.733 21.184 1.00 0.00 WT2 O ATOM 35711 H1 TIP3 9140 88.661 63.257 22.005 1.00 0.00 WT2 H ATOM 35712 H2 TIP3 9140 88.433 63.049 20.523 1.00 0.00 WT2 H ATOM 35713 OH2 TIP3 9144 88.932 47.804 54.127 1.00 0.00 WT2 O ATOM 35714 H1 TIP3 9144 88.444 48.597 54.347 1.00 0.00 WT2 H ATOM 35715 H2 TIP3 9144 89.634 47.766 54.777 1.00 0.00 WT2 H ATOM 35716 OH2 TIP3 9145 37.361 25.581 -16.946 1.00 0.00 WT2 O ATOM 35717 H1 TIP3 9145 36.492 25.514 -16.550 1.00 0.00 WT2 H ATOM 35718 H2 TIP3 9145 37.202 25.965 -17.809 1.00 0.00 WT2 H ATOM 35719 OH2 TIP3 9157 26.762 66.394 52.508 1.00 0.00 WT2 O ATOM 35720 H1 TIP3 9157 27.216 66.859 51.805 1.00 0.00 WT2 H ATOM 35721 H2 TIP3 9157 25.840 66.622 52.390 1.00 0.00 WT2 H ATOM 35722 OH2 TIP3 9158 89.890 63.749 49.527 1.00 0.00 WT2 O ATOM 35723 H1 TIP3 9158 89.380 64.556 49.454 1.00 0.00 WT2 H ATOM 35724 H2 TIP3 9158 90.252 63.613 48.651 1.00 0.00 WT2 H ATOM 35725 OH2 TIP3 9159 77.197 94.582 -4.690 1.00 0.00 WT2 O ATOM 35726 H1 TIP3 9159 76.253 94.617 -4.841 1.00 0.00 WT2 H ATOM 35727 H2 TIP3 9159 77.351 95.212 -3.985 1.00 0.00 WT2 H ATOM 35728 OH2 TIP3 9160 40.291 2.496 35.220 1.00 0.00 WT2 O ATOM 35729 H1 TIP3 9160 41.236 2.436 35.364 1.00 0.00 WT2 H ATOM 35730 H2 TIP3 9160 39.917 1.841 35.810 1.00 0.00 WT2 H ATOM 35731 OH2 TIP3 9161 60.551 88.727 60.868 1.00 0.00 WT2 O ATOM 35732 H1 TIP3 9161 59.952 88.536 60.146 1.00 0.00 WT2 H ATOM 35733 H2 TIP3 9161 60.382 88.037 61.509 1.00 0.00 WT2 H ATOM 35734 OH2 TIP3 9162 88.186 38.048 38.549 1.00 0.00 WT2 O ATOM 35735 H1 TIP3 9162 87.838 38.495 39.321 1.00 0.00 WT2 H ATOM 35736 H2 TIP3 9162 88.025 38.657 37.828 1.00 0.00 WT2 H ATOM 35737 OH2 TIP3 9163 36.029 33.907 52.038 1.00 0.00 WT2 O ATOM 35738 H1 TIP3 9163 36.817 33.613 51.581 1.00 0.00 WT2 H ATOM 35739 H2 TIP3 9163 35.815 33.189 52.633 1.00 0.00 WT2 H ATOM 35740 OH2 TIP3 9167 59.272 90.350 30.103 1.00 0.00 WT2 O ATOM 35741 H1 TIP3 9167 58.605 89.750 29.769 1.00 0.00 WT2 H ATOM 35742 H2 TIP3 9167 58.787 90.970 30.647 1.00 0.00 WT2 H ATOM 35743 OH2 TIP3 9170 25.438 29.988 59.208 1.00 0.00 WT2 O ATOM 35744 H1 TIP3 9170 26.007 30.604 59.669 1.00 0.00 WT2 H ATOM 35745 H2 TIP3 9170 25.830 29.130 59.373 1.00 0.00 WT2 H ATOM 35746 OH2 TIP3 9177 90.642 66.357 58.612 1.00 0.00 WT2 O ATOM 35747 H1 TIP3 9177 90.872 66.953 57.900 1.00 0.00 WT2 H ATOM 35748 H2 TIP3 9177 90.084 66.876 59.190 1.00 0.00 WT2 H ATOM 35749 OH2 TIP3 9180 85.057 39.282 54.718 1.00 0.00 WT2 O ATOM 35750 H1 TIP3 9180 85.041 39.933 55.420 1.00 0.00 WT2 H ATOM 35751 H2 TIP3 9180 85.448 39.741 53.974 1.00 0.00 WT2 H ATOM 35752 OH2 TIP3 9181 46.727 11.904 34.983 1.00 0.00 WT2 O ATOM 35753 H1 TIP3 9181 47.098 11.048 34.770 1.00 0.00 WT2 H ATOM 35754 H2 TIP3 9181 46.205 12.137 34.215 1.00 0.00 WT2 H ATOM 35755 OH2 TIP3 9183 25.754 73.805 45.328 1.00 0.00 WT2 O ATOM 35756 H1 TIP3 9183 25.602 74.705 45.038 1.00 0.00 WT2 H ATOM 35757 H2 TIP3 9183 26.460 73.488 44.765 1.00 0.00 WT2 H ATOM 35758 OH2 TIP3 9184 22.890 78.325 23.014 1.00 0.00 WT2 O ATOM 35759 H1 TIP3 9184 22.071 78.707 23.330 1.00 0.00 WT2 H ATOM 35760 H2 TIP3 9184 22.689 78.025 22.128 1.00 0.00 WT2 H ATOM 35761 OH2 TIP3 9185 32.773 26.250 18.460 1.00 0.00 WT2 O ATOM 35762 H1 TIP3 9185 33.374 26.656 17.835 1.00 0.00 WT2 H ATOM 35763 H2 TIP3 9185 32.455 25.466 18.013 1.00 0.00 WT2 H ATOM 35764 OH2 TIP3 9186 57.891 94.523 -16.282 1.00 0.00 WT2 O ATOM 35765 H1 TIP3 9186 57.026 94.528 -16.692 1.00 0.00 WT2 H ATOM 35766 H2 TIP3 9186 57.734 94.201 -15.394 1.00 0.00 WT2 H ATOM 35767 OH2 TIP3 9198 62.610 39.485 47.527 1.00 0.00 WT2 O ATOM 35768 H1 TIP3 9198 63.073 39.043 48.238 1.00 0.00 WT2 H ATOM 35769 H2 TIP3 9198 62.199 40.243 47.943 1.00 0.00 WT2 H ATOM 35770 OH2 TIP3 9200 23.164 61.523 -15.369 1.00 0.00 WT2 O ATOM 35771 H1 TIP3 9200 23.216 62.337 -15.870 1.00 0.00 WT2 H ATOM 35772 H2 TIP3 9200 23.095 61.807 -14.457 1.00 0.00 WT2 H ATOM 35773 OH2 TIP3 9201 89.437 89.354 46.884 1.00 0.00 WT2 O ATOM 35774 H1 TIP3 9201 88.920 89.470 47.681 1.00 0.00 WT2 H ATOM 35775 H2 TIP3 9201 88.799 89.420 46.173 1.00 0.00 WT2 H ATOM 35776 OH2 TIP3 9202 55.683 82.976 28.979 1.00 0.00 WT2 O ATOM 35777 H1 TIP3 9202 55.850 83.529 28.216 1.00 0.00 WT2 H ATOM 35778 H2 TIP3 9202 54.887 82.494 28.757 1.00 0.00 WT2 H ATOM 35779 OH2 TIP3 9203 75.819 62.280 -17.322 1.00 0.00 WT2 O ATOM 35780 H1 TIP3 9203 75.782 63.121 -16.868 1.00 0.00 WT2 H ATOM 35781 H2 TIP3 9203 76.743 62.167 -17.544 1.00 0.00 WT2 H ATOM 35782 OH2 TIP3 9204 64.723 30.555 37.358 1.00 0.00 WT2 O ATOM 35783 H1 TIP3 9204 64.582 30.616 38.303 1.00 0.00 WT2 H ATOM 35784 H2 TIP3 9204 63.855 30.375 36.997 1.00 0.00 WT2 H ATOM 35785 OH2 TIP3 9205 86.445 48.765 7.453 1.00 0.00 WT2 O ATOM 35786 H1 TIP3 9205 85.596 49.185 7.313 1.00 0.00 WT2 H ATOM 35787 H2 TIP3 9205 86.997 49.456 7.820 1.00 0.00 WT2 H ATOM 35788 OH2 TIP3 9219 79.936 5.443 -6.264 1.00 0.00 WT2 O ATOM 35789 H1 TIP3 9219 80.294 6.309 -6.461 1.00 0.00 WT2 H ATOM 35790 H2 TIP3 9219 79.026 5.610 -6.021 1.00 0.00 WT2 H ATOM 35791 OH2 TIP3 9222 43.406 45.237 2.267 1.00 0.00 WT2 O ATOM 35792 H1 TIP3 9222 43.928 46.006 2.038 1.00 0.00 WT2 H ATOM 35793 H2 TIP3 9222 42.600 45.596 2.638 1.00 0.00 WT2 H ATOM 35794 OH2 TIP3 9223 65.279 94.149 43.666 1.00 0.00 WT2 O ATOM 35795 H1 TIP3 9223 64.450 94.460 43.302 1.00 0.00 WT2 H ATOM 35796 H2 TIP3 9223 65.897 94.860 43.497 1.00 0.00 WT2 H ATOM 35797 OH2 TIP3 9225 84.836 24.701 46.688 1.00 0.00 WT2 O ATOM 35798 H1 TIP3 9225 85.570 24.667 47.302 1.00 0.00 WT2 H ATOM 35799 H2 TIP3 9225 84.873 25.583 46.319 1.00 0.00 WT2 H ATOM 35800 OH2 TIP3 9226 89.338 54.066 64.545 1.00 0.00 WT2 O ATOM 35801 H1 TIP3 9226 89.318 53.142 64.296 1.00 0.00 WT2 H ATOM 35802 H2 TIP3 9226 88.825 54.109 65.352 1.00 0.00 WT2 H ATOM 35803 OH2 TIP3 9227 29.218 60.850 -16.774 1.00 0.00 WT2 O ATOM 35804 H1 TIP3 9227 29.758 60.683 -16.002 1.00 0.00 WT2 H ATOM 35805 H2 TIP3 9227 29.781 60.622 -17.514 1.00 0.00 WT2 H ATOM 35806 OH2 TIP3 9228 86.910 32.569 52.484 1.00 0.00 WT2 O ATOM 35807 H1 TIP3 9228 86.536 33.011 51.722 1.00 0.00 WT2 H ATOM 35808 H2 TIP3 9228 87.458 31.876 52.114 1.00 0.00 WT2 H ATOM 35809 OH2 TIP3 9241 60.097 6.998 2.507 1.00 0.00 WT2 O ATOM 35810 H1 TIP3 9241 59.654 7.139 1.670 1.00 0.00 WT2 H ATOM 35811 H2 TIP3 9241 60.857 6.459 2.288 1.00 0.00 WT2 H ATOM 35812 OH2 TIP3 9242 24.328 32.286 16.580 1.00 0.00 WT2 O ATOM 35813 H1 TIP3 9242 24.750 32.509 17.410 1.00 0.00 WT2 H ATOM 35814 H2 TIP3 9242 24.076 33.129 16.204 1.00 0.00 WT2 H ATOM 35815 OH2 TIP3 9243 33.504 15.952 57.261 1.00 0.00 WT2 O ATOM 35816 H1 TIP3 9243 34.040 15.700 58.013 1.00 0.00 WT2 H ATOM 35817 H2 TIP3 9243 33.345 16.888 57.384 1.00 0.00 WT2 H ATOM 35818 OH2 TIP3 9244 88.397 57.085 48.157 1.00 0.00 WT2 O ATOM 35819 H1 TIP3 9244 87.801 56.351 48.306 1.00 0.00 WT2 H ATOM 35820 H2 TIP3 9244 89.255 56.754 48.422 1.00 0.00 WT2 H ATOM 35821 OH2 TIP3 9245 56.134 94.649 -19.422 1.00 0.00 WT2 O ATOM 35822 H1 TIP3 9245 55.657 94.179 -18.738 1.00 0.00 WT2 H ATOM 35823 H2 TIP3 9245 55.555 95.371 -19.666 1.00 0.00 WT2 H ATOM 35824 OH2 TIP3 9246 84.040 7.725 56.640 1.00 0.00 WT2 O ATOM 35825 H1 TIP3 9246 84.885 7.283 56.561 1.00 0.00 WT2 H ATOM 35826 H2 TIP3 9246 84.199 8.437 57.260 1.00 0.00 WT2 H ATOM 35827 OH2 TIP3 9247 32.427 12.268 54.140 1.00 0.00 WT2 O ATOM 35828 H1 TIP3 9247 32.450 13.211 53.978 1.00 0.00 WT2 H ATOM 35829 H2 TIP3 9247 33.137 12.114 54.764 1.00 0.00 WT2 H ATOM 35830 OH2 TIP3 9250 85.337 37.864 -0.765 1.00 0.00 WT2 O ATOM 35831 H1 TIP3 9250 84.969 37.224 -1.375 1.00 0.00 WT2 H ATOM 35832 H2 TIP3 9250 86.241 37.576 -0.632 1.00 0.00 WT2 H ATOM 35833 OH2 TIP3 9259 38.485 80.519 43.630 1.00 0.00 WT2 O ATOM 35834 H1 TIP3 9259 38.228 81.250 43.069 1.00 0.00 WT2 H ATOM 35835 H2 TIP3 9259 37.976 79.776 43.305 1.00 0.00 WT2 H ATOM 35836 OH2 TIP3 9261 58.810 3.283 5.580 1.00 0.00 WT2 O ATOM 35837 H1 TIP3 9261 58.818 3.847 4.807 1.00 0.00 WT2 H ATOM 35838 H2 TIP3 9261 59.499 3.637 6.142 1.00 0.00 WT2 H ATOM 35839 OH2 TIP3 4 62.191 10.902 -3.484 1.00 0.00 WT3 O ATOM 35840 H1 TIP3 4 62.750 11.468 -2.951 1.00 0.00 WT3 H ATOM 35841 H2 TIP3 4 62.637 10.850 -4.329 1.00 0.00 WT3 H ATOM 35842 OH2 TIP3 5 70.344 83.613 45.607 1.00 0.00 WT3 O ATOM 35843 H1 TIP3 5 70.533 84.492 45.280 1.00 0.00 WT3 H ATOM 35844 H2 TIP3 5 69.737 83.243 44.966 1.00 0.00 WT3 H ATOM 35845 OH2 TIP3 6 73.391 40.983 3.901 1.00 0.00 WT3 O ATOM 35846 H1 TIP3 6 72.847 40.252 4.196 1.00 0.00 WT3 H ATOM 35847 H2 TIP3 6 74.246 40.589 3.726 1.00 0.00 WT3 H ATOM 35848 OH2 TIP3 7 60.577 80.958 55.085 1.00 0.00 WT3 O ATOM 35849 H1 TIP3 7 61.226 81.500 55.534 1.00 0.00 WT3 H ATOM 35850 H2 TIP3 7 60.218 80.396 55.772 1.00 0.00 WT3 H ATOM 35851 OH2 TIP3 8 41.431 62.880 43.495 1.00 0.00 WT3 O ATOM 35852 H1 TIP3 8 42.350 62.636 43.602 1.00 0.00 WT3 H ATOM 35853 H2 TIP3 8 41.420 63.830 43.611 1.00 0.00 WT3 H ATOM 35854 OH2 TIP3 10 51.466 95.533 14.567 1.00 0.00 WT3 O ATOM 35855 H1 TIP3 10 51.295 96.112 13.825 1.00 0.00 WT3 H ATOM 35856 H2 TIP3 10 52.371 95.246 14.445 1.00 0.00 WT3 H ATOM 35857 OH2 TIP3 11 76.369 52.853 17.333 1.00 0.00 WT3 O ATOM 35858 H1 TIP3 11 75.905 52.024 17.215 1.00 0.00 WT3 H ATOM 35859 H2 TIP3 11 76.303 53.033 18.271 1.00 0.00 WT3 H ATOM 35860 OH2 TIP3 12 41.804 4.657 5.938 1.00 0.00 WT3 O ATOM 35861 H1 TIP3 12 42.110 3.896 5.445 1.00 0.00 WT3 H ATOM 35862 H2 TIP3 12 42.601 5.046 6.299 1.00 0.00 WT3 H ATOM 35863 OH2 TIP3 13 48.112 51.613 -16.696 1.00 0.00 WT3 O ATOM 35864 H1 TIP3 13 48.594 52.073 -17.384 1.00 0.00 WT3 H ATOM 35865 H2 TIP3 13 48.789 51.166 -16.187 1.00 0.00 WT3 H ATOM 35866 OH2 TIP3 15 73.474 61.999 30.443 1.00 0.00 WT3 O ATOM 35867 H1 TIP3 15 74.125 61.522 29.927 1.00 0.00 WT3 H ATOM 35868 H2 TIP3 15 72.672 61.485 30.352 1.00 0.00 WT3 H ATOM 35869 OH2 TIP3 16 25.121 74.542 56.061 1.00 0.00 WT3 O ATOM 35870 H1 TIP3 16 25.270 75.481 55.948 1.00 0.00 WT3 H ATOM 35871 H2 TIP3 16 25.737 74.282 56.746 1.00 0.00 WT3 H ATOM 35872 OH2 TIP3 17 23.583 49.022 58.390 1.00 0.00 WT3 O ATOM 35873 H1 TIP3 17 22.780 48.510 58.480 1.00 0.00 WT3 H ATOM 35874 H2 TIP3 17 23.737 49.383 59.264 1.00 0.00 WT3 H ATOM 35875 OH2 TIP3 18 40.544 69.063 57.470 1.00 0.00 WT3 O ATOM 35876 H1 TIP3 18 40.855 69.725 58.088 1.00 0.00 WT3 H ATOM 35877 H2 TIP3 18 41.342 68.659 57.130 1.00 0.00 WT3 H ATOM 35878 OH2 TIP3 19 72.156 65.217 64.300 1.00 0.00 WT3 O ATOM 35879 H1 TIP3 19 72.264 65.446 63.377 1.00 0.00 WT3 H ATOM 35880 H2 TIP3 19 72.587 64.367 64.388 1.00 0.00 WT3 H ATOM 35881 OH2 TIP3 20 59.043 28.329 39.671 1.00 0.00 WT3 O ATOM 35882 H1 TIP3 20 59.371 28.506 38.789 1.00 0.00 WT3 H ATOM 35883 H2 TIP3 20 58.091 28.387 39.588 1.00 0.00 WT3 H ATOM 35884 OH2 TIP3 21 25.729 81.278 11.836 1.00 0.00 WT3 O ATOM 35885 H1 TIP3 21 25.055 81.919 11.611 1.00 0.00 WT3 H ATOM 35886 H2 TIP3 21 25.248 80.461 11.972 1.00 0.00 WT3 H ATOM 35887 OH2 TIP3 22 77.477 75.470 42.789 1.00 0.00 WT3 O ATOM 35888 H1 TIP3 22 78.223 74.915 43.017 1.00 0.00 WT3 H ATOM 35889 H2 TIP3 22 77.336 75.312 41.856 1.00 0.00 WT3 H ATOM 35890 OH2 TIP3 23 67.353 68.699 43.766 1.00 0.00 WT3 O ATOM 35891 H1 TIP3 23 66.435 68.693 44.036 1.00 0.00 WT3 H ATOM 35892 H2 TIP3 23 67.794 69.234 44.426 1.00 0.00 WT3 H ATOM 35893 OH2 TIP3 24 35.608 69.028 39.060 1.00 0.00 WT3 O ATOM 35894 H1 TIP3 24 36.304 69.662 38.886 1.00 0.00 WT3 H ATOM 35895 H2 TIP3 24 35.249 68.823 38.197 1.00 0.00 WT3 H ATOM 35896 OH2 TIP3 25 64.880 1.671 -14.249 1.00 0.00 WT3 O ATOM 35897 H1 TIP3 25 65.510 1.022 -13.938 1.00 0.00 WT3 H ATOM 35898 H2 TIP3 25 64.035 1.223 -14.211 1.00 0.00 WT3 H ATOM 35899 OH2 TIP3 26 75.363 93.612 7.454 1.00 0.00 WT3 O ATOM 35900 H1 TIP3 26 75.090 94.391 7.940 1.00 0.00 WT3 H ATOM 35901 H2 TIP3 26 76.264 93.457 7.735 1.00 0.00 WT3 H ATOM 35902 OH2 TIP3 27 79.707 69.995 35.495 1.00 0.00 WT3 O ATOM 35903 H1 TIP3 27 78.854 69.623 35.720 1.00 0.00 WT3 H ATOM 35904 H2 TIP3 27 79.515 70.641 34.815 1.00 0.00 WT3 H ATOM 35905 OH2 TIP3 29 29.638 32.654 54.099 1.00 0.00 WT3 O ATOM 35906 H1 TIP3 29 30.131 33.326 54.569 1.00 0.00 WT3 H ATOM 35907 H2 TIP3 29 28.843 32.532 54.619 1.00 0.00 WT3 H ATOM 35908 OH2 TIP3 30 29.545 71.675 29.165 1.00 0.00 WT3 O ATOM 35909 H1 TIP3 30 29.752 70.741 29.140 1.00 0.00 WT3 H ATOM 35910 H2 TIP3 30 29.681 71.927 30.078 1.00 0.00 WT3 H ATOM 35911 OH2 TIP3 31 73.365 76.111 22.914 1.00 0.00 WT3 O ATOM 35912 H1 TIP3 31 72.411 76.198 22.925 1.00 0.00 WT3 H ATOM 35913 H2 TIP3 31 73.584 75.765 23.779 1.00 0.00 WT3 H ATOM 35914 OH2 TIP3 32 77.841 80.003 -11.035 1.00 0.00 WT3 O ATOM 35915 H1 TIP3 32 78.279 79.160 -11.148 1.00 0.00 WT3 H ATOM 35916 H2 TIP3 32 78.345 80.610 -11.577 1.00 0.00 WT3 H ATOM 35917 OH2 TIP3 33 89.408 94.489 51.074 1.00 0.00 WT3 O ATOM 35918 H1 TIP3 33 89.110 95.395 51.155 1.00 0.00 WT3 H ATOM 35919 H2 TIP3 33 90.350 94.560 50.919 1.00 0.00 WT3 H ATOM 35920 OH2 TIP3 34 53.445 32.630 66.094 1.00 0.00 WT3 O ATOM 35921 H1 TIP3 34 52.675 32.350 66.589 1.00 0.00 WT3 H ATOM 35922 H2 TIP3 34 54.059 32.938 66.761 1.00 0.00 WT3 H ATOM 35923 OH2 TIP3 35 41.962 9.673 -4.504 1.00 0.00 WT3 O ATOM 35924 H1 TIP3 35 41.686 10.507 -4.883 1.00 0.00 WT3 H ATOM 35925 H2 TIP3 35 41.144 9.216 -4.308 1.00 0.00 WT3 H ATOM 35926 OH2 TIP3 37 70.056 86.083 44.089 1.00 0.00 WT3 O ATOM 35927 H1 TIP3 37 70.142 86.956 44.472 1.00 0.00 WT3 H ATOM 35928 H2 TIP3 37 69.936 86.243 43.153 1.00 0.00 WT3 H ATOM 35929 OH2 TIP3 39 33.378 93.748 32.431 1.00 0.00 WT3 O ATOM 35930 H1 TIP3 39 32.471 93.463 32.319 1.00 0.00 WT3 H ATOM 35931 H2 TIP3 39 33.732 93.164 33.102 1.00 0.00 WT3 H ATOM 35932 OH2 TIP3 41 51.183 54.816 65.719 1.00 0.00 WT3 O ATOM 35933 H1 TIP3 41 51.222 53.916 65.396 1.00 0.00 WT3 H ATOM 35934 H2 TIP3 41 50.248 55.020 65.746 1.00 0.00 WT3 H ATOM 35935 OH2 TIP3 42 62.660 91.915 43.390 1.00 0.00 WT3 O ATOM 35936 H1 TIP3 42 62.520 92.656 42.800 1.00 0.00 WT3 H ATOM 35937 H2 TIP3 42 63.611 91.855 43.478 1.00 0.00 WT3 H ATOM 35938 OH2 TIP3 43 78.128 0.199 65.275 1.00 0.00 WT3 O ATOM 35939 H1 TIP3 43 77.429 0.699 65.699 1.00 0.00 WT3 H ATOM 35940 H2 TIP3 43 78.727 0.864 64.936 1.00 0.00 WT3 H ATOM 35941 OH2 TIP3 44 88.822 13.258 60.452 1.00 0.00 WT3 O ATOM 35942 H1 TIP3 44 89.354 13.687 59.781 1.00 0.00 WT3 H ATOM 35943 H2 TIP3 44 89.346 13.323 61.250 1.00 0.00 WT3 H ATOM 35944 OH2 TIP3 45 68.831 76.439 33.753 1.00 0.00 WT3 O ATOM 35945 H1 TIP3 45 68.468 76.142 34.587 1.00 0.00 WT3 H ATOM 35946 H2 TIP3 45 68.091 76.413 33.146 1.00 0.00 WT3 H ATOM 35947 OH2 TIP3 46 28.708 4.520 46.060 1.00 0.00 WT3 O ATOM 35948 H1 TIP3 46 27.996 5.160 46.064 1.00 0.00 WT3 H ATOM 35949 H2 TIP3 46 28.823 4.294 45.137 1.00 0.00 WT3 H ATOM 35950 OH2 TIP3 47 87.347 2.087 14.173 1.00 0.00 WT3 O ATOM 35951 H1 TIP3 47 87.287 1.172 13.898 1.00 0.00 WT3 H ATOM 35952 H2 TIP3 47 88.229 2.171 14.536 1.00 0.00 WT3 H ATOM 35953 OH2 TIP3 48 82.090 48.627 8.508 1.00 0.00 WT3 O ATOM 35954 H1 TIP3 48 81.915 47.793 8.072 1.00 0.00 WT3 H ATOM 35955 H2 TIP3 48 82.677 49.091 7.912 1.00 0.00 WT3 H ATOM 35956 OH2 TIP3 50 85.958 69.041 31.369 1.00 0.00 WT3 O ATOM 35957 H1 TIP3 50 85.096 69.457 31.331 1.00 0.00 WT3 H ATOM 35958 H2 TIP3 50 85.781 68.110 31.230 1.00 0.00 WT3 H ATOM 35959 OH2 TIP3 52 48.989 36.395 3.234 1.00 0.00 WT3 O ATOM 35960 H1 TIP3 52 49.528 35.624 3.413 1.00 0.00 WT3 H ATOM 35961 H2 TIP3 52 49.289 37.050 3.864 1.00 0.00 WT3 H ATOM 35962 OH2 TIP3 53 78.140 51.587 53.599 1.00 0.00 WT3 O ATOM 35963 H1 TIP3 53 77.315 52.047 53.754 1.00 0.00 WT3 H ATOM 35964 H2 TIP3 53 78.153 51.426 52.656 1.00 0.00 WT3 H ATOM 35965 OH2 TIP3 55 33.822 67.393 46.445 1.00 0.00 WT3 O ATOM 35966 H1 TIP3 55 33.036 67.012 46.054 1.00 0.00 WT3 H ATOM 35967 H2 TIP3 55 34.505 67.262 45.787 1.00 0.00 WT3 H ATOM 35968 OH2 TIP3 56 78.992 48.892 11.967 1.00 0.00 WT3 O ATOM 35969 H1 TIP3 56 79.839 48.454 11.888 1.00 0.00 WT3 H ATOM 35970 H2 TIP3 56 79.019 49.314 12.825 1.00 0.00 WT3 H ATOM 35971 OH2 TIP3 58 22.081 87.964 25.595 1.00 0.00 WT3 O ATOM 35972 H1 TIP3 58 22.528 88.496 24.938 1.00 0.00 WT3 H ATOM 35973 H2 TIP3 58 22.685 87.242 25.770 1.00 0.00 WT3 H ATOM 35974 OH2 TIP3 59 37.742 95.708 -7.121 1.00 0.00 WT3 O ATOM 35975 H1 TIP3 59 37.914 96.447 -6.538 1.00 0.00 WT3 H ATOM 35976 H2 TIP3 59 37.002 95.253 -6.719 1.00 0.00 WT3 H ATOM 35977 OH2 TIP3 60 43.982 5.459 -18.046 1.00 0.00 WT3 O ATOM 35978 H1 TIP3 60 43.950 5.180 -17.131 1.00 0.00 WT3 H ATOM 35979 H2 TIP3 60 43.405 4.848 -18.504 1.00 0.00 WT3 H ATOM 35980 OH2 TIP3 61 69.998 92.753 65.627 1.00 0.00 WT3 O ATOM 35981 H1 TIP3 61 69.270 92.568 66.220 1.00 0.00 WT3 H ATOM 35982 H2 TIP3 61 69.686 93.476 65.083 1.00 0.00 WT3 H ATOM 35983 OH2 TIP3 62 69.533 68.478 -15.641 1.00 0.00 WT3 O ATOM 35984 H1 TIP3 62 70.261 67.870 -15.774 1.00 0.00 WT3 H ATOM 35985 H2 TIP3 62 68.764 67.915 -15.552 1.00 0.00 WT3 H ATOM 35986 OH2 TIP3 63 27.067 76.497 22.822 1.00 0.00 WT3 O ATOM 35987 H1 TIP3 63 27.914 76.487 22.375 1.00 0.00 WT3 H ATOM 35988 H2 TIP3 63 26.636 75.692 22.537 1.00 0.00 WT3 H ATOM 35989 OH2 TIP3 64 79.471 61.900 -0.363 1.00 0.00 WT3 O ATOM 35990 H1 TIP3 64 78.662 61.963 -0.869 1.00 0.00 WT3 H ATOM 35991 H2 TIP3 64 79.719 60.978 -0.420 1.00 0.00 WT3 H ATOM 35992 OH2 TIP3 66 38.334 1.650 -5.948 1.00 0.00 WT3 O ATOM 35993 H1 TIP3 66 38.213 2.114 -5.119 1.00 0.00 WT3 H ATOM 35994 H2 TIP3 66 38.629 2.325 -6.559 1.00 0.00 WT3 H ATOM 35995 OH2 TIP3 67 74.774 53.725 1.337 1.00 0.00 WT3 O ATOM 35996 H1 TIP3 67 74.023 54.272 1.105 1.00 0.00 WT3 H ATOM 35997 H2 TIP3 67 74.591 53.434 2.230 1.00 0.00 WT3 H ATOM 35998 OH2 TIP3 68 65.420 57.254 4.401 1.00 0.00 WT3 O ATOM 35999 H1 TIP3 68 65.527 58.205 4.381 1.00 0.00 WT3 H ATOM 36000 H2 TIP3 68 66.201 56.934 4.852 1.00 0.00 WT3 H ATOM 36001 OH2 TIP3 69 27.930 64.553 48.398 1.00 0.00 WT3 O ATOM 36002 H1 TIP3 69 28.841 64.831 48.492 1.00 0.00 WT3 H ATOM 36003 H2 TIP3 69 27.612 64.467 49.297 1.00 0.00 WT3 H ATOM 36004 OH2 TIP3 70 31.369 79.945 64.040 1.00 0.00 WT3 O ATOM 36005 H1 TIP3 70 32.035 79.399 64.459 1.00 0.00 WT3 H ATOM 36006 H2 TIP3 70 31.779 80.244 63.228 1.00 0.00 WT3 H ATOM 36007 OH2 TIP3 71 32.195 74.948 39.523 1.00 0.00 WT3 O ATOM 36008 H1 TIP3 71 31.652 74.604 40.233 1.00 0.00 WT3 H ATOM 36009 H2 TIP3 71 32.298 74.211 38.920 1.00 0.00 WT3 H ATOM 36010 OH2 TIP3 72 27.531 58.824 47.716 1.00 0.00 WT3 O ATOM 36011 H1 TIP3 72 27.843 59.596 48.189 1.00 0.00 WT3 H ATOM 36012 H2 TIP3 72 26.579 58.854 47.811 1.00 0.00 WT3 H ATOM 36013 OH2 TIP3 74 84.067 71.032 -12.685 1.00 0.00 WT3 O ATOM 36014 H1 TIP3 74 84.229 71.934 -12.410 1.00 0.00 WT3 H ATOM 36015 H2 TIP3 74 84.914 70.597 -12.593 1.00 0.00 WT3 H ATOM 36016 OH2 TIP3 75 20.873 75.917 50.485 1.00 0.00 WT3 O ATOM 36017 H1 TIP3 75 20.824 76.784 50.084 1.00 0.00 WT3 H ATOM 36018 H2 TIP3 75 20.466 75.333 49.845 1.00 0.00 WT3 H ATOM 36019 OH2 TIP3 76 88.839 66.198 1.293 1.00 0.00 WT3 O ATOM 36020 H1 TIP3 76 87.932 66.106 0.999 1.00 0.00 WT3 H ATOM 36021 H2 TIP3 76 88.861 65.758 2.143 1.00 0.00 WT3 H ATOM 36022 OH2 TIP3 78 35.223 68.471 49.203 1.00 0.00 WT3 O ATOM 36023 H1 TIP3 78 35.319 68.617 48.261 1.00 0.00 WT3 H ATOM 36024 H2 TIP3 78 34.379 68.028 49.292 1.00 0.00 WT3 H ATOM 36025 OH2 TIP3 79 44.107 88.041 57.762 1.00 0.00 WT3 O ATOM 36026 H1 TIP3 79 43.399 88.646 57.541 1.00 0.00 WT3 H ATOM 36027 H2 TIP3 79 43.691 87.376 58.311 1.00 0.00 WT3 H ATOM 36028 OH2 TIP3 80 80.729 58.722 6.296 1.00 0.00 WT3 O ATOM 36029 H1 TIP3 80 80.992 58.143 7.011 1.00 0.00 WT3 H ATOM 36030 H2 TIP3 80 79.793 58.555 6.183 1.00 0.00 WT3 H ATOM 36031 OH2 TIP3 81 50.574 5.343 48.015 1.00 0.00 WT3 O ATOM 36032 H1 TIP3 81 50.284 4.554 47.557 1.00 0.00 WT3 H ATOM 36033 H2 TIP3 81 49.786 5.881 48.088 1.00 0.00 WT3 H ATOM 36034 OH2 TIP3 82 53.710 31.135 31.189 1.00 0.00 WT3 O ATOM 36035 H1 TIP3 82 53.986 30.314 31.596 1.00 0.00 WT3 H ATOM 36036 H2 TIP3 82 54.520 31.633 31.079 1.00 0.00 WT3 H ATOM 36037 OH2 TIP3 83 77.606 22.916 1.959 1.00 0.00 WT3 O ATOM 36038 H1 TIP3 83 78.548 22.807 1.828 1.00 0.00 WT3 H ATOM 36039 H2 TIP3 83 77.219 22.693 1.112 1.00 0.00 WT3 H ATOM 36040 OH2 TIP3 84 42.747 95.962 16.422 1.00 0.00 WT3 O ATOM 36041 H1 TIP3 84 43.323 95.288 16.781 1.00 0.00 WT3 H ATOM 36042 H2 TIP3 84 42.712 95.775 15.484 1.00 0.00 WT3 H ATOM 36043 OH2 TIP3 86 74.662 3.391 -17.674 1.00 0.00 WT3 O ATOM 36044 H1 TIP3 86 73.867 3.858 -17.929 1.00 0.00 WT3 H ATOM 36045 H2 TIP3 86 74.410 2.467 -17.681 1.00 0.00 WT3 H ATOM 36046 OH2 TIP3 87 73.659 66.026 52.606 1.00 0.00 WT3 O ATOM 36047 H1 TIP3 87 73.186 66.224 51.798 1.00 0.00 WT3 H ATOM 36048 H2 TIP3 87 74.540 66.370 52.460 1.00 0.00 WT3 H ATOM 36049 OH2 TIP3 88 42.765 67.271 -4.126 1.00 0.00 WT3 O ATOM 36050 H1 TIP3 88 42.300 66.507 -3.784 1.00 0.00 WT3 H ATOM 36051 H2 TIP3 88 43.548 67.340 -3.580 1.00 0.00 WT3 H ATOM 36052 OH2 TIP3 90 70.173 89.672 60.756 1.00 0.00 WT3 O ATOM 36053 H1 TIP3 90 70.883 89.181 61.170 1.00 0.00 WT3 H ATOM 36054 H2 TIP3 90 69.756 90.144 61.477 1.00 0.00 WT3 H ATOM 36055 OH2 TIP3 91 61.980 88.483 -3.408 1.00 0.00 WT3 O ATOM 36056 H1 TIP3 91 61.718 88.234 -2.522 1.00 0.00 WT3 H ATOM 36057 H2 TIP3 91 62.917 88.292 -3.444 1.00 0.00 WT3 H ATOM 36058 OH2 TIP3 92 48.888 34.662 12.141 1.00 0.00 WT3 O ATOM 36059 H1 TIP3 92 49.277 33.800 12.290 1.00 0.00 WT3 H ATOM 36060 H2 TIP3 92 48.013 34.599 12.525 1.00 0.00 WT3 H ATOM 36061 OH2 TIP3 93 64.792 14.062 -2.744 1.00 0.00 WT3 O ATOM 36062 H1 TIP3 93 65.078 14.950 -2.957 1.00 0.00 WT3 H ATOM 36063 H2 TIP3 93 64.781 13.605 -3.585 1.00 0.00 WT3 H ATOM 36064 OH2 TIP3 94 36.560 65.343 59.478 1.00 0.00 WT3 O ATOM 36065 H1 TIP3 94 36.796 65.964 60.166 1.00 0.00 WT3 H ATOM 36066 H2 TIP3 94 36.244 65.890 58.759 1.00 0.00 WT3 H ATOM 36067 OH2 TIP3 95 32.206 19.251 -13.496 1.00 0.00 WT3 O ATOM 36068 H1 TIP3 95 31.445 19.525 -12.984 1.00 0.00 WT3 H ATOM 36069 H2 TIP3 95 31.947 18.413 -13.880 1.00 0.00 WT3 H ATOM 36070 OH2 TIP3 97 31.276 21.706 8.647 1.00 0.00 WT3 O ATOM 36071 H1 TIP3 97 31.775 22.517 8.746 1.00 0.00 WT3 H ATOM 36072 H2 TIP3 97 31.864 21.119 8.171 1.00 0.00 WT3 H ATOM 36073 OH2 TIP3 98 69.503 77.996 28.391 1.00 0.00 WT3 O ATOM 36074 H1 TIP3 98 69.080 78.543 27.729 1.00 0.00 WT3 H ATOM 36075 H2 TIP3 98 69.294 78.421 29.223 1.00 0.00 WT3 H ATOM 36076 OH2 TIP3 99 88.344 90.875 17.524 1.00 0.00 WT3 O ATOM 36077 H1 TIP3 99 88.244 89.930 17.642 1.00 0.00 WT3 H ATOM 36078 H2 TIP3 99 89.278 90.998 17.352 1.00 0.00 WT3 H ATOM 36079 OH2 TIP3 100 71.528 22.092 -15.800 1.00 0.00 WT3 O ATOM 36080 H1 TIP3 100 72.419 22.441 -15.823 1.00 0.00 WT3 H ATOM 36081 H2 TIP3 100 71.008 22.730 -16.288 1.00 0.00 WT3 H ATOM 36082 OH2 TIP3 101 72.394 75.037 -17.059 1.00 0.00 WT3 O ATOM 36083 H1 TIP3 101 72.818 75.237 -17.894 1.00 0.00 WT3 H ATOM 36084 H2 TIP3 101 73.085 74.641 -16.528 1.00 0.00 WT3 H ATOM 36085 OH2 TIP3 102 25.662 18.909 29.920 1.00 0.00 WT3 O ATOM 36086 H1 TIP3 102 25.384 19.810 29.757 1.00 0.00 WT3 H ATOM 36087 H2 TIP3 102 25.522 18.780 30.858 1.00 0.00 WT3 H ATOM 36088 OH2 TIP3 104 65.605 11.587 9.578 1.00 0.00 WT3 O ATOM 36089 H1 TIP3 104 66.473 11.595 9.981 1.00 0.00 WT3 H ATOM 36090 H2 TIP3 104 65.388 12.511 9.459 1.00 0.00 WT3 H ATOM 36091 OH2 TIP3 105 46.605 81.822 -15.316 1.00 0.00 WT3 O ATOM 36092 H1 TIP3 105 46.527 82.043 -14.388 1.00 0.00 WT3 H ATOM 36093 H2 TIP3 105 46.500 82.658 -15.771 1.00 0.00 WT3 H ATOM 36094 OH2 TIP3 106 75.926 87.979 25.047 1.00 0.00 WT3 O ATOM 36095 H1 TIP3 106 75.963 87.071 25.347 1.00 0.00 WT3 H ATOM 36096 H2 TIP3 106 75.773 88.489 25.843 1.00 0.00 WT3 H ATOM 36097 OH2 TIP3 107 81.170 50.699 58.604 1.00 0.00 WT3 O ATOM 36098 H1 TIP3 107 80.861 50.936 57.730 1.00 0.00 WT3 H ATOM 36099 H2 TIP3 107 80.855 51.405 59.169 1.00 0.00 WT3 H ATOM 36100 OH2 TIP3 108 35.811 36.414 61.314 1.00 0.00 WT3 O ATOM 36101 H1 TIP3 108 35.838 37.370 61.268 1.00 0.00 WT3 H ATOM 36102 H2 TIP3 108 36.675 36.135 61.012 1.00 0.00 WT3 H ATOM 36103 OH2 TIP3 109 28.188 58.237 28.406 1.00 0.00 WT3 O ATOM 36104 H1 TIP3 109 28.104 57.443 27.878 1.00 0.00 WT3 H ATOM 36105 H2 TIP3 109 28.583 57.940 29.226 1.00 0.00 WT3 H ATOM 36106 OH2 TIP3 110 83.697 82.745 -3.963 1.00 0.00 WT3 O ATOM 36107 H1 TIP3 110 84.203 83.130 -3.248 1.00 0.00 WT3 H ATOM 36108 H2 TIP3 110 84.266 82.063 -4.320 1.00 0.00 WT3 H ATOM 36109 OH2 TIP3 111 37.667 10.765 -1.973 1.00 0.00 WT3 O ATOM 36110 H1 TIP3 111 37.425 11.276 -2.745 1.00 0.00 WT3 H ATOM 36111 H2 TIP3 111 36.831 10.516 -1.578 1.00 0.00 WT3 H ATOM 36112 OH2 TIP3 112 48.123 54.016 66.014 1.00 0.00 WT3 O ATOM 36113 H1 TIP3 112 48.235 54.960 65.908 1.00 0.00 WT3 H ATOM 36114 H2 TIP3 112 47.665 53.920 66.849 1.00 0.00 WT3 H ATOM 36115 OH2 TIP3 113 41.185 36.559 27.046 1.00 0.00 WT3 O ATOM 36116 H1 TIP3 113 41.997 36.128 27.315 1.00 0.00 WT3 H ATOM 36117 H2 TIP3 113 41.071 36.306 26.130 1.00 0.00 WT3 H ATOM 36118 OH2 TIP3 114 88.759 87.902 63.159 1.00 0.00 WT3 O ATOM 36119 H1 TIP3 114 88.194 87.383 62.586 1.00 0.00 WT3 H ATOM 36120 H2 TIP3 114 89.584 87.416 63.185 1.00 0.00 WT3 H ATOM 36121 OH2 TIP3 115 70.276 69.010 12.530 1.00 0.00 WT3 O ATOM 36122 H1 TIP3 115 70.761 69.214 13.330 1.00 0.00 WT3 H ATOM 36123 H2 TIP3 115 69.939 69.855 12.231 1.00 0.00 WT3 H ATOM 36124 OH2 TIP3 118 70.510 54.528 36.793 1.00 0.00 WT3 O ATOM 36125 H1 TIP3 118 70.178 53.684 37.100 1.00 0.00 WT3 H ATOM 36126 H2 TIP3 118 69.971 54.734 36.029 1.00 0.00 WT3 H ATOM 36127 OH2 TIP3 119 60.094 67.415 -11.173 1.00 0.00 WT3 O ATOM 36128 H1 TIP3 119 60.574 67.844 -11.881 1.00 0.00 WT3 H ATOM 36129 H2 TIP3 119 59.355 67.998 -10.996 1.00 0.00 WT3 H ATOM 36130 OH2 TIP3 120 86.017 77.791 48.599 1.00 0.00 WT3 O ATOM 36131 H1 TIP3 120 85.744 78.696 48.449 1.00 0.00 WT3 H ATOM 36132 H2 TIP3 120 86.865 77.865 49.038 1.00 0.00 WT3 H ATOM 36133 OH2 TIP3 121 67.227 48.734 27.968 1.00 0.00 WT3 O ATOM 36134 H1 TIP3 121 66.646 49.140 27.325 1.00 0.00 WT3 H ATOM 36135 H2 TIP3 121 67.694 48.058 27.476 1.00 0.00 WT3 H ATOM 36136 OH2 TIP3 122 83.938 89.347 34.824 1.00 0.00 WT3 O ATOM 36137 H1 TIP3 122 83.110 89.669 34.469 1.00 0.00 WT3 H ATOM 36138 H2 TIP3 122 84.311 90.099 35.283 1.00 0.00 WT3 H ATOM 36139 OH2 TIP3 124 64.342 64.286 -10.181 1.00 0.00 WT3 O ATOM 36140 H1 TIP3 124 63.736 63.546 -10.137 1.00 0.00 WT3 H ATOM 36141 H2 TIP3 124 64.396 64.606 -9.281 1.00 0.00 WT3 H ATOM 36142 OH2 TIP3 125 71.097 63.349 4.296 1.00 0.00 WT3 O ATOM 36143 H1 TIP3 125 70.334 63.915 4.176 1.00 0.00 WT3 H ATOM 36144 H2 TIP3 125 71.631 63.802 4.949 1.00 0.00 WT3 H ATOM 36145 OH2 TIP3 126 86.947 80.965 57.354 1.00 0.00 WT3 O ATOM 36146 H1 TIP3 126 87.138 81.439 58.163 1.00 0.00 WT3 H ATOM 36147 H2 TIP3 126 87.512 81.373 56.698 1.00 0.00 WT3 H ATOM 36148 OH2 TIP3 127 38.354 69.088 51.394 1.00 0.00 WT3 O ATOM 36149 H1 TIP3 127 37.770 68.565 50.844 1.00 0.00 WT3 H ATOM 36150 H2 TIP3 127 39.234 68.823 51.129 1.00 0.00 WT3 H ATOM 36151 OH2 TIP3 128 48.787 3.138 -18.374 1.00 0.00 WT3 O ATOM 36152 H1 TIP3 128 48.963 3.906 -17.830 1.00 0.00 WT3 H ATOM 36153 H2 TIP3 128 48.331 2.530 -17.792 1.00 0.00 WT3 H ATOM 36154 OH2 TIP3 129 43.007 64.080 49.928 1.00 0.00 WT3 O ATOM 36155 H1 TIP3 129 42.679 64.978 49.955 1.00 0.00 WT3 H ATOM 36156 H2 TIP3 129 42.987 63.845 49.001 1.00 0.00 WT3 H ATOM 36157 OH2 TIP3 130 51.780 16.031 21.778 1.00 0.00 WT3 O ATOM 36158 H1 TIP3 130 52.360 16.789 21.700 1.00 0.00 WT3 H ATOM 36159 H2 TIP3 130 50.961 16.313 21.371 1.00 0.00 WT3 H ATOM 36160 OH2 TIP3 131 26.923 4.122 20.125 1.00 0.00 WT3 O ATOM 36161 H1 TIP3 131 27.774 3.918 20.513 1.00 0.00 WT3 H ATOM 36162 H2 TIP3 131 26.396 3.337 20.277 1.00 0.00 WT3 H ATOM 36163 OH2 TIP3 132 66.071 3.421 -10.612 1.00 0.00 WT3 O ATOM 36164 H1 TIP3 132 66.067 4.234 -10.108 1.00 0.00 WT3 H ATOM 36165 H2 TIP3 132 66.972 3.337 -10.924 1.00 0.00 WT3 H ATOM 36166 OH2 TIP3 133 33.642 60.495 62.158 1.00 0.00 WT3 O ATOM 36167 H1 TIP3 133 33.874 61.084 61.439 1.00 0.00 WT3 H ATOM 36168 H2 TIP3 133 34.481 60.260 62.555 1.00 0.00 WT3 H ATOM 36169 OH2 TIP3 134 89.944 91.768 -19.260 1.00 0.00 WT3 O ATOM 36170 H1 TIP3 134 89.922 92.385 -18.528 1.00 0.00 WT3 H ATOM 36171 H2 TIP3 134 89.611 92.268 -20.005 1.00 0.00 WT3 H ATOM 36172 OH2 TIP3 135 54.082 93.276 48.603 1.00 0.00 WT3 O ATOM 36173 H1 TIP3 135 54.906 93.716 48.809 1.00 0.00 WT3 H ATOM 36174 H2 TIP3 135 54.055 93.252 47.647 1.00 0.00 WT3 H ATOM 36175 OH2 TIP3 136 80.661 83.701 31.004 1.00 0.00 WT3 O ATOM 36176 H1 TIP3 136 79.884 84.197 30.745 1.00 0.00 WT3 H ATOM 36177 H2 TIP3 136 80.343 82.806 31.128 1.00 0.00 WT3 H ATOM 36178 OH2 TIP3 137 51.006 7.227 55.880 1.00 0.00 WT3 O ATOM 36179 H1 TIP3 137 51.012 8.129 56.200 1.00 0.00 WT3 H ATOM 36180 H2 TIP3 137 50.087 6.961 55.928 1.00 0.00 WT3 H ATOM 36181 OH2 TIP3 138 71.167 31.160 19.783 1.00 0.00 WT3 O ATOM 36182 H1 TIP3 138 70.558 31.420 20.474 1.00 0.00 WT3 H ATOM 36183 H2 TIP3 138 72.008 31.062 20.229 1.00 0.00 WT3 H ATOM 36184 OH2 TIP3 139 24.469 74.105 13.211 1.00 0.00 WT3 O ATOM 36185 H1 TIP3 139 24.275 74.044 12.276 1.00 0.00 WT3 H ATOM 36186 H2 TIP3 139 24.992 74.902 13.297 1.00 0.00 WT3 H ATOM 36187 OH2 TIP3 140 32.419 49.903 22.063 1.00 0.00 WT3 O ATOM 36188 H1 TIP3 140 32.993 50.405 21.484 1.00 0.00 WT3 H ATOM 36189 H2 TIP3 140 32.268 50.481 22.811 1.00 0.00 WT3 H ATOM 36190 OH2 TIP3 141 75.627 86.410 35.233 1.00 0.00 WT3 O ATOM 36191 H1 TIP3 141 76.083 86.644 36.041 1.00 0.00 WT3 H ATOM 36192 H2 TIP3 141 75.059 87.159 35.052 1.00 0.00 WT3 H ATOM 36193 OH2 TIP3 142 81.546 93.180 22.586 1.00 0.00 WT3 O ATOM 36194 H1 TIP3 142 80.607 93.086 22.425 1.00 0.00 WT3 H ATOM 36195 H2 TIP3 142 81.613 93.911 23.200 1.00 0.00 WT3 H ATOM 36196 OH2 TIP3 143 40.080 73.548 51.938 1.00 0.00 WT3 O ATOM 36197 H1 TIP3 143 40.467 73.423 51.072 1.00 0.00 WT3 H ATOM 36198 H2 TIP3 143 39.162 73.302 51.829 1.00 0.00 WT3 H ATOM 36199 OH2 TIP3 144 62.957 89.828 60.680 1.00 0.00 WT3 O ATOM 36200 H1 TIP3 144 62.952 90.312 59.854 1.00 0.00 WT3 H ATOM 36201 H2 TIP3 144 62.150 89.314 60.663 1.00 0.00 WT3 H ATOM 36202 OH2 TIP3 145 68.412 67.192 1.201 1.00 0.00 WT3 O ATOM 36203 H1 TIP3 145 67.591 67.684 1.195 1.00 0.00 WT3 H ATOM 36204 H2 TIP3 145 68.476 66.842 2.089 1.00 0.00 WT3 H ATOM 36205 OH2 TIP3 147 47.251 86.909 20.025 1.00 0.00 WT3 O ATOM 36206 H1 TIP3 147 46.563 87.063 19.377 1.00 0.00 WT3 H ATOM 36207 H2 TIP3 147 46.946 86.150 20.522 1.00 0.00 WT3 H ATOM 36208 OH2 TIP3 148 34.404 0.626 41.352 1.00 0.00 WT3 O ATOM 36209 H1 TIP3 148 33.705 -0.006 41.520 1.00 0.00 WT3 H ATOM 36210 H2 TIP3 148 34.494 0.637 40.400 1.00 0.00 WT3 H ATOM 36211 OH2 TIP3 149 86.698 84.018 -14.855 1.00 0.00 WT3 O ATOM 36212 H1 TIP3 149 86.433 83.298 -15.427 1.00 0.00 WT3 H ATOM 36213 H2 TIP3 149 87.193 83.596 -14.152 1.00 0.00 WT3 H ATOM 36214 OH2 TIP3 150 45.712 64.798 -18.114 1.00 0.00 WT3 O ATOM 36215 H1 TIP3 150 45.724 64.528 -17.196 1.00 0.00 WT3 H ATOM 36216 H2 TIP3 150 46.594 65.131 -18.277 1.00 0.00 WT3 H ATOM 36217 OH2 TIP3 151 44.072 55.817 -13.515 1.00 0.00 WT3 O ATOM 36218 H1 TIP3 151 44.863 55.478 -13.935 1.00 0.00 WT3 H ATOM 36219 H2 TIP3 151 44.389 56.271 -12.735 1.00 0.00 WT3 H ATOM 36220 OH2 TIP3 152 80.110 58.557 -10.318 1.00 0.00 WT3 O ATOM 36221 H1 TIP3 152 80.054 59.002 -9.472 1.00 0.00 WT3 H ATOM 36222 H2 TIP3 152 79.680 57.714 -10.175 1.00 0.00 WT3 H ATOM 36223 OH2 TIP3 154 27.959 73.932 31.902 1.00 0.00 WT3 O ATOM 36224 H1 TIP3 154 28.822 73.529 31.806 1.00 0.00 WT3 H ATOM 36225 H2 TIP3 154 28.060 74.808 31.530 1.00 0.00 WT3 H ATOM 36226 OH2 TIP3 155 82.126 78.719 28.741 1.00 0.00 WT3 O ATOM 36227 H1 TIP3 155 81.237 78.893 28.431 1.00 0.00 WT3 H ATOM 36228 H2 TIP3 155 82.247 77.779 28.607 1.00 0.00 WT3 H ATOM 36229 OH2 TIP3 156 90.038 61.588 -16.743 1.00 0.00 WT3 O ATOM 36230 H1 TIP3 156 90.055 61.198 -15.869 1.00 0.00 WT3 H ATOM 36231 H2 TIP3 156 90.714 62.266 -16.716 1.00 0.00 WT3 H ATOM 36232 OH2 TIP3 157 34.594 25.279 -3.609 1.00 0.00 WT3 O ATOM 36233 H1 TIP3 157 34.371 25.913 -2.927 1.00 0.00 WT3 H ATOM 36234 H2 TIP3 157 35.545 25.349 -3.699 1.00 0.00 WT3 H ATOM 36235 OH2 TIP3 158 31.802 60.799 13.038 1.00 0.00 WT3 O ATOM 36236 H1 TIP3 158 32.094 61.693 13.217 1.00 0.00 WT3 H ATOM 36237 H2 TIP3 158 32.428 60.466 12.396 1.00 0.00 WT3 H ATOM 36238 OH2 TIP3 159 63.922 65.383 35.977 1.00 0.00 WT3 O ATOM 36239 H1 TIP3 159 63.181 65.885 35.636 1.00 0.00 WT3 H ATOM 36240 H2 TIP3 159 63.697 64.471 35.795 1.00 0.00 WT3 H ATOM 36241 OH2 TIP3 160 62.321 76.019 45.967 1.00 0.00 WT3 O ATOM 36242 H1 TIP3 160 62.654 75.940 45.074 1.00 0.00 WT3 H ATOM 36243 H2 TIP3 160 61.525 75.487 45.975 1.00 0.00 WT3 H ATOM 36244 OH2 TIP3 161 72.070 34.740 -9.720 1.00 0.00 WT3 O ATOM 36245 H1 TIP3 161 72.958 35.044 -9.907 1.00 0.00 WT3 H ATOM 36246 H2 TIP3 161 72.172 34.146 -8.976 1.00 0.00 WT3 H ATOM 36247 OH2 TIP3 162 85.381 36.057 15.895 1.00 0.00 WT3 O ATOM 36248 H1 TIP3 162 85.677 35.698 16.731 1.00 0.00 WT3 H ATOM 36249 H2 TIP3 162 85.971 35.672 15.247 1.00 0.00 WT3 H ATOM 36250 OH2 TIP3 164 46.621 16.899 -6.735 1.00 0.00 WT3 O ATOM 36251 H1 TIP3 164 45.985 17.599 -6.880 1.00 0.00 WT3 H ATOM 36252 H2 TIP3 164 46.206 16.328 -6.088 1.00 0.00 WT3 H ATOM 36253 OH2 TIP3 165 90.643 38.626 45.173 1.00 0.00 WT3 O ATOM 36254 H1 TIP3 165 90.012 38.132 44.650 1.00 0.00 WT3 H ATOM 36255 H2 TIP3 165 90.161 39.402 45.461 1.00 0.00 WT3 H ATOM 36256 OH2 TIP3 166 26.768 20.244 -9.172 1.00 0.00 WT3 O ATOM 36257 H1 TIP3 166 26.537 19.360 -9.458 1.00 0.00 WT3 H ATOM 36258 H2 TIP3 166 26.318 20.351 -8.334 1.00 0.00 WT3 H ATOM 36259 OH2 TIP3 167 43.518 70.794 57.685 1.00 0.00 WT3 O ATOM 36260 H1 TIP3 167 43.018 71.608 57.630 1.00 0.00 WT3 H ATOM 36261 H2 TIP3 167 43.603 70.627 58.624 1.00 0.00 WT3 H ATOM 36262 OH2 TIP3 169 50.706 55.382 57.861 1.00 0.00 WT3 O ATOM 36263 H1 TIP3 169 50.807 56.189 58.366 1.00 0.00 WT3 H ATOM 36264 H2 TIP3 169 50.234 55.650 57.072 1.00 0.00 WT3 H ATOM 36265 OH2 TIP3 171 41.501 40.814 -10.740 1.00 0.00 WT3 O ATOM 36266 H1 TIP3 171 41.513 41.337 -9.939 1.00 0.00 WT3 H ATOM 36267 H2 TIP3 171 41.521 39.907 -10.435 1.00 0.00 WT3 H ATOM 36268 OH2 TIP3 176 68.732 69.702 33.963 1.00 0.00 WT3 O ATOM 36269 H1 TIP3 176 68.081 69.458 34.621 1.00 0.00 WT3 H ATOM 36270 H2 TIP3 176 68.225 69.842 33.164 1.00 0.00 WT3 H ATOM 36271 OH2 TIP3 177 87.611 3.928 56.240 1.00 0.00 WT3 O ATOM 36272 H1 TIP3 177 87.375 3.096 56.651 1.00 0.00 WT3 H ATOM 36273 H2 TIP3 177 88.462 3.763 55.834 1.00 0.00 WT3 H ATOM 36274 OH2 TIP3 180 79.596 62.335 -14.442 1.00 0.00 WT3 O ATOM 36275 H1 TIP3 180 78.778 62.789 -14.240 1.00 0.00 WT3 H ATOM 36276 H2 TIP3 180 79.694 62.428 -15.389 1.00 0.00 WT3 H ATOM 36277 OH2 TIP3 182 26.726 32.747 30.652 1.00 0.00 WT3 O ATOM 36278 H1 TIP3 182 27.056 33.430 30.068 1.00 0.00 WT3 H ATOM 36279 H2 TIP3 182 26.567 31.997 30.078 1.00 0.00 WT3 H ATOM 36280 OH2 TIP3 183 45.678 72.580 28.850 1.00 0.00 WT3 O ATOM 36281 H1 TIP3 183 46.630 72.494 28.908 1.00 0.00 WT3 H ATOM 36282 H2 TIP3 183 45.509 72.753 27.924 1.00 0.00 WT3 H ATOM 36283 OH2 TIP3 184 52.751 92.701 -11.144 1.00 0.00 WT3 O ATOM 36284 H1 TIP3 184 52.427 92.172 -10.415 1.00 0.00 WT3 H ATOM 36285 H2 TIP3 184 53.497 93.179 -10.781 1.00 0.00 WT3 H ATOM 36286 OH2 TIP3 186 64.039 85.774 -17.416 1.00 0.00 WT3 O ATOM 36287 H1 TIP3 186 63.397 86.082 -16.776 1.00 0.00 WT3 H ATOM 36288 H2 TIP3 186 64.293 86.560 -17.899 1.00 0.00 WT3 H ATOM 36289 OH2 TIP3 187 33.984 60.251 21.628 1.00 0.00 WT3 O ATOM 36290 H1 TIP3 187 34.788 60.616 21.259 1.00 0.00 WT3 H ATOM 36291 H2 TIP3 187 34.013 60.492 22.554 1.00 0.00 WT3 H ATOM 36292 OH2 TIP3 188 22.445 49.336 -3.540 1.00 0.00 WT3 O ATOM 36293 H1 TIP3 188 22.893 48.581 -3.160 1.00 0.00 WT3 H ATOM 36294 H2 TIP3 188 22.275 49.083 -4.447 1.00 0.00 WT3 H ATOM 36295 OH2 TIP3 192 70.300 23.445 -3.320 1.00 0.00 WT3 O ATOM 36296 H1 TIP3 192 70.625 22.622 -2.956 1.00 0.00 WT3 H ATOM 36297 H2 TIP3 192 70.795 24.123 -2.861 1.00 0.00 WT3 H ATOM 36298 OH2 TIP3 193 62.676 33.693 2.345 1.00 0.00 WT3 O ATOM 36299 H1 TIP3 193 62.959 34.553 2.032 1.00 0.00 WT3 H ATOM 36300 H2 TIP3 193 61.866 33.867 2.825 1.00 0.00 WT3 H ATOM 36301 OH2 TIP3 197 42.655 74.809 63.189 1.00 0.00 WT3 O ATOM 36302 H1 TIP3 197 42.657 74.166 62.480 1.00 0.00 WT3 H ATOM 36303 H2 TIP3 197 42.958 74.323 63.956 1.00 0.00 WT3 H ATOM 36304 OH2 TIP3 200 61.768 29.560 32.878 1.00 0.00 WT3 O ATOM 36305 H1 TIP3 200 61.262 30.037 32.220 1.00 0.00 WT3 H ATOM 36306 H2 TIP3 200 61.527 28.643 32.748 1.00 0.00 WT3 H ATOM 36307 OH2 TIP3 201 55.391 96.150 10.729 1.00 0.00 WT3 O ATOM 36308 H1 TIP3 201 54.768 96.875 10.675 1.00 0.00 WT3 H ATOM 36309 H2 TIP3 201 56.156 96.523 11.168 1.00 0.00 WT3 H ATOM 36310 OH2 TIP3 203 71.426 62.608 53.978 1.00 0.00 WT3 O ATOM 36311 H1 TIP3 203 71.121 63.407 53.548 1.00 0.00 WT3 H ATOM 36312 H2 TIP3 203 70.697 62.344 54.539 1.00 0.00 WT3 H ATOM 36313 OH2 TIP3 204 42.923 10.711 21.651 1.00 0.00 WT3 O ATOM 36314 H1 TIP3 204 43.396 10.259 22.349 1.00 0.00 WT3 H ATOM 36315 H2 TIP3 204 43.512 11.416 21.380 1.00 0.00 WT3 H ATOM 36316 OH2 TIP3 210 70.394 52.736 33.901 1.00 0.00 WT3 O ATOM 36317 H1 TIP3 210 69.792 52.010 33.735 1.00 0.00 WT3 H ATOM 36318 H2 TIP3 210 69.859 53.522 33.789 1.00 0.00 WT3 H ATOM 36319 OH2 TIP3 212 90.597 74.811 6.598 1.00 0.00 WT3 O ATOM 36320 H1 TIP3 212 90.457 74.906 5.656 1.00 0.00 WT3 H ATOM 36321 H2 TIP3 212 89.732 74.598 6.949 1.00 0.00 WT3 H ATOM 36322 OH2 TIP3 215 55.454 45.016 49.181 1.00 0.00 WT3 O ATOM 36323 H1 TIP3 215 55.312 45.932 49.423 1.00 0.00 WT3 H ATOM 36324 H2 TIP3 215 55.363 44.534 50.003 1.00 0.00 WT3 H ATOM 36325 OH2 TIP3 221 87.300 59.138 28.702 1.00 0.00 WT3 O ATOM 36326 H1 TIP3 221 87.245 59.120 29.657 1.00 0.00 WT3 H ATOM 36327 H2 TIP3 221 88.141 59.558 28.518 1.00 0.00 WT3 H ATOM 36328 OH2 TIP3 223 67.628 52.849 40.502 1.00 0.00 WT3 O ATOM 36329 H1 TIP3 223 66.834 52.407 40.203 1.00 0.00 WT3 H ATOM 36330 H2 TIP3 223 67.520 52.921 41.451 1.00 0.00 WT3 H ATOM 36331 OH2 TIP3 225 67.418 40.947 -0.335 1.00 0.00 WT3 O ATOM 36332 H1 TIP3 225 68.085 40.267 -0.430 1.00 0.00 WT3 H ATOM 36333 H2 TIP3 225 66.915 40.906 -1.148 1.00 0.00 WT3 H ATOM 36334 OH2 TIP3 232 52.852 2.227 33.534 1.00 0.00 WT3 O ATOM 36335 H1 TIP3 232 52.428 3.084 33.484 1.00 0.00 WT3 H ATOM 36336 H2 TIP3 232 53.134 2.046 32.637 1.00 0.00 WT3 H ATOM 36337 OH2 TIP3 234 80.311 92.832 3.210 1.00 0.00 WT3 O ATOM 36338 H1 TIP3 234 80.239 93.585 3.796 1.00 0.00 WT3 H ATOM 36339 H2 TIP3 234 80.932 93.110 2.536 1.00 0.00 WT3 H ATOM 36340 OH2 TIP3 236 69.009 76.403 -5.866 1.00 0.00 WT3 O ATOM 36341 H1 TIP3 236 68.505 75.593 -5.796 1.00 0.00 WT3 H ATOM 36342 H2 TIP3 236 69.665 76.221 -6.538 1.00 0.00 WT3 H ATOM 36343 OH2 TIP3 237 36.789 22.095 37.824 1.00 0.00 WT3 O ATOM 36344 H1 TIP3 237 37.607 22.321 37.381 1.00 0.00 WT3 H ATOM 36345 H2 TIP3 237 36.697 21.151 37.691 1.00 0.00 WT3 H ATOM 36346 OH2 TIP3 239 44.001 78.149 -6.811 1.00 0.00 WT3 O ATOM 36347 H1 TIP3 239 44.290 79.023 -6.549 1.00 0.00 WT3 H ATOM 36348 H2 TIP3 239 44.431 77.996 -7.652 1.00 0.00 WT3 H ATOM 36349 OH2 TIP3 241 89.128 2.175 66.057 1.00 0.00 WT3 O ATOM 36350 H1 TIP3 241 89.465 1.456 65.521 1.00 0.00 WT3 H ATOM 36351 H2 TIP3 241 88.532 2.648 65.476 1.00 0.00 WT3 H ATOM 36352 OH2 TIP3 245 64.390 61.862 36.079 1.00 0.00 WT3 O ATOM 36353 H1 TIP3 245 64.419 62.089 37.008 1.00 0.00 WT3 H ATOM 36354 H2 TIP3 245 63.682 61.222 36.010 1.00 0.00 WT3 H ATOM 36355 OH2 TIP3 256 46.284 88.744 67.510 1.00 0.00 WT3 O ATOM 36356 H1 TIP3 256 46.019 89.245 66.739 1.00 0.00 WT3 H ATOM 36357 H2 TIP3 256 46.914 88.105 67.178 1.00 0.00 WT3 H ATOM 36358 OH2 TIP3 261 78.035 29.440 -14.578 1.00 0.00 WT3 O ATOM 36359 H1 TIP3 261 77.118 29.423 -14.851 1.00 0.00 WT3 H ATOM 36360 H2 TIP3 261 78.051 28.944 -13.760 1.00 0.00 WT3 H ATOM 36361 OH2 TIP3 268 88.329 73.444 39.578 1.00 0.00 WT3 O ATOM 36362 H1 TIP3 268 88.458 73.788 38.693 1.00 0.00 WT3 H ATOM 36363 H2 TIP3 268 88.347 72.493 39.471 1.00 0.00 WT3 H ATOM 36364 OH2 TIP3 270 32.513 92.680 10.668 1.00 0.00 WT3 O ATOM 36365 H1 TIP3 270 32.561 93.485 10.152 1.00 0.00 WT3 H ATOM 36366 H2 TIP3 270 33.273 92.720 11.248 1.00 0.00 WT3 H ATOM 36367 OH2 TIP3 272 74.290 71.714 52.017 1.00 0.00 WT3 O ATOM 36368 H1 TIP3 272 73.742 71.453 51.277 1.00 0.00 WT3 H ATOM 36369 H2 TIP3 272 74.827 70.944 52.203 1.00 0.00 WT3 H ATOM 36370 OH2 TIP3 282 45.490 85.650 2.144 1.00 0.00 WT3 O ATOM 36371 H1 TIP3 282 45.421 84.732 1.882 1.00 0.00 WT3 H ATOM 36372 H2 TIP3 282 45.959 86.071 1.424 1.00 0.00 WT3 H ATOM 36373 OH2 TIP3 287 80.492 43.329 37.889 1.00 0.00 WT3 O ATOM 36374 H1 TIP3 287 80.291 42.544 37.380 1.00 0.00 WT3 H ATOM 36375 H2 TIP3 287 80.910 42.998 38.685 1.00 0.00 WT3 H ATOM 36376 OH2 TIP3 290 68.860 59.355 -0.062 1.00 0.00 WT3 O ATOM 36377 H1 TIP3 290 68.939 59.989 0.651 1.00 0.00 WT3 H ATOM 36378 H2 TIP3 290 69.740 58.990 -0.156 1.00 0.00 WT3 H ATOM 36379 OH2 TIP3 313 21.453 32.507 25.131 1.00 0.00 WT3 O ATOM 36380 H1 TIP3 313 21.565 33.278 24.575 1.00 0.00 WT3 H ATOM 36381 H2 TIP3 313 22.264 32.456 25.636 1.00 0.00 WT3 H ATOM 36382 OH2 TIP3 360 62.864 23.642 3.411 1.00 0.00 WT3 O ATOM 36383 H1 TIP3 360 63.686 23.190 3.603 1.00 0.00 WT3 H ATOM 36384 H2 TIP3 360 63.130 24.443 2.960 1.00 0.00 WT3 H ATOM 36385 OH2 TIP3 365 89.332 50.534 3.577 1.00 0.00 WT3 O ATOM 36386 H1 TIP3 365 89.644 51.045 4.324 1.00 0.00 WT3 H ATOM 36387 H2 TIP3 365 88.837 49.815 3.969 1.00 0.00 WT3 H ATOM 36388 OH2 TIP3 370 48.251 83.473 27.750 1.00 0.00 WT3 O ATOM 36389 H1 TIP3 370 47.343 83.748 27.618 1.00 0.00 WT3 H ATOM 36390 H2 TIP3 370 48.255 82.542 27.528 1.00 0.00 WT3 H ATOM 36391 OH2 TIP3 379 84.285 10.895 61.936 1.00 0.00 WT3 O ATOM 36392 H1 TIP3 379 83.919 10.028 61.758 1.00 0.00 WT3 H ATOM 36393 H2 TIP3 379 84.796 11.105 61.154 1.00 0.00 WT3 H ATOM 36394 OH2 TIP3 400 75.932 21.335 50.711 1.00 0.00 WT3 O ATOM 36395 H1 TIP3 400 75.526 21.271 49.846 1.00 0.00 WT3 H ATOM 36396 H2 TIP3 400 76.742 21.821 50.559 1.00 0.00 WT3 H ATOM 36397 OH2 TIP3 407 46.577 57.958 -1.019 1.00 0.00 WT3 O ATOM 36398 H1 TIP3 407 46.601 57.135 -0.531 1.00 0.00 WT3 H ATOM 36399 H2 TIP3 407 46.977 58.598 -0.430 1.00 0.00 WT3 H ATOM 36400 OH2 TIP3 408 28.800 36.827 30.182 1.00 0.00 WT3 O ATOM 36401 H1 TIP3 408 29.476 36.993 29.524 1.00 0.00 WT3 H ATOM 36402 H2 TIP3 408 28.798 35.876 30.289 1.00 0.00 WT3 H ATOM 36403 OH2 TIP3 411 54.997 3.174 25.008 1.00 0.00 WT3 O ATOM 36404 H1 TIP3 411 54.821 3.511 25.886 1.00 0.00 WT3 H ATOM 36405 H2 TIP3 411 54.223 2.654 24.791 1.00 0.00 WT3 H ATOM 36406 OH2 TIP3 412 80.316 16.121 64.051 1.00 0.00 WT3 O ATOM 36407 H1 TIP3 412 80.526 15.551 63.311 1.00 0.00 WT3 H ATOM 36408 H2 TIP3 412 79.529 15.735 64.436 1.00 0.00 WT3 H ATOM 36409 OH2 TIP3 413 82.890 40.250 44.825 1.00 0.00 WT3 O ATOM 36410 H1 TIP3 413 82.107 40.383 45.358 1.00 0.00 WT3 H ATOM 36411 H2 TIP3 413 83.541 39.904 45.436 1.00 0.00 WT3 H ATOM 36412 OH2 TIP3 417 36.259 3.166 28.462 1.00 0.00 WT3 O ATOM 36413 H1 TIP3 417 36.432 3.585 29.305 1.00 0.00 WT3 H ATOM 36414 H2 TIP3 417 35.752 3.814 27.972 1.00 0.00 WT3 H ATOM 36415 OH2 TIP3 421 57.672 66.848 -18.106 1.00 0.00 WT3 O ATOM 36416 H1 TIP3 421 57.204 66.028 -17.946 1.00 0.00 WT3 H ATOM 36417 H2 TIP3 421 57.098 67.526 -17.750 1.00 0.00 WT3 H ATOM 36418 OH2 TIP3 424 24.666 73.936 19.324 1.00 0.00 WT3 O ATOM 36419 H1 TIP3 424 25.511 74.370 19.202 1.00 0.00 WT3 H ATOM 36420 H2 TIP3 424 24.245 74.424 20.032 1.00 0.00 WT3 H ATOM 36421 OH2 TIP3 429 53.824 16.273 5.651 1.00 0.00 WT3 O ATOM 36422 H1 TIP3 429 54.371 16.502 4.900 1.00 0.00 WT3 H ATOM 36423 H2 TIP3 429 52.990 16.713 5.484 1.00 0.00 WT3 H ATOM 36424 OH2 TIP3 430 88.150 56.924 22.340 1.00 0.00 WT3 O ATOM 36425 H1 TIP3 430 88.541 56.485 21.585 1.00 0.00 WT3 H ATOM 36426 H2 TIP3 430 87.248 57.102 22.073 1.00 0.00 WT3 H ATOM 36427 OH2 TIP3 432 65.714 48.064 39.199 1.00 0.00 WT3 O ATOM 36428 H1 TIP3 432 64.757 48.078 39.185 1.00 0.00 WT3 H ATOM 36429 H2 TIP3 432 65.961 47.701 38.348 1.00 0.00 WT3 H ATOM 36430 OH2 TIP3 434 42.207 42.866 55.547 1.00 0.00 WT3 O ATOM 36431 H1 TIP3 434 41.463 43.426 55.770 1.00 0.00 WT3 H ATOM 36432 H2 TIP3 434 42.727 42.826 56.350 1.00 0.00 WT3 H ATOM 36433 OH2 TIP3 436 49.731 35.897 23.014 1.00 0.00 WT3 O ATOM 36434 H1 TIP3 436 49.762 34.969 23.248 1.00 0.00 WT3 H ATOM 36435 H2 TIP3 436 50.354 35.984 22.292 1.00 0.00 WT3 H ATOM 36436 OH2 TIP3 437 90.180 33.848 -16.864 1.00 0.00 WT3 O ATOM 36437 H1 TIP3 437 89.956 34.598 -17.415 1.00 0.00 WT3 H ATOM 36438 H2 TIP3 437 91.116 33.712 -17.012 1.00 0.00 WT3 H ATOM 36439 OH2 TIP3 438 61.229 71.317 32.263 1.00 0.00 WT3 O ATOM 36440 H1 TIP3 438 60.857 70.517 32.634 1.00 0.00 WT3 H ATOM 36441 H2 TIP3 438 60.671 71.515 31.511 1.00 0.00 WT3 H ATOM 36442 OH2 TIP3 440 52.784 78.528 53.360 1.00 0.00 WT3 O ATOM 36443 H1 TIP3 440 52.405 77.671 53.166 1.00 0.00 WT3 H ATOM 36444 H2 TIP3 440 52.570 79.064 52.596 1.00 0.00 WT3 H ATOM 36445 OH2 TIP3 441 27.592 36.755 45.108 1.00 0.00 WT3 O ATOM 36446 H1 TIP3 441 28.335 37.256 45.446 1.00 0.00 WT3 H ATOM 36447 H2 TIP3 441 27.546 36.990 44.182 1.00 0.00 WT3 H ATOM 36448 OH2 TIP3 442 23.421 3.743 -15.241 1.00 0.00 WT3 O ATOM 36449 H1 TIP3 442 24.306 4.093 -15.348 1.00 0.00 WT3 H ATOM 36450 H2 TIP3 442 23.449 2.885 -15.666 1.00 0.00 WT3 H ATOM 36451 OH2 TIP3 443 67.613 71.515 0.677 1.00 0.00 WT3 O ATOM 36452 H1 TIP3 443 66.959 71.459 -0.020 1.00 0.00 WT3 H ATOM 36453 H2 TIP3 443 68.439 71.293 0.248 1.00 0.00 WT3 H ATOM 36454 OH2 TIP3 444 82.825 57.641 58.031 1.00 0.00 WT3 O ATOM 36455 H1 TIP3 444 82.601 58.317 58.671 1.00 0.00 WT3 H ATOM 36456 H2 TIP3 444 83.520 57.133 58.451 1.00 0.00 WT3 H ATOM 36457 OH2 TIP3 447 50.130 91.865 31.543 1.00 0.00 WT3 O ATOM 36458 H1 TIP3 447 50.133 91.538 30.644 1.00 0.00 WT3 H ATOM 36459 H2 TIP3 447 49.248 92.215 31.669 1.00 0.00 WT3 H ATOM 36460 OH2 TIP3 449 49.793 90.162 12.044 1.00 0.00 WT3 O ATOM 36461 H1 TIP3 449 49.033 89.726 12.430 1.00 0.00 WT3 H ATOM 36462 H2 TIP3 449 49.886 90.971 12.548 1.00 0.00 WT3 H ATOM 36463 OH2 TIP3 450 83.859 0.791 7.392 1.00 0.00 WT3 O ATOM 36464 H1 TIP3 450 84.281 1.157 6.615 1.00 0.00 WT3 H ATOM 36465 H2 TIP3 450 83.028 1.262 7.458 1.00 0.00 WT3 H ATOM 36466 OH2 TIP3 451 70.482 92.702 57.518 1.00 0.00 WT3 O ATOM 36467 H1 TIP3 451 70.272 93.399 58.141 1.00 0.00 WT3 H ATOM 36468 H2 TIP3 451 69.901 92.862 56.775 1.00 0.00 WT3 H ATOM 36469 OH2 TIP3 452 78.480 91.933 4.968 1.00 0.00 WT3 O ATOM 36470 H1 TIP3 452 79.123 92.274 4.346 1.00 0.00 WT3 H ATOM 36471 H2 TIP3 452 78.430 92.602 5.651 1.00 0.00 WT3 H ATOM 36472 OH2 TIP3 453 22.011 85.760 53.039 1.00 0.00 WT3 O ATOM 36473 H1 TIP3 453 21.113 86.072 53.155 1.00 0.00 WT3 H ATOM 36474 H2 TIP3 453 22.377 85.752 53.924 1.00 0.00 WT3 H ATOM 36475 OH2 TIP3 455 22.687 39.927 21.601 1.00 0.00 WT3 O ATOM 36476 H1 TIP3 455 23.192 39.711 20.816 1.00 0.00 WT3 H ATOM 36477 H2 TIP3 455 21.939 39.330 21.577 1.00 0.00 WT3 H ATOM 36478 OH2 TIP3 457 23.185 19.192 40.914 1.00 0.00 WT3 O ATOM 36479 H1 TIP3 457 22.697 18.433 41.235 1.00 0.00 WT3 H ATOM 36480 H2 TIP3 457 23.977 18.821 40.525 1.00 0.00 WT3 H ATOM 36481 OH2 TIP3 458 27.334 80.456 46.065 1.00 0.00 WT3 O ATOM 36482 H1 TIP3 458 27.766 79.651 46.352 1.00 0.00 WT3 H ATOM 36483 H2 TIP3 458 26.443 80.385 46.406 1.00 0.00 WT3 H ATOM 36484 OH2 TIP3 459 72.045 39.936 41.481 1.00 0.00 WT3 O ATOM 36485 H1 TIP3 459 71.159 39.587 41.393 1.00 0.00 WT3 H ATOM 36486 H2 TIP3 459 72.196 40.418 40.668 1.00 0.00 WT3 H ATOM 36487 OH2 TIP3 461 49.445 7.421 -2.580 1.00 0.00 WT3 O ATOM 36488 H1 TIP3 461 49.139 8.059 -1.936 1.00 0.00 WT3 H ATOM 36489 H2 TIP3 461 50.234 7.044 -2.189 1.00 0.00 WT3 H ATOM 36490 OH2 TIP3 462 67.232 62.779 30.253 1.00 0.00 WT3 O ATOM 36491 H1 TIP3 462 67.377 62.096 29.599 1.00 0.00 WT3 H ATOM 36492 H2 TIP3 462 66.361 63.121 30.055 1.00 0.00 WT3 H ATOM 36493 OH2 TIP3 463 57.475 72.390 37.535 1.00 0.00 WT3 O ATOM 36494 H1 TIP3 463 57.836 71.504 37.537 1.00 0.00 WT3 H ATOM 36495 H2 TIP3 463 57.169 72.523 36.638 1.00 0.00 WT3 H ATOM 36496 OH2 TIP3 465 50.218 5.335 -10.653 1.00 0.00 WT3 O ATOM 36497 H1 TIP3 465 50.676 5.111 -9.843 1.00 0.00 WT3 H ATOM 36498 H2 TIP3 465 49.292 5.210 -10.447 1.00 0.00 WT3 H ATOM 36499 OH2 TIP3 466 80.197 36.437 -1.932 1.00 0.00 WT3 O ATOM 36500 H1 TIP3 466 80.662 37.008 -2.542 1.00 0.00 WT3 H ATOM 36501 H2 TIP3 466 80.365 36.819 -1.070 1.00 0.00 WT3 H ATOM 36502 OH2 TIP3 467 79.817 57.021 -3.028 1.00 0.00 WT3 O ATOM 36503 H1 TIP3 467 80.338 57.793 -2.804 1.00 0.00 WT3 H ATOM 36504 H2 TIP3 467 79.213 57.328 -3.704 1.00 0.00 WT3 H ATOM 36505 OH2 TIP3 469 73.246 29.900 -13.135 1.00 0.00 WT3 O ATOM 36506 H1 TIP3 469 73.205 30.095 -12.199 1.00 0.00 WT3 H ATOM 36507 H2 TIP3 469 73.485 30.732 -13.543 1.00 0.00 WT3 H ATOM 36508 OH2 TIP3 473 32.123 80.775 45.170 1.00 0.00 WT3 O ATOM 36509 H1 TIP3 473 32.121 80.031 45.772 1.00 0.00 WT3 H ATOM 36510 H2 TIP3 473 32.649 80.481 44.426 1.00 0.00 WT3 H ATOM 36511 OH2 TIP3 474 22.972 55.600 16.973 1.00 0.00 WT3 O ATOM 36512 H1 TIP3 474 23.682 55.984 16.458 1.00 0.00 WT3 H ATOM 36513 H2 TIP3 474 22.557 54.973 16.381 1.00 0.00 WT3 H ATOM 36514 OH2 TIP3 478 36.268 96.132 9.958 1.00 0.00 WT3 O ATOM 36515 H1 TIP3 478 36.347 96.670 10.745 1.00 0.00 WT3 H ATOM 36516 H2 TIP3 478 37.166 96.039 9.639 1.00 0.00 WT3 H ATOM 36517 OH2 TIP3 479 75.699 71.329 -11.067 1.00 0.00 WT3 O ATOM 36518 H1 TIP3 479 75.880 71.938 -10.351 1.00 0.00 WT3 H ATOM 36519 H2 TIP3 479 75.431 70.520 -10.632 1.00 0.00 WT3 H ATOM 36520 OH2 TIP3 484 61.037 52.589 -6.676 1.00 0.00 WT3 O ATOM 36521 H1 TIP3 484 60.564 53.268 -6.195 1.00 0.00 WT3 H ATOM 36522 H2 TIP3 484 61.684 53.069 -7.194 1.00 0.00 WT3 H ATOM 36523 OH2 TIP3 485 77.065 20.887 45.265 1.00 0.00 WT3 O ATOM 36524 H1 TIP3 485 77.836 20.847 45.830 1.00 0.00 WT3 H ATOM 36525 H2 TIP3 485 76.572 20.094 45.475 1.00 0.00 WT3 H ATOM 36526 OH2 TIP3 486 30.497 46.461 36.571 1.00 0.00 WT3 O ATOM 36527 H1 TIP3 486 30.634 45.857 35.841 1.00 0.00 WT3 H ATOM 36528 H2 TIP3 486 30.290 45.895 37.314 1.00 0.00 WT3 H ATOM 36529 OH2 TIP3 487 82.432 85.966 -9.740 1.00 0.00 WT3 O ATOM 36530 H1 TIP3 487 82.584 85.810 -8.808 1.00 0.00 WT3 H ATOM 36531 H2 TIP3 487 83.078 86.630 -9.981 1.00 0.00 WT3 H ATOM 36532 OH2 TIP3 488 44.086 44.145 12.392 1.00 0.00 WT3 O ATOM 36533 H1 TIP3 488 43.607 44.125 13.221 1.00 0.00 WT3 H ATOM 36534 H2 TIP3 488 44.957 44.467 12.627 1.00 0.00 WT3 H ATOM 36535 OH2 TIP3 489 28.027 25.163 56.248 1.00 0.00 WT3 O ATOM 36536 H1 TIP3 489 28.716 25.046 55.594 1.00 0.00 WT3 H ATOM 36537 H2 TIP3 489 27.868 24.283 56.589 1.00 0.00 WT3 H ATOM 36538 OH2 TIP3 490 73.154 74.158 56.914 1.00 0.00 WT3 O ATOM 36539 H1 TIP3 490 73.385 73.804 56.055 1.00 0.00 WT3 H ATOM 36540 H2 TIP3 490 73.268 73.422 57.515 1.00 0.00 WT3 H ATOM 36541 OH2 TIP3 491 60.809 62.763 49.093 1.00 0.00 WT3 O ATOM 36542 H1 TIP3 491 61.081 62.524 48.206 1.00 0.00 WT3 H ATOM 36543 H2 TIP3 491 60.558 61.933 49.498 1.00 0.00 WT3 H ATOM 36544 OH2 TIP3 492 67.241 5.357 53.162 1.00 0.00 WT3 O ATOM 36545 H1 TIP3 492 67.634 6.042 52.621 1.00 0.00 WT3 H ATOM 36546 H2 TIP3 492 67.146 5.759 54.026 1.00 0.00 WT3 H ATOM 36547 OH2 TIP3 493 63.384 36.999 28.523 1.00 0.00 WT3 O ATOM 36548 H1 TIP3 493 63.713 37.264 29.382 1.00 0.00 WT3 H ATOM 36549 H2 TIP3 493 63.910 37.499 27.899 1.00 0.00 WT3 H ATOM 36550 OH2 TIP3 494 77.218 91.700 -14.427 1.00 0.00 WT3 O ATOM 36551 H1 TIP3 494 77.289 91.788 -13.476 1.00 0.00 WT3 H ATOM 36552 H2 TIP3 494 77.455 92.563 -14.766 1.00 0.00 WT3 H ATOM 36553 OH2 TIP3 495 47.409 20.876 2.370 1.00 0.00 WT3 O ATOM 36554 H1 TIP3 495 46.623 21.400 2.214 1.00 0.00 WT3 H ATOM 36555 H2 TIP3 495 47.751 21.201 3.203 1.00 0.00 WT3 H ATOM 36556 OH2 TIP3 497 88.105 81.046 61.648 1.00 0.00 WT3 O ATOM 36557 H1 TIP3 497 87.240 81.227 62.016 1.00 0.00 WT3 H ATOM 36558 H2 TIP3 497 88.620 80.731 62.391 1.00 0.00 WT3 H ATOM 36559 OH2 TIP3 498 55.626 32.719 -9.267 1.00 0.00 WT3 O ATOM 36560 H1 TIP3 498 55.643 32.533 -10.206 1.00 0.00 WT3 H ATOM 36561 H2 TIP3 498 55.514 33.668 -9.213 1.00 0.00 WT3 H ATOM 36562 OH2 TIP3 499 74.345 41.177 42.609 1.00 0.00 WT3 O ATOM 36563 H1 TIP3 499 73.602 40.821 42.122 1.00 0.00 WT3 H ATOM 36564 H2 TIP3 499 74.399 42.091 42.332 1.00 0.00 WT3 H ATOM 36565 OH2 TIP3 500 67.057 40.472 41.184 1.00 0.00 WT3 O ATOM 36566 H1 TIP3 500 66.347 40.254 41.788 1.00 0.00 WT3 H ATOM 36567 H2 TIP3 500 67.278 41.380 41.391 1.00 0.00 WT3 H ATOM 36568 OH2 TIP3 501 32.787 47.277 22.922 1.00 0.00 WT3 O ATOM 36569 H1 TIP3 501 32.511 48.170 22.713 1.00 0.00 WT3 H ATOM 36570 H2 TIP3 501 33.426 47.059 22.243 1.00 0.00 WT3 H ATOM 36571 OH2 TIP3 502 83.724 66.208 50.699 1.00 0.00 WT3 O ATOM 36572 H1 TIP3 502 83.105 66.926 50.566 1.00 0.00 WT3 H ATOM 36573 H2 TIP3 502 83.185 65.480 51.006 1.00 0.00 WT3 H ATOM 36574 OH2 TIP3 503 65.256 46.910 63.159 1.00 0.00 WT3 O ATOM 36575 H1 TIP3 503 65.168 47.720 62.656 1.00 0.00 WT3 H ATOM 36576 H2 TIP3 503 64.993 47.150 64.047 1.00 0.00 WT3 H ATOM 36577 OH2 TIP3 504 50.200 77.530 32.659 1.00 0.00 WT3 O ATOM 36578 H1 TIP3 504 50.097 77.148 31.788 1.00 0.00 WT3 H ATOM 36579 H2 TIP3 504 49.574 77.055 33.206 1.00 0.00 WT3 H ATOM 36580 OH2 TIP3 505 28.581 68.767 51.358 1.00 0.00 WT3 O ATOM 36581 H1 TIP3 505 28.543 69.566 51.884 1.00 0.00 WT3 H ATOM 36582 H2 TIP3 505 28.175 69.008 50.526 1.00 0.00 WT3 H ATOM 36583 OH2 TIP3 506 27.840 96.080 31.368 1.00 0.00 WT3 O ATOM 36584 H1 TIP3 506 28.217 96.267 32.228 1.00 0.00 WT3 H ATOM 36585 H2 TIP3 506 28.464 95.483 30.956 1.00 0.00 WT3 H ATOM 36586 OH2 TIP3 507 47.876 91.205 0.443 1.00 0.00 WT3 O ATOM 36587 H1 TIP3 507 48.539 91.852 0.685 1.00 0.00 WT3 H ATOM 36588 H2 TIP3 507 47.077 91.508 0.874 1.00 0.00 WT3 H ATOM 36589 OH2 TIP3 508 47.731 24.747 58.508 1.00 0.00 WT3 O ATOM 36590 H1 TIP3 508 48.407 25.419 58.420 1.00 0.00 WT3 H ATOM 36591 H2 TIP3 508 47.356 24.667 57.631 1.00 0.00 WT3 H ATOM 36592 OH2 TIP3 509 70.778 72.850 24.940 1.00 0.00 WT3 O ATOM 36593 H1 TIP3 509 70.140 73.435 24.532 1.00 0.00 WT3 H ATOM 36594 H2 TIP3 509 70.519 72.817 25.861 1.00 0.00 WT3 H ATOM 36595 OH2 TIP3 510 37.996 40.317 -16.389 1.00 0.00 WT3 O ATOM 36596 H1 TIP3 510 38.549 39.855 -15.758 1.00 0.00 WT3 H ATOM 36597 H2 TIP3 510 37.766 41.136 -15.951 1.00 0.00 WT3 H ATOM 36598 OH2 TIP3 511 90.385 47.842 56.397 1.00 0.00 WT3 O ATOM 36599 H1 TIP3 511 89.553 48.214 56.690 1.00 0.00 WT3 H ATOM 36600 H2 TIP3 511 90.524 47.086 56.968 1.00 0.00 WT3 H ATOM 36601 OH2 TIP3 512 89.516 2.091 -13.425 1.00 0.00 WT3 O ATOM 36602 H1 TIP3 512 88.932 1.497 -12.954 1.00 0.00 WT3 H ATOM 36603 H2 TIP3 512 89.245 2.965 -13.145 1.00 0.00 WT3 H ATOM 36604 OH2 TIP3 513 75.372 94.541 -8.815 1.00 0.00 WT3 O ATOM 36605 H1 TIP3 513 75.775 93.734 -9.135 1.00 0.00 WT3 H ATOM 36606 H2 TIP3 513 76.082 95.004 -8.371 1.00 0.00 WT3 H ATOM 36607 OH2 TIP3 514 79.125 78.104 32.963 1.00 0.00 WT3 O ATOM 36608 H1 TIP3 514 78.938 78.685 33.700 1.00 0.00 WT3 H ATOM 36609 H2 TIP3 514 79.450 78.685 32.276 1.00 0.00 WT3 H ATOM 36610 OH2 TIP3 515 75.246 48.420 39.817 1.00 0.00 WT3 O ATOM 36611 H1 TIP3 515 75.252 49.363 39.982 1.00 0.00 WT3 H ATOM 36612 H2 TIP3 515 74.513 48.286 39.217 1.00 0.00 WT3 H ATOM 36613 OH2 TIP3 516 24.303 96.032 35.923 1.00 0.00 WT3 O ATOM 36614 H1 TIP3 516 23.735 95.278 35.765 1.00 0.00 WT3 H ATOM 36615 H2 TIP3 516 23.823 96.566 36.556 1.00 0.00 WT3 H ATOM 36616 OH2 TIP3 517 67.779 75.191 64.247 1.00 0.00 WT3 O ATOM 36617 H1 TIP3 517 67.267 74.384 64.306 1.00 0.00 WT3 H ATOM 36618 H2 TIP3 517 67.186 75.874 64.560 1.00 0.00 WT3 H ATOM 36619 OH2 TIP3 518 77.203 85.458 9.943 1.00 0.00 WT3 O ATOM 36620 H1 TIP3 518 76.828 85.229 10.793 1.00 0.00 WT3 H ATOM 36621 H2 TIP3 518 78.084 85.083 9.960 1.00 0.00 WT3 H ATOM 36622 OH2 TIP3 519 30.894 56.126 -18.981 1.00 0.00 WT3 O ATOM 36623 H1 TIP3 519 29.945 56.166 -18.866 1.00 0.00 WT3 H ATOM 36624 H2 TIP3 519 31.242 56.723 -18.318 1.00 0.00 WT3 H ATOM 36625 OH2 TIP3 522 36.394 1.164 20.681 1.00 0.00 WT3 O ATOM 36626 H1 TIP3 522 35.696 0.600 20.349 1.00 0.00 WT3 H ATOM 36627 H2 TIP3 522 36.013 2.043 20.681 1.00 0.00 WT3 H ATOM 36628 OH2 TIP3 523 55.157 69.313 61.988 1.00 0.00 WT3 O ATOM 36629 H1 TIP3 523 55.020 68.438 62.350 1.00 0.00 WT3 H ATOM 36630 H2 TIP3 523 55.067 69.198 61.042 1.00 0.00 WT3 H ATOM 36631 OH2 TIP3 524 82.090 61.032 28.432 1.00 0.00 WT3 O ATOM 36632 H1 TIP3 524 81.497 60.363 28.090 1.00 0.00 WT3 H ATOM 36633 H2 TIP3 524 82.959 60.634 28.378 1.00 0.00 WT3 H ATOM 36634 OH2 TIP3 525 74.233 34.965 19.567 1.00 0.00 WT3 O ATOM 36635 H1 TIP3 525 73.723 35.665 19.159 1.00 0.00 WT3 H ATOM 36636 H2 TIP3 525 74.561 34.448 18.831 1.00 0.00 WT3 H ATOM 36637 OH2 TIP3 526 84.699 23.024 50.744 1.00 0.00 WT3 O ATOM 36638 H1 TIP3 526 84.705 22.140 50.375 1.00 0.00 WT3 H ATOM 36639 H2 TIP3 526 84.100 22.969 51.488 1.00 0.00 WT3 H ATOM 36640 OH2 TIP3 527 51.763 65.033 41.513 1.00 0.00 WT3 O ATOM 36641 H1 TIP3 527 52.336 64.278 41.378 1.00 0.00 WT3 H ATOM 36642 H2 TIP3 527 50.943 64.792 41.082 1.00 0.00 WT3 H ATOM 36643 OH2 TIP3 528 47.796 33.935 -15.757 1.00 0.00 WT3 O ATOM 36644 H1 TIP3 528 48.152 33.197 -16.252 1.00 0.00 WT3 H ATOM 36645 H2 TIP3 528 47.708 33.604 -14.863 1.00 0.00 WT3 H ATOM 36646 OH2 TIP3 529 21.512 93.097 54.119 1.00 0.00 WT3 O ATOM 36647 H1 TIP3 529 21.142 93.903 54.480 1.00 0.00 WT3 H ATOM 36648 H2 TIP3 529 20.909 92.850 53.418 1.00 0.00 WT3 H ATOM 36649 OH2 TIP3 530 33.036 36.643 21.599 1.00 0.00 WT3 O ATOM 36650 H1 TIP3 530 32.837 36.727 20.666 1.00 0.00 WT3 H ATOM 36651 H2 TIP3 530 33.977 36.471 21.629 1.00 0.00 WT3 H ATOM 36652 OH2 TIP3 532 50.594 3.916 22.594 1.00 0.00 WT3 O ATOM 36653 H1 TIP3 532 50.036 4.636 22.890 1.00 0.00 WT3 H ATOM 36654 H2 TIP3 532 50.728 4.084 21.661 1.00 0.00 WT3 H ATOM 36655 OH2 TIP3 533 77.209 52.925 -14.982 1.00 0.00 WT3 O ATOM 36656 H1 TIP3 533 76.410 52.435 -15.174 1.00 0.00 WT3 H ATOM 36657 H2 TIP3 533 77.010 53.401 -14.175 1.00 0.00 WT3 H ATOM 36658 OH2 TIP3 534 63.220 66.083 -16.170 1.00 0.00 WT3 O ATOM 36659 H1 TIP3 534 62.653 65.931 -15.413 1.00 0.00 WT3 H ATOM 36660 H2 TIP3 534 63.320 65.220 -16.571 1.00 0.00 WT3 H ATOM 36661 OH2 TIP3 535 21.261 61.262 9.907 1.00 0.00 WT3 O ATOM 36662 H1 TIP3 535 21.892 61.275 10.626 1.00 0.00 WT3 H ATOM 36663 H2 TIP3 535 20.673 60.536 10.116 1.00 0.00 WT3 H ATOM 36664 OH2 TIP3 536 50.823 1.579 18.804 1.00 0.00 WT3 O ATOM 36665 H1 TIP3 536 51.580 1.126 19.176 1.00 0.00 WT3 H ATOM 36666 H2 TIP3 536 51.010 1.631 17.867 1.00 0.00 WT3 H ATOM 36667 OH2 TIP3 538 39.717 33.695 62.083 1.00 0.00 WT3 O ATOM 36668 H1 TIP3 538 40.623 33.725 62.392 1.00 0.00 WT3 H ATOM 36669 H2 TIP3 538 39.201 33.525 62.871 1.00 0.00 WT3 H ATOM 36670 OH2 TIP3 539 26.320 71.529 28.518 1.00 0.00 WT3 O ATOM 36671 H1 TIP3 539 25.997 71.573 27.618 1.00 0.00 WT3 H ATOM 36672 H2 TIP3 539 27.248 71.754 28.452 1.00 0.00 WT3 H ATOM 36673 OH2 TIP3 540 61.217 70.372 38.494 1.00 0.00 WT3 O ATOM 36674 H1 TIP3 540 61.742 69.615 38.235 1.00 0.00 WT3 H ATOM 36675 H2 TIP3 540 60.340 70.181 38.161 1.00 0.00 WT3 H ATOM 36676 OH2 TIP3 541 24.070 69.013 3.572 1.00 0.00 WT3 O ATOM 36677 H1 TIP3 541 23.123 69.111 3.472 1.00 0.00 WT3 H ATOM 36678 H2 TIP3 541 24.199 68.077 3.725 1.00 0.00 WT3 H ATOM 36679 OH2 TIP3 542 85.837 74.835 62.184 1.00 0.00 WT3 O ATOM 36680 H1 TIP3 542 86.558 74.300 61.850 1.00 0.00 WT3 H ATOM 36681 H2 TIP3 542 85.047 74.364 61.918 1.00 0.00 WT3 H ATOM 36682 OH2 TIP3 543 66.257 19.265 -15.899 1.00 0.00 WT3 O ATOM 36683 H1 TIP3 543 66.732 20.042 -15.603 1.00 0.00 WT3 H ATOM 36684 H2 TIP3 543 66.736 18.972 -16.674 1.00 0.00 WT3 H ATOM 36685 OH2 TIP3 544 49.217 40.809 50.494 1.00 0.00 WT3 O ATOM 36686 H1 TIP3 544 49.393 40.151 49.821 1.00 0.00 WT3 H ATOM 36687 H2 TIP3 544 49.764 40.546 51.235 1.00 0.00 WT3 H ATOM 36688 OH2 TIP3 546 35.703 0.892 -14.381 1.00 0.00 WT3 O ATOM 36689 H1 TIP3 546 34.949 1.481 -14.377 1.00 0.00 WT3 H ATOM 36690 H2 TIP3 546 36.327 1.297 -13.779 1.00 0.00 WT3 H ATOM 36691 OH2 TIP3 547 68.111 24.407 49.799 1.00 0.00 WT3 O ATOM 36692 H1 TIP3 547 68.835 24.352 50.423 1.00 0.00 WT3 H ATOM 36693 H2 TIP3 547 68.084 25.330 49.545 1.00 0.00 WT3 H ATOM 36694 OH2 TIP3 549 55.222 43.980 60.446 1.00 0.00 WT3 O ATOM 36695 H1 TIP3 549 55.639 44.764 60.804 1.00 0.00 WT3 H ATOM 36696 H2 TIP3 549 54.285 44.133 60.561 1.00 0.00 WT3 H ATOM 36697 OH2 TIP3 550 51.370 66.180 14.692 1.00 0.00 WT3 O ATOM 36698 H1 TIP3 550 50.768 65.521 15.038 1.00 0.00 WT3 H ATOM 36699 H2 TIP3 550 52.238 65.791 14.797 1.00 0.00 WT3 H ATOM 36700 OH2 TIP3 551 47.343 54.685 42.830 1.00 0.00 WT3 O ATOM 36701 H1 TIP3 551 48.210 55.077 42.936 1.00 0.00 WT3 H ATOM 36702 H2 TIP3 551 46.733 55.385 43.061 1.00 0.00 WT3 H ATOM 36703 OH2 TIP3 552 47.324 71.310 -15.336 1.00 0.00 WT3 O ATOM 36704 H1 TIP3 552 47.572 70.744 -14.605 1.00 0.00 WT3 H ATOM 36705 H2 TIP3 552 46.540 71.766 -15.031 1.00 0.00 WT3 H ATOM 36706 OH2 TIP3 553 83.426 11.573 -12.888 1.00 0.00 WT3 O ATOM 36707 H1 TIP3 553 84.135 12.137 -13.197 1.00 0.00 WT3 H ATOM 36708 H2 TIP3 553 82.749 11.650 -13.560 1.00 0.00 WT3 H ATOM 36709 OH2 TIP3 554 61.263 70.219 -4.775 1.00 0.00 WT3 O ATOM 36710 H1 TIP3 554 60.696 69.458 -4.896 1.00 0.00 WT3 H ATOM 36711 H2 TIP3 554 61.747 70.032 -3.971 1.00 0.00 WT3 H ATOM 36712 OH2 TIP3 555 34.913 46.467 25.989 1.00 0.00 WT3 O ATOM 36713 H1 TIP3 555 34.912 46.015 26.832 1.00 0.00 WT3 H ATOM 36714 H2 TIP3 555 35.132 47.374 26.203 1.00 0.00 WT3 H ATOM 36715 OH2 TIP3 556 22.832 95.521 24.029 1.00 0.00 WT3 O ATOM 36716 H1 TIP3 556 23.683 95.960 24.029 1.00 0.00 WT3 H ATOM 36717 H2 TIP3 556 22.274 96.081 23.489 1.00 0.00 WT3 H ATOM 36718 OH2 TIP3 558 80.908 49.017 32.971 1.00 0.00 WT3 O ATOM 36719 H1 TIP3 558 81.787 48.765 32.690 1.00 0.00 WT3 H ATOM 36720 H2 TIP3 558 80.938 48.970 33.927 1.00 0.00 WT3 H ATOM 36721 OH2 TIP3 559 85.743 51.328 0.202 1.00 0.00 WT3 O ATOM 36722 H1 TIP3 559 84.817 51.356 0.442 1.00 0.00 WT3 H ATOM 36723 H2 TIP3 559 86.160 51.966 0.782 1.00 0.00 WT3 H ATOM 36724 OH2 TIP3 560 33.334 86.024 43.865 1.00 0.00 WT3 O ATOM 36725 H1 TIP3 560 33.285 85.207 44.361 1.00 0.00 WT3 H ATOM 36726 H2 TIP3 560 34.272 86.186 43.762 1.00 0.00 WT3 H ATOM 36727 OH2 TIP3 561 45.920 77.446 13.855 1.00 0.00 WT3 O ATOM 36728 H1 TIP3 561 45.751 77.052 13.000 1.00 0.00 WT3 H ATOM 36729 H2 TIP3 561 46.067 76.701 14.438 1.00 0.00 WT3 H ATOM 36730 OH2 TIP3 562 23.427 27.921 -8.562 1.00 0.00 WT3 O ATOM 36731 H1 TIP3 562 22.992 27.465 -9.282 1.00 0.00 WT3 H ATOM 36732 H2 TIP3 562 22.814 28.611 -8.308 1.00 0.00 WT3 H ATOM 36733 OH2 TIP3 563 47.284 86.005 -0.018 1.00 0.00 WT3 O ATOM 36734 H1 TIP3 563 47.665 85.386 -0.641 1.00 0.00 WT3 H ATOM 36735 H2 TIP3 563 48.009 86.585 0.216 1.00 0.00 WT3 H ATOM 36736 OH2 TIP3 564 51.768 88.058 13.962 1.00 0.00 WT3 O ATOM 36737 H1 TIP3 564 51.966 88.781 14.558 1.00 0.00 WT3 H ATOM 36738 H2 TIP3 564 51.853 87.272 14.502 1.00 0.00 WT3 H ATOM 36739 OH2 TIP3 565 89.692 3.745 -2.773 1.00 0.00 WT3 O ATOM 36740 H1 TIP3 565 90.176 4.311 -3.375 1.00 0.00 WT3 H ATOM 36741 H2 TIP3 565 90.146 3.841 -1.936 1.00 0.00 WT3 H ATOM 36742 OH2 TIP3 568 71.552 53.522 25.699 1.00 0.00 WT3 O ATOM 36743 H1 TIP3 568 71.116 53.722 24.871 1.00 0.00 WT3 H ATOM 36744 H2 TIP3 568 71.305 52.617 25.888 1.00 0.00 WT3 H ATOM 36745 OH2 TIP3 569 76.436 32.086 31.398 1.00 0.00 WT3 O ATOM 36746 H1 TIP3 569 77.121 31.829 30.781 1.00 0.00 WT3 H ATOM 36747 H2 TIP3 569 76.880 32.133 32.245 1.00 0.00 WT3 H ATOM 36748 OH2 TIP3 571 42.036 3.449 -9.739 1.00 0.00 WT3 O ATOM 36749 H1 TIP3 571 41.553 3.274 -10.547 1.00 0.00 WT3 H ATOM 36750 H2 TIP3 571 41.648 4.254 -9.397 1.00 0.00 WT3 H ATOM 36751 OH2 TIP3 572 37.495 93.611 42.418 1.00 0.00 WT3 O ATOM 36752 H1 TIP3 572 38.126 93.767 41.716 1.00 0.00 WT3 H ATOM 36753 H2 TIP3 572 37.679 92.719 42.712 1.00 0.00 WT3 H ATOM 36754 OH2 TIP3 573 53.556 88.713 29.596 1.00 0.00 WT3 O ATOM 36755 H1 TIP3 573 52.775 88.981 30.080 1.00 0.00 WT3 H ATOM 36756 H2 TIP3 573 53.846 89.507 29.148 1.00 0.00 WT3 H ATOM 36757 OH2 TIP3 574 53.016 16.646 28.837 1.00 0.00 WT3 O ATOM 36758 H1 TIP3 574 52.062 16.569 28.815 1.00 0.00 WT3 H ATOM 36759 H2 TIP3 574 53.219 17.294 28.162 1.00 0.00 WT3 H ATOM 36760 OH2 TIP3 575 88.089 67.691 18.095 1.00 0.00 WT3 O ATOM 36761 H1 TIP3 575 88.839 67.751 18.687 1.00 0.00 WT3 H ATOM 36762 H2 TIP3 575 88.124 66.798 17.753 1.00 0.00 WT3 H ATOM 36763 OH2 TIP3 576 51.502 94.017 17.907 1.00 0.00 WT3 O ATOM 36764 H1 TIP3 576 51.765 94.843 18.313 1.00 0.00 WT3 H ATOM 36765 H2 TIP3 576 50.650 93.819 18.295 1.00 0.00 WT3 H ATOM 36766 OH2 TIP3 577 58.185 38.048 59.520 1.00 0.00 WT3 O ATOM 36767 H1 TIP3 577 57.779 38.807 59.939 1.00 0.00 WT3 H ATOM 36768 H2 TIP3 577 59.125 38.185 59.634 1.00 0.00 WT3 H ATOM 36769 OH2 TIP3 578 24.882 69.728 53.704 1.00 0.00 WT3 O ATOM 36770 H1 TIP3 578 24.837 69.860 52.757 1.00 0.00 WT3 H ATOM 36771 H2 TIP3 578 25.140 70.582 54.053 1.00 0.00 WT3 H ATOM 36772 OH2 TIP3 579 39.777 70.907 -6.319 1.00 0.00 WT3 O ATOM 36773 H1 TIP3 579 39.178 70.371 -6.838 1.00 0.00 WT3 H ATOM 36774 H2 TIP3 579 39.238 71.248 -5.606 1.00 0.00 WT3 H ATOM 36775 OH2 TIP3 580 58.271 5.331 3.886 1.00 0.00 WT3 O ATOM 36776 H1 TIP3 580 58.396 6.243 4.148 1.00 0.00 WT3 H ATOM 36777 H2 TIP3 580 58.741 5.254 3.056 1.00 0.00 WT3 H ATOM 36778 OH2 TIP3 581 47.343 27.665 64.575 1.00 0.00 WT3 O ATOM 36779 H1 TIP3 581 46.672 27.704 65.257 1.00 0.00 WT3 H ATOM 36780 H2 TIP3 581 47.708 28.549 64.547 1.00 0.00 WT3 H ATOM 36781 OH2 TIP3 582 68.889 10.962 54.501 1.00 0.00 WT3 O ATOM 36782 H1 TIP3 582 68.991 10.480 55.322 1.00 0.00 WT3 H ATOM 36783 H2 TIP3 582 68.285 11.673 54.713 1.00 0.00 WT3 H ATOM 36784 OH2 TIP3 583 87.877 2.926 -5.116 1.00 0.00 WT3 O ATOM 36785 H1 TIP3 583 88.002 2.179 -5.702 1.00 0.00 WT3 H ATOM 36786 H2 TIP3 583 87.086 3.356 -5.441 1.00 0.00 WT3 H ATOM 36787 OH2 TIP3 584 43.127 90.699 66.859 1.00 0.00 WT3 O ATOM 36788 H1 TIP3 584 42.791 91.431 67.376 1.00 0.00 WT3 H ATOM 36789 H2 TIP3 584 43.853 91.072 66.359 1.00 0.00 WT3 H ATOM 36790 OH2 TIP3 585 34.678 76.923 24.713 1.00 0.00 WT3 O ATOM 36791 H1 TIP3 585 35.147 76.934 23.878 1.00 0.00 WT3 H ATOM 36792 H2 TIP3 585 35.368 76.903 25.376 1.00 0.00 WT3 H ATOM 36793 OH2 TIP3 586 45.443 51.509 -17.164 1.00 0.00 WT3 O ATOM 36794 H1 TIP3 586 45.151 52.281 -16.680 1.00 0.00 WT3 H ATOM 36795 H2 TIP3 586 46.388 51.475 -17.014 1.00 0.00 WT3 H ATOM 36796 OH2 TIP3 587 42.562 70.970 16.691 1.00 0.00 WT3 O ATOM 36797 H1 TIP3 587 43.387 70.523 16.882 1.00 0.00 WT3 H ATOM 36798 H2 TIP3 587 42.075 70.353 16.146 1.00 0.00 WT3 H ATOM 36799 OH2 TIP3 590 31.134 71.358 49.656 1.00 0.00 WT3 O ATOM 36800 H1 TIP3 590 30.885 70.779 48.936 1.00 0.00 WT3 H ATOM 36801 H2 TIP3 590 31.301 70.767 50.391 1.00 0.00 WT3 H ATOM 36802 OH2 TIP3 591 36.854 19.501 -9.929 1.00 0.00 WT3 O ATOM 36803 H1 TIP3 591 36.011 19.078 -10.092 1.00 0.00 WT3 H ATOM 36804 H2 TIP3 591 36.648 20.434 -9.878 1.00 0.00 WT3 H ATOM 36805 OH2 TIP3 592 58.019 50.773 58.530 1.00 0.00 WT3 O ATOM 36806 H1 TIP3 592 58.204 50.057 57.923 1.00 0.00 WT3 H ATOM 36807 H2 TIP3 592 57.170 50.550 58.912 1.00 0.00 WT3 H ATOM 36808 OH2 TIP3 593 24.009 44.174 52.932 1.00 0.00 WT3 O ATOM 36809 H1 TIP3 593 24.600 44.902 53.123 1.00 0.00 WT3 H ATOM 36810 H2 TIP3 593 23.912 44.186 51.980 1.00 0.00 WT3 H ATOM 36811 OH2 TIP3 594 83.994 48.776 28.454 1.00 0.00 WT3 O ATOM 36812 H1 TIP3 594 83.204 48.726 28.991 1.00 0.00 WT3 H ATOM 36813 H2 TIP3 594 83.685 49.081 27.601 1.00 0.00 WT3 H ATOM 36814 OH2 TIP3 595 46.585 86.262 52.750 1.00 0.00 WT3 O ATOM 36815 H1 TIP3 595 47.542 86.284 52.722 1.00 0.00 WT3 H ATOM 36816 H2 TIP3 595 46.367 85.331 52.788 1.00 0.00 WT3 H ATOM 36817 OH2 TIP3 597 43.342 77.470 26.236 1.00 0.00 WT3 O ATOM 36818 H1 TIP3 597 42.799 76.683 26.202 1.00 0.00 WT3 H ATOM 36819 H2 TIP3 597 44.226 77.161 26.036 1.00 0.00 WT3 H ATOM 36820 OH2 TIP3 598 39.731 8.949 21.927 1.00 0.00 WT3 O ATOM 36821 H1 TIP3 598 39.606 9.538 21.183 1.00 0.00 WT3 H ATOM 36822 H2 TIP3 598 40.006 9.522 22.643 1.00 0.00 WT3 H ATOM 36823 OH2 TIP3 599 40.262 74.025 15.164 1.00 0.00 WT3 O ATOM 36824 H1 TIP3 599 40.321 74.980 15.151 1.00 0.00 WT3 H ATOM 36825 H2 TIP3 599 40.344 73.791 16.089 1.00 0.00 WT3 H ATOM 36826 OH2 TIP3 601 24.442 1.341 59.604 1.00 0.00 WT3 O ATOM 36827 H1 TIP3 601 25.055 1.578 58.909 1.00 0.00 WT3 H ATOM 36828 H2 TIP3 601 24.369 2.131 60.140 1.00 0.00 WT3 H ATOM 36829 OH2 TIP3 602 47.228 1.706 -5.648 1.00 0.00 WT3 O ATOM 36830 H1 TIP3 602 46.595 1.258 -5.086 1.00 0.00 WT3 H ATOM 36831 H2 TIP3 602 48.081 1.468 -5.284 1.00 0.00 WT3 H ATOM 36832 OH2 TIP3 603 36.960 17.098 58.292 1.00 0.00 WT3 O ATOM 36833 H1 TIP3 603 36.809 17.819 58.902 1.00 0.00 WT3 H ATOM 36834 H2 TIP3 603 37.260 17.522 57.488 1.00 0.00 WT3 H ATOM 36835 OH2 TIP3 604 82.023 19.366 59.218 1.00 0.00 WT3 O ATOM 36836 H1 TIP3 604 82.879 19.769 59.368 1.00 0.00 WT3 H ATOM 36837 H2 TIP3 604 81.741 19.712 58.371 1.00 0.00 WT3 H ATOM 36838 OH2 TIP3 605 85.720 46.523 54.992 1.00 0.00 WT3 O ATOM 36839 H1 TIP3 605 85.084 45.855 55.247 1.00 0.00 WT3 H ATOM 36840 H2 TIP3 605 86.019 46.252 54.124 1.00 0.00 WT3 H ATOM 36841 OH2 TIP3 606 23.077 55.672 54.607 1.00 0.00 WT3 O ATOM 36842 H1 TIP3 606 22.267 55.267 54.918 1.00 0.00 WT3 H ATOM 36843 H2 TIP3 606 22.811 56.182 53.842 1.00 0.00 WT3 H ATOM 36844 OH2 TIP3 607 77.940 65.039 42.997 1.00 0.00 WT3 O ATOM 36845 H1 TIP3 607 77.951 64.204 42.529 1.00 0.00 WT3 H ATOM 36846 H2 TIP3 607 77.295 65.568 42.527 1.00 0.00 WT3 H ATOM 36847 OH2 TIP3 609 22.616 74.784 54.880 1.00 0.00 WT3 O ATOM 36848 H1 TIP3 609 23.342 74.918 55.490 1.00 0.00 WT3 H ATOM 36849 H2 TIP3 609 21.965 74.297 55.384 1.00 0.00 WT3 H ATOM 36850 OH2 TIP3 612 78.854 10.517 56.102 1.00 0.00 WT3 O ATOM 36851 H1 TIP3 612 79.282 9.665 56.019 1.00 0.00 WT3 H ATOM 36852 H2 TIP3 612 78.389 10.633 55.273 1.00 0.00 WT3 H ATOM 36853 OH2 TIP3 613 21.593 3.565 66.461 1.00 0.00 WT3 O ATOM 36854 H1 TIP3 613 20.642 3.604 66.559 1.00 0.00 WT3 H ATOM 36855 H2 TIP3 613 21.771 2.659 66.208 1.00 0.00 WT3 H ATOM 36856 OH2 TIP3 615 48.730 69.529 54.710 1.00 0.00 WT3 O ATOM 36857 H1 TIP3 615 48.507 68.707 55.148 1.00 0.00 WT3 H ATOM 36858 H2 TIP3 615 47.886 69.897 54.448 1.00 0.00 WT3 H ATOM 36859 OH2 TIP3 617 35.990 4.596 65.280 1.00 0.00 WT3 O ATOM 36860 H1 TIP3 617 35.275 4.514 64.649 1.00 0.00 WT3 H ATOM 36861 H2 TIP3 617 36.554 3.843 65.104 1.00 0.00 WT3 H ATOM 36862 OH2 TIP3 618 48.848 15.855 25.308 1.00 0.00 WT3 O ATOM 36863 H1 TIP3 618 48.051 16.274 25.633 1.00 0.00 WT3 H ATOM 36864 H2 TIP3 618 49.513 16.543 25.344 1.00 0.00 WT3 H ATOM 36865 OH2 TIP3 620 65.424 51.098 13.512 1.00 0.00 WT3 O ATOM 36866 H1 TIP3 620 64.634 50.589 13.694 1.00 0.00 WT3 H ATOM 36867 H2 TIP3 620 65.240 51.964 13.875 1.00 0.00 WT3 H ATOM 36868 OH2 TIP3 621 71.651 46.683 61.051 1.00 0.00 WT3 O ATOM 36869 H1 TIP3 621 72.433 46.877 60.534 1.00 0.00 WT3 H ATOM 36870 H2 TIP3 621 71.587 47.408 61.672 1.00 0.00 WT3 H ATOM 36871 OH2 TIP3 623 22.745 16.302 39.370 1.00 0.00 WT3 O ATOM 36872 H1 TIP3 623 22.896 15.520 39.901 1.00 0.00 WT3 H ATOM 36873 H2 TIP3 623 23.269 16.161 38.582 1.00 0.00 WT3 H ATOM 36874 OH2 TIP3 624 77.302 77.851 62.272 1.00 0.00 WT3 O ATOM 36875 H1 TIP3 624 77.509 78.627 61.751 1.00 0.00 WT3 H ATOM 36876 H2 TIP3 624 77.278 77.136 61.637 1.00 0.00 WT3 H ATOM 36877 OH2 TIP3 625 81.279 79.965 52.264 1.00 0.00 WT3 O ATOM 36878 H1 TIP3 625 80.832 80.674 52.726 1.00 0.00 WT3 H ATOM 36879 H2 TIP3 625 81.930 80.407 51.719 1.00 0.00 WT3 H ATOM 36880 OH2 TIP3 626 78.126 54.625 16.289 1.00 0.00 WT3 O ATOM 36881 H1 TIP3 626 77.715 53.769 16.413 1.00 0.00 WT3 H ATOM 36882 H2 TIP3 626 77.870 55.128 17.062 1.00 0.00 WT3 H ATOM 36883 OH2 TIP3 627 30.847 86.944 21.704 1.00 0.00 WT3 O ATOM 36884 H1 TIP3 627 31.052 86.189 21.153 1.00 0.00 WT3 H ATOM 36885 H2 TIP3 627 31.687 87.385 21.830 1.00 0.00 WT3 H ATOM 36886 OH2 TIP3 628 63.906 89.203 23.498 1.00 0.00 WT3 O ATOM 36887 H1 TIP3 628 64.676 89.553 23.947 1.00 0.00 WT3 H ATOM 36888 H2 TIP3 628 63.306 88.962 24.204 1.00 0.00 WT3 H ATOM 36889 OH2 TIP3 630 49.029 90.132 66.419 1.00 0.00 WT3 O ATOM 36890 H1 TIP3 630 49.914 90.026 66.069 1.00 0.00 WT3 H ATOM 36891 H2 TIP3 630 49.157 90.257 67.359 1.00 0.00 WT3 H ATOM 36892 OH2 TIP3 632 64.435 80.799 -15.411 1.00 0.00 WT3 O ATOM 36893 H1 TIP3 632 64.871 79.969 -15.220 1.00 0.00 WT3 H ATOM 36894 H2 TIP3 632 63.635 80.776 -14.886 1.00 0.00 WT3 H ATOM 36895 OH2 TIP3 634 33.903 53.922 12.196 1.00 0.00 WT3 O ATOM 36896 H1 TIP3 634 33.958 53.753 11.255 1.00 0.00 WT3 H ATOM 36897 H2 TIP3 634 34.668 54.464 12.387 1.00 0.00 WT3 H ATOM 36898 OH2 TIP3 635 30.877 51.272 4.917 1.00 0.00 WT3 O ATOM 36899 H1 TIP3 635 30.005 50.881 4.858 1.00 0.00 WT3 H ATOM 36900 H2 TIP3 635 30.898 51.683 5.781 1.00 0.00 WT3 H ATOM 36901 OH2 TIP3 638 58.979 15.320 18.329 1.00 0.00 WT3 O ATOM 36902 H1 TIP3 638 58.755 16.244 18.218 1.00 0.00 WT3 H ATOM 36903 H2 TIP3 638 59.919 15.278 18.156 1.00 0.00 WT3 H ATOM 36904 OH2 TIP3 639 87.415 34.438 -3.613 1.00 0.00 WT3 O ATOM 36905 H1 TIP3 639 87.364 35.344 -3.309 1.00 0.00 WT3 H ATOM 36906 H2 TIP3 639 88.235 34.396 -4.105 1.00 0.00 WT3 H ATOM 36907 OH2 TIP3 640 84.473 19.164 -18.384 1.00 0.00 WT3 O ATOM 36908 H1 TIP3 640 83.988 18.705 -19.069 1.00 0.00 WT3 H ATOM 36909 H2 TIP3 640 85.299 18.685 -18.313 1.00 0.00 WT3 H ATOM 36910 OH2 TIP3 643 24.607 57.068 23.636 1.00 0.00 WT3 O ATOM 36911 H1 TIP3 643 25.014 57.934 23.586 1.00 0.00 WT3 H ATOM 36912 H2 TIP3 643 24.614 56.748 22.734 1.00 0.00 WT3 H ATOM 36913 OH2 TIP3 644 31.385 73.067 5.676 1.00 0.00 WT3 O ATOM 36914 H1 TIP3 644 30.911 73.898 5.633 1.00 0.00 WT3 H ATOM 36915 H2 TIP3 644 31.595 72.959 6.603 1.00 0.00 WT3 H ATOM 36916 OH2 TIP3 647 72.849 57.876 32.865 1.00 0.00 WT3 O ATOM 36917 H1 TIP3 647 72.112 57.825 33.474 1.00 0.00 WT3 H ATOM 36918 H2 TIP3 647 72.979 56.975 32.570 1.00 0.00 WT3 H ATOM 36919 OH2 TIP3 648 77.432 94.667 15.626 1.00 0.00 WT3 O ATOM 36920 H1 TIP3 648 78.081 94.682 14.922 1.00 0.00 WT3 H ATOM 36921 H2 TIP3 648 77.636 93.876 16.124 1.00 0.00 WT3 H ATOM 36922 OH2 TIP3 649 36.990 91.346 2.333 1.00 0.00 WT3 O ATOM 36923 H1 TIP3 649 36.626 92.194 2.077 1.00 0.00 WT3 H ATOM 36924 H2 TIP3 649 36.245 90.862 2.689 1.00 0.00 WT3 H ATOM 36925 OH2 TIP3 650 73.189 75.482 30.478 1.00 0.00 WT3 O ATOM 36926 H1 TIP3 650 74.104 75.481 30.759 1.00 0.00 WT3 H ATOM 36927 H2 TIP3 650 72.931 76.403 30.504 1.00 0.00 WT3 H ATOM 36928 OH2 TIP3 651 59.636 79.048 -16.671 1.00 0.00 WT3 O ATOM 36929 H1 TIP3 651 59.780 79.399 -17.550 1.00 0.00 WT3 H ATOM 36930 H2 TIP3 651 59.547 78.104 -16.802 1.00 0.00 WT3 H ATOM 36931 OH2 TIP3 655 52.848 53.667 53.055 1.00 0.00 WT3 O ATOM 36932 H1 TIP3 655 53.019 54.183 52.267 1.00 0.00 WT3 H ATOM 36933 H2 TIP3 655 51.997 53.261 52.897 1.00 0.00 WT3 H ATOM 36934 OH2 TIP3 656 38.486 19.105 -7.483 1.00 0.00 WT3 O ATOM 36935 H1 TIP3 656 37.969 19.244 -8.276 1.00 0.00 WT3 H ATOM 36936 H2 TIP3 656 39.276 18.658 -7.786 1.00 0.00 WT3 H ATOM 36937 OH2 TIP3 659 27.228 67.913 -7.532 1.00 0.00 WT3 O ATOM 36938 H1 TIP3 659 27.028 68.439 -6.758 1.00 0.00 WT3 H ATOM 36939 H2 TIP3 659 28.122 67.604 -7.387 1.00 0.00 WT3 H ATOM 36940 OH2 TIP3 660 22.217 71.922 6.731 1.00 0.00 WT3 O ATOM 36941 H1 TIP3 660 23.070 71.598 6.443 1.00 0.00 WT3 H ATOM 36942 H2 TIP3 660 21.813 72.273 5.938 1.00 0.00 WT3 H ATOM 36943 OH2 TIP3 662 56.530 14.632 -7.512 1.00 0.00 WT3 O ATOM 36944 H1 TIP3 662 55.881 13.965 -7.735 1.00 0.00 WT3 H ATOM 36945 H2 TIP3 662 56.956 14.298 -6.723 1.00 0.00 WT3 H ATOM 36946 OH2 TIP3 664 24.629 43.444 23.979 1.00 0.00 WT3 O ATOM 36947 H1 TIP3 664 24.791 43.327 23.043 1.00 0.00 WT3 H ATOM 36948 H2 TIP3 664 25.051 42.691 24.392 1.00 0.00 WT3 H ATOM 36949 OH2 TIP3 666 83.858 50.512 54.215 1.00 0.00 WT3 O ATOM 36950 H1 TIP3 666 83.022 50.979 54.234 1.00 0.00 WT3 H ATOM 36951 H2 TIP3 666 83.843 49.962 54.999 1.00 0.00 WT3 H ATOM 36952 OH2 TIP3 668 84.957 89.373 19.667 1.00 0.00 WT3 O ATOM 36953 H1 TIP3 668 84.887 88.445 19.443 1.00 0.00 WT3 H ATOM 36954 H2 TIP3 668 84.469 89.459 20.486 1.00 0.00 WT3 H ATOM 36955 OH2 TIP3 669 21.324 89.005 5.283 1.00 0.00 WT3 O ATOM 36956 H1 TIP3 669 21.303 89.288 6.197 1.00 0.00 WT3 H ATOM 36957 H2 TIP3 669 21.855 89.667 4.839 1.00 0.00 WT3 H ATOM 36958 OH2 TIP3 670 51.351 19.842 -6.408 1.00 0.00 WT3 O ATOM 36959 H1 TIP3 670 50.760 20.390 -5.892 1.00 0.00 WT3 H ATOM 36960 H2 TIP3 670 51.352 18.998 -5.957 1.00 0.00 WT3 H ATOM 36961 OH2 TIP3 679 23.932 13.174 -9.830 1.00 0.00 WT3 O ATOM 36962 H1 TIP3 679 23.866 14.015 -9.378 1.00 0.00 WT3 H ATOM 36963 H2 TIP3 679 24.802 12.846 -9.602 1.00 0.00 WT3 H ATOM 36964 OH2 TIP3 682 77.743 95.364 31.727 1.00 0.00 WT3 O ATOM 36965 H1 TIP3 682 76.787 95.363 31.673 1.00 0.00 WT3 H ATOM 36966 H2 TIP3 682 77.941 94.821 32.490 1.00 0.00 WT3 H ATOM 36967 OH2 TIP3 695 68.608 83.857 17.477 1.00 0.00 WT3 O ATOM 36968 H1 TIP3 695 69.293 83.336 17.895 1.00 0.00 WT3 H ATOM 36969 H2 TIP3 695 69.081 84.475 16.920 1.00 0.00 WT3 H ATOM 36970 OH2 TIP3 697 34.985 31.424 -6.107 1.00 0.00 WT3 O ATOM 36971 H1 TIP3 697 34.323 32.110 -6.194 1.00 0.00 WT3 H ATOM 36972 H2 TIP3 697 34.522 30.695 -5.693 1.00 0.00 WT3 H ATOM 36973 OH2 TIP3 711 43.911 79.113 52.908 1.00 0.00 WT3 O ATOM 36974 H1 TIP3 711 44.163 78.260 52.553 1.00 0.00 WT3 H ATOM 36975 H2 TIP3 711 44.267 79.118 53.797 1.00 0.00 WT3 H ATOM 36976 OH2 TIP3 713 34.004 60.965 33.456 1.00 0.00 WT3 O ATOM 36977 H1 TIP3 713 34.746 60.784 32.880 1.00 0.00 WT3 H ATOM 36978 H2 TIP3 713 33.308 61.256 32.866 1.00 0.00 WT3 H ATOM 36979 OH2 TIP3 758 55.206 20.802 -12.605 1.00 0.00 WT3 O ATOM 36980 H1 TIP3 758 54.656 20.966 -11.839 1.00 0.00 WT3 H ATOM 36981 H2 TIP3 758 56.077 21.098 -12.343 1.00 0.00 WT3 H ATOM 36982 OH2 TIP3 805 32.974 66.586 55.639 1.00 0.00 WT3 O ATOM 36983 H1 TIP3 805 32.269 66.104 55.207 1.00 0.00 WT3 H ATOM 36984 H2 TIP3 805 33.171 67.308 55.044 1.00 0.00 WT3 H ATOM 36985 OH2 TIP3 821 43.753 65.204 47.514 1.00 0.00 WT3 O ATOM 36986 H1 TIP3 821 43.249 65.937 47.867 1.00 0.00 WT3 H ATOM 36987 H2 TIP3 821 44.608 65.274 47.938 1.00 0.00 WT3 H ATOM 36988 OH2 TIP3 822 64.462 90.550 7.170 1.00 0.00 WT3 O ATOM 36989 H1 TIP3 822 64.161 89.686 6.890 1.00 0.00 WT3 H ATOM 36990 H2 TIP3 822 63.658 91.041 7.339 1.00 0.00 WT3 H ATOM 36991 OH2 TIP3 825 88.844 57.039 18.229 1.00 0.00 WT3 O ATOM 36992 H1 TIP3 825 88.989 56.184 17.823 1.00 0.00 WT3 H ATOM 36993 H2 TIP3 825 87.923 57.028 18.490 1.00 0.00 WT3 H ATOM 36994 OH2 TIP3 835 39.951 6.242 22.648 1.00 0.00 WT3 O ATOM 36995 H1 TIP3 835 39.871 7.183 22.491 1.00 0.00 WT3 H ATOM 36996 H2 TIP3 835 40.199 6.173 23.570 1.00 0.00 WT3 H ATOM 36997 OH2 TIP3 836 37.830 24.330 -9.768 1.00 0.00 WT3 O ATOM 36998 H1 TIP3 836 38.745 24.119 -9.957 1.00 0.00 WT3 H ATOM 36999 H2 TIP3 836 37.875 25.064 -9.156 1.00 0.00 WT3 H ATOM 37000 OH2 TIP3 848 79.433 25.919 28.731 1.00 0.00 WT3 O ATOM 37001 H1 TIP3 848 80.265 26.272 29.045 1.00 0.00 WT3 H ATOM 37002 H2 TIP3 848 79.241 25.192 29.324 1.00 0.00 WT3 H ATOM 37003 OH2 TIP3 849 27.733 82.984 12.024 1.00 0.00 WT3 O ATOM 37004 H1 TIP3 849 28.219 82.670 12.787 1.00 0.00 WT3 H ATOM 37005 H2 TIP3 849 26.904 82.507 12.055 1.00 0.00 WT3 H ATOM 37006 OH2 TIP3 852 68.640 11.426 59.670 1.00 0.00 WT3 O ATOM 37007 H1 TIP3 852 69.359 11.141 60.234 1.00 0.00 WT3 H ATOM 37008 H2 TIP3 852 67.854 11.068 60.084 1.00 0.00 WT3 H ATOM 37009 OH2 TIP3 854 24.309 71.470 1.994 1.00 0.00 WT3 O ATOM 37010 H1 TIP3 854 24.179 70.765 2.628 1.00 0.00 WT3 H ATOM 37011 H2 TIP3 854 24.056 72.265 2.465 1.00 0.00 WT3 H ATOM 37012 OH2 TIP3 855 38.229 90.147 40.763 1.00 0.00 WT3 O ATOM 37013 H1 TIP3 855 38.859 89.428 40.813 1.00 0.00 WT3 H ATOM 37014 H2 TIP3 855 38.251 90.546 41.632 1.00 0.00 WT3 H ATOM 37015 OH2 TIP3 858 85.861 42.817 3.513 1.00 0.00 WT3 O ATOM 37016 H1 TIP3 858 86.516 43.117 2.882 1.00 0.00 WT3 H ATOM 37017 H2 TIP3 858 85.042 42.795 3.018 1.00 0.00 WT3 H ATOM 37018 OH2 TIP3 860 25.464 88.942 52.699 1.00 0.00 WT3 O ATOM 37019 H1 TIP3 860 25.951 88.118 52.683 1.00 0.00 WT3 H ATOM 37020 H2 TIP3 860 25.667 89.357 51.861 1.00 0.00 WT3 H ATOM 37021 OH2 TIP3 866 70.937 10.993 -9.446 1.00 0.00 WT3 O ATOM 37022 H1 TIP3 866 71.004 11.801 -8.937 1.00 0.00 WT3 H ATOM 37023 H2 TIP3 866 70.847 11.288 -10.353 1.00 0.00 WT3 H ATOM 37024 OH2 TIP3 867 21.693 60.743 54.956 1.00 0.00 WT3 O ATOM 37025 H1 TIP3 867 20.859 61.170 54.760 1.00 0.00 WT3 H ATOM 37026 H2 TIP3 867 22.356 61.353 54.632 1.00 0.00 WT3 H ATOM 37027 OH2 TIP3 879 56.648 26.807 41.770 1.00 0.00 WT3 O ATOM 37028 H1 TIP3 879 56.814 27.370 41.014 1.00 0.00 WT3 H ATOM 37029 H2 TIP3 879 57.498 26.413 41.967 1.00 0.00 WT3 H ATOM 37030 OH2 TIP3 881 62.814 71.427 24.537 1.00 0.00 WT3 O ATOM 37031 H1 TIP3 881 62.204 70.691 24.586 1.00 0.00 WT3 H ATOM 37032 H2 TIP3 881 62.252 72.200 24.483 1.00 0.00 WT3 H ATOM 37033 OH2 TIP3 882 88.431 65.911 49.266 1.00 0.00 WT3 O ATOM 37034 H1 TIP3 882 87.723 66.065 49.891 1.00 0.00 WT3 H ATOM 37035 H2 TIP3 882 88.698 66.787 48.985 1.00 0.00 WT3 H ATOM 37036 OH2 TIP3 886 82.780 57.817 53.648 1.00 0.00 WT3 O ATOM 37037 H1 TIP3 886 82.793 56.941 54.034 1.00 0.00 WT3 H ATOM 37038 H2 TIP3 886 83.467 57.797 52.982 1.00 0.00 WT3 H ATOM 37039 OH2 TIP3 887 44.169 91.288 -2.058 1.00 0.00 WT3 O ATOM 37040 H1 TIP3 887 43.604 90.897 -1.392 1.00 0.00 WT3 H ATOM 37041 H2 TIP3 887 44.948 90.731 -2.070 1.00 0.00 WT3 H ATOM 37042 OH2 TIP3 889 47.743 37.067 11.066 1.00 0.00 WT3 O ATOM 37043 H1 TIP3 889 47.186 37.515 11.703 1.00 0.00 WT3 H ATOM 37044 H2 TIP3 889 48.059 36.291 11.529 1.00 0.00 WT3 H ATOM 37045 OH2 TIP3 890 58.802 66.413 30.585 1.00 0.00 WT3 O ATOM 37046 H1 TIP3 890 58.681 66.890 29.764 1.00 0.00 WT3 H ATOM 37047 H2 TIP3 890 57.962 65.980 30.737 1.00 0.00 WT3 H ATOM 37048 OH2 TIP3 891 34.806 86.719 23.117 1.00 0.00 WT3 O ATOM 37049 H1 TIP3 891 35.729 86.470 23.159 1.00 0.00 WT3 H ATOM 37050 H2 TIP3 891 34.344 86.008 23.561 1.00 0.00 WT3 H ATOM 37051 OH2 TIP3 894 86.236 80.285 51.296 1.00 0.00 WT3 O ATOM 37052 H1 TIP3 894 85.875 80.482 50.432 1.00 0.00 WT3 H ATOM 37053 H2 TIP3 894 87.179 80.419 51.199 1.00 0.00 WT3 H ATOM 37054 OH2 TIP3 895 83.869 39.236 24.266 1.00 0.00 WT3 O ATOM 37055 H1 TIP3 895 83.851 38.692 23.478 1.00 0.00 WT3 H ATOM 37056 H2 TIP3 895 83.601 40.104 23.964 1.00 0.00 WT3 H ATOM 37057 OH2 TIP3 896 36.908 82.799 32.353 1.00 0.00 WT3 O ATOM 37058 H1 TIP3 896 36.556 83.449 32.962 1.00 0.00 WT3 H ATOM 37059 H2 TIP3 896 36.433 81.994 32.560 1.00 0.00 WT3 H ATOM 37060 OH2 TIP3 897 39.555 37.014 44.670 1.00 0.00 WT3 O ATOM 37061 H1 TIP3 897 40.130 36.918 43.911 1.00 0.00 WT3 H ATOM 37062 H2 TIP3 897 39.077 37.827 44.508 1.00 0.00 WT3 H ATOM 37063 OH2 TIP3 899 48.795 83.591 54.464 1.00 0.00 WT3 O ATOM 37064 H1 TIP3 899 48.220 82.854 54.257 1.00 0.00 WT3 H ATOM 37065 H2 TIP3 899 48.820 83.614 55.421 1.00 0.00 WT3 H ATOM 37066 OH2 TIP3 903 37.555 69.715 -1.866 1.00 0.00 WT3 O ATOM 37067 H1 TIP3 903 37.252 70.311 -1.181 1.00 0.00 WT3 H ATOM 37068 H2 TIP3 903 37.493 68.845 -1.472 1.00 0.00 WT3 H ATOM 37069 OH2 TIP3 906 70.117 79.581 17.898 1.00 0.00 WT3 O ATOM 37070 H1 TIP3 906 70.653 79.399 18.670 1.00 0.00 WT3 H ATOM 37071 H2 TIP3 906 70.731 79.945 17.260 1.00 0.00 WT3 H ATOM 37072 OH2 TIP3 907 72.196 10.356 51.110 1.00 0.00 WT3 O ATOM 37073 H1 TIP3 907 71.302 10.300 51.445 1.00 0.00 WT3 H ATOM 37074 H2 TIP3 907 72.103 10.741 50.239 1.00 0.00 WT3 H ATOM 37075 OH2 TIP3 908 22.657 77.445 64.064 1.00 0.00 WT3 O ATOM 37076 H1 TIP3 908 23.601 77.599 64.066 1.00 0.00 WT3 H ATOM 37077 H2 TIP3 908 22.273 78.303 64.244 1.00 0.00 WT3 H ATOM 37078 OH2 TIP3 911 39.743 69.974 6.603 1.00 0.00 WT3 O ATOM 37079 H1 TIP3 911 40.124 69.970 5.724 1.00 0.00 WT3 H ATOM 37080 H2 TIP3 911 40.441 69.640 7.168 1.00 0.00 WT3 H ATOM 37081 OH2 TIP3 912 25.909 35.732 -0.205 1.00 0.00 WT3 O ATOM 37082 H1 TIP3 912 26.423 36.456 0.153 1.00 0.00 WT3 H ATOM 37083 H2 TIP3 912 26.151 34.978 0.332 1.00 0.00 WT3 H ATOM 37084 OH2 TIP3 916 66.004 5.685 8.240 1.00 0.00 WT3 O ATOM 37085 H1 TIP3 916 66.721 5.091 8.018 1.00 0.00 WT3 H ATOM 37086 H2 TIP3 916 65.588 5.883 7.401 1.00 0.00 WT3 H ATOM 37087 OH2 TIP3 917 41.680 48.815 62.359 1.00 0.00 WT3 O ATOM 37088 H1 TIP3 917 42.301 49.501 62.112 1.00 0.00 WT3 H ATOM 37089 H2 TIP3 917 41.490 48.357 61.541 1.00 0.00 WT3 H ATOM 37090 OH2 TIP3 918 82.900 34.905 42.672 1.00 0.00 WT3 O ATOM 37091 H1 TIP3 918 82.910 35.747 42.215 1.00 0.00 WT3 H ATOM 37092 H2 TIP3 918 83.142 34.266 42.002 1.00 0.00 WT3 H ATOM 37093 OH2 TIP3 919 52.886 63.674 8.613 1.00 0.00 WT3 O ATOM 37094 H1 TIP3 919 53.697 64.159 8.766 1.00 0.00 WT3 H ATOM 37095 H2 TIP3 919 52.549 63.487 9.489 1.00 0.00 WT3 H ATOM 37096 OH2 TIP3 921 35.336 68.278 44.044 1.00 0.00 WT3 O ATOM 37097 H1 TIP3 921 35.425 67.912 43.164 1.00 0.00 WT3 H ATOM 37098 H2 TIP3 921 36.234 68.468 44.316 1.00 0.00 WT3 H ATOM 37099 OH2 TIP3 924 53.471 93.074 8.421 1.00 0.00 WT3 O ATOM 37100 H1 TIP3 924 52.554 93.297 8.580 1.00 0.00 WT3 H ATOM 37101 H2 TIP3 924 53.771 92.692 9.246 1.00 0.00 WT3 H ATOM 37102 OH2 TIP3 927 59.875 84.276 29.269 1.00 0.00 WT3 O ATOM 37103 H1 TIP3 927 59.551 85.150 29.487 1.00 0.00 WT3 H ATOM 37104 H2 TIP3 927 59.291 83.680 29.738 1.00 0.00 WT3 H ATOM 37105 OH2 TIP3 928 39.789 53.434 66.155 1.00 0.00 WT3 O ATOM 37106 H1 TIP3 928 40.569 53.898 65.852 1.00 0.00 WT3 H ATOM 37107 H2 TIP3 928 39.600 52.802 65.461 1.00 0.00 WT3 H ATOM 37108 OH2 TIP3 929 55.671 82.822 35.986 1.00 0.00 WT3 O ATOM 37109 H1 TIP3 929 55.249 83.458 35.408 1.00 0.00 WT3 H ATOM 37110 H2 TIP3 929 55.035 82.110 36.063 1.00 0.00 WT3 H ATOM 37111 OH2 TIP3 930 83.471 15.297 59.975 1.00 0.00 WT3 O ATOM 37112 H1 TIP3 930 84.371 15.515 60.217 1.00 0.00 WT3 H ATOM 37113 H2 TIP3 930 83.307 14.454 60.398 1.00 0.00 WT3 H ATOM 37114 OH2 TIP3 932 67.252 60.403 36.431 1.00 0.00 WT3 O ATOM 37115 H1 TIP3 932 66.604 61.093 36.282 1.00 0.00 WT3 H ATOM 37116 H2 TIP3 932 66.827 59.804 37.044 1.00 0.00 WT3 H ATOM 37117 OH2 TIP3 933 53.048 88.725 -19.248 1.00 0.00 WT3 O ATOM 37118 H1 TIP3 933 52.360 89.181 -19.734 1.00 0.00 WT3 H ATOM 37119 H2 TIP3 933 53.021 87.828 -19.580 1.00 0.00 WT3 H ATOM 37120 OH2 TIP3 936 88.524 49.670 57.401 1.00 0.00 WT3 O ATOM 37121 H1 TIP3 936 87.818 50.055 57.921 1.00 0.00 WT3 H ATOM 37122 H2 TIP3 936 88.567 50.215 56.615 1.00 0.00 WT3 H ATOM 37123 OH2 TIP3 937 83.150 3.809 7.373 1.00 0.00 WT3 O ATOM 37124 H1 TIP3 937 83.750 3.575 8.081 1.00 0.00 WT3 H ATOM 37125 H2 TIP3 937 83.713 4.181 6.694 1.00 0.00 WT3 H ATOM 37126 OH2 TIP3 938 34.898 75.718 49.296 1.00 0.00 WT3 O ATOM 37127 H1 TIP3 938 35.768 75.617 49.682 1.00 0.00 WT3 H ATOM 37128 H2 TIP3 938 34.753 74.904 48.814 1.00 0.00 WT3 H ATOM 37129 OH2 TIP3 939 49.646 52.475 -2.218 1.00 0.00 WT3 O ATOM 37130 H1 TIP3 939 49.200 52.916 -1.495 1.00 0.00 WT3 H ATOM 37131 H2 TIP3 939 50.514 52.877 -2.245 1.00 0.00 WT3 H ATOM 37132 OH2 TIP3 940 64.871 47.472 43.081 1.00 0.00 WT3 O ATOM 37133 H1 TIP3 940 64.319 47.082 42.404 1.00 0.00 WT3 H ATOM 37134 H2 TIP3 940 64.495 48.340 43.227 1.00 0.00 WT3 H ATOM 37135 OH2 TIP3 941 27.815 23.979 64.462 1.00 0.00 WT3 O ATOM 37136 H1 TIP3 941 27.589 24.428 63.648 1.00 0.00 WT3 H ATOM 37137 H2 TIP3 941 28.720 23.694 64.335 1.00 0.00 WT3 H ATOM 37138 OH2 TIP3 942 36.003 60.379 11.551 1.00 0.00 WT3 O ATOM 37139 H1 TIP3 942 36.657 60.944 11.141 1.00 0.00 WT3 H ATOM 37140 H2 TIP3 942 35.859 60.765 12.415 1.00 0.00 WT3 H ATOM 37141 OH2 TIP3 944 73.073 76.297 -13.599 1.00 0.00 WT3 O ATOM 37142 H1 TIP3 944 73.131 77.152 -13.172 1.00 0.00 WT3 H ATOM 37143 H2 TIP3 944 72.510 75.779 -13.024 1.00 0.00 WT3 H ATOM 37144 OH2 TIP3 946 22.776 22.517 19.003 1.00 0.00 WT3 O ATOM 37145 H1 TIP3 946 22.085 22.318 19.634 1.00 0.00 WT3 H ATOM 37146 H2 TIP3 946 23.591 22.373 19.485 1.00 0.00 WT3 H ATOM 37147 OH2 TIP3 947 40.819 95.179 7.533 1.00 0.00 WT3 O ATOM 37148 H1 TIP3 947 41.244 94.471 8.018 1.00 0.00 WT3 H ATOM 37149 H2 TIP3 947 41.525 95.583 7.030 1.00 0.00 WT3 H ATOM 37150 OH2 TIP3 948 53.003 69.009 65.933 1.00 0.00 WT3 O ATOM 37151 H1 TIP3 948 53.795 68.961 66.468 1.00 0.00 WT3 H ATOM 37152 H2 TIP3 948 52.415 68.359 66.315 1.00 0.00 WT3 H ATOM 37153 OH2 TIP3 949 35.673 60.503 46.333 1.00 0.00 WT3 O ATOM 37154 H1 TIP3 949 35.636 61.275 46.897 1.00 0.00 WT3 H ATOM 37155 H2 TIP3 949 35.941 60.841 45.479 1.00 0.00 WT3 H ATOM 37156 OH2 TIP3 950 33.803 30.919 1.954 1.00 0.00 WT3 O ATOM 37157 H1 TIP3 950 33.448 30.048 1.775 1.00 0.00 WT3 H ATOM 37158 H2 TIP3 950 33.130 31.522 1.637 1.00 0.00 WT3 H ATOM 37159 OH2 TIP3 951 36.733 36.830 -11.504 1.00 0.00 WT3 O ATOM 37160 H1 TIP3 951 37.375 36.173 -11.773 1.00 0.00 WT3 H ATOM 37161 H2 TIP3 951 36.209 36.391 -10.833 1.00 0.00 WT3 H ATOM 37162 OH2 TIP3 952 20.995 84.464 -16.796 1.00 0.00 WT3 O ATOM 37163 H1 TIP3 952 21.404 84.031 -16.047 1.00 0.00 WT3 H ATOM 37164 H2 TIP3 952 21.655 84.420 -17.488 1.00 0.00 WT3 H ATOM 37165 OH2 TIP3 953 77.164 24.866 -3.309 1.00 0.00 WT3 O ATOM 37166 H1 TIP3 953 76.523 25.575 -3.365 1.00 0.00 WT3 H ATOM 37167 H2 TIP3 953 77.820 25.083 -3.971 1.00 0.00 WT3 H ATOM 37168 OH2 TIP3 954 70.008 90.454 49.987 1.00 0.00 WT3 O ATOM 37169 H1 TIP3 954 70.328 89.688 49.511 1.00 0.00 WT3 H ATOM 37170 H2 TIP3 954 69.384 90.098 50.621 1.00 0.00 WT3 H ATOM 37171 OH2 TIP3 956 32.828 6.802 -15.401 1.00 0.00 WT3 O ATOM 37172 H1 TIP3 956 33.149 7.137 -14.564 1.00 0.00 WT3 H ATOM 37173 H2 TIP3 956 33.188 7.403 -16.054 1.00 0.00 WT3 H ATOM 37174 OH2 TIP3 957 46.568 61.555 -13.777 1.00 0.00 WT3 O ATOM 37175 H1 TIP3 957 46.036 62.204 -13.316 1.00 0.00 WT3 H ATOM 37176 H2 TIP3 957 46.000 60.789 -13.854 1.00 0.00 WT3 H ATOM 37177 OH2 TIP3 958 76.206 76.692 45.179 1.00 0.00 WT3 O ATOM 37178 H1 TIP3 958 77.083 76.627 45.556 1.00 0.00 WT3 H ATOM 37179 H2 TIP3 958 76.357 76.810 44.241 1.00 0.00 WT3 H ATOM 37180 OH2 TIP3 959 49.930 73.676 44.848 1.00 0.00 WT3 O ATOM 37181 H1 TIP3 959 48.994 73.479 44.867 1.00 0.00 WT3 H ATOM 37182 H2 TIP3 959 50.357 72.823 44.925 1.00 0.00 WT3 H ATOM 37183 OH2 TIP3 960 58.709 26.733 64.332 1.00 0.00 WT3 O ATOM 37184 H1 TIP3 960 58.548 26.898 63.403 1.00 0.00 WT3 H ATOM 37185 H2 TIP3 960 59.661 26.663 64.402 1.00 0.00 WT3 H ATOM 37186 OH2 TIP3 961 69.468 10.208 57.236 1.00 0.00 WT3 O ATOM 37187 H1 TIP3 961 69.813 11.059 57.506 1.00 0.00 WT3 H ATOM 37188 H2 TIP3 961 68.648 10.117 57.721 1.00 0.00 WT3 H ATOM 37189 OH2 TIP3 962 73.431 35.414 0.410 1.00 0.00 WT3 O ATOM 37190 H1 TIP3 962 73.388 34.465 0.291 1.00 0.00 WT3 H ATOM 37191 H2 TIP3 962 72.698 35.617 0.991 1.00 0.00 WT3 H ATOM 37192 OH2 TIP3 963 61.143 37.984 -5.160 1.00 0.00 WT3 O ATOM 37193 H1 TIP3 963 60.459 37.462 -4.742 1.00 0.00 WT3 H ATOM 37194 H2 TIP3 963 61.280 38.721 -4.565 1.00 0.00 WT3 H ATOM 37195 OH2 TIP3 964 85.404 43.002 -9.605 1.00 0.00 WT3 O ATOM 37196 H1 TIP3 964 84.501 43.016 -9.286 1.00 0.00 WT3 H ATOM 37197 H2 TIP3 964 85.433 42.259 -10.207 1.00 0.00 WT3 H ATOM 37198 OH2 TIP3 965 53.646 14.469 38.160 1.00 0.00 WT3 O ATOM 37199 H1 TIP3 965 53.337 15.113 38.797 1.00 0.00 WT3 H ATOM 37200 H2 TIP3 965 52.902 13.880 38.035 1.00 0.00 WT3 H ATOM 37201 OH2 TIP3 966 63.726 24.427 -12.808 1.00 0.00 WT3 O ATOM 37202 H1 TIP3 966 63.947 25.086 -13.466 1.00 0.00 WT3 H ATOM 37203 H2 TIP3 966 63.044 24.838 -12.276 1.00 0.00 WT3 H ATOM 37204 OH2 TIP3 967 38.293 42.638 63.442 1.00 0.00 WT3 O ATOM 37205 H1 TIP3 967 38.799 43.450 63.410 1.00 0.00 WT3 H ATOM 37206 H2 TIP3 967 38.188 42.385 62.525 1.00 0.00 WT3 H ATOM 37207 OH2 TIP3 970 83.412 73.511 39.272 1.00 0.00 WT3 O ATOM 37208 H1 TIP3 970 83.793 73.205 38.449 1.00 0.00 WT3 H ATOM 37209 H2 TIP3 970 84.147 73.896 39.749 1.00 0.00 WT3 H ATOM 37210 OH2 TIP3 971 69.840 53.705 23.246 1.00 0.00 WT3 O ATOM 37211 H1 TIP3 971 69.083 54.199 23.559 1.00 0.00 WT3 H ATOM 37212 H2 TIP3 971 69.464 52.977 22.752 1.00 0.00 WT3 H ATOM 37213 OH2 TIP3 972 57.931 96.375 16.461 1.00 0.00 WT3 O ATOM 37214 H1 TIP3 972 57.172 95.842 16.225 1.00 0.00 WT3 H ATOM 37215 H2 TIP3 972 57.958 96.344 17.417 1.00 0.00 WT3 H ATOM 37216 OH2 TIP3 973 77.120 82.091 -2.618 1.00 0.00 WT3 O ATOM 37217 H1 TIP3 973 78.036 82.040 -2.345 1.00 0.00 WT3 H ATOM 37218 H2 TIP3 973 77.044 82.946 -3.041 1.00 0.00 WT3 H ATOM 37219 OH2 TIP3 974 89.130 40.815 -7.225 1.00 0.00 WT3 O ATOM 37220 H1 TIP3 974 88.730 41.586 -7.627 1.00 0.00 WT3 H ATOM 37221 H2 TIP3 974 90.048 40.854 -7.492 1.00 0.00 WT3 H ATOM 37222 OH2 TIP3 975 73.792 93.042 29.350 1.00 0.00 WT3 O ATOM 37223 H1 TIP3 975 73.078 92.994 29.985 1.00 0.00 WT3 H ATOM 37224 H2 TIP3 975 73.782 92.191 28.912 1.00 0.00 WT3 H ATOM 37225 OH2 TIP3 976 31.236 85.439 17.316 1.00 0.00 WT3 O ATOM 37226 H1 TIP3 976 32.016 84.889 17.243 1.00 0.00 WT3 H ATOM 37227 H2 TIP3 976 30.990 85.385 18.240 1.00 0.00 WT3 H ATOM 37228 OH2 TIP3 977 51.411 60.109 44.966 1.00 0.00 WT3 O ATOM 37229 H1 TIP3 977 51.228 60.629 44.183 1.00 0.00 WT3 H ATOM 37230 H2 TIP3 977 52.337 59.882 44.893 1.00 0.00 WT3 H ATOM 37231 OH2 TIP3 978 27.441 65.607 -4.763 1.00 0.00 WT3 O ATOM 37232 H1 TIP3 978 27.899 66.242 -4.212 1.00 0.00 WT3 H ATOM 37233 H2 TIP3 978 27.890 65.654 -5.607 1.00 0.00 WT3 H ATOM 37234 OH2 TIP3 979 49.379 46.840 41.461 1.00 0.00 WT3 O ATOM 37235 H1 TIP3 979 49.307 46.070 40.897 1.00 0.00 WT3 H ATOM 37236 H2 TIP3 979 48.692 47.430 41.151 1.00 0.00 WT3 H ATOM 37237 OH2 TIP3 980 23.904 48.843 41.362 1.00 0.00 WT3 O ATOM 37238 H1 TIP3 980 24.478 49.148 42.064 1.00 0.00 WT3 H ATOM 37239 H2 TIP3 980 24.073 49.445 40.636 1.00 0.00 WT3 H ATOM 37240 OH2 TIP3 982 53.082 87.345 19.613 1.00 0.00 WT3 O ATOM 37241 H1 TIP3 982 52.391 86.956 19.078 1.00 0.00 WT3 H ATOM 37242 H2 TIP3 982 53.895 87.103 19.168 1.00 0.00 WT3 H ATOM 37243 OH2 TIP3 983 48.123 84.551 -18.502 1.00 0.00 WT3 O ATOM 37244 H1 TIP3 983 47.502 83.844 -18.672 1.00 0.00 WT3 H ATOM 37245 H2 TIP3 983 47.771 85.000 -17.733 1.00 0.00 WT3 H ATOM 37246 OH2 TIP3 984 45.282 69.946 49.537 1.00 0.00 WT3 O ATOM 37247 H1 TIP3 984 45.581 69.323 48.875 1.00 0.00 WT3 H ATOM 37248 H2 TIP3 984 44.377 70.140 49.292 1.00 0.00 WT3 H ATOM 37249 OH2 TIP3 985 43.179 57.305 6.777 1.00 0.00 WT3 O ATOM 37250 H1 TIP3 985 43.862 57.867 7.143 1.00 0.00 WT3 H ATOM 37251 H2 TIP3 985 43.623 56.799 6.097 1.00 0.00 WT3 H ATOM 37252 OH2 TIP3 986 42.199 26.711 30.438 1.00 0.00 WT3 O ATOM 37253 H1 TIP3 986 42.972 26.168 30.591 1.00 0.00 WT3 H ATOM 37254 H2 TIP3 986 42.521 27.610 30.500 1.00 0.00 WT3 H ATOM 37255 OH2 TIP3 988 80.350 91.538 -18.002 1.00 0.00 WT3 O ATOM 37256 H1 TIP3 988 79.752 91.966 -17.389 1.00 0.00 WT3 H ATOM 37257 H2 TIP3 988 81.191 91.972 -17.860 1.00 0.00 WT3 H ATOM 37258 OH2 TIP3 992 88.735 15.286 3.681 1.00 0.00 WT3 O ATOM 37259 H1 TIP3 992 88.463 15.972 4.291 1.00 0.00 WT3 H ATOM 37260 H2 TIP3 992 89.053 14.579 4.242 1.00 0.00 WT3 H ATOM 37261 OH2 TIP3 993 71.189 39.747 7.148 1.00 0.00 WT3 O ATOM 37262 H1 TIP3 993 72.122 39.909 7.290 1.00 0.00 WT3 H ATOM 37263 H2 TIP3 993 70.752 40.236 7.845 1.00 0.00 WT3 H ATOM 37264 OH2 TIP3 994 42.108 76.185 8.189 1.00 0.00 WT3 O ATOM 37265 H1 TIP3 994 42.335 75.376 7.731 1.00 0.00 WT3 H ATOM 37266 H2 TIP3 994 42.940 76.648 8.287 1.00 0.00 WT3 H ATOM 37267 OH2 TIP3 995 78.267 31.921 -13.539 1.00 0.00 WT3 O ATOM 37268 H1 TIP3 995 78.938 31.724 -12.886 1.00 0.00 WT3 H ATOM 37269 H2 TIP3 995 78.303 31.185 -14.150 1.00 0.00 WT3 H ATOM 37270 OH2 TIP3 996 33.522 72.879 -8.476 1.00 0.00 WT3 O ATOM 37271 H1 TIP3 996 32.955 73.634 -8.629 1.00 0.00 WT3 H ATOM 37272 H2 TIP3 996 33.026 72.133 -8.813 1.00 0.00 WT3 H ATOM 37273 OH2 TIP3 997 38.542 49.215 60.025 1.00 0.00 WT3 O ATOM 37274 H1 TIP3 997 38.254 49.354 59.123 1.00 0.00 WT3 H ATOM 37275 H2 TIP3 997 38.116 48.400 60.290 1.00 0.00 WT3 H ATOM 37276 OH2 TIP3 998 43.484 87.195 25.009 1.00 0.00 WT3 O ATOM 37277 H1 TIP3 998 43.373 87.456 24.095 1.00 0.00 WT3 H ATOM 37278 H2 TIP3 998 44.179 87.764 25.339 1.00 0.00 WT3 H ATOM 37279 OH2 TIP3 999 26.400 20.999 62.336 1.00 0.00 WT3 O ATOM 37280 H1 TIP3 999 26.682 21.913 62.311 1.00 0.00 WT3 H ATOM 37281 H2 TIP3 999 25.455 21.042 62.484 1.00 0.00 WT3 H ATOM 37282 OH2 TIP3 1000 27.172 72.713 11.987 1.00 0.00 WT3 O ATOM 37283 H1 TIP3 1000 27.531 71.827 12.039 1.00 0.00 WT3 H ATOM 37284 H2 TIP3 1000 26.286 72.633 12.339 1.00 0.00 WT3 H ATOM 37285 OH2 TIP3 1001 68.400 26.552 36.457 1.00 0.00 WT3 O ATOM 37286 H1 TIP3 1001 69.278 26.901 36.307 1.00 0.00 WT3 H ATOM 37287 H2 TIP3 1001 68.538 25.790 37.020 1.00 0.00 WT3 H ATOM 37288 OH2 TIP3 1002 24.008 45.884 49.409 1.00 0.00 WT3 O ATOM 37289 H1 TIP3 1002 23.259 45.343 49.658 1.00 0.00 WT3 H ATOM 37290 H2 TIP3 1002 23.766 46.252 48.559 1.00 0.00 WT3 H ATOM 37291 OH2 TIP3 1003 68.094 42.644 29.589 1.00 0.00 WT3 O ATOM 37292 H1 TIP3 1003 67.273 42.976 29.952 1.00 0.00 WT3 H ATOM 37293 H2 TIP3 1003 68.564 43.428 29.304 1.00 0.00 WT3 H ATOM 37294 OH2 TIP3 1004 51.136 92.423 22.256 1.00 0.00 WT3 O ATOM 37295 H1 TIP3 1004 50.766 91.665 22.710 1.00 0.00 WT3 H ATOM 37296 H2 TIP3 1004 51.454 92.991 22.957 1.00 0.00 WT3 H ATOM 37297 OH2 TIP3 1005 63.552 68.542 63.660 1.00 0.00 WT3 O ATOM 37298 H1 TIP3 1005 63.294 68.745 62.761 1.00 0.00 WT3 H ATOM 37299 H2 TIP3 1005 62.960 69.062 64.203 1.00 0.00 WT3 H ATOM 37300 OH2 TIP3 1006 60.586 1.565 -5.394 1.00 0.00 WT3 O ATOM 37301 H1 TIP3 1006 61.392 1.068 -5.532 1.00 0.00 WT3 H ATOM 37302 H2 TIP3 1006 60.587 1.770 -4.459 1.00 0.00 WT3 H ATOM 37303 OH2 TIP3 1007 26.899 31.833 38.764 1.00 0.00 WT3 O ATOM 37304 H1 TIP3 1007 26.106 32.354 38.638 1.00 0.00 WT3 H ATOM 37305 H2 TIP3 1007 26.590 31.016 39.156 1.00 0.00 WT3 H ATOM 37306 OH2 TIP3 1009 77.613 23.797 17.158 1.00 0.00 WT3 O ATOM 37307 H1 TIP3 1009 77.358 23.111 16.542 1.00 0.00 WT3 H ATOM 37308 H2 TIP3 1009 78.229 23.369 17.753 1.00 0.00 WT3 H ATOM 37309 OH2 TIP3 1010 80.793 84.627 48.686 1.00 0.00 WT3 O ATOM 37310 H1 TIP3 1010 80.186 85.082 48.102 1.00 0.00 WT3 H ATOM 37311 H2 TIP3 1010 80.475 83.724 48.705 1.00 0.00 WT3 H ATOM 37312 OH2 TIP3 1011 82.510 83.333 4.185 1.00 0.00 WT3 O ATOM 37313 H1 TIP3 1011 83.142 83.468 4.891 1.00 0.00 WT3 H ATOM 37314 H2 TIP3 1011 82.176 82.448 4.328 1.00 0.00 WT3 H ATOM 37315 OH2 TIP3 1012 78.135 70.921 49.638 1.00 0.00 WT3 O ATOM 37316 H1 TIP3 1012 77.415 71.423 49.255 1.00 0.00 WT3 H ATOM 37317 H2 TIP3 1012 78.575 70.522 48.888 1.00 0.00 WT3 H ATOM 37318 OH2 TIP3 1013 71.225 67.820 39.576 1.00 0.00 WT3 O ATOM 37319 H1 TIP3 1013 70.604 68.404 39.141 1.00 0.00 WT3 H ATOM 37320 H2 TIP3 1013 71.612 68.354 40.270 1.00 0.00 WT3 H ATOM 37321 OH2 TIP3 1014 65.780 53.114 29.631 1.00 0.00 WT3 O ATOM 37322 H1 TIP3 1014 65.600 52.175 29.625 1.00 0.00 WT3 H ATOM 37323 H2 TIP3 1014 65.417 53.434 28.805 1.00 0.00 WT3 H ATOM 37324 OH2 TIP3 1015 56.290 47.825 47.831 1.00 0.00 WT3 O ATOM 37325 H1 TIP3 1015 56.139 47.597 48.749 1.00 0.00 WT3 H ATOM 37326 H2 TIP3 1015 57.223 48.032 47.786 1.00 0.00 WT3 H ATOM 37327 OH2 TIP3 1017 53.860 21.883 -18.946 1.00 0.00 WT3 O ATOM 37328 H1 TIP3 1017 53.080 22.373 -18.687 1.00 0.00 WT3 H ATOM 37329 H2 TIP3 1017 54.486 22.034 -18.238 1.00 0.00 WT3 H ATOM 37330 OH2 TIP3 1018 61.665 9.852 1.586 1.00 0.00 WT3 O ATOM 37331 H1 TIP3 1018 62.131 10.549 2.047 1.00 0.00 WT3 H ATOM 37332 H2 TIP3 1018 61.985 9.044 1.988 1.00 0.00 WT3 H ATOM 37333 OH2 TIP3 1020 51.436 29.654 2.713 1.00 0.00 WT3 O ATOM 37334 H1 TIP3 1020 52.283 29.216 2.794 1.00 0.00 WT3 H ATOM 37335 H2 TIP3 1020 51.004 29.499 3.553 1.00 0.00 WT3 H ATOM 37336 OH2 TIP3 1022 43.586 17.156 67.097 1.00 0.00 WT3 O ATOM 37337 H1 TIP3 1022 44.525 17.337 67.070 1.00 0.00 WT3 H ATOM 37338 H2 TIP3 1022 43.525 16.239 67.364 1.00 0.00 WT3 H ATOM 37339 OH2 TIP3 1023 40.392 37.491 -17.023 1.00 0.00 WT3 O ATOM 37340 H1 TIP3 1023 40.835 37.550 -16.176 1.00 0.00 WT3 H ATOM 37341 H2 TIP3 1023 40.948 37.993 -17.619 1.00 0.00 WT3 H ATOM 37342 OH2 TIP3 1025 30.928 72.523 -18.159 1.00 0.00 WT3 O ATOM 37343 H1 TIP3 1025 31.617 73.134 -17.897 1.00 0.00 WT3 H ATOM 37344 H2 TIP3 1025 30.994 71.804 -17.531 1.00 0.00 WT3 H ATOM 37345 OH2 TIP3 1026 44.426 86.949 15.013 1.00 0.00 WT3 O ATOM 37346 H1 TIP3 1026 45.012 87.110 14.273 1.00 0.00 WT3 H ATOM 37347 H2 TIP3 1026 43.621 86.618 14.615 1.00 0.00 WT3 H ATOM 37348 OH2 TIP3 1027 35.652 58.528 -19.520 1.00 0.00 WT3 O ATOM 37349 H1 TIP3 1027 36.578 58.316 -19.640 1.00 0.00 WT3 H ATOM 37350 H2 TIP3 1027 35.226 57.680 -19.397 1.00 0.00 WT3 H ATOM 37351 OH2 TIP3 1028 38.513 57.395 66.652 1.00 0.00 WT3 O ATOM 37352 H1 TIP3 1028 39.201 57.237 67.299 1.00 0.00 WT3 H ATOM 37353 H2 TIP3 1028 38.372 56.542 66.241 1.00 0.00 WT3 H ATOM 37354 OH2 TIP3 1029 50.982 12.982 52.309 1.00 0.00 WT3 O ATOM 37355 H1 TIP3 1029 50.432 12.614 51.618 1.00 0.00 WT3 H ATOM 37356 H2 TIP3 1029 51.873 12.733 52.065 1.00 0.00 WT3 H ATOM 37357 OH2 TIP3 1030 29.049 72.390 54.654 1.00 0.00 WT3 O ATOM 37358 H1 TIP3 1030 28.715 73.278 54.528 1.00 0.00 WT3 H ATOM 37359 H2 TIP3 1030 29.710 72.477 55.340 1.00 0.00 WT3 H ATOM 37360 OH2 TIP3 1031 37.544 82.887 18.157 1.00 0.00 WT3 O ATOM 37361 H1 TIP3 1031 38.230 82.311 18.495 1.00 0.00 WT3 H ATOM 37362 H2 TIP3 1031 36.728 82.423 18.342 1.00 0.00 WT3 H ATOM 37363 OH2 TIP3 1032 27.275 38.468 34.642 1.00 0.00 WT3 O ATOM 37364 H1 TIP3 1032 26.642 39.103 34.978 1.00 0.00 WT3 H ATOM 37365 H2 TIP3 1032 27.932 39.000 34.193 1.00 0.00 WT3 H ATOM 37366 OH2 TIP3 1033 87.526 74.056 37.121 1.00 0.00 WT3 O ATOM 37367 H1 TIP3 1033 87.716 73.433 36.420 1.00 0.00 WT3 H ATOM 37368 H2 TIP3 1033 86.653 74.390 36.916 1.00 0.00 WT3 H ATOM 37369 OH2 TIP3 1035 61.844 67.694 -8.906 1.00 0.00 WT3 O ATOM 37370 H1 TIP3 1035 61.370 67.587 -8.081 1.00 0.00 WT3 H ATOM 37371 H2 TIP3 1035 61.202 67.474 -9.581 1.00 0.00 WT3 H ATOM 37372 OH2 TIP3 1036 89.412 62.851 35.787 1.00 0.00 WT3 O ATOM 37373 H1 TIP3 1036 89.539 61.960 35.460 1.00 0.00 WT3 H ATOM 37374 H2 TIP3 1036 89.794 63.412 35.113 1.00 0.00 WT3 H ATOM 37375 OH2 TIP3 1040 57.525 38.895 1.703 1.00 0.00 WT3 O ATOM 37376 H1 TIP3 1040 57.338 39.199 2.591 1.00 0.00 WT3 H ATOM 37377 H2 TIP3 1040 56.673 38.897 1.265 1.00 0.00 WT3 H ATOM 37378 OH2 TIP3 1041 31.172 10.136 27.399 1.00 0.00 WT3 O ATOM 37379 H1 TIP3 1041 31.098 11.006 27.008 1.00 0.00 WT3 H ATOM 37380 H2 TIP3 1041 31.945 9.752 26.985 1.00 0.00 WT3 H ATOM 37381 OH2 TIP3 1042 82.873 61.949 15.574 1.00 0.00 WT3 O ATOM 37382 H1 TIP3 1042 82.499 61.068 15.545 1.00 0.00 WT3 H ATOM 37383 H2 TIP3 1042 83.632 61.869 16.152 1.00 0.00 WT3 H ATOM 37384 OH2 TIP3 1043 44.142 81.036 16.032 1.00 0.00 WT3 O ATOM 37385 H1 TIP3 1043 43.318 81.523 16.048 1.00 0.00 WT3 H ATOM 37386 H2 TIP3 1043 44.102 80.524 15.224 1.00 0.00 WT3 H ATOM 37387 OH2 TIP3 1044 82.897 68.209 35.775 1.00 0.00 WT3 O ATOM 37388 H1 TIP3 1044 82.192 67.575 35.639 1.00 0.00 WT3 H ATOM 37389 H2 TIP3 1044 82.959 68.681 34.944 1.00 0.00 WT3 H ATOM 37390 OH2 TIP3 1045 59.530 81.670 48.546 1.00 0.00 WT3 O ATOM 37391 H1 TIP3 1045 59.711 82.609 48.539 1.00 0.00 WT3 H ATOM 37392 H2 TIP3 1045 58.851 81.551 47.882 1.00 0.00 WT3 H ATOM 37393 OH2 TIP3 1046 44.285 47.809 -5.274 1.00 0.00 WT3 O ATOM 37394 H1 TIP3 1046 45.068 48.351 -5.181 1.00 0.00 WT3 H ATOM 37395 H2 TIP3 1046 43.613 48.268 -4.770 1.00 0.00 WT3 H ATOM 37396 OH2 TIP3 1047 74.019 68.844 54.588 1.00 0.00 WT3 O ATOM 37397 H1 TIP3 1047 74.231 68.059 54.083 1.00 0.00 WT3 H ATOM 37398 H2 TIP3 1047 73.185 69.145 54.227 1.00 0.00 WT3 H ATOM 37399 OH2 TIP3 1048 22.444 59.046 -14.942 1.00 0.00 WT3 O ATOM 37400 H1 TIP3 1048 22.691 59.924 -15.230 1.00 0.00 WT3 H ATOM 37401 H2 TIP3 1048 21.568 59.152 -14.571 1.00 0.00 WT3 H ATOM 37402 OH2 TIP3 1050 56.270 16.315 24.029 1.00 0.00 WT3 O ATOM 37403 H1 TIP3 1050 56.892 16.543 24.720 1.00 0.00 WT3 H ATOM 37404 H2 TIP3 1050 55.676 17.064 23.984 1.00 0.00 WT3 H ATOM 37405 OH2 TIP3 1051 80.871 60.691 37.083 1.00 0.00 WT3 O ATOM 37406 H1 TIP3 1051 80.215 61.281 37.455 1.00 0.00 WT3 H ATOM 37407 H2 TIP3 1051 80.643 59.829 37.432 1.00 0.00 WT3 H ATOM 37408 OH2 TIP3 1052 84.913 80.978 24.287 1.00 0.00 WT3 O ATOM 37409 H1 TIP3 1052 84.161 81.031 24.878 1.00 0.00 WT3 H ATOM 37410 H2 TIP3 1052 85.506 80.356 24.709 1.00 0.00 WT3 H ATOM 37411 OH2 TIP3 1053 82.909 34.843 17.240 1.00 0.00 WT3 O ATOM 37412 H1 TIP3 1053 82.108 35.106 16.787 1.00 0.00 WT3 H ATOM 37413 H2 TIP3 1053 83.617 35.128 16.662 1.00 0.00 WT3 H ATOM 37414 OH2 TIP3 1054 50.355 95.054 57.722 1.00 0.00 WT3 O ATOM 37415 H1 TIP3 1054 50.170 94.279 58.252 1.00 0.00 WT3 H ATOM 37416 H2 TIP3 1054 50.267 95.788 58.330 1.00 0.00 WT3 H ATOM 37417 OH2 TIP3 1055 31.350 16.313 16.353 1.00 0.00 WT3 O ATOM 37418 H1 TIP3 1055 30.702 16.836 15.881 1.00 0.00 WT3 H ATOM 37419 H2 TIP3 1055 31.687 16.901 17.029 1.00 0.00 WT3 H ATOM 37420 OH2 TIP3 1058 25.435 71.866 26.041 1.00 0.00 WT3 O ATOM 37421 H1 TIP3 1058 25.197 71.127 25.482 1.00 0.00 WT3 H ATOM 37422 H2 TIP3 1058 25.507 72.608 25.441 1.00 0.00 WT3 H ATOM 37423 OH2 TIP3 1059 68.411 35.936 -3.217 1.00 0.00 WT3 O ATOM 37424 H1 TIP3 1059 68.640 36.453 -3.989 1.00 0.00 WT3 H ATOM 37425 H2 TIP3 1059 67.753 36.462 -2.763 1.00 0.00 WT3 H ATOM 37426 OH2 TIP3 1060 62.664 39.286 -7.502 1.00 0.00 WT3 O ATOM 37427 H1 TIP3 1060 62.435 38.849 -6.682 1.00 0.00 WT3 H ATOM 37428 H2 TIP3 1060 63.218 40.019 -7.237 1.00 0.00 WT3 H ATOM 37429 OH2 TIP3 1061 64.692 15.024 16.722 1.00 0.00 WT3 O ATOM 37430 H1 TIP3 1061 64.503 14.590 17.553 1.00 0.00 WT3 H ATOM 37431 H2 TIP3 1061 64.131 15.799 16.722 1.00 0.00 WT3 H ATOM 37432 OH2 TIP3 1062 78.468 93.393 61.594 1.00 0.00 WT3 O ATOM 37433 H1 TIP3 1062 78.133 93.031 60.774 1.00 0.00 WT3 H ATOM 37434 H2 TIP3 1062 79.405 93.196 61.577 1.00 0.00 WT3 H ATOM 37435 OH2 TIP3 1063 67.423 49.975 -3.834 1.00 0.00 WT3 O ATOM 37436 H1 TIP3 1063 66.702 49.843 -3.219 1.00 0.00 WT3 H ATOM 37437 H2 TIP3 1063 67.351 50.894 -4.094 1.00 0.00 WT3 H ATOM 37438 OH2 TIP3 1067 76.248 92.306 49.050 1.00 0.00 WT3 O ATOM 37439 H1 TIP3 1067 77.093 92.431 48.619 1.00 0.00 WT3 H ATOM 37440 H2 TIP3 1067 76.450 92.331 49.986 1.00 0.00 WT3 H ATOM 37441 OH2 TIP3 1068 88.812 40.242 -16.007 1.00 0.00 WT3 O ATOM 37442 H1 TIP3 1068 89.067 39.349 -16.239 1.00 0.00 WT3 H ATOM 37443 H2 TIP3 1068 88.977 40.302 -15.066 1.00 0.00 WT3 H ATOM 37444 OH2 TIP3 1069 46.656 8.003 51.937 1.00 0.00 WT3 O ATOM 37445 H1 TIP3 1069 47.330 7.461 52.347 1.00 0.00 WT3 H ATOM 37446 H2 TIP3 1069 46.377 7.501 51.171 1.00 0.00 WT3 H ATOM 37447 OH2 TIP3 1070 72.092 70.605 5.486 1.00 0.00 WT3 O ATOM 37448 H1 TIP3 1070 71.502 70.880 4.784 1.00 0.00 WT3 H ATOM 37449 H2 TIP3 1070 71.606 69.926 5.954 1.00 0.00 WT3 H ATOM 37450 OH2 TIP3 1071 45.539 77.471 45.059 1.00 0.00 WT3 O ATOM 37451 H1 TIP3 1071 44.998 78.092 45.546 1.00 0.00 WT3 H ATOM 37452 H2 TIP3 1071 44.942 76.757 44.835 1.00 0.00 WT3 H ATOM 37453 OH2 TIP3 1074 23.400 79.854 -17.612 1.00 0.00 WT3 O ATOM 37454 H1 TIP3 1074 22.767 80.041 -16.919 1.00 0.00 WT3 H ATOM 37455 H2 TIP3 1074 24.062 79.306 -17.192 1.00 0.00 WT3 H ATOM 37456 OH2 TIP3 1076 49.244 38.370 59.931 1.00 0.00 WT3 O ATOM 37457 H1 TIP3 1076 48.589 38.624 59.281 1.00 0.00 WT3 H ATOM 37458 H2 TIP3 1076 49.502 39.192 60.347 1.00 0.00 WT3 H ATOM 37459 OH2 TIP3 1079 22.356 84.585 1.798 1.00 0.00 WT3 O ATOM 37460 H1 TIP3 1079 22.393 83.753 1.325 1.00 0.00 WT3 H ATOM 37461 H2 TIP3 1079 21.797 85.143 1.259 1.00 0.00 WT3 H ATOM 37462 OH2 TIP3 1080 29.980 71.959 31.968 1.00 0.00 WT3 O ATOM 37463 H1 TIP3 1080 30.836 72.334 32.176 1.00 0.00 WT3 H ATOM 37464 H2 TIP3 1080 29.625 71.690 32.815 1.00 0.00 WT3 H ATOM 37465 OH2 TIP3 1082 22.532 79.045 -2.308 1.00 0.00 WT3 O ATOM 37466 H1 TIP3 1082 21.640 78.745 -2.478 1.00 0.00 WT3 H ATOM 37467 H2 TIP3 1082 23.067 78.586 -2.955 1.00 0.00 WT3 H ATOM 37468 OH2 TIP3 1084 69.797 93.932 33.280 1.00 0.00 WT3 O ATOM 37469 H1 TIP3 1084 69.749 93.255 33.955 1.00 0.00 WT3 H ATOM 37470 H2 TIP3 1084 69.318 93.565 32.537 1.00 0.00 WT3 H ATOM 37471 OH2 TIP3 1085 55.031 83.944 47.428 1.00 0.00 WT3 O ATOM 37472 H1 TIP3 1085 55.188 84.791 47.011 1.00 0.00 WT3 H ATOM 37473 H2 TIP3 1085 55.801 83.420 47.205 1.00 0.00 WT3 H ATOM 37474 OH2 TIP3 1086 84.335 83.002 0.930 1.00 0.00 WT3 O ATOM 37475 H1 TIP3 1086 85.085 82.929 1.521 1.00 0.00 WT3 H ATOM 37476 H2 TIP3 1086 83.908 82.147 0.977 1.00 0.00 WT3 H ATOM 37477 OH2 TIP3 1087 75.220 85.718 54.759 1.00 0.00 WT3 O ATOM 37478 H1 TIP3 1087 75.111 84.774 54.649 1.00 0.00 WT3 H ATOM 37479 H2 TIP3 1087 76.042 85.919 54.313 1.00 0.00 WT3 H ATOM 37480 OH2 TIP3 1088 88.364 88.570 -19.977 1.00 0.00 WT3 O ATOM 37481 H1 TIP3 1088 87.804 88.693 -19.210 1.00 0.00 WT3 H ATOM 37482 H2 TIP3 1088 89.169 88.189 -19.627 1.00 0.00 WT3 H ATOM 37483 OH2 TIP3 1090 29.034 76.370 21.055 1.00 0.00 WT3 O ATOM 37484 H1 TIP3 1090 29.475 75.792 20.433 1.00 0.00 WT3 H ATOM 37485 H2 TIP3 1090 29.745 76.816 21.515 1.00 0.00 WT3 H ATOM 37486 OH2 TIP3 1094 73.394 44.934 64.694 1.00 0.00 WT3 O ATOM 37487 H1 TIP3 1094 73.724 45.739 64.294 1.00 0.00 WT3 H ATOM 37488 H2 TIP3 1094 72.811 45.234 65.391 1.00 0.00 WT3 H ATOM 37489 OH2 TIP3 1096 64.360 67.169 -7.815 1.00 0.00 WT3 O ATOM 37490 H1 TIP3 1096 64.360 66.218 -7.709 1.00 0.00 WT3 H ATOM 37491 H2 TIP3 1096 63.499 67.370 -8.181 1.00 0.00 WT3 H ATOM 37492 OH2 TIP3 1098 55.375 63.975 -4.662 1.00 0.00 WT3 O ATOM 37493 H1 TIP3 1098 55.395 64.713 -4.052 1.00 0.00 WT3 H ATOM 37494 H2 TIP3 1098 55.267 63.206 -4.103 1.00 0.00 WT3 H ATOM 37495 OH2 TIP3 1100 53.992 92.778 29.502 1.00 0.00 WT3 O ATOM 37496 H1 TIP3 1100 53.505 92.152 28.966 1.00 0.00 WT3 H ATOM 37497 H2 TIP3 1100 54.835 92.870 29.058 1.00 0.00 WT3 H ATOM 37498 OH2 TIP3 1102 42.791 74.020 -7.820 1.00 0.00 WT3 O ATOM 37499 H1 TIP3 1102 43.207 73.477 -7.150 1.00 0.00 WT3 H ATOM 37500 H2 TIP3 1102 41.960 74.288 -7.429 1.00 0.00 WT3 H ATOM 37501 OH2 TIP3 1103 51.757 84.926 6.560 1.00 0.00 WT3 O ATOM 37502 H1 TIP3 1103 51.426 84.041 6.712 1.00 0.00 WT3 H ATOM 37503 H2 TIP3 1103 51.767 85.018 5.607 1.00 0.00 WT3 H ATOM 37504 OH2 TIP3 1107 64.286 84.281 -1.354 1.00 0.00 WT3 O ATOM 37505 H1 TIP3 1107 64.906 84.614 -0.704 1.00 0.00 WT3 H ATOM 37506 H2 TIP3 1107 64.800 84.202 -2.157 1.00 0.00 WT3 H ATOM 37507 OH2 TIP3 1108 87.349 49.375 44.221 1.00 0.00 WT3 O ATOM 37508 H1 TIP3 1108 87.673 50.160 43.780 1.00 0.00 WT3 H ATOM 37509 H2 TIP3 1108 87.142 48.768 43.511 1.00 0.00 WT3 H ATOM 37510 OH2 TIP3 1112 67.382 3.533 45.592 1.00 0.00 WT3 O ATOM 37511 H1 TIP3 1112 66.799 3.223 44.899 1.00 0.00 WT3 H ATOM 37512 H2 TIP3 1112 67.260 2.908 46.306 1.00 0.00 WT3 H ATOM 37513 OH2 TIP3 1115 37.496 66.180 56.519 1.00 0.00 WT3 O ATOM 37514 H1 TIP3 1115 36.849 65.615 56.096 1.00 0.00 WT3 H ATOM 37515 H2 TIP3 1115 38.333 65.740 56.370 1.00 0.00 WT3 H ATOM 37516 OH2 TIP3 1117 42.052 4.806 54.608 1.00 0.00 WT3 O ATOM 37517 H1 TIP3 1117 42.467 4.587 55.442 1.00 0.00 WT3 H ATOM 37518 H2 TIP3 1117 42.553 4.316 53.955 1.00 0.00 WT3 H ATOM 37519 OH2 TIP3 1118 76.474 76.297 8.048 1.00 0.00 WT3 O ATOM 37520 H1 TIP3 1118 76.220 76.602 8.919 1.00 0.00 WT3 H ATOM 37521 H2 TIP3 1118 76.319 75.352 8.069 1.00 0.00 WT3 H ATOM 37522 OH2 TIP3 1119 70.226 92.378 -17.682 1.00 0.00 WT3 O ATOM 37523 H1 TIP3 1119 71.086 91.985 -17.529 1.00 0.00 WT3 H ATOM 37524 H2 TIP3 1119 70.149 93.056 -17.010 1.00 0.00 WT3 H ATOM 37525 OH2 TIP3 1120 71.934 32.365 2.128 1.00 0.00 WT3 O ATOM 37526 H1 TIP3 1120 71.478 32.711 1.361 1.00 0.00 WT3 H ATOM 37527 H2 TIP3 1120 71.621 32.902 2.856 1.00 0.00 WT3 H ATOM 37528 OH2 TIP3 1122 65.786 55.443 -9.616 1.00 0.00 WT3 O ATOM 37529 H1 TIP3 1122 66.125 56.333 -9.707 1.00 0.00 WT3 H ATOM 37530 H2 TIP3 1122 65.722 55.118 -10.515 1.00 0.00 WT3 H ATOM 37531 OH2 TIP3 1124 89.523 47.068 50.098 1.00 0.00 WT3 O ATOM 37532 H1 TIP3 1124 88.871 47.598 50.556 1.00 0.00 WT3 H ATOM 37533 H2 TIP3 1124 89.626 47.495 49.248 1.00 0.00 WT3 H ATOM 37534 OH2 TIP3 1127 42.969 75.470 49.786 1.00 0.00 WT3 O ATOM 37535 H1 TIP3 1127 43.731 76.043 49.709 1.00 0.00 WT3 H ATOM 37536 H2 TIP3 1127 43.243 74.650 49.374 1.00 0.00 WT3 H ATOM 37537 OH2 TIP3 1129 47.146 8.870 -4.477 1.00 0.00 WT3 O ATOM 37538 H1 TIP3 1129 47.138 8.853 -3.520 1.00 0.00 WT3 H ATOM 37539 H2 TIP3 1129 46.224 8.806 -4.726 1.00 0.00 WT3 H ATOM 37540 OH2 TIP3 1131 71.339 58.336 50.267 1.00 0.00 WT3 O ATOM 37541 H1 TIP3 1131 71.366 59.116 50.822 1.00 0.00 WT3 H ATOM 37542 H2 TIP3 1131 70.628 58.506 49.649 1.00 0.00 WT3 H ATOM 37543 OH2 TIP3 1137 68.031 96.063 -5.768 1.00 0.00 WT3 O ATOM 37544 H1 TIP3 1137 68.815 95.905 -5.241 1.00 0.00 WT3 H ATOM 37545 H2 TIP3 1137 67.839 95.216 -6.171 1.00 0.00 WT3 H ATOM 37546 OH2 TIP3 1145 68.794 75.156 11.046 1.00 0.00 WT3 O ATOM 37547 H1 TIP3 1145 69.362 74.455 11.365 1.00 0.00 WT3 H ATOM 37548 H2 TIP3 1145 68.166 74.714 10.474 1.00 0.00 WT3 H ATOM 37549 OH2 TIP3 1147 26.238 81.290 1.154 1.00 0.00 WT3 O ATOM 37550 H1 TIP3 1147 25.950 80.759 1.896 1.00 0.00 WT3 H ATOM 37551 H2 TIP3 1147 25.782 80.917 0.400 1.00 0.00 WT3 H ATOM 37552 OH2 TIP3 1148 21.096 35.572 12.668 1.00 0.00 WT3 O ATOM 37553 H1 TIP3 1148 20.684 35.178 11.899 1.00 0.00 WT3 H ATOM 37554 H2 TIP3 1148 20.491 35.386 13.386 1.00 0.00 WT3 H ATOM 37555 OH2 TIP3 1151 73.475 88.181 17.618 1.00 0.00 WT3 O ATOM 37556 H1 TIP3 1151 73.338 88.282 16.676 1.00 0.00 WT3 H ATOM 37557 H2 TIP3 1151 72.788 87.574 17.896 1.00 0.00 WT3 H ATOM 37558 OH2 TIP3 1164 81.967 30.786 51.765 1.00 0.00 WT3 O ATOM 37559 H1 TIP3 1164 82.363 31.201 52.532 1.00 0.00 WT3 H ATOM 37560 H2 TIP3 1164 81.024 30.892 51.895 1.00 0.00 WT3 H ATOM 37561 OH2 TIP3 1165 87.417 1.931 37.278 1.00 0.00 WT3 O ATOM 37562 H1 TIP3 1165 86.759 1.979 36.585 1.00 0.00 WT3 H ATOM 37563 H2 TIP3 1165 87.948 1.167 37.053 1.00 0.00 WT3 H ATOM 37564 OH2 TIP3 1186 52.564 74.575 29.210 1.00 0.00 WT3 O ATOM 37565 H1 TIP3 1186 53.019 74.276 29.997 1.00 0.00 WT3 H ATOM 37566 H2 TIP3 1186 52.255 73.772 28.791 1.00 0.00 WT3 H ATOM 37567 OH2 TIP3 1190 30.322 87.583 25.106 1.00 0.00 WT3 O ATOM 37568 H1 TIP3 1190 30.689 87.208 25.907 1.00 0.00 WT3 H ATOM 37569 H2 TIP3 1190 30.369 86.874 24.466 1.00 0.00 WT3 H ATOM 37570 OH2 TIP3 1201 47.299 39.791 0.570 1.00 0.00 WT3 O ATOM 37571 H1 TIP3 1201 47.034 38.925 0.259 1.00 0.00 WT3 H ATOM 37572 H2 TIP3 1201 46.955 39.842 1.461 1.00 0.00 WT3 H ATOM 37573 OH2 TIP3 1253 32.712 80.970 8.619 1.00 0.00 WT3 O ATOM 37574 H1 TIP3 1253 32.087 80.400 8.171 1.00 0.00 WT3 H ATOM 37575 H2 TIP3 1253 32.389 81.021 9.518 1.00 0.00 WT3 H ATOM 37576 OH2 TIP3 1272 56.300 35.884 64.175 1.00 0.00 WT3 O ATOM 37577 H1 TIP3 1272 56.127 36.818 64.059 1.00 0.00 WT3 H ATOM 37578 H2 TIP3 1272 55.491 35.454 63.897 1.00 0.00 WT3 H ATOM 37579 OH2 TIP3 1274 45.382 83.064 33.162 1.00 0.00 WT3 O ATOM 37580 H1 TIP3 1274 45.275 82.258 33.667 1.00 0.00 WT3 H ATOM 37581 H2 TIP3 1274 44.496 83.287 32.876 1.00 0.00 WT3 H ATOM 37582 OH2 TIP3 1297 32.100 83.749 26.554 1.00 0.00 WT3 O ATOM 37583 H1 TIP3 1297 31.165 83.943 26.491 1.00 0.00 WT3 H ATOM 37584 H2 TIP3 1297 32.136 82.840 26.854 1.00 0.00 WT3 H ATOM 37585 OH2 TIP3 1298 88.042 84.340 64.896 1.00 0.00 WT3 O ATOM 37586 H1 TIP3 1298 88.894 84.267 64.465 1.00 0.00 WT3 H ATOM 37587 H2 TIP3 1298 87.494 83.692 64.453 1.00 0.00 WT3 H ATOM 37588 OH2 TIP3 1301 37.534 12.446 58.920 1.00 0.00 WT3 O ATOM 37589 H1 TIP3 1301 37.242 11.826 59.589 1.00 0.00 WT3 H ATOM 37590 H2 TIP3 1301 38.216 12.961 59.350 1.00 0.00 WT3 H ATOM 37591 OH2 TIP3 1305 90.725 91.755 57.934 1.00 0.00 WT3 O ATOM 37592 H1 TIP3 1305 89.847 92.136 57.953 1.00 0.00 WT3 H ATOM 37593 H2 TIP3 1305 91.260 92.359 58.448 1.00 0.00 WT3 H ATOM 37594 OH2 TIP3 1307 84.239 30.528 -12.742 1.00 0.00 WT3 O ATOM 37595 H1 TIP3 1307 84.430 31.426 -13.013 1.00 0.00 WT3 H ATOM 37596 H2 TIP3 1307 83.845 30.617 -11.875 1.00 0.00 WT3 H ATOM 37597 OH2 TIP3 1308 52.945 96.622 35.476 1.00 0.00 WT3 O ATOM 37598 H1 TIP3 1308 53.384 97.167 34.823 1.00 0.00 WT3 H ATOM 37599 H2 TIP3 1308 53.191 95.726 35.245 1.00 0.00 WT3 H ATOM 37600 OH2 TIP3 1311 24.065 67.670 -4.491 1.00 0.00 WT3 O ATOM 37601 H1 TIP3 1311 23.483 66.945 -4.715 1.00 0.00 WT3 H ATOM 37602 H2 TIP3 1311 24.929 67.266 -4.403 1.00 0.00 WT3 H ATOM 37603 OH2 TIP3 1313 39.536 58.577 38.449 1.00 0.00 WT3 O ATOM 37604 H1 TIP3 1313 39.869 59.384 38.057 1.00 0.00 WT3 H ATOM 37605 H2 TIP3 1313 39.843 57.882 37.867 1.00 0.00 WT3 H ATOM 37606 OH2 TIP3 1317 44.898 83.777 42.497 1.00 0.00 WT3 O ATOM 37607 H1 TIP3 1317 45.556 84.000 43.156 1.00 0.00 WT3 H ATOM 37608 H2 TIP3 1317 45.298 84.026 41.664 1.00 0.00 WT3 H ATOM 37609 OH2 TIP3 1321 46.253 83.918 45.158 1.00 0.00 WT3 O ATOM 37610 H1 TIP3 1321 47.170 83.803 45.408 1.00 0.00 WT3 H ATOM 37611 H2 TIP3 1321 45.780 83.264 45.673 1.00 0.00 WT3 H ATOM 37612 OH2 TIP3 1322 43.690 20.267 -9.821 1.00 0.00 WT3 O ATOM 37613 H1 TIP3 1322 44.165 19.437 -9.774 1.00 0.00 WT3 H ATOM 37614 H2 TIP3 1322 42.859 20.045 -10.241 1.00 0.00 WT3 H ATOM 37615 OH2 TIP3 1326 86.744 70.147 -12.200 1.00 0.00 WT3 O ATOM 37616 H1 TIP3 1326 87.155 71.002 -12.075 1.00 0.00 WT3 H ATOM 37617 H2 TIP3 1326 86.567 69.834 -11.313 1.00 0.00 WT3 H ATOM 37618 OH2 TIP3 1327 63.614 13.632 19.187 1.00 0.00 WT3 O ATOM 37619 H1 TIP3 1327 63.057 13.501 19.954 1.00 0.00 WT3 H ATOM 37620 H2 TIP3 1327 63.673 12.767 18.783 1.00 0.00 WT3 H ATOM 37621 OH2 TIP3 1328 65.383 51.527 40.237 1.00 0.00 WT3 O ATOM 37622 H1 TIP3 1328 64.830 52.260 39.969 1.00 0.00 WT3 H ATOM 37623 H2 TIP3 1328 64.766 50.839 40.487 1.00 0.00 WT3 H ATOM 37624 OH2 TIP3 1329 64.919 51.860 53.312 1.00 0.00 WT3 O ATOM 37625 H1 TIP3 1329 63.991 51.643 53.227 1.00 0.00 WT3 H ATOM 37626 H2 TIP3 1329 65.090 52.467 52.592 1.00 0.00 WT3 H ATOM 37627 OH2 TIP3 1330 74.406 95.101 50.836 1.00 0.00 WT3 O ATOM 37628 H1 TIP3 1330 74.593 95.808 51.455 1.00 0.00 WT3 H ATOM 37629 H2 TIP3 1330 75.262 94.719 50.643 1.00 0.00 WT3 H ATOM 37630 OH2 TIP3 1331 52.027 90.036 19.340 1.00 0.00 WT3 O ATOM 37631 H1 TIP3 1331 52.347 89.154 19.531 1.00 0.00 WT3 H ATOM 37632 H2 TIP3 1331 51.093 90.003 19.548 1.00 0.00 WT3 H ATOM 37633 OH2 TIP3 1332 47.795 8.220 46.381 1.00 0.00 WT3 O ATOM 37634 H1 TIP3 1332 46.880 7.950 46.457 1.00 0.00 WT3 H ATOM 37635 H2 TIP3 1332 47.782 9.162 46.551 1.00 0.00 WT3 H ATOM 37636 OH2 TIP3 1333 31.965 60.535 8.887 1.00 0.00 WT3 O ATOM 37637 H1 TIP3 1333 32.753 60.952 8.538 1.00 0.00 WT3 H ATOM 37638 H2 TIP3 1333 32.266 60.064 9.663 1.00 0.00 WT3 H ATOM 37639 OH2 TIP3 1337 70.397 50.885 7.611 1.00 0.00 WT3 O ATOM 37640 H1 TIP3 1337 69.721 51.448 7.232 1.00 0.00 WT3 H ATOM 37641 H2 TIP3 1337 69.939 50.073 7.827 1.00 0.00 WT3 H ATOM 37642 OH2 TIP3 1339 44.758 45.235 53.024 1.00 0.00 WT3 O ATOM 37643 H1 TIP3 1339 45.289 45.556 52.295 1.00 0.00 WT3 H ATOM 37644 H2 TIP3 1339 44.689 45.982 53.618 1.00 0.00 WT3 H ATOM 37645 OH2 TIP3 1340 73.993 45.412 17.990 1.00 0.00 WT3 O ATOM 37646 H1 TIP3 1340 74.623 44.746 18.266 1.00 0.00 WT3 H ATOM 37647 H2 TIP3 1340 73.154 45.107 18.336 1.00 0.00 WT3 H ATOM 37648 OH2 TIP3 1341 76.795 59.281 -1.316 1.00 0.00 WT3 O ATOM 37649 H1 TIP3 1341 76.982 58.362 -1.124 1.00 0.00 WT3 H ATOM 37650 H2 TIP3 1341 76.865 59.346 -2.268 1.00 0.00 WT3 H ATOM 37651 OH2 TIP3 1342 62.063 31.641 35.864 1.00 0.00 WT3 O ATOM 37652 H1 TIP3 1342 62.198 32.533 35.544 1.00 0.00 WT3 H ATOM 37653 H2 TIP3 1342 62.117 31.095 35.080 1.00 0.00 WT3 H ATOM 37654 OH2 TIP3 1343 48.276 67.724 30.877 1.00 0.00 WT3 O ATOM 37655 H1 TIP3 1343 48.103 66.799 30.699 1.00 0.00 WT3 H ATOM 37656 H2 TIP3 1343 48.968 67.716 31.538 1.00 0.00 WT3 H ATOM 37657 OH2 TIP3 1344 89.206 91.363 3.186 1.00 0.00 WT3 O ATOM 37658 H1 TIP3 1344 88.376 91.803 3.002 1.00 0.00 WT3 H ATOM 37659 H2 TIP3 1344 89.359 91.517 4.118 1.00 0.00 WT3 H ATOM 37660 OH2 TIP3 1346 34.208 53.085 32.068 1.00 0.00 WT3 O ATOM 37661 H1 TIP3 1346 34.092 53.792 32.703 1.00 0.00 WT3 H ATOM 37662 H2 TIP3 1346 34.619 53.506 31.313 1.00 0.00 WT3 H ATOM 37663 OH2 TIP3 1347 62.739 16.652 -11.398 1.00 0.00 WT3 O ATOM 37664 H1 TIP3 1347 63.458 17.188 -11.734 1.00 0.00 WT3 H ATOM 37665 H2 TIP3 1347 62.303 16.317 -12.181 1.00 0.00 WT3 H ATOM 37666 OH2 TIP3 1348 21.254 88.271 60.310 1.00 0.00 WT3 O ATOM 37667 H1 TIP3 1348 20.414 88.006 59.935 1.00 0.00 WT3 H ATOM 37668 H2 TIP3 1348 21.180 88.054 61.240 1.00 0.00 WT3 H ATOM 37669 OH2 TIP3 1349 38.823 58.243 61.996 1.00 0.00 WT3 O ATOM 37670 H1 TIP3 1349 39.216 57.377 61.882 1.00 0.00 WT3 H ATOM 37671 H2 TIP3 1349 39.486 58.852 61.673 1.00 0.00 WT3 H ATOM 37672 OH2 TIP3 1351 36.222 61.680 58.873 1.00 0.00 WT3 O ATOM 37673 H1 TIP3 1351 36.346 61.120 58.107 1.00 0.00 WT3 H ATOM 37674 H2 TIP3 1351 37.002 62.235 58.893 1.00 0.00 WT3 H ATOM 37675 OH2 TIP3 1352 72.652 89.943 12.155 1.00 0.00 WT3 O ATOM 37676 H1 TIP3 1352 71.937 90.480 12.498 1.00 0.00 WT3 H ATOM 37677 H2 TIP3 1352 72.542 89.095 12.586 1.00 0.00 WT3 H ATOM 37678 OH2 TIP3 1354 81.498 9.152 -1.743 1.00 0.00 WT3 O ATOM 37679 H1 TIP3 1354 81.687 10.088 -1.671 1.00 0.00 WT3 H ATOM 37680 H2 TIP3 1354 82.256 8.789 -2.200 1.00 0.00 WT3 H ATOM 37681 OH2 TIP3 1355 33.491 27.940 1.229 1.00 0.00 WT3 O ATOM 37682 H1 TIP3 1355 33.023 27.745 0.418 1.00 0.00 WT3 H ATOM 37683 H2 TIP3 1355 33.756 27.083 1.565 1.00 0.00 WT3 H ATOM 37684 OH2 TIP3 1356 84.147 91.930 36.408 1.00 0.00 WT3 O ATOM 37685 H1 TIP3 1356 84.818 91.940 37.090 1.00 0.00 WT3 H ATOM 37686 H2 TIP3 1356 84.056 92.846 36.147 1.00 0.00 WT3 H ATOM 37687 OH2 TIP3 1357 75.253 81.183 21.430 1.00 0.00 WT3 O ATOM 37688 H1 TIP3 1357 75.989 81.571 21.904 1.00 0.00 WT3 H ATOM 37689 H2 TIP3 1357 75.424 80.241 21.451 1.00 0.00 WT3 H ATOM 37690 OH2 TIP3 1359 59.837 67.822 -0.614 1.00 0.00 WT3 O ATOM 37691 H1 TIP3 1359 59.542 68.631 -1.031 1.00 0.00 WT3 H ATOM 37692 H2 TIP3 1359 59.063 67.259 -0.609 1.00 0.00 WT3 H ATOM 37693 OH2 TIP3 1360 86.129 72.509 7.539 1.00 0.00 WT3 O ATOM 37694 H1 TIP3 1360 85.352 72.156 7.971 1.00 0.00 WT3 H ATOM 37695 H2 TIP3 1360 86.447 71.791 6.991 1.00 0.00 WT3 H ATOM 37696 OH2 TIP3 1361 46.786 92.503 58.127 1.00 0.00 WT3 O ATOM 37697 H1 TIP3 1361 46.740 91.771 57.512 1.00 0.00 WT3 H ATOM 37698 H2 TIP3 1361 45.939 92.497 58.572 1.00 0.00 WT3 H ATOM 37699 OH2 TIP3 1362 63.758 81.545 34.186 1.00 0.00 WT3 O ATOM 37700 H1 TIP3 1362 64.290 81.579 33.391 1.00 0.00 WT3 H ATOM 37701 H2 TIP3 1362 63.560 80.616 34.303 1.00 0.00 WT3 H ATOM 37702 OH2 TIP3 1363 61.444 59.462 36.312 1.00 0.00 WT3 O ATOM 37703 H1 TIP3 1363 60.781 59.155 35.694 1.00 0.00 WT3 H ATOM 37704 H2 TIP3 1363 62.276 59.322 35.860 1.00 0.00 WT3 H ATOM 37705 OH2 TIP3 1365 87.546 68.722 29.141 1.00 0.00 WT3 O ATOM 37706 H1 TIP3 1365 86.914 69.008 29.800 1.00 0.00 WT3 H ATOM 37707 H2 TIP3 1365 87.558 67.768 29.217 1.00 0.00 WT3 H ATOM 37708 OH2 TIP3 1367 29.163 20.391 27.685 1.00 0.00 WT3 O ATOM 37709 H1 TIP3 1367 28.760 19.879 28.386 1.00 0.00 WT3 H ATOM 37710 H2 TIP3 1367 30.100 20.369 27.880 1.00 0.00 WT3 H ATOM 37711 OH2 TIP3 1368 28.246 65.967 19.489 1.00 0.00 WT3 O ATOM 37712 H1 TIP3 1368 28.933 66.610 19.311 1.00 0.00 WT3 H ATOM 37713 H2 TIP3 1368 28.631 65.378 20.138 1.00 0.00 WT3 H ATOM 37714 OH2 TIP3 1369 56.373 79.391 25.349 1.00 0.00 WT3 O ATOM 37715 H1 TIP3 1369 56.125 79.206 26.255 1.00 0.00 WT3 H ATOM 37716 H2 TIP3 1369 56.017 78.657 24.848 1.00 0.00 WT3 H ATOM 37717 OH2 TIP3 1370 84.380 69.661 22.083 1.00 0.00 WT3 O ATOM 37718 H1 TIP3 1370 83.551 69.433 22.504 1.00 0.00 WT3 H ATOM 37719 H2 TIP3 1370 85.044 69.205 22.600 1.00 0.00 WT3 H ATOM 37720 OH2 TIP3 1371 42.427 28.138 53.657 1.00 0.00 WT3 O ATOM 37721 H1 TIP3 1371 42.767 28.618 54.413 1.00 0.00 WT3 H ATOM 37722 H2 TIP3 1371 42.445 27.220 53.929 1.00 0.00 WT3 H ATOM 37723 OH2 TIP3 1372 58.088 56.774 -9.227 1.00 0.00 WT3 O ATOM 37724 H1 TIP3 1372 58.980 56.429 -9.178 1.00 0.00 WT3 H ATOM 37725 H2 TIP3 1372 57.876 57.016 -8.325 1.00 0.00 WT3 H ATOM 37726 OH2 TIP3 1374 34.267 3.110 20.571 1.00 0.00 WT3 O ATOM 37727 H1 TIP3 1374 33.860 3.661 19.903 1.00 0.00 WT3 H ATOM 37728 H2 TIP3 1374 34.770 3.719 21.112 1.00 0.00 WT3 H ATOM 37729 OH2 TIP3 1375 35.560 60.755 -0.276 1.00 0.00 WT3 O ATOM 37730 H1 TIP3 1375 34.978 60.996 0.445 1.00 0.00 WT3 H ATOM 37731 H2 TIP3 1375 35.505 59.800 -0.319 1.00 0.00 WT3 H ATOM 37732 OH2 TIP3 1376 31.119 76.466 27.179 1.00 0.00 WT3 O ATOM 37733 H1 TIP3 1376 30.701 77.208 27.615 1.00 0.00 WT3 H ATOM 37734 H2 TIP3 1376 31.965 76.376 27.616 1.00 0.00 WT3 H ATOM 37735 OH2 TIP3 1378 34.381 96.068 -1.534 1.00 0.00 WT3 O ATOM 37736 H1 TIP3 1378 34.983 96.041 -0.791 1.00 0.00 WT3 H ATOM 37737 H2 TIP3 1378 33.510 96.028 -1.138 1.00 0.00 WT3 H ATOM 37738 OH2 TIP3 1379 66.295 87.202 3.749 1.00 0.00 WT3 O ATOM 37739 H1 TIP3 1379 66.635 87.856 4.359 1.00 0.00 WT3 H ATOM 37740 H2 TIP3 1379 66.433 86.365 4.192 1.00 0.00 WT3 H ATOM 37741 OH2 TIP3 1380 75.518 0.816 66.107 1.00 0.00 WT3 O ATOM 37742 H1 TIP3 1380 74.843 1.494 66.122 1.00 0.00 WT3 H ATOM 37743 H2 TIP3 1380 75.312 0.289 65.335 1.00 0.00 WT3 H ATOM 37744 OH2 TIP3 1381 75.454 2.679 0.689 1.00 0.00 WT3 O ATOM 37745 H1 TIP3 1381 76.116 2.283 1.255 1.00 0.00 WT3 H ATOM 37746 H2 TIP3 1381 75.393 2.087 -0.061 1.00 0.00 WT3 H ATOM 37747 OH2 TIP3 1382 31.641 62.222 49.496 1.00 0.00 WT3 O ATOM 37748 H1 TIP3 1382 32.576 62.018 49.468 1.00 0.00 WT3 H ATOM 37749 H2 TIP3 1382 31.271 61.751 48.749 1.00 0.00 WT3 H ATOM 37750 OH2 TIP3 1383 60.287 64.170 29.445 1.00 0.00 WT3 O ATOM 37751 H1 TIP3 1383 59.658 64.720 28.977 1.00 0.00 WT3 H ATOM 37752 H2 TIP3 1383 59.761 63.451 29.797 1.00 0.00 WT3 H ATOM 37753 OH2 TIP3 1387 24.563 30.124 53.822 1.00 0.00 WT3 O ATOM 37754 H1 TIP3 1387 24.746 29.899 52.910 1.00 0.00 WT3 H ATOM 37755 H2 TIP3 1387 24.670 31.074 53.861 1.00 0.00 WT3 H ATOM 37756 OH2 TIP3 1388 36.534 94.265 -12.224 1.00 0.00 WT3 O ATOM 37757 H1 TIP3 1388 36.912 95.129 -12.388 1.00 0.00 WT3 H ATOM 37758 H2 TIP3 1388 37.131 93.858 -11.596 1.00 0.00 WT3 H ATOM 37759 OH2 TIP3 1389 49.217 87.640 0.989 1.00 0.00 WT3 O ATOM 37760 H1 TIP3 1389 48.860 88.230 1.653 1.00 0.00 WT3 H ATOM 37761 H2 TIP3 1389 50.166 87.703 1.098 1.00 0.00 WT3 H ATOM 37762 OH2 TIP3 1390 27.299 58.670 11.600 1.00 0.00 WT3 O ATOM 37763 H1 TIP3 1390 26.342 58.672 11.574 1.00 0.00 WT3 H ATOM 37764 H2 TIP3 1390 27.525 59.400 12.178 1.00 0.00 WT3 H ATOM 37765 OH2 TIP3 1392 77.900 57.283 3.812 1.00 0.00 WT3 O ATOM 37766 H1 TIP3 1392 77.707 56.553 4.400 1.00 0.00 WT3 H ATOM 37767 H2 TIP3 1392 77.809 58.063 4.361 1.00 0.00 WT3 H ATOM 37768 OH2 TIP3 1393 89.545 46.088 -11.310 1.00 0.00 WT3 O ATOM 37769 H1 TIP3 1393 89.853 45.513 -10.610 1.00 0.00 WT3 H ATOM 37770 H2 TIP3 1393 89.493 45.523 -12.080 1.00 0.00 WT3 H ATOM 37771 OH2 TIP3 1394 57.202 18.655 5.017 1.00 0.00 WT3 O ATOM 37772 H1 TIP3 1394 58.092 18.998 5.098 1.00 0.00 WT3 H ATOM 37773 H2 TIP3 1394 57.296 17.870 4.477 1.00 0.00 WT3 H ATOM 37774 OH2 TIP3 1395 35.099 58.532 15.451 1.00 0.00 WT3 O ATOM 37775 H1 TIP3 1395 35.292 58.198 14.574 1.00 0.00 WT3 H ATOM 37776 H2 TIP3 1395 35.836 59.106 15.657 1.00 0.00 WT3 H ATOM 37777 OH2 TIP3 1396 33.571 71.164 34.449 1.00 0.00 WT3 O ATOM 37778 H1 TIP3 1396 33.666 70.963 33.518 1.00 0.00 WT3 H ATOM 37779 H2 TIP3 1396 34.252 71.813 34.625 1.00 0.00 WT3 H ATOM 37780 OH2 TIP3 1397 60.879 65.816 -6.456 1.00 0.00 WT3 O ATOM 37781 H1 TIP3 1397 60.017 65.786 -6.872 1.00 0.00 WT3 H ATOM 37782 H2 TIP3 1397 61.102 64.899 -6.299 1.00 0.00 WT3 H ATOM 37783 OH2 TIP3 1398 49.177 67.304 51.601 1.00 0.00 WT3 O ATOM 37784 H1 TIP3 1398 48.500 67.736 52.121 1.00 0.00 WT3 H ATOM 37785 H2 TIP3 1398 48.913 67.453 50.693 1.00 0.00 WT3 H ATOM 37786 OH2 TIP3 1399 80.442 73.675 -15.762 1.00 0.00 WT3 O ATOM 37787 H1 TIP3 1399 80.328 73.861 -16.694 1.00 0.00 WT3 H ATOM 37788 H2 TIP3 1399 81.188 74.214 -15.499 1.00 0.00 WT3 H ATOM 37789 OH2 TIP3 1400 34.931 14.585 8.197 1.00 0.00 WT3 O ATOM 37790 H1 TIP3 1400 34.657 15.456 7.911 1.00 0.00 WT3 H ATOM 37791 H2 TIP3 1400 35.455 14.247 7.470 1.00 0.00 WT3 H ATOM 37792 OH2 TIP3 1401 90.669 1.707 11.295 1.00 0.00 WT3 O ATOM 37793 H1 TIP3 1401 90.844 1.248 12.116 1.00 0.00 WT3 H ATOM 37794 H2 TIP3 1401 89.867 1.303 10.961 1.00 0.00 WT3 H ATOM 37795 OH2 TIP3 1402 30.276 85.315 -14.635 1.00 0.00 WT3 O ATOM 37796 H1 TIP3 1402 31.151 85.271 -15.021 1.00 0.00 WT3 H ATOM 37797 H2 TIP3 1402 29.861 86.063 -15.065 1.00 0.00 WT3 H ATOM 37798 OH2 TIP3 1403 65.457 64.711 -18.807 1.00 0.00 WT3 O ATOM 37799 H1 TIP3 1403 64.836 64.359 -19.444 1.00 0.00 WT3 H ATOM 37800 H2 TIP3 1403 65.658 63.972 -18.233 1.00 0.00 WT3 H ATOM 37801 OH2 TIP3 1404 24.988 94.836 56.530 1.00 0.00 WT3 O ATOM 37802 H1 TIP3 1404 25.428 95.172 55.750 1.00 0.00 WT3 H ATOM 37803 H2 TIP3 1404 25.045 93.884 56.447 1.00 0.00 WT3 H ATOM 37804 OH2 TIP3 1407 84.393 46.009 -1.742 1.00 0.00 WT3 O ATOM 37805 H1 TIP3 1407 83.708 45.344 -1.666 1.00 0.00 WT3 H ATOM 37806 H2 TIP3 1407 83.916 46.830 -1.862 1.00 0.00 WT3 H ATOM 37807 OH2 TIP3 1408 36.489 21.717 0.584 1.00 0.00 WT3 O ATOM 37808 H1 TIP3 1408 37.194 22.266 0.927 1.00 0.00 WT3 H ATOM 37809 H2 TIP3 1408 35.774 21.823 1.212 1.00 0.00 WT3 H ATOM 37810 OH2 TIP3 1409 69.259 69.217 48.459 1.00 0.00 WT3 O ATOM 37811 H1 TIP3 1409 68.491 68.656 48.565 1.00 0.00 WT3 H ATOM 37812 H2 TIP3 1409 69.353 69.319 47.511 1.00 0.00 WT3 H ATOM 37813 OH2 TIP3 1411 54.512 85.389 -3.286 1.00 0.00 WT3 O ATOM 37814 H1 TIP3 1411 54.089 84.798 -2.664 1.00 0.00 WT3 H ATOM 37815 H2 TIP3 1411 53.933 85.387 -4.049 1.00 0.00 WT3 H ATOM 37816 OH2 TIP3 1412 33.275 41.422 2.750 1.00 0.00 WT3 O ATOM 37817 H1 TIP3 1412 33.836 41.300 3.516 1.00 0.00 WT3 H ATOM 37818 H2 TIP3 1412 33.445 40.655 2.203 1.00 0.00 WT3 H ATOM 37819 OH2 TIP3 1413 22.348 75.598 61.954 1.00 0.00 WT3 O ATOM 37820 H1 TIP3 1413 23.248 75.583 61.629 1.00 0.00 WT3 H ATOM 37821 H2 TIP3 1413 22.385 76.146 62.738 1.00 0.00 WT3 H ATOM 37822 OH2 TIP3 1414 32.518 78.242 43.749 1.00 0.00 WT3 O ATOM 37823 H1 TIP3 1414 32.786 77.623 43.070 1.00 0.00 WT3 H ATOM 37824 H2 TIP3 1414 31.921 77.742 44.307 1.00 0.00 WT3 H ATOM 37825 OH2 TIP3 1415 81.984 29.640 27.881 1.00 0.00 WT3 O ATOM 37826 H1 TIP3 1415 81.171 29.425 28.339 1.00 0.00 WT3 H ATOM 37827 H2 TIP3 1415 82.675 29.436 28.511 1.00 0.00 WT3 H ATOM 37828 OH2 TIP3 1416 48.407 88.831 50.106 1.00 0.00 WT3 O ATOM 37829 H1 TIP3 1416 48.712 88.150 49.507 1.00 0.00 WT3 H ATOM 37830 H2 TIP3 1416 47.524 88.555 50.354 1.00 0.00 WT3 H ATOM 37831 OH2 TIP3 1417 29.057 4.046 43.391 1.00 0.00 WT3 O ATOM 37832 H1 TIP3 1417 28.358 4.576 43.007 1.00 0.00 WT3 H ATOM 37833 H2 TIP3 1417 29.590 3.774 42.644 1.00 0.00 WT3 H ATOM 37834 OH2 TIP3 1418 51.012 52.697 36.391 1.00 0.00 WT3 O ATOM 37835 H1 TIP3 1418 51.461 53.102 37.133 1.00 0.00 WT3 H ATOM 37836 H2 TIP3 1418 50.953 53.393 35.737 1.00 0.00 WT3 H ATOM 37837 OH2 TIP3 1419 85.137 36.781 44.243 1.00 0.00 WT3 O ATOM 37838 H1 TIP3 1419 85.459 36.005 43.787 1.00 0.00 WT3 H ATOM 37839 H2 TIP3 1419 85.797 36.958 44.913 1.00 0.00 WT3 H ATOM 37840 OH2 TIP3 1420 87.499 94.696 5.738 1.00 0.00 WT3 O ATOM 37841 H1 TIP3 1420 86.691 95.208 5.724 1.00 0.00 WT3 H ATOM 37842 H2 TIP3 1420 87.713 94.612 6.668 1.00 0.00 WT3 H ATOM 37843 OH2 TIP3 1421 58.807 72.711 30.673 1.00 0.00 WT3 O ATOM 37844 H1 TIP3 1421 58.628 71.773 30.607 1.00 0.00 WT3 H ATOM 37845 H2 TIP3 1421 58.048 73.129 30.268 1.00 0.00 WT3 H ATOM 37846 OH2 TIP3 1422 59.934 94.358 4.040 1.00 0.00 WT3 O ATOM 37847 H1 TIP3 1422 60.579 94.619 3.382 1.00 0.00 WT3 H ATOM 37848 H2 TIP3 1422 60.451 94.178 4.825 1.00 0.00 WT3 H ATOM 37849 OH2 TIP3 1423 22.547 21.198 8.685 1.00 0.00 WT3 O ATOM 37850 H1 TIP3 1423 22.936 21.762 9.353 1.00 0.00 WT3 H ATOM 37851 H2 TIP3 1423 23.274 20.656 8.376 1.00 0.00 WT3 H ATOM 37852 OH2 TIP3 1424 36.265 85.662 43.547 1.00 0.00 WT3 O ATOM 37853 H1 TIP3 1424 36.270 85.921 42.625 1.00 0.00 WT3 H ATOM 37854 H2 TIP3 1424 36.017 84.737 43.535 1.00 0.00 WT3 H ATOM 37855 OH2 TIP3 1426 37.073 70.733 64.214 1.00 0.00 WT3 O ATOM 37856 H1 TIP3 1426 36.387 71.111 64.764 1.00 0.00 WT3 H ATOM 37857 H2 TIP3 1426 36.883 71.058 63.334 1.00 0.00 WT3 H ATOM 37858 OH2 TIP3 1428 55.364 32.459 -14.966 1.00 0.00 WT3 O ATOM 37859 H1 TIP3 1428 54.721 33.111 -15.246 1.00 0.00 WT3 H ATOM 37860 H2 TIP3 1428 54.882 31.632 -14.965 1.00 0.00 WT3 H ATOM 37861 OH2 TIP3 1429 86.147 74.434 67.429 1.00 0.00 WT3 O ATOM 37862 H1 TIP3 1429 85.342 74.081 67.051 1.00 0.00 WT3 H ATOM 37863 H2 TIP3 1429 86.368 75.181 66.872 1.00 0.00 WT3 H ATOM 37864 OH2 TIP3 1430 66.077 75.655 46.775 1.00 0.00 WT3 O ATOM 37865 H1 TIP3 1430 66.310 74.801 47.140 1.00 0.00 WT3 H ATOM 37866 H2 TIP3 1430 66.587 75.718 45.967 1.00 0.00 WT3 H ATOM 37867 OH2 TIP3 1431 44.197 76.719 23.096 1.00 0.00 WT3 O ATOM 37868 H1 TIP3 1431 43.974 75.896 22.660 1.00 0.00 WT3 H ATOM 37869 H2 TIP3 1431 44.847 76.474 23.754 1.00 0.00 WT3 H ATOM 37870 OH2 TIP3 1433 75.040 82.115 13.204 1.00 0.00 WT3 O ATOM 37871 H1 TIP3 1433 75.581 82.066 12.416 1.00 0.00 WT3 H ATOM 37872 H2 TIP3 1433 74.158 81.895 12.903 1.00 0.00 WT3 H ATOM 37873 OH2 TIP3 1434 86.554 69.969 26.869 1.00 0.00 WT3 O ATOM 37874 H1 TIP3 1434 86.625 69.062 26.571 1.00 0.00 WT3 H ATOM 37875 H2 TIP3 1434 86.765 69.932 27.802 1.00 0.00 WT3 H ATOM 37876 OH2 TIP3 1435 62.659 5.311 32.303 1.00 0.00 WT3 O ATOM 37877 H1 TIP3 1435 61.833 5.458 32.766 1.00 0.00 WT3 H ATOM 37878 H2 TIP3 1435 62.756 6.076 31.736 1.00 0.00 WT3 H ATOM 37879 OH2 TIP3 1436 50.315 83.201 23.975 1.00 0.00 WT3 O ATOM 37880 H1 TIP3 1436 50.225 82.523 24.645 1.00 0.00 WT3 H ATOM 37881 H2 TIP3 1436 49.518 83.725 24.055 1.00 0.00 WT3 H ATOM 37882 OH2 TIP3 1437 77.914 76.761 24.113 1.00 0.00 WT3 O ATOM 37883 H1 TIP3 1437 78.517 76.097 24.447 1.00 0.00 WT3 H ATOM 37884 H2 TIP3 1437 77.348 76.967 24.857 1.00 0.00 WT3 H ATOM 37885 OH2 TIP3 1438 36.037 73.835 1.355 1.00 0.00 WT3 O ATOM 37886 H1 TIP3 1438 35.744 74.729 1.530 1.00 0.00 WT3 H ATOM 37887 H2 TIP3 1438 36.153 73.446 2.222 1.00 0.00 WT3 H ATOM 37888 OH2 TIP3 1439 66.319 52.295 -7.340 1.00 0.00 WT3 O ATOM 37889 H1 TIP3 1439 66.228 53.232 -7.513 1.00 0.00 WT3 H ATOM 37890 H2 TIP3 1439 66.551 52.243 -6.413 1.00 0.00 WT3 H ATOM 37891 OH2 TIP3 1440 83.665 26.175 -13.304 1.00 0.00 WT3 O ATOM 37892 H1 TIP3 1440 83.864 25.307 -13.655 1.00 0.00 WT3 H ATOM 37893 H2 TIP3 1440 82.979 26.514 -13.879 1.00 0.00 WT3 H ATOM 37894 OH2 TIP3 1441 35.194 88.762 -5.764 1.00 0.00 WT3 O ATOM 37895 H1 TIP3 1441 36.126 88.710 -5.554 1.00 0.00 WT3 H ATOM 37896 H2 TIP3 1441 35.054 88.069 -6.409 1.00 0.00 WT3 H ATOM 37897 OH2 TIP3 1442 37.458 65.300 37.487 1.00 0.00 WT3 O ATOM 37898 H1 TIP3 1442 37.758 65.537 36.609 1.00 0.00 WT3 H ATOM 37899 H2 TIP3 1442 38.110 65.680 38.074 1.00 0.00 WT3 H ATOM 37900 OH2 TIP3 1444 58.210 76.397 38.859 1.00 0.00 WT3 O ATOM 37901 H1 TIP3 1444 57.567 76.216 39.545 1.00 0.00 WT3 H ATOM 37902 H2 TIP3 1444 57.820 76.036 38.063 1.00 0.00 WT3 H ATOM 37903 OH2 TIP3 1445 47.092 42.004 40.259 1.00 0.00 WT3 O ATOM 37904 H1 TIP3 1445 46.279 41.789 40.716 1.00 0.00 WT3 H ATOM 37905 H2 TIP3 1445 46.865 41.958 39.330 1.00 0.00 WT3 H ATOM 37906 OH2 TIP3 1446 45.951 48.226 58.910 1.00 0.00 WT3 O ATOM 37907 H1 TIP3 1446 45.595 48.759 59.621 1.00 0.00 WT3 H ATOM 37908 H2 TIP3 1446 45.507 48.547 58.125 1.00 0.00 WT3 H ATOM 37909 OH2 TIP3 1448 44.882 81.164 11.271 1.00 0.00 WT3 O ATOM 37910 H1 TIP3 1448 44.843 81.762 12.018 1.00 0.00 WT3 H ATOM 37911 H2 TIP3 1448 45.542 80.516 11.517 1.00 0.00 WT3 H ATOM 37912 OH2 TIP3 1449 84.524 80.633 27.142 1.00 0.00 WT3 O ATOM 37913 H1 TIP3 1449 85.462 80.750 27.289 1.00 0.00 WT3 H ATOM 37914 H2 TIP3 1449 84.288 79.882 27.687 1.00 0.00 WT3 H ATOM 37915 OH2 TIP3 1450 70.028 20.709 57.658 1.00 0.00 WT3 O ATOM 37916 H1 TIP3 1450 70.365 20.495 58.528 1.00 0.00 WT3 H ATOM 37917 H2 TIP3 1450 69.506 21.501 57.792 1.00 0.00 WT3 H ATOM 37918 OH2 TIP3 1451 28.797 1.962 -16.728 1.00 0.00 WT3 O ATOM 37919 H1 TIP3 1451 28.228 1.193 -16.720 1.00 0.00 WT3 H ATOM 37920 H2 TIP3 1451 28.340 2.593 -17.286 1.00 0.00 WT3 H ATOM 37921 OH2 TIP3 1453 71.802 60.791 2.402 1.00 0.00 WT3 O ATOM 37922 H1 TIP3 1453 72.098 61.670 2.637 1.00 0.00 WT3 H ATOM 37923 H2 TIP3 1453 71.550 60.392 3.235 1.00 0.00 WT3 H ATOM 37924 OH2 TIP3 1454 87.305 31.688 17.514 1.00 0.00 WT3 O ATOM 37925 H1 TIP3 1454 87.931 31.053 17.862 1.00 0.00 WT3 H ATOM 37926 H2 TIP3 1454 87.199 31.440 16.595 1.00 0.00 WT3 H ATOM 37927 OH2 TIP3 1455 89.717 39.679 5.401 1.00 0.00 WT3 O ATOM 37928 H1 TIP3 1455 89.816 40.303 6.120 1.00 0.00 WT3 H ATOM 37929 H2 TIP3 1455 90.614 39.479 5.133 1.00 0.00 WT3 H ATOM 37930 OH2 TIP3 1456 89.346 85.137 50.128 1.00 0.00 WT3 O ATOM 37931 H1 TIP3 1456 90.047 85.746 49.893 1.00 0.00 WT3 H ATOM 37932 H2 TIP3 1456 88.571 85.689 50.226 1.00 0.00 WT3 H ATOM 37933 OH2 TIP3 1457 79.862 36.613 7.341 1.00 0.00 WT3 O ATOM 37934 H1 TIP3 1457 78.925 36.517 7.172 1.00 0.00 WT3 H ATOM 37935 H2 TIP3 1457 79.920 36.771 8.284 1.00 0.00 WT3 H ATOM 37936 OH2 TIP3 1458 69.078 81.777 59.425 1.00 0.00 WT3 O ATOM 37937 H1 TIP3 1458 69.141 82.645 59.823 1.00 0.00 WT3 H ATOM 37938 H2 TIP3 1458 69.851 81.310 59.743 1.00 0.00 WT3 H ATOM 37939 OH2 TIP3 1459 30.636 20.450 66.623 1.00 0.00 WT3 O ATOM 37940 H1 TIP3 1459 30.718 20.673 67.551 1.00 0.00 WT3 H ATOM 37941 H2 TIP3 1459 30.206 21.210 66.231 1.00 0.00 WT3 H ATOM 37942 OH2 TIP3 1460 39.363 4.561 17.685 1.00 0.00 WT3 O ATOM 37943 H1 TIP3 1460 39.233 4.303 16.772 1.00 0.00 WT3 H ATOM 37944 H2 TIP3 1460 38.494 4.497 18.079 1.00 0.00 WT3 H ATOM 37945 OH2 TIP3 1461 28.173 80.668 -17.161 1.00 0.00 WT3 O ATOM 37946 H1 TIP3 1461 28.663 80.934 -16.383 1.00 0.00 WT3 H ATOM 37947 H2 TIP3 1461 28.651 81.060 -17.892 1.00 0.00 WT3 H ATOM 37948 OH2 TIP3 1462 89.416 84.722 34.952 1.00 0.00 WT3 O ATOM 37949 H1 TIP3 1462 89.761 83.999 34.428 1.00 0.00 WT3 H ATOM 37950 H2 TIP3 1462 89.614 85.506 34.440 1.00 0.00 WT3 H ATOM 37951 OH2 TIP3 1463 57.679 75.905 28.439 1.00 0.00 WT3 O ATOM 37952 H1 TIP3 1463 57.417 75.304 29.136 1.00 0.00 WT3 H ATOM 37953 H2 TIP3 1463 57.492 75.430 27.629 1.00 0.00 WT3 H ATOM 37954 OH2 TIP3 1464 66.207 8.595 19.381 1.00 0.00 WT3 O ATOM 37955 H1 TIP3 1464 66.544 9.051 20.153 1.00 0.00 WT3 H ATOM 37956 H2 TIP3 1464 66.093 7.689 19.669 1.00 0.00 WT3 H ATOM 37957 OH2 TIP3 1465 26.682 94.041 -13.749 1.00 0.00 WT3 O ATOM 37958 H1 TIP3 1465 26.723 93.915 -12.801 1.00 0.00 WT3 H ATOM 37959 H2 TIP3 1465 26.785 93.161 -14.112 1.00 0.00 WT3 H ATOM 37960 OH2 TIP3 1467 67.526 17.164 46.667 1.00 0.00 WT3 O ATOM 37961 H1 TIP3 1467 66.706 17.307 46.194 1.00 0.00 WT3 H ATOM 37962 H2 TIP3 1467 67.299 17.300 47.587 1.00 0.00 WT3 H ATOM 37963 OH2 TIP3 1468 27.140 11.211 -11.197 1.00 0.00 WT3 O ATOM 37964 H1 TIP3 1468 27.924 11.759 -11.209 1.00 0.00 WT3 H ATOM 37965 H2 TIP3 1468 26.538 11.639 -11.806 1.00 0.00 WT3 H ATOM 37966 OH2 TIP3 1470 24.850 56.105 47.544 1.00 0.00 WT3 O ATOM 37967 H1 TIP3 1470 25.667 55.993 47.058 1.00 0.00 WT3 H ATOM 37968 H2 TIP3 1470 25.122 56.464 48.389 1.00 0.00 WT3 H ATOM 37969 OH2 TIP3 1471 30.689 88.269 3.323 1.00 0.00 WT3 O ATOM 37970 H1 TIP3 1471 30.150 87.694 2.780 1.00 0.00 WT3 H ATOM 37971 H2 TIP3 1471 31.382 87.700 3.660 1.00 0.00 WT3 H ATOM 37972 OH2 TIP3 1474 64.747 16.686 9.152 1.00 0.00 WT3 O ATOM 37973 H1 TIP3 1474 64.629 15.740 9.063 1.00 0.00 WT3 H ATOM 37974 H2 TIP3 1474 64.106 16.946 9.813 1.00 0.00 WT3 H ATOM 37975 OH2 TIP3 1475 74.728 94.165 -1.414 1.00 0.00 WT3 O ATOM 37976 H1 TIP3 1475 75.005 95.079 -1.353 1.00 0.00 WT3 H ATOM 37977 H2 TIP3 1475 74.372 93.963 -0.549 1.00 0.00 WT3 H ATOM 37978 OH2 TIP3 1476 26.135 26.529 11.288 1.00 0.00 WT3 O ATOM 37979 H1 TIP3 1476 25.978 26.731 12.210 1.00 0.00 WT3 H ATOM 37980 H2 TIP3 1476 26.787 25.827 11.304 1.00 0.00 WT3 H ATOM 37981 OH2 TIP3 1478 25.724 96.364 51.326 1.00 0.00 WT3 O ATOM 37982 H1 TIP3 1478 25.096 95.642 51.363 1.00 0.00 WT3 H ATOM 37983 H2 TIP3 1478 26.506 96.025 51.762 1.00 0.00 WT3 H ATOM 37984 OH2 TIP3 1479 56.394 61.568 -11.312 1.00 0.00 WT3 O ATOM 37985 H1 TIP3 1479 56.712 61.232 -10.474 1.00 0.00 WT3 H ATOM 37986 H2 TIP3 1479 55.454 61.688 -11.182 1.00 0.00 WT3 H ATOM 37987 OH2 TIP3 1480 33.572 30.456 22.436 1.00 0.00 WT3 O ATOM 37988 H1 TIP3 1480 33.547 29.632 22.923 1.00 0.00 WT3 H ATOM 37989 H2 TIP3 1480 34.232 30.314 21.757 1.00 0.00 WT3 H ATOM 37990 OH2 TIP3 1481 34.218 72.361 38.017 1.00 0.00 WT3 O ATOM 37991 H1 TIP3 1481 35.147 72.148 38.107 1.00 0.00 WT3 H ATOM 37992 H2 TIP3 1481 34.015 72.172 37.101 1.00 0.00 WT3 H ATOM 37993 OH2 TIP3 1482 25.547 88.439 7.028 1.00 0.00 WT3 O ATOM 37994 H1 TIP3 1482 26.038 89.257 6.953 1.00 0.00 WT3 H ATOM 37995 H2 TIP3 1482 25.388 88.340 7.967 1.00 0.00 WT3 H ATOM 37996 OH2 TIP3 1484 57.777 73.852 43.726 1.00 0.00 WT3 O ATOM 37997 H1 TIP3 1484 57.474 74.677 43.346 1.00 0.00 WT3 H ATOM 37998 H2 TIP3 1484 57.280 73.766 44.539 1.00 0.00 WT3 H ATOM 37999 OH2 TIP3 1486 67.680 46.398 53.091 1.00 0.00 WT3 O ATOM 38000 H1 TIP3 1486 67.920 47.320 53.005 1.00 0.00 WT3 H ATOM 38001 H2 TIP3 1486 67.071 46.376 53.829 1.00 0.00 WT3 H ATOM 38002 OH2 TIP3 1487 86.642 86.130 63.047 1.00 0.00 WT3 O ATOM 38003 H1 TIP3 1487 86.262 85.254 62.991 1.00 0.00 WT3 H ATOM 38004 H2 TIP3 1487 86.793 86.267 63.982 1.00 0.00 WT3 H ATOM 38005 OH2 TIP3 1489 23.593 62.580 54.281 1.00 0.00 WT3 O ATOM 38006 H1 TIP3 1489 24.428 62.269 53.930 1.00 0.00 WT3 H ATOM 38007 H2 TIP3 1489 23.798 63.429 54.672 1.00 0.00 WT3 H ATOM 38008 OH2 TIP3 1491 57.605 35.912 -1.645 1.00 0.00 WT3 O ATOM 38009 H1 TIP3 1491 57.874 35.677 -0.756 1.00 0.00 WT3 H ATOM 38010 H2 TIP3 1491 56.677 36.133 -1.564 1.00 0.00 WT3 H ATOM 38011 OH2 TIP3 1493 42.274 2.079 27.456 1.00 0.00 WT3 O ATOM 38012 H1 TIP3 1493 41.559 2.406 28.001 1.00 0.00 WT3 H ATOM 38013 H2 TIP3 1493 42.056 2.373 26.572 1.00 0.00 WT3 H ATOM 38014 OH2 TIP3 1494 64.903 18.812 58.347 1.00 0.00 WT3 O ATOM 38015 H1 TIP3 1494 64.475 18.266 57.688 1.00 0.00 WT3 H ATOM 38016 H2 TIP3 1494 64.341 18.742 59.119 1.00 0.00 WT3 H ATOM 38017 OH2 TIP3 1495 73.714 72.670 54.595 1.00 0.00 WT3 O ATOM 38018 H1 TIP3 1495 72.963 72.123 54.824 1.00 0.00 WT3 H ATOM 38019 H2 TIP3 1495 74.000 72.339 53.743 1.00 0.00 WT3 H ATOM 38020 OH2 TIP3 1496 84.855 33.373 6.579 1.00 0.00 WT3 O ATOM 38021 H1 TIP3 1496 84.063 33.899 6.693 1.00 0.00 WT3 H ATOM 38022 H2 TIP3 1496 85.434 33.923 6.051 1.00 0.00 WT3 H ATOM 38023 OH2 TIP3 1497 89.706 23.999 54.343 1.00 0.00 WT3 O ATOM 38024 H1 TIP3 1497 89.155 23.849 55.111 1.00 0.00 WT3 H ATOM 38025 H2 TIP3 1497 90.383 23.325 54.398 1.00 0.00 WT3 H ATOM 38026 OH2 TIP3 1499 40.552 60.433 15.200 1.00 0.00 WT3 O ATOM 38027 H1 TIP3 1499 41.129 61.130 15.512 1.00 0.00 WT3 H ATOM 38028 H2 TIP3 1499 40.352 59.919 15.982 1.00 0.00 WT3 H ATOM 38029 OH2 TIP3 1501 85.708 64.116 41.598 1.00 0.00 WT3 O ATOM 38030 H1 TIP3 1501 86.603 64.448 41.523 1.00 0.00 WT3 H ATOM 38031 H2 TIP3 1501 85.782 63.355 42.174 1.00 0.00 WT3 H ATOM 38032 OH2 TIP3 1502 36.744 7.374 13.206 1.00 0.00 WT3 O ATOM 38033 H1 TIP3 1502 36.592 7.292 14.148 1.00 0.00 WT3 H ATOM 38034 H2 TIP3 1502 36.988 6.492 12.925 1.00 0.00 WT3 H ATOM 38035 OH2 TIP3 1503 86.627 50.303 60.986 1.00 0.00 WT3 O ATOM 38036 H1 TIP3 1503 86.606 49.989 60.082 1.00 0.00 WT3 H ATOM 38037 H2 TIP3 1503 87.527 50.147 61.273 1.00 0.00 WT3 H ATOM 38038 OH2 TIP3 1504 27.120 2.555 13.941 1.00 0.00 WT3 O ATOM 38039 H1 TIP3 1504 27.909 3.026 14.210 1.00 0.00 WT3 H ATOM 38040 H2 TIP3 1504 26.473 3.242 13.780 1.00 0.00 WT3 H ATOM 38041 OH2 TIP3 1505 66.867 21.127 5.962 1.00 0.00 WT3 O ATOM 38042 H1 TIP3 1505 66.614 20.634 6.743 1.00 0.00 WT3 H ATOM 38043 H2 TIP3 1505 67.130 20.458 5.330 1.00 0.00 WT3 H ATOM 38044 OH2 TIP3 1509 47.594 22.772 43.204 1.00 0.00 WT3 O ATOM 38045 H1 TIP3 1509 48.150 23.322 43.755 1.00 0.00 WT3 H ATOM 38046 H2 TIP3 1509 47.021 22.316 43.821 1.00 0.00 WT3 H ATOM 38047 OH2 TIP3 1510 49.435 84.346 33.872 1.00 0.00 WT3 O ATOM 38048 H1 TIP3 1510 50.388 84.270 33.898 1.00 0.00 WT3 H ATOM 38049 H2 TIP3 1510 49.123 83.442 33.813 1.00 0.00 WT3 H ATOM 38050 OH2 TIP3 1511 68.878 83.398 -18.732 1.00 0.00 WT3 O ATOM 38051 H1 TIP3 1511 68.242 83.546 -19.432 1.00 0.00 WT3 H ATOM 38052 H2 TIP3 1511 68.469 82.739 -18.171 1.00 0.00 WT3 H ATOM 38053 OH2 TIP3 1512 77.529 40.899 -0.687 1.00 0.00 WT3 O ATOM 38054 H1 TIP3 1512 76.661 40.689 -1.031 1.00 0.00 WT3 H ATOM 38055 H2 TIP3 1512 78.136 40.436 -1.265 1.00 0.00 WT3 H ATOM 38056 OH2 TIP3 1513 77.180 68.255 54.488 1.00 0.00 WT3 O ATOM 38057 H1 TIP3 1513 77.600 68.605 53.703 1.00 0.00 WT3 H ATOM 38058 H2 TIP3 1513 77.373 67.317 54.467 1.00 0.00 WT3 H ATOM 38059 OH2 TIP3 1515 64.929 75.816 25.155 1.00 0.00 WT3 O ATOM 38060 H1 TIP3 1515 64.285 75.176 24.850 1.00 0.00 WT3 H ATOM 38061 H2 TIP3 1515 64.814 75.839 26.105 1.00 0.00 WT3 H ATOM 38062 OH2 TIP3 1516 23.488 66.779 40.810 1.00 0.00 WT3 O ATOM 38063 H1 TIP3 1516 24.105 66.594 41.519 1.00 0.00 WT3 H ATOM 38064 H2 TIP3 1516 24.009 66.700 40.011 1.00 0.00 WT3 H ATOM 38065 OH2 TIP3 1517 83.096 75.374 43.630 1.00 0.00 WT3 O ATOM 38066 H1 TIP3 1517 83.120 75.360 44.587 1.00 0.00 WT3 H ATOM 38067 H2 TIP3 1517 84.013 75.455 43.368 1.00 0.00 WT3 H ATOM 38068 OH2 TIP3 1518 90.379 18.025 47.723 1.00 0.00 WT3 O ATOM 38069 H1 TIP3 1518 90.629 17.108 47.833 1.00 0.00 WT3 H ATOM 38070 H2 TIP3 1518 89.632 18.001 47.125 1.00 0.00 WT3 H ATOM 38071 OH2 TIP3 1519 45.603 26.424 40.597 1.00 0.00 WT3 O ATOM 38072 H1 TIP3 1519 45.615 25.493 40.818 1.00 0.00 WT3 H ATOM 38073 H2 TIP3 1519 45.697 26.871 41.438 1.00 0.00 WT3 H ATOM 38074 OH2 TIP3 1520 49.335 88.470 28.772 1.00 0.00 WT3 O ATOM 38075 H1 TIP3 1520 48.558 88.337 29.315 1.00 0.00 WT3 H ATOM 38076 H2 TIP3 1520 49.325 87.738 28.156 1.00 0.00 WT3 H ATOM 38077 OH2 TIP3 1522 39.531 29.331 38.933 1.00 0.00 WT3 O ATOM 38078 H1 TIP3 1522 40.174 29.603 38.278 1.00 0.00 WT3 H ATOM 38079 H2 TIP3 1522 38.923 30.068 38.993 1.00 0.00 WT3 H ATOM 38080 OH2 TIP3 1523 25.257 78.993 -6.571 1.00 0.00 WT3 O ATOM 38081 H1 TIP3 1523 24.878 78.408 -5.914 1.00 0.00 WT3 H ATOM 38082 H2 TIP3 1523 25.268 79.852 -6.149 1.00 0.00 WT3 H ATOM 38083 OH2 TIP3 1524 45.979 76.286 4.265 1.00 0.00 WT3 O ATOM 38084 H1 TIP3 1524 46.546 75.604 4.624 1.00 0.00 WT3 H ATOM 38085 H2 TIP3 1524 46.494 76.679 3.560 1.00 0.00 WT3 H ATOM 38086 OH2 TIP3 1525 58.403 75.038 7.793 1.00 0.00 WT3 O ATOM 38087 H1 TIP3 1525 58.123 74.141 7.975 1.00 0.00 WT3 H ATOM 38088 H2 TIP3 1525 57.694 75.584 8.133 1.00 0.00 WT3 H ATOM 38089 OH2 TIP3 1529 45.822 76.847 52.303 1.00 0.00 WT3 O ATOM 38090 H1 TIP3 1529 45.992 76.611 51.391 1.00 0.00 WT3 H ATOM 38091 H2 TIP3 1529 46.678 77.102 52.648 1.00 0.00 WT3 H ATOM 38092 OH2 TIP3 1530 88.761 66.770 37.402 1.00 0.00 WT3 O ATOM 38093 H1 TIP3 1530 89.231 67.578 37.605 1.00 0.00 WT3 H ATOM 38094 H2 TIP3 1530 88.861 66.664 36.456 1.00 0.00 WT3 H ATOM 38095 OH2 TIP3 1532 50.432 81.085 15.499 1.00 0.00 WT3 O ATOM 38096 H1 TIP3 1532 49.686 81.575 15.846 1.00 0.00 WT3 H ATOM 38097 H2 TIP3 1532 50.122 80.736 14.663 1.00 0.00 WT3 H ATOM 38098 OH2 TIP3 1533 72.152 72.778 10.903 1.00 0.00 WT3 O ATOM 38099 H1 TIP3 1533 71.234 72.623 10.679 1.00 0.00 WT3 H ATOM 38100 H2 TIP3 1533 72.119 73.314 11.695 1.00 0.00 WT3 H ATOM 38101 OH2 TIP3 1541 40.138 9.727 10.626 1.00 0.00 WT3 O ATOM 38102 H1 TIP3 1541 40.441 9.872 11.522 1.00 0.00 WT3 H ATOM 38103 H2 TIP3 1541 40.291 10.561 10.183 1.00 0.00 WT3 H ATOM 38104 OH2 TIP3 1542 86.015 66.494 4.814 1.00 0.00 WT3 O ATOM 38105 H1 TIP3 1542 85.164 66.161 5.101 1.00 0.00 WT3 H ATOM 38106 H2 TIP3 1542 85.920 66.614 3.870 1.00 0.00 WT3 H ATOM 38107 OH2 TIP3 1547 21.557 76.180 26.972 1.00 0.00 WT3 O ATOM 38108 H1 TIP3 1547 22.021 75.536 27.506 1.00 0.00 WT3 H ATOM 38109 H2 TIP3 1547 21.686 75.883 26.071 1.00 0.00 WT3 H ATOM 38110 OH2 TIP3 1548 65.312 20.563 23.217 1.00 0.00 WT3 O ATOM 38111 H1 TIP3 1548 65.871 21.250 22.854 1.00 0.00 WT3 H ATOM 38112 H2 TIP3 1548 64.420 20.881 23.077 1.00 0.00 WT3 H ATOM 38113 OH2 TIP3 1550 48.385 32.073 -13.714 1.00 0.00 WT3 O ATOM 38114 H1 TIP3 1550 48.211 31.155 -13.920 1.00 0.00 WT3 H ATOM 38115 H2 TIP3 1550 49.311 32.094 -13.474 1.00 0.00 WT3 H ATOM 38116 OH2 TIP3 1551 42.901 3.197 -6.536 1.00 0.00 WT3 O ATOM 38117 H1 TIP3 1551 42.474 2.403 -6.214 1.00 0.00 WT3 H ATOM 38118 H2 TIP3 1551 42.301 3.541 -7.197 1.00 0.00 WT3 H ATOM 38119 OH2 TIP3 1558 73.596 3.889 4.991 1.00 0.00 WT3 O ATOM 38120 H1 TIP3 1558 73.958 4.052 4.121 1.00 0.00 WT3 H ATOM 38121 H2 TIP3 1558 72.658 4.057 4.896 1.00 0.00 WT3 H ATOM 38122 OH2 TIP3 1559 61.070 21.753 55.289 1.00 0.00 WT3 O ATOM 38123 H1 TIP3 1559 61.120 21.673 54.336 1.00 0.00 WT3 H ATOM 38124 H2 TIP3 1559 60.199 22.113 55.454 1.00 0.00 WT3 H ATOM 38125 OH2 TIP3 1587 30.094 9.615 -0.292 1.00 0.00 WT3 O ATOM 38126 H1 TIP3 1587 30.431 9.563 0.602 1.00 0.00 WT3 H ATOM 38127 H2 TIP3 1587 30.265 8.750 -0.664 1.00 0.00 WT3 H ATOM 38128 OH2 TIP3 1592 77.119 91.328 64.839 1.00 0.00 WT3 O ATOM 38129 H1 TIP3 1592 77.112 92.168 64.380 1.00 0.00 WT3 H ATOM 38130 H2 TIP3 1592 77.414 91.541 65.725 1.00 0.00 WT3 H ATOM 38131 OH2 TIP3 1593 70.446 30.013 -19.648 1.00 0.00 WT3 O ATOM 38132 H1 TIP3 1593 70.572 29.431 -20.398 1.00 0.00 WT3 H ATOM 38133 H2 TIP3 1593 71.106 29.732 -19.013 1.00 0.00 WT3 H ATOM 38134 OH2 TIP3 1609 37.997 87.447 63.646 1.00 0.00 WT3 O ATOM 38135 H1 TIP3 1609 38.501 86.649 63.805 1.00 0.00 WT3 H ATOM 38136 H2 TIP3 1609 37.271 87.165 63.090 1.00 0.00 WT3 H ATOM 38137 OH2 TIP3 1611 86.020 68.873 16.722 1.00 0.00 WT3 O ATOM 38138 H1 TIP3 1611 85.470 69.248 17.410 1.00 0.00 WT3 H ATOM 38139 H2 TIP3 1611 86.786 68.534 17.186 1.00 0.00 WT3 H ATOM 38140 OH2 TIP3 1618 68.550 22.946 4.604 1.00 0.00 WT3 O ATOM 38141 H1 TIP3 1618 67.992 23.651 4.276 1.00 0.00 WT3 H ATOM 38142 H2 TIP3 1618 67.958 22.384 5.105 1.00 0.00 WT3 H ATOM 38143 OH2 TIP3 1621 76.738 82.388 -6.341 1.00 0.00 WT3 O ATOM 38144 H1 TIP3 1621 75.973 82.583 -5.799 1.00 0.00 WT3 H ATOM 38145 H2 TIP3 1621 76.619 81.476 -6.606 1.00 0.00 WT3 H ATOM 38146 OH2 TIP3 1630 21.664 74.856 12.630 1.00 0.00 WT3 O ATOM 38147 H1 TIP3 1630 20.935 74.316 12.324 1.00 0.00 WT3 H ATOM 38148 H2 TIP3 1630 21.801 74.582 13.537 1.00 0.00 WT3 H ATOM 38149 OH2 TIP3 1650 66.029 18.041 7.289 1.00 0.00 WT3 O ATOM 38150 H1 TIP3 1650 65.608 17.590 8.020 1.00 0.00 WT3 H ATOM 38151 H2 TIP3 1650 66.789 18.474 7.679 1.00 0.00 WT3 H ATOM 38152 OH2 TIP3 1670 81.004 54.503 -7.272 1.00 0.00 WT3 O ATOM 38153 H1 TIP3 1670 81.818 54.019 -7.415 1.00 0.00 WT3 H ATOM 38154 H2 TIP3 1670 80.451 53.900 -6.775 1.00 0.00 WT3 H ATOM 38155 OH2 TIP3 1692 61.494 79.896 -0.611 1.00 0.00 WT3 O ATOM 38156 H1 TIP3 1692 61.317 80.833 -0.531 1.00 0.00 WT3 H ATOM 38157 H2 TIP3 1692 61.745 79.623 0.272 1.00 0.00 WT3 H ATOM 38158 OH2 TIP3 1707 67.741 95.715 19.295 1.00 0.00 WT3 O ATOM 38159 H1 TIP3 1707 67.543 94.885 18.861 1.00 0.00 WT3 H ATOM 38160 H2 TIP3 1707 68.644 95.907 19.044 1.00 0.00 WT3 H ATOM 38161 OH2 TIP3 1711 31.626 84.395 55.034 1.00 0.00 WT3 O ATOM 38162 H1 TIP3 1711 31.912 84.870 54.253 1.00 0.00 WT3 H ATOM 38163 H2 TIP3 1711 30.706 84.190 54.866 1.00 0.00 WT3 H ATOM 38164 OH2 TIP3 1712 24.239 22.146 23.318 1.00 0.00 WT3 O ATOM 38165 H1 TIP3 1712 24.073 22.016 22.384 1.00 0.00 WT3 H ATOM 38166 H2 TIP3 1712 24.639 21.326 23.607 1.00 0.00 WT3 H ATOM 38167 OH2 TIP3 1714 36.995 11.957 62.574 1.00 0.00 WT3 O ATOM 38168 H1 TIP3 1714 36.327 11.664 63.194 1.00 0.00 WT3 H ATOM 38169 H2 TIP3 1714 36.850 12.899 62.492 1.00 0.00 WT3 H ATOM 38170 OH2 TIP3 1715 33.832 32.389 -18.021 1.00 0.00 WT3 O ATOM 38171 H1 TIP3 1715 34.272 33.121 -17.588 1.00 0.00 WT3 H ATOM 38172 H2 TIP3 1715 33.788 32.647 -18.942 1.00 0.00 WT3 H ATOM 38173 OH2 TIP3 1718 68.579 59.521 14.028 1.00 0.00 WT3 O ATOM 38174 H1 TIP3 1718 68.372 59.244 14.921 1.00 0.00 WT3 H ATOM 38175 H2 TIP3 1718 67.988 60.256 13.862 1.00 0.00 WT3 H ATOM 38176 OH2 TIP3 1722 58.945 57.661 32.201 1.00 0.00 WT3 O ATOM 38177 H1 TIP3 1722 58.534 57.337 31.400 1.00 0.00 WT3 H ATOM 38178 H2 TIP3 1722 58.233 57.698 32.839 1.00 0.00 WT3 H ATOM 38179 OH2 TIP3 1723 78.565 45.643 63.459 1.00 0.00 WT3 O ATOM 38180 H1 TIP3 1723 78.512 45.706 62.505 1.00 0.00 WT3 H ATOM 38181 H2 TIP3 1723 77.787 45.145 63.710 1.00 0.00 WT3 H ATOM 38182 OH2 TIP3 1725 77.273 36.230 6.897 1.00 0.00 WT3 O ATOM 38183 H1 TIP3 1725 76.692 36.695 7.499 1.00 0.00 WT3 H ATOM 38184 H2 TIP3 1725 76.961 35.326 6.912 1.00 0.00 WT3 H ATOM 38185 OH2 TIP3 1727 35.522 75.692 -7.648 1.00 0.00 WT3 O ATOM 38186 H1 TIP3 1727 34.586 75.851 -7.770 1.00 0.00 WT3 H ATOM 38187 H2 TIP3 1727 35.945 76.202 -8.339 1.00 0.00 WT3 H ATOM 38188 OH2 TIP3 1729 32.280 14.049 14.906 1.00 0.00 WT3 O ATOM 38189 H1 TIP3 1729 31.692 14.020 15.661 1.00 0.00 WT3 H ATOM 38190 H2 TIP3 1729 32.313 14.974 14.663 1.00 0.00 WT3 H ATOM 38191 OH2 TIP3 1730 63.628 74.327 -9.405 1.00 0.00 WT3 O ATOM 38192 H1 TIP3 1730 62.899 73.723 -9.544 1.00 0.00 WT3 H ATOM 38193 H2 TIP3 1730 63.552 74.589 -8.488 1.00 0.00 WT3 H ATOM 38194 OH2 TIP3 1733 45.298 73.048 -14.452 1.00 0.00 WT3 O ATOM 38195 H1 TIP3 1733 44.580 72.845 -13.852 1.00 0.00 WT3 H ATOM 38196 H2 TIP3 1733 44.940 73.713 -15.039 1.00 0.00 WT3 H ATOM 38197 OH2 TIP3 1736 62.490 67.949 46.416 1.00 0.00 WT3 O ATOM 38198 H1 TIP3 1736 62.288 67.160 46.920 1.00 0.00 WT3 H ATOM 38199 H2 TIP3 1736 61.990 67.851 45.606 1.00 0.00 WT3 H ATOM 38200 OH2 TIP3 1741 57.074 91.753 21.804 1.00 0.00 WT3 O ATOM 38201 H1 TIP3 1741 56.178 91.947 22.079 1.00 0.00 WT3 H ATOM 38202 H2 TIP3 1741 57.069 90.816 21.611 1.00 0.00 WT3 H ATOM 38203 OH2 TIP3 1744 32.811 42.683 -5.235 1.00 0.00 WT3 O ATOM 38204 H1 TIP3 1744 32.700 41.735 -5.159 1.00 0.00 WT3 H ATOM 38205 H2 TIP3 1744 31.947 43.043 -5.037 1.00 0.00 WT3 H ATOM 38206 OH2 TIP3 1746 53.249 65.149 -12.022 1.00 0.00 WT3 O ATOM 38207 H1 TIP3 1746 52.741 65.306 -11.226 1.00 0.00 WT3 H ATOM 38208 H2 TIP3 1746 54.162 65.183 -11.734 1.00 0.00 WT3 H ATOM 38209 OH2 TIP3 1748 82.971 10.252 -10.751 1.00 0.00 WT3 O ATOM 38210 H1 TIP3 1748 83.342 10.573 -11.573 1.00 0.00 WT3 H ATOM 38211 H2 TIP3 1748 83.200 10.923 -10.107 1.00 0.00 WT3 H ATOM 38212 OH2 TIP3 1750 44.814 47.266 54.532 1.00 0.00 WT3 O ATOM 38213 H1 TIP3 1750 44.583 47.877 55.231 1.00 0.00 WT3 H ATOM 38214 H2 TIP3 1750 45.711 47.499 54.295 1.00 0.00 WT3 H ATOM 38215 OH2 TIP3 1752 60.678 80.669 22.428 1.00 0.00 WT3 O ATOM 38216 H1 TIP3 1752 61.084 80.088 23.070 1.00 0.00 WT3 H ATOM 38217 H2 TIP3 1752 60.127 80.093 21.898 1.00 0.00 WT3 H ATOM 38218 OH2 TIP3 1755 49.792 63.863 15.953 1.00 0.00 WT3 O ATOM 38219 H1 TIP3 1755 49.897 64.200 16.842 1.00 0.00 WT3 H ATOM 38220 H2 TIP3 1755 49.837 62.912 16.050 1.00 0.00 WT3 H ATOM 38221 OH2 TIP3 1756 65.467 83.286 49.292 1.00 0.00 WT3 O ATOM 38222 H1 TIP3 1756 65.531 84.056 48.726 1.00 0.00 WT3 H ATOM 38223 H2 TIP3 1756 64.529 83.096 49.333 1.00 0.00 WT3 H ATOM 38224 OH2 TIP3 1757 74.818 89.284 -2.170 1.00 0.00 WT3 O ATOM 38225 H1 TIP3 1757 74.808 90.135 -2.609 1.00 0.00 WT3 H ATOM 38226 H2 TIP3 1757 74.553 89.476 -1.271 1.00 0.00 WT3 H ATOM 38227 OH2 TIP3 1764 64.077 63.755 25.222 1.00 0.00 WT3 O ATOM 38228 H1 TIP3 1764 63.167 64.013 25.072 1.00 0.00 WT3 H ATOM 38229 H2 TIP3 1764 64.104 62.826 24.993 1.00 0.00 WT3 H ATOM 38230 OH2 TIP3 1766 34.462 82.983 -18.536 1.00 0.00 WT3 O ATOM 38231 H1 TIP3 1766 34.967 83.596 -18.001 1.00 0.00 WT3 H ATOM 38232 H2 TIP3 1766 33.789 82.647 -17.944 1.00 0.00 WT3 H ATOM 38233 OH2 TIP3 1768 48.569 72.383 28.594 1.00 0.00 WT3 O ATOM 38234 H1 TIP3 1768 48.508 71.490 28.932 1.00 0.00 WT3 H ATOM 38235 H2 TIP3 1768 49.273 72.347 27.946 1.00 0.00 WT3 H ATOM 38236 OH2 TIP3 1771 29.521 62.949 18.038 1.00 0.00 WT3 O ATOM 38237 H1 TIP3 1771 28.739 63.474 17.872 1.00 0.00 WT3 H ATOM 38238 H2 TIP3 1771 29.834 62.703 17.167 1.00 0.00 WT3 H ATOM 38239 OH2 TIP3 1772 40.655 50.303 8.111 1.00 0.00 WT3 O ATOM 38240 H1 TIP3 1772 41.295 51.014 8.155 1.00 0.00 WT3 H ATOM 38241 H2 TIP3 1772 41.038 49.602 8.637 1.00 0.00 WT3 H ATOM 38242 OH2 TIP3 1773 87.006 39.998 36.431 1.00 0.00 WT3 O ATOM 38243 H1 TIP3 1773 87.475 39.480 35.777 1.00 0.00 WT3 H ATOM 38244 H2 TIP3 1773 87.252 40.903 36.242 1.00 0.00 WT3 H ATOM 38245 OH2 TIP3 1775 25.958 25.581 -11.980 1.00 0.00 WT3 O ATOM 38246 H1 TIP3 1775 26.502 24.806 -11.841 1.00 0.00 WT3 H ATOM 38247 H2 TIP3 1775 25.662 25.827 -11.103 1.00 0.00 WT3 H ATOM 38248 OH2 TIP3 1776 79.026 79.501 28.887 1.00 0.00 WT3 O ATOM 38249 H1 TIP3 1776 78.198 79.978 28.951 1.00 0.00 WT3 H ATOM 38250 H2 TIP3 1776 78.787 78.586 29.036 1.00 0.00 WT3 H ATOM 38251 OH2 TIP3 1778 85.108 91.817 -18.134 1.00 0.00 WT3 O ATOM 38252 H1 TIP3 1778 85.278 92.113 -19.028 1.00 0.00 WT3 H ATOM 38253 H2 TIP3 1778 84.977 90.872 -18.216 1.00 0.00 WT3 H ATOM 38254 OH2 TIP3 1779 57.287 76.981 51.421 1.00 0.00 WT3 O ATOM 38255 H1 TIP3 1779 57.036 76.980 50.498 1.00 0.00 WT3 H ATOM 38256 H2 TIP3 1779 58.223 77.182 51.415 1.00 0.00 WT3 H ATOM 38257 OH2 TIP3 1782 44.533 60.430 57.210 1.00 0.00 WT3 O ATOM 38258 H1 TIP3 1782 43.678 60.473 56.782 1.00 0.00 WT3 H ATOM 38259 H2 TIP3 1782 44.346 60.095 58.087 1.00 0.00 WT3 H ATOM 38260 OH2 TIP3 1786 41.663 6.507 20.038 1.00 0.00 WT3 O ATOM 38261 H1 TIP3 1786 42.294 5.825 19.809 1.00 0.00 WT3 H ATOM 38262 H2 TIP3 1786 41.711 6.567 20.992 1.00 0.00 WT3 H ATOM 38263 OH2 TIP3 1788 44.271 58.600 54.622 1.00 0.00 WT3 O ATOM 38264 H1 TIP3 1788 43.744 59.336 54.935 1.00 0.00 WT3 H ATOM 38265 H2 TIP3 1788 44.267 57.976 55.348 1.00 0.00 WT3 H ATOM 38266 OH2 TIP3 1789 45.410 5.446 54.326 1.00 0.00 WT3 O ATOM 38267 H1 TIP3 1789 45.586 4.510 54.229 1.00 0.00 WT3 H ATOM 38268 H2 TIP3 1789 44.884 5.672 53.560 1.00 0.00 WT3 H ATOM 38269 OH2 TIP3 1790 78.685 74.613 -6.364 1.00 0.00 WT3 O ATOM 38270 H1 TIP3 1790 78.292 74.064 -7.042 1.00 0.00 WT3 H ATOM 38271 H2 TIP3 1790 78.608 74.096 -5.562 1.00 0.00 WT3 H ATOM 38272 OH2 TIP3 1794 53.779 10.531 29.915 1.00 0.00 WT3 O ATOM 38273 H1 TIP3 1794 54.361 11.195 29.545 1.00 0.00 WT3 H ATOM 38274 H2 TIP3 1794 54.100 9.704 29.556 1.00 0.00 WT3 H ATOM 38275 OH2 TIP3 1795 57.773 71.155 43.135 1.00 0.00 WT3 O ATOM 38276 H1 TIP3 1795 57.873 72.107 43.128 1.00 0.00 WT3 H ATOM 38277 H2 TIP3 1795 57.024 70.988 42.562 1.00 0.00 WT3 H ATOM 38278 OH2 TIP3 1796 84.724 53.531 65.635 1.00 0.00 WT3 O ATOM 38279 H1 TIP3 1796 84.054 53.780 64.998 1.00 0.00 WT3 H ATOM 38280 H2 TIP3 1796 85.341 52.996 65.136 1.00 0.00 WT3 H ATOM 38281 OH2 TIP3 1798 65.450 42.638 27.401 1.00 0.00 WT3 O ATOM 38282 H1 TIP3 1798 65.339 43.579 27.534 1.00 0.00 WT3 H ATOM 38283 H2 TIP3 1798 64.587 42.266 27.581 1.00 0.00 WT3 H ATOM 38284 OH2 TIP3 1800 32.076 73.205 28.669 1.00 0.00 WT3 O ATOM 38285 H1 TIP3 1800 31.916 73.699 29.473 1.00 0.00 WT3 H ATOM 38286 H2 TIP3 1800 31.288 72.675 28.553 1.00 0.00 WT3 H ATOM 38287 OH2 TIP3 1804 88.562 16.110 -6.434 1.00 0.00 WT3 O ATOM 38288 H1 TIP3 1804 88.981 15.263 -6.586 1.00 0.00 WT3 H ATOM 38289 H2 TIP3 1804 89.283 16.739 -6.435 1.00 0.00 WT3 H ATOM 38290 OH2 TIP3 1805 57.195 94.710 64.660 1.00 0.00 WT3 O ATOM 38291 H1 TIP3 1805 57.228 94.269 65.509 1.00 0.00 WT3 H ATOM 38292 H2 TIP3 1805 56.798 95.560 64.846 1.00 0.00 WT3 H ATOM 38293 OH2 TIP3 1808 55.130 28.906 -3.529 1.00 0.00 WT3 O ATOM 38294 H1 TIP3 1808 55.890 29.472 -3.392 1.00 0.00 WT3 H ATOM 38295 H2 TIP3 1808 54.819 29.130 -4.406 1.00 0.00 WT3 H ATOM 38296 OH2 TIP3 1810 40.663 23.855 65.281 1.00 0.00 WT3 O ATOM 38297 H1 TIP3 1810 41.430 24.393 65.085 1.00 0.00 WT3 H ATOM 38298 H2 TIP3 1810 40.111 24.414 65.829 1.00 0.00 WT3 H ATOM 38299 OH2 TIP3 1811 33.100 91.951 41.366 1.00 0.00 WT3 O ATOM 38300 H1 TIP3 1811 33.337 91.024 41.337 1.00 0.00 WT3 H ATOM 38301 H2 TIP3 1811 32.158 91.953 41.536 1.00 0.00 WT3 H ATOM 38302 OH2 TIP3 1812 38.236 47.820 66.765 1.00 0.00 WT3 O ATOM 38303 H1 TIP3 1812 38.376 47.389 67.608 1.00 0.00 WT3 H ATOM 38304 H2 TIP3 1812 38.957 47.512 66.216 1.00 0.00 WT3 H ATOM 38305 OH2 TIP3 1813 85.593 12.043 59.474 1.00 0.00 WT3 O ATOM 38306 H1 TIP3 1813 85.574 12.897 59.904 1.00 0.00 WT3 H ATOM 38307 H2 TIP3 1813 86.109 12.185 58.680 1.00 0.00 WT3 H ATOM 38308 OH2 TIP3 1814 30.732 53.462 20.476 1.00 0.00 WT3 O ATOM 38309 H1 TIP3 1814 29.922 53.882 20.188 1.00 0.00 WT3 H ATOM 38310 H2 TIP3 1814 31.401 53.797 19.879 1.00 0.00 WT3 H ATOM 38311 OH2 TIP3 1815 89.589 73.183 17.742 1.00 0.00 WT3 O ATOM 38312 H1 TIP3 1815 88.796 72.841 17.330 1.00 0.00 WT3 H ATOM 38313 H2 TIP3 1815 90.232 72.481 17.644 1.00 0.00 WT3 H ATOM 38314 OH2 TIP3 1816 49.873 1.260 59.479 1.00 0.00 WT3 O ATOM 38315 H1 TIP3 1816 49.309 1.753 60.075 1.00 0.00 WT3 H ATOM 38316 H2 TIP3 1816 50.723 1.236 59.919 1.00 0.00 WT3 H ATOM 38317 OH2 TIP3 1817 51.000 12.106 59.185 1.00 0.00 WT3 O ATOM 38318 H1 TIP3 1817 51.494 11.545 58.586 1.00 0.00 WT3 H ATOM 38319 H2 TIP3 1817 51.494 12.077 60.004 1.00 0.00 WT3 H ATOM 38320 OH2 TIP3 1818 85.203 31.159 37.625 1.00 0.00 WT3 O ATOM 38321 H1 TIP3 1818 86.094 31.391 37.886 1.00 0.00 WT3 H ATOM 38322 H2 TIP3 1818 85.222 30.206 37.529 1.00 0.00 WT3 H ATOM 38323 OH2 TIP3 1819 52.095 77.547 -9.847 1.00 0.00 WT3 O ATOM 38324 H1 TIP3 1819 51.349 77.918 -9.376 1.00 0.00 WT3 H ATOM 38325 H2 TIP3 1819 52.826 77.616 -9.232 1.00 0.00 WT3 H ATOM 38326 OH2 TIP3 1820 29.701 64.613 38.356 1.00 0.00 WT3 O ATOM 38327 H1 TIP3 1820 29.561 65.400 37.829 1.00 0.00 WT3 H ATOM 38328 H2 TIP3 1820 30.468 64.816 38.892 1.00 0.00 WT3 H ATOM 38329 OH2 TIP3 1821 48.569 83.481 2.931 1.00 0.00 WT3 O ATOM 38330 H1 TIP3 1821 47.795 83.985 3.182 1.00 0.00 WT3 H ATOM 38331 H2 TIP3 1821 48.301 83.003 2.146 1.00 0.00 WT3 H ATOM 38332 OH2 TIP3 1824 34.307 84.807 30.209 1.00 0.00 WT3 O ATOM 38333 H1 TIP3 1824 33.980 83.919 30.350 1.00 0.00 WT3 H ATOM 38334 H2 TIP3 1824 33.731 85.362 30.734 1.00 0.00 WT3 H ATOM 38335 OH2 TIP3 1825 49.909 49.155 53.934 1.00 0.00 WT3 O ATOM 38336 H1 TIP3 1825 49.926 50.062 53.627 1.00 0.00 WT3 H ATOM 38337 H2 TIP3 1825 50.646 48.738 53.487 1.00 0.00 WT3 H ATOM 38338 OH2 TIP3 1828 62.858 50.532 14.933 1.00 0.00 WT3 O ATOM 38339 H1 TIP3 1828 63.096 51.395 15.272 1.00 0.00 WT3 H ATOM 38340 H2 TIP3 1828 62.979 49.941 15.676 1.00 0.00 WT3 H ATOM 38341 OH2 TIP3 1829 43.496 77.933 -15.317 1.00 0.00 WT3 O ATOM 38342 H1 TIP3 1829 43.956 77.982 -16.155 1.00 0.00 WT3 H ATOM 38343 H2 TIP3 1829 42.568 77.937 -15.551 1.00 0.00 WT3 H ATOM 38344 OH2 TIP3 1830 49.894 31.717 -1.115 1.00 0.00 WT3 O ATOM 38345 H1 TIP3 1830 49.415 31.117 -0.541 1.00 0.00 WT3 H ATOM 38346 H2 TIP3 1830 49.880 32.554 -0.651 1.00 0.00 WT3 H ATOM 38347 OH2 TIP3 1831 34.836 44.735 8.564 1.00 0.00 WT3 O ATOM 38348 H1 TIP3 1831 35.606 45.030 9.049 1.00 0.00 WT3 H ATOM 38349 H2 TIP3 1831 34.401 44.121 9.155 1.00 0.00 WT3 H ATOM 38350 OH2 TIP3 1832 86.070 3.620 6.775 1.00 0.00 WT3 O ATOM 38351 H1 TIP3 1832 87.022 3.567 6.686 1.00 0.00 WT3 H ATOM 38352 H2 TIP3 1832 85.923 3.743 7.713 1.00 0.00 WT3 H ATOM 38353 OH2 TIP3 1833 66.865 11.456 44.615 1.00 0.00 WT3 O ATOM 38354 H1 TIP3 1833 66.187 10.900 44.231 1.00 0.00 WT3 H ATOM 38355 H2 TIP3 1833 66.669 12.334 44.288 1.00 0.00 WT3 H ATOM 38356 OH2 TIP3 1835 75.091 56.763 65.341 1.00 0.00 WT3 O ATOM 38357 H1 TIP3 1835 74.232 56.373 65.501 1.00 0.00 WT3 H ATOM 38358 H2 TIP3 1835 75.402 57.022 66.209 1.00 0.00 WT3 H ATOM 38359 OH2 TIP3 1836 27.606 94.266 55.008 1.00 0.00 WT3 O ATOM 38360 H1 TIP3 1836 27.101 93.686 54.438 1.00 0.00 WT3 H ATOM 38361 H2 TIP3 1836 28.215 94.710 54.418 1.00 0.00 WT3 H ATOM 38362 OH2 TIP3 1837 38.621 2.862 56.867 1.00 0.00 WT3 O ATOM 38363 H1 TIP3 1837 37.911 3.005 57.492 1.00 0.00 WT3 H ATOM 38364 H2 TIP3 1837 38.656 1.911 56.758 1.00 0.00 WT3 H ATOM 38365 OH2 TIP3 1838 77.154 24.077 61.908 1.00 0.00 WT3 O ATOM 38366 H1 TIP3 1838 77.922 24.009 61.341 1.00 0.00 WT3 H ATOM 38367 H2 TIP3 1838 77.513 24.221 62.784 1.00 0.00 WT3 H ATOM 38368 OH2 TIP3 1839 24.976 71.489 23.132 1.00 0.00 WT3 O ATOM 38369 H1 TIP3 1839 25.553 70.734 23.252 1.00 0.00 WT3 H ATOM 38370 H2 TIP3 1839 24.275 71.168 22.565 1.00 0.00 WT3 H ATOM 38371 OH2 TIP3 1840 67.655 81.091 16.287 1.00 0.00 WT3 O ATOM 38372 H1 TIP3 1840 66.776 80.720 16.226 1.00 0.00 WT3 H ATOM 38373 H2 TIP3 1840 68.077 80.597 16.990 1.00 0.00 WT3 H ATOM 38374 OH2 TIP3 1841 89.804 91.518 62.427 1.00 0.00 WT3 O ATOM 38375 H1 TIP3 1841 89.693 91.991 63.252 1.00 0.00 WT3 H ATOM 38376 H2 TIP3 1841 90.632 91.048 62.529 1.00 0.00 WT3 H ATOM 38377 OH2 TIP3 1842 72.891 94.261 16.025 1.00 0.00 WT3 O ATOM 38378 H1 TIP3 1842 73.361 93.704 15.405 1.00 0.00 WT3 H ATOM 38379 H2 TIP3 1842 72.392 93.650 16.567 1.00 0.00 WT3 H ATOM 38380 OH2 TIP3 1843 44.602 34.149 35.916 1.00 0.00 WT3 O ATOM 38381 H1 TIP3 1843 45.444 33.698 35.849 1.00 0.00 WT3 H ATOM 38382 H2 TIP3 1843 44.585 34.738 35.161 1.00 0.00 WT3 H ATOM 38383 OH2 TIP3 1844 47.408 67.619 33.568 1.00 0.00 WT3 O ATOM 38384 H1 TIP3 1844 47.811 68.345 34.042 1.00 0.00 WT3 H ATOM 38385 H2 TIP3 1844 47.686 66.837 34.045 1.00 0.00 WT3 H ATOM 38386 OH2 TIP3 1845 73.748 44.977 25.808 1.00 0.00 WT3 O ATOM 38387 H1 TIP3 1845 73.907 45.764 26.330 1.00 0.00 WT3 H ATOM 38388 H2 TIP3 1845 74.057 45.205 24.931 1.00 0.00 WT3 H ATOM 38389 OH2 TIP3 1846 66.459 54.035 -19.309 1.00 0.00 WT3 O ATOM 38390 H1 TIP3 1846 65.525 54.239 -19.349 1.00 0.00 WT3 H ATOM 38391 H2 TIP3 1846 66.555 53.245 -19.841 1.00 0.00 WT3 H ATOM 38392 OH2 TIP3 1847 76.831 24.376 -8.574 1.00 0.00 WT3 O ATOM 38393 H1 TIP3 1847 76.995 23.456 -8.780 1.00 0.00 WT3 H ATOM 38394 H2 TIP3 1847 76.431 24.360 -7.704 1.00 0.00 WT3 H ATOM 38395 OH2 TIP3 1848 48.364 87.604 -3.229 1.00 0.00 WT3 O ATOM 38396 H1 TIP3 1848 48.348 88.048 -2.381 1.00 0.00 WT3 H ATOM 38397 H2 TIP3 1848 47.795 88.134 -3.787 1.00 0.00 WT3 H ATOM 38398 OH2 TIP3 1850 49.136 30.741 -4.063 1.00 0.00 WT3 O ATOM 38399 H1 TIP3 1850 48.322 31.245 -4.062 1.00 0.00 WT3 H ATOM 38400 H2 TIP3 1850 49.548 30.948 -3.224 1.00 0.00 WT3 H ATOM 38401 OH2 TIP3 1851 54.749 79.912 31.550 1.00 0.00 WT3 O ATOM 38402 H1 TIP3 1851 54.414 79.563 32.376 1.00 0.00 WT3 H ATOM 38403 H2 TIP3 1851 53.991 80.330 31.141 1.00 0.00 WT3 H ATOM 38404 OH2 TIP3 1852 78.817 90.524 21.752 1.00 0.00 WT3 O ATOM 38405 H1 TIP3 1852 79.180 91.390 21.936 1.00 0.00 WT3 H ATOM 38406 H2 TIP3 1852 78.065 90.449 22.339 1.00 0.00 WT3 H ATOM 38407 OH2 TIP3 1853 74.109 46.885 27.737 1.00 0.00 WT3 O ATOM 38408 H1 TIP3 1853 73.215 47.215 27.830 1.00 0.00 WT3 H ATOM 38409 H2 TIP3 1853 74.406 46.739 28.635 1.00 0.00 WT3 H ATOM 38410 OH2 TIP3 1854 90.725 95.834 -19.225 1.00 0.00 WT3 O ATOM 38411 H1 TIP3 1854 90.996 95.882 -18.308 1.00 0.00 WT3 H ATOM 38412 H2 TIP3 1854 89.854 95.439 -19.198 1.00 0.00 WT3 H ATOM 38413 OH2 TIP3 1856 86.705 61.928 5.607 1.00 0.00 WT3 O ATOM 38414 H1 TIP3 1856 85.857 62.044 6.035 1.00 0.00 WT3 H ATOM 38415 H2 TIP3 1856 86.927 61.010 5.759 1.00 0.00 WT3 H ATOM 38416 OH2 TIP3 1857 32.224 79.059 34.862 1.00 0.00 WT3 O ATOM 38417 H1 TIP3 1857 31.423 78.585 35.082 1.00 0.00 WT3 H ATOM 38418 H2 TIP3 1857 31.962 79.666 34.170 1.00 0.00 WT3 H ATOM 38419 OH2 TIP3 1858 21.896 8.896 -7.662 1.00 0.00 WT3 O ATOM 38420 H1 TIP3 1858 21.535 8.027 -7.834 1.00 0.00 WT3 H ATOM 38421 H2 TIP3 1858 21.802 9.363 -8.493 1.00 0.00 WT3 H ATOM 38422 OH2 TIP3 1859 54.257 56.131 -3.002 1.00 0.00 WT3 O ATOM 38423 H1 TIP3 1859 53.603 56.681 -2.572 1.00 0.00 WT3 H ATOM 38424 H2 TIP3 1859 54.893 55.931 -2.315 1.00 0.00 WT3 H ATOM 38425 OH2 TIP3 1860 83.165 67.371 -17.033 1.00 0.00 WT3 O ATOM 38426 H1 TIP3 1860 84.079 67.619 -17.172 1.00 0.00 WT3 H ATOM 38427 H2 TIP3 1860 82.973 67.653 -16.139 1.00 0.00 WT3 H ATOM 38428 OH2 TIP3 1861 38.369 6.723 6.908 1.00 0.00 WT3 O ATOM 38429 H1 TIP3 1861 37.650 7.330 7.087 1.00 0.00 WT3 H ATOM 38430 H2 TIP3 1861 38.876 6.707 7.720 1.00 0.00 WT3 H ATOM 38431 OH2 TIP3 1863 35.109 60.318 3.055 1.00 0.00 WT3 O ATOM 38432 H1 TIP3 1863 34.822 60.851 3.796 1.00 0.00 WT3 H ATOM 38433 H2 TIP3 1863 36.025 60.115 3.246 1.00 0.00 WT3 H ATOM 38434 OH2 TIP3 1864 44.330 63.048 -9.164 1.00 0.00 WT3 O ATOM 38435 H1 TIP3 1864 43.441 62.773 -8.943 1.00 0.00 WT3 H ATOM 38436 H2 TIP3 1864 44.452 63.870 -8.690 1.00 0.00 WT3 H ATOM 38437 OH2 TIP3 1866 54.316 68.452 51.641 1.00 0.00 WT3 O ATOM 38438 H1 TIP3 1866 54.671 67.733 51.118 1.00 0.00 WT3 H ATOM 38439 H2 TIP3 1866 53.529 68.726 51.170 1.00 0.00 WT3 H ATOM 38440 OH2 TIP3 1869 79.785 84.707 3.689 1.00 0.00 WT3 O ATOM 38441 H1 TIP3 1869 80.087 85.609 3.580 1.00 0.00 WT3 H ATOM 38442 H2 TIP3 1869 80.468 84.174 3.280 1.00 0.00 WT3 H ATOM 38443 OH2 TIP3 1870 77.481 64.124 31.247 1.00 0.00 WT3 O ATOM 38444 H1 TIP3 1870 77.794 63.343 31.703 1.00 0.00 WT3 H ATOM 38445 H2 TIP3 1870 76.578 64.231 31.547 1.00 0.00 WT3 H ATOM 38446 OH2 TIP3 1871 25.388 61.806 36.496 1.00 0.00 WT3 O ATOM 38447 H1 TIP3 1871 26.296 61.502 36.517 1.00 0.00 WT3 H ATOM 38448 H2 TIP3 1871 24.997 61.345 35.754 1.00 0.00 WT3 H ATOM 38449 OH2 TIP3 1872 75.254 50.533 17.026 1.00 0.00 WT3 O ATOM 38450 H1 TIP3 1872 75.233 50.186 16.134 1.00 0.00 WT3 H ATOM 38451 H2 TIP3 1872 74.355 50.441 17.341 1.00 0.00 WT3 H ATOM 38452 OH2 TIP3 1873 76.606 95.843 60.030 1.00 0.00 WT3 O ATOM 38453 H1 TIP3 1873 76.932 95.000 59.715 1.00 0.00 WT3 H ATOM 38454 H2 TIP3 1873 75.719 95.905 59.675 1.00 0.00 WT3 H ATOM 38455 OH2 TIP3 1874 23.948 69.372 -8.883 1.00 0.00 WT3 O ATOM 38456 H1 TIP3 1874 24.632 69.889 -9.308 1.00 0.00 WT3 H ATOM 38457 H2 TIP3 1874 24.423 68.765 -8.316 1.00 0.00 WT3 H ATOM 38458 OH2 TIP3 1875 42.816 70.227 -7.858 1.00 0.00 WT3 O ATOM 38459 H1 TIP3 1875 43.043 70.565 -6.992 1.00 0.00 WT3 H ATOM 38460 H2 TIP3 1875 42.131 69.580 -7.692 1.00 0.00 WT3 H ATOM 38461 OH2 TIP3 1876 34.260 16.380 -6.340 1.00 0.00 WT3 O ATOM 38462 H1 TIP3 1876 33.713 15.747 -6.805 1.00 0.00 WT3 H ATOM 38463 H2 TIP3 1876 34.099 17.211 -6.787 1.00 0.00 WT3 H ATOM 38464 OH2 TIP3 1878 77.721 88.703 61.309 1.00 0.00 WT3 O ATOM 38465 H1 TIP3 1878 76.912 89.208 61.397 1.00 0.00 WT3 H ATOM 38466 H2 TIP3 1878 78.273 89.007 62.030 1.00 0.00 WT3 H ATOM 38467 OH2 TIP3 1879 40.301 72.988 -16.568 1.00 0.00 WT3 O ATOM 38468 H1 TIP3 1879 40.062 72.334 -15.911 1.00 0.00 WT3 H ATOM 38469 H2 TIP3 1879 39.791 72.748 -17.342 1.00 0.00 WT3 H ATOM 38470 OH2 TIP3 1880 63.380 88.086 5.971 1.00 0.00 WT3 O ATOM 38471 H1 TIP3 1880 63.256 87.151 6.137 1.00 0.00 WT3 H ATOM 38472 H2 TIP3 1880 62.945 88.240 5.132 1.00 0.00 WT3 H ATOM 38473 OH2 TIP3 1881 32.367 54.842 -14.994 1.00 0.00 WT3 O ATOM 38474 H1 TIP3 1881 31.417 54.939 -15.055 1.00 0.00 WT3 H ATOM 38475 H2 TIP3 1881 32.676 55.696 -14.691 1.00 0.00 WT3 H ATOM 38476 OH2 TIP3 1882 50.036 68.725 32.799 1.00 0.00 WT3 O ATOM 38477 H1 TIP3 1882 50.914 68.765 32.420 1.00 0.00 WT3 H ATOM 38478 H2 TIP3 1882 50.140 68.191 33.587 1.00 0.00 WT3 H ATOM 38479 OH2 TIP3 1883 83.443 32.973 50.491 1.00 0.00 WT3 O ATOM 38480 H1 TIP3 1883 82.730 33.294 51.042 1.00 0.00 WT3 H ATOM 38481 H2 TIP3 1883 83.232 32.053 50.337 1.00 0.00 WT3 H ATOM 38482 OH2 TIP3 1885 50.640 85.638 40.475 1.00 0.00 WT3 O ATOM 38483 H1 TIP3 1885 49.937 85.344 41.055 1.00 0.00 WT3 H ATOM 38484 H2 TIP3 1885 50.907 86.485 40.832 1.00 0.00 WT3 H ATOM 38485 OH2 TIP3 1886 39.372 14.167 61.494 1.00 0.00 WT3 O ATOM 38486 H1 TIP3 1886 39.102 14.514 60.644 1.00 0.00 WT3 H ATOM 38487 H2 TIP3 1886 38.565 14.137 62.009 1.00 0.00 WT3 H ATOM 38488 OH2 TIP3 1887 89.281 72.069 -7.886 1.00 0.00 WT3 O ATOM 38489 H1 TIP3 1887 88.618 72.458 -7.316 1.00 0.00 WT3 H ATOM 38490 H2 TIP3 1887 89.966 71.771 -7.287 1.00 0.00 WT3 H ATOM 38491 OH2 TIP3 1888 59.079 92.482 47.401 1.00 0.00 WT3 O ATOM 38492 H1 TIP3 1888 58.275 92.282 47.880 1.00 0.00 WT3 H ATOM 38493 H2 TIP3 1888 58.991 93.403 47.157 1.00 0.00 WT3 H ATOM 38494 OH2 TIP3 1889 38.155 65.376 47.553 1.00 0.00 WT3 O ATOM 38495 H1 TIP3 1889 38.792 64.707 47.801 1.00 0.00 WT3 H ATOM 38496 H2 TIP3 1889 37.602 64.950 46.898 1.00 0.00 WT3 H ATOM 38497 OH2 TIP3 1890 74.320 56.452 14.891 1.00 0.00 WT3 O ATOM 38498 H1 TIP3 1890 73.792 56.559 15.682 1.00 0.00 WT3 H ATOM 38499 H2 TIP3 1890 74.668 55.562 14.953 1.00 0.00 WT3 H ATOM 38500 OH2 TIP3 1891 26.005 33.013 -13.735 1.00 0.00 WT3 O ATOM 38501 H1 TIP3 1891 26.290 32.397 -14.411 1.00 0.00 WT3 H ATOM 38502 H2 TIP3 1891 26.674 32.949 -13.054 1.00 0.00 WT3 H ATOM 38503 OH2 TIP3 1893 45.968 5.736 32.984 1.00 0.00 WT3 O ATOM 38504 H1 TIP3 1893 46.545 5.247 32.398 1.00 0.00 WT3 H ATOM 38505 H2 TIP3 1893 45.185 5.190 33.060 1.00 0.00 WT3 H ATOM 38506 OH2 TIP3 1894 20.111 88.118 -7.991 1.00 0.00 WT3 O ATOM 38507 H1 TIP3 1894 20.322 88.971 -7.611 1.00 0.00 WT3 H ATOM 38508 H2 TIP3 1894 20.866 87.568 -7.781 1.00 0.00 WT3 H ATOM 38509 OH2 TIP3 1895 46.208 17.696 49.365 1.00 0.00 WT3 O ATOM 38510 H1 TIP3 1895 45.325 18.032 49.211 1.00 0.00 WT3 H ATOM 38511 H2 TIP3 1895 46.189 17.374 50.267 1.00 0.00 WT3 H ATOM 38512 OH2 TIP3 1896 75.599 66.352 65.830 1.00 0.00 WT3 O ATOM 38513 H1 TIP3 1896 75.806 65.719 66.518 1.00 0.00 WT3 H ATOM 38514 H2 TIP3 1896 76.007 65.992 65.042 1.00 0.00 WT3 H ATOM 38515 OH2 TIP3 1897 34.959 73.700 16.230 1.00 0.00 WT3 O ATOM 38516 H1 TIP3 1897 35.093 73.547 17.165 1.00 0.00 WT3 H ATOM 38517 H2 TIP3 1897 34.578 72.883 15.906 1.00 0.00 WT3 H ATOM 38518 OH2 TIP3 1898 86.510 67.181 26.576 1.00 0.00 WT3 O ATOM 38519 H1 TIP3 1898 85.623 66.907 26.809 1.00 0.00 WT3 H ATOM 38520 H2 TIP3 1898 87.074 66.488 26.919 1.00 0.00 WT3 H ATOM 38521 OH2 TIP3 1899 30.528 75.175 -0.288 1.00 0.00 WT3 O ATOM 38522 H1 TIP3 1899 29.755 75.451 0.205 1.00 0.00 WT3 H ATOM 38523 H2 TIP3 1899 31.267 75.525 0.209 1.00 0.00 WT3 H ATOM 38524 OH2 TIP3 1900 53.735 62.242 55.078 1.00 0.00 WT3 O ATOM 38525 H1 TIP3 1900 54.388 61.750 54.580 1.00 0.00 WT3 H ATOM 38526 H2 TIP3 1900 53.027 62.401 54.454 1.00 0.00 WT3 H ATOM 38527 OH2 TIP3 1901 27.997 86.180 62.317 1.00 0.00 WT3 O ATOM 38528 H1 TIP3 1901 28.396 86.504 63.124 1.00 0.00 WT3 H ATOM 38529 H2 TIP3 1901 27.536 86.938 61.957 1.00 0.00 WT3 H ATOM 38530 OH2 TIP3 1902 29.687 63.239 26.023 1.00 0.00 WT3 O ATOM 38531 H1 TIP3 1902 29.708 62.287 26.121 1.00 0.00 WT3 H ATOM 38532 H2 TIP3 1902 29.776 63.574 26.916 1.00 0.00 WT3 H ATOM 38533 OH2 TIP3 1903 51.094 23.572 20.986 1.00 0.00 WT3 O ATOM 38534 H1 TIP3 1903 51.079 23.958 20.111 1.00 0.00 WT3 H ATOM 38535 H2 TIP3 1903 51.013 24.320 21.579 1.00 0.00 WT3 H ATOM 38536 OH2 TIP3 1904 65.076 54.833 -12.250 1.00 0.00 WT3 O ATOM 38537 H1 TIP3 1904 64.144 54.792 -12.038 1.00 0.00 WT3 H ATOM 38538 H2 TIP3 1904 65.108 54.782 -13.205 1.00 0.00 WT3 H ATOM 38539 OH2 TIP3 1905 22.605 91.800 39.738 1.00 0.00 WT3 O ATOM 38540 H1 TIP3 1905 23.495 91.463 39.845 1.00 0.00 WT3 H ATOM 38541 H2 TIP3 1905 22.045 91.028 39.820 1.00 0.00 WT3 H ATOM 38542 OH2 TIP3 1906 34.124 78.281 -6.762 1.00 0.00 WT3 O ATOM 38543 H1 TIP3 1906 33.577 77.530 -6.992 1.00 0.00 WT3 H ATOM 38544 H2 TIP3 1906 34.818 77.914 -6.214 1.00 0.00 WT3 H ATOM 38545 OH2 TIP3 1907 88.989 88.114 9.942 1.00 0.00 WT3 O ATOM 38546 H1 TIP3 1907 89.194 88.315 10.855 1.00 0.00 WT3 H ATOM 38547 H2 TIP3 1907 89.783 87.702 9.602 1.00 0.00 WT3 H ATOM 38548 OH2 TIP3 1908 36.215 23.182 17.782 1.00 0.00 WT3 O ATOM 38549 H1 TIP3 1908 35.645 23.027 17.028 1.00 0.00 WT3 H ATOM 38550 H2 TIP3 1908 36.521 22.310 18.034 1.00 0.00 WT3 H ATOM 38551 OH2 TIP3 1909 63.547 87.972 -12.012 1.00 0.00 WT3 O ATOM 38552 H1 TIP3 1909 64.150 87.230 -11.969 1.00 0.00 WT3 H ATOM 38553 H2 TIP3 1909 62.761 87.669 -11.558 1.00 0.00 WT3 H ATOM 38554 OH2 TIP3 1911 73.792 30.431 -10.489 1.00 0.00 WT3 O ATOM 38555 H1 TIP3 1911 74.306 31.238 -10.524 1.00 0.00 WT3 H ATOM 38556 H2 TIP3 1911 74.184 29.927 -9.776 1.00 0.00 WT3 H ATOM 38557 OH2 TIP3 1912 57.098 91.964 11.506 1.00 0.00 WT3 O ATOM 38558 H1 TIP3 1912 57.179 92.877 11.782 1.00 0.00 WT3 H ATOM 38559 H2 TIP3 1912 56.171 91.858 11.292 1.00 0.00 WT3 H ATOM 38560 OH2 TIP3 1914 84.665 59.478 -6.263 1.00 0.00 WT3 O ATOM 38561 H1 TIP3 1914 85.052 58.643 -6.000 1.00 0.00 WT3 H ATOM 38562 H2 TIP3 1914 83.738 59.395 -6.042 1.00 0.00 WT3 H ATOM 38563 OH2 TIP3 1915 52.712 7.232 64.405 1.00 0.00 WT3 O ATOM 38564 H1 TIP3 1915 53.473 6.937 64.905 1.00 0.00 WT3 H ATOM 38565 H2 TIP3 1915 51.959 6.941 64.920 1.00 0.00 WT3 H ATOM 38566 OH2 TIP3 1917 48.485 20.414 39.013 1.00 0.00 WT3 O ATOM 38567 H1 TIP3 1917 48.844 20.196 38.153 1.00 0.00 WT3 H ATOM 38568 H2 TIP3 1917 48.349 21.361 38.983 1.00 0.00 WT3 H ATOM 38569 OH2 TIP3 1919 87.599 40.360 40.597 1.00 0.00 WT3 O ATOM 38570 H1 TIP3 1919 86.840 40.516 40.035 1.00 0.00 WT3 H ATOM 38571 H2 TIP3 1919 87.226 40.061 41.426 1.00 0.00 WT3 H ATOM 38572 OH2 TIP3 1920 24.736 74.131 -12.618 1.00 0.00 WT3 O ATOM 38573 H1 TIP3 1920 25.153 74.905 -12.238 1.00 0.00 WT3 H ATOM 38574 H2 TIP3 1920 25.456 73.640 -13.013 1.00 0.00 WT3 H ATOM 38575 OH2 TIP3 1921 20.297 71.955 29.009 1.00 0.00 WT3 O ATOM 38576 H1 TIP3 1921 20.133 72.505 28.243 1.00 0.00 WT3 H ATOM 38577 H2 TIP3 1921 20.971 72.423 29.502 1.00 0.00 WT3 H ATOM 38578 OH2 TIP3 1922 25.889 69.611 40.341 1.00 0.00 WT3 O ATOM 38579 H1 TIP3 1922 25.999 68.700 40.068 1.00 0.00 WT3 H ATOM 38580 H2 TIP3 1922 25.426 70.025 39.613 1.00 0.00 WT3 H ATOM 38581 OH2 TIP3 1923 47.247 52.687 47.766 1.00 0.00 WT3 O ATOM 38582 H1 TIP3 1923 47.740 52.279 47.054 1.00 0.00 WT3 H ATOM 38583 H2 TIP3 1923 47.092 53.583 47.467 1.00 0.00 WT3 H ATOM 38584 OH2 TIP3 1925 23.775 56.482 6.130 1.00 0.00 WT3 O ATOM 38585 H1 TIP3 1925 24.613 56.929 6.012 1.00 0.00 WT3 H ATOM 38586 H2 TIP3 1925 23.288 57.043 6.734 1.00 0.00 WT3 H ATOM 38587 OH2 TIP3 1926 20.954 57.531 56.614 1.00 0.00 WT3 O ATOM 38588 H1 TIP3 1926 20.268 57.650 55.957 1.00 0.00 WT3 H ATOM 38589 H2 TIP3 1926 21.688 57.155 56.129 1.00 0.00 WT3 H ATOM 38590 OH2 TIP3 1927 23.179 29.031 44.485 1.00 0.00 WT3 O ATOM 38591 H1 TIP3 1927 23.773 29.580 44.996 1.00 0.00 WT3 H ATOM 38592 H2 TIP3 1927 23.411 28.135 44.729 1.00 0.00 WT3 H ATOM 38593 OH2 TIP3 1928 75.981 75.982 -0.987 1.00 0.00 WT3 O ATOM 38594 H1 TIP3 1928 76.042 75.417 -0.216 1.00 0.00 WT3 H ATOM 38595 H2 TIP3 1928 75.044 76.158 -1.081 1.00 0.00 WT3 H ATOM 38596 OH2 TIP3 1929 74.309 83.763 21.046 1.00 0.00 WT3 O ATOM 38597 H1 TIP3 1929 73.984 83.902 20.156 1.00 0.00 WT3 H ATOM 38598 H2 TIP3 1929 74.800 82.943 20.997 1.00 0.00 WT3 H ATOM 38599 OH2 TIP3 1930 29.733 1.051 56.835 1.00 0.00 WT3 O ATOM 38600 H1 TIP3 1930 28.877 0.670 57.029 1.00 0.00 WT3 H ATOM 38601 H2 TIP3 1930 29.546 1.768 56.230 1.00 0.00 WT3 H ATOM 38602 OH2 TIP3 1931 26.602 64.707 63.359 1.00 0.00 WT3 O ATOM 38603 H1 TIP3 1931 26.532 64.023 62.693 1.00 0.00 WT3 H ATOM 38604 H2 TIP3 1931 27.279 65.297 63.027 1.00 0.00 WT3 H ATOM 38605 OH2 TIP3 1932 60.040 46.848 -4.354 1.00 0.00 WT3 O ATOM 38606 H1 TIP3 1932 59.391 47.401 -3.919 1.00 0.00 WT3 H ATOM 38607 H2 TIP3 1932 59.666 45.968 -4.320 1.00 0.00 WT3 H ATOM 38608 OH2 TIP3 1935 75.674 28.075 -12.459 1.00 0.00 WT3 O ATOM 38609 H1 TIP3 1935 74.933 28.681 -12.434 1.00 0.00 WT3 H ATOM 38610 H2 TIP3 1935 75.317 27.247 -12.138 1.00 0.00 WT3 H ATOM 38611 OH2 TIP3 1936 79.418 81.982 -12.685 1.00 0.00 WT3 O ATOM 38612 H1 TIP3 1936 80.192 82.149 -12.148 1.00 0.00 WT3 H ATOM 38613 H2 TIP3 1936 79.096 82.852 -12.920 1.00 0.00 WT3 H ATOM 38614 OH2 TIP3 1937 39.100 95.336 45.831 1.00 0.00 WT3 O ATOM 38615 H1 TIP3 1937 39.809 94.694 45.811 1.00 0.00 WT3 H ATOM 38616 H2 TIP3 1937 39.534 96.177 45.681 1.00 0.00 WT3 H ATOM 38617 OH2 TIP3 1938 27.006 77.626 58.887 1.00 0.00 WT3 O ATOM 38618 H1 TIP3 1938 27.834 77.944 59.246 1.00 0.00 WT3 H ATOM 38619 H2 TIP3 1938 27.046 76.676 58.997 1.00 0.00 WT3 H ATOM 38620 OH2 TIP3 1940 54.820 3.166 56.463 1.00 0.00 WT3 O ATOM 38621 H1 TIP3 1940 54.039 3.357 56.983 1.00 0.00 WT3 H ATOM 38622 H2 TIP3 1940 54.776 2.224 56.301 1.00 0.00 WT3 H ATOM 38623 OH2 TIP3 1941 30.149 43.432 -17.100 1.00 0.00 WT3 O ATOM 38624 H1 TIP3 1941 31.074 43.580 -16.907 1.00 0.00 WT3 H ATOM 38625 H2 TIP3 1941 29.692 43.688 -16.298 1.00 0.00 WT3 H ATOM 38626 OH2 TIP3 1943 33.866 38.922 17.992 1.00 0.00 WT3 O ATOM 38627 H1 TIP3 1943 33.973 38.146 17.442 1.00 0.00 WT3 H ATOM 38628 H2 TIP3 1943 33.244 38.653 18.668 1.00 0.00 WT3 H ATOM 38629 OH2 TIP3 1944 87.839 0.359 10.340 1.00 0.00 WT3 O ATOM 38630 H1 TIP3 1944 86.894 0.393 10.485 1.00 0.00 WT3 H ATOM 38631 H2 TIP3 1944 88.165 -0.235 11.016 1.00 0.00 WT3 H ATOM 38632 OH2 TIP3 1945 31.334 77.486 11.362 1.00 0.00 WT3 O ATOM 38633 H1 TIP3 1945 30.690 77.599 12.061 1.00 0.00 WT3 H ATOM 38634 H2 TIP3 1945 31.975 76.873 11.723 1.00 0.00 WT3 H ATOM 38635 OH2 TIP3 1947 33.289 41.614 43.716 1.00 0.00 WT3 O ATOM 38636 H1 TIP3 1947 32.780 40.820 43.878 1.00 0.00 WT3 H ATOM 38637 H2 TIP3 1947 33.107 41.833 42.802 1.00 0.00 WT3 H ATOM 38638 OH2 TIP3 1948 60.086 88.796 23.261 1.00 0.00 WT3 O ATOM 38639 H1 TIP3 1948 60.790 88.414 23.784 1.00 0.00 WT3 H ATOM 38640 H2 TIP3 1948 59.335 88.825 23.853 1.00 0.00 WT3 H ATOM 38641 OH2 TIP3 1949 25.740 53.942 17.712 1.00 0.00 WT3 O ATOM 38642 H1 TIP3 1949 26.686 54.016 17.842 1.00 0.00 WT3 H ATOM 38643 H2 TIP3 1949 25.498 54.748 17.256 1.00 0.00 WT3 H ATOM 38644 OH2 TIP3 1950 23.704 80.953 54.644 1.00 0.00 WT3 O ATOM 38645 H1 TIP3 1950 23.667 80.255 55.298 1.00 0.00 WT3 H ATOM 38646 H2 TIP3 1950 23.194 81.667 55.026 1.00 0.00 WT3 H ATOM 38647 OH2 TIP3 1951 88.569 82.047 59.373 1.00 0.00 WT3 O ATOM 38648 H1 TIP3 1951 89.461 81.803 59.128 1.00 0.00 WT3 H ATOM 38649 H2 TIP3 1951 88.453 81.684 60.251 1.00 0.00 WT3 H ATOM 38650 OH2 TIP3 1952 90.689 81.859 -1.750 1.00 0.00 WT3 O ATOM 38651 H1 TIP3 1952 90.315 82.324 -1.001 1.00 0.00 WT3 H ATOM 38652 H2 TIP3 1952 90.191 81.043 -1.799 1.00 0.00 WT3 H ATOM 38653 OH2 TIP3 1954 23.605 91.595 65.102 1.00 0.00 WT3 O ATOM 38654 H1 TIP3 1954 22.995 92.309 64.915 1.00 0.00 WT3 H ATOM 38655 H2 TIP3 1954 23.592 91.511 66.055 1.00 0.00 WT3 H ATOM 38656 OH2 TIP3 1955 65.583 89.844 61.832 1.00 0.00 WT3 O ATOM 38657 H1 TIP3 1955 64.690 89.699 61.520 1.00 0.00 WT3 H ATOM 38658 H2 TIP3 1955 65.725 89.157 62.483 1.00 0.00 WT3 H ATOM 38659 OH2 TIP3 1956 29.945 27.318 61.212 1.00 0.00 WT3 O ATOM 38660 H1 TIP3 1956 30.481 28.100 61.081 1.00 0.00 WT3 H ATOM 38661 H2 TIP3 1956 29.605 27.407 62.103 1.00 0.00 WT3 H ATOM 38662 OH2 TIP3 1957 27.429 93.043 52.284 1.00 0.00 WT3 O ATOM 38663 H1 TIP3 1957 26.923 93.041 51.471 1.00 0.00 WT3 H ATOM 38664 H2 TIP3 1957 27.382 92.140 52.598 1.00 0.00 WT3 H ATOM 38665 OH2 TIP3 1958 40.456 36.656 47.212 1.00 0.00 WT3 O ATOM 38666 H1 TIP3 1958 40.187 36.685 46.294 1.00 0.00 WT3 H ATOM 38667 H2 TIP3 1958 39.783 36.128 47.643 1.00 0.00 WT3 H ATOM 38668 OH2 TIP3 1960 65.173 81.540 65.598 1.00 0.00 WT3 O ATOM 38669 H1 TIP3 1960 65.931 81.405 66.166 1.00 0.00 WT3 H ATOM 38670 H2 TIP3 1960 65.381 81.054 64.800 1.00 0.00 WT3 H ATOM 38671 OH2 TIP3 1961 65.343 15.116 25.711 1.00 0.00 WT3 O ATOM 38672 H1 TIP3 1961 64.634 15.571 26.165 1.00 0.00 WT3 H ATOM 38673 H2 TIP3 1961 66.084 15.721 25.758 1.00 0.00 WT3 H ATOM 38674 OH2 TIP3 1962 31.564 19.211 30.354 1.00 0.00 WT3 O ATOM 38675 H1 TIP3 1962 31.714 18.403 29.863 1.00 0.00 WT3 H ATOM 38676 H2 TIP3 1962 31.553 19.899 29.689 1.00 0.00 WT3 H ATOM 38677 OH2 TIP3 1965 67.034 10.501 5.433 1.00 0.00 WT3 O ATOM 38678 H1 TIP3 1965 67.048 10.096 6.300 1.00 0.00 WT3 H ATOM 38679 H2 TIP3 1965 67.266 11.416 5.592 1.00 0.00 WT3 H ATOM 38680 OH2 TIP3 1966 82.037 79.148 -0.567 1.00 0.00 WT3 O ATOM 38681 H1 TIP3 1966 81.630 79.009 -1.422 1.00 0.00 WT3 H ATOM 38682 H2 TIP3 1966 81.324 79.023 0.060 1.00 0.00 WT3 H ATOM 38683 OH2 TIP3 1967 87.115 80.976 26.899 1.00 0.00 WT3 O ATOM 38684 H1 TIP3 1967 87.071 80.269 26.256 1.00 0.00 WT3 H ATOM 38685 H2 TIP3 1967 88.050 81.085 27.072 1.00 0.00 WT3 H ATOM 38686 OH2 TIP3 1969 27.846 59.372 -0.984 1.00 0.00 WT3 O ATOM 38687 H1 TIP3 1969 27.689 59.050 -1.872 1.00 0.00 WT3 H ATOM 38688 H2 TIP3 1969 27.286 60.144 -0.907 1.00 0.00 WT3 H ATOM 38689 OH2 TIP3 1970 35.542 93.635 2.636 1.00 0.00 WT3 O ATOM 38690 H1 TIP3 1970 35.017 93.715 3.432 1.00 0.00 WT3 H ATOM 38691 H2 TIP3 1970 36.319 94.168 2.806 1.00 0.00 WT3 H ATOM 38692 OH2 TIP3 1971 61.413 55.945 32.518 1.00 0.00 WT3 O ATOM 38693 H1 TIP3 1971 60.479 56.141 32.592 1.00 0.00 WT3 H ATOM 38694 H2 TIP3 1971 61.647 56.225 31.633 1.00 0.00 WT3 H ATOM 38695 OH2 TIP3 1973 87.275 89.001 31.009 1.00 0.00 WT3 O ATOM 38696 H1 TIP3 1973 87.350 88.238 30.435 1.00 0.00 WT3 H ATOM 38697 H2 TIP3 1973 86.509 89.472 30.682 1.00 0.00 WT3 H ATOM 38698 OH2 TIP3 1974 24.271 74.479 -2.607 1.00 0.00 WT3 O ATOM 38699 H1 TIP3 1974 23.845 74.807 -1.816 1.00 0.00 WT3 H ATOM 38700 H2 TIP3 1974 25.207 74.581 -2.436 1.00 0.00 WT3 H ATOM 38701 OH2 TIP3 1977 21.374 19.957 0.824 1.00 0.00 WT3 O ATOM 38702 H1 TIP3 1977 20.963 20.151 1.666 1.00 0.00 WT3 H ATOM 38703 H2 TIP3 1977 22.280 20.247 0.926 1.00 0.00 WT3 H ATOM 38704 OH2 TIP3 1982 60.766 16.050 37.803 1.00 0.00 WT3 O ATOM 38705 H1 TIP3 1982 60.390 16.515 37.057 1.00 0.00 WT3 H ATOM 38706 H2 TIP3 1982 60.069 15.464 38.098 1.00 0.00 WT3 H ATOM 38707 OH2 TIP3 1983 52.654 76.929 0.830 1.00 0.00 WT3 O ATOM 38708 H1 TIP3 1983 53.403 76.751 0.261 1.00 0.00 WT3 H ATOM 38709 H2 TIP3 1983 53.023 76.953 1.712 1.00 0.00 WT3 H ATOM 38710 OH2 TIP3 1987 22.949 62.585 65.469 1.00 0.00 WT3 O ATOM 38711 H1 TIP3 1987 22.458 61.796 65.238 1.00 0.00 WT3 H ATOM 38712 H2 TIP3 1987 23.235 62.944 64.629 1.00 0.00 WT3 H ATOM 38713 OH2 TIP3 1988 36.977 2.247 34.706 1.00 0.00 WT3 O ATOM 38714 H1 TIP3 1988 37.359 1.371 34.655 1.00 0.00 WT3 H ATOM 38715 H2 TIP3 1988 36.328 2.267 34.003 1.00 0.00 WT3 H ATOM 38716 OH2 TIP3 1991 24.496 88.797 41.240 1.00 0.00 WT3 O ATOM 38717 H1 TIP3 1991 23.587 89.069 41.114 1.00 0.00 WT3 H ATOM 38718 H2 TIP3 1991 24.573 87.981 40.746 1.00 0.00 WT3 H ATOM 38719 OH2 TIP3 1993 71.541 95.844 -7.200 1.00 0.00 WT3 O ATOM 38720 H1 TIP3 1993 71.142 95.576 -6.373 1.00 0.00 WT3 H ATOM 38721 H2 TIP3 1993 72.138 96.553 -6.960 1.00 0.00 WT3 H ATOM 38722 OH2 TIP3 1994 21.814 74.277 -1.585 1.00 0.00 WT3 O ATOM 38723 H1 TIP3 1994 22.302 73.495 -1.842 1.00 0.00 WT3 H ATOM 38724 H2 TIP3 1994 21.459 74.619 -2.406 1.00 0.00 WT3 H ATOM 38725 OH2 TIP3 1995 28.837 37.920 7.626 1.00 0.00 WT3 O ATOM 38726 H1 TIP3 1995 29.180 38.032 6.739 1.00 0.00 WT3 H ATOM 38727 H2 TIP3 1995 28.244 38.662 7.748 1.00 0.00 WT3 H ATOM 38728 OH2 TIP3 1997 69.866 29.080 44.169 1.00 0.00 WT3 O ATOM 38729 H1 TIP3 1997 69.419 28.285 43.877 1.00 0.00 WT3 H ATOM 38730 H2 TIP3 1997 69.690 29.721 43.480 1.00 0.00 WT3 H ATOM 38731 OH2 TIP3 2002 48.899 67.247 -7.415 1.00 0.00 WT3 O ATOM 38732 H1 TIP3 2002 49.240 66.628 -6.769 1.00 0.00 WT3 H ATOM 38733 H2 TIP3 2002 48.616 68.001 -6.897 1.00 0.00 WT3 H ATOM 38734 OH2 TIP3 2003 35.703 26.024 39.323 1.00 0.00 WT3 O ATOM 38735 H1 TIP3 2003 36.291 25.842 40.056 1.00 0.00 WT3 H ATOM 38736 H2 TIP3 2003 36.262 25.970 38.548 1.00 0.00 WT3 H ATOM 38737 OH2 TIP3 2008 67.401 67.469 27.098 1.00 0.00 WT3 O ATOM 38738 H1 TIP3 2008 68.217 67.756 26.689 1.00 0.00 WT3 H ATOM 38739 H2 TIP3 2008 66.903 67.068 26.386 1.00 0.00 WT3 H ATOM 38740 OH2 TIP3 2009 73.629 11.299 44.648 1.00 0.00 WT3 O ATOM 38741 H1 TIP3 2009 73.818 10.826 45.459 1.00 0.00 WT3 H ATOM 38742 H2 TIP3 2009 73.247 10.639 44.069 1.00 0.00 WT3 H ATOM 38743 OH2 TIP3 2012 87.187 7.426 47.128 1.00 0.00 WT3 O ATOM 38744 H1 TIP3 2012 87.449 6.794 47.797 1.00 0.00 WT3 H ATOM 38745 H2 TIP3 2012 87.186 8.269 47.581 1.00 0.00 WT3 H ATOM 38746 OH2 TIP3 2020 35.757 49.278 66.915 1.00 0.00 WT3 O ATOM 38747 H1 TIP3 2020 36.425 48.594 66.958 1.00 0.00 WT3 H ATOM 38748 H2 TIP3 2020 34.930 48.815 67.054 1.00 0.00 WT3 H ATOM 38749 OH2 TIP3 2021 25.637 62.075 51.793 1.00 0.00 WT3 O ATOM 38750 H1 TIP3 2021 25.117 62.836 51.536 1.00 0.00 WT3 H ATOM 38751 H2 TIP3 2021 26.543 62.384 51.767 1.00 0.00 WT3 H ATOM 38752 OH2 TIP3 2028 43.707 4.330 52.346 1.00 0.00 WT3 O ATOM 38753 H1 TIP3 2028 43.442 4.737 51.521 1.00 0.00 WT3 H ATOM 38754 H2 TIP3 2028 43.931 3.430 52.109 1.00 0.00 WT3 H ATOM 38755 OH2 TIP3 2035 65.254 69.133 45.818 1.00 0.00 WT3 O ATOM 38756 H1 TIP3 2035 65.034 68.632 46.604 1.00 0.00 WT3 H ATOM 38757 H2 TIP3 2035 64.989 70.030 46.023 1.00 0.00 WT3 H ATOM 38758 OH2 TIP3 2049 77.481 90.582 46.381 1.00 0.00 WT3 O ATOM 38759 H1 TIP3 2049 77.470 91.121 45.590 1.00 0.00 WT3 H ATOM 38760 H2 TIP3 2049 77.324 89.691 46.067 1.00 0.00 WT3 H ATOM 38761 OH2 TIP3 2105 89.668 95.916 30.607 1.00 0.00 WT3 O ATOM 38762 H1 TIP3 2105 90.355 96.581 30.548 1.00 0.00 WT3 H ATOM 38763 H2 TIP3 2105 90.077 95.119 30.272 1.00 0.00 WT3 H ATOM 38764 OH2 TIP3 2123 84.769 81.078 12.286 1.00 0.00 WT3 O ATOM 38765 H1 TIP3 2123 84.402 81.852 11.858 1.00 0.00 WT3 H ATOM 38766 H2 TIP3 2123 84.007 80.545 12.513 1.00 0.00 WT3 H ATOM 38767 OH2 TIP3 2127 53.898 66.006 -7.513 1.00 0.00 WT3 O ATOM 38768 H1 TIP3 2127 53.508 66.256 -6.676 1.00 0.00 WT3 H ATOM 38769 H2 TIP3 2127 54.743 65.621 -7.278 1.00 0.00 WT3 H ATOM 38770 OH2 TIP3 2133 69.499 16.625 38.757 1.00 0.00 WT3 O ATOM 38771 H1 TIP3 2133 68.591 16.417 38.977 1.00 0.00 WT3 H ATOM 38772 H2 TIP3 2133 69.984 15.823 38.952 1.00 0.00 WT3 H ATOM 38773 OH2 TIP3 2145 29.863 85.320 5.270 1.00 0.00 WT3 O ATOM 38774 H1 TIP3 2145 29.941 85.124 4.337 1.00 0.00 WT3 H ATOM 38775 H2 TIP3 2145 28.994 85.711 5.362 1.00 0.00 WT3 H ATOM 38776 OH2 TIP3 2147 26.338 74.875 -8.189 1.00 0.00 WT3 O ATOM 38777 H1 TIP3 2147 26.499 75.027 -9.120 1.00 0.00 WT3 H ATOM 38778 H2 TIP3 2147 26.398 73.925 -8.087 1.00 0.00 WT3 H ATOM 38779 OH2 TIP3 2151 25.009 86.363 66.325 1.00 0.00 WT3 O ATOM 38780 H1 TIP3 2151 25.959 86.348 66.441 1.00 0.00 WT3 H ATOM 38781 H2 TIP3 2151 24.658 86.338 67.215 1.00 0.00 WT3 H ATOM 38782 OH2 TIP3 2163 59.933 36.119 45.637 1.00 0.00 WT3 O ATOM 38783 H1 TIP3 2163 60.775 36.530 45.832 1.00 0.00 WT3 H ATOM 38784 H2 TIP3 2163 59.450 36.784 45.146 1.00 0.00 WT3 H ATOM 38785 OH2 TIP3 2165 59.097 24.643 59.857 1.00 0.00 WT3 O ATOM 38786 H1 TIP3 2165 58.426 24.679 59.176 1.00 0.00 WT3 H ATOM 38787 H2 TIP3 2165 58.729 25.145 60.584 1.00 0.00 WT3 H ATOM 38788 OH2 TIP3 2167 37.414 96.003 -2.331 1.00 0.00 WT3 O ATOM 38789 H1 TIP3 2167 36.669 96.569 -2.128 1.00 0.00 WT3 H ATOM 38790 H2 TIP3 2167 38.151 96.404 -1.871 1.00 0.00 WT3 H ATOM 38791 OH2 TIP3 2172 30.895 8.053 7.240 1.00 0.00 WT3 O ATOM 38792 H1 TIP3 2172 30.904 7.378 7.918 1.00 0.00 WT3 H ATOM 38793 H2 TIP3 2172 31.143 8.856 7.697 1.00 0.00 WT3 H ATOM 38794 OH2 TIP3 2180 54.497 24.410 30.918 1.00 0.00 WT3 O ATOM 38795 H1 TIP3 2180 54.202 23.500 30.901 1.00 0.00 WT3 H ATOM 38796 H2 TIP3 2180 54.471 24.688 30.002 1.00 0.00 WT3 H ATOM 38797 OH2 TIP3 2184 42.233 23.260 46.494 1.00 0.00 WT3 O ATOM 38798 H1 TIP3 2184 41.994 23.022 45.597 1.00 0.00 WT3 H ATOM 38799 H2 TIP3 2184 42.391 24.203 46.458 1.00 0.00 WT3 H ATOM 38800 OH2 TIP3 2185 59.072 65.825 42.648 1.00 0.00 WT3 O ATOM 38801 H1 TIP3 2185 58.471 65.639 43.370 1.00 0.00 WT3 H ATOM 38802 H2 TIP3 2185 58.783 65.248 41.941 1.00 0.00 WT3 H ATOM 38803 OH2 TIP3 2186 27.699 71.252 56.879 1.00 0.00 WT3 O ATOM 38804 H1 TIP3 2186 28.269 71.822 57.396 1.00 0.00 WT3 H ATOM 38805 H2 TIP3 2186 28.055 71.299 55.991 1.00 0.00 WT3 H ATOM 38806 OH2 TIP3 2187 33.448 74.106 13.051 1.00 0.00 WT3 O ATOM 38807 H1 TIP3 2187 34.394 74.179 13.178 1.00 0.00 WT3 H ATOM 38808 H2 TIP3 2187 33.276 73.164 13.068 1.00 0.00 WT3 H ATOM 38809 OH2 TIP3 2197 22.038 44.370 54.925 1.00 0.00 WT3 O ATOM 38810 H1 TIP3 2197 22.470 44.200 54.088 1.00 0.00 WT3 H ATOM 38811 H2 TIP3 2197 22.653 44.927 55.403 1.00 0.00 WT3 H ATOM 38812 OH2 TIP3 2198 38.695 53.165 -14.496 1.00 0.00 WT3 O ATOM 38813 H1 TIP3 2198 39.244 53.664 -13.892 1.00 0.00 WT3 H ATOM 38814 H2 TIP3 2198 39.296 52.543 -14.908 1.00 0.00 WT3 H ATOM 38815 OH2 TIP3 2200 40.693 81.962 34.795 1.00 0.00 WT3 O ATOM 38816 H1 TIP3 2200 41.470 82.343 34.386 1.00 0.00 WT3 H ATOM 38817 H2 TIP3 2200 40.469 81.216 34.239 1.00 0.00 WT3 H ATOM 38818 OH2 TIP3 2201 45.267 85.064 58.331 1.00 0.00 WT3 O ATOM 38819 H1 TIP3 2201 44.816 85.853 58.631 1.00 0.00 WT3 H ATOM 38820 H2 TIP3 2201 46.186 85.215 58.551 1.00 0.00 WT3 H ATOM 38821 OH2 TIP3 2203 77.518 92.093 27.699 1.00 0.00 WT3 O ATOM 38822 H1 TIP3 2203 78.331 92.493 28.008 1.00 0.00 WT3 H ATOM 38823 H2 TIP3 2203 76.962 92.834 27.459 1.00 0.00 WT3 H ATOM 38824 OH2 TIP3 2208 24.678 93.698 62.921 1.00 0.00 WT3 O ATOM 38825 H1 TIP3 2208 23.895 94.247 62.884 1.00 0.00 WT3 H ATOM 38826 H2 TIP3 2208 25.165 94.024 63.678 1.00 0.00 WT3 H ATOM 38827 OH2 TIP3 2211 75.356 77.874 56.147 1.00 0.00 WT3 O ATOM 38828 H1 TIP3 2211 75.506 77.521 55.270 1.00 0.00 WT3 H ATOM 38829 H2 TIP3 2211 74.404 77.938 56.221 1.00 0.00 WT3 H ATOM 38830 OH2 TIP3 2212 77.023 26.978 -18.125 1.00 0.00 WT3 O ATOM 38831 H1 TIP3 2212 77.594 27.398 -17.482 1.00 0.00 WT3 H ATOM 38832 H2 TIP3 2212 77.181 27.459 -18.937 1.00 0.00 WT3 H ATOM 38833 OH2 TIP3 2213 56.454 15.831 65.465 1.00 0.00 WT3 O ATOM 38834 H1 TIP3 2213 56.516 16.755 65.221 1.00 0.00 WT3 H ATOM 38835 H2 TIP3 2213 56.848 15.787 66.336 1.00 0.00 WT3 H ATOM 38836 OH2 TIP3 2217 79.481 75.093 0.846 1.00 0.00 WT3 O ATOM 38837 H1 TIP3 2217 79.088 74.944 -0.014 1.00 0.00 WT3 H ATOM 38838 H2 TIP3 2217 78.820 75.590 1.328 1.00 0.00 WT3 H ATOM 38839 OH2 TIP3 2219 74.094 36.979 27.400 1.00 0.00 WT3 O ATOM 38840 H1 TIP3 2219 74.950 37.152 27.793 1.00 0.00 WT3 H ATOM 38841 H2 TIP3 2219 74.076 36.031 27.269 1.00 0.00 WT3 H ATOM 38842 OH2 TIP3 2227 84.806 83.739 -1.640 1.00 0.00 WT3 O ATOM 38843 H1 TIP3 2227 84.751 83.534 -0.707 1.00 0.00 WT3 H ATOM 38844 H2 TIP3 2227 85.725 83.595 -1.864 1.00 0.00 WT3 H ATOM 38845 OH2 TIP3 2229 65.949 20.815 -3.592 1.00 0.00 WT3 O ATOM 38846 H1 TIP3 2229 66.254 20.194 -2.931 1.00 0.00 WT3 H ATOM 38847 H2 TIP3 2229 66.316 21.656 -3.320 1.00 0.00 WT3 H ATOM 38848 OH2 TIP3 2231 71.124 95.462 47.213 1.00 0.00 WT3 O ATOM 38849 H1 TIP3 2231 71.114 94.505 47.194 1.00 0.00 WT3 H ATOM 38850 H2 TIP3 2231 70.334 95.700 47.699 1.00 0.00 WT3 H ATOM 38851 OH2 TIP3 2232 29.953 81.505 37.791 1.00 0.00 WT3 O ATOM 38852 H1 TIP3 2232 30.382 81.640 38.636 1.00 0.00 WT3 H ATOM 38853 H2 TIP3 2232 30.541 80.919 37.315 1.00 0.00 WT3 H ATOM 38854 OH2 TIP3 2234 45.743 14.241 8.381 1.00 0.00 WT3 O ATOM 38855 H1 TIP3 2234 46.673 14.105 8.199 1.00 0.00 WT3 H ATOM 38856 H2 TIP3 2234 45.703 14.398 9.324 1.00 0.00 WT3 H ATOM 38857 OH2 TIP3 2236 37.244 95.910 26.123 1.00 0.00 WT3 O ATOM 38858 H1 TIP3 2236 37.685 96.600 26.620 1.00 0.00 WT3 H ATOM 38859 H2 TIP3 2236 37.900 95.218 26.042 1.00 0.00 WT3 H ATOM 38860 OH2 TIP3 2238 44.523 8.917 -4.337 1.00 0.00 WT3 O ATOM 38861 H1 TIP3 2238 44.670 9.857 -4.233 1.00 0.00 WT3 H ATOM 38862 H2 TIP3 2238 43.645 8.851 -4.712 1.00 0.00 WT3 H ATOM 38863 OH2 TIP3 2240 28.754 41.804 25.122 1.00 0.00 WT3 O ATOM 38864 H1 TIP3 2240 29.305 42.421 24.641 1.00 0.00 WT3 H ATOM 38865 H2 TIP3 2240 29.341 41.407 25.765 1.00 0.00 WT3 H ATOM 38866 OH2 TIP3 2241 31.438 34.006 -6.456 1.00 0.00 WT3 O ATOM 38867 H1 TIP3 2241 31.395 34.949 -6.616 1.00 0.00 WT3 H ATOM 38868 H2 TIP3 2241 30.664 33.652 -6.895 1.00 0.00 WT3 H ATOM 38869 OH2 TIP3 2242 30.045 70.848 14.649 1.00 0.00 WT3 O ATOM 38870 H1 TIP3 2242 30.524 70.147 15.091 1.00 0.00 WT3 H ATOM 38871 H2 TIP3 2242 30.614 71.614 14.725 1.00 0.00 WT3 H ATOM 38872 OH2 TIP3 2244 80.705 54.134 57.410 1.00 0.00 WT3 O ATOM 38873 H1 TIP3 2244 80.296 53.381 56.984 1.00 0.00 WT3 H ATOM 38874 H2 TIP3 2244 79.977 54.728 57.597 1.00 0.00 WT3 H ATOM 38875 OH2 TIP3 2247 51.882 88.236 33.839 1.00 0.00 WT3 O ATOM 38876 H1 TIP3 2247 51.952 88.434 34.773 1.00 0.00 WT3 H ATOM 38877 H2 TIP3 2247 51.097 87.693 33.767 1.00 0.00 WT3 H ATOM 38878 OH2 TIP3 2248 45.096 90.744 62.264 1.00 0.00 WT3 O ATOM 38879 H1 TIP3 2248 44.498 91.421 62.582 1.00 0.00 WT3 H ATOM 38880 H2 TIP3 2248 45.867 91.226 61.965 1.00 0.00 WT3 H ATOM 38881 OH2 TIP3 2249 32.327 52.922 28.169 1.00 0.00 WT3 O ATOM 38882 H1 TIP3 2249 32.903 53.600 28.522 1.00 0.00 WT3 H ATOM 38883 H2 TIP3 2249 32.199 53.169 27.253 1.00 0.00 WT3 H ATOM 38884 OH2 TIP3 2250 59.037 58.987 20.619 1.00 0.00 WT3 O ATOM 38885 H1 TIP3 2250 58.144 58.652 20.547 1.00 0.00 WT3 H ATOM 38886 H2 TIP3 2250 59.089 59.676 19.956 1.00 0.00 WT3 H ATOM 38887 OH2 TIP3 2251 60.667 28.244 -9.046 1.00 0.00 WT3 O ATOM 38888 H1 TIP3 2251 60.303 27.727 -9.765 1.00 0.00 WT3 H ATOM 38889 H2 TIP3 2251 59.976 28.258 -8.385 1.00 0.00 WT3 H ATOM 38890 OH2 TIP3 2253 26.498 2.818 -0.707 1.00 0.00 WT3 O ATOM 38891 H1 TIP3 2253 26.201 2.355 -1.491 1.00 0.00 WT3 H ATOM 38892 H2 TIP3 2253 26.645 2.127 -0.061 1.00 0.00 WT3 H ATOM 38893 OH2 TIP3 2254 82.485 95.680 -9.628 1.00 0.00 WT3 O ATOM 38894 H1 TIP3 2254 81.960 94.882 -9.674 1.00 0.00 WT3 H ATOM 38895 H2 TIP3 2254 83.316 95.399 -9.244 1.00 0.00 WT3 H ATOM 38896 OH2 TIP3 2256 87.386 13.265 -7.795 1.00 0.00 WT3 O ATOM 38897 H1 TIP3 2256 86.844 13.711 -7.144 1.00 0.00 WT3 H ATOM 38898 H2 TIP3 2256 87.446 12.363 -7.480 1.00 0.00 WT3 H ATOM 38899 OH2 TIP3 2257 38.130 63.403 58.486 1.00 0.00 WT3 O ATOM 38900 H1 TIP3 2257 37.485 63.995 58.871 1.00 0.00 WT3 H ATOM 38901 H2 TIP3 2257 38.866 63.969 58.252 1.00 0.00 WT3 H ATOM 38902 OH2 TIP3 2260 52.195 91.683 42.708 1.00 0.00 WT3 O ATOM 38903 H1 TIP3 2260 51.390 91.170 42.783 1.00 0.00 WT3 H ATOM 38904 H2 TIP3 2260 52.440 91.610 41.785 1.00 0.00 WT3 H ATOM 38905 OH2 TIP3 2261 69.113 87.998 25.393 1.00 0.00 WT3 O ATOM 38906 H1 TIP3 2261 68.801 87.204 25.826 1.00 0.00 WT3 H ATOM 38907 H2 TIP3 2261 69.996 87.779 25.098 1.00 0.00 WT3 H ATOM 38908 OH2 TIP3 2263 21.420 57.228 45.909 1.00 0.00 WT3 O ATOM 38909 H1 TIP3 2263 22.357 57.295 45.726 1.00 0.00 WT3 H ATOM 38910 H2 TIP3 2263 21.208 58.036 46.377 1.00 0.00 WT3 H ATOM 38911 OH2 TIP3 2264 59.367 57.474 41.805 1.00 0.00 WT3 O ATOM 38912 H1 TIP3 2264 58.806 57.525 41.031 1.00 0.00 WT3 H ATOM 38913 H2 TIP3 2264 59.057 56.701 42.276 1.00 0.00 WT3 H ATOM 38914 OH2 TIP3 2265 48.280 50.343 33.031 1.00 0.00 WT3 O ATOM 38915 H1 TIP3 2265 48.147 51.283 32.914 1.00 0.00 WT3 H ATOM 38916 H2 TIP3 2265 47.481 49.943 32.688 1.00 0.00 WT3 H ATOM 38917 OH2 TIP3 2268 78.947 16.327 42.687 1.00 0.00 WT3 O ATOM 38918 H1 TIP3 2268 78.645 16.846 41.942 1.00 0.00 WT3 H ATOM 38919 H2 TIP3 2268 78.468 15.501 42.615 1.00 0.00 WT3 H ATOM 38920 OH2 TIP3 2269 21.266 87.135 63.198 1.00 0.00 WT3 O ATOM 38921 H1 TIP3 2269 22.171 86.824 63.219 1.00 0.00 WT3 H ATOM 38922 H2 TIP3 2269 20.951 87.020 64.094 1.00 0.00 WT3 H ATOM 38923 OH2 TIP3 2270 82.765 93.260 -7.505 1.00 0.00 WT3 O ATOM 38924 H1 TIP3 2270 82.482 94.047 -7.039 1.00 0.00 WT3 H ATOM 38925 H2 TIP3 2270 82.126 93.157 -8.211 1.00 0.00 WT3 H ATOM 38926 OH2 TIP3 2271 84.515 18.583 -5.550 1.00 0.00 WT3 O ATOM 38927 H1 TIP3 2271 83.977 18.326 -4.801 1.00 0.00 WT3 H ATOM 38928 H2 TIP3 2271 83.891 18.692 -6.267 1.00 0.00 WT3 H ATOM 38929 OH2 TIP3 2272 22.278 75.646 -14.361 1.00 0.00 WT3 O ATOM 38930 H1 TIP3 2272 21.518 75.124 -14.618 1.00 0.00 WT3 H ATOM 38931 H2 TIP3 2272 22.783 75.070 -13.787 1.00 0.00 WT3 H ATOM 38932 OH2 TIP3 2273 78.573 16.182 -5.116 1.00 0.00 WT3 O ATOM 38933 H1 TIP3 2273 78.630 16.103 -6.068 1.00 0.00 WT3 H ATOM 38934 H2 TIP3 2273 77.681 15.906 -4.905 1.00 0.00 WT3 H ATOM 38935 OH2 TIP3 2274 79.243 44.647 18.560 1.00 0.00 WT3 O ATOM 38936 H1 TIP3 2274 78.737 44.099 19.159 1.00 0.00 WT3 H ATOM 38937 H2 TIP3 2274 78.741 45.459 18.495 1.00 0.00 WT3 H ATOM 38938 OH2 TIP3 2275 48.223 91.596 38.355 1.00 0.00 WT3 O ATOM 38939 H1 TIP3 2275 47.658 92.298 38.033 1.00 0.00 WT3 H ATOM 38940 H2 TIP3 2275 47.648 90.832 38.409 1.00 0.00 WT3 H ATOM 38941 OH2 TIP3 2277 42.780 79.159 2.758 1.00 0.00 WT3 O ATOM 38942 H1 TIP3 2277 42.542 78.306 3.123 1.00 0.00 WT3 H ATOM 38943 H2 TIP3 2277 43.472 78.964 2.126 1.00 0.00 WT3 H ATOM 38944 OH2 TIP3 2279 33.057 83.516 32.656 1.00 0.00 WT3 O ATOM 38945 H1 TIP3 2279 33.324 82.817 33.253 1.00 0.00 WT3 H ATOM 38946 H2 TIP3 2279 32.464 83.091 32.038 1.00 0.00 WT3 H ATOM 38947 OH2 TIP3 2280 60.987 62.973 -6.423 1.00 0.00 WT3 O ATOM 38948 H1 TIP3 2280 61.153 62.996 -5.480 1.00 0.00 WT3 H ATOM 38949 H2 TIP3 2280 61.008 62.043 -6.648 1.00 0.00 WT3 H ATOM 38950 OH2 TIP3 2281 27.847 85.574 35.627 1.00 0.00 WT3 O ATOM 38951 H1 TIP3 2281 28.229 86.328 35.177 1.00 0.00 WT3 H ATOM 38952 H2 TIP3 2281 28.494 85.338 36.291 1.00 0.00 WT3 H ATOM 38953 OH2 TIP3 2282 68.664 43.083 26.087 1.00 0.00 WT3 O ATOM 38954 H1 TIP3 2282 68.168 42.393 26.528 1.00 0.00 WT3 H ATOM 38955 H2 TIP3 2282 68.446 42.981 25.161 1.00 0.00 WT3 H ATOM 38956 OH2 TIP3 2283 62.345 10.892 61.890 1.00 0.00 WT3 O ATOM 38957 H1 TIP3 2283 63.199 10.793 62.312 1.00 0.00 WT3 H ATOM 38958 H2 TIP3 2283 61.716 10.611 62.555 1.00 0.00 WT3 H ATOM 38959 OH2 TIP3 2284 55.689 86.705 -5.752 1.00 0.00 WT3 O ATOM 38960 H1 TIP3 2284 55.454 87.542 -6.152 1.00 0.00 WT3 H ATOM 38961 H2 TIP3 2284 55.314 86.747 -4.872 1.00 0.00 WT3 H ATOM 38962 OH2 TIP3 2286 60.408 31.022 31.231 1.00 0.00 WT3 O ATOM 38963 H1 TIP3 2286 59.844 31.786 31.112 1.00 0.00 WT3 H ATOM 38964 H2 TIP3 2286 60.837 30.907 30.383 1.00 0.00 WT3 H ATOM 38965 OH2 TIP3 2287 23.036 11.780 59.396 1.00 0.00 WT3 O ATOM 38966 H1 TIP3 2287 22.421 12.471 59.643 1.00 0.00 WT3 H ATOM 38967 H2 TIP3 2287 23.555 11.627 60.186 1.00 0.00 WT3 H ATOM 38968 OH2 TIP3 2288 87.507 13.563 54.584 1.00 0.00 WT3 O ATOM 38969 H1 TIP3 2288 88.416 13.416 54.322 1.00 0.00 WT3 H ATOM 38970 H2 TIP3 2288 87.418 14.516 54.617 1.00 0.00 WT3 H ATOM 38971 OH2 TIP3 2289 24.750 62.803 32.809 1.00 0.00 WT3 O ATOM 38972 H1 TIP3 2289 24.574 63.431 32.108 1.00 0.00 WT3 H ATOM 38973 H2 TIP3 2289 25.473 62.271 32.478 1.00 0.00 WT3 H ATOM 38974 OH2 TIP3 2291 45.077 79.873 27.990 1.00 0.00 WT3 O ATOM 38975 H1 TIP3 2291 44.555 79.244 28.489 1.00 0.00 WT3 H ATOM 38976 H2 TIP3 2291 45.985 79.625 28.165 1.00 0.00 WT3 H ATOM 38977 OH2 TIP3 2292 34.207 62.728 -18.227 1.00 0.00 WT3 O ATOM 38978 H1 TIP3 2292 34.632 62.527 -17.393 1.00 0.00 WT3 H ATOM 38979 H2 TIP3 2292 33.380 63.144 -17.981 1.00 0.00 WT3 H ATOM 38980 OH2 TIP3 2293 48.667 81.808 33.566 1.00 0.00 WT3 O ATOM 38981 H1 TIP3 2293 49.391 81.182 33.540 1.00 0.00 WT3 H ATOM 38982 H2 TIP3 2293 48.034 81.469 32.932 1.00 0.00 WT3 H ATOM 38983 OH2 TIP3 2294 81.929 84.818 60.323 1.00 0.00 WT3 O ATOM 38984 H1 TIP3 2294 82.800 85.207 60.241 1.00 0.00 WT3 H ATOM 38985 H2 TIP3 2294 81.486 85.048 59.507 1.00 0.00 WT3 H ATOM 38986 OH2 TIP3 2295 38.706 18.285 -11.344 1.00 0.00 WT3 O ATOM 38987 H1 TIP3 2295 38.212 17.465 -11.329 1.00 0.00 WT3 H ATOM 38988 H2 TIP3 2295 38.152 18.907 -10.873 1.00 0.00 WT3 H ATOM 38989 OH2 TIP3 2296 65.303 90.126 -16.072 1.00 0.00 WT3 O ATOM 38990 H1 TIP3 2296 65.594 89.675 -16.864 1.00 0.00 WT3 H ATOM 38991 H2 TIP3 2296 64.627 89.556 -15.706 1.00 0.00 WT3 H ATOM 38992 OH2 TIP3 2297 78.568 58.399 13.641 1.00 0.00 WT3 O ATOM 38993 H1 TIP3 2297 79.047 57.586 13.805 1.00 0.00 WT3 H ATOM 38994 H2 TIP3 2297 77.648 58.163 13.762 1.00 0.00 WT3 H ATOM 38995 OH2 TIP3 2299 50.764 93.557 60.477 1.00 0.00 WT3 O ATOM 38996 H1 TIP3 2299 50.344 93.062 59.774 1.00 0.00 WT3 H ATOM 38997 H2 TIP3 2299 50.190 94.310 60.616 1.00 0.00 WT3 H ATOM 38998 OH2 TIP3 2300 69.842 79.465 -5.647 1.00 0.00 WT3 O ATOM 38999 H1 TIP3 2300 69.819 78.561 -5.332 1.00 0.00 WT3 H ATOM 39000 H2 TIP3 2300 69.728 79.391 -6.595 1.00 0.00 WT3 H ATOM 39001 OH2 TIP3 2301 76.802 53.657 22.625 1.00 0.00 WT3 O ATOM 39002 H1 TIP3 2301 76.130 53.805 23.291 1.00 0.00 WT3 H ATOM 39003 H2 TIP3 2301 77.627 53.849 23.071 1.00 0.00 WT3 H ATOM 39004 OH2 TIP3 2302 77.846 20.960 54.551 1.00 0.00 WT3 O ATOM 39005 H1 TIP3 2302 77.371 20.498 53.860 1.00 0.00 WT3 H ATOM 39006 H2 TIP3 2302 78.409 21.577 54.084 1.00 0.00 WT3 H ATOM 39007 OH2 TIP3 2303 79.511 27.403 56.631 1.00 0.00 WT3 O ATOM 39008 H1 TIP3 2303 79.786 27.518 55.722 1.00 0.00 WT3 H ATOM 39009 H2 TIP3 2303 79.874 26.555 56.886 1.00 0.00 WT3 H ATOM 39010 OH2 TIP3 2304 31.817 50.815 30.285 1.00 0.00 WT3 O ATOM 39011 H1 TIP3 2304 31.905 49.893 30.045 1.00 0.00 WT3 H ATOM 39012 H2 TIP3 2304 31.681 51.268 29.453 1.00 0.00 WT3 H ATOM 39013 OH2 TIP3 2306 34.652 23.838 37.620 1.00 0.00 WT3 O ATOM 39014 H1 TIP3 2306 35.443 23.350 37.849 1.00 0.00 WT3 H ATOM 39015 H2 TIP3 2306 34.512 23.646 36.692 1.00 0.00 WT3 H ATOM 39016 OH2 TIP3 2307 34.304 76.530 39.502 1.00 0.00 WT3 O ATOM 39017 H1 TIP3 2307 33.558 75.982 39.744 1.00 0.00 WT3 H ATOM 39018 H2 TIP3 2307 34.498 76.286 38.597 1.00 0.00 WT3 H ATOM 39019 OH2 TIP3 2309 44.246 95.533 13.723 1.00 0.00 WT3 O ATOM 39020 H1 TIP3 2309 43.771 95.512 12.892 1.00 0.00 WT3 H ATOM 39021 H2 TIP3 2309 44.230 96.454 13.984 1.00 0.00 WT3 H ATOM 39022 OH2 TIP3 2310 85.687 18.387 65.533 1.00 0.00 WT3 O ATOM 39023 H1 TIP3 2310 85.981 19.277 65.730 1.00 0.00 WT3 H ATOM 39024 H2 TIP3 2310 86.485 17.918 65.292 1.00 0.00 WT3 H ATOM 39025 OH2 TIP3 2311 20.840 51.912 -4.209 1.00 0.00 WT3 O ATOM 39026 H1 TIP3 2311 20.609 52.450 -3.452 1.00 0.00 WT3 H ATOM 39027 H2 TIP3 2311 21.340 51.183 -3.842 1.00 0.00 WT3 H ATOM 39028 OH2 TIP3 2313 74.896 33.268 25.298 1.00 0.00 WT3 O ATOM 39029 H1 TIP3 2313 74.933 33.874 24.558 1.00 0.00 WT3 H ATOM 39030 H2 TIP3 2313 75.803 33.200 25.598 1.00 0.00 WT3 H ATOM 39031 OH2 TIP3 2314 64.774 72.343 26.455 1.00 0.00 WT3 O ATOM 39032 H1 TIP3 2314 64.149 72.723 27.073 1.00 0.00 WT3 H ATOM 39033 H2 TIP3 2314 64.269 72.215 25.652 1.00 0.00 WT3 H ATOM 39034 OH2 TIP3 2315 28.164 14.115 39.541 1.00 0.00 WT3 O ATOM 39035 H1 TIP3 2315 28.306 13.744 38.670 1.00 0.00 WT3 H ATOM 39036 H2 TIP3 2315 28.897 13.789 40.063 1.00 0.00 WT3 H ATOM 39037 OH2 TIP3 2316 72.398 93.649 -3.132 1.00 0.00 WT3 O ATOM 39038 H1 TIP3 2316 73.211 94.126 -2.963 1.00 0.00 WT3 H ATOM 39039 H2 TIP3 2316 72.055 93.443 -2.263 1.00 0.00 WT3 H ATOM 39040 OH2 TIP3 2317 31.499 91.333 12.834 1.00 0.00 WT3 O ATOM 39041 H1 TIP3 2317 31.553 92.039 12.190 1.00 0.00 WT3 H ATOM 39042 H2 TIP3 2317 31.604 91.771 13.679 1.00 0.00 WT3 H ATOM 39043 OH2 TIP3 2318 52.435 11.175 35.327 1.00 0.00 WT3 O ATOM 39044 H1 TIP3 2318 52.985 11.652 34.706 1.00 0.00 WT3 H ATOM 39045 H2 TIP3 2318 53.049 10.827 35.973 1.00 0.00 WT3 H ATOM 39046 OH2 TIP3 2319 33.303 10.488 25.622 1.00 0.00 WT3 O ATOM 39047 H1 TIP3 2319 33.134 9.764 25.018 1.00 0.00 WT3 H ATOM 39048 H2 TIP3 2319 33.487 11.236 25.054 1.00 0.00 WT3 H ATOM 39049 OH2 TIP3 2320 30.172 92.346 55.257 1.00 0.00 WT3 O ATOM 39050 H1 TIP3 2320 30.892 92.305 55.886 1.00 0.00 WT3 H ATOM 39051 H2 TIP3 2320 30.541 92.802 54.500 1.00 0.00 WT3 H ATOM 39052 OH2 TIP3 2321 56.636 22.563 13.376 1.00 0.00 WT3 O ATOM 39053 H1 TIP3 2321 55.887 22.529 13.972 1.00 0.00 WT3 H ATOM 39054 H2 TIP3 2321 57.315 22.052 13.816 1.00 0.00 WT3 H ATOM 39055 OH2 TIP3 2322 63.403 88.654 -14.782 1.00 0.00 WT3 O ATOM 39056 H1 TIP3 2322 62.562 89.104 -14.699 1.00 0.00 WT3 H ATOM 39057 H2 TIP3 2322 63.563 88.281 -13.916 1.00 0.00 WT3 H ATOM 39058 OH2 TIP3 2324 28.968 75.576 54.850 1.00 0.00 WT3 O ATOM 39059 H1 TIP3 2324 28.972 75.453 55.800 1.00 0.00 WT3 H ATOM 39060 H2 TIP3 2324 29.208 76.495 54.727 1.00 0.00 WT3 H ATOM 39061 OH2 TIP3 2325 53.454 92.871 12.702 1.00 0.00 WT3 O ATOM 39062 H1 TIP3 2325 53.433 93.827 12.739 1.00 0.00 WT3 H ATOM 39063 H2 TIP3 2325 53.176 92.592 13.575 1.00 0.00 WT3 H ATOM 39064 OH2 TIP3 2326 20.296 76.840 4.123 1.00 0.00 WT3 O ATOM 39065 H1 TIP3 2326 20.533 77.664 4.549 1.00 0.00 WT3 H ATOM 39066 H2 TIP3 2326 20.826 76.821 3.326 1.00 0.00 WT3 H ATOM 39067 OH2 TIP3 2327 82.584 47.099 -6.474 1.00 0.00 WT3 O ATOM 39068 H1 TIP3 2327 82.334 46.920 -7.381 1.00 0.00 WT3 H ATOM 39069 H2 TIP3 2327 82.208 47.958 -6.286 1.00 0.00 WT3 H ATOM 39070 OH2 TIP3 2328 28.698 95.317 52.501 1.00 0.00 WT3 O ATOM 39071 H1 TIP3 2328 29.519 95.382 52.014 1.00 0.00 WT3 H ATOM 39072 H2 TIP3 2328 28.378 94.433 52.317 1.00 0.00 WT3 H ATOM 39073 OH2 TIP3 2329 71.646 41.258 1.490 1.00 0.00 WT3 O ATOM 39074 H1 TIP3 2329 72.157 41.594 2.226 1.00 0.00 WT3 H ATOM 39075 H2 TIP3 2329 72.292 41.102 0.801 1.00 0.00 WT3 H ATOM 39076 OH2 TIP3 2330 31.348 81.017 55.459 1.00 0.00 WT3 O ATOM 39077 H1 TIP3 2330 31.104 81.641 54.775 1.00 0.00 WT3 H ATOM 39078 H2 TIP3 2330 30.557 80.498 55.603 1.00 0.00 WT3 H ATOM 39079 OH2 TIP3 2331 27.488 70.688 -18.152 1.00 0.00 WT3 O ATOM 39080 H1 TIP3 2331 28.292 70.255 -18.438 1.00 0.00 WT3 H ATOM 39081 H2 TIP3 2331 27.081 70.063 -17.550 1.00 0.00 WT3 H ATOM 39082 OH2 TIP3 2332 86.104 40.490 64.186 1.00 0.00 WT3 O ATOM 39083 H1 TIP3 2332 86.788 40.923 64.696 1.00 0.00 WT3 H ATOM 39084 H2 TIP3 2332 86.296 40.728 63.278 1.00 0.00 WT3 H ATOM 39085 OH2 TIP3 2333 42.643 58.131 65.518 1.00 0.00 WT3 O ATOM 39086 H1 TIP3 2333 42.465 59.071 65.490 1.00 0.00 WT3 H ATOM 39087 H2 TIP3 2333 43.581 58.070 65.697 1.00 0.00 WT3 H ATOM 39088 OH2 TIP3 2334 72.732 9.617 36.735 1.00 0.00 WT3 O ATOM 39089 H1 TIP3 2334 73.113 9.902 37.566 1.00 0.00 WT3 H ATOM 39090 H2 TIP3 2334 72.007 10.223 36.584 1.00 0.00 WT3 H ATOM 39091 OH2 TIP3 2335 32.526 3.036 65.334 1.00 0.00 WT3 O ATOM 39092 H1 TIP3 2335 31.832 2.525 64.919 1.00 0.00 WT3 H ATOM 39093 H2 TIP3 2335 32.842 2.478 66.045 1.00 0.00 WT3 H ATOM 39094 OH2 TIP3 2339 48.707 66.156 61.977 1.00 0.00 WT3 O ATOM 39095 H1 TIP3 2339 48.420 67.068 61.915 1.00 0.00 WT3 H ATOM 39096 H2 TIP3 2339 49.639 66.182 61.762 1.00 0.00 WT3 H ATOM 39097 OH2 TIP3 2340 72.338 90.269 -11.637 1.00 0.00 WT3 O ATOM 39098 H1 TIP3 2340 73.291 90.358 -11.608 1.00 0.00 WT3 H ATOM 39099 H2 TIP3 2340 72.189 89.361 -11.900 1.00 0.00 WT3 H ATOM 39100 OH2 TIP3 2341 23.264 79.178 48.509 1.00 0.00 WT3 O ATOM 39101 H1 TIP3 2341 24.045 79.718 48.391 1.00 0.00 WT3 H ATOM 39102 H2 TIP3 2341 23.402 78.736 49.347 1.00 0.00 WT3 H ATOM 39103 OH2 TIP3 2342 76.444 92.287 -5.510 1.00 0.00 WT3 O ATOM 39104 H1 TIP3 2342 76.869 93.067 -5.154 1.00 0.00 WT3 H ATOM 39105 H2 TIP3 2342 75.507 92.478 -5.454 1.00 0.00 WT3 H ATOM 39106 OH2 TIP3 2345 78.941 63.755 65.532 1.00 0.00 WT3 O ATOM 39107 H1 TIP3 2345 78.274 63.220 65.963 1.00 0.00 WT3 H ATOM 39108 H2 TIP3 2345 79.746 63.571 66.018 1.00 0.00 WT3 H ATOM 39109 OH2 TIP3 2346 66.679 61.781 -10.006 1.00 0.00 WT3 O ATOM 39110 H1 TIP3 2346 67.258 61.136 -10.412 1.00 0.00 WT3 H ATOM 39111 H2 TIP3 2346 67.105 62.622 -10.171 1.00 0.00 WT3 H ATOM 39112 OH2 TIP3 2347 82.656 54.702 35.791 1.00 0.00 WT3 O ATOM 39113 H1 TIP3 2347 82.960 54.833 34.892 1.00 0.00 WT3 H ATOM 39114 H2 TIP3 2347 81.880 55.257 35.864 1.00 0.00 WT3 H ATOM 39115 OH2 TIP3 2348 46.096 18.722 -10.257 1.00 0.00 WT3 O ATOM 39116 H1 TIP3 2348 47.015 18.841 -10.020 1.00 0.00 WT3 H ATOM 39117 H2 TIP3 2348 46.048 17.827 -10.592 1.00 0.00 WT3 H ATOM 39118 OH2 TIP3 2349 45.269 53.456 53.229 1.00 0.00 WT3 O ATOM 39119 H1 TIP3 2349 44.514 53.922 53.589 1.00 0.00 WT3 H ATOM 39120 H2 TIP3 2349 45.451 52.766 53.866 1.00 0.00 WT3 H ATOM 39121 OH2 TIP3 2350 38.240 76.908 63.443 1.00 0.00 WT3 O ATOM 39122 H1 TIP3 2350 37.766 76.845 62.614 1.00 0.00 WT3 H ATOM 39123 H2 TIP3 2350 38.503 76.009 63.639 1.00 0.00 WT3 H ATOM 39124 OH2 TIP3 2351 54.386 53.917 58.817 1.00 0.00 WT3 O ATOM 39125 H1 TIP3 2351 53.803 54.229 58.125 1.00 0.00 WT3 H ATOM 39126 H2 TIP3 2351 55.110 54.543 58.822 1.00 0.00 WT3 H ATOM 39127 OH2 TIP3 2352 87.679 33.135 29.553 1.00 0.00 WT3 O ATOM 39128 H1 TIP3 2352 88.326 33.455 30.182 1.00 0.00 WT3 H ATOM 39129 H2 TIP3 2352 87.852 32.196 29.487 1.00 0.00 WT3 H ATOM 39130 OH2 TIP3 2353 40.726 24.262 7.915 1.00 0.00 WT3 O ATOM 39131 H1 TIP3 2353 41.683 24.249 7.928 1.00 0.00 WT3 H ATOM 39132 H2 TIP3 2353 40.504 24.849 7.193 1.00 0.00 WT3 H ATOM 39133 OH2 TIP3 2355 88.396 20.389 4.835 1.00 0.00 WT3 O ATOM 39134 H1 TIP3 2355 88.000 19.929 4.095 1.00 0.00 WT3 H ATOM 39135 H2 TIP3 2355 87.709 20.978 5.147 1.00 0.00 WT3 H ATOM 39136 OH2 TIP3 2356 74.217 75.517 46.673 1.00 0.00 WT3 O ATOM 39137 H1 TIP3 2356 74.836 75.889 46.046 1.00 0.00 WT3 H ATOM 39138 H2 TIP3 2356 74.313 74.570 46.573 1.00 0.00 WT3 H ATOM 39139 OH2 TIP3 2357 85.360 0.891 -5.877 1.00 0.00 WT3 O ATOM 39140 H1 TIP3 2357 84.709 1.135 -5.220 1.00 0.00 WT3 H ATOM 39141 H2 TIP3 2357 85.324 1.596 -6.524 1.00 0.00 WT3 H ATOM 39142 OH2 TIP3 2358 87.508 37.347 -10.828 1.00 0.00 WT3 O ATOM 39143 H1 TIP3 2358 87.480 37.726 -11.707 1.00 0.00 WT3 H ATOM 39144 H2 TIP3 2358 87.458 38.101 -10.240 1.00 0.00 WT3 H ATOM 39145 OH2 TIP3 2359 27.234 6.037 -19.759 1.00 0.00 WT3 O ATOM 39146 H1 TIP3 2359 26.803 5.532 -19.069 1.00 0.00 WT3 H ATOM 39147 H2 TIP3 2359 26.600 6.056 -20.475 1.00 0.00 WT3 H ATOM 39148 OH2 TIP3 2360 57.561 25.127 -6.503 1.00 0.00 WT3 O ATOM 39149 H1 TIP3 2360 56.994 25.730 -6.023 1.00 0.00 WT3 H ATOM 39150 H2 TIP3 2360 57.311 24.259 -6.186 1.00 0.00 WT3 H ATOM 39151 OH2 TIP3 2361 44.895 93.350 26.821 1.00 0.00 WT3 O ATOM 39152 H1 TIP3 2361 44.518 92.470 26.815 1.00 0.00 WT3 H ATOM 39153 H2 TIP3 2361 45.287 93.449 25.953 1.00 0.00 WT3 H ATOM 39154 OH2 TIP3 2362 68.549 45.310 57.016 1.00 0.00 WT3 O ATOM 39155 H1 TIP3 2362 69.467 45.539 57.161 1.00 0.00 WT3 H ATOM 39156 H2 TIP3 2362 68.113 46.148 56.862 1.00 0.00 WT3 H ATOM 39157 OH2 TIP3 2363 23.599 47.685 3.567 1.00 0.00 WT3 O ATOM 39158 H1 TIP3 2363 22.679 47.569 3.806 1.00 0.00 WT3 H ATOM 39159 H2 TIP3 2363 23.572 48.096 2.703 1.00 0.00 WT3 H ATOM 39160 OH2 TIP3 2365 53.216 90.308 32.385 1.00 0.00 WT3 O ATOM 39161 H1 TIP3 2365 52.523 90.899 32.091 1.00 0.00 WT3 H ATOM 39162 H2 TIP3 2365 52.755 89.614 32.857 1.00 0.00 WT3 H ATOM 39163 OH2 TIP3 2366 81.635 69.667 8.483 1.00 0.00 WT3 O ATOM 39164 H1 TIP3 2366 80.746 69.772 8.145 1.00 0.00 WT3 H ATOM 39165 H2 TIP3 2366 81.540 69.067 9.223 1.00 0.00 WT3 H ATOM 39166 OH2 TIP3 2367 89.974 72.170 22.658 1.00 0.00 WT3 O ATOM 39167 H1 TIP3 2367 90.283 71.287 22.861 1.00 0.00 WT3 H ATOM 39168 H2 TIP3 2367 89.031 72.072 22.530 1.00 0.00 WT3 H ATOM 39169 OH2 TIP3 2368 37.804 81.366 48.495 1.00 0.00 WT3 O ATOM 39170 H1 TIP3 2368 37.436 81.559 49.357 1.00 0.00 WT3 H ATOM 39171 H2 TIP3 2368 37.041 81.216 47.936 1.00 0.00 WT3 H ATOM 39172 OH2 TIP3 2374 21.337 70.609 51.524 1.00 0.00 WT3 O ATOM 39173 H1 TIP3 2374 21.091 70.353 50.635 1.00 0.00 WT3 H ATOM 39174 H2 TIP3 2374 20.931 69.948 52.085 1.00 0.00 WT3 H ATOM 39175 OH2 TIP3 2375 23.255 18.360 47.389 1.00 0.00 WT3 O ATOM 39176 H1 TIP3 2375 22.760 19.146 47.160 1.00 0.00 WT3 H ATOM 39177 H2 TIP3 2375 23.414 17.924 46.551 1.00 0.00 WT3 H ATOM 39178 OH2 TIP3 2376 20.206 25.690 18.933 1.00 0.00 WT3 O ATOM 39179 H1 TIP3 2376 19.839 26.043 18.122 1.00 0.00 WT3 H ATOM 39180 H2 TIP3 2376 21.083 25.395 18.690 1.00 0.00 WT3 H ATOM 39181 OH2 TIP3 2377 53.809 0.614 46.679 1.00 0.00 WT3 O ATOM 39182 H1 TIP3 2377 54.464 1.138 47.140 1.00 0.00 WT3 H ATOM 39183 H2 TIP3 2377 54.147 0.537 45.787 1.00 0.00 WT3 H ATOM 39184 OH2 TIP3 2379 63.127 72.693 62.849 1.00 0.00 WT3 O ATOM 39185 H1 TIP3 2379 64.008 72.378 62.643 1.00 0.00 WT3 H ATOM 39186 H2 TIP3 2379 62.573 72.318 62.165 1.00 0.00 WT3 H ATOM 39187 OH2 TIP3 2380 42.661 5.664 3.023 1.00 0.00 WT3 O ATOM 39188 H1 TIP3 2380 41.734 5.609 3.255 1.00 0.00 WT3 H ATOM 39189 H2 TIP3 2380 43.045 6.223 3.698 1.00 0.00 WT3 H ATOM 39190 OH2 TIP3 2381 29.831 12.369 54.290 1.00 0.00 WT3 O ATOM 39191 H1 TIP3 2381 30.773 12.519 54.372 1.00 0.00 WT3 H ATOM 39192 H2 TIP3 2381 29.647 12.504 53.360 1.00 0.00 WT3 H ATOM 39193 OH2 TIP3 2384 34.405 32.973 41.662 1.00 0.00 WT3 O ATOM 39194 H1 TIP3 2384 34.624 32.529 42.481 1.00 0.00 WT3 H ATOM 39195 H2 TIP3 2384 34.994 32.586 41.014 1.00 0.00 WT3 H ATOM 39196 OH2 TIP3 2388 28.175 12.827 52.059 1.00 0.00 WT3 O ATOM 39197 H1 TIP3 2388 27.353 13.194 52.385 1.00 0.00 WT3 H ATOM 39198 H2 TIP3 2388 28.013 12.665 51.129 1.00 0.00 WT3 H ATOM 39199 OH2 TIP3 2390 51.570 83.009 3.080 1.00 0.00 WT3 O ATOM 39200 H1 TIP3 2390 52.237 82.452 3.482 1.00 0.00 WT3 H ATOM 39201 H2 TIP3 2390 50.869 82.405 2.835 1.00 0.00 WT3 H ATOM 39202 OH2 TIP3 2393 72.697 26.301 -4.538 1.00 0.00 WT3 O ATOM 39203 H1 TIP3 2393 73.214 27.084 -4.349 1.00 0.00 WT3 H ATOM 39204 H2 TIP3 2393 72.475 25.946 -3.677 1.00 0.00 WT3 H ATOM 39205 OH2 TIP3 2394 41.211 72.889 66.110 1.00 0.00 WT3 O ATOM 39206 H1 TIP3 2394 41.276 72.141 66.703 1.00 0.00 WT3 H ATOM 39207 H2 TIP3 2394 40.718 72.558 65.359 1.00 0.00 WT3 H ATOM 39208 OH2 TIP3 2396 87.537 14.246 41.060 1.00 0.00 WT3 O ATOM 39209 H1 TIP3 2396 87.312 13.317 41.111 1.00 0.00 WT3 H ATOM 39210 H2 TIP3 2396 88.391 14.310 41.488 1.00 0.00 WT3 H ATOM 39211 OH2 TIP3 2397 46.836 83.718 21.365 1.00 0.00 WT3 O ATOM 39212 H1 TIP3 2397 47.068 83.202 20.593 1.00 0.00 WT3 H ATOM 39213 H2 TIP3 2397 46.324 83.119 21.909 1.00 0.00 WT3 H ATOM 39214 OH2 TIP3 2398 29.667 29.850 -14.864 1.00 0.00 WT3 O ATOM 39215 H1 TIP3 2398 30.580 30.133 -14.912 1.00 0.00 WT3 H ATOM 39216 H2 TIP3 2398 29.690 28.924 -15.105 1.00 0.00 WT3 H ATOM 39217 OH2 TIP3 2402 52.310 71.577 62.345 1.00 0.00 WT3 O ATOM 39218 H1 TIP3 2402 53.127 72.076 62.364 1.00 0.00 WT3 H ATOM 39219 H2 TIP3 2402 51.629 72.225 62.523 1.00 0.00 WT3 H ATOM 39220 OH2 TIP3 2405 63.719 69.067 28.028 1.00 0.00 WT3 O ATOM 39221 H1 TIP3 2405 63.098 68.412 28.348 1.00 0.00 WT3 H ATOM 39222 H2 TIP3 2405 63.169 69.782 27.709 1.00 0.00 WT3 H ATOM 39223 OH2 TIP3 2406 74.148 74.423 -6.379 1.00 0.00 WT3 O ATOM 39224 H1 TIP3 2406 75.102 74.454 -6.441 1.00 0.00 WT3 H ATOM 39225 H2 TIP3 2406 73.974 73.822 -5.654 1.00 0.00 WT3 H ATOM 39226 OH2 TIP3 2407 68.192 70.951 64.090 1.00 0.00 WT3 O ATOM 39227 H1 TIP3 2407 68.736 70.199 63.857 1.00 0.00 WT3 H ATOM 39228 H2 TIP3 2407 67.850 71.269 63.255 1.00 0.00 WT3 H ATOM 39229 OH2 TIP3 2408 73.511 82.261 25.523 1.00 0.00 WT3 O ATOM 39230 H1 TIP3 2408 72.796 82.500 24.934 1.00 0.00 WT3 H ATOM 39231 H2 TIP3 2408 73.896 81.479 25.128 1.00 0.00 WT3 H ATOM 39232 OH2 TIP3 2409 24.470 95.012 59.270 1.00 0.00 WT3 O ATOM 39233 H1 TIP3 2409 24.276 95.949 59.235 1.00 0.00 WT3 H ATOM 39234 H2 TIP3 2409 24.689 94.779 58.368 1.00 0.00 WT3 H ATOM 39235 OH2 TIP3 2411 28.062 83.240 63.111 1.00 0.00 WT3 O ATOM 39236 H1 TIP3 2411 28.513 83.861 62.538 1.00 0.00 WT3 H ATOM 39237 H2 TIP3 2411 28.134 82.400 62.657 1.00 0.00 WT3 H ATOM 39238 OH2 TIP3 2412 66.299 90.604 26.596 1.00 0.00 WT3 O ATOM 39239 H1 TIP3 2412 65.469 90.359 27.005 1.00 0.00 WT3 H ATOM 39240 H2 TIP3 2412 66.938 89.992 26.963 1.00 0.00 WT3 H ATOM 39241 OH2 TIP3 2413 52.196 96.084 -9.088 1.00 0.00 WT3 O ATOM 39242 H1 TIP3 2413 51.590 95.706 -9.726 1.00 0.00 WT3 H ATOM 39243 H2 TIP3 2413 52.980 95.538 -9.150 1.00 0.00 WT3 H ATOM 39244 OH2 TIP3 2414 35.552 82.796 42.906 1.00 0.00 WT3 O ATOM 39245 H1 TIP3 2414 34.898 82.677 42.217 1.00 0.00 WT3 H ATOM 39246 H2 TIP3 2414 35.237 82.255 43.631 1.00 0.00 WT3 H ATOM 39247 OH2 TIP3 2415 76.329 12.226 51.330 1.00 0.00 WT3 O ATOM 39248 H1 TIP3 2415 75.745 12.870 51.732 1.00 0.00 WT3 H ATOM 39249 H2 TIP3 2415 76.068 12.208 50.409 1.00 0.00 WT3 H ATOM 39250 OH2 TIP3 2418 26.696 71.994 -7.443 1.00 0.00 WT3 O ATOM 39251 H1 TIP3 2418 26.714 71.586 -6.577 1.00 0.00 WT3 H ATOM 39252 H2 TIP3 2418 25.779 72.234 -7.576 1.00 0.00 WT3 H ATOM 39253 OH2 TIP3 2426 30.102 30.732 12.946 1.00 0.00 WT3 O ATOM 39254 H1 TIP3 2426 30.930 31.209 12.888 1.00 0.00 WT3 H ATOM 39255 H2 TIP3 2426 29.477 31.376 13.279 1.00 0.00 WT3 H ATOM 39256 OH2 TIP3 2427 70.021 2.090 7.619 1.00 0.00 WT3 O ATOM 39257 H1 TIP3 2427 70.254 2.298 8.523 1.00 0.00 WT3 H ATOM 39258 H2 TIP3 2427 69.242 2.618 7.444 1.00 0.00 WT3 H ATOM 39259 OH2 TIP3 2432 85.352 35.792 65.141 1.00 0.00 WT3 O ATOM 39260 H1 TIP3 2432 85.216 36.280 65.953 1.00 0.00 WT3 H ATOM 39261 H2 TIP3 2432 86.287 35.885 64.960 1.00 0.00 WT3 H ATOM 39262 OH2 TIP3 2434 32.350 66.750 -16.097 1.00 0.00 WT3 O ATOM 39263 H1 TIP3 2434 33.074 66.834 -15.476 1.00 0.00 WT3 H ATOM 39264 H2 TIP3 2434 32.736 66.962 -16.946 1.00 0.00 WT3 H ATOM 39265 OH2 TIP3 2435 70.256 71.391 65.792 1.00 0.00 WT3 O ATOM 39266 H1 TIP3 2435 69.534 71.283 65.173 1.00 0.00 WT3 H ATOM 39267 H2 TIP3 2435 70.774 70.592 65.698 1.00 0.00 WT3 H ATOM 39268 OH2 TIP3 2436 86.322 71.435 -18.670 1.00 0.00 WT3 O ATOM 39269 H1 TIP3 2436 85.446 71.354 -19.049 1.00 0.00 WT3 H ATOM 39270 H2 TIP3 2436 86.182 71.883 -17.836 1.00 0.00 WT3 H ATOM 39271 OH2 TIP3 2444 86.539 57.864 13.711 1.00 0.00 WT3 O ATOM 39272 H1 TIP3 2444 85.683 58.070 14.087 1.00 0.00 WT3 H ATOM 39273 H2 TIP3 2444 86.576 58.377 12.903 1.00 0.00 WT3 H ATOM 39274 OH2 TIP3 2445 47.117 59.982 -3.203 1.00 0.00 WT3 O ATOM 39275 H1 TIP3 2445 47.661 59.440 -2.631 1.00 0.00 WT3 H ATOM 39276 H2 TIP3 2445 46.884 59.404 -3.929 1.00 0.00 WT3 H ATOM 39277 OH2 TIP3 2449 45.456 55.075 29.556 1.00 0.00 WT3 O ATOM 39278 H1 TIP3 2449 45.551 54.791 28.647 1.00 0.00 WT3 H ATOM 39279 H2 TIP3 2449 45.020 55.926 29.498 1.00 0.00 WT3 H ATOM 39280 OH2 TIP3 2451 24.664 77.042 -17.765 1.00 0.00 WT3 O ATOM 39281 H1 TIP3 2451 25.297 76.328 -17.686 1.00 0.00 WT3 H ATOM 39282 H2 TIP3 2451 24.482 77.099 -18.703 1.00 0.00 WT3 H ATOM 39283 OH2 TIP3 2453 79.088 3.008 61.950 1.00 0.00 WT3 O ATOM 39284 H1 TIP3 2453 78.868 2.115 61.686 1.00 0.00 WT3 H ATOM 39285 H2 TIP3 2453 79.817 2.904 62.562 1.00 0.00 WT3 H ATOM 39286 OH2 TIP3 2457 86.895 47.100 -12.448 1.00 0.00 WT3 O ATOM 39287 H1 TIP3 2457 86.286 46.770 -11.787 1.00 0.00 WT3 H ATOM 39288 H2 TIP3 2457 87.756 46.811 -12.147 1.00 0.00 WT3 H ATOM 39289 OH2 TIP3 2464 88.287 64.805 40.862 1.00 0.00 WT3 O ATOM 39290 H1 TIP3 2464 88.372 64.493 39.961 1.00 0.00 WT3 H ATOM 39291 H2 TIP3 2464 89.015 64.394 41.328 1.00 0.00 WT3 H ATOM 39292 OH2 TIP3 2469 75.857 25.362 1.234 1.00 0.00 WT3 O ATOM 39293 H1 TIP3 2469 75.436 25.626 2.053 1.00 0.00 WT3 H ATOM 39294 H2 TIP3 2469 76.462 24.666 1.489 1.00 0.00 WT3 H ATOM 39295 OH2 TIP3 2473 30.103 80.094 14.052 1.00 0.00 WT3 O ATOM 39296 H1 TIP3 2473 31.010 80.052 14.355 1.00 0.00 WT3 H ATOM 39297 H2 TIP3 2473 30.161 80.474 13.175 1.00 0.00 WT3 H ATOM 39298 OH2 TIP3 2475 77.427 63.588 -13.578 1.00 0.00 WT3 O ATOM 39299 H1 TIP3 2475 76.524 63.319 -13.747 1.00 0.00 WT3 H ATOM 39300 H2 TIP3 2475 77.358 64.226 -12.868 1.00 0.00 WT3 H ATOM 39301 OH2 TIP3 2476 77.592 73.259 56.908 1.00 0.00 WT3 O ATOM 39302 H1 TIP3 2476 77.022 72.622 56.479 1.00 0.00 WT3 H ATOM 39303 H2 TIP3 2476 77.075 74.064 56.936 1.00 0.00 WT3 H ATOM 39304 OH2 TIP3 2508 60.806 9.513 39.860 1.00 0.00 WT3 O ATOM 39305 H1 TIP3 2508 60.942 10.273 39.295 1.00 0.00 WT3 H ATOM 39306 H2 TIP3 2508 60.738 8.774 39.255 1.00 0.00 WT3 H ATOM 39307 OH2 TIP3 2513 22.701 74.191 -10.667 1.00 0.00 WT3 O ATOM 39308 H1 TIP3 2513 22.857 74.509 -9.778 1.00 0.00 WT3 H ATOM 39309 H2 TIP3 2513 23.575 74.113 -11.051 1.00 0.00 WT3 H ATOM 39310 OH2 TIP3 2561 89.985 28.685 5.870 1.00 0.00 WT3 O ATOM 39311 H1 TIP3 2561 89.199 28.743 6.414 1.00 0.00 WT3 H ATOM 39312 H2 TIP3 2561 89.963 29.475 5.330 1.00 0.00 WT3 H ATOM 39313 OH2 TIP3 2587 88.667 52.172 -19.667 1.00 0.00 WT3 O ATOM 39314 H1 TIP3 2587 87.734 52.096 -19.470 1.00 0.00 WT3 H ATOM 39315 H2 TIP3 2587 89.012 51.288 -19.542 1.00 0.00 WT3 H ATOM 39316 OH2 TIP3 2591 47.283 34.918 -6.001 1.00 0.00 WT3 O ATOM 39317 H1 TIP3 2591 46.425 35.328 -6.111 1.00 0.00 WT3 H ATOM 39318 H2 TIP3 2591 47.845 35.621 -5.675 1.00 0.00 WT3 H ATOM 39319 OH2 TIP3 2606 66.893 64.681 -10.927 1.00 0.00 WT3 O ATOM 39320 H1 TIP3 2606 65.963 64.623 -10.706 1.00 0.00 WT3 H ATOM 39321 H2 TIP3 2606 66.933 65.337 -11.622 1.00 0.00 WT3 H ATOM 39322 OH2 TIP3 2607 66.064 51.267 58.621 1.00 0.00 WT3 O ATOM 39323 H1 TIP3 2607 66.557 51.249 57.800 1.00 0.00 WT3 H ATOM 39324 H2 TIP3 2607 65.181 51.533 58.365 1.00 0.00 WT3 H ATOM 39325 OH2 TIP3 2608 44.406 48.198 -12.198 1.00 0.00 WT3 O ATOM 39326 H1 TIP3 2608 43.606 48.718 -12.115 1.00 0.00 WT3 H ATOM 39327 H2 TIP3 2608 44.821 48.257 -11.337 1.00 0.00 WT3 H ATOM 39328 OH2 TIP3 2610 45.938 89.018 25.493 1.00 0.00 WT3 O ATOM 39329 H1 TIP3 2610 46.437 88.470 24.888 1.00 0.00 WT3 H ATOM 39330 H2 TIP3 2610 46.448 89.006 26.303 1.00 0.00 WT3 H ATOM 39331 OH2 TIP3 2616 81.276 41.573 -10.837 1.00 0.00 WT3 O ATOM 39332 H1 TIP3 2616 80.420 41.374 -10.458 1.00 0.00 WT3 H ATOM 39333 H2 TIP3 2616 81.781 41.940 -10.111 1.00 0.00 WT3 H ATOM 39334 OH2 TIP3 2617 27.150 83.711 -17.472 1.00 0.00 WT3 O ATOM 39335 H1 TIP3 2617 26.406 83.109 -17.445 1.00 0.00 WT3 H ATOM 39336 H2 TIP3 2617 27.756 83.315 -18.098 1.00 0.00 WT3 H ATOM 39337 OH2 TIP3 2624 86.306 65.891 50.878 1.00 0.00 WT3 O ATOM 39338 H1 TIP3 2624 85.444 66.306 50.914 1.00 0.00 WT3 H ATOM 39339 H2 TIP3 2624 86.131 64.961 51.022 1.00 0.00 WT3 H ATOM 39340 OH2 TIP3 2626 29.023 82.450 -18.937 1.00 0.00 WT3 O ATOM 39341 H1 TIP3 2626 29.729 83.043 -18.682 1.00 0.00 WT3 H ATOM 39342 H2 TIP3 2626 29.212 82.228 -19.849 1.00 0.00 WT3 H ATOM 39343 OH2 TIP3 2628 71.396 60.393 -14.716 1.00 0.00 WT3 O ATOM 39344 H1 TIP3 2628 71.699 61.255 -14.999 1.00 0.00 WT3 H ATOM 39345 H2 TIP3 2628 72.004 60.142 -14.020 1.00 0.00 WT3 H ATOM 39346 OH2 TIP3 2629 25.163 79.621 36.780 1.00 0.00 WT3 O ATOM 39347 H1 TIP3 2629 24.673 79.570 35.959 1.00 0.00 WT3 H ATOM 39348 H2 TIP3 2629 24.502 79.501 37.462 1.00 0.00 WT3 H ATOM 39349 OH2 TIP3 2630 86.284 94.987 55.341 1.00 0.00 WT3 O ATOM 39350 H1 TIP3 2630 85.715 94.222 55.430 1.00 0.00 WT3 H ATOM 39351 H2 TIP3 2630 86.244 95.416 56.196 1.00 0.00 WT3 H ATOM 39352 OH2 TIP3 2632 64.354 25.798 28.009 1.00 0.00 WT3 O ATOM 39353 H1 TIP3 2632 64.626 26.249 27.210 1.00 0.00 WT3 H ATOM 39354 H2 TIP3 2632 63.724 26.391 28.417 1.00 0.00 WT3 H ATOM 39355 OH2 TIP3 2633 48.952 29.466 0.380 1.00 0.00 WT3 O ATOM 39356 H1 TIP3 2633 48.562 28.620 0.160 1.00 0.00 WT3 H ATOM 39357 H2 TIP3 2633 49.720 29.246 0.908 1.00 0.00 WT3 H ATOM 39358 OH2 TIP3 2634 30.766 61.786 15.780 1.00 0.00 WT3 O ATOM 39359 H1 TIP3 2634 30.865 61.351 14.933 1.00 0.00 WT3 H ATOM 39360 H2 TIP3 2634 31.517 61.487 16.293 1.00 0.00 WT3 H ATOM 39361 OH2 TIP3 2638 82.276 27.347 -2.620 1.00 0.00 WT3 O ATOM 39362 H1 TIP3 2638 82.474 28.220 -2.959 1.00 0.00 WT3 H ATOM 39363 H2 TIP3 2638 82.867 27.240 -1.874 1.00 0.00 WT3 H ATOM 39364 OH2 TIP3 2644 76.061 60.691 -6.609 1.00 0.00 WT3 O ATOM 39365 H1 TIP3 2644 75.164 61.020 -6.664 1.00 0.00 WT3 H ATOM 39366 H2 TIP3 2644 76.076 59.934 -7.195 1.00 0.00 WT3 H ATOM 39367 OH2 TIP3 2646 72.514 14.745 -15.633 1.00 0.00 WT3 O ATOM 39368 H1 TIP3 2646 72.555 15.316 -14.866 1.00 0.00 WT3 H ATOM 39369 H2 TIP3 2646 72.246 15.322 -16.348 1.00 0.00 WT3 H ATOM 39370 OH2 TIP3 2649 59.700 60.138 -2.879 1.00 0.00 WT3 O ATOM 39371 H1 TIP3 2649 59.633 60.185 -1.925 1.00 0.00 WT3 H ATOM 39372 H2 TIP3 2649 59.107 60.820 -3.195 1.00 0.00 WT3 H ATOM 39373 OH2 TIP3 2650 72.917 20.749 51.174 1.00 0.00 WT3 O ATOM 39374 H1 TIP3 2650 73.768 20.625 50.753 1.00 0.00 WT3 H ATOM 39375 H2 TIP3 2650 72.384 21.192 50.513 1.00 0.00 WT3 H ATOM 39376 OH2 TIP3 2652 32.866 2.259 -10.293 1.00 0.00 WT3 O ATOM 39377 H1 TIP3 2652 32.450 2.246 -9.431 1.00 0.00 WT3 H ATOM 39378 H2 TIP3 2652 32.269 2.770 -10.839 1.00 0.00 WT3 H ATOM 39379 OH2 TIP3 2654 77.060 68.254 35.317 1.00 0.00 WT3 O ATOM 39380 H1 TIP3 2654 77.400 67.722 34.597 1.00 0.00 WT3 H ATOM 39381 H2 TIP3 2654 76.133 68.022 35.370 1.00 0.00 WT3 H ATOM 39382 OH2 TIP3 2656 43.515 38.951 24.804 1.00 0.00 WT3 O ATOM 39383 H1 TIP3 2656 43.641 39.833 24.453 1.00 0.00 WT3 H ATOM 39384 H2 TIP3 2656 44.398 38.587 24.862 1.00 0.00 WT3 H ATOM 39385 OH2 TIP3 2657 41.545 68.554 8.113 1.00 0.00 WT3 O ATOM 39386 H1 TIP3 2657 41.767 68.599 9.043 1.00 0.00 WT3 H ATOM 39387 H2 TIP3 2657 41.410 67.621 7.944 1.00 0.00 WT3 H ATOM 39388 OH2 TIP3 2659 90.630 70.561 56.784 1.00 0.00 WT3 O ATOM 39389 H1 TIP3 2659 90.959 70.755 57.662 1.00 0.00 WT3 H ATOM 39390 H2 TIP3 2659 90.074 69.791 56.902 1.00 0.00 WT3 H ATOM 39391 OH2 TIP3 2661 89.410 25.513 63.509 1.00 0.00 WT3 O ATOM 39392 H1 TIP3 2661 89.612 25.029 64.310 1.00 0.00 WT3 H ATOM 39393 H2 TIP3 2661 88.457 25.462 63.432 1.00 0.00 WT3 H ATOM 39394 OH2 TIP3 2665 29.251 0.173 26.101 1.00 0.00 WT3 O ATOM 39395 H1 TIP3 2665 29.598 1.024 25.835 1.00 0.00 WT3 H ATOM 39396 H2 TIP3 2665 29.748 -0.053 26.887 1.00 0.00 WT3 H ATOM 39397 OH2 TIP3 2667 43.336 78.773 14.363 1.00 0.00 WT3 O ATOM 39398 H1 TIP3 2667 43.051 78.504 15.236 1.00 0.00 WT3 H ATOM 39399 H2 TIP3 2667 43.941 78.085 14.085 1.00 0.00 WT3 H ATOM 39400 OH2 TIP3 2669 78.723 39.609 45.087 1.00 0.00 WT3 O ATOM 39401 H1 TIP3 2669 77.968 39.870 44.560 1.00 0.00 WT3 H ATOM 39402 H2 TIP3 2669 79.065 38.831 44.647 1.00 0.00 WT3 H ATOM 39403 OH2 TIP3 2670 74.878 14.714 51.810 1.00 0.00 WT3 O ATOM 39404 H1 TIP3 2670 74.192 14.227 52.267 1.00 0.00 WT3 H ATOM 39405 H2 TIP3 2670 74.477 14.971 50.979 1.00 0.00 WT3 H ATOM 39406 OH2 TIP3 2672 29.826 50.403 -1.087 1.00 0.00 WT3 O ATOM 39407 H1 TIP3 2672 29.522 50.561 -1.981 1.00 0.00 WT3 H ATOM 39408 H2 TIP3 2672 30.219 49.531 -1.118 1.00 0.00 WT3 H ATOM 39409 OH2 TIP3 2673 69.359 5.841 48.745 1.00 0.00 WT3 O ATOM 39410 H1 TIP3 2673 69.216 6.457 48.027 1.00 0.00 WT3 H ATOM 39411 H2 TIP3 2673 69.317 4.978 48.333 1.00 0.00 WT3 H ATOM 39412 OH2 TIP3 2675 40.141 38.646 28.585 1.00 0.00 WT3 O ATOM 39413 H1 TIP3 2675 40.583 38.067 27.963 1.00 0.00 WT3 H ATOM 39414 H2 TIP3 2675 40.704 39.418 28.636 1.00 0.00 WT3 H ATOM 39415 OH2 TIP3 2676 35.774 27.164 9.721 1.00 0.00 WT3 O ATOM 39416 H1 TIP3 2676 35.392 26.439 10.215 1.00 0.00 WT3 H ATOM 39417 H2 TIP3 2676 35.246 27.924 9.962 1.00 0.00 WT3 H ATOM 39418 OH2 TIP3 2677 86.917 8.605 -18.567 1.00 0.00 WT3 O ATOM 39419 H1 TIP3 2677 87.850 8.421 -18.456 1.00 0.00 WT3 H ATOM 39420 H2 TIP3 2677 86.849 9.556 -18.491 1.00 0.00 WT3 H ATOM 39421 OH2 TIP3 2678 28.864 21.983 7.013 1.00 0.00 WT3 O ATOM 39422 H1 TIP3 2678 29.558 21.518 6.547 1.00 0.00 WT3 H ATOM 39423 H2 TIP3 2678 29.313 22.429 7.731 1.00 0.00 WT3 H ATOM 39424 OH2 TIP3 2680 49.093 15.809 -5.453 1.00 0.00 WT3 O ATOM 39425 H1 TIP3 2680 48.189 16.077 -5.616 1.00 0.00 WT3 H ATOM 39426 H2 TIP3 2680 49.022 15.091 -4.824 1.00 0.00 WT3 H ATOM 39427 OH2 TIP3 2681 61.103 0.762 36.048 1.00 0.00 WT3 O ATOM 39428 H1 TIP3 2681 61.011 1.715 36.068 1.00 0.00 WT3 H ATOM 39429 H2 TIP3 2681 60.490 0.476 35.371 1.00 0.00 WT3 H ATOM 39430 OH2 TIP3 2682 86.065 61.789 31.980 1.00 0.00 WT3 O ATOM 39431 H1 TIP3 2682 86.209 62.049 31.070 1.00 0.00 WT3 H ATOM 39432 H2 TIP3 2682 86.938 61.574 32.309 1.00 0.00 WT3 H ATOM 39433 OH2 TIP3 2684 66.356 1.091 18.060 1.00 0.00 WT3 O ATOM 39434 H1 TIP3 2684 66.814 0.503 18.659 1.00 0.00 WT3 H ATOM 39435 H2 TIP3 2684 67.032 1.697 17.755 1.00 0.00 WT3 H ATOM 39436 OH2 TIP3 2685 56.537 13.294 39.048 1.00 0.00 WT3 O ATOM 39437 H1 TIP3 2685 56.174 12.947 39.863 1.00 0.00 WT3 H ATOM 39438 H2 TIP3 2685 55.816 13.787 38.655 1.00 0.00 WT3 H ATOM 39439 OH2 TIP3 2688 36.946 51.034 31.843 1.00 0.00 WT3 O ATOM 39440 H1 TIP3 2688 36.999 51.545 31.036 1.00 0.00 WT3 H ATOM 39441 H2 TIP3 2688 37.666 51.361 32.382 1.00 0.00 WT3 H ATOM 39442 OH2 TIP3 2689 51.681 52.112 48.544 1.00 0.00 WT3 O ATOM 39443 H1 TIP3 2689 50.881 52.523 48.870 1.00 0.00 WT3 H ATOM 39444 H2 TIP3 2689 51.462 51.182 48.476 1.00 0.00 WT3 H ATOM 39445 OH2 TIP3 2690 81.049 79.566 31.299 1.00 0.00 WT3 O ATOM 39446 H1 TIP3 2690 80.740 80.397 30.938 1.00 0.00 WT3 H ATOM 39447 H2 TIP3 2690 81.450 79.116 30.556 1.00 0.00 WT3 H ATOM 39448 OH2 TIP3 2691 73.053 34.049 36.091 1.00 0.00 WT3 O ATOM 39449 H1 TIP3 2691 73.542 33.316 36.466 1.00 0.00 WT3 H ATOM 39450 H2 TIP3 2691 73.337 34.083 35.177 1.00 0.00 WT3 H ATOM 39451 OH2 TIP3 2692 27.115 41.624 28.889 1.00 0.00 WT3 O ATOM 39452 H1 TIP3 2692 27.104 40.856 28.317 1.00 0.00 WT3 H ATOM 39453 H2 TIP3 2692 26.863 42.350 28.320 1.00 0.00 WT3 H ATOM 39454 OH2 TIP3 2693 70.148 63.936 58.698 1.00 0.00 WT3 O ATOM 39455 H1 TIP3 2693 70.459 64.313 59.521 1.00 0.00 WT3 H ATOM 39456 H2 TIP3 2693 70.288 64.627 58.050 1.00 0.00 WT3 H ATOM 39457 OH2 TIP3 2694 69.805 58.020 -10.818 1.00 0.00 WT3 O ATOM 39458 H1 TIP3 2694 69.027 57.463 -10.849 1.00 0.00 WT3 H ATOM 39459 H2 TIP3 2694 70.496 57.449 -10.481 1.00 0.00 WT3 H ATOM 39460 OH2 TIP3 2695 66.917 62.154 19.837 1.00 0.00 WT3 O ATOM 39461 H1 TIP3 2695 65.986 62.009 19.668 1.00 0.00 WT3 H ATOM 39462 H2 TIP3 2695 67.258 61.289 20.062 1.00 0.00 WT3 H ATOM 39463 OH2 TIP3 2697 77.397 68.036 -13.273 1.00 0.00 WT3 O ATOM 39464 H1 TIP3 2697 78.300 68.170 -12.986 1.00 0.00 WT3 H ATOM 39465 H2 TIP3 2697 77.419 67.212 -13.759 1.00 0.00 WT3 H ATOM 39466 OH2 TIP3 2698 66.378 23.428 46.342 1.00 0.00 WT3 O ATOM 39467 H1 TIP3 2698 65.841 23.917 45.719 1.00 0.00 WT3 H ATOM 39468 H2 TIP3 2698 66.982 22.925 45.795 1.00 0.00 WT3 H ATOM 39469 OH2 TIP3 2699 37.057 66.944 29.956 1.00 0.00 WT3 O ATOM 39470 H1 TIP3 2699 36.728 66.068 29.754 1.00 0.00 WT3 H ATOM 39471 H2 TIP3 2699 37.942 66.957 29.593 1.00 0.00 WT3 H ATOM 39472 OH2 TIP3 2701 85.320 65.371 -14.775 1.00 0.00 WT3 O ATOM 39473 H1 TIP3 2701 84.582 65.038 -14.264 1.00 0.00 WT3 H ATOM 39474 H2 TIP3 2701 85.561 66.190 -14.342 1.00 0.00 WT3 H ATOM 39475 OH2 TIP3 2702 87.414 75.750 54.560 1.00 0.00 WT3 O ATOM 39476 H1 TIP3 2702 86.912 76.505 54.868 1.00 0.00 WT3 H ATOM 39477 H2 TIP3 2702 88.136 75.672 55.183 1.00 0.00 WT3 H ATOM 39478 OH2 TIP3 2705 50.412 18.459 29.152 1.00 0.00 WT3 O ATOM 39479 H1 TIP3 2705 51.059 19.106 28.871 1.00 0.00 WT3 H ATOM 39480 H2 TIP3 2705 49.608 18.711 28.698 1.00 0.00 WT3 H ATOM 39481 OH2 TIP3 2706 48.958 65.093 13.178 1.00 0.00 WT3 O ATOM 39482 H1 TIP3 2706 49.105 66.033 13.282 1.00 0.00 WT3 H ATOM 39483 H2 TIP3 2706 49.376 64.698 13.943 1.00 0.00 WT3 H ATOM 39484 OH2 TIP3 2707 63.336 77.389 5.940 1.00 0.00 WT3 O ATOM 39485 H1 TIP3 2707 62.792 77.493 6.721 1.00 0.00 WT3 H ATOM 39486 H2 TIP3 2707 63.261 76.461 5.718 1.00 0.00 WT3 H ATOM 39487 OH2 TIP3 2709 54.000 56.331 0.479 1.00 0.00 WT3 O ATOM 39488 H1 TIP3 2709 54.070 56.055 1.392 1.00 0.00 WT3 H ATOM 39489 H2 TIP3 2709 53.262 56.941 0.468 1.00 0.00 WT3 H ATOM 39490 OH2 TIP3 2710 38.094 10.171 -6.542 1.00 0.00 WT3 O ATOM 39491 H1 TIP3 2710 38.769 10.186 -7.220 1.00 0.00 WT3 H ATOM 39492 H2 TIP3 2710 37.369 9.685 -6.935 1.00 0.00 WT3 H ATOM 39493 OH2 TIP3 2713 23.835 84.735 43.849 1.00 0.00 WT3 O ATOM 39494 H1 TIP3 2713 23.804 84.831 42.897 1.00 0.00 WT3 H ATOM 39495 H2 TIP3 2713 22.922 84.601 44.106 1.00 0.00 WT3 H ATOM 39496 OH2 TIP3 2714 80.271 53.032 -12.397 1.00 0.00 WT3 O ATOM 39497 H1 TIP3 2714 79.758 53.718 -12.824 1.00 0.00 WT3 H ATOM 39498 H2 TIP3 2714 79.680 52.663 -11.740 1.00 0.00 WT3 H ATOM 39499 OH2 TIP3 2715 27.686 38.214 48.482 1.00 0.00 WT3 O ATOM 39500 H1 TIP3 2715 28.225 38.239 47.691 1.00 0.00 WT3 H ATOM 39501 H2 TIP3 2715 26.833 38.546 48.202 1.00 0.00 WT3 H ATOM 39502 OH2 TIP3 2717 39.322 25.838 67.104 1.00 0.00 WT3 O ATOM 39503 H1 TIP3 2717 38.435 26.158 66.940 1.00 0.00 WT3 H ATOM 39504 H2 TIP3 2717 39.212 24.902 67.275 1.00 0.00 WT3 H ATOM 39505 OH2 TIP3 2718 32.937 65.847 67.020 1.00 0.00 WT3 O ATOM 39506 H1 TIP3 2718 32.747 65.245 67.739 1.00 0.00 WT3 H ATOM 39507 H2 TIP3 2718 33.572 65.380 66.478 1.00 0.00 WT3 H ATOM 39508 OH2 TIP3 2719 69.808 76.573 16.165 1.00 0.00 WT3 O ATOM 39509 H1 TIP3 2719 69.714 77.349 15.612 1.00 0.00 WT3 H ATOM 39510 H2 TIP3 2719 70.745 76.529 16.359 1.00 0.00 WT3 H ATOM 39511 OH2 TIP3 2720 24.571 54.762 52.094 1.00 0.00 WT3 O ATOM 39512 H1 TIP3 2720 24.480 54.731 53.046 1.00 0.00 WT3 H ATOM 39513 H2 TIP3 2720 25.497 54.951 51.947 1.00 0.00 WT3 H ATOM 39514 OH2 TIP3 2723 55.701 36.416 12.585 1.00 0.00 WT3 O ATOM 39515 H1 TIP3 2723 54.924 36.948 12.756 1.00 0.00 WT3 H ATOM 39516 H2 TIP3 2723 55.559 35.616 13.091 1.00 0.00 WT3 H ATOM 39517 OH2 TIP3 2724 49.066 74.819 -4.315 1.00 0.00 WT3 O ATOM 39518 H1 TIP3 2724 49.728 75.484 -4.503 1.00 0.00 WT3 H ATOM 39519 H2 TIP3 2724 49.568 74.050 -4.045 1.00 0.00 WT3 H ATOM 39520 OH2 TIP3 2726 68.196 16.694 64.900 1.00 0.00 WT3 O ATOM 39521 H1 TIP3 2726 68.290 16.111 64.146 1.00 0.00 WT3 H ATOM 39522 H2 TIP3 2726 67.425 16.365 65.362 1.00 0.00 WT3 H ATOM 39523 OH2 TIP3 2727 30.827 87.941 61.828 1.00 0.00 WT3 O ATOM 39524 H1 TIP3 2727 30.222 87.680 61.134 1.00 0.00 WT3 H ATOM 39525 H2 TIP3 2727 31.525 87.286 61.797 1.00 0.00 WT3 H ATOM 39526 OH2 TIP3 2731 29.804 55.584 -15.551 1.00 0.00 WT3 O ATOM 39527 H1 TIP3 2731 29.352 54.802 -15.867 1.00 0.00 WT3 H ATOM 39528 H2 TIP3 2731 29.102 56.209 -15.368 1.00 0.00 WT3 H ATOM 39529 OH2 TIP3 2732 39.326 9.231 31.458 1.00 0.00 WT3 O ATOM 39530 H1 TIP3 2732 38.826 10.031 31.295 1.00 0.00 WT3 H ATOM 39531 H2 TIP3 2732 39.207 8.708 30.665 1.00 0.00 WT3 H ATOM 39532 OH2 TIP3 2734 63.578 93.834 50.470 1.00 0.00 WT3 O ATOM 39533 H1 TIP3 2734 63.358 93.560 51.361 1.00 0.00 WT3 H ATOM 39534 H2 TIP3 2734 63.282 94.742 50.417 1.00 0.00 WT3 H ATOM 39535 OH2 TIP3 2735 70.195 95.036 22.844 1.00 0.00 WT3 O ATOM 39536 H1 TIP3 2735 70.345 95.980 22.910 1.00 0.00 WT3 H ATOM 39537 H2 TIP3 2735 69.252 94.952 22.703 1.00 0.00 WT3 H ATOM 39538 OH2 TIP3 2736 52.017 80.758 48.276 1.00 0.00 WT3 O ATOM 39539 H1 TIP3 2736 52.201 79.831 48.431 1.00 0.00 WT3 H ATOM 39540 H2 TIP3 2736 52.007 80.844 47.323 1.00 0.00 WT3 H ATOM 39541 OH2 TIP3 2737 45.438 58.618 66.606 1.00 0.00 WT3 O ATOM 39542 H1 TIP3 2737 45.145 59.370 67.121 1.00 0.00 WT3 H ATOM 39543 H2 TIP3 2737 46.098 58.977 66.013 1.00 0.00 WT3 H ATOM 39544 OH2 TIP3 2738 67.474 70.067 10.728 1.00 0.00 WT3 O ATOM 39545 H1 TIP3 2738 67.797 69.173 10.620 1.00 0.00 WT3 H ATOM 39546 H2 TIP3 2738 66.986 70.244 9.924 1.00 0.00 WT3 H ATOM 39547 OH2 TIP3 2739 45.281 30.263 56.958 1.00 0.00 WT3 O ATOM 39548 H1 TIP3 2739 44.795 30.833 57.554 1.00 0.00 WT3 H ATOM 39549 H2 TIP3 2739 46.027 29.957 57.474 1.00 0.00 WT3 H ATOM 39550 OH2 TIP3 2740 51.501 72.185 -6.386 1.00 0.00 WT3 O ATOM 39551 H1 TIP3 2740 51.203 71.276 -6.348 1.00 0.00 WT3 H ATOM 39552 H2 TIP3 2740 51.090 72.539 -7.175 1.00 0.00 WT3 H ATOM 39553 OH2 TIP3 2741 83.352 89.368 57.230 1.00 0.00 WT3 O ATOM 39554 H1 TIP3 2741 82.765 89.385 56.474 1.00 0.00 WT3 H ATOM 39555 H2 TIP3 2741 83.405 88.444 57.473 1.00 0.00 WT3 H ATOM 39556 OH2 TIP3 2742 75.548 95.306 62.804 1.00 0.00 WT3 O ATOM 39557 H1 TIP3 2742 76.188 94.725 63.216 1.00 0.00 WT3 H ATOM 39558 H2 TIP3 2742 75.979 95.608 62.004 1.00 0.00 WT3 H ATOM 39559 OH2 TIP3 2743 25.507 35.063 -4.111 1.00 0.00 WT3 O ATOM 39560 H1 TIP3 2743 25.590 35.050 -5.064 1.00 0.00 WT3 H ATOM 39561 H2 TIP3 2743 25.551 35.990 -3.878 1.00 0.00 WT3 H ATOM 39562 OH2 TIP3 2746 23.255 71.355 28.770 1.00 0.00 WT3 O ATOM 39563 H1 TIP3 2746 22.776 70.573 28.496 1.00 0.00 WT3 H ATOM 39564 H2 TIP3 2746 24.147 71.214 28.451 1.00 0.00 WT3 H ATOM 39565 OH2 TIP3 2748 26.756 53.657 45.296 1.00 0.00 WT3 O ATOM 39566 H1 TIP3 2748 27.299 52.903 45.070 1.00 0.00 WT3 H ATOM 39567 H2 TIP3 2748 25.973 53.561 44.753 1.00 0.00 WT3 H ATOM 39568 OH2 TIP3 2752 47.460 67.157 56.210 1.00 0.00 WT3 O ATOM 39569 H1 TIP3 2752 47.643 66.895 57.112 1.00 0.00 WT3 H ATOM 39570 H2 TIP3 2752 47.421 66.333 55.724 1.00 0.00 WT3 H ATOM 39571 OH2 TIP3 2753 30.709 78.408 30.633 1.00 0.00 WT3 O ATOM 39572 H1 TIP3 2753 31.581 78.013 30.613 1.00 0.00 WT3 H ATOM 39573 H2 TIP3 2753 30.539 78.660 29.725 1.00 0.00 WT3 H ATOM 39574 OH2 TIP3 2754 22.471 21.737 61.298 1.00 0.00 WT3 O ATOM 39575 H1 TIP3 2754 22.236 22.502 61.824 1.00 0.00 WT3 H ATOM 39576 H2 TIP3 2754 23.078 22.076 60.640 1.00 0.00 WT3 H ATOM 39577 OH2 TIP3 2755 45.997 88.844 40.122 1.00 0.00 WT3 O ATOM 39578 H1 TIP3 2755 45.539 88.006 40.063 1.00 0.00 WT3 H ATOM 39579 H2 TIP3 2755 46.313 89.008 39.234 1.00 0.00 WT3 H ATOM 39580 OH2 TIP3 2756 48.003 50.696 -19.478 1.00 0.00 WT3 O ATOM 39581 H1 TIP3 2756 47.181 50.830 -19.950 1.00 0.00 WT3 H ATOM 39582 H2 TIP3 2756 47.737 50.555 -18.569 1.00 0.00 WT3 H ATOM 39583 OH2 TIP3 2757 46.111 87.117 22.882 1.00 0.00 WT3 O ATOM 39584 H1 TIP3 2757 46.519 87.625 22.180 1.00 0.00 WT3 H ATOM 39585 H2 TIP3 2757 45.206 86.994 22.594 1.00 0.00 WT3 H ATOM 39586 OH2 TIP3 2758 76.872 30.452 50.259 1.00 0.00 WT3 O ATOM 39587 H1 TIP3 2758 77.737 30.218 49.924 1.00 0.00 WT3 H ATOM 39588 H2 TIP3 2758 76.273 30.247 49.541 1.00 0.00 WT3 H ATOM 39589 OH2 TIP3 2760 52.604 88.167 -16.317 1.00 0.00 WT3 O ATOM 39590 H1 TIP3 2760 52.856 88.164 -17.240 1.00 0.00 WT3 H ATOM 39591 H2 TIP3 2760 53.156 87.496 -15.915 1.00 0.00 WT3 H ATOM 39592 OH2 TIP3 2762 38.043 21.688 18.921 1.00 0.00 WT3 O ATOM 39593 H1 TIP3 2762 38.578 20.896 18.877 1.00 0.00 WT3 H ATOM 39594 H2 TIP3 2762 38.676 22.405 18.962 1.00 0.00 WT3 H ATOM 39595 OH2 TIP3 2763 67.276 86.951 20.773 1.00 0.00 WT3 O ATOM 39596 H1 TIP3 2763 66.848 86.165 21.115 1.00 0.00 WT3 H ATOM 39597 H2 TIP3 2763 67.036 87.642 21.391 1.00 0.00 WT3 H ATOM 39598 OH2 TIP3 2764 86.554 42.682 58.724 1.00 0.00 WT3 O ATOM 39599 H1 TIP3 2764 87.167 43.191 59.255 1.00 0.00 WT3 H ATOM 39600 H2 TIP3 2764 87.050 41.906 58.462 1.00 0.00 WT3 H ATOM 39601 OH2 TIP3 2765 39.375 66.222 52.934 1.00 0.00 WT3 O ATOM 39602 H1 TIP3 2765 39.247 67.085 53.328 1.00 0.00 WT3 H ATOM 39603 H2 TIP3 2765 38.630 65.705 53.243 1.00 0.00 WT3 H ATOM 39604 OH2 TIP3 2766 58.383 70.155 65.168 1.00 0.00 WT3 O ATOM 39605 H1 TIP3 2766 58.440 70.749 65.916 1.00 0.00 WT3 H ATOM 39606 H2 TIP3 2766 57.684 70.519 64.625 1.00 0.00 WT3 H ATOM 39607 OH2 TIP3 2768 58.849 8.517 38.138 1.00 0.00 WT3 O ATOM 39608 H1 TIP3 2768 58.316 9.018 38.755 1.00 0.00 WT3 H ATOM 39609 H2 TIP3 2768 58.828 9.030 37.330 1.00 0.00 WT3 H ATOM 39610 OH2 TIP3 2769 58.434 82.717 20.558 1.00 0.00 WT3 O ATOM 39611 H1 TIP3 2769 57.969 81.890 20.687 1.00 0.00 WT3 H ATOM 39612 H2 TIP3 2769 58.811 82.916 21.415 1.00 0.00 WT3 H ATOM 39613 OH2 TIP3 2771 69.792 85.304 12.511 1.00 0.00 WT3 O ATOM 39614 H1 TIP3 2771 69.623 85.912 11.791 1.00 0.00 WT3 H ATOM 39615 H2 TIP3 2771 69.428 84.471 12.212 1.00 0.00 WT3 H ATOM 39616 OH2 TIP3 2772 20.430 89.035 16.071 1.00 0.00 WT3 O ATOM 39617 H1 TIP3 2772 20.553 89.248 16.996 1.00 0.00 WT3 H ATOM 39618 H2 TIP3 2772 20.077 88.145 16.075 1.00 0.00 WT3 H ATOM 39619 OH2 TIP3 2774 30.025 93.970 14.666 1.00 0.00 WT3 O ATOM 39620 H1 TIP3 2774 29.983 93.084 15.026 1.00 0.00 WT3 H ATOM 39621 H2 TIP3 2774 30.843 93.990 14.170 1.00 0.00 WT3 H ATOM 39622 OH2 TIP3 2775 72.376 65.610 2.660 1.00 0.00 WT3 O ATOM 39623 H1 TIP3 2775 71.728 65.443 3.345 1.00 0.00 WT3 H ATOM 39624 H2 TIP3 2775 72.566 66.545 2.733 1.00 0.00 WT3 H ATOM 39625 OH2 TIP3 2776 60.643 75.064 39.089 1.00 0.00 WT3 O ATOM 39626 H1 TIP3 2776 60.601 74.966 40.041 1.00 0.00 WT3 H ATOM 39627 H2 TIP3 2776 59.863 75.572 38.866 1.00 0.00 WT3 H ATOM 39628 OH2 TIP3 2777 41.313 93.888 45.422 1.00 0.00 WT3 O ATOM 39629 H1 TIP3 2777 42.227 93.966 45.149 1.00 0.00 WT3 H ATOM 39630 H2 TIP3 2777 41.163 92.945 45.491 1.00 0.00 WT3 H ATOM 39631 OH2 TIP3 2778 83.791 35.168 24.971 1.00 0.00 WT3 O ATOM 39632 H1 TIP3 2778 83.285 35.904 25.316 1.00 0.00 WT3 H ATOM 39633 H2 TIP3 2778 84.679 35.513 24.873 1.00 0.00 WT3 H ATOM 39634 OH2 TIP3 2779 37.088 67.196 -19.289 1.00 0.00 WT3 O ATOM 39635 H1 TIP3 2779 37.328 67.283 -20.212 1.00 0.00 WT3 H ATOM 39636 H2 TIP3 2779 37.139 68.087 -18.942 1.00 0.00 WT3 H ATOM 39637 OH2 TIP3 2780 30.270 0.843 4.206 1.00 0.00 WT3 O ATOM 39638 H1 TIP3 2780 30.044 1.586 3.646 1.00 0.00 WT3 H ATOM 39639 H2 TIP3 2780 30.965 0.387 3.732 1.00 0.00 WT3 H ATOM 39640 OH2 TIP3 2782 49.163 5.953 23.572 1.00 0.00 WT3 O ATOM 39641 H1 TIP3 2782 48.301 5.747 23.213 1.00 0.00 WT3 H ATOM 39642 H2 TIP3 2782 49.249 6.900 23.462 1.00 0.00 WT3 H ATOM 39643 OH2 TIP3 2783 81.456 63.792 12.072 1.00 0.00 WT3 O ATOM 39644 H1 TIP3 2783 81.747 63.013 12.546 1.00 0.00 WT3 H ATOM 39645 H2 TIP3 2783 80.502 63.775 12.146 1.00 0.00 WT3 H ATOM 39646 OH2 TIP3 2784 51.755 78.876 18.502 1.00 0.00 WT3 O ATOM 39647 H1 TIP3 2784 52.641 78.592 18.280 1.00 0.00 WT3 H ATOM 39648 H2 TIP3 2784 51.874 79.727 18.925 1.00 0.00 WT3 H ATOM 39649 OH2 TIP3 2785 66.940 55.570 64.411 1.00 0.00 WT3 O ATOM 39650 H1 TIP3 2785 66.093 55.858 64.071 1.00 0.00 WT3 H ATOM 39651 H2 TIP3 2785 67.578 56.141 63.983 1.00 0.00 WT3 H ATOM 39652 OH2 TIP3 2786 37.925 46.585 38.088 1.00 0.00 WT3 O ATOM 39653 H1 TIP3 2786 37.964 46.276 37.183 1.00 0.00 WT3 H ATOM 39654 H2 TIP3 2786 38.841 46.671 38.352 1.00 0.00 WT3 H ATOM 39655 OH2 TIP3 2791 82.097 89.451 27.948 1.00 0.00 WT3 O ATOM 39656 H1 TIP3 2791 81.311 89.984 27.823 1.00 0.00 WT3 H ATOM 39657 H2 TIP3 2791 81.783 88.658 28.382 1.00 0.00 WT3 H ATOM 39658 OH2 TIP3 2792 83.164 28.871 18.496 1.00 0.00 WT3 O ATOM 39659 H1 TIP3 2792 83.273 29.679 18.996 1.00 0.00 WT3 H ATOM 39660 H2 TIP3 2792 83.893 28.316 18.773 1.00 0.00 WT3 H ATOM 39661 OH2 TIP3 2794 35.733 85.810 16.787 1.00 0.00 WT3 O ATOM 39662 H1 TIP3 2794 35.585 86.198 17.649 1.00 0.00 WT3 H ATOM 39663 H2 TIP3 2794 35.000 85.206 16.666 1.00 0.00 WT3 H ATOM 39664 OH2 TIP3 2795 32.136 4.864 -12.679 1.00 0.00 WT3 O ATOM 39665 H1 TIP3 2795 32.568 5.700 -12.852 1.00 0.00 WT3 H ATOM 39666 H2 TIP3 2795 31.665 5.003 -11.857 1.00 0.00 WT3 H ATOM 39667 OH2 TIP3 2797 70.832 76.222 -3.741 1.00 0.00 WT3 O ATOM 39668 H1 TIP3 2797 70.201 75.874 -4.372 1.00 0.00 WT3 H ATOM 39669 H2 TIP3 2797 71.645 76.312 -4.239 1.00 0.00 WT3 H ATOM 39670 OH2 TIP3 2799 63.125 33.854 -1.281 1.00 0.00 WT3 O ATOM 39671 H1 TIP3 2799 62.486 34.532 -1.502 1.00 0.00 WT3 H ATOM 39672 H2 TIP3 2799 63.904 34.338 -1.006 1.00 0.00 WT3 H ATOM 39673 OH2 TIP3 2800 57.707 28.431 53.750 1.00 0.00 WT3 O ATOM 39674 H1 TIP3 2800 56.948 27.912 53.486 1.00 0.00 WT3 H ATOM 39675 H2 TIP3 2800 57.369 29.322 53.839 1.00 0.00 WT3 H ATOM 39676 OH2 TIP3 2801 40.721 9.972 4.571 1.00 0.00 WT3 O ATOM 39677 H1 TIP3 2801 41.394 9.917 3.893 1.00 0.00 WT3 H ATOM 39678 H2 TIP3 2801 40.288 10.811 4.413 1.00 0.00 WT3 H ATOM 39679 OH2 TIP3 2804 55.010 12.769 41.504 1.00 0.00 WT3 O ATOM 39680 H1 TIP3 2804 54.873 12.346 42.352 1.00 0.00 WT3 H ATOM 39681 H2 TIP3 2804 55.155 13.691 41.716 1.00 0.00 WT3 H ATOM 39682 OH2 TIP3 2805 64.015 75.302 55.671 1.00 0.00 WT3 O ATOM 39683 H1 TIP3 2805 63.123 74.961 55.732 1.00 0.00 WT3 H ATOM 39684 H2 TIP3 2805 64.171 75.398 54.731 1.00 0.00 WT3 H ATOM 39685 OH2 TIP3 2806 26.110 76.080 12.080 1.00 0.00 WT3 O ATOM 39686 H1 TIP3 2806 25.526 76.290 11.351 1.00 0.00 WT3 H ATOM 39687 H2 TIP3 2806 26.963 75.937 11.671 1.00 0.00 WT3 H ATOM 39688 OH2 TIP3 2808 55.424 34.693 1.870 1.00 0.00 WT3 O ATOM 39689 H1 TIP3 2808 54.882 34.147 1.299 1.00 0.00 WT3 H ATOM 39690 H2 TIP3 2808 54.903 34.798 2.666 1.00 0.00 WT3 H ATOM 39691 OH2 TIP3 2809 22.174 81.763 12.686 1.00 0.00 WT3 O ATOM 39692 H1 TIP3 2809 21.497 82.400 12.917 1.00 0.00 WT3 H ATOM 39693 H2 TIP3 2809 22.229 81.185 13.447 1.00 0.00 WT3 H ATOM 39694 OH2 TIP3 2810 42.298 65.589 54.830 1.00 0.00 WT3 O ATOM 39695 H1 TIP3 2810 43.035 65.125 55.227 1.00 0.00 WT3 H ATOM 39696 H2 TIP3 2810 42.162 65.149 53.991 1.00 0.00 WT3 H ATOM 39697 OH2 TIP3 2811 28.054 72.254 15.946 1.00 0.00 WT3 O ATOM 39698 H1 TIP3 2811 28.780 71.839 15.482 1.00 0.00 WT3 H ATOM 39699 H2 TIP3 2811 28.474 72.857 16.560 1.00 0.00 WT3 H ATOM 39700 OH2 TIP3 2813 77.207 61.707 61.182 1.00 0.00 WT3 O ATOM 39701 H1 TIP3 2813 76.262 61.682 61.035 1.00 0.00 WT3 H ATOM 39702 H2 TIP3 2813 77.449 60.795 61.346 1.00 0.00 WT3 H ATOM 39703 OH2 TIP3 2815 47.926 54.455 58.705 1.00 0.00 WT3 O ATOM 39704 H1 TIP3 2815 47.497 54.889 57.968 1.00 0.00 WT3 H ATOM 39705 H2 TIP3 2815 48.861 54.516 58.508 1.00 0.00 WT3 H ATOM 39706 OH2 TIP3 2817 40.678 69.499 65.713 1.00 0.00 WT3 O ATOM 39707 H1 TIP3 2817 40.198 68.681 65.585 1.00 0.00 WT3 H ATOM 39708 H2 TIP3 2817 40.550 69.710 66.638 1.00 0.00 WT3 H ATOM 39709 OH2 TIP3 2818 22.701 66.487 47.886 1.00 0.00 WT3 O ATOM 39710 H1 TIP3 2818 22.716 65.731 48.473 1.00 0.00 WT3 H ATOM 39711 H2 TIP3 2818 23.536 66.928 48.041 1.00 0.00 WT3 H ATOM 39712 OH2 TIP3 2820 42.335 48.274 15.272 1.00 0.00 WT3 O ATOM 39713 H1 TIP3 2820 43.135 47.850 15.583 1.00 0.00 WT3 H ATOM 39714 H2 TIP3 2820 42.211 49.017 15.863 1.00 0.00 WT3 H ATOM 39715 OH2 TIP3 2821 27.086 65.159 11.435 1.00 0.00 WT3 O ATOM 39716 H1 TIP3 2821 27.546 64.794 12.191 1.00 0.00 WT3 H ATOM 39717 H2 TIP3 2821 27.271 66.097 11.472 1.00 0.00 WT3 H ATOM 39718 OH2 TIP3 2824 86.591 21.790 11.983 1.00 0.00 WT3 O ATOM 39719 H1 TIP3 2824 86.480 20.855 11.807 1.00 0.00 WT3 H ATOM 39720 H2 TIP3 2824 87.056 22.125 11.217 1.00 0.00 WT3 H ATOM 39721 OH2 TIP3 2825 70.561 84.407 -9.601 1.00 0.00 WT3 O ATOM 39722 H1 TIP3 2825 69.806 84.861 -9.974 1.00 0.00 WT3 H ATOM 39723 H2 TIP3 2825 71.304 84.980 -9.790 1.00 0.00 WT3 H ATOM 39724 OH2 TIP3 2826 82.524 81.361 46.209 1.00 0.00 WT3 O ATOM 39725 H1 TIP3 2826 83.321 81.318 45.682 1.00 0.00 WT3 H ATOM 39726 H2 TIP3 2826 82.399 82.295 46.379 1.00 0.00 WT3 H ATOM 39727 OH2 TIP3 2827 34.254 62.003 4.686 1.00 0.00 WT3 O ATOM 39728 H1 TIP3 2827 34.890 62.717 4.642 1.00 0.00 WT3 H ATOM 39729 H2 TIP3 2827 33.841 62.103 5.544 1.00 0.00 WT3 H ATOM 39730 OH2 TIP3 2829 23.162 51.784 37.763 1.00 0.00 WT3 O ATOM 39731 H1 TIP3 2829 22.273 52.022 38.023 1.00 0.00 WT3 H ATOM 39732 H2 TIP3 2829 23.188 51.943 36.819 1.00 0.00 WT3 H ATOM 39733 OH2 TIP3 2830 77.399 9.144 45.788 1.00 0.00 WT3 O ATOM 39734 H1 TIP3 2830 76.989 10.009 45.810 1.00 0.00 WT3 H ATOM 39735 H2 TIP3 2830 78.332 9.325 45.671 1.00 0.00 WT3 H ATOM 39736 OH2 TIP3 2831 77.525 87.475 -1.050 1.00 0.00 WT3 O ATOM 39737 H1 TIP3 2831 77.896 88.142 -0.472 1.00 0.00 WT3 H ATOM 39738 H2 TIP3 2831 77.043 86.891 -0.464 1.00 0.00 WT3 H ATOM 39739 OH2 TIP3 2832 32.354 42.421 16.887 1.00 0.00 WT3 O ATOM 39740 H1 TIP3 2832 33.216 42.037 17.050 1.00 0.00 WT3 H ATOM 39741 H2 TIP3 2832 31.734 41.766 17.207 1.00 0.00 WT3 H ATOM 39742 OH2 TIP3 2833 71.399 81.867 36.495 1.00 0.00 WT3 O ATOM 39743 H1 TIP3 2833 70.773 81.422 37.067 1.00 0.00 WT3 H ATOM 39744 H2 TIP3 2833 70.865 82.219 35.782 1.00 0.00 WT3 H ATOM 39745 OH2 TIP3 2834 24.830 62.659 5.813 1.00 0.00 WT3 O ATOM 39746 H1 TIP3 2834 24.468 63.357 6.359 1.00 0.00 WT3 H ATOM 39747 H2 TIP3 2834 24.909 63.051 4.943 1.00 0.00 WT3 H ATOM 39748 OH2 TIP3 2835 33.917 40.403 31.571 1.00 0.00 WT3 O ATOM 39749 H1 TIP3 2835 34.766 40.843 31.529 1.00 0.00 WT3 H ATOM 39750 H2 TIP3 2835 33.341 40.939 31.027 1.00 0.00 WT3 H ATOM 39751 OH2 TIP3 2836 68.343 91.987 45.640 1.00 0.00 WT3 O ATOM 39752 H1 TIP3 2836 67.921 91.188 45.957 1.00 0.00 WT3 H ATOM 39753 H2 TIP3 2836 67.664 92.434 45.136 1.00 0.00 WT3 H ATOM 39754 OH2 TIP3 2837 49.626 3.972 -6.235 1.00 0.00 WT3 O ATOM 39755 H1 TIP3 2837 50.171 4.651 -6.633 1.00 0.00 WT3 H ATOM 39756 H2 TIP3 2837 50.195 3.205 -6.188 1.00 0.00 WT3 H ATOM 39757 OH2 TIP3 2842 57.468 89.628 54.182 1.00 0.00 WT3 O ATOM 39758 H1 TIP3 2842 56.875 88.905 53.976 1.00 0.00 WT3 H ATOM 39759 H2 TIP3 2842 58.328 89.323 53.890 1.00 0.00 WT3 H ATOM 39760 OH2 TIP3 2843 67.810 95.673 51.693 1.00 0.00 WT3 O ATOM 39761 H1 TIP3 2843 67.478 95.172 52.439 1.00 0.00 WT3 H ATOM 39762 H2 TIP3 2843 68.474 96.251 52.069 1.00 0.00 WT3 H ATOM 39763 OH2 TIP3 2844 28.008 40.776 41.993 1.00 0.00 WT3 O ATOM 39764 H1 TIP3 2844 27.638 40.092 42.550 1.00 0.00 WT3 H ATOM 39765 H2 TIP3 2844 27.789 40.504 41.102 1.00 0.00 WT3 H ATOM 39766 OH2 TIP3 2845 55.394 29.695 -7.179 1.00 0.00 WT3 O ATOM 39767 H1 TIP3 2845 55.074 30.455 -7.665 1.00 0.00 WT3 H ATOM 39768 H2 TIP3 2845 56.279 29.940 -6.907 1.00 0.00 WT3 H ATOM 39769 OH2 TIP3 2846 23.121 73.923 27.225 1.00 0.00 WT3 O ATOM 39770 H1 TIP3 2846 22.865 73.052 27.529 1.00 0.00 WT3 H ATOM 39771 H2 TIP3 2846 23.784 73.758 26.555 1.00 0.00 WT3 H ATOM 39772 OH2 TIP3 2847 36.586 74.640 26.082 1.00 0.00 WT3 O ATOM 39773 H1 TIP3 2847 37.160 73.975 26.463 1.00 0.00 WT3 H ATOM 39774 H2 TIP3 2847 36.964 74.818 25.221 1.00 0.00 WT3 H ATOM 39775 OH2 TIP3 2849 67.354 25.841 21.056 1.00 0.00 WT3 O ATOM 39776 H1 TIP3 2849 67.003 26.568 20.541 1.00 0.00 WT3 H ATOM 39777 H2 TIP3 2849 66.757 25.113 20.882 1.00 0.00 WT3 H ATOM 39778 OH2 TIP3 2852 53.557 34.460 63.624 1.00 0.00 WT3 O ATOM 39779 H1 TIP3 2852 53.538 33.893 64.395 1.00 0.00 WT3 H ATOM 39780 H2 TIP3 2852 53.867 33.894 62.917 1.00 0.00 WT3 H ATOM 39781 OH2 TIP3 2855 88.128 10.179 64.469 1.00 0.00 WT3 O ATOM 39782 H1 TIP3 2855 88.442 10.984 64.880 1.00 0.00 WT3 H ATOM 39783 H2 TIP3 2855 88.886 9.595 64.474 1.00 0.00 WT3 H ATOM 39784 OH2 TIP3 2856 77.822 94.074 57.941 1.00 0.00 WT3 O ATOM 39785 H1 TIP3 2856 77.441 94.173 57.068 1.00 0.00 WT3 H ATOM 39786 H2 TIP3 2856 78.061 94.963 58.201 1.00 0.00 WT3 H ATOM 39787 OH2 TIP3 2857 61.148 11.266 64.541 1.00 0.00 WT3 O ATOM 39788 H1 TIP3 2857 60.759 11.230 65.415 1.00 0.00 WT3 H ATOM 39789 H2 TIP3 2857 62.044 11.568 64.689 1.00 0.00 WT3 H ATOM 39790 OH2 TIP3 2862 24.860 35.581 34.402 1.00 0.00 WT3 O ATOM 39791 H1 TIP3 2862 25.030 35.175 33.552 1.00 0.00 WT3 H ATOM 39792 H2 TIP3 2862 23.926 35.790 34.385 1.00 0.00 WT3 H ATOM 39793 OH2 TIP3 2865 82.330 80.121 -5.983 1.00 0.00 WT3 O ATOM 39794 H1 TIP3 2865 81.969 80.945 -6.310 1.00 0.00 WT3 H ATOM 39795 H2 TIP3 2865 82.415 80.255 -5.039 1.00 0.00 WT3 H ATOM 39796 OH2 TIP3 2866 68.508 84.547 57.578 1.00 0.00 WT3 O ATOM 39797 H1 TIP3 2866 69.064 84.250 58.299 1.00 0.00 WT3 H ATOM 39798 H2 TIP3 2866 67.680 84.784 57.995 1.00 0.00 WT3 H ATOM 39799 OH2 TIP3 2868 72.551 92.058 9.216 1.00 0.00 WT3 O ATOM 39800 H1 TIP3 2868 71.884 92.548 9.698 1.00 0.00 WT3 H ATOM 39801 H2 TIP3 2868 72.779 92.625 8.479 1.00 0.00 WT3 H ATOM 39802 OH2 TIP3 2872 54.499 76.090 27.645 1.00 0.00 WT3 O ATOM 39803 H1 TIP3 2872 54.431 75.962 26.699 1.00 0.00 WT3 H ATOM 39804 H2 TIP3 2872 53.943 75.407 28.020 1.00 0.00 WT3 H ATOM 39805 OH2 TIP3 2873 46.475 12.561 31.504 1.00 0.00 WT3 O ATOM 39806 H1 TIP3 2873 46.863 11.689 31.570 1.00 0.00 WT3 H ATOM 39807 H2 TIP3 2873 47.180 13.158 31.757 1.00 0.00 WT3 H ATOM 39808 OH2 TIP3 2874 82.040 87.901 -15.529 1.00 0.00 WT3 O ATOM 39809 H1 TIP3 2874 82.174 87.031 -15.154 1.00 0.00 WT3 H ATOM 39810 H2 TIP3 2874 82.892 88.137 -15.896 1.00 0.00 WT3 H ATOM 39811 OH2 TIP3 2875 53.984 96.738 59.199 1.00 0.00 WT3 O ATOM 39812 H1 TIP3 2875 54.324 96.964 58.333 1.00 0.00 WT3 H ATOM 39813 H2 TIP3 2875 53.919 95.783 59.189 1.00 0.00 WT3 H ATOM 39814 OH2 TIP3 2876 23.381 52.848 34.811 1.00 0.00 WT3 O ATOM 39815 H1 TIP3 2876 22.948 52.014 34.630 1.00 0.00 WT3 H ATOM 39816 H2 TIP3 2876 23.402 53.296 33.965 1.00 0.00 WT3 H ATOM 39817 OH2 TIP3 2877 57.640 76.029 -14.988 1.00 0.00 WT3 O ATOM 39818 H1 TIP3 2877 58.513 75.696 -14.782 1.00 0.00 WT3 H ATOM 39819 H2 TIP3 2877 57.630 76.915 -14.626 1.00 0.00 WT3 H ATOM 39820 OH2 TIP3 2878 23.168 55.071 58.004 1.00 0.00 WT3 O ATOM 39821 H1 TIP3 2878 23.260 54.136 57.820 1.00 0.00 WT3 H ATOM 39822 H2 TIP3 2878 22.229 55.239 57.932 1.00 0.00 WT3 H ATOM 39823 OH2 TIP3 2885 26.724 47.023 28.727 1.00 0.00 WT3 O ATOM 39824 H1 TIP3 2885 25.864 47.379 28.955 1.00 0.00 WT3 H ATOM 39825 H2 TIP3 2885 26.719 46.979 27.771 1.00 0.00 WT3 H ATOM 39826 OH2 TIP3 2889 67.871 28.421 -4.798 1.00 0.00 WT3 O ATOM 39827 H1 TIP3 2889 67.536 28.438 -5.695 1.00 0.00 WT3 H ATOM 39828 H2 TIP3 2889 68.730 28.839 -4.855 1.00 0.00 WT3 H ATOM 39829 OH2 TIP3 2895 42.346 76.261 -9.284 1.00 0.00 WT3 O ATOM 39830 H1 TIP3 2895 42.544 75.478 -8.770 1.00 0.00 WT3 H ATOM 39831 H2 TIP3 2895 43.064 76.864 -9.090 1.00 0.00 WT3 H ATOM 39832 OH2 TIP3 2907 84.931 52.588 49.101 1.00 0.00 WT3 O ATOM 39833 H1 TIP3 2907 84.937 51.644 48.939 1.00 0.00 WT3 H ATOM 39834 H2 TIP3 2907 84.418 52.691 49.902 1.00 0.00 WT3 H ATOM 39835 OH2 TIP3 2910 21.344 60.473 62.762 1.00 0.00 WT3 O ATOM 39836 H1 TIP3 2910 20.581 60.648 63.313 1.00 0.00 WT3 H ATOM 39837 H2 TIP3 2910 21.577 61.327 62.397 1.00 0.00 WT3 H ATOM 39838 OH2 TIP3 2913 23.606 68.514 33.977 1.00 0.00 WT3 O ATOM 39839 H1 TIP3 2913 24.250 69.206 34.126 1.00 0.00 WT3 H ATOM 39840 H2 TIP3 2913 23.981 67.742 34.400 1.00 0.00 WT3 H ATOM 39841 OH2 TIP3 2926 22.229 40.894 -9.979 1.00 0.00 WT3 O ATOM 39842 H1 TIP3 2926 21.967 41.353 -9.181 1.00 0.00 WT3 H ATOM 39843 H2 TIP3 2926 21.403 40.673 -10.410 1.00 0.00 WT3 H ATOM 39844 OH2 TIP3 2944 78.564 87.161 -4.388 1.00 0.00 WT3 O ATOM 39845 H1 TIP3 2944 78.213 86.552 -5.038 1.00 0.00 WT3 H ATOM 39846 H2 TIP3 2944 79.462 86.865 -4.243 1.00 0.00 WT3 H ATOM 39847 OH2 TIP3 2957 26.285 70.622 19.781 1.00 0.00 WT3 O ATOM 39848 H1 TIP3 2957 25.368 70.449 19.566 1.00 0.00 WT3 H ATOM 39849 H2 TIP3 2957 26.534 69.905 20.365 1.00 0.00 WT3 H ATOM 39850 OH2 TIP3 3010 20.987 40.810 51.823 1.00 0.00 WT3 O ATOM 39851 H1 TIP3 3010 20.330 41.061 52.472 1.00 0.00 WT3 H ATOM 39852 H2 TIP3 3010 21.823 41.054 52.221 1.00 0.00 WT3 H ATOM 39853 OH2 TIP3 3012 70.967 81.188 65.114 1.00 0.00 WT3 O ATOM 39854 H1 TIP3 3012 71.179 81.880 64.488 1.00 0.00 WT3 H ATOM 39855 H2 TIP3 3012 70.692 80.449 64.570 1.00 0.00 WT3 H ATOM 39856 OH2 TIP3 3016 47.005 79.859 5.716 1.00 0.00 WT3 O ATOM 39857 H1 TIP3 3016 47.812 79.957 5.211 1.00 0.00 WT3 H ATOM 39858 H2 TIP3 3016 47.206 79.181 6.361 1.00 0.00 WT3 H ATOM 39859 OH2 TIP3 3024 72.267 36.300 37.455 1.00 0.00 WT3 O ATOM 39860 H1 TIP3 3024 72.549 35.644 36.818 1.00 0.00 WT3 H ATOM 39861 H2 TIP3 3024 71.447 36.642 37.100 1.00 0.00 WT3 H ATOM 39862 OH2 TIP3 3027 45.982 21.058 -6.549 1.00 0.00 WT3 O ATOM 39863 H1 TIP3 3027 46.716 20.909 -7.144 1.00 0.00 WT3 H ATOM 39864 H2 TIP3 3027 45.531 20.214 -6.509 1.00 0.00 WT3 H ATOM 39865 OH2 TIP3 3030 46.380 92.912 -5.886 1.00 0.00 WT3 O ATOM 39866 H1 TIP3 3030 46.322 92.272 -5.176 1.00 0.00 WT3 H ATOM 39867 H2 TIP3 3030 45.980 92.475 -6.637 1.00 0.00 WT3 H ATOM 39868 OH2 TIP3 3037 74.567 70.310 33.051 1.00 0.00 WT3 O ATOM 39869 H1 TIP3 3037 73.687 70.499 32.725 1.00 0.00 WT3 H ATOM 39870 H2 TIP3 3037 74.866 69.572 32.521 1.00 0.00 WT3 H ATOM 39871 OH2 TIP3 3042 23.933 81.700 65.485 1.00 0.00 WT3 O ATOM 39872 H1 TIP3 3042 24.643 82.264 65.178 1.00 0.00 WT3 H ATOM 39873 H2 TIP3 3042 24.326 81.181 66.187 1.00 0.00 WT3 H ATOM 39874 OH2 TIP3 3046 50.540 92.096 -12.962 1.00 0.00 WT3 O ATOM 39875 H1 TIP3 3046 50.823 92.415 -13.819 1.00 0.00 WT3 H ATOM 39876 H2 TIP3 3046 51.269 92.304 -12.377 1.00 0.00 WT3 H ATOM 39877 OH2 TIP3 3049 62.546 74.810 24.239 1.00 0.00 WT3 O ATOM 39878 H1 TIP3 3049 61.806 74.204 24.257 1.00 0.00 WT3 H ATOM 39879 H2 TIP3 3049 62.258 75.524 23.670 1.00 0.00 WT3 H ATOM 39880 OH2 TIP3 3050 64.104 48.886 56.103 1.00 0.00 WT3 O ATOM 39881 H1 TIP3 3050 63.966 49.831 56.045 1.00 0.00 WT3 H ATOM 39882 H2 TIP3 3050 64.197 48.601 55.193 1.00 0.00 WT3 H ATOM 39883 OH2 TIP3 3053 52.509 38.696 58.527 1.00 0.00 WT3 O ATOM 39884 H1 TIP3 3053 52.442 39.601 58.830 1.00 0.00 WT3 H ATOM 39885 H2 TIP3 3053 52.765 38.201 59.305 1.00 0.00 WT3 H ATOM 39886 OH2 TIP3 3057 49.086 75.288 -15.262 1.00 0.00 WT3 O ATOM 39887 H1 TIP3 3057 48.462 75.703 -15.858 1.00 0.00 WT3 H ATOM 39888 H2 TIP3 3057 49.881 75.815 -15.340 1.00 0.00 WT3 H ATOM 39889 OH2 TIP3 3059 57.078 1.259 12.432 1.00 0.00 WT3 O ATOM 39890 H1 TIP3 3059 57.979 1.503 12.646 1.00 0.00 WT3 H ATOM 39891 H2 TIP3 3059 56.726 2.021 11.971 1.00 0.00 WT3 H ATOM 39892 OH2 TIP3 3066 61.523 81.259 27.194 1.00 0.00 WT3 O ATOM 39893 H1 TIP3 3066 62.102 80.715 27.728 1.00 0.00 WT3 H ATOM 39894 H2 TIP3 3066 60.651 80.889 27.333 1.00 0.00 WT3 H ATOM 39895 OH2 TIP3 3070 83.329 94.844 59.093 1.00 0.00 WT3 O ATOM 39896 H1 TIP3 3070 83.180 94.420 59.939 1.00 0.00 WT3 H ATOM 39897 H2 TIP3 3070 83.115 94.172 58.447 1.00 0.00 WT3 H ATOM 39898 OH2 TIP3 3071 34.784 77.828 61.048 1.00 0.00 WT3 O ATOM 39899 H1 TIP3 3071 35.285 77.609 60.263 1.00 0.00 WT3 H ATOM 39900 H2 TIP3 3071 35.069 78.713 61.276 1.00 0.00 WT3 H ATOM 39901 OH2 TIP3 3072 59.297 29.947 -17.592 1.00 0.00 WT3 O ATOM 39902 H1 TIP3 3072 59.456 30.838 -17.904 1.00 0.00 WT3 H ATOM 39903 H2 TIP3 3072 60.115 29.692 -17.166 1.00 0.00 WT3 H ATOM 39904 OH2 TIP3 3073 63.985 68.268 50.463 1.00 0.00 WT3 O ATOM 39905 H1 TIP3 3073 63.641 67.485 50.033 1.00 0.00 WT3 H ATOM 39906 H2 TIP3 3073 64.892 68.048 50.672 1.00 0.00 WT3 H ATOM 39907 OH2 TIP3 3079 44.828 40.910 35.648 1.00 0.00 WT3 O ATOM 39908 H1 TIP3 3079 44.608 40.043 35.307 1.00 0.00 WT3 H ATOM 39909 H2 TIP3 3079 44.564 41.515 34.955 1.00 0.00 WT3 H ATOM 39910 OH2 TIP3 3080 66.082 58.840 63.144 1.00 0.00 WT3 O ATOM 39911 H1 TIP3 3080 65.350 58.434 62.679 1.00 0.00 WT3 H ATOM 39912 H2 TIP3 3080 65.706 59.130 63.975 1.00 0.00 WT3 H ATOM 39913 OH2 TIP3 3081 58.320 10.876 -17.604 1.00 0.00 WT3 O ATOM 39914 H1 TIP3 3081 58.934 10.785 -16.875 1.00 0.00 WT3 H ATOM 39915 H2 TIP3 3081 58.316 10.015 -18.023 1.00 0.00 WT3 H ATOM 39916 OH2 TIP3 3084 50.728 0.939 12.641 1.00 0.00 WT3 O ATOM 39917 H1 TIP3 3084 50.591 1.521 13.389 1.00 0.00 WT3 H ATOM 39918 H2 TIP3 3084 50.467 1.460 11.881 1.00 0.00 WT3 H ATOM 39919 OH2 TIP3 3085 29.518 77.478 63.094 1.00 0.00 WT3 O ATOM 39920 H1 TIP3 3085 30.039 78.263 63.264 1.00 0.00 WT3 H ATOM 39921 H2 TIP3 3085 29.840 76.836 63.727 1.00 0.00 WT3 H ATOM 39922 OH2 TIP3 3086 48.946 89.682 -13.699 1.00 0.00 WT3 O ATOM 39923 H1 TIP3 3086 49.202 88.936 -14.241 1.00 0.00 WT3 H ATOM 39924 H2 TIP3 3086 49.594 90.358 -13.899 1.00 0.00 WT3 H ATOM 39925 OH2 TIP3 3091 44.699 78.238 -17.752 1.00 0.00 WT3 O ATOM 39926 H1 TIP3 3091 45.412 78.856 -17.909 1.00 0.00 WT3 H ATOM 39927 H2 TIP3 3091 44.410 77.978 -18.627 1.00 0.00 WT3 H ATOM 39928 OH2 TIP3 3092 74.681 75.018 43.208 1.00 0.00 WT3 O ATOM 39929 H1 TIP3 3092 74.304 75.543 42.502 1.00 0.00 WT3 H ATOM 39930 H2 TIP3 3092 75.585 75.323 43.279 1.00 0.00 WT3 H ATOM 39931 OH2 TIP3 3095 77.452 19.655 61.421 1.00 0.00 WT3 O ATOM 39932 H1 TIP3 3095 77.831 20.450 61.795 1.00 0.00 WT3 H ATOM 39933 H2 TIP3 3095 77.241 19.892 60.517 1.00 0.00 WT3 H ATOM 39934 OH2 TIP3 3096 79.740 43.849 -3.908 1.00 0.00 WT3 O ATOM 39935 H1 TIP3 3096 79.098 44.526 -3.694 1.00 0.00 WT3 H ATOM 39936 H2 TIP3 3096 80.581 44.307 -3.906 1.00 0.00 WT3 H ATOM 39937 OH2 TIP3 3099 53.265 83.363 51.680 1.00 0.00 WT3 O ATOM 39938 H1 TIP3 3099 52.539 83.022 52.202 1.00 0.00 WT3 H ATOM 39939 H2 TIP3 3099 52.944 83.341 50.779 1.00 0.00 WT3 H ATOM 39940 OH2 TIP3 3101 78.022 66.625 -8.742 1.00 0.00 WT3 O ATOM 39941 H1 TIP3 3101 77.191 66.408 -8.319 1.00 0.00 WT3 H ATOM 39942 H2 TIP3 3101 78.048 67.581 -8.743 1.00 0.00 WT3 H ATOM 39943 OH2 TIP3 3103 85.504 61.122 47.746 1.00 0.00 WT3 O ATOM 39944 H1 TIP3 3103 86.450 60.982 47.717 1.00 0.00 WT3 H ATOM 39945 H2 TIP3 3103 85.404 62.064 47.888 1.00 0.00 WT3 H ATOM 39946 OH2 TIP3 3104 44.294 86.633 39.989 1.00 0.00 WT3 O ATOM 39947 H1 TIP3 3104 43.565 86.368 40.550 1.00 0.00 WT3 H ATOM 39948 H2 TIP3 3104 44.827 85.844 39.899 1.00 0.00 WT3 H ATOM 39949 OH2 TIP3 3105 54.425 6.494 52.225 1.00 0.00 WT3 O ATOM 39950 H1 TIP3 3105 54.590 5.811 52.874 1.00 0.00 WT3 H ATOM 39951 H2 TIP3 3105 55.024 7.201 52.463 1.00 0.00 WT3 H ATOM 39952 OH2 TIP3 3107 69.704 52.185 -1.110 1.00 0.00 WT3 O ATOM 39953 H1 TIP3 3107 69.606 51.572 -0.381 1.00 0.00 WT3 H ATOM 39954 H2 TIP3 3107 68.906 52.713 -1.089 1.00 0.00 WT3 H ATOM 39955 OH2 TIP3 3108 78.425 38.608 -7.192 1.00 0.00 WT3 O ATOM 39956 H1 TIP3 3108 78.862 37.895 -6.726 1.00 0.00 WT3 H ATOM 39957 H2 TIP3 3108 77.609 38.744 -6.711 1.00 0.00 WT3 H ATOM 39958 OH2 TIP3 3109 88.480 8.394 -9.876 1.00 0.00 WT3 O ATOM 39959 H1 TIP3 3109 88.756 9.291 -9.687 1.00 0.00 WT3 H ATOM 39960 H2 TIP3 3109 89.271 7.963 -10.199 1.00 0.00 WT3 H ATOM 39961 OH2 TIP3 3111 71.917 80.522 -17.962 1.00 0.00 WT3 O ATOM 39962 H1 TIP3 3111 72.074 80.933 -17.113 1.00 0.00 WT3 H ATOM 39963 H2 TIP3 3111 72.337 81.106 -18.594 1.00 0.00 WT3 H ATOM 39964 OH2 TIP3 3112 29.627 51.702 -10.609 1.00 0.00 WT3 O ATOM 39965 H1 TIP3 3112 30.136 52.508 -10.692 1.00 0.00 WT3 H ATOM 39966 H2 TIP3 3112 29.534 51.572 -9.665 1.00 0.00 WT3 H ATOM 39967 OH2 TIP3 3113 29.609 64.928 -2.634 1.00 0.00 WT3 O ATOM 39968 H1 TIP3 3113 29.319 64.035 -2.817 1.00 0.00 WT3 H ATOM 39969 H2 TIP3 3113 30.183 64.843 -1.873 1.00 0.00 WT3 H ATOM 39970 OH2 TIP3 3114 61.144 87.617 21.165 1.00 0.00 WT3 O ATOM 39971 H1 TIP3 3114 60.745 88.171 21.836 1.00 0.00 WT3 H ATOM 39972 H2 TIP3 3114 61.187 86.749 21.566 1.00 0.00 WT3 H ATOM 39973 OH2 TIP3 3115 28.204 77.822 -17.074 1.00 0.00 WT3 O ATOM 39974 H1 TIP3 3115 28.306 78.773 -17.036 1.00 0.00 WT3 H ATOM 39975 H2 TIP3 3115 28.126 77.552 -16.159 1.00 0.00 WT3 H ATOM 39976 OH2 TIP3 3116 81.309 42.176 -16.856 1.00 0.00 WT3 O ATOM 39977 H1 TIP3 3116 80.942 42.966 -16.461 1.00 0.00 WT3 H ATOM 39978 H2 TIP3 3116 81.378 42.383 -17.788 1.00 0.00 WT3 H ATOM 39979 OH2 TIP3 3119 73.131 85.608 14.089 1.00 0.00 WT3 O ATOM 39980 H1 TIP3 3119 73.012 84.874 13.486 1.00 0.00 WT3 H ATOM 39981 H2 TIP3 3119 73.526 85.217 14.868 1.00 0.00 WT3 H ATOM 39982 OH2 TIP3 3121 77.308 7.417 -3.465 1.00 0.00 WT3 O ATOM 39983 H1 TIP3 3121 76.995 8.304 -3.287 1.00 0.00 WT3 H ATOM 39984 H2 TIP3 3121 78.223 7.425 -3.185 1.00 0.00 WT3 H ATOM 39985 OH2 TIP3 3124 50.008 15.915 10.034 1.00 0.00 WT3 O ATOM 39986 H1 TIP3 3124 49.990 16.654 10.642 1.00 0.00 WT3 H ATOM 39987 H2 TIP3 3124 50.845 15.999 9.577 1.00 0.00 WT3 H ATOM 39988 OH2 TIP3 3129 26.633 87.896 -16.634 1.00 0.00 WT3 O ATOM 39989 H1 TIP3 3129 26.760 88.821 -16.846 1.00 0.00 WT3 H ATOM 39990 H2 TIP3 3129 26.048 87.901 -15.877 1.00 0.00 WT3 H ATOM 39991 OH2 TIP3 3131 39.880 7.596 8.919 1.00 0.00 WT3 O ATOM 39992 H1 TIP3 3131 39.921 6.898 9.572 1.00 0.00 WT3 H ATOM 39993 H2 TIP3 3131 39.596 8.368 9.410 1.00 0.00 WT3 H ATOM 39994 OH2 TIP3 3133 36.291 76.794 -5.190 1.00 0.00 WT3 O ATOM 39995 H1 TIP3 3133 36.450 76.344 -6.020 1.00 0.00 WT3 H ATOM 39996 H2 TIP3 3133 36.733 76.252 -4.536 1.00 0.00 WT3 H ATOM 39997 OH2 TIP3 3134 32.004 96.221 58.154 1.00 0.00 WT3 O ATOM 39998 H1 TIP3 3134 32.071 95.424 57.629 1.00 0.00 WT3 H ATOM 39999 H2 TIP3 3134 31.292 96.716 57.750 1.00 0.00 WT3 H ATOM 40000 OH2 TIP3 3136 30.184 87.150 41.645 1.00 0.00 WT3 O ATOM 40001 H1 TIP3 3136 29.617 87.062 42.411 1.00 0.00 WT3 H ATOM 40002 H2 TIP3 3136 30.984 87.550 41.984 1.00 0.00 WT3 H ATOM 40003 OH2 TIP3 3138 28.735 65.145 15.307 1.00 0.00 WT3 O ATOM 40004 H1 TIP3 3138 29.538 65.499 14.926 1.00 0.00 WT3 H ATOM 40005 H2 TIP3 3138 28.086 65.838 15.187 1.00 0.00 WT3 H ATOM 40006 OH2 TIP3 3139 20.695 15.719 -15.627 1.00 0.00 WT3 O ATOM 40007 H1 TIP3 3139 21.328 15.766 -14.911 1.00 0.00 WT3 H ATOM 40008 H2 TIP3 3139 20.714 16.591 -16.021 1.00 0.00 WT3 H ATOM 40009 OH2 TIP3 3140 30.637 55.939 61.555 1.00 0.00 WT3 O ATOM 40010 H1 TIP3 3140 30.242 55.895 62.426 1.00 0.00 WT3 H ATOM 40011 H2 TIP3 3140 30.404 56.809 61.230 1.00 0.00 WT3 H ATOM 40012 OH2 TIP3 3141 54.876 59.256 13.067 1.00 0.00 WT3 O ATOM 40013 H1 TIP3 3141 54.052 59.232 13.553 1.00 0.00 WT3 H ATOM 40014 H2 TIP3 3141 55.282 60.084 13.325 1.00 0.00 WT3 H ATOM 40015 OH2 TIP3 3143 77.853 76.531 2.335 1.00 0.00 WT3 O ATOM 40016 H1 TIP3 3143 78.399 77.110 2.866 1.00 0.00 WT3 H ATOM 40017 H2 TIP3 3143 77.198 77.110 1.946 1.00 0.00 WT3 H ATOM 40018 OH2 TIP3 3144 65.695 65.482 32.585 1.00 0.00 WT3 O ATOM 40019 H1 TIP3 3144 65.002 64.852 32.783 1.00 0.00 WT3 H ATOM 40020 H2 TIP3 3144 65.506 65.773 31.693 1.00 0.00 WT3 H ATOM 40021 OH2 TIP3 3150 62.746 51.174 6.820 1.00 0.00 WT3 O ATOM 40022 H1 TIP3 3150 61.968 51.244 7.374 1.00 0.00 WT3 H ATOM 40023 H2 TIP3 3150 63.481 51.244 7.430 1.00 0.00 WT3 H ATOM 40024 OH2 TIP3 3152 59.735 69.671 56.582 1.00 0.00 WT3 O ATOM 40025 H1 TIP3 3152 60.063 68.799 56.801 1.00 0.00 WT3 H ATOM 40026 H2 TIP3 3152 58.906 69.741 57.056 1.00 0.00 WT3 H ATOM 40027 OH2 TIP3 3154 70.265 90.840 3.255 1.00 0.00 WT3 O ATOM 40028 H1 TIP3 3154 69.434 91.158 2.902 1.00 0.00 WT3 H ATOM 40029 H2 TIP3 3154 70.264 91.126 4.168 1.00 0.00 WT3 H ATOM 40030 OH2 TIP3 3155 62.971 7.135 40.755 1.00 0.00 WT3 O ATOM 40031 H1 TIP3 3155 62.307 6.455 40.646 1.00 0.00 WT3 H ATOM 40032 H2 TIP3 3155 62.507 7.858 41.179 1.00 0.00 WT3 H ATOM 40033 OH2 TIP3 3156 28.019 70.089 -0.763 1.00 0.00 WT3 O ATOM 40034 H1 TIP3 3156 27.891 69.744 0.121 1.00 0.00 WT3 H ATOM 40035 H2 TIP3 3156 28.616 70.828 -0.648 1.00 0.00 WT3 H ATOM 40036 OH2 TIP3 3157 23.367 31.680 -13.855 1.00 0.00 WT3 O ATOM 40037 H1 TIP3 3157 22.949 32.541 -13.851 1.00 0.00 WT3 H ATOM 40038 H2 TIP3 3157 24.003 31.719 -13.141 1.00 0.00 WT3 H ATOM 40039 OH2 TIP3 3158 41.339 47.878 2.369 1.00 0.00 WT3 O ATOM 40040 H1 TIP3 3158 40.723 47.155 2.490 1.00 0.00 WT3 H ATOM 40041 H2 TIP3 3158 41.113 48.503 3.057 1.00 0.00 WT3 H ATOM 40042 OH2 TIP3 3160 37.767 57.779 17.040 1.00 0.00 WT3 O ATOM 40043 H1 TIP3 3160 37.646 56.937 17.477 1.00 0.00 WT3 H ATOM 40044 H2 TIP3 3160 38.550 58.151 17.447 1.00 0.00 WT3 H ATOM 40045 OH2 TIP3 3161 80.640 42.948 16.932 1.00 0.00 WT3 O ATOM 40046 H1 TIP3 3161 80.546 43.144 16.000 1.00 0.00 WT3 H ATOM 40047 H2 TIP3 3161 80.046 43.560 17.367 1.00 0.00 WT3 H ATOM 40048 OH2 TIP3 3162 82.418 39.803 56.391 1.00 0.00 WT3 O ATOM 40049 H1 TIP3 3162 83.037 39.374 56.981 1.00 0.00 WT3 H ATOM 40050 H2 TIP3 3162 81.784 40.223 56.972 1.00 0.00 WT3 H ATOM 40051 OH2 TIP3 3164 42.854 8.564 -1.932 1.00 0.00 WT3 O ATOM 40052 H1 TIP3 3164 43.104 8.769 -2.833 1.00 0.00 WT3 H ATOM 40053 H2 TIP3 3164 42.154 7.917 -2.018 1.00 0.00 WT3 H ATOM 40054 OH2 TIP3 3167 62.862 31.563 47.906 1.00 0.00 WT3 O ATOM 40055 H1 TIP3 3167 62.036 31.768 48.346 1.00 0.00 WT3 H ATOM 40056 H2 TIP3 3167 63.300 32.409 47.814 1.00 0.00 WT3 H ATOM 40057 OH2 TIP3 3169 32.300 14.315 11.346 1.00 0.00 WT3 O ATOM 40058 H1 TIP3 3169 32.697 15.156 11.574 1.00 0.00 WT3 H ATOM 40059 H2 TIP3 3169 32.221 13.853 12.180 1.00 0.00 WT3 H ATOM 40060 OH2 TIP3 3173 61.379 4.208 -4.661 1.00 0.00 WT3 O ATOM 40061 H1 TIP3 3173 60.783 4.602 -5.297 1.00 0.00 WT3 H ATOM 40062 H2 TIP3 3173 61.595 3.352 -5.032 1.00 0.00 WT3 H ATOM 40063 OH2 TIP3 3174 68.676 72.710 22.519 1.00 0.00 WT3 O ATOM 40064 H1 TIP3 3174 67.820 72.288 22.590 1.00 0.00 WT3 H ATOM 40065 H2 TIP3 3174 69.074 72.315 21.743 1.00 0.00 WT3 H ATOM 40066 OH2 TIP3 3175 74.894 19.351 13.320 1.00 0.00 WT3 O ATOM 40067 H1 TIP3 3175 75.147 20.187 12.929 1.00 0.00 WT3 H ATOM 40068 H2 TIP3 3175 74.152 19.565 13.886 1.00 0.00 WT3 H ATOM 40069 OH2 TIP3 3176 23.777 29.524 1.904 1.00 0.00 WT3 O ATOM 40070 H1 TIP3 3176 24.212 30.363 2.056 1.00 0.00 WT3 H ATOM 40071 H2 TIP3 3176 23.386 29.611 1.035 1.00 0.00 WT3 H ATOM 40072 OH2 TIP3 3177 62.035 60.769 20.259 1.00 0.00 WT3 O ATOM 40073 H1 TIP3 3177 61.166 60.911 19.884 1.00 0.00 WT3 H ATOM 40074 H2 TIP3 3177 61.937 59.987 20.802 1.00 0.00 WT3 H ATOM 40075 OH2 TIP3 3178 44.355 55.159 2.696 1.00 0.00 WT3 O ATOM 40076 H1 TIP3 3178 45.300 55.046 2.794 1.00 0.00 WT3 H ATOM 40077 H2 TIP3 3178 44.015 55.124 3.590 1.00 0.00 WT3 H ATOM 40078 OH2 TIP3 3179 42.085 83.714 -12.730 1.00 0.00 WT3 O ATOM 40079 H1 TIP3 3179 41.375 84.042 -12.178 1.00 0.00 WT3 H ATOM 40080 H2 TIP3 3179 41.799 82.840 -12.996 1.00 0.00 WT3 H ATOM 40081 OH2 TIP3 3180 45.790 3.015 10.049 1.00 0.00 WT3 O ATOM 40082 H1 TIP3 3180 45.830 3.666 10.749 1.00 0.00 WT3 H ATOM 40083 H2 TIP3 3180 44.855 2.850 9.927 1.00 0.00 WT3 H ATOM 40084 OH2 TIP3 3181 26.019 73.602 51.319 1.00 0.00 WT3 O ATOM 40085 H1 TIP3 3181 25.358 74.265 51.119 1.00 0.00 WT3 H ATOM 40086 H2 TIP3 3181 25.718 72.817 50.862 1.00 0.00 WT3 H ATOM 40087 OH2 TIP3 3182 69.711 56.251 -13.019 1.00 0.00 WT3 O ATOM 40088 H1 TIP3 3182 69.036 56.348 -13.690 1.00 0.00 WT3 H ATOM 40089 H2 TIP3 3182 69.802 57.126 -12.641 1.00 0.00 WT3 H ATOM 40090 OH2 TIP3 3184 35.041 73.199 56.241 1.00 0.00 WT3 O ATOM 40091 H1 TIP3 3184 34.779 73.139 57.160 1.00 0.00 WT3 H ATOM 40092 H2 TIP3 3184 34.848 74.104 55.996 1.00 0.00 WT3 H ATOM 40093 OH2 TIP3 3185 59.227 80.795 8.258 1.00 0.00 WT3 O ATOM 40094 H1 TIP3 3185 58.535 80.141 8.163 1.00 0.00 WT3 H ATOM 40095 H2 TIP3 3185 59.923 80.340 8.732 1.00 0.00 WT3 H ATOM 40096 OH2 TIP3 3187 79.042 78.311 13.430 1.00 0.00 WT3 O ATOM 40097 H1 TIP3 3187 78.282 78.417 14.003 1.00 0.00 WT3 H ATOM 40098 H2 TIP3 3187 79.773 78.151 14.027 1.00 0.00 WT3 H ATOM 40099 OH2 TIP3 3188 64.137 74.310 5.644 1.00 0.00 WT3 O ATOM 40100 H1 TIP3 3188 64.765 73.783 6.138 1.00 0.00 WT3 H ATOM 40101 H2 TIP3 3188 63.293 74.127 6.057 1.00 0.00 WT3 H ATOM 40102 OH2 TIP3 3189 81.391 86.848 18.926 1.00 0.00 WT3 O ATOM 40103 H1 TIP3 3189 80.667 86.222 18.909 1.00 0.00 WT3 H ATOM 40104 H2 TIP3 3189 81.591 86.958 19.856 1.00 0.00 WT3 H ATOM 40105 OH2 TIP3 3192 52.699 17.372 66.482 1.00 0.00 WT3 O ATOM 40106 H1 TIP3 3192 53.009 17.623 65.612 1.00 0.00 WT3 H ATOM 40107 H2 TIP3 3192 51.752 17.509 66.448 1.00 0.00 WT3 H ATOM 40108 OH2 TIP3 3193 56.088 81.307 11.272 1.00 0.00 WT3 O ATOM 40109 H1 TIP3 3193 55.902 80.390 11.476 1.00 0.00 WT3 H ATOM 40110 H2 TIP3 3193 56.931 81.480 11.690 1.00 0.00 WT3 H ATOM 40111 OH2 TIP3 3194 25.427 24.305 15.266 1.00 0.00 WT3 O ATOM 40112 H1 TIP3 3194 25.420 25.185 15.643 1.00 0.00 WT3 H ATOM 40113 H2 TIP3 3194 24.527 23.993 15.366 1.00 0.00 WT3 H ATOM 40114 OH2 TIP3 3195 80.573 65.347 -2.848 1.00 0.00 WT3 O ATOM 40115 H1 TIP3 3195 80.925 64.615 -3.356 1.00 0.00 WT3 H ATOM 40116 H2 TIP3 3195 79.970 65.786 -3.446 1.00 0.00 WT3 H ATOM 40117 OH2 TIP3 3196 55.800 11.024 6.192 1.00 0.00 WT3 O ATOM 40118 H1 TIP3 3196 56.418 10.645 6.817 1.00 0.00 WT3 H ATOM 40119 H2 TIP3 3196 55.034 11.252 6.720 1.00 0.00 WT3 H ATOM 40120 OH2 TIP3 3198 83.829 61.990 37.328 1.00 0.00 WT3 O ATOM 40121 H1 TIP3 3198 83.296 61.206 37.460 1.00 0.00 WT3 H ATOM 40122 H2 TIP3 3198 83.358 62.491 36.662 1.00 0.00 WT3 H ATOM 40123 OH2 TIP3 3200 25.438 80.903 -3.627 1.00 0.00 WT3 O ATOM 40124 H1 TIP3 3200 26.157 81.370 -3.201 1.00 0.00 WT3 H ATOM 40125 H2 TIP3 3200 25.792 80.032 -3.807 1.00 0.00 WT3 H ATOM 40126 OH2 TIP3 3201 63.291 10.581 -15.161 1.00 0.00 WT3 O ATOM 40127 H1 TIP3 3201 64.205 10.675 -14.892 1.00 0.00 WT3 H ATOM 40128 H2 TIP3 3201 63.327 10.032 -15.944 1.00 0.00 WT3 H ATOM 40129 OH2 TIP3 3202 56.295 73.194 -8.431 1.00 0.00 WT3 O ATOM 40130 H1 TIP3 3202 55.613 72.686 -8.870 1.00 0.00 WT3 H ATOM 40131 H2 TIP3 3202 55.904 73.447 -7.595 1.00 0.00 WT3 H ATOM 40132 OH2 TIP3 3203 60.727 3.474 48.300 1.00 0.00 WT3 O ATOM 40133 H1 TIP3 3203 61.319 3.704 49.016 1.00 0.00 WT3 H ATOM 40134 H2 TIP3 3203 61.229 2.863 47.760 1.00 0.00 WT3 H ATOM 40135 OH2 TIP3 3204 66.003 46.668 6.791 1.00 0.00 WT3 O ATOM 40136 H1 TIP3 3204 65.590 46.826 7.639 1.00 0.00 WT3 H ATOM 40137 H2 TIP3 3204 65.451 46.006 6.374 1.00 0.00 WT3 H ATOM 40138 OH2 TIP3 3205 62.357 23.643 -19.662 1.00 0.00 WT3 O ATOM 40139 H1 TIP3 3205 63.115 23.835 -19.110 1.00 0.00 WT3 H ATOM 40140 H2 TIP3 3205 61.608 23.700 -19.069 1.00 0.00 WT3 H ATOM 40141 OH2 TIP3 3206 44.110 41.172 6.291 1.00 0.00 WT3 O ATOM 40142 H1 TIP3 3206 44.350 41.712 7.044 1.00 0.00 WT3 H ATOM 40143 H2 TIP3 3206 44.592 40.355 6.418 1.00 0.00 WT3 H ATOM 40144 OH2 TIP3 3208 47.325 94.819 41.358 1.00 0.00 WT3 O ATOM 40145 H1 TIP3 3208 47.958 94.445 40.745 1.00 0.00 WT3 H ATOM 40146 H2 TIP3 3208 47.597 95.731 41.458 1.00 0.00 WT3 H ATOM 40147 OH2 TIP3 3209 84.021 77.553 35.140 1.00 0.00 WT3 O ATOM 40148 H1 TIP3 3209 83.592 77.833 34.331 1.00 0.00 WT3 H ATOM 40149 H2 TIP3 3209 84.886 77.962 35.107 1.00 0.00 WT3 H ATOM 40150 OH2 TIP3 3210 25.639 83.078 57.038 1.00 0.00 WT3 O ATOM 40151 H1 TIP3 3210 24.728 82.790 57.093 1.00 0.00 WT3 H ATOM 40152 H2 TIP3 3210 25.690 83.827 57.631 1.00 0.00 WT3 H ATOM 40153 OH2 TIP3 3211 66.952 19.303 64.484 1.00 0.00 WT3 O ATOM 40154 H1 TIP3 3211 67.614 19.643 63.882 1.00 0.00 WT3 H ATOM 40155 H2 TIP3 3211 67.367 18.545 64.895 1.00 0.00 WT3 H ATOM 40156 OH2 TIP3 3212 63.911 43.946 47.040 1.00 0.00 WT3 O ATOM 40157 H1 TIP3 3212 64.315 43.195 47.476 1.00 0.00 WT3 H ATOM 40158 H2 TIP3 3212 64.609 44.599 46.993 1.00 0.00 WT3 H ATOM 40159 OH2 TIP3 3213 22.090 60.651 58.865 1.00 0.00 WT3 O ATOM 40160 H1 TIP3 3213 22.400 60.029 59.523 1.00 0.00 WT3 H ATOM 40161 H2 TIP3 3213 22.865 60.850 58.340 1.00 0.00 WT3 H ATOM 40162 OH2 TIP3 3214 59.927 80.027 41.201 1.00 0.00 WT3 O ATOM 40163 H1 TIP3 3214 60.661 80.169 41.799 1.00 0.00 WT3 H ATOM 40164 H2 TIP3 3214 59.844 80.851 40.722 1.00 0.00 WT3 H ATOM 40165 OH2 TIP3 3215 40.723 17.548 -8.046 1.00 0.00 WT3 O ATOM 40166 H1 TIP3 3215 40.984 16.733 -7.618 1.00 0.00 WT3 H ATOM 40167 H2 TIP3 3215 41.482 18.124 -7.949 1.00 0.00 WT3 H ATOM 40168 OH2 TIP3 3216 86.122 61.586 21.440 1.00 0.00 WT3 O ATOM 40169 H1 TIP3 3216 87.006 61.375 21.140 1.00 0.00 WT3 H ATOM 40170 H2 TIP3 3216 86.058 61.179 22.305 1.00 0.00 WT3 H ATOM 40171 OH2 TIP3 3218 50.746 42.900 -0.500 1.00 0.00 WT3 O ATOM 40172 H1 TIP3 3218 49.820 42.798 -0.279 1.00 0.00 WT3 H ATOM 40173 H2 TIP3 3218 51.195 42.905 0.346 1.00 0.00 WT3 H ATOM 40174 OH2 TIP3 3219 71.305 73.217 18.592 1.00 0.00 WT3 O ATOM 40175 H1 TIP3 3219 70.931 72.411 18.949 1.00 0.00 WT3 H ATOM 40176 H2 TIP3 3219 70.556 73.692 18.234 1.00 0.00 WT3 H ATOM 40177 OH2 TIP3 3221 26.608 89.930 -7.299 1.00 0.00 WT3 O ATOM 40178 H1 TIP3 3221 26.056 89.759 -8.062 1.00 0.00 WT3 H ATOM 40179 H2 TIP3 3221 27.215 89.191 -7.271 1.00 0.00 WT3 H ATOM 40180 OH2 TIP3 3222 52.162 83.158 62.178 1.00 0.00 WT3 O ATOM 40181 H1 TIP3 3222 51.530 82.698 62.731 1.00 0.00 WT3 H ATOM 40182 H2 TIP3 3222 52.653 83.711 62.785 1.00 0.00 WT3 H ATOM 40183 OH2 TIP3 3223 43.722 47.146 10.555 1.00 0.00 WT3 O ATOM 40184 H1 TIP3 3223 44.354 47.743 10.154 1.00 0.00 WT3 H ATOM 40185 H2 TIP3 3223 43.990 47.093 11.473 1.00 0.00 WT3 H ATOM 40186 OH2 TIP3 3224 20.656 7.313 -10.824 1.00 0.00 WT3 O ATOM 40187 H1 TIP3 3224 20.376 7.655 -11.673 1.00 0.00 WT3 H ATOM 40188 H2 TIP3 3224 21.224 6.573 -11.038 1.00 0.00 WT3 H ATOM 40189 OH2 TIP3 3225 57.657 45.552 61.032 1.00 0.00 WT3 O ATOM 40190 H1 TIP3 3225 58.428 45.881 61.494 1.00 0.00 WT3 H ATOM 40191 H2 TIP3 3225 56.935 46.089 61.357 1.00 0.00 WT3 H ATOM 40192 OH2 TIP3 3227 51.832 64.198 -6.454 1.00 0.00 WT3 O ATOM 40193 H1 TIP3 3227 52.032 64.959 -5.908 1.00 0.00 WT3 H ATOM 40194 H2 TIP3 3227 50.882 64.099 -6.387 1.00 0.00 WT3 H ATOM 40195 OH2 TIP3 3228 82.048 70.499 18.317 1.00 0.00 WT3 O ATOM 40196 H1 TIP3 3228 81.423 69.898 17.912 1.00 0.00 WT3 H ATOM 40197 H2 TIP3 3228 81.559 70.906 19.033 1.00 0.00 WT3 H ATOM 40198 OH2 TIP3 3229 52.206 28.720 38.129 1.00 0.00 WT3 O ATOM 40199 H1 TIP3 3229 52.876 28.037 38.125 1.00 0.00 WT3 H ATOM 40200 H2 TIP3 3229 51.786 28.650 37.272 1.00 0.00 WT3 H ATOM 40201 OH2 TIP3 3230 57.565 53.625 23.875 1.00 0.00 WT3 O ATOM 40202 H1 TIP3 3230 56.787 53.417 23.358 1.00 0.00 WT3 H ATOM 40203 H2 TIP3 3230 57.417 54.520 24.182 1.00 0.00 WT3 H ATOM 40204 OH2 TIP3 3231 52.640 69.665 49.805 1.00 0.00 WT3 O ATOM 40205 H1 TIP3 3231 51.783 69.998 50.071 1.00 0.00 WT3 H ATOM 40206 H2 TIP3 3231 52.956 70.301 49.162 1.00 0.00 WT3 H ATOM 40207 OH2 TIP3 3232 66.233 58.024 58.687 1.00 0.00 WT3 O ATOM 40208 H1 TIP3 3232 65.461 57.882 58.138 1.00 0.00 WT3 H ATOM 40209 H2 TIP3 3232 66.787 58.614 58.174 1.00 0.00 WT3 H ATOM 40210 OH2 TIP3 3233 49.295 91.649 -5.671 1.00 0.00 WT3 O ATOM 40211 H1 TIP3 3233 49.009 91.217 -6.475 1.00 0.00 WT3 H ATOM 40212 H2 TIP3 3233 49.926 92.307 -5.963 1.00 0.00 WT3 H ATOM 40213 OH2 TIP3 3234 32.503 5.051 45.981 1.00 0.00 WT3 O ATOM 40214 H1 TIP3 3234 32.658 4.125 46.169 1.00 0.00 WT3 H ATOM 40215 H2 TIP3 3234 32.498 5.105 45.025 1.00 0.00 WT3 H ATOM 40216 OH2 TIP3 3235 39.880 91.095 31.863 1.00 0.00 WT3 O ATOM 40217 H1 TIP3 3235 40.503 90.370 31.922 1.00 0.00 WT3 H ATOM 40218 H2 TIP3 3235 39.100 90.779 32.319 1.00 0.00 WT3 H ATOM 40219 OH2 TIP3 3236 70.964 64.887 35.937 1.00 0.00 WT3 O ATOM 40220 H1 TIP3 3236 70.485 64.059 35.955 1.00 0.00 WT3 H ATOM 40221 H2 TIP3 3236 70.629 65.341 35.164 1.00 0.00 WT3 H ATOM 40222 OH2 TIP3 3237 58.453 5.328 32.374 1.00 0.00 WT3 O ATOM 40223 H1 TIP3 3237 58.668 5.497 33.291 1.00 0.00 WT3 H ATOM 40224 H2 TIP3 3237 58.993 4.574 32.137 1.00 0.00 WT3 H ATOM 40225 OH2 TIP3 3238 71.983 79.322 42.733 1.00 0.00 WT3 O ATOM 40226 H1 TIP3 3238 71.043 79.341 42.911 1.00 0.00 WT3 H ATOM 40227 H2 TIP3 3238 72.353 79.975 43.327 1.00 0.00 WT3 H ATOM 40228 OH2 TIP3 3240 56.112 3.631 66.143 1.00 0.00 WT3 O ATOM 40229 H1 TIP3 3240 56.924 3.937 65.738 1.00 0.00 WT3 H ATOM 40230 H2 TIP3 3240 56.389 3.242 66.972 1.00 0.00 WT3 H ATOM 40231 OH2 TIP3 3242 47.055 17.438 6.116 1.00 0.00 WT3 O ATOM 40232 H1 TIP3 3242 46.777 18.215 6.602 1.00 0.00 WT3 H ATOM 40233 H2 TIP3 3242 46.241 17.060 5.784 1.00 0.00 WT3 H ATOM 40234 OH2 TIP3 3244 55.882 76.272 -17.017 1.00 0.00 WT3 O ATOM 40235 H1 TIP3 3244 55.592 77.184 -17.040 1.00 0.00 WT3 H ATOM 40236 H2 TIP3 3244 56.377 76.198 -16.201 1.00 0.00 WT3 H ATOM 40237 OH2 TIP3 3245 24.021 57.464 45.190 1.00 0.00 WT3 O ATOM 40238 H1 TIP3 3245 24.296 56.974 45.965 1.00 0.00 WT3 H ATOM 40239 H2 TIP3 3245 24.839 57.681 44.742 1.00 0.00 WT3 H ATOM 40240 OH2 TIP3 3246 37.171 82.349 22.235 1.00 0.00 WT3 O ATOM 40241 H1 TIP3 3246 37.831 82.487 22.915 1.00 0.00 WT3 H ATOM 40242 H2 TIP3 3246 37.406 82.967 21.543 1.00 0.00 WT3 H ATOM 40243 OH2 TIP3 3247 90.394 12.854 41.777 1.00 0.00 WT3 O ATOM 40244 H1 TIP3 3247 90.086 12.094 41.285 1.00 0.00 WT3 H ATOM 40245 H2 TIP3 3247 90.954 13.328 41.161 1.00 0.00 WT3 H ATOM 40246 OH2 TIP3 3248 41.160 92.182 15.214 1.00 0.00 WT3 O ATOM 40247 H1 TIP3 3248 41.060 93.112 15.011 1.00 0.00 WT3 H ATOM 40248 H2 TIP3 3248 41.081 91.742 14.367 1.00 0.00 WT3 H ATOM 40249 OH2 TIP3 3249 66.424 66.297 35.105 1.00 0.00 WT3 O ATOM 40250 H1 TIP3 3249 65.621 65.979 35.516 1.00 0.00 WT3 H ATOM 40251 H2 TIP3 3249 66.299 66.130 34.171 1.00 0.00 WT3 H ATOM 40252 OH2 TIP3 3250 36.202 4.584 51.093 1.00 0.00 WT3 O ATOM 40253 H1 TIP3 3250 35.547 5.211 50.786 1.00 0.00 WT3 H ATOM 40254 H2 TIP3 3250 36.359 4.828 52.005 1.00 0.00 WT3 H ATOM 40255 OH2 TIP3 3251 37.527 1.798 11.319 1.00 0.00 WT3 O ATOM 40256 H1 TIP3 3251 38.474 1.843 11.189 1.00 0.00 WT3 H ATOM 40257 H2 TIP3 3251 37.410 1.155 12.017 1.00 0.00 WT3 H ATOM 40258 OH2 TIP3 3252 67.816 0.487 61.839 1.00 0.00 WT3 O ATOM 40259 H1 TIP3 3252 67.379 0.094 62.594 1.00 0.00 WT3 H ATOM 40260 H2 TIP3 3252 67.261 0.257 61.094 1.00 0.00 WT3 H ATOM 40261 OH2 TIP3 3253 54.580 76.510 -4.131 1.00 0.00 WT3 O ATOM 40262 H1 TIP3 3253 54.984 76.763 -3.301 1.00 0.00 WT3 H ATOM 40263 H2 TIP3 3253 54.761 75.573 -4.210 1.00 0.00 WT3 H ATOM 40264 OH2 TIP3 3254 47.306 86.390 37.335 1.00 0.00 WT3 O ATOM 40265 H1 TIP3 3254 46.528 85.870 37.538 1.00 0.00 WT3 H ATOM 40266 H2 TIP3 3254 48.041 85.811 37.537 1.00 0.00 WT3 H ATOM 40267 OH2 TIP3 3255 37.205 62.592 48.709 1.00 0.00 WT3 O ATOM 40268 H1 TIP3 3255 37.804 63.251 49.060 1.00 0.00 WT3 H ATOM 40269 H2 TIP3 3255 37.572 62.365 47.855 1.00 0.00 WT3 H ATOM 40270 OH2 TIP3 3256 35.544 14.841 33.543 1.00 0.00 WT3 O ATOM 40271 H1 TIP3 3256 35.094 15.527 34.037 1.00 0.00 WT3 H ATOM 40272 H2 TIP3 3256 36.119 15.314 32.942 1.00 0.00 WT3 H ATOM 40273 OH2 TIP3 3257 51.060 34.596 -8.848 1.00 0.00 WT3 O ATOM 40274 H1 TIP3 3257 50.368 34.172 -8.340 1.00 0.00 WT3 H ATOM 40275 H2 TIP3 3257 51.662 33.887 -9.073 1.00 0.00 WT3 H ATOM 40276 OH2 TIP3 3258 85.113 70.439 43.124 1.00 0.00 WT3 O ATOM 40277 H1 TIP3 3258 85.338 69.540 42.885 1.00 0.00 WT3 H ATOM 40278 H2 TIP3 3258 84.681 70.793 42.346 1.00 0.00 WT3 H ATOM 40279 OH2 TIP3 3259 84.617 13.317 39.934 1.00 0.00 WT3 O ATOM 40280 H1 TIP3 3259 85.308 12.663 40.038 1.00 0.00 WT3 H ATOM 40281 H2 TIP3 3259 85.072 14.098 39.618 1.00 0.00 WT3 H ATOM 40282 OH2 TIP3 3261 39.826 71.368 24.525 1.00 0.00 WT3 O ATOM 40283 H1 TIP3 3261 40.571 71.719 25.012 1.00 0.00 WT3 H ATOM 40284 H2 TIP3 3261 40.003 70.429 24.459 1.00 0.00 WT3 H ATOM 40285 OH2 TIP3 3262 72.558 73.115 44.940 1.00 0.00 WT3 O ATOM 40286 H1 TIP3 3262 72.356 72.182 45.005 1.00 0.00 WT3 H ATOM 40287 H2 TIP3 3262 73.440 73.196 45.305 1.00 0.00 WT3 H ATOM 40288 OH2 TIP3 3263 42.919 4.754 -14.642 1.00 0.00 WT3 O ATOM 40289 H1 TIP3 3263 43.713 4.997 -14.165 1.00 0.00 WT3 H ATOM 40290 H2 TIP3 3263 42.520 5.589 -14.885 1.00 0.00 WT3 H ATOM 40291 OH2 TIP3 3266 30.504 2.035 11.625 1.00 0.00 WT3 O ATOM 40292 H1 TIP3 3266 29.670 1.659 11.906 1.00 0.00 WT3 H ATOM 40293 H2 TIP3 3266 30.761 1.511 10.866 1.00 0.00 WT3 H ATOM 40294 OH2 TIP3 3268 79.146 79.216 21.997 1.00 0.00 WT3 O ATOM 40295 H1 TIP3 3268 79.767 79.559 22.638 1.00 0.00 WT3 H ATOM 40296 H2 TIP3 3268 78.610 78.595 22.490 1.00 0.00 WT3 H ATOM 40297 OH2 TIP3 3269 53.987 58.596 9.820 1.00 0.00 WT3 O ATOM 40298 H1 TIP3 3269 54.143 59.070 10.637 1.00 0.00 WT3 H ATOM 40299 H2 TIP3 3269 54.581 57.846 9.861 1.00 0.00 WT3 H ATOM 40300 OH2 TIP3 3271 20.544 18.863 11.540 1.00 0.00 WT3 O ATOM 40301 H1 TIP3 3271 19.914 19.257 12.144 1.00 0.00 WT3 H ATOM 40302 H2 TIP3 3271 21.381 19.264 11.773 1.00 0.00 WT3 H ATOM 40303 OH2 TIP3 3272 27.641 85.825 -9.714 1.00 0.00 WT3 O ATOM 40304 H1 TIP3 3272 26.696 85.837 -9.562 1.00 0.00 WT3 H ATOM 40305 H2 TIP3 3272 27.741 86.101 -10.625 1.00 0.00 WT3 H ATOM 40306 OH2 TIP3 3273 42.106 2.880 15.755 1.00 0.00 WT3 O ATOM 40307 H1 TIP3 3273 41.278 3.353 15.834 1.00 0.00 WT3 H ATOM 40308 H2 TIP3 3273 41.851 1.978 15.564 1.00 0.00 WT3 H ATOM 40309 OH2 TIP3 3274 72.072 17.607 57.724 1.00 0.00 WT3 O ATOM 40310 H1 TIP3 3274 72.457 16.731 57.697 1.00 0.00 WT3 H ATOM 40311 H2 TIP3 3274 72.198 17.952 56.840 1.00 0.00 WT3 H ATOM 40312 OH2 TIP3 3280 22.259 78.347 -14.644 1.00 0.00 WT3 O ATOM 40313 H1 TIP3 3280 22.880 78.549 -13.944 1.00 0.00 WT3 H ATOM 40314 H2 TIP3 3280 22.109 77.405 -14.568 1.00 0.00 WT3 H ATOM 40315 OH2 TIP3 3282 20.402 56.792 3.238 1.00 0.00 WT3 O ATOM 40316 H1 TIP3 3282 20.146 55.924 2.928 1.00 0.00 WT3 H ATOM 40317 H2 TIP3 3282 21.236 56.651 3.686 1.00 0.00 WT3 H ATOM 40318 OH2 TIP3 3286 45.454 30.773 -8.302 1.00 0.00 WT3 O ATOM 40319 H1 TIP3 3286 44.570 31.068 -8.084 1.00 0.00 WT3 H ATOM 40320 H2 TIP3 3286 45.575 29.976 -7.787 1.00 0.00 WT3 H ATOM 40321 OH2 TIP3 3287 24.326 75.475 0.230 1.00 0.00 WT3 O ATOM 40322 H1 TIP3 3287 24.223 74.523 0.243 1.00 0.00 WT3 H ATOM 40323 H2 TIP3 3287 25.261 75.613 0.077 1.00 0.00 WT3 H ATOM 40324 OH2 TIP3 3291 64.880 79.801 3.532 1.00 0.00 WT3 O ATOM 40325 H1 TIP3 3291 65.108 78.881 3.396 1.00 0.00 WT3 H ATOM 40326 H2 TIP3 3291 64.740 80.147 2.651 1.00 0.00 WT3 H ATOM 40327 OH2 TIP3 3292 52.380 86.831 59.453 1.00 0.00 WT3 O ATOM 40328 H1 TIP3 3292 51.817 86.325 60.039 1.00 0.00 WT3 H ATOM 40329 H2 TIP3 3292 52.725 87.535 60.002 1.00 0.00 WT3 H ATOM 40330 OH2 TIP3 3293 82.717 12.940 1.330 1.00 0.00 WT3 O ATOM 40331 H1 TIP3 3293 82.843 12.003 1.481 1.00 0.00 WT3 H ATOM 40332 H2 TIP3 3293 83.371 13.363 1.886 1.00 0.00 WT3 H ATOM 40333 OH2 TIP3 3294 47.127 58.761 47.614 1.00 0.00 WT3 O ATOM 40334 H1 TIP3 3294 47.819 59.144 47.074 1.00 0.00 WT3 H ATOM 40335 H2 TIP3 3294 46.845 57.986 47.128 1.00 0.00 WT3 H ATOM 40336 OH2 TIP3 3295 88.457 76.010 58.798 1.00 0.00 WT3 O ATOM 40337 H1 TIP3 3295 88.083 76.889 58.853 1.00 0.00 WT3 H ATOM 40338 H2 TIP3 3295 88.645 75.887 57.868 1.00 0.00 WT3 H ATOM 40339 OH2 TIP3 3296 25.597 5.570 58.929 1.00 0.00 WT3 O ATOM 40340 H1 TIP3 3296 25.813 5.252 58.053 1.00 0.00 WT3 H ATOM 40341 H2 TIP3 3296 26.074 6.396 59.009 1.00 0.00 WT3 H ATOM 40342 OH2 TIP3 3300 59.038 16.058 -13.459 1.00 0.00 WT3 O ATOM 40343 H1 TIP3 3300 58.821 16.409 -12.595 1.00 0.00 WT3 H ATOM 40344 H2 TIP3 3300 59.981 16.200 -13.546 1.00 0.00 WT3 H ATOM 40345 OH2 TIP3 3301 42.600 82.932 33.163 1.00 0.00 WT3 O ATOM 40346 H1 TIP3 3301 42.034 83.704 33.190 1.00 0.00 WT3 H ATOM 40347 H2 TIP3 3301 42.478 82.575 32.284 1.00 0.00 WT3 H ATOM 40348 OH2 TIP3 3302 80.074 9.851 45.643 1.00 0.00 WT3 O ATOM 40349 H1 TIP3 3302 80.715 9.432 45.068 1.00 0.00 WT3 H ATOM 40350 H2 TIP3 3302 80.069 10.768 45.369 1.00 0.00 WT3 H ATOM 40351 OH2 TIP3 3303 81.912 58.476 34.590 1.00 0.00 WT3 O ATOM 40352 H1 TIP3 3303 82.225 58.044 33.795 1.00 0.00 WT3 H ATOM 40353 H2 TIP3 3303 82.034 59.410 34.419 1.00 0.00 WT3 H ATOM 40354 OH2 TIP3 3304 83.924 39.630 8.370 1.00 0.00 WT3 O ATOM 40355 H1 TIP3 3304 84.430 40.377 8.687 1.00 0.00 WT3 H ATOM 40356 H2 TIP3 3304 83.385 39.370 9.117 1.00 0.00 WT3 H ATOM 40357 OH2 TIP3 3305 51.604 13.547 -2.566 1.00 0.00 WT3 O ATOM 40358 H1 TIP3 3305 52.070 14.300 -2.929 1.00 0.00 WT3 H ATOM 40359 H2 TIP3 3305 51.353 13.821 -1.684 1.00 0.00 WT3 H ATOM 40360 OH2 TIP3 3306 75.523 86.611 -13.654 1.00 0.00 WT3 O ATOM 40361 H1 TIP3 3306 74.780 86.114 -13.997 1.00 0.00 WT3 H ATOM 40362 H2 TIP3 3306 76.254 86.374 -14.226 1.00 0.00 WT3 H ATOM 40363 OH2 TIP3 3307 39.981 95.309 49.872 1.00 0.00 WT3 O ATOM 40364 H1 TIP3 3307 40.219 95.604 50.750 1.00 0.00 WT3 H ATOM 40365 H2 TIP3 3307 39.603 96.083 49.453 1.00 0.00 WT3 H ATOM 40366 OH2 TIP3 3309 86.315 4.422 -11.425 1.00 0.00 WT3 O ATOM 40367 H1 TIP3 3309 86.642 4.016 -10.622 1.00 0.00 WT3 H ATOM 40368 H2 TIP3 3309 86.182 3.691 -12.027 1.00 0.00 WT3 H ATOM 40369 OH2 TIP3 3310 30.937 83.861 7.306 1.00 0.00 WT3 O ATOM 40370 H1 TIP3 3310 30.538 84.455 6.669 1.00 0.00 WT3 H ATOM 40371 H2 TIP3 3310 30.536 83.011 7.125 1.00 0.00 WT3 H ATOM 40372 OH2 TIP3 3312 33.406 70.611 -16.255 1.00 0.00 WT3 O ATOM 40373 H1 TIP3 3312 33.987 70.430 -15.516 1.00 0.00 WT3 H ATOM 40374 H2 TIP3 3312 32.627 70.082 -16.082 1.00 0.00 WT3 H ATOM 40375 OH2 TIP3 3313 45.670 68.867 31.033 1.00 0.00 WT3 O ATOM 40376 H1 TIP3 3313 45.737 68.052 30.536 1.00 0.00 WT3 H ATOM 40377 H2 TIP3 3313 46.325 68.781 31.726 1.00 0.00 WT3 H ATOM 40378 OH2 TIP3 3316 62.711 7.529 8.607 1.00 0.00 WT3 O ATOM 40379 H1 TIP3 3316 62.923 7.467 7.676 1.00 0.00 WT3 H ATOM 40380 H2 TIP3 3316 62.355 6.669 8.830 1.00 0.00 WT3 H ATOM 40381 OH2 TIP3 3317 43.388 14.052 11.322 1.00 0.00 WT3 O ATOM 40382 H1 TIP3 3317 43.411 14.802 11.916 1.00 0.00 WT3 H ATOM 40383 H2 TIP3 3317 43.707 13.319 11.848 1.00 0.00 WT3 H ATOM 40384 OH2 TIP3 3324 64.294 72.617 52.254 1.00 0.00 WT3 O ATOM 40385 H1 TIP3 3324 64.182 72.891 51.343 1.00 0.00 WT3 H ATOM 40386 H2 TIP3 3324 64.119 73.407 52.765 1.00 0.00 WT3 H ATOM 40387 OH2 TIP3 3331 40.542 78.382 56.781 1.00 0.00 WT3 O ATOM 40388 H1 TIP3 3331 40.480 78.446 55.828 1.00 0.00 WT3 H ATOM 40389 H2 TIP3 3331 41.365 78.820 56.998 1.00 0.00 WT3 H ATOM 40390 OH2 TIP3 3334 38.238 90.183 -17.733 1.00 0.00 WT3 O ATOM 40391 H1 TIP3 3334 38.401 89.426 -17.171 1.00 0.00 WT3 H ATOM 40392 H2 TIP3 3334 37.361 90.035 -18.087 1.00 0.00 WT3 H ATOM 40393 OH2 TIP3 3335 54.856 69.328 59.300 1.00 0.00 WT3 O ATOM 40394 H1 TIP3 3335 55.399 69.331 58.512 1.00 0.00 WT3 H ATOM 40395 H2 TIP3 3335 53.966 69.473 58.978 1.00 0.00 WT3 H ATOM 40396 OH2 TIP3 3338 78.854 70.791 11.399 1.00 0.00 WT3 O ATOM 40397 H1 TIP3 3338 78.736 69.952 10.954 1.00 0.00 WT3 H ATOM 40398 H2 TIP3 3338 78.080 70.878 11.955 1.00 0.00 WT3 H ATOM 40399 OH2 TIP3 3347 39.897 83.463 29.539 1.00 0.00 WT3 O ATOM 40400 H1 TIP3 3347 40.699 83.171 29.105 1.00 0.00 WT3 H ATOM 40401 H2 TIP3 3347 39.217 83.374 28.872 1.00 0.00 WT3 H ATOM 40402 OH2 TIP3 3348 72.560 21.023 14.111 1.00 0.00 WT3 O ATOM 40403 H1 TIP3 3348 72.168 21.413 13.330 1.00 0.00 WT3 H ATOM 40404 H2 TIP3 3348 71.850 20.523 14.512 1.00 0.00 WT3 H ATOM 40405 OH2 TIP3 3350 28.530 80.203 56.405 1.00 0.00 WT3 O ATOM 40406 H1 TIP3 3350 28.167 80.109 57.286 1.00 0.00 WT3 H ATOM 40407 H2 TIP3 3350 28.695 79.306 56.117 1.00 0.00 WT3 H ATOM 40408 OH2 TIP3 3354 51.484 88.964 -2.782 1.00 0.00 WT3 O ATOM 40409 H1 TIP3 3354 50.569 89.123 -2.551 1.00 0.00 WT3 H ATOM 40410 H2 TIP3 3354 51.625 88.039 -2.581 1.00 0.00 WT3 H ATOM 40411 OH2 TIP3 3367 21.938 82.317 34.960 1.00 0.00 WT3 O ATOM 40412 H1 TIP3 3367 22.507 82.025 34.248 1.00 0.00 WT3 H ATOM 40413 H2 TIP3 3367 21.051 82.220 34.613 1.00 0.00 WT3 H ATOM 40414 OH2 TIP3 3369 64.523 24.206 -3.343 1.00 0.00 WT3 O ATOM 40415 H1 TIP3 3369 65.287 24.692 -3.031 1.00 0.00 WT3 H ATOM 40416 H2 TIP3 3369 64.188 23.762 -2.564 1.00 0.00 WT3 H ATOM 40417 OH2 TIP3 3382 74.117 2.828 34.333 1.00 0.00 WT3 O ATOM 40418 H1 TIP3 3382 74.838 2.594 34.917 1.00 0.00 WT3 H ATOM 40419 H2 TIP3 3382 73.843 3.697 34.627 1.00 0.00 WT3 H ATOM 40420 OH2 TIP3 3408 61.202 53.018 51.774 1.00 0.00 WT3 O ATOM 40421 H1 TIP3 3408 61.352 53.116 50.833 1.00 0.00 WT3 H ATOM 40422 H2 TIP3 3408 61.672 52.217 52.009 1.00 0.00 WT3 H ATOM 40423 OH2 TIP3 3426 33.972 50.168 9.824 1.00 0.00 WT3 O ATOM 40424 H1 TIP3 3426 34.677 50.566 10.335 1.00 0.00 WT3 H ATOM 40425 H2 TIP3 3426 34.294 50.180 8.923 1.00 0.00 WT3 H ATOM 40426 OH2 TIP3 3440 38.025 73.433 33.925 1.00 0.00 WT3 O ATOM 40427 H1 TIP3 3440 38.568 73.192 33.174 1.00 0.00 WT3 H ATOM 40428 H2 TIP3 3440 38.609 73.351 34.679 1.00 0.00 WT3 H ATOM 40429 OH2 TIP3 3447 77.908 0.850 41.276 1.00 0.00 WT3 O ATOM 40430 H1 TIP3 3447 78.218 1.449 40.596 1.00 0.00 WT3 H ATOM 40431 H2 TIP3 3447 77.726 1.414 42.027 1.00 0.00 WT3 H ATOM 40432 OH2 TIP3 3480 38.897 86.659 4.913 1.00 0.00 WT3 O ATOM 40433 H1 TIP3 3480 39.432 85.880 4.761 1.00 0.00 WT3 H ATOM 40434 H2 TIP3 3480 37.996 86.335 4.917 1.00 0.00 WT3 H ATOM 40435 OH2 TIP3 3484 50.095 69.066 66.237 1.00 0.00 WT3 O ATOM 40436 H1 TIP3 3484 49.801 69.172 65.332 1.00 0.00 WT3 H ATOM 40437 H2 TIP3 3484 49.764 69.841 66.689 1.00 0.00 WT3 H ATOM 40438 OH2 TIP3 3496 82.846 75.794 32.487 1.00 0.00 WT3 O ATOM 40439 H1 TIP3 3496 82.369 75.873 33.313 1.00 0.00 WT3 H ATOM 40440 H2 TIP3 3496 83.307 76.628 32.396 1.00 0.00 WT3 H ATOM 40441 OH2 TIP3 3497 76.892 82.896 18.874 1.00 0.00 WT3 O ATOM 40442 H1 TIP3 3497 76.623 82.002 18.665 1.00 0.00 WT3 H ATOM 40443 H2 TIP3 3497 77.358 82.818 19.706 1.00 0.00 WT3 H ATOM 40444 OH2 TIP3 3511 42.104 33.515 63.432 1.00 0.00 WT3 O ATOM 40445 H1 TIP3 3511 42.767 32.886 63.145 1.00 0.00 WT3 H ATOM 40446 H2 TIP3 3511 41.776 33.157 64.257 1.00 0.00 WT3 H ATOM 40447 OH2 TIP3 3513 56.410 86.780 4.416 1.00 0.00 WT3 O ATOM 40448 H1 TIP3 3513 55.544 86.372 4.406 1.00 0.00 WT3 H ATOM 40449 H2 TIP3 3513 56.237 87.711 4.275 1.00 0.00 WT3 H ATOM 40450 OH2 TIP3 3514 78.486 62.044 -5.350 1.00 0.00 WT3 O ATOM 40451 H1 TIP3 3514 78.203 62.954 -5.438 1.00 0.00 WT3 H ATOM 40452 H2 TIP3 3514 77.856 61.545 -5.870 1.00 0.00 WT3 H ATOM 40453 OH2 TIP3 3521 26.942 53.341 48.117 1.00 0.00 WT3 O ATOM 40454 H1 TIP3 3521 27.767 53.022 48.483 1.00 0.00 WT3 H ATOM 40455 H2 TIP3 3521 27.088 53.353 47.171 1.00 0.00 WT3 H ATOM 40456 OH2 TIP3 3526 65.672 89.848 -12.344 1.00 0.00 WT3 O ATOM 40457 H1 TIP3 3526 64.810 89.769 -11.933 1.00 0.00 WT3 H ATOM 40458 H2 TIP3 3526 66.017 88.956 -12.350 1.00 0.00 WT3 H ATOM 40459 OH2 TIP3 3527 83.276 71.222 25.125 1.00 0.00 WT3 O ATOM 40460 H1 TIP3 3527 83.268 70.406 25.624 1.00 0.00 WT3 H ATOM 40461 H2 TIP3 3527 84.082 71.662 25.397 1.00 0.00 WT3 H ATOM 40462 OH2 TIP3 3533 22.655 2.345 -4.328 1.00 0.00 WT3 O ATOM 40463 H1 TIP3 3533 22.119 3.134 -4.240 1.00 0.00 WT3 H ATOM 40464 H2 TIP3 3533 23.268 2.388 -3.595 1.00 0.00 WT3 H ATOM 40465 OH2 TIP3 3534 43.413 34.847 48.163 1.00 0.00 WT3 O ATOM 40466 H1 TIP3 3534 44.066 34.594 48.816 1.00 0.00 WT3 H ATOM 40467 H2 TIP3 3534 43.924 35.219 47.444 1.00 0.00 WT3 H ATOM 40468 OH2 TIP3 3537 70.155 48.851 0.274 1.00 0.00 WT3 O ATOM 40469 H1 TIP3 3537 69.550 48.749 1.008 1.00 0.00 WT3 H ATOM 40470 H2 TIP3 3537 70.989 49.086 0.680 1.00 0.00 WT3 H ATOM 40471 OH2 TIP3 3544 35.191 51.354 28.587 1.00 0.00 WT3 O ATOM 40472 H1 TIP3 3544 35.933 51.848 28.934 1.00 0.00 WT3 H ATOM 40473 H2 TIP3 3544 34.476 51.989 28.549 1.00 0.00 WT3 H ATOM 40474 OH2 TIP3 3545 80.000 52.660 45.886 1.00 0.00 WT3 O ATOM 40475 H1 TIP3 3545 80.016 51.908 45.294 1.00 0.00 WT3 H ATOM 40476 H2 TIP3 3545 79.627 53.369 45.362 1.00 0.00 WT3 H ATOM 40477 OH2 TIP3 3546 20.832 55.477 66.793 1.00 0.00 WT3 O ATOM 40478 H1 TIP3 3546 20.841 54.561 66.514 1.00 0.00 WT3 H ATOM 40479 H2 TIP3 3546 21.567 55.876 66.326 1.00 0.00 WT3 H ATOM 40480 OH2 TIP3 3548 47.012 77.551 -5.280 1.00 0.00 WT3 O ATOM 40481 H1 TIP3 3548 47.107 76.653 -5.597 1.00 0.00 WT3 H ATOM 40482 H2 TIP3 3548 46.275 77.905 -5.778 1.00 0.00 WT3 H ATOM 40483 OH2 TIP3 3552 57.159 6.873 13.785 1.00 0.00 WT3 O ATOM 40484 H1 TIP3 3552 56.326 7.138 14.174 1.00 0.00 WT3 H ATOM 40485 H2 TIP3 3552 57.804 7.016 14.477 1.00 0.00 WT3 H ATOM 40486 OH2 TIP3 3554 71.750 63.212 66.677 1.00 0.00 WT3 O ATOM 40487 H1 TIP3 3554 71.747 62.771 67.527 1.00 0.00 WT3 H ATOM 40488 H2 TIP3 3554 71.657 62.505 66.039 1.00 0.00 WT3 H ATOM 40489 OH2 TIP3 3555 47.229 72.487 -9.041 1.00 0.00 WT3 O ATOM 40490 H1 TIP3 3555 47.388 72.001 -8.232 1.00 0.00 WT3 H ATOM 40491 H2 TIP3 3555 47.971 72.267 -9.603 1.00 0.00 WT3 H ATOM 40492 OH2 TIP3 3556 41.430 83.842 40.132 1.00 0.00 WT3 O ATOM 40493 H1 TIP3 3556 41.612 83.784 41.070 1.00 0.00 WT3 H ATOM 40494 H2 TIP3 3556 41.799 83.038 39.766 1.00 0.00 WT3 H ATOM 40495 OH2 TIP3 3561 55.493 67.277 12.341 1.00 0.00 WT3 O ATOM 40496 H1 TIP3 3561 56.337 66.852 12.183 1.00 0.00 WT3 H ATOM 40497 H2 TIP3 3561 55.064 66.722 12.991 1.00 0.00 WT3 H ATOM 40498 OH2 TIP3 3566 37.811 94.087 29.272 1.00 0.00 WT3 O ATOM 40499 H1 TIP3 3566 38.532 94.628 28.950 1.00 0.00 WT3 H ATOM 40500 H2 TIP3 3566 37.818 94.216 30.220 1.00 0.00 WT3 H ATOM 40501 OH2 TIP3 3569 82.040 83.360 63.660 1.00 0.00 WT3 O ATOM 40502 H1 TIP3 3569 81.674 84.172 63.308 1.00 0.00 WT3 H ATOM 40503 H2 TIP3 3569 82.032 82.753 62.920 1.00 0.00 WT3 H ATOM 40504 OH2 TIP3 3571 32.515 85.987 4.388 1.00 0.00 WT3 O ATOM 40505 H1 TIP3 3571 32.228 85.918 5.298 1.00 0.00 WT3 H ATOM 40506 H2 TIP3 3571 33.306 85.450 4.344 1.00 0.00 WT3 H ATOM 40507 OH2 TIP3 3573 34.877 39.418 59.840 1.00 0.00 WT3 O ATOM 40508 H1 TIP3 3573 34.297 40.172 59.733 1.00 0.00 WT3 H ATOM 40509 H2 TIP3 3573 34.291 38.661 59.833 1.00 0.00 WT3 H ATOM 40510 OH2 TIP3 3575 39.711 2.646 65.553 1.00 0.00 WT3 O ATOM 40511 H1 TIP3 3575 40.152 2.953 64.762 1.00 0.00 WT3 H ATOM 40512 H2 TIP3 3575 39.788 3.374 66.169 1.00 0.00 WT3 H ATOM 40513 OH2 TIP3 3579 65.743 0.267 6.848 1.00 0.00 WT3 O ATOM 40514 H1 TIP3 3579 66.241 -0.036 6.089 1.00 0.00 WT3 H ATOM 40515 H2 TIP3 3579 66.342 0.161 7.586 1.00 0.00 WT3 H ATOM 40516 OH2 TIP3 3580 40.909 31.243 -18.658 1.00 0.00 WT3 O ATOM 40517 H1 TIP3 3580 41.127 30.725 -17.883 1.00 0.00 WT3 H ATOM 40518 H2 TIP3 3580 40.009 30.992 -18.869 1.00 0.00 WT3 H ATOM 40519 OH2 TIP3 3585 21.811 18.026 33.453 1.00 0.00 WT3 O ATOM 40520 H1 TIP3 3585 21.270 18.087 32.666 1.00 0.00 WT3 H ATOM 40521 H2 TIP3 3585 21.274 17.538 34.076 1.00 0.00 WT3 H ATOM 40522 OH2 TIP3 3586 35.195 48.150 17.644 1.00 0.00 WT3 O ATOM 40523 H1 TIP3 3586 35.599 47.785 16.856 1.00 0.00 WT3 H ATOM 40524 H2 TIP3 3586 35.846 48.764 17.984 1.00 0.00 WT3 H ATOM 40525 OH2 TIP3 3588 27.449 78.336 -19.649 1.00 0.00 WT3 O ATOM 40526 H1 TIP3 3588 28.328 78.673 -19.828 1.00 0.00 WT3 H ATOM 40527 H2 TIP3 3588 27.378 78.346 -18.694 1.00 0.00 WT3 H ATOM 40528 OH2 TIP3 3589 42.836 75.272 55.174 1.00 0.00 WT3 O ATOM 40529 H1 TIP3 3589 43.226 75.235 54.301 1.00 0.00 WT3 H ATOM 40530 H2 TIP3 3589 41.938 74.965 55.049 1.00 0.00 WT3 H ATOM 40531 OH2 TIP3 3590 34.986 1.968 50.090 1.00 0.00 WT3 O ATOM 40532 H1 TIP3 3590 35.655 2.060 50.769 1.00 0.00 WT3 H ATOM 40533 H2 TIP3 3590 34.408 2.719 50.220 1.00 0.00 WT3 H ATOM 40534 OH2 TIP3 3593 35.944 53.123 64.894 1.00 0.00 WT3 O ATOM 40535 H1 TIP3 3593 36.200 53.676 65.632 1.00 0.00 WT3 H ATOM 40536 H2 TIP3 3593 35.017 53.316 64.759 1.00 0.00 WT3 H ATOM 40537 OH2 TIP3 3595 49.565 64.357 65.599 1.00 0.00 WT3 O ATOM 40538 H1 TIP3 3595 50.295 64.931 65.368 1.00 0.00 WT3 H ATOM 40539 H2 TIP3 3595 48.804 64.936 65.628 1.00 0.00 WT3 H ATOM 40540 OH2 TIP3 3596 62.662 92.936 56.401 1.00 0.00 WT3 O ATOM 40541 H1 TIP3 3596 62.483 93.862 56.239 1.00 0.00 WT3 H ATOM 40542 H2 TIP3 3596 62.758 92.553 55.529 1.00 0.00 WT3 H ATOM 40543 OH2 TIP3 3597 76.736 50.283 3.761 1.00 0.00 WT3 O ATOM 40544 H1 TIP3 3597 75.823 50.554 3.666 1.00 0.00 WT3 H ATOM 40545 H2 TIP3 3597 76.819 50.037 4.682 1.00 0.00 WT3 H ATOM 40546 OH2 TIP3 3598 57.634 12.961 3.569 1.00 0.00 WT3 O ATOM 40547 H1 TIP3 3598 56.716 12.946 3.298 1.00 0.00 WT3 H ATOM 40548 H2 TIP3 3598 58.127 12.946 2.749 1.00 0.00 WT3 H ATOM 40549 OH2 TIP3 3599 41.397 42.604 -8.580 1.00 0.00 WT3 O ATOM 40550 H1 TIP3 3599 41.045 42.535 -7.692 1.00 0.00 WT3 H ATOM 40551 H2 TIP3 3599 41.547 43.541 -8.707 1.00 0.00 WT3 H ATOM 40552 OH2 TIP3 3600 54.553 85.340 16.008 1.00 0.00 WT3 O ATOM 40553 H1 TIP3 3600 55.264 84.798 15.665 1.00 0.00 WT3 H ATOM 40554 H2 TIP3 3600 54.927 85.767 16.778 1.00 0.00 WT3 H ATOM 40555 OH2 TIP3 3601 34.480 9.393 38.029 1.00 0.00 WT3 O ATOM 40556 H1 TIP3 3601 33.734 9.825 38.445 1.00 0.00 WT3 H ATOM 40557 H2 TIP3 3601 35.084 10.106 37.820 1.00 0.00 WT3 H ATOM 40558 OH2 TIP3 3603 85.956 69.585 6.653 1.00 0.00 WT3 O ATOM 40559 H1 TIP3 3603 85.789 69.714 5.719 1.00 0.00 WT3 H ATOM 40560 H2 TIP3 3603 86.228 68.670 6.723 1.00 0.00 WT3 H ATOM 40561 OH2 TIP3 3604 61.056 93.955 25.346 1.00 0.00 WT3 O ATOM 40562 H1 TIP3 3604 61.864 93.653 25.760 1.00 0.00 WT3 H ATOM 40563 H2 TIP3 3604 60.660 93.162 24.986 1.00 0.00 WT3 H ATOM 40564 OH2 TIP3 3607 52.555 96.000 -14.798 1.00 0.00 WT3 O ATOM 40565 H1 TIP3 3607 51.888 96.686 -14.817 1.00 0.00 WT3 H ATOM 40566 H2 TIP3 3607 52.103 95.216 -15.108 1.00 0.00 WT3 H ATOM 40567 OH2 TIP3 3608 64.811 84.563 41.478 1.00 0.00 WT3 O ATOM 40568 H1 TIP3 3608 64.454 83.773 41.883 1.00 0.00 WT3 H ATOM 40569 H2 TIP3 3608 64.758 85.229 42.164 1.00 0.00 WT3 H ATOM 40570 OH2 TIP3 3609 70.012 74.837 51.141 1.00 0.00 WT3 O ATOM 40571 H1 TIP3 3609 70.423 74.840 50.276 1.00 0.00 WT3 H ATOM 40572 H2 TIP3 3609 70.729 75.024 51.748 1.00 0.00 WT3 H ATOM 40573 OH2 TIP3 3610 42.961 74.813 27.529 1.00 0.00 WT3 O ATOM 40574 H1 TIP3 3610 43.574 74.225 27.087 1.00 0.00 WT3 H ATOM 40575 H2 TIP3 3610 43.498 75.281 28.170 1.00 0.00 WT3 H ATOM 40576 OH2 TIP3 3612 41.975 66.146 1.719 1.00 0.00 WT3 O ATOM 40577 H1 TIP3 3612 42.264 65.248 1.558 1.00 0.00 WT3 H ATOM 40578 H2 TIP3 3612 42.695 66.546 2.207 1.00 0.00 WT3 H ATOM 40579 OH2 TIP3 3613 81.265 72.282 61.794 1.00 0.00 WT3 O ATOM 40580 H1 TIP3 3613 81.190 71.332 61.887 1.00 0.00 WT3 H ATOM 40581 H2 TIP3 3613 80.872 72.633 62.592 1.00 0.00 WT3 H ATOM 40582 OH2 TIP3 3614 89.741 69.764 30.820 1.00 0.00 WT3 O ATOM 40583 H1 TIP3 3614 90.157 70.439 30.284 1.00 0.00 WT3 H ATOM 40584 H2 TIP3 3614 88.958 69.516 30.329 1.00 0.00 WT3 H ATOM 40585 OH2 TIP3 3615 72.608 93.911 -9.209 1.00 0.00 WT3 O ATOM 40586 H1 TIP3 3615 73.529 94.147 -9.093 1.00 0.00 WT3 H ATOM 40587 H2 TIP3 3615 72.218 94.035 -8.344 1.00 0.00 WT3 H ATOM 40588 OH2 TIP3 3616 58.843 69.871 29.738 1.00 0.00 WT3 O ATOM 40589 H1 TIP3 3616 58.912 69.130 29.136 1.00 0.00 WT3 H ATOM 40590 H2 TIP3 3616 58.052 69.694 30.247 1.00 0.00 WT3 H ATOM 40591 OH2 TIP3 3617 34.233 11.604 52.116 1.00 0.00 WT3 O ATOM 40592 H1 TIP3 3617 34.564 11.420 52.995 1.00 0.00 WT3 H ATOM 40593 H2 TIP3 3617 33.404 12.061 52.262 1.00 0.00 WT3 H ATOM 40594 OH2 TIP3 3618 40.090 10.507 -18.380 1.00 0.00 WT3 O ATOM 40595 H1 TIP3 3618 39.858 10.169 -19.244 1.00 0.00 WT3 H ATOM 40596 H2 TIP3 3618 39.292 10.931 -18.065 1.00 0.00 WT3 H ATOM 40597 OH2 TIP3 3619 84.252 82.548 54.915 1.00 0.00 WT3 O ATOM 40598 H1 TIP3 3619 83.473 82.553 55.472 1.00 0.00 WT3 H ATOM 40599 H2 TIP3 3619 84.011 83.083 54.160 1.00 0.00 WT3 H ATOM 40600 OH2 TIP3 3620 82.978 71.200 49.904 1.00 0.00 WT3 O ATOM 40601 H1 TIP3 3620 83.923 71.344 49.860 1.00 0.00 WT3 H ATOM 40602 H2 TIP3 3620 82.885 70.356 50.347 1.00 0.00 WT3 H ATOM 40603 OH2 TIP3 3621 79.577 87.585 22.994 1.00 0.00 WT3 O ATOM 40604 H1 TIP3 3621 79.473 88.367 22.451 1.00 0.00 WT3 H ATOM 40605 H2 TIP3 3621 80.064 87.888 23.760 1.00 0.00 WT3 H ATOM 40606 OH2 TIP3 3622 53.885 65.196 14.351 1.00 0.00 WT3 O ATOM 40607 H1 TIP3 3622 54.237 64.986 13.486 1.00 0.00 WT3 H ATOM 40608 H2 TIP3 3622 53.906 64.365 14.826 1.00 0.00 WT3 H ATOM 40609 OH2 TIP3 3623 73.725 32.285 -14.561 1.00 0.00 WT3 O ATOM 40610 H1 TIP3 3623 74.274 32.384 -15.339 1.00 0.00 WT3 H ATOM 40611 H2 TIP3 3623 73.829 33.111 -14.088 1.00 0.00 WT3 H ATOM 40612 OH2 TIP3 3624 54.874 70.171 3.970 1.00 0.00 WT3 O ATOM 40613 H1 TIP3 3624 54.507 70.598 4.744 1.00 0.00 WT3 H ATOM 40614 H2 TIP3 3624 55.385 69.440 4.318 1.00 0.00 WT3 H ATOM 40615 OH2 TIP3 3625 23.479 14.749 -6.082 1.00 0.00 WT3 O ATOM 40616 H1 TIP3 3625 22.684 15.077 -5.662 1.00 0.00 WT3 H ATOM 40617 H2 TIP3 3625 23.719 15.431 -6.709 1.00 0.00 WT3 H ATOM 40618 OH2 TIP3 3626 50.475 56.244 -5.970 1.00 0.00 WT3 O ATOM 40619 H1 TIP3 3626 50.538 57.146 -6.283 1.00 0.00 WT3 H ATOM 40620 H2 TIP3 3626 51.032 55.743 -6.566 1.00 0.00 WT3 H ATOM 40621 OH2 TIP3 3627 25.633 51.469 -3.857 1.00 0.00 WT3 O ATOM 40622 H1 TIP3 3627 25.490 51.718 -2.944 1.00 0.00 WT3 H ATOM 40623 H2 TIP3 3627 24.789 51.123 -4.147 1.00 0.00 WT3 H ATOM 40624 OH2 TIP3 3628 45.830 82.184 30.459 1.00 0.00 WT3 O ATOM 40625 H1 TIP3 3628 46.490 81.510 30.297 1.00 0.00 WT3 H ATOM 40626 H2 TIP3 3628 46.001 82.476 31.355 1.00 0.00 WT3 H ATOM 40627 OH2 TIP3 3629 72.326 73.535 -8.293 1.00 0.00 WT3 O ATOM 40628 H1 TIP3 3629 72.200 72.619 -8.044 1.00 0.00 WT3 H ATOM 40629 H2 TIP3 3629 73.019 73.849 -7.713 1.00 0.00 WT3 H ATOM 40630 OH2 TIP3 3630 41.408 11.999 29.594 1.00 0.00 WT3 O ATOM 40631 H1 TIP3 3630 41.725 12.630 28.947 1.00 0.00 WT3 H ATOM 40632 H2 TIP3 3630 41.779 11.162 29.314 1.00 0.00 WT3 H ATOM 40633 OH2 TIP3 3632 62.616 50.329 11.406 1.00 0.00 WT3 O ATOM 40634 H1 TIP3 3632 61.786 50.709 11.693 1.00 0.00 WT3 H ATOM 40635 H2 TIP3 3632 62.724 49.549 11.949 1.00 0.00 WT3 H ATOM 40636 OH2 TIP3 3633 81.862 32.044 7.808 1.00 0.00 WT3 O ATOM 40637 H1 TIP3 3633 81.415 32.845 7.535 1.00 0.00 WT3 H ATOM 40638 H2 TIP3 3633 81.212 31.571 8.328 1.00 0.00 WT3 H ATOM 40639 OH2 TIP3 3634 50.859 1.642 -7.436 1.00 0.00 WT3 O ATOM 40640 H1 TIP3 3634 51.545 1.465 -8.079 1.00 0.00 WT3 H ATOM 40641 H2 TIP3 3634 50.331 0.844 -7.423 1.00 0.00 WT3 H ATOM 40642 OH2 TIP3 3635 33.862 64.972 41.724 1.00 0.00 WT3 O ATOM 40643 H1 TIP3 3635 34.478 65.698 41.628 1.00 0.00 WT3 H ATOM 40644 H2 TIP3 3635 34.236 64.268 41.195 1.00 0.00 WT3 H ATOM 40645 OH2 TIP3 3636 77.027 62.573 9.839 1.00 0.00 WT3 O ATOM 40646 H1 TIP3 3636 76.554 63.406 9.826 1.00 0.00 WT3 H ATOM 40647 H2 TIP3 3636 77.084 62.315 8.919 1.00 0.00 WT3 H ATOM 40648 OH2 TIP3 3637 61.321 21.414 2.733 1.00 0.00 WT3 O ATOM 40649 H1 TIP3 3637 62.002 22.082 2.663 1.00 0.00 WT3 H ATOM 40650 H2 TIP3 3637 60.874 21.611 3.556 1.00 0.00 WT3 H ATOM 40651 OH2 TIP3 3638 45.001 70.787 -19.963 1.00 0.00 WT3 O ATOM 40652 H1 TIP3 3638 45.217 69.904 -19.664 1.00 0.00 WT3 H ATOM 40653 H2 TIP3 3638 45.380 71.364 -19.300 1.00 0.00 WT3 H ATOM 40654 OH2 TIP3 3639 78.663 18.328 64.199 1.00 0.00 WT3 O ATOM 40655 H1 TIP3 3639 79.306 17.661 63.961 1.00 0.00 WT3 H ATOM 40656 H2 TIP3 3639 78.681 18.950 63.472 1.00 0.00 WT3 H ATOM 40657 OH2 TIP3 3640 78.874 43.322 22.916 1.00 0.00 WT3 O ATOM 40658 H1 TIP3 3640 79.559 43.917 23.221 1.00 0.00 WT3 H ATOM 40659 H2 TIP3 3640 78.293 43.220 23.670 1.00 0.00 WT3 H ATOM 40660 OH2 TIP3 3641 75.762 60.867 51.437 1.00 0.00 WT3 O ATOM 40661 H1 TIP3 3641 75.532 59.945 51.555 1.00 0.00 WT3 H ATOM 40662 H2 TIP3 3641 75.200 61.335 52.055 1.00 0.00 WT3 H ATOM 40663 OH2 TIP3 3644 32.072 45.488 26.212 1.00 0.00 WT3 O ATOM 40664 H1 TIP3 3644 31.672 45.715 25.373 1.00 0.00 WT3 H ATOM 40665 H2 TIP3 3644 32.980 45.781 26.131 1.00 0.00 WT3 H ATOM 40666 OH2 TIP3 3645 39.623 71.526 64.179 1.00 0.00 WT3 O ATOM 40667 H1 TIP3 3645 38.732 71.184 64.104 1.00 0.00 WT3 H ATOM 40668 H2 TIP3 3645 40.069 70.908 64.759 1.00 0.00 WT3 H ATOM 40669 OH2 TIP3 3646 59.624 90.430 4.751 1.00 0.00 WT3 O ATOM 40670 H1 TIP3 3646 59.351 90.285 3.845 1.00 0.00 WT3 H ATOM 40671 H2 TIP3 3646 59.630 89.556 5.142 1.00 0.00 WT3 H ATOM 40672 OH2 TIP3 3647 60.138 70.415 48.315 1.00 0.00 WT3 O ATOM 40673 H1 TIP3 3647 59.784 69.617 47.923 1.00 0.00 WT3 H ATOM 40674 H2 TIP3 3647 61.084 70.344 48.192 1.00 0.00 WT3 H ATOM 40675 OH2 TIP3 3648 55.887 11.096 59.950 1.00 0.00 WT3 O ATOM 40676 H1 TIP3 3648 55.393 10.687 59.239 1.00 0.00 WT3 H ATOM 40677 H2 TIP3 3648 56.072 10.380 60.558 1.00 0.00 WT3 H ATOM 40678 OH2 TIP3 3649 55.897 84.154 39.326 1.00 0.00 WT3 O ATOM 40679 H1 TIP3 3649 55.965 83.211 39.176 1.00 0.00 WT3 H ATOM 40680 H2 TIP3 3649 56.669 84.522 38.895 1.00 0.00 WT3 H ATOM 40681 OH2 TIP3 3650 30.758 39.441 55.084 1.00 0.00 WT3 O ATOM 40682 H1 TIP3 3650 31.365 39.608 54.363 1.00 0.00 WT3 H ATOM 40683 H2 TIP3 3650 30.044 38.944 54.685 1.00 0.00 WT3 H ATOM 40684 OH2 TIP3 3651 57.321 31.200 59.141 1.00 0.00 WT3 O ATOM 40685 H1 TIP3 3651 56.447 30.914 58.875 1.00 0.00 WT3 H ATOM 40686 H2 TIP3 3651 57.298 31.184 60.097 1.00 0.00 WT3 H ATOM 40687 OH2 TIP3 3652 32.365 67.510 -10.445 1.00 0.00 WT3 O ATOM 40688 H1 TIP3 3652 31.496 67.266 -10.128 1.00 0.00 WT3 H ATOM 40689 H2 TIP3 3652 32.641 66.768 -10.984 1.00 0.00 WT3 H ATOM 40690 OH2 TIP3 3653 64.736 80.869 -1.877 1.00 0.00 WT3 O ATOM 40691 H1 TIP3 3653 64.905 80.030 -2.305 1.00 0.00 WT3 H ATOM 40692 H2 TIP3 3653 63.962 81.214 -2.323 1.00 0.00 WT3 H ATOM 40693 OH2 TIP3 3654 61.401 83.514 14.361 1.00 0.00 WT3 O ATOM 40694 H1 TIP3 3654 60.715 84.104 14.673 1.00 0.00 WT3 H ATOM 40695 H2 TIP3 3654 62.163 83.724 14.902 1.00 0.00 WT3 H ATOM 40696 OH2 TIP3 3655 47.542 93.315 32.220 1.00 0.00 WT3 O ATOM 40697 H1 TIP3 3655 47.746 93.352 33.154 1.00 0.00 WT3 H ATOM 40698 H2 TIP3 3655 46.891 92.618 32.144 1.00 0.00 WT3 H ATOM 40699 OH2 TIP3 3656 75.279 67.878 38.823 1.00 0.00 WT3 O ATOM 40700 H1 TIP3 3656 74.581 68.426 38.464 1.00 0.00 WT3 H ATOM 40701 H2 TIP3 3656 75.223 67.061 38.327 1.00 0.00 WT3 H ATOM 40702 OH2 TIP3 3657 57.794 4.120 -11.530 1.00 0.00 WT3 O ATOM 40703 H1 TIP3 3657 58.219 3.276 -11.378 1.00 0.00 WT3 H ATOM 40704 H2 TIP3 3657 58.429 4.767 -11.225 1.00 0.00 WT3 H ATOM 40705 OH2 TIP3 3658 36.017 93.381 -1.239 1.00 0.00 WT3 O ATOM 40706 H1 TIP3 3658 35.139 93.046 -1.423 1.00 0.00 WT3 H ATOM 40707 H2 TIP3 3658 36.187 94.008 -1.942 1.00 0.00 WT3 H ATOM 40708 OH2 TIP3 3660 41.251 35.013 8.438 1.00 0.00 WT3 O ATOM 40709 H1 TIP3 3660 41.925 35.354 9.025 1.00 0.00 WT3 H ATOM 40710 H2 TIP3 3660 40.611 34.602 9.020 1.00 0.00 WT3 H ATOM 40711 OH2 TIP3 3661 51.764 34.299 61.418 1.00 0.00 WT3 O ATOM 40712 H1 TIP3 3661 52.160 34.448 62.277 1.00 0.00 WT3 H ATOM 40713 H2 TIP3 3661 50.863 34.041 61.611 1.00 0.00 WT3 H ATOM 40714 OH2 TIP3 3662 65.796 21.132 -19.145 1.00 0.00 WT3 O ATOM 40715 H1 TIP3 3662 65.802 22.039 -19.454 1.00 0.00 WT3 H ATOM 40716 H2 TIP3 3662 66.639 20.777 -19.429 1.00 0.00 WT3 H ATOM 40717 OH2 TIP3 3663 24.138 28.386 20.743 1.00 0.00 WT3 O ATOM 40718 H1 TIP3 3663 23.690 28.032 19.975 1.00 0.00 WT3 H ATOM 40719 H2 TIP3 3663 23.539 29.049 21.086 1.00 0.00 WT3 H ATOM 40720 OH2 TIP3 3665 89.287 70.896 54.165 1.00 0.00 WT3 O ATOM 40721 H1 TIP3 3665 89.745 71.032 54.994 1.00 0.00 WT3 H ATOM 40722 H2 TIP3 3665 89.064 69.965 54.162 1.00 0.00 WT3 H ATOM 40723 OH2 TIP3 3666 22.041 49.513 19.478 1.00 0.00 WT3 O ATOM 40724 H1 TIP3 3666 22.189 50.316 18.978 1.00 0.00 WT3 H ATOM 40725 H2 TIP3 3666 22.478 49.669 20.315 1.00 0.00 WT3 H ATOM 40726 OH2 TIP3 3667 47.693 18.532 44.280 1.00 0.00 WT3 O ATOM 40727 H1 TIP3 3667 48.494 18.289 43.815 1.00 0.00 WT3 H ATOM 40728 H2 TIP3 3667 46.997 18.419 43.633 1.00 0.00 WT3 H ATOM 40729 OH2 TIP3 3669 25.514 93.910 41.285 1.00 0.00 WT3 O ATOM 40730 H1 TIP3 3669 25.054 94.504 40.691 1.00 0.00 WT3 H ATOM 40731 H2 TIP3 3669 25.101 93.059 41.139 1.00 0.00 WT3 H ATOM 40732 OH2 TIP3 3670 82.568 5.979 66.509 1.00 0.00 WT3 O ATOM 40733 H1 TIP3 3670 82.855 6.820 66.866 1.00 0.00 WT3 H ATOM 40734 H2 TIP3 3670 81.724 5.814 66.930 1.00 0.00 WT3 H ATOM 40735 OH2 TIP3 3671 46.371 90.900 35.239 1.00 0.00 WT3 O ATOM 40736 H1 TIP3 3671 47.071 90.426 34.789 1.00 0.00 WT3 H ATOM 40737 H2 TIP3 3671 45.847 91.281 34.535 1.00 0.00 WT3 H ATOM 40738 OH2 TIP3 3672 41.307 44.996 -19.433 1.00 0.00 WT3 O ATOM 40739 H1 TIP3 3672 41.747 44.907 -20.279 1.00 0.00 WT3 H ATOM 40740 H2 TIP3 3672 42.009 44.910 -18.788 1.00 0.00 WT3 H ATOM 40741 OH2 TIP3 3673 50.987 9.453 -18.800 1.00 0.00 WT3 O ATOM 40742 H1 TIP3 3673 50.170 8.985 -18.627 1.00 0.00 WT3 H ATOM 40743 H2 TIP3 3673 51.662 8.776 -18.773 1.00 0.00 WT3 H ATOM 40744 OH2 TIP3 3674 28.338 55.379 1.833 1.00 0.00 WT3 O ATOM 40745 H1 TIP3 3674 28.015 54.718 2.445 1.00 0.00 WT3 H ATOM 40746 H2 TIP3 3674 29.283 55.232 1.797 1.00 0.00 WT3 H ATOM 40747 OH2 TIP3 3675 68.996 9.931 43.833 1.00 0.00 WT3 O ATOM 40748 H1 TIP3 3675 68.316 10.565 44.060 1.00 0.00 WT3 H ATOM 40749 H2 TIP3 3675 69.386 9.687 44.672 1.00 0.00 WT3 H ATOM 40750 OH2 TIP3 3676 35.713 57.389 -6.528 1.00 0.00 WT3 O ATOM 40751 H1 TIP3 3676 35.190 56.926 -5.874 1.00 0.00 WT3 H ATOM 40752 H2 TIP3 3676 35.659 58.310 -6.271 1.00 0.00 WT3 H ATOM 40753 OH2 TIP3 3678 70.701 69.165 18.909 1.00 0.00 WT3 O ATOM 40754 H1 TIP3 3678 70.001 68.597 19.231 1.00 0.00 WT3 H ATOM 40755 H2 TIP3 3678 71.046 68.709 18.142 1.00 0.00 WT3 H ATOM 40756 OH2 TIP3 3680 57.847 55.115 55.527 1.00 0.00 WT3 O ATOM 40757 H1 TIP3 3680 57.283 55.421 54.816 1.00 0.00 WT3 H ATOM 40758 H2 TIP3 3680 57.465 54.280 55.795 1.00 0.00 WT3 H ATOM 40759 OH2 TIP3 3682 61.658 62.267 -14.906 1.00 0.00 WT3 O ATOM 40760 H1 TIP3 3682 60.895 62.294 -15.482 1.00 0.00 WT3 H ATOM 40761 H2 TIP3 3682 61.443 61.600 -14.254 1.00 0.00 WT3 H ATOM 40762 OH2 TIP3 3684 68.452 55.423 -0.733 1.00 0.00 WT3 O ATOM 40763 H1 TIP3 3684 67.972 55.891 -0.050 1.00 0.00 WT3 H ATOM 40764 H2 TIP3 3684 67.865 55.435 -1.489 1.00 0.00 WT3 H ATOM 40765 OH2 TIP3 3685 26.124 17.966 16.019 1.00 0.00 WT3 O ATOM 40766 H1 TIP3 3685 25.805 18.718 15.521 1.00 0.00 WT3 H ATOM 40767 H2 TIP3 3685 26.792 17.572 15.458 1.00 0.00 WT3 H ATOM 40768 OH2 TIP3 3686 63.806 77.826 -4.072 1.00 0.00 WT3 O ATOM 40769 H1 TIP3 3686 63.312 77.020 -3.922 1.00 0.00 WT3 H ATOM 40770 H2 TIP3 3686 64.650 77.674 -3.647 1.00 0.00 WT3 H ATOM 40771 OH2 TIP3 3688 35.864 96.019 16.809 1.00 0.00 WT3 O ATOM 40772 H1 TIP3 3688 34.978 96.366 16.707 1.00 0.00 WT3 H ATOM 40773 H2 TIP3 3688 35.874 95.638 17.687 1.00 0.00 WT3 H ATOM 40774 OH2 TIP3 3689 28.599 88.174 11.430 1.00 0.00 WT3 O ATOM 40775 H1 TIP3 3689 28.405 87.240 11.511 1.00 0.00 WT3 H ATOM 40776 H2 TIP3 3689 28.801 88.455 12.323 1.00 0.00 WT3 H ATOM 40777 OH2 TIP3 3690 26.590 38.005 52.156 1.00 0.00 WT3 O ATOM 40778 H1 TIP3 3690 26.694 38.210 53.085 1.00 0.00 WT3 H ATOM 40779 H2 TIP3 3690 27.213 38.580 51.712 1.00 0.00 WT3 H ATOM 40780 OH2 TIP3 3691 77.501 45.954 36.023 1.00 0.00 WT3 O ATOM 40781 H1 TIP3 3691 76.664 45.556 36.262 1.00 0.00 WT3 H ATOM 40782 H2 TIP3 3691 77.497 46.803 36.465 1.00 0.00 WT3 H ATOM 40783 OH2 TIP3 3692 85.437 55.743 32.766 1.00 0.00 WT3 O ATOM 40784 H1 TIP3 3692 86.173 55.160 32.954 1.00 0.00 WT3 H ATOM 40785 H2 TIP3 3692 85.620 56.533 33.273 1.00 0.00 WT3 H ATOM 40786 OH2 TIP3 3693 82.785 1.163 35.401 1.00 0.00 WT3 O ATOM 40787 H1 TIP3 3693 82.396 0.863 34.579 1.00 0.00 WT3 H ATOM 40788 H2 TIP3 3693 82.266 0.736 36.082 1.00 0.00 WT3 H ATOM 40789 OH2 TIP3 3694 61.722 13.741 0.608 1.00 0.00 WT3 O ATOM 40790 H1 TIP3 3694 62.243 13.929 1.389 1.00 0.00 WT3 H ATOM 40791 H2 TIP3 3694 60.814 13.825 0.898 1.00 0.00 WT3 H ATOM 40792 OH2 TIP3 3695 75.490 36.860 65.493 1.00 0.00 WT3 O ATOM 40793 H1 TIP3 3695 74.609 36.523 65.332 1.00 0.00 WT3 H ATOM 40794 H2 TIP3 3695 75.374 37.806 65.574 1.00 0.00 WT3 H ATOM 40795 OH2 TIP3 3696 62.762 62.465 22.341 1.00 0.00 WT3 O ATOM 40796 H1 TIP3 3696 62.422 61.954 21.606 1.00 0.00 WT3 H ATOM 40797 H2 TIP3 3696 61.989 62.879 22.724 1.00 0.00 WT3 H ATOM 40798 OH2 TIP3 3697 27.107 10.544 33.901 1.00 0.00 WT3 O ATOM 40799 H1 TIP3 3697 27.475 11.252 34.429 1.00 0.00 WT3 H ATOM 40800 H2 TIP3 3697 27.126 9.780 34.477 1.00 0.00 WT3 H ATOM 40801 OH2 TIP3 3700 64.144 80.819 55.679 1.00 0.00 WT3 O ATOM 40802 H1 TIP3 3700 64.787 80.432 55.085 1.00 0.00 WT3 H ATOM 40803 H2 TIP3 3700 63.789 80.075 56.165 1.00 0.00 WT3 H ATOM 40804 OH2 TIP3 3701 46.282 28.502 -6.674 1.00 0.00 WT3 O ATOM 40805 H1 TIP3 3701 46.897 27.891 -7.078 1.00 0.00 WT3 H ATOM 40806 H2 TIP3 3701 45.618 27.943 -6.270 1.00 0.00 WT3 H ATOM 40807 OH2 TIP3 3703 37.288 58.379 47.438 1.00 0.00 WT3 O ATOM 40808 H1 TIP3 3703 36.757 58.912 46.846 1.00 0.00 WT3 H ATOM 40809 H2 TIP3 3703 37.780 59.015 47.957 1.00 0.00 WT3 H ATOM 40810 OH2 TIP3 3704 27.801 45.081 -1.257 1.00 0.00 WT3 O ATOM 40811 H1 TIP3 3704 26.861 45.154 -1.419 1.00 0.00 WT3 H ATOM 40812 H2 TIP3 3704 27.870 44.885 -0.323 1.00 0.00 WT3 H ATOM 40813 OH2 TIP3 3707 36.832 85.142 5.946 1.00 0.00 WT3 O ATOM 40814 H1 TIP3 3707 35.967 84.846 5.662 1.00 0.00 WT3 H ATOM 40815 H2 TIP3 3707 37.125 84.471 6.563 1.00 0.00 WT3 H ATOM 40816 OH2 TIP3 3708 83.114 53.128 23.833 1.00 0.00 WT3 O ATOM 40817 H1 TIP3 3708 82.779 53.767 24.462 1.00 0.00 WT3 H ATOM 40818 H2 TIP3 3708 82.331 52.770 23.415 1.00 0.00 WT3 H ATOM 40819 OH2 TIP3 3709 73.182 88.893 40.079 1.00 0.00 WT3 O ATOM 40820 H1 TIP3 3709 72.480 89.540 40.148 1.00 0.00 WT3 H ATOM 40821 H2 TIP3 3709 73.135 88.400 40.898 1.00 0.00 WT3 H ATOM 40822 OH2 TIP3 3710 74.215 82.516 36.887 1.00 0.00 WT3 O ATOM 40823 H1 TIP3 3710 73.389 82.316 36.447 1.00 0.00 WT3 H ATOM 40824 H2 TIP3 3710 74.291 81.849 37.569 1.00 0.00 WT3 H ATOM 40825 OH2 TIP3 3712 68.827 59.040 26.674 1.00 0.00 WT3 O ATOM 40826 H1 TIP3 3712 68.220 59.255 25.966 1.00 0.00 WT3 H ATOM 40827 H2 TIP3 3712 69.685 59.307 26.343 1.00 0.00 WT3 H ATOM 40828 OH2 TIP3 3715 63.520 72.882 32.732 1.00 0.00 WT3 O ATOM 40829 H1 TIP3 3715 62.608 72.626 32.594 1.00 0.00 WT3 H ATOM 40830 H2 TIP3 3715 63.893 72.171 33.253 1.00 0.00 WT3 H ATOM 40831 OH2 TIP3 3716 46.876 79.614 43.196 1.00 0.00 WT3 O ATOM 40832 H1 TIP3 3716 46.252 80.335 43.114 1.00 0.00 WT3 H ATOM 40833 H2 TIP3 3716 46.806 79.339 44.110 1.00 0.00 WT3 H ATOM 40834 OH2 TIP3 3717 21.516 3.005 40.823 1.00 0.00 WT3 O ATOM 40835 H1 TIP3 3717 21.217 3.913 40.858 1.00 0.00 WT3 H ATOM 40836 H2 TIP3 3717 22.200 2.951 41.490 1.00 0.00 WT3 H ATOM 40837 OH2 TIP3 3718 67.706 81.623 9.498 1.00 0.00 WT3 O ATOM 40838 H1 TIP3 3718 67.503 81.613 8.563 1.00 0.00 WT3 H ATOM 40839 H2 TIP3 3718 67.026 81.080 9.897 1.00 0.00 WT3 H ATOM 40840 OH2 TIP3 3720 52.961 57.762 61.439 1.00 0.00 WT3 O ATOM 40841 H1 TIP3 3720 52.451 58.339 60.872 1.00 0.00 WT3 H ATOM 40842 H2 TIP3 3720 52.602 56.889 61.280 1.00 0.00 WT3 H ATOM 40843 OH2 TIP3 3721 23.569 64.310 63.573 1.00 0.00 WT3 O ATOM 40844 H1 TIP3 3721 23.061 65.098 63.766 1.00 0.00 WT3 H ATOM 40845 H2 TIP3 3721 24.463 64.530 63.835 1.00 0.00 WT3 H ATOM 40846 OH2 TIP3 3722 33.524 81.682 52.171 1.00 0.00 WT3 O ATOM 40847 H1 TIP3 3722 33.792 82.287 52.863 1.00 0.00 WT3 H ATOM 40848 H2 TIP3 3722 32.568 81.680 52.210 1.00 0.00 WT3 H ATOM 40849 OH2 TIP3 3723 76.578 3.075 -12.241 1.00 0.00 WT3 O ATOM 40850 H1 TIP3 3723 76.768 2.635 -13.070 1.00 0.00 WT3 H ATOM 40851 H2 TIP3 3723 75.841 3.652 -12.440 1.00 0.00 WT3 H ATOM 40852 OH2 TIP3 3724 55.801 64.696 -10.847 1.00 0.00 WT3 O ATOM 40853 H1 TIP3 3724 55.405 63.889 -10.518 1.00 0.00 WT3 H ATOM 40854 H2 TIP3 3724 56.461 64.924 -10.192 1.00 0.00 WT3 H ATOM 40855 OH2 TIP3 3725 29.080 72.197 59.134 1.00 0.00 WT3 O ATOM 40856 H1 TIP3 3725 29.748 71.551 59.362 1.00 0.00 WT3 H ATOM 40857 H2 TIP3 3725 28.775 72.535 59.976 1.00 0.00 WT3 H ATOM 40858 OH2 TIP3 3726 34.119 14.989 20.081 1.00 0.00 WT3 O ATOM 40859 H1 TIP3 3726 34.713 15.141 19.346 1.00 0.00 WT3 H ATOM 40860 H2 TIP3 3726 33.897 15.865 20.396 1.00 0.00 WT3 H ATOM 40861 OH2 TIP3 3727 52.488 6.644 44.234 1.00 0.00 WT3 O ATOM 40862 H1 TIP3 3727 51.624 6.565 44.638 1.00 0.00 WT3 H ATOM 40863 H2 TIP3 3727 53.074 6.176 44.828 1.00 0.00 WT3 H ATOM 40864 OH2 TIP3 3728 61.193 23.127 26.620 1.00 0.00 WT3 O ATOM 40865 H1 TIP3 3728 60.947 23.362 25.725 1.00 0.00 WT3 H ATOM 40866 H2 TIP3 3728 60.949 23.890 27.144 1.00 0.00 WT3 H ATOM 40867 OH2 TIP3 3729 82.118 4.360 -15.848 1.00 0.00 WT3 O ATOM 40868 H1 TIP3 3729 82.337 5.171 -15.389 1.00 0.00 WT3 H ATOM 40869 H2 TIP3 3729 82.952 3.897 -15.929 1.00 0.00 WT3 H ATOM 40870 OH2 TIP3 3732 62.473 89.162 30.493 1.00 0.00 WT3 O ATOM 40871 H1 TIP3 3732 62.975 88.387 30.744 1.00 0.00 WT3 H ATOM 40872 H2 TIP3 3732 62.498 89.725 31.267 1.00 0.00 WT3 H ATOM 40873 OH2 TIP3 3733 26.457 36.580 36.640 1.00 0.00 WT3 O ATOM 40874 H1 TIP3 3733 26.541 37.408 36.166 1.00 0.00 WT3 H ATOM 40875 H2 TIP3 3733 25.854 36.060 36.110 1.00 0.00 WT3 H ATOM 40876 OH2 TIP3 3734 67.897 61.789 39.305 1.00 0.00 WT3 O ATOM 40877 H1 TIP3 3734 68.292 61.310 40.034 1.00 0.00 WT3 H ATOM 40878 H2 TIP3 3734 67.286 61.166 38.912 1.00 0.00 WT3 H ATOM 40879 OH2 TIP3 3736 81.146 84.339 56.206 1.00 0.00 WT3 O ATOM 40880 H1 TIP3 3736 80.725 83.925 55.453 1.00 0.00 WT3 H ATOM 40881 H2 TIP3 3736 80.485 84.311 56.897 1.00 0.00 WT3 H ATOM 40882 OH2 TIP3 3738 31.258 15.799 60.315 1.00 0.00 WT3 O ATOM 40883 H1 TIP3 3738 31.007 15.842 59.392 1.00 0.00 WT3 H ATOM 40884 H2 TIP3 3738 30.636 15.184 60.704 1.00 0.00 WT3 H ATOM 40885 OH2 TIP3 3740 83.198 58.944 9.906 1.00 0.00 WT3 O ATOM 40886 H1 TIP3 3740 83.712 59.459 9.285 1.00 0.00 WT3 H ATOM 40887 H2 TIP3 3740 82.518 58.533 9.372 1.00 0.00 WT3 H ATOM 40888 OH2 TIP3 3741 41.513 2.462 0.870 1.00 0.00 WT3 O ATOM 40889 H1 TIP3 3741 41.415 3.329 0.476 1.00 0.00 WT3 H ATOM 40890 H2 TIP3 3741 40.634 2.237 1.178 1.00 0.00 WT3 H ATOM 40891 OH2 TIP3 3742 56.933 58.938 58.927 1.00 0.00 WT3 O ATOM 40892 H1 TIP3 3742 57.414 58.143 58.695 1.00 0.00 WT3 H ATOM 40893 H2 TIP3 3742 56.031 58.758 58.661 1.00 0.00 WT3 H ATOM 40894 OH2 TIP3 3745 81.196 80.966 55.389 1.00 0.00 WT3 O ATOM 40895 H1 TIP3 3745 80.583 81.008 54.654 1.00 0.00 WT3 H ATOM 40896 H2 TIP3 3745 81.404 80.036 55.474 1.00 0.00 WT3 H ATOM 40897 OH2 TIP3 3750 25.872 27.422 41.275 1.00 0.00 WT3 O ATOM 40898 H1 TIP3 3750 26.579 27.953 41.641 1.00 0.00 WT3 H ATOM 40899 H2 TIP3 3750 25.139 28.030 41.183 1.00 0.00 WT3 H ATOM 40900 OH2 TIP3 3751 53.719 11.341 17.509 1.00 0.00 WT3 O ATOM 40901 H1 TIP3 3751 53.449 12.213 17.797 1.00 0.00 WT3 H ATOM 40902 H2 TIP3 3751 54.478 11.498 16.948 1.00 0.00 WT3 H ATOM 40903 OH2 TIP3 3753 38.034 80.205 14.292 1.00 0.00 WT3 O ATOM 40904 H1 TIP3 3753 38.586 80.817 13.805 1.00 0.00 WT3 H ATOM 40905 H2 TIP3 3753 38.422 80.176 15.167 1.00 0.00 WT3 H ATOM 40906 OH2 TIP3 3754 33.291 2.527 -14.070 1.00 0.00 WT3 O ATOM 40907 H1 TIP3 3754 32.955 3.162 -13.438 1.00 0.00 WT3 H ATOM 40908 H2 TIP3 3754 32.587 2.433 -14.712 1.00 0.00 WT3 H ATOM 40909 OH2 TIP3 3757 32.064 60.454 55.984 1.00 0.00 WT3 O ATOM 40910 H1 TIP3 3757 32.314 59.642 55.544 1.00 0.00 WT3 H ATOM 40911 H2 TIP3 3757 31.787 60.179 56.857 1.00 0.00 WT3 H ATOM 40912 OH2 TIP3 3759 46.653 51.954 -13.032 1.00 0.00 WT3 O ATOM 40913 H1 TIP3 3759 46.400 52.417 -12.234 1.00 0.00 WT3 H ATOM 40914 H2 TIP3 3759 47.479 52.361 -13.294 1.00 0.00 WT3 H ATOM 40915 OH2 TIP3 3775 81.304 19.740 56.346 1.00 0.00 WT3 O ATOM 40916 H1 TIP3 3775 80.873 19.283 55.624 1.00 0.00 WT3 H ATOM 40917 H2 TIP3 3775 82.236 19.561 56.221 1.00 0.00 WT3 H ATOM 40918 OH2 TIP3 3778 30.503 18.281 39.042 1.00 0.00 WT3 O ATOM 40919 H1 TIP3 3778 31.133 17.570 39.158 1.00 0.00 WT3 H ATOM 40920 H2 TIP3 3778 29.922 18.214 39.799 1.00 0.00 WT3 H ATOM 40921 OH2 TIP3 3787 46.098 75.643 29.177 1.00 0.00 WT3 O ATOM 40922 H1 TIP3 3787 45.869 75.158 29.971 1.00 0.00 WT3 H ATOM 40923 H2 TIP3 3787 47.015 75.420 29.017 1.00 0.00 WT3 H ATOM 40924 OH2 TIP3 3792 60.623 60.194 -10.121 1.00 0.00 WT3 O ATOM 40925 H1 TIP3 3792 60.139 59.936 -9.336 1.00 0.00 WT3 H ATOM 40926 H2 TIP3 3792 60.812 59.369 -10.568 1.00 0.00 WT3 H ATOM 40927 OH2 TIP3 3795 77.254 81.272 23.911 1.00 0.00 WT3 O ATOM 40928 H1 TIP3 3795 77.065 82.210 23.919 1.00 0.00 WT3 H ATOM 40929 H2 TIP3 3795 77.864 81.144 24.638 1.00 0.00 WT3 H ATOM 40930 OH2 TIP3 3803 60.536 92.143 -10.626 1.00 0.00 WT3 O ATOM 40931 H1 TIP3 3803 60.060 91.936 -9.822 1.00 0.00 WT3 H ATOM 40932 H2 TIP3 3803 60.235 91.489 -11.257 1.00 0.00 WT3 H ATOM 40933 OH2 TIP3 3821 81.218 72.643 9.151 1.00 0.00 WT3 O ATOM 40934 H1 TIP3 3821 82.024 72.825 9.633 1.00 0.00 WT3 H ATOM 40935 H2 TIP3 3821 81.235 71.697 9.003 1.00 0.00 WT3 H ATOM 40936 OH2 TIP3 3829 25.313 36.332 9.530 1.00 0.00 WT3 O ATOM 40937 H1 TIP3 3829 25.639 36.688 10.356 1.00 0.00 WT3 H ATOM 40938 H2 TIP3 3829 24.988 37.094 9.051 1.00 0.00 WT3 H ATOM 40939 OH2 TIP3 3834 79.387 22.770 7.608 1.00 0.00 WT3 O ATOM 40940 H1 TIP3 3834 79.011 21.909 7.422 1.00 0.00 WT3 H ATOM 40941 H2 TIP3 3834 79.261 22.889 8.549 1.00 0.00 WT3 H ATOM 40942 OH2 TIP3 3906 27.494 32.464 56.536 1.00 0.00 WT3 O ATOM 40943 H1 TIP3 3906 26.550 32.611 56.604 1.00 0.00 WT3 H ATOM 40944 H2 TIP3 3906 27.595 31.516 56.623 1.00 0.00 WT3 H ATOM 40945 OH2 TIP3 3924 61.363 74.490 55.753 1.00 0.00 WT3 O ATOM 40946 H1 TIP3 3924 61.386 73.548 55.924 1.00 0.00 WT3 H ATOM 40947 H2 TIP3 3924 60.752 74.586 55.023 1.00 0.00 WT3 H ATOM 40948 OH2 TIP3 3925 49.391 82.468 36.336 1.00 0.00 WT3 O ATOM 40949 H1 TIP3 3925 49.162 82.191 35.449 1.00 0.00 WT3 H ATOM 40950 H2 TIP3 3925 49.787 83.332 36.223 1.00 0.00 WT3 H ATOM 40951 OH2 TIP3 3931 64.260 29.698 -6.446 1.00 0.00 WT3 O ATOM 40952 H1 TIP3 3931 64.190 30.113 -7.306 1.00 0.00 WT3 H ATOM 40953 H2 TIP3 3931 63.829 30.310 -5.849 1.00 0.00 WT3 H ATOM 40954 OH2 TIP3 3933 54.541 92.481 6.109 1.00 0.00 WT3 O ATOM 40955 H1 TIP3 3933 55.263 93.108 6.153 1.00 0.00 WT3 H ATOM 40956 H2 TIP3 3933 54.012 92.669 6.885 1.00 0.00 WT3 H ATOM 40957 OH2 TIP3 3935 72.629 51.732 51.880 1.00 0.00 WT3 O ATOM 40958 H1 TIP3 3935 72.037 50.992 51.743 1.00 0.00 WT3 H ATOM 40959 H2 TIP3 3935 72.075 52.505 51.771 1.00 0.00 WT3 H ATOM 40960 OH2 TIP3 3951 25.564 13.300 53.571 1.00 0.00 WT3 O ATOM 40961 H1 TIP3 3951 25.011 13.770 52.946 1.00 0.00 WT3 H ATOM 40962 H2 TIP3 3951 25.003 13.168 54.335 1.00 0.00 WT3 H ATOM 40963 OH2 TIP3 3953 56.286 59.596 15.903 1.00 0.00 WT3 O ATOM 40964 H1 TIP3 3953 56.243 60.243 15.199 1.00 0.00 WT3 H ATOM 40965 H2 TIP3 3953 56.171 60.105 16.705 1.00 0.00 WT3 H ATOM 40966 OH2 TIP3 3973 26.423 83.449 -6.752 1.00 0.00 WT3 O ATOM 40967 H1 TIP3 3973 25.512 83.617 -6.515 1.00 0.00 WT3 H ATOM 40968 H2 TIP3 3973 26.373 82.805 -7.459 1.00 0.00 WT3 H ATOM 40969 OH2 TIP3 3974 34.445 81.542 6.548 1.00 0.00 WT3 O ATOM 40970 H1 TIP3 3974 33.933 81.542 7.357 1.00 0.00 WT3 H ATOM 40971 H2 TIP3 3974 34.014 80.894 5.991 1.00 0.00 WT3 H ATOM 40972 OH2 TIP3 3975 62.416 39.596 4.196 1.00 0.00 WT3 O ATOM 40973 H1 TIP3 3975 62.629 40.178 4.925 1.00 0.00 WT3 H ATOM 40974 H2 TIP3 3975 61.530 39.851 3.937 1.00 0.00 WT3 H ATOM 40975 OH2 TIP3 3976 37.405 35.223 -19.310 1.00 0.00 WT3 O ATOM 40976 H1 TIP3 3976 36.743 35.028 -19.973 1.00 0.00 WT3 H ATOM 40977 H2 TIP3 3976 37.995 35.846 -19.735 1.00 0.00 WT3 H ATOM 40978 OH2 TIP3 3977 54.668 12.742 44.339 1.00 0.00 WT3 O ATOM 40979 H1 TIP3 3977 54.816 13.068 45.227 1.00 0.00 WT3 H ATOM 40980 H2 TIP3 3977 53.835 12.273 44.391 1.00 0.00 WT3 H ATOM 40981 OH2 TIP3 3986 52.384 90.897 40.107 1.00 0.00 WT3 O ATOM 40982 H1 TIP3 3986 53.168 90.354 40.020 1.00 0.00 WT3 H ATOM 40983 H2 TIP3 3986 52.047 90.975 39.215 1.00 0.00 WT3 H ATOM 40984 OH2 TIP3 3991 53.371 86.509 2.619 1.00 0.00 WT3 O ATOM 40985 H1 TIP3 3991 52.877 86.132 1.892 1.00 0.00 WT3 H ATOM 40986 H2 TIP3 3991 52.706 86.740 3.268 1.00 0.00 WT3 H ATOM 40987 OH2 TIP3 3992 75.413 58.385 2.398 1.00 0.00 WT3 O ATOM 40988 H1 TIP3 3992 76.276 58.015 2.584 1.00 0.00 WT3 H ATOM 40989 H2 TIP3 3992 74.895 58.190 3.178 1.00 0.00 WT3 H ATOM 40990 OH2 TIP3 3993 76.371 53.550 51.602 1.00 0.00 WT3 O ATOM 40991 H1 TIP3 3993 75.852 52.887 51.147 1.00 0.00 WT3 H ATOM 40992 H2 TIP3 3993 76.023 54.384 51.288 1.00 0.00 WT3 H ATOM 40993 OH2 TIP3 3995 83.828 88.898 -6.540 1.00 0.00 WT3 O ATOM 40994 H1 TIP3 3995 83.042 88.477 -6.888 1.00 0.00 WT3 H ATOM 40995 H2 TIP3 3995 84.440 88.178 -6.390 1.00 0.00 WT3 H ATOM 40996 OH2 TIP3 3996 46.829 21.636 -16.731 1.00 0.00 WT3 O ATOM 40997 H1 TIP3 3996 47.484 21.979 -16.122 1.00 0.00 WT3 H ATOM 40998 H2 TIP3 3996 46.225 21.140 -16.178 1.00 0.00 WT3 H ATOM 40999 OH2 TIP3 3997 56.242 14.611 55.513 1.00 0.00 WT3 O ATOM 41000 H1 TIP3 3997 55.439 14.116 55.352 1.00 0.00 WT3 H ATOM 41001 H2 TIP3 3997 55.940 15.489 55.746 1.00 0.00 WT3 H ATOM 41002 OH2 TIP3 4000 61.875 13.796 -6.209 1.00 0.00 WT3 O ATOM 41003 H1 TIP3 4000 62.762 14.116 -6.371 1.00 0.00 WT3 H ATOM 41004 H2 TIP3 4000 61.985 12.862 -6.032 1.00 0.00 WT3 H ATOM 41005 OH2 TIP3 4001 31.722 48.322 4.225 1.00 0.00 WT3 O ATOM 41006 H1 TIP3 4001 31.635 49.274 4.264 1.00 0.00 WT3 H ATOM 41007 H2 TIP3 4001 32.667 48.167 4.253 1.00 0.00 WT3 H ATOM 41008 OH2 TIP3 4007 78.858 92.471 16.628 1.00 0.00 WT3 O ATOM 41009 H1 TIP3 4007 79.547 91.950 16.215 1.00 0.00 WT3 H ATOM 41010 H2 TIP3 4007 78.716 92.052 17.477 1.00 0.00 WT3 H ATOM 41011 OH2 TIP3 4009 89.101 55.555 39.819 1.00 0.00 WT3 O ATOM 41012 H1 TIP3 4009 88.467 56.272 39.813 1.00 0.00 WT3 H ATOM 41013 H2 TIP3 4009 88.789 54.965 40.505 1.00 0.00 WT3 H ATOM 41014 OH2 TIP3 4010 80.016 9.945 -16.419 1.00 0.00 WT3 O ATOM 41015 H1 TIP3 4010 79.172 9.513 -16.547 1.00 0.00 WT3 H ATOM 41016 H2 TIP3 4010 80.644 9.385 -16.875 1.00 0.00 WT3 H ATOM 41017 OH2 TIP3 4012 58.718 52.583 -1.239 1.00 0.00 WT3 O ATOM 41018 H1 TIP3 4012 59.262 53.255 -0.828 1.00 0.00 WT3 H ATOM 41019 H2 TIP3 4012 58.984 51.766 -0.816 1.00 0.00 WT3 H ATOM 41020 OH2 TIP3 4013 58.209 69.822 37.407 1.00 0.00 WT3 O ATOM 41021 H1 TIP3 4013 58.783 69.532 36.698 1.00 0.00 WT3 H ATOM 41022 H2 TIP3 4013 57.755 69.027 37.689 1.00 0.00 WT3 H ATOM 41023 OH2 TIP3 4014 84.371 56.773 61.445 1.00 0.00 WT3 O ATOM 41024 H1 TIP3 4014 83.471 56.987 61.688 1.00 0.00 WT3 H ATOM 41025 H2 TIP3 4014 84.901 57.449 61.868 1.00 0.00 WT3 H ATOM 41026 OH2 TIP3 4015 57.547 74.990 36.690 1.00 0.00 WT3 O ATOM 41027 H1 TIP3 4015 57.573 74.063 36.930 1.00 0.00 WT3 H ATOM 41028 H2 TIP3 4015 56.657 75.129 36.367 1.00 0.00 WT3 H ATOM 41029 OH2 TIP3 4016 81.597 77.832 -17.612 1.00 0.00 WT3 O ATOM 41030 H1 TIP3 4016 81.386 77.615 -18.520 1.00 0.00 WT3 H ATOM 41031 H2 TIP3 4016 81.795 78.768 -17.629 1.00 0.00 WT3 H ATOM 41032 OH2 TIP3 4017 40.007 1.168 -2.407 1.00 0.00 WT3 O ATOM 41033 H1 TIP3 4017 40.399 1.106 -1.537 1.00 0.00 WT3 H ATOM 41034 H2 TIP3 4017 40.174 0.315 -2.807 1.00 0.00 WT3 H ATOM 41035 OH2 TIP3 4018 54.870 77.551 2.407 1.00 0.00 WT3 O ATOM 41036 H1 TIP3 4018 55.431 76.865 2.768 1.00 0.00 WT3 H ATOM 41037 H2 TIP3 4018 55.473 78.141 1.955 1.00 0.00 WT3 H ATOM 41038 OH2 TIP3 4019 39.664 79.651 23.544 1.00 0.00 WT3 O ATOM 41039 H1 TIP3 4019 40.362 79.011 23.405 1.00 0.00 WT3 H ATOM 41040 H2 TIP3 4019 39.005 79.433 22.885 1.00 0.00 WT3 H ATOM 41041 OH2 TIP3 4020 76.681 70.064 62.396 1.00 0.00 WT3 O ATOM 41042 H1 TIP3 4020 76.491 69.131 62.294 1.00 0.00 WT3 H ATOM 41043 H2 TIP3 4020 75.997 70.385 62.984 1.00 0.00 WT3 H ATOM 41044 OH2 TIP3 4021 76.236 71.365 18.510 1.00 0.00 WT3 O ATOM 41045 H1 TIP3 4021 75.697 71.520 17.735 1.00 0.00 WT3 H ATOM 41046 H2 TIP3 4021 75.768 71.805 19.220 1.00 0.00 WT3 H ATOM 41047 OH2 TIP3 4022 65.815 42.543 1.822 1.00 0.00 WT3 O ATOM 41048 H1 TIP3 4022 66.215 43.392 2.015 1.00 0.00 WT3 H ATOM 41049 H2 TIP3 4022 64.883 42.671 1.997 1.00 0.00 WT3 H ATOM 41050 OH2 TIP3 4025 86.950 90.545 22.108 1.00 0.00 WT3 O ATOM 41051 H1 TIP3 4025 86.040 90.249 22.112 1.00 0.00 WT3 H ATOM 41052 H2 TIP3 4025 86.948 91.322 21.549 1.00 0.00 WT3 H ATOM 41053 OH2 TIP3 4026 77.136 58.174 26.548 1.00 0.00 WT3 O ATOM 41054 H1 TIP3 4026 76.509 58.780 26.155 1.00 0.00 WT3 H ATOM 41055 H2 TIP3 4026 76.632 57.702 27.211 1.00 0.00 WT3 H ATOM 41056 OH2 TIP3 4030 83.606 89.466 -18.820 1.00 0.00 WT3 O ATOM 41057 H1 TIP3 4030 84.130 89.613 -19.607 1.00 0.00 WT3 H ATOM 41058 H2 TIP3 4030 82.759 89.164 -19.148 1.00 0.00 WT3 H ATOM 41059 OH2 TIP3 4032 48.825 70.555 25.323 1.00 0.00 WT3 O ATOM 41060 H1 TIP3 4032 49.631 70.045 25.239 1.00 0.00 WT3 H ATOM 41061 H2 TIP3 4032 48.334 70.360 24.524 1.00 0.00 WT3 H ATOM 41062 OH2 TIP3 4035 25.954 33.182 6.190 1.00 0.00 WT3 O ATOM 41063 H1 TIP3 4035 26.172 33.811 5.502 1.00 0.00 WT3 H ATOM 41064 H2 TIP3 4035 26.396 33.517 6.970 1.00 0.00 WT3 H ATOM 41065 OH2 TIP3 4036 40.000 94.560 65.292 1.00 0.00 WT3 O ATOM 41066 H1 TIP3 4036 40.250 93.970 66.003 1.00 0.00 WT3 H ATOM 41067 H2 TIP3 4036 39.275 95.073 65.650 1.00 0.00 WT3 H ATOM 41068 OH2 TIP3 4037 64.152 64.617 -7.051 1.00 0.00 WT3 O ATOM 41069 H1 TIP3 4037 63.743 64.714 -6.192 1.00 0.00 WT3 H ATOM 41070 H2 TIP3 4037 64.031 63.693 -7.272 1.00 0.00 WT3 H ATOM 41071 OH2 TIP3 4039 83.460 27.592 53.178 1.00 0.00 WT3 O ATOM 41072 H1 TIP3 4039 83.589 28.146 52.408 1.00 0.00 WT3 H ATOM 41073 H2 TIP3 4039 84.181 27.823 53.764 1.00 0.00 WT3 H ATOM 41074 OH2 TIP3 4040 50.044 23.827 65.440 1.00 0.00 WT3 O ATOM 41075 H1 TIP3 4040 49.198 23.959 65.014 1.00 0.00 WT3 H ATOM 41076 H2 TIP3 4040 49.824 23.549 66.329 1.00 0.00 WT3 H ATOM 41077 OH2 TIP3 4043 33.716 93.976 -12.147 1.00 0.00 WT3 O ATOM 41078 H1 TIP3 4043 34.673 93.978 -12.152 1.00 0.00 WT3 H ATOM 41079 H2 TIP3 4043 33.479 94.305 -11.280 1.00 0.00 WT3 H ATOM 41080 OH2 TIP3 4044 58.922 20.762 36.709 1.00 0.00 WT3 O ATOM 41081 H1 TIP3 4044 59.027 21.677 36.972 1.00 0.00 WT3 H ATOM 41082 H2 TIP3 4044 58.039 20.718 36.343 1.00 0.00 WT3 H ATOM 41083 OH2 TIP3 4045 81.336 50.607 20.188 1.00 0.00 WT3 O ATOM 41084 H1 TIP3 4045 81.921 50.888 19.485 1.00 0.00 WT3 H ATOM 41085 H2 TIP3 4045 80.562 50.269 19.737 1.00 0.00 WT3 H ATOM 41086 OH2 TIP3 4047 39.351 23.709 35.791 1.00 0.00 WT3 O ATOM 41087 H1 TIP3 4047 39.361 23.311 34.921 1.00 0.00 WT3 H ATOM 41088 H2 TIP3 4047 39.604 24.620 35.642 1.00 0.00 WT3 H ATOM 41089 OH2 TIP3 4050 30.256 69.791 20.545 1.00 0.00 WT3 O ATOM 41090 H1 TIP3 4050 31.135 69.626 20.204 1.00 0.00 WT3 H ATOM 41091 H2 TIP3 4050 30.181 69.213 21.305 1.00 0.00 WT3 H ATOM 41092 OH2 TIP3 4052 42.204 71.924 25.667 1.00 0.00 WT3 O ATOM 41093 H1 TIP3 4052 42.931 71.371 25.951 1.00 0.00 WT3 H ATOM 41094 H2 TIP3 4052 42.565 72.448 24.951 1.00 0.00 WT3 H ATOM 41095 OH2 TIP3 4053 33.533 75.702 17.731 1.00 0.00 WT3 O ATOM 41096 H1 TIP3 4053 34.209 75.197 17.278 1.00 0.00 WT3 H ATOM 41097 H2 TIP3 4053 34.020 76.339 18.253 1.00 0.00 WT3 H ATOM 41098 OH2 TIP3 4054 78.728 88.082 26.095 1.00 0.00 WT3 O ATOM 41099 H1 TIP3 4054 78.116 87.745 26.749 1.00 0.00 WT3 H ATOM 41100 H2 TIP3 4054 78.916 87.331 25.532 1.00 0.00 WT3 H ATOM 41101 OH2 TIP3 4055 54.185 91.232 44.953 1.00 0.00 WT3 O ATOM 41102 H1 TIP3 4055 54.984 91.746 44.837 1.00 0.00 WT3 H ATOM 41103 H2 TIP3 4055 53.680 91.391 44.156 1.00 0.00 WT3 H ATOM 41104 OH2 TIP3 4056 86.747 86.671 26.429 1.00 0.00 WT3 O ATOM 41105 H1 TIP3 4056 86.456 87.103 25.626 1.00 0.00 WT3 H ATOM 41106 H2 TIP3 4056 86.215 85.877 26.481 1.00 0.00 WT3 H ATOM 41107 OH2 TIP3 4057 61.502 61.426 66.335 1.00 0.00 WT3 O ATOM 41108 H1 TIP3 4057 61.108 61.358 65.466 1.00 0.00 WT3 H ATOM 41109 H2 TIP3 4057 60.835 61.858 66.868 1.00 0.00 WT3 H ATOM 41110 OH2 TIP3 4059 63.868 84.279 16.403 1.00 0.00 WT3 O ATOM 41111 H1 TIP3 4059 64.760 83.993 16.208 1.00 0.00 WT3 H ATOM 41112 H2 TIP3 4059 63.558 83.665 17.068 1.00 0.00 WT3 H ATOM 41113 OH2 TIP3 4060 59.216 83.805 23.982 1.00 0.00 WT3 O ATOM 41114 H1 TIP3 4060 58.654 83.062 23.761 1.00 0.00 WT3 H ATOM 41115 H2 TIP3 4060 59.519 83.621 24.871 1.00 0.00 WT3 H ATOM 41116 OH2 TIP3 4061 63.339 71.678 37.603 1.00 0.00 WT3 O ATOM 41117 H1 TIP3 4061 62.790 71.328 38.304 1.00 0.00 WT3 H ATOM 41118 H2 TIP3 4061 62.901 71.405 36.796 1.00 0.00 WT3 H ATOM 41119 OH2 TIP3 4063 47.288 16.512 41.701 1.00 0.00 WT3 O ATOM 41120 H1 TIP3 4063 46.779 17.155 41.207 1.00 0.00 WT3 H ATOM 41121 H2 TIP3 4063 46.664 15.813 41.899 1.00 0.00 WT3 H ATOM 41122 OH2 TIP3 4064 67.316 11.842 1.822 1.00 0.00 WT3 O ATOM 41123 H1 TIP3 4064 66.467 11.496 2.097 1.00 0.00 WT3 H ATOM 41124 H2 TIP3 4064 67.936 11.495 2.462 1.00 0.00 WT3 H ATOM 41125 OH2 TIP3 4065 90.022 3.478 46.796 1.00 0.00 WT3 O ATOM 41126 H1 TIP3 4065 90.656 2.762 46.759 1.00 0.00 WT3 H ATOM 41127 H2 TIP3 4065 89.363 3.183 47.423 1.00 0.00 WT3 H ATOM 41128 OH2 TIP3 4066 60.014 89.414 -18.116 1.00 0.00 WT3 O ATOM 41129 H1 TIP3 4066 60.132 88.646 -18.675 1.00 0.00 WT3 H ATOM 41130 H2 TIP3 4066 60.813 89.926 -18.239 1.00 0.00 WT3 H ATOM 41131 OH2 TIP3 4067 77.932 62.418 -19.261 1.00 0.00 WT3 O ATOM 41132 H1 TIP3 4067 78.714 62.545 -18.724 1.00 0.00 WT3 H ATOM 41133 H2 TIP3 4067 77.708 61.495 -19.143 1.00 0.00 WT3 H ATOM 41134 OH2 TIP3 4068 56.189 5.487 -7.901 1.00 0.00 WT3 O ATOM 41135 H1 TIP3 4068 55.728 5.192 -8.687 1.00 0.00 WT3 H ATOM 41136 H2 TIP3 4068 56.976 4.943 -7.866 1.00 0.00 WT3 H ATOM 41137 OH2 TIP3 4069 55.190 68.078 41.627 1.00 0.00 WT3 O ATOM 41138 H1 TIP3 4069 55.698 67.964 40.824 1.00 0.00 WT3 H ATOM 41139 H2 TIP3 4069 55.397 67.306 42.154 1.00 0.00 WT3 H ATOM 41140 OH2 TIP3 4072 77.174 74.587 66.043 1.00 0.00 WT3 O ATOM 41141 H1 TIP3 4072 77.535 75.462 66.186 1.00 0.00 WT3 H ATOM 41142 H2 TIP3 4072 77.786 74.171 65.436 1.00 0.00 WT3 H ATOM 41143 OH2 TIP3 4073 70.174 65.392 11.152 1.00 0.00 WT3 O ATOM 41144 H1 TIP3 4073 69.237 65.201 11.182 1.00 0.00 WT3 H ATOM 41145 H2 TIP3 4073 70.521 64.789 10.494 1.00 0.00 WT3 H ATOM 41146 OH2 TIP3 4074 83.952 86.886 0.856 1.00 0.00 WT3 O ATOM 41147 H1 TIP3 4074 84.055 85.939 0.759 1.00 0.00 WT3 H ATOM 41148 H2 TIP3 4074 83.411 87.146 0.111 1.00 0.00 WT3 H ATOM 41149 OH2 TIP3 4075 39.353 0.075 39.097 1.00 0.00 WT3 O ATOM 41150 H1 TIP3 4075 38.505 -0.226 39.423 1.00 0.00 WT3 H ATOM 41151 H2 TIP3 4075 39.650 0.709 39.750 1.00 0.00 WT3 H ATOM 41152 OH2 TIP3 4076 74.433 40.017 -4.646 1.00 0.00 WT3 O ATOM 41153 H1 TIP3 4076 74.941 39.781 -5.423 1.00 0.00 WT3 H ATOM 41154 H2 TIP3 4076 73.721 40.561 -4.981 1.00 0.00 WT3 H ATOM 41155 OH2 TIP3 4077 27.832 69.473 7.882 1.00 0.00 WT3 O ATOM 41156 H1 TIP3 4077 28.472 69.239 8.554 1.00 0.00 WT3 H ATOM 41157 H2 TIP3 4077 28.148 69.041 7.088 1.00 0.00 WT3 H ATOM 41158 OH2 TIP3 4078 49.444 59.810 61.066 1.00 0.00 WT3 O ATOM 41159 H1 TIP3 4078 48.857 59.773 60.311 1.00 0.00 WT3 H ATOM 41160 H2 TIP3 4078 49.513 60.742 61.271 1.00 0.00 WT3 H ATOM 41161 OH2 TIP3 4079 24.352 34.146 43.668 1.00 0.00 WT3 O ATOM 41162 H1 TIP3 4079 24.362 34.974 43.187 1.00 0.00 WT3 H ATOM 41163 H2 TIP3 4079 23.940 34.360 44.505 1.00 0.00 WT3 H ATOM 41164 OH2 TIP3 4080 58.718 17.890 29.079 1.00 0.00 WT3 O ATOM 41165 H1 TIP3 4080 59.449 17.931 29.695 1.00 0.00 WT3 H ATOM 41166 H2 TIP3 4080 58.638 18.781 28.740 1.00 0.00 WT3 H ATOM 41167 OH2 TIP3 4081 85.792 58.346 33.697 1.00 0.00 WT3 O ATOM 41168 H1 TIP3 4081 86.032 59.117 34.211 1.00 0.00 WT3 H ATOM 41169 H2 TIP3 4081 85.063 58.638 33.151 1.00 0.00 WT3 H ATOM 41170 OH2 TIP3 4083 46.961 94.950 65.453 1.00 0.00 WT3 O ATOM 41171 H1 TIP3 4083 47.815 94.520 65.404 1.00 0.00 WT3 H ATOM 41172 H2 TIP3 4083 46.896 95.252 66.359 1.00 0.00 WT3 H ATOM 41173 OH2 TIP3 4085 35.940 61.462 23.322 1.00 0.00 WT3 O ATOM 41174 H1 TIP3 4085 36.389 61.318 22.489 1.00 0.00 WT3 H ATOM 41175 H2 TIP3 4085 36.645 61.623 23.950 1.00 0.00 WT3 H ATOM 41176 OH2 TIP3 4086 33.006 67.221 -2.754 1.00 0.00 WT3 O ATOM 41177 H1 TIP3 4086 33.701 67.690 -3.215 1.00 0.00 WT3 H ATOM 41178 H2 TIP3 4086 32.777 67.790 -2.019 1.00 0.00 WT3 H ATOM 41179 OH2 TIP3 4087 50.725 79.912 34.048 1.00 0.00 WT3 O ATOM 41180 H1 TIP3 4087 51.037 79.191 33.500 1.00 0.00 WT3 H ATOM 41181 H2 TIP3 4087 49.924 79.577 34.452 1.00 0.00 WT3 H ATOM 41182 OH2 TIP3 4089 47.379 3.386 17.675 1.00 0.00 WT3 O ATOM 41183 H1 TIP3 4089 47.111 2.620 18.183 1.00 0.00 WT3 H ATOM 41184 H2 TIP3 4089 47.423 3.071 16.772 1.00 0.00 WT3 H ATOM 41185 OH2 TIP3 4091 88.932 66.573 34.798 1.00 0.00 WT3 O ATOM 41186 H1 TIP3 4091 88.951 67.289 34.163 1.00 0.00 WT3 H ATOM 41187 H2 TIP3 4091 89.585 65.951 34.478 1.00 0.00 WT3 H ATOM 41188 OH2 TIP3 4092 81.291 47.940 35.622 1.00 0.00 WT3 O ATOM 41189 H1 TIP3 4092 80.437 47.678 35.279 1.00 0.00 WT3 H ATOM 41190 H2 TIP3 4092 81.507 47.266 36.267 1.00 0.00 WT3 H ATOM 41191 OH2 TIP3 4093 39.404 89.728 51.374 1.00 0.00 WT3 O ATOM 41192 H1 TIP3 4093 39.982 89.217 50.807 1.00 0.00 WT3 H ATOM 41193 H2 TIP3 4093 38.888 90.263 50.770 1.00 0.00 WT3 H ATOM 41194 OH2 TIP3 4096 43.767 1.740 12.582 1.00 0.00 WT3 O ATOM 41195 H1 TIP3 4096 44.177 2.602 12.651 1.00 0.00 WT3 H ATOM 41196 H2 TIP3 4096 43.497 1.676 11.666 1.00 0.00 WT3 H ATOM 41197 OH2 TIP3 4097 30.917 7.608 -18.550 1.00 0.00 WT3 O ATOM 41198 H1 TIP3 4097 31.460 7.023 -19.078 1.00 0.00 WT3 H ATOM 41199 H2 TIP3 4097 30.551 7.046 -17.867 1.00 0.00 WT3 H ATOM 41200 OH2 TIP3 4098 42.772 70.928 54.056 1.00 0.00 WT3 O ATOM 41201 H1 TIP3 4098 42.974 71.271 53.185 1.00 0.00 WT3 H ATOM 41202 H2 TIP3 4098 42.666 69.986 53.924 1.00 0.00 WT3 H ATOM 41203 OH2 TIP3 4099 51.937 84.468 29.102 1.00 0.00 WT3 O ATOM 41204 H1 TIP3 4099 51.185 84.067 29.538 1.00 0.00 WT3 H ATOM 41205 H2 TIP3 4099 52.123 83.888 28.363 1.00 0.00 WT3 H ATOM 41206 OH2 TIP3 4101 52.089 66.395 58.244 1.00 0.00 WT3 O ATOM 41207 H1 TIP3 4101 51.895 66.972 57.505 1.00 0.00 WT3 H ATOM 41208 H2 TIP3 4101 52.706 65.753 57.892 1.00 0.00 WT3 H ATOM 41209 OH2 TIP3 4102 55.678 15.674 42.192 1.00 0.00 WT3 O ATOM 41210 H1 TIP3 4102 55.317 15.998 41.366 1.00 0.00 WT3 H ATOM 41211 H2 TIP3 4102 56.526 16.110 42.271 1.00 0.00 WT3 H ATOM 41212 OH2 TIP3 4103 25.460 80.808 47.989 1.00 0.00 WT3 O ATOM 41213 H1 TIP3 4103 24.924 81.072 48.737 1.00 0.00 WT3 H ATOM 41214 H2 TIP3 4103 25.925 81.605 47.734 1.00 0.00 WT3 H ATOM 41215 OH2 TIP3 4104 74.513 42.173 25.873 1.00 0.00 WT3 O ATOM 41216 H1 TIP3 4104 74.304 43.107 25.849 1.00 0.00 WT3 H ATOM 41217 H2 TIP3 4104 74.733 41.953 24.968 1.00 0.00 WT3 H ATOM 41218 OH2 TIP3 4105 59.059 94.365 51.397 1.00 0.00 WT3 O ATOM 41219 H1 TIP3 4105 59.657 93.773 50.941 1.00 0.00 WT3 H ATOM 41220 H2 TIP3 4105 58.692 94.916 50.706 1.00 0.00 WT3 H ATOM 41221 OH2 TIP3 4108 26.710 26.866 53.380 1.00 0.00 WT3 O ATOM 41222 H1 TIP3 4108 27.229 27.162 52.632 1.00 0.00 WT3 H ATOM 41223 H2 TIP3 4108 27.321 26.873 54.116 1.00 0.00 WT3 H ATOM 41224 OH2 TIP3 4109 59.109 19.069 -2.234 1.00 0.00 WT3 O ATOM 41225 H1 TIP3 4109 59.406 19.973 -2.339 1.00 0.00 WT3 H ATOM 41226 H2 TIP3 4109 59.494 18.603 -2.977 1.00 0.00 WT3 H ATOM 41227 OH2 TIP3 4110 62.397 13.487 26.826 1.00 0.00 WT3 O ATOM 41228 H1 TIP3 4110 62.680 14.355 27.113 1.00 0.00 WT3 H ATOM 41229 H2 TIP3 4110 62.869 13.338 26.007 1.00 0.00 WT3 H ATOM 41230 OH2 TIP3 4111 68.606 86.552 62.054 1.00 0.00 WT3 O ATOM 41231 H1 TIP3 4111 68.723 87.425 62.429 1.00 0.00 WT3 H ATOM 41232 H2 TIP3 4111 68.405 86.713 61.132 1.00 0.00 WT3 H ATOM 41233 OH2 TIP3 4112 76.445 81.048 55.122 1.00 0.00 WT3 O ATOM 41234 H1 TIP3 4112 76.322 80.426 54.405 1.00 0.00 WT3 H ATOM 41235 H2 TIP3 4112 76.918 80.552 55.791 1.00 0.00 WT3 H ATOM 41236 OH2 TIP3 4113 33.190 78.771 55.177 1.00 0.00 WT3 O ATOM 41237 H1 TIP3 4113 32.699 79.535 55.479 1.00 0.00 WT3 H ATOM 41238 H2 TIP3 4113 33.315 78.922 54.240 1.00 0.00 WT3 H ATOM 41239 OH2 TIP3 4114 54.690 1.592 14.071 1.00 0.00 WT3 O ATOM 41240 H1 TIP3 4114 55.474 1.336 13.584 1.00 0.00 WT3 H ATOM 41241 H2 TIP3 4114 54.903 2.451 14.435 1.00 0.00 WT3 H ATOM 41242 OH2 TIP3 4115 21.751 60.199 36.897 1.00 0.00 WT3 O ATOM 41243 H1 TIP3 4115 21.881 60.987 37.426 1.00 0.00 WT3 H ATOM 41244 H2 TIP3 4115 21.957 59.476 37.490 1.00 0.00 WT3 H ATOM 41245 OH2 TIP3 4116 55.893 29.391 3.481 1.00 0.00 WT3 O ATOM 41246 H1 TIP3 4116 56.719 29.239 3.021 1.00 0.00 WT3 H ATOM 41247 H2 TIP3 4116 55.849 30.341 3.586 1.00 0.00 WT3 H ATOM 41248 OH2 TIP3 4117 87.140 66.630 7.913 1.00 0.00 WT3 O ATOM 41249 H1 TIP3 4117 87.000 66.398 8.831 1.00 0.00 WT3 H ATOM 41250 H2 TIP3 4117 86.448 66.166 7.440 1.00 0.00 WT3 H ATOM 41251 OH2 TIP3 4118 68.444 62.460 23.522 1.00 0.00 WT3 O ATOM 41252 H1 TIP3 4118 67.599 62.891 23.400 1.00 0.00 WT3 H ATOM 41253 H2 TIP3 4118 68.831 62.438 22.647 1.00 0.00 WT3 H ATOM 41254 OH2 TIP3 4120 50.715 71.186 44.640 1.00 0.00 WT3 O ATOM 41255 H1 TIP3 4120 49.899 70.999 44.176 1.00 0.00 WT3 H ATOM 41256 H2 TIP3 4120 51.401 70.855 44.061 1.00 0.00 WT3 H ATOM 41257 OH2 TIP3 4121 54.358 57.611 58.401 1.00 0.00 WT3 O ATOM 41258 H1 TIP3 4121 54.315 57.771 57.458 1.00 0.00 WT3 H ATOM 41259 H2 TIP3 4121 53.454 57.699 58.701 1.00 0.00 WT3 H ATOM 41260 OH2 TIP3 4122 74.116 35.335 -18.036 1.00 0.00 WT3 O ATOM 41261 H1 TIP3 4122 73.431 35.970 -18.247 1.00 0.00 WT3 H ATOM 41262 H2 TIP3 4122 73.643 34.520 -17.865 1.00 0.00 WT3 H ATOM 41263 OH2 TIP3 4123 36.057 31.201 -1.027 1.00 0.00 WT3 O ATOM 41264 H1 TIP3 4123 36.159 31.532 -0.135 1.00 0.00 WT3 H ATOM 41265 H2 TIP3 4123 36.947 30.983 -1.305 1.00 0.00 WT3 H ATOM 41266 OH2 TIP3 4124 82.506 75.936 46.362 1.00 0.00 WT3 O ATOM 41267 H1 TIP3 4124 83.178 75.707 47.004 1.00 0.00 WT3 H ATOM 41268 H2 TIP3 4124 81.767 75.364 46.573 1.00 0.00 WT3 H ATOM 41269 OH2 TIP3 4127 45.760 74.596 31.704 1.00 0.00 WT3 O ATOM 41270 H1 TIP3 4127 46.022 74.927 32.562 1.00 0.00 WT3 H ATOM 41271 H2 TIP3 4127 46.272 73.795 31.589 1.00 0.00 WT3 H ATOM 41272 OH2 TIP3 4128 42.260 63.545 52.513 1.00 0.00 WT3 O ATOM 41273 H1 TIP3 4128 42.561 63.912 51.682 1.00 0.00 WT3 H ATOM 41274 H2 TIP3 4128 43.021 63.078 52.859 1.00 0.00 WT3 H ATOM 41275 OH2 TIP3 4129 33.842 95.896 22.775 1.00 0.00 WT3 O ATOM 41276 H1 TIP3 4129 34.014 95.752 21.845 1.00 0.00 WT3 H ATOM 41277 H2 TIP3 4129 33.140 95.282 22.988 1.00 0.00 WT3 H ATOM 41278 OH2 TIP3 4130 54.176 20.302 50.312 1.00 0.00 WT3 O ATOM 41279 H1 TIP3 4130 54.655 19.535 50.625 1.00 0.00 WT3 H ATOM 41280 H2 TIP3 4130 53.725 19.998 49.524 1.00 0.00 WT3 H ATOM 41281 OH2 TIP3 4131 81.605 76.230 5.123 1.00 0.00 WT3 O ATOM 41282 H1 TIP3 4131 81.615 75.758 4.290 1.00 0.00 WT3 H ATOM 41283 H2 TIP3 4131 82.519 76.230 5.409 1.00 0.00 WT3 H ATOM 41284 OH2 TIP3 4132 27.611 51.565 29.973 1.00 0.00 WT3 O ATOM 41285 H1 TIP3 4132 28.099 52.042 29.302 1.00 0.00 WT3 H ATOM 41286 H2 TIP3 4132 28.090 50.744 30.080 1.00 0.00 WT3 H ATOM 41287 OH2 TIP3 4134 65.168 80.353 15.341 1.00 0.00 WT3 O ATOM 41288 H1 TIP3 4134 65.044 79.574 14.799 1.00 0.00 WT3 H ATOM 41289 H2 TIP3 4134 64.310 80.510 15.736 1.00 0.00 WT3 H ATOM 41290 OH2 TIP3 4136 37.440 0.671 -11.737 1.00 0.00 WT3 O ATOM 41291 H1 TIP3 4136 38.319 0.758 -11.369 1.00 0.00 WT3 H ATOM 41292 H2 TIP3 4136 36.894 1.235 -11.188 1.00 0.00 WT3 H ATOM 41293 OH2 TIP3 4137 48.507 70.536 43.046 1.00 0.00 WT3 O ATOM 41294 H1 TIP3 4137 48.263 71.305 42.530 1.00 0.00 WT3 H ATOM 41295 H2 TIP3 4137 48.193 69.793 42.531 1.00 0.00 WT3 H ATOM 41296 OH2 TIP3 4138 25.943 62.639 65.002 1.00 0.00 WT3 O ATOM 41297 H1 TIP3 4138 26.483 63.134 65.618 1.00 0.00 WT3 H ATOM 41298 H2 TIP3 4138 26.122 63.040 64.151 1.00 0.00 WT3 H ATOM 41299 OH2 TIP3 4139 78.867 6.330 5.537 1.00 0.00 WT3 O ATOM 41300 H1 TIP3 4139 78.999 6.832 6.341 1.00 0.00 WT3 H ATOM 41301 H2 TIP3 4139 79.374 6.800 4.875 1.00 0.00 WT3 H ATOM 41302 OH2 TIP3 4141 36.895 51.281 -15.276 1.00 0.00 WT3 O ATOM 41303 H1 TIP3 4141 37.578 50.692 -15.594 1.00 0.00 WT3 H ATOM 41304 H2 TIP3 4141 37.351 51.882 -14.687 1.00 0.00 WT3 H ATOM 41305 OH2 TIP3 4142 45.632 84.016 13.352 1.00 0.00 WT3 O ATOM 41306 H1 TIP3 4142 45.693 84.925 13.061 1.00 0.00 WT3 H ATOM 41307 H2 TIP3 4142 44.756 83.736 13.086 1.00 0.00 WT3 H ATOM 41308 OH2 TIP3 4143 61.337 62.927 -3.706 1.00 0.00 WT3 O ATOM 41309 H1 TIP3 4143 60.547 63.379 -3.410 1.00 0.00 WT3 H ATOM 41310 H2 TIP3 4143 61.826 62.748 -2.903 1.00 0.00 WT3 H ATOM 41311 OH2 TIP3 4144 56.769 60.593 18.367 1.00 0.00 WT3 O ATOM 41312 H1 TIP3 4144 57.568 61.091 18.192 1.00 0.00 WT3 H ATOM 41313 H2 TIP3 4144 56.208 61.201 18.849 1.00 0.00 WT3 H ATOM 41314 OH2 TIP3 4145 31.709 93.803 28.305 1.00 0.00 WT3 O ATOM 41315 H1 TIP3 4145 32.407 94.121 28.877 1.00 0.00 WT3 H ATOM 41316 H2 TIP3 4145 32.151 93.588 27.484 1.00 0.00 WT3 H ATOM 41317 OH2 TIP3 4146 37.504 87.622 15.651 1.00 0.00 WT3 O ATOM 41318 H1 TIP3 4146 36.791 87.007 15.825 1.00 0.00 WT3 H ATOM 41319 H2 TIP3 4146 37.101 88.486 15.734 1.00 0.00 WT3 H ATOM 41320 OH2 TIP3 4151 89.028 83.226 38.151 1.00 0.00 WT3 O ATOM 41321 H1 TIP3 4151 88.682 82.337 38.226 1.00 0.00 WT3 H ATOM 41322 H2 TIP3 4151 88.754 83.517 37.281 1.00 0.00 WT3 H ATOM 41323 OH2 TIP3 4152 76.355 51.969 11.634 1.00 0.00 WT3 O ATOM 41324 H1 TIP3 4152 75.913 52.793 11.836 1.00 0.00 WT3 H ATOM 41325 H2 TIP3 4152 75.699 51.454 11.163 1.00 0.00 WT3 H ATOM 41326 OH2 TIP3 4154 73.318 86.144 25.811 1.00 0.00 WT3 O ATOM 41327 H1 TIP3 4154 72.597 85.577 25.537 1.00 0.00 WT3 H ATOM 41328 H2 TIP3 4154 73.465 86.723 25.063 1.00 0.00 WT3 H ATOM 41329 OH2 TIP3 4155 60.177 63.455 -17.470 1.00 0.00 WT3 O ATOM 41330 H1 TIP3 4155 59.418 63.062 -17.037 1.00 0.00 WT3 H ATOM 41331 H2 TIP3 4155 60.246 64.329 -17.087 1.00 0.00 WT3 H ATOM 41332 OH2 TIP3 4156 32.379 85.296 37.604 1.00 0.00 WT3 O ATOM 41333 H1 TIP3 4156 32.571 85.467 36.682 1.00 0.00 WT3 H ATOM 41334 H2 TIP3 4156 33.159 84.851 37.934 1.00 0.00 WT3 H ATOM 41335 OH2 TIP3 4157 67.686 33.442 -5.375 1.00 0.00 WT3 O ATOM 41336 H1 TIP3 4157 68.260 33.676 -6.104 1.00 0.00 WT3 H ATOM 41337 H2 TIP3 4157 67.683 34.217 -4.813 1.00 0.00 WT3 H ATOM 41338 OH2 TIP3 4160 22.118 8.082 63.584 1.00 0.00 WT3 O ATOM 41339 H1 TIP3 4160 21.806 8.560 62.816 1.00 0.00 WT3 H ATOM 41340 H2 TIP3 4160 22.824 8.625 63.935 1.00 0.00 WT3 H ATOM 41341 OH2 TIP3 4161 85.752 57.477 46.857 1.00 0.00 WT3 O ATOM 41342 H1 TIP3 4161 85.887 57.823 47.739 1.00 0.00 WT3 H ATOM 41343 H2 TIP3 4161 86.099 56.586 46.892 1.00 0.00 WT3 H ATOM 41344 OH2 TIP3 4162 21.278 5.925 6.872 1.00 0.00 WT3 O ATOM 41345 H1 TIP3 4162 20.669 5.188 6.903 1.00 0.00 WT3 H ATOM 41346 H2 TIP3 4162 22.138 5.533 7.022 1.00 0.00 WT3 H ATOM 41347 OH2 TIP3 4163 79.990 1.315 55.889 1.00 0.00 WT3 O ATOM 41348 H1 TIP3 4163 79.933 1.316 56.844 1.00 0.00 WT3 H ATOM 41349 H2 TIP3 4163 80.713 0.720 55.692 1.00 0.00 WT3 H ATOM 41350 OH2 TIP3 4164 85.014 71.745 -1.178 1.00 0.00 WT3 O ATOM 41351 H1 TIP3 4164 85.594 71.044 -1.477 1.00 0.00 WT3 H ATOM 41352 H2 TIP3 4164 84.237 71.290 -0.852 1.00 0.00 WT3 H ATOM 41353 OH2 TIP3 4165 68.227 15.570 62.525 1.00 0.00 WT3 O ATOM 41354 H1 TIP3 4165 67.571 15.820 61.874 1.00 0.00 WT3 H ATOM 41355 H2 TIP3 4165 68.520 14.702 62.249 1.00 0.00 WT3 H ATOM 41356 OH2 TIP3 4166 87.493 19.251 -5.946 1.00 0.00 WT3 O ATOM 41357 H1 TIP3 4166 87.966 18.872 -5.205 1.00 0.00 WT3 H ATOM 41358 H2 TIP3 4166 86.632 19.474 -5.592 1.00 0.00 WT3 H ATOM 41359 OH2 TIP3 4173 87.005 69.784 45.682 1.00 0.00 WT3 O ATOM 41360 H1 TIP3 4173 86.115 70.052 45.453 1.00 0.00 WT3 H ATOM 41361 H2 TIP3 4173 87.240 69.138 45.016 1.00 0.00 WT3 H ATOM 41362 OH2 TIP3 4174 83.631 29.949 6.449 1.00 0.00 WT3 O ATOM 41363 H1 TIP3 4174 83.472 30.520 5.698 1.00 0.00 WT3 H ATOM 41364 H2 TIP3 4174 83.395 30.480 7.209 1.00 0.00 WT3 H ATOM 41365 OH2 TIP3 4175 70.389 58.187 2.163 1.00 0.00 WT3 O ATOM 41366 H1 TIP3 4175 70.737 58.732 2.869 1.00 0.00 WT3 H ATOM 41367 H2 TIP3 4175 69.727 57.641 2.586 1.00 0.00 WT3 H ATOM 41368 OH2 TIP3 4176 51.837 28.358 33.452 1.00 0.00 WT3 O ATOM 41369 H1 TIP3 4176 52.122 29.261 33.310 1.00 0.00 WT3 H ATOM 41370 H2 TIP3 4176 52.499 27.825 33.011 1.00 0.00 WT3 H ATOM 41371 OH2 TIP3 4177 38.559 1.922 0.176 1.00 0.00 WT3 O ATOM 41372 H1 TIP3 4177 38.190 1.931 1.059 1.00 0.00 WT3 H ATOM 41373 H2 TIP3 4177 38.958 1.056 0.091 1.00 0.00 WT3 H ATOM 41374 OH2 TIP3 4179 52.860 19.185 3.649 1.00 0.00 WT3 O ATOM 41375 H1 TIP3 4179 52.524 18.503 4.231 1.00 0.00 WT3 H ATOM 41376 H2 TIP3 4179 52.507 18.960 2.788 1.00 0.00 WT3 H ATOM 41377 OH2 TIP3 4184 48.542 75.052 28.123 1.00 0.00 WT3 O ATOM 41378 H1 TIP3 4184 48.348 75.087 27.186 1.00 0.00 WT3 H ATOM 41379 H2 TIP3 4184 48.810 74.146 28.278 1.00 0.00 WT3 H ATOM 41380 OH2 TIP3 4185 74.778 96.070 31.518 1.00 0.00 WT3 O ATOM 41381 H1 TIP3 4185 74.582 95.790 30.624 1.00 0.00 WT3 H ATOM 41382 H2 TIP3 4185 74.026 95.778 32.031 1.00 0.00 WT3 H ATOM 41383 OH2 TIP3 4186 51.383 71.941 29.335 1.00 0.00 WT3 O ATOM 41384 H1 TIP3 4186 51.398 70.986 29.409 1.00 0.00 WT3 H ATOM 41385 H2 TIP3 4186 51.094 72.107 28.438 1.00 0.00 WT3 H ATOM 41386 OH2 TIP3 4191 65.891 82.814 56.392 1.00 0.00 WT3 O ATOM 41387 H1 TIP3 4191 66.030 82.690 57.331 1.00 0.00 WT3 H ATOM 41388 H2 TIP3 4191 65.267 82.129 56.150 1.00 0.00 WT3 H ATOM 41389 OH2 TIP3 4196 39.583 54.171 29.111 1.00 0.00 WT3 O ATOM 41390 H1 TIP3 4196 40.511 53.938 29.111 1.00 0.00 WT3 H ATOM 41391 H2 TIP3 4196 39.563 55.076 28.801 1.00 0.00 WT3 H ATOM 41392 OH2 TIP3 4197 49.016 16.000 46.215 1.00 0.00 WT3 O ATOM 41393 H1 TIP3 4197 49.654 16.698 46.361 1.00 0.00 WT3 H ATOM 41394 H2 TIP3 4197 49.422 15.436 45.556 1.00 0.00 WT3 H ATOM 41395 OH2 TIP3 4201 56.868 11.771 33.185 1.00 0.00 WT3 O ATOM 41396 H1 TIP3 4201 56.324 12.343 33.726 1.00 0.00 WT3 H ATOM 41397 H2 TIP3 4201 56.485 10.901 33.295 1.00 0.00 WT3 H ATOM 41398 OH2 TIP3 4202 54.507 50.483 53.301 1.00 0.00 WT3 O ATOM 41399 H1 TIP3 4202 54.581 51.423 53.467 1.00 0.00 WT3 H ATOM 41400 H2 TIP3 4202 53.972 50.420 52.510 1.00 0.00 WT3 H ATOM 41401 OH2 TIP3 4203 52.614 82.112 -3.889 1.00 0.00 WT3 O ATOM 41402 H1 TIP3 4203 52.912 81.900 -4.773 1.00 0.00 WT3 H ATOM 41403 H2 TIP3 4203 53.356 82.562 -3.486 1.00 0.00 WT3 H ATOM 41404 OH2 TIP3 4204 57.378 3.842 36.193 1.00 0.00 WT3 O ATOM 41405 H1 TIP3 4204 57.450 3.029 35.691 1.00 0.00 WT3 H ATOM 41406 H2 TIP3 4204 57.825 3.654 37.018 1.00 0.00 WT3 H ATOM 41407 OH2 TIP3 4216 72.544 54.929 65.450 1.00 0.00 WT3 O ATOM 41408 H1 TIP3 4216 71.614 55.099 65.602 1.00 0.00 WT3 H ATOM 41409 H2 TIP3 4216 72.820 54.415 66.208 1.00 0.00 WT3 H ATOM 41410 OH2 TIP3 4221 80.561 56.833 2.358 1.00 0.00 WT3 O ATOM 41411 H1 TIP3 4221 79.650 57.107 2.253 1.00 0.00 WT3 H ATOM 41412 H2 TIP3 4221 80.530 55.877 2.327 1.00 0.00 WT3 H ATOM 41413 OH2 TIP3 4223 66.014 1.462 23.710 1.00 0.00 WT3 O ATOM 41414 H1 TIP3 4223 66.536 1.075 24.413 1.00 0.00 WT3 H ATOM 41415 H2 TIP3 4223 65.884 0.747 23.087 1.00 0.00 WT3 H ATOM 41416 OH2 TIP3 4230 85.549 82.558 22.042 1.00 0.00 WT3 O ATOM 41417 H1 TIP3 4230 85.434 82.114 22.882 1.00 0.00 WT3 H ATOM 41418 H2 TIP3 4230 86.297 83.139 22.178 1.00 0.00 WT3 H ATOM 41419 OH2 TIP3 4237 67.366 47.565 65.034 1.00 0.00 WT3 O ATOM 41420 H1 TIP3 4237 67.364 48.266 64.383 1.00 0.00 WT3 H ATOM 41421 H2 TIP3 4237 67.056 47.984 65.838 1.00 0.00 WT3 H ATOM 41422 OH2 TIP3 4239 32.788 77.289 8.475 1.00 0.00 WT3 O ATOM 41423 H1 TIP3 4239 32.556 77.566 9.361 1.00 0.00 WT3 H ATOM 41424 H2 TIP3 4239 33.681 76.952 8.555 1.00 0.00 WT3 H ATOM 41425 OH2 TIP3 4240 54.921 9.533 39.117 1.00 0.00 WT3 O ATOM 41426 H1 TIP3 4240 54.866 8.578 39.102 1.00 0.00 WT3 H ATOM 41427 H2 TIP3 4240 55.826 9.719 39.366 1.00 0.00 WT3 H ATOM 41428 OH2 TIP3 4243 21.436 12.166 3.504 1.00 0.00 WT3 O ATOM 41429 H1 TIP3 4243 21.986 12.878 3.178 1.00 0.00 WT3 H ATOM 41430 H2 TIP3 4243 20.811 12.595 4.089 1.00 0.00 WT3 H ATOM 41431 OH2 TIP3 4278 49.058 23.702 -14.204 1.00 0.00 WT3 O ATOM 41432 H1 TIP3 4278 49.607 23.002 -13.852 1.00 0.00 WT3 H ATOM 41433 H2 TIP3 4278 49.665 24.424 -14.366 1.00 0.00 WT3 H ATOM 41434 OH2 TIP3 4319 64.541 91.900 35.788 1.00 0.00 WT3 O ATOM 41435 H1 TIP3 4319 64.824 92.814 35.805 1.00 0.00 WT3 H ATOM 41436 H2 TIP3 4319 63.599 91.943 35.623 1.00 0.00 WT3 H ATOM 41437 OH2 TIP3 4323 84.241 34.224 -10.404 1.00 0.00 WT3 O ATOM 41438 H1 TIP3 4323 83.488 34.744 -10.685 1.00 0.00 WT3 H ATOM 41439 H2 TIP3 4323 83.860 33.502 -9.905 1.00 0.00 WT3 H ATOM 41440 OH2 TIP3 4356 79.921 41.163 3.211 1.00 0.00 WT3 O ATOM 41441 H1 TIP3 4356 80.765 40.722 3.114 1.00 0.00 WT3 H ATOM 41442 H2 TIP3 4356 79.452 40.642 3.863 1.00 0.00 WT3 H ATOM 41443 OH2 TIP3 4374 84.912 96.127 9.869 1.00 0.00 WT3 O ATOM 41444 H1 TIP3 4374 85.117 95.231 9.601 1.00 0.00 WT3 H ATOM 41445 H2 TIP3 4374 84.377 96.475 9.155 1.00 0.00 WT3 H ATOM 41446 OH2 TIP3 4382 86.539 92.391 32.417 1.00 0.00 WT3 O ATOM 41447 H1 TIP3 4382 87.208 92.319 31.736 1.00 0.00 WT3 H ATOM 41448 H2 TIP3 4382 87.032 92.414 33.237 1.00 0.00 WT3 H ATOM 41449 OH2 TIP3 4394 55.639 95.821 8.125 1.00 0.00 WT3 O ATOM 41450 H1 TIP3 4394 55.539 95.917 9.072 1.00 0.00 WT3 H ATOM 41451 H2 TIP3 4394 56.574 95.953 7.968 1.00 0.00 WT3 H ATOM 41452 OH2 TIP3 4401 89.968 86.870 65.736 1.00 0.00 WT3 O ATOM 41453 H1 TIP3 4401 89.605 87.724 65.971 1.00 0.00 WT3 H ATOM 41454 H2 TIP3 4401 89.212 86.358 65.450 1.00 0.00 WT3 H ATOM 41455 OH2 TIP3 4404 26.233 57.825 -19.170 1.00 0.00 WT3 O ATOM 41456 H1 TIP3 4404 25.588 58.234 -18.593 1.00 0.00 WT3 H ATOM 41457 H2 TIP3 4404 25.801 57.032 -19.489 1.00 0.00 WT3 H ATOM 41458 OH2 TIP3 4407 29.335 12.780 31.818 1.00 0.00 WT3 O ATOM 41459 H1 TIP3 4407 30.088 12.743 31.228 1.00 0.00 WT3 H ATOM 41460 H2 TIP3 4407 29.080 11.865 31.939 1.00 0.00 WT3 H ATOM 41461 OH2 TIP3 4409 78.948 31.334 56.591 1.00 0.00 WT3 O ATOM 41462 H1 TIP3 4409 78.569 30.538 56.221 1.00 0.00 WT3 H ATOM 41463 H2 TIP3 4409 78.422 32.044 56.224 1.00 0.00 WT3 H ATOM 41464 OH2 TIP3 4412 27.402 83.637 32.853 1.00 0.00 WT3 O ATOM 41465 H1 TIP3 4412 26.698 83.001 32.729 1.00 0.00 WT3 H ATOM 41466 H2 TIP3 4412 28.167 83.108 33.078 1.00 0.00 WT3 H ATOM 41467 OH2 TIP3 4414 51.426 69.104 3.971 1.00 0.00 WT3 O ATOM 41468 H1 TIP3 4414 51.280 69.198 4.913 1.00 0.00 WT3 H ATOM 41469 H2 TIP3 4414 51.581 68.168 3.844 1.00 0.00 WT3 H ATOM 41470 OH2 TIP3 4415 63.561 25.908 1.624 1.00 0.00 WT3 O ATOM 41471 H1 TIP3 4415 63.673 26.802 1.948 1.00 0.00 WT3 H ATOM 41472 H2 TIP3 4415 64.439 25.527 1.664 1.00 0.00 WT3 H ATOM 41473 OH2 TIP3 4417 53.010 45.720 33.531 1.00 0.00 WT3 O ATOM 41474 H1 TIP3 4417 52.537 44.892 33.448 1.00 0.00 WT3 H ATOM 41475 H2 TIP3 4417 53.318 45.910 32.644 1.00 0.00 WT3 H ATOM 41476 OH2 TIP3 4419 43.582 4.241 41.140 1.00 0.00 WT3 O ATOM 41477 H1 TIP3 4419 44.473 3.949 40.944 1.00 0.00 WT3 H ATOM 41478 H2 TIP3 4419 43.654 5.191 41.224 1.00 0.00 WT3 H ATOM 41479 OH2 TIP3 4427 38.760 72.669 6.345 1.00 0.00 WT3 O ATOM 41480 H1 TIP3 4427 39.481 72.071 6.539 1.00 0.00 WT3 H ATOM 41481 H2 TIP3 4427 38.517 73.037 7.194 1.00 0.00 WT3 H ATOM 41482 OH2 TIP3 4432 87.115 64.918 31.925 1.00 0.00 WT3 O ATOM 41483 H1 TIP3 4432 86.957 64.481 32.761 1.00 0.00 WT3 H ATOM 41484 H2 TIP3 4432 86.445 65.599 31.879 1.00 0.00 WT3 H ATOM 41485 OH2 TIP3 4433 43.901 86.673 60.120 1.00 0.00 WT3 O ATOM 41486 H1 TIP3 4433 43.926 85.838 60.589 1.00 0.00 WT3 H ATOM 41487 H2 TIP3 4433 43.552 87.296 60.757 1.00 0.00 WT3 H ATOM 41488 OH2 TIP3 4434 35.452 39.691 10.136 1.00 0.00 WT3 O ATOM 41489 H1 TIP3 4434 35.499 39.927 11.063 1.00 0.00 WT3 H ATOM 41490 H2 TIP3 4434 36.106 40.247 9.714 1.00 0.00 WT3 H ATOM 41491 OH2 TIP3 4436 82.798 18.246 44.009 1.00 0.00 WT3 O ATOM 41492 H1 TIP3 4436 83.223 18.768 44.689 1.00 0.00 WT3 H ATOM 41493 H2 TIP3 4436 82.423 18.891 43.410 1.00 0.00 WT3 H ATOM 41494 OH2 TIP3 4437 72.911 76.922 52.576 1.00 0.00 WT3 O ATOM 41495 H1 TIP3 4437 73.160 77.173 51.686 1.00 0.00 WT3 H ATOM 41496 H2 TIP3 4437 72.362 77.643 52.884 1.00 0.00 WT3 H ATOM 41497 OH2 TIP3 4438 54.896 47.839 -10.354 1.00 0.00 WT3 O ATOM 41498 H1 TIP3 4438 55.132 47.065 -9.842 1.00 0.00 WT3 H ATOM 41499 H2 TIP3 4438 54.603 48.477 -9.703 1.00 0.00 WT3 H ATOM 41500 OH2 TIP3 4446 28.666 71.565 38.293 1.00 0.00 WT3 O ATOM 41501 H1 TIP3 4446 28.345 70.664 38.264 1.00 0.00 WT3 H ATOM 41502 H2 TIP3 4446 29.565 71.490 38.614 1.00 0.00 WT3 H ATOM 41503 OH2 TIP3 4449 53.469 93.186 20.042 1.00 0.00 WT3 O ATOM 41504 H1 TIP3 4449 53.071 94.041 19.878 1.00 0.00 WT3 H ATOM 41505 H2 TIP3 4449 52.736 92.627 20.301 1.00 0.00 WT3 H ATOM 41506 OH2 TIP3 4451 33.240 69.969 63.894 1.00 0.00 WT3 O ATOM 41507 H1 TIP3 4451 33.244 69.309 64.587 1.00 0.00 WT3 H ATOM 41508 H2 TIP3 4451 33.916 70.595 64.153 1.00 0.00 WT3 H ATOM 41509 OH2 TIP3 4453 56.485 81.559 41.616 1.00 0.00 WT3 O ATOM 41510 H1 TIP3 4453 56.344 81.357 40.691 1.00 0.00 WT3 H ATOM 41511 H2 TIP3 4453 56.843 80.753 41.986 1.00 0.00 WT3 H ATOM 41512 OH2 TIP3 4455 65.333 47.568 -3.042 1.00 0.00 WT3 O ATOM 41513 H1 TIP3 4455 64.859 47.140 -2.329 1.00 0.00 WT3 H ATOM 41514 H2 TIP3 4455 65.122 48.497 -2.946 1.00 0.00 WT3 H ATOM 41515 OH2 TIP3 4457 28.402 50.930 56.308 1.00 0.00 WT3 O ATOM 41516 H1 TIP3 4457 28.677 50.418 57.069 1.00 0.00 WT3 H ATOM 41517 H2 TIP3 4457 27.610 51.383 56.597 1.00 0.00 WT3 H ATOM 41518 OH2 TIP3 4460 21.418 1.377 3.979 1.00 0.00 WT3 O ATOM 41519 H1 TIP3 4460 20.844 2.134 4.095 1.00 0.00 WT3 H ATOM 41520 H2 TIP3 4460 20.891 0.631 4.266 1.00 0.00 WT3 H ATOM 41521 OH2 TIP3 4464 81.381 74.403 19.006 1.00 0.00 WT3 O ATOM 41522 H1 TIP3 4464 80.489 74.288 18.678 1.00 0.00 WT3 H ATOM 41523 H2 TIP3 4464 81.276 74.900 19.817 1.00 0.00 WT3 H ATOM 41524 OH2 TIP3 4467 28.719 84.204 26.057 1.00 0.00 WT3 O ATOM 41525 H1 TIP3 4467 29.320 84.764 25.565 1.00 0.00 WT3 H ATOM 41526 H2 TIP3 4467 28.435 84.747 26.793 1.00 0.00 WT3 H ATOM 41527 OH2 TIP3 4468 37.624 69.629 2.474 1.00 0.00 WT3 O ATOM 41528 H1 TIP3 4468 37.049 69.702 3.236 1.00 0.00 WT3 H ATOM 41529 H2 TIP3 4468 37.429 68.767 2.107 1.00 0.00 WT3 H ATOM 41530 OH2 TIP3 4470 29.791 84.433 37.951 1.00 0.00 WT3 O ATOM 41531 H1 TIP3 4470 29.895 83.483 37.909 1.00 0.00 WT3 H ATOM 41532 H2 TIP3 4470 30.642 84.780 37.682 1.00 0.00 WT3 H ATOM 41533 OH2 TIP3 4472 83.056 37.680 42.651 1.00 0.00 WT3 O ATOM 41534 H1 TIP3 4472 83.601 37.403 43.388 1.00 0.00 WT3 H ATOM 41535 H2 TIP3 4472 82.958 38.625 42.768 1.00 0.00 WT3 H ATOM 41536 OH2 TIP3 4473 58.341 47.438 -1.618 1.00 0.00 WT3 O ATOM 41537 H1 TIP3 4473 59.191 47.489 -1.181 1.00 0.00 WT3 H ATOM 41538 H2 TIP3 4473 57.779 48.034 -1.122 1.00 0.00 WT3 H ATOM 41539 OH2 TIP3 4475 49.691 51.920 52.389 1.00 0.00 WT3 O ATOM 41540 H1 TIP3 4475 49.921 52.682 52.920 1.00 0.00 WT3 H ATOM 41541 H2 TIP3 4475 49.459 52.284 51.534 1.00 0.00 WT3 H ATOM 41542 OH2 TIP3 4476 21.192 52.487 -9.250 1.00 0.00 WT3 O ATOM 41543 H1 TIP3 4476 21.572 51.611 -9.186 1.00 0.00 WT3 H ATOM 41544 H2 TIP3 4476 20.263 52.361 -9.056 1.00 0.00 WT3 H ATOM 41545 OH2 TIP3 4477 46.784 29.281 54.649 1.00 0.00 WT3 O ATOM 41546 H1 TIP3 4477 46.946 30.182 54.370 1.00 0.00 WT3 H ATOM 41547 H2 TIP3 4477 46.354 29.367 55.500 1.00 0.00 WT3 H ATOM 41548 OH2 TIP3 4478 68.528 33.573 2.722 1.00 0.00 WT3 O ATOM 41549 H1 TIP3 4478 68.641 34.513 2.579 1.00 0.00 WT3 H ATOM 41550 H2 TIP3 4478 68.451 33.482 3.672 1.00 0.00 WT3 H ATOM 41551 OH2 TIP3 4479 75.573 15.668 47.347 1.00 0.00 WT3 O ATOM 41552 H1 TIP3 4479 75.136 14.947 46.893 1.00 0.00 WT3 H ATOM 41553 H2 TIP3 4479 76.454 15.687 46.974 1.00 0.00 WT3 H ATOM 41554 OH2 TIP3 4480 28.150 31.611 -1.439 1.00 0.00 WT3 O ATOM 41555 H1 TIP3 4480 28.913 31.943 -1.912 1.00 0.00 WT3 H ATOM 41556 H2 TIP3 4480 27.416 32.125 -1.775 1.00 0.00 WT3 H ATOM 41557 OH2 TIP3 4483 89.025 29.880 -13.455 1.00 0.00 WT3 O ATOM 41558 H1 TIP3 4483 88.345 30.257 -14.014 1.00 0.00 WT3 H ATOM 41559 H2 TIP3 4483 89.785 29.791 -14.030 1.00 0.00 WT3 H ATOM 41560 OH2 TIP3 4484 40.365 12.169 6.813 1.00 0.00 WT3 O ATOM 41561 H1 TIP3 4484 39.944 12.854 6.293 1.00 0.00 WT3 H ATOM 41562 H2 TIP3 4484 39.693 11.494 6.910 1.00 0.00 WT3 H ATOM 41563 OH2 TIP3 4485 42.709 32.563 9.852 1.00 0.00 WT3 O ATOM 41564 H1 TIP3 4485 42.446 33.370 10.296 1.00 0.00 WT3 H ATOM 41565 H2 TIP3 4485 43.228 32.090 10.503 1.00 0.00 WT3 H ATOM 41566 OH2 TIP3 4489 67.140 61.501 64.340 1.00 0.00 WT3 O ATOM 41567 H1 TIP3 4489 67.580 62.199 64.824 1.00 0.00 WT3 H ATOM 41568 H2 TIP3 4489 66.456 61.948 63.842 1.00 0.00 WT3 H ATOM 41569 OH2 TIP3 4493 73.992 76.874 66.342 1.00 0.00 WT3 O ATOM 41570 H1 TIP3 4493 74.648 76.645 65.684 1.00 0.00 WT3 H ATOM 41571 H2 TIP3 4493 73.179 76.490 66.015 1.00 0.00 WT3 H ATOM 41572 OH2 TIP3 4494 69.729 0.683 30.517 1.00 0.00 WT3 O ATOM 41573 H1 TIP3 4494 70.440 0.913 29.918 1.00 0.00 WT3 H ATOM 41574 H2 TIP3 4494 69.923 -0.214 30.787 1.00 0.00 WT3 H ATOM 41575 OH2 TIP3 4495 41.012 14.538 32.230 1.00 0.00 WT3 O ATOM 41576 H1 TIP3 4495 41.722 13.971 32.530 1.00 0.00 WT3 H ATOM 41577 H2 TIP3 4495 40.865 15.143 32.958 1.00 0.00 WT3 H ATOM 41578 OH2 TIP3 4496 26.134 35.524 51.350 1.00 0.00 WT3 O ATOM 41579 H1 TIP3 4496 26.952 35.630 50.865 1.00 0.00 WT3 H ATOM 41580 H2 TIP3 4496 26.052 36.329 51.861 1.00 0.00 WT3 H ATOM 41581 OH2 TIP3 4498 71.297 81.349 40.563 1.00 0.00 WT3 O ATOM 41582 H1 TIP3 4498 71.722 81.735 41.330 1.00 0.00 WT3 H ATOM 41583 H2 TIP3 4498 71.159 80.432 40.802 1.00 0.00 WT3 H ATOM 41584 OH2 TIP3 4499 22.571 87.280 44.976 1.00 0.00 WT3 O ATOM 41585 H1 TIP3 4499 22.008 86.792 45.576 1.00 0.00 WT3 H ATOM 41586 H2 TIP3 4499 23.387 86.781 44.953 1.00 0.00 WT3 H ATOM 41587 OH2 TIP3 4500 27.893 86.058 14.397 1.00 0.00 WT3 O ATOM 41588 H1 TIP3 4500 28.840 86.080 14.540 1.00 0.00 WT3 H ATOM 41589 H2 TIP3 4500 27.785 86.281 13.472 1.00 0.00 WT3 H ATOM 41590 OH2 TIP3 4501 76.220 22.979 10.327 1.00 0.00 WT3 O ATOM 41591 H1 TIP3 4501 76.996 22.431 10.210 1.00 0.00 WT3 H ATOM 41592 H2 TIP3 4501 75.724 22.869 9.516 1.00 0.00 WT3 H ATOM 41593 OH2 TIP3 4503 34.234 71.525 -2.473 1.00 0.00 WT3 O ATOM 41594 H1 TIP3 4503 34.894 71.462 -3.164 1.00 0.00 WT3 H ATOM 41595 H2 TIP3 4503 34.348 72.404 -2.112 1.00 0.00 WT3 H ATOM 41596 OH2 TIP3 4506 66.386 31.853 13.985 1.00 0.00 WT3 O ATOM 41597 H1 TIP3 4506 66.165 31.540 13.108 1.00 0.00 WT3 H ATOM 41598 H2 TIP3 4506 65.586 32.276 14.298 1.00 0.00 WT3 H ATOM 41599 OH2 TIP3 4508 48.390 79.364 47.811 1.00 0.00 WT3 O ATOM 41600 H1 TIP3 4508 48.251 78.527 47.368 1.00 0.00 WT3 H ATOM 41601 H2 TIP3 4508 47.509 79.676 48.017 1.00 0.00 WT3 H ATOM 41602 OH2 TIP3 4510 23.995 68.758 24.986 1.00 0.00 WT3 O ATOM 41603 H1 TIP3 4510 24.764 68.563 24.451 1.00 0.00 WT3 H ATOM 41604 H2 TIP3 4510 23.265 68.360 24.512 1.00 0.00 WT3 H ATOM 41605 OH2 TIP3 4511 35.374 2.124 15.250 1.00 0.00 WT3 O ATOM 41606 H1 TIP3 4511 35.235 2.243 16.190 1.00 0.00 WT3 H ATOM 41607 H2 TIP3 4511 35.164 2.975 14.867 1.00 0.00 WT3 H ATOM 41608 OH2 TIP3 4513 67.595 62.651 59.329 1.00 0.00 WT3 O ATOM 41609 H1 TIP3 4513 66.760 63.042 59.072 1.00 0.00 WT3 H ATOM 41610 H2 TIP3 4513 68.256 63.268 59.013 1.00 0.00 WT3 H ATOM 41611 OH2 TIP3 4515 85.419 79.047 60.038 1.00 0.00 WT3 O ATOM 41612 H1 TIP3 4515 85.324 78.095 60.082 1.00 0.00 WT3 H ATOM 41613 H2 TIP3 4515 84.550 79.385 60.256 1.00 0.00 WT3 H ATOM 41614 OH2 TIP3 4516 46.178 83.086 65.328 1.00 0.00 WT3 O ATOM 41615 H1 TIP3 4516 46.942 82.580 65.604 1.00 0.00 WT3 H ATOM 41616 H2 TIP3 4516 46.248 83.123 64.374 1.00 0.00 WT3 H ATOM 41617 OH2 TIP3 4517 75.425 77.252 16.276 1.00 0.00 WT3 O ATOM 41618 H1 TIP3 4517 75.556 78.067 16.761 1.00 0.00 WT3 H ATOM 41619 H2 TIP3 4517 75.781 76.572 16.849 1.00 0.00 WT3 H ATOM 41620 OH2 TIP3 4518 53.734 17.554 -13.431 1.00 0.00 WT3 O ATOM 41621 H1 TIP3 4518 54.514 17.527 -12.877 1.00 0.00 WT3 H ATOM 41622 H2 TIP3 4518 53.855 16.836 -14.052 1.00 0.00 WT3 H ATOM 41623 OH2 TIP3 4519 81.039 26.797 45.311 1.00 0.00 WT3 O ATOM 41624 H1 TIP3 4519 81.362 26.286 44.568 1.00 0.00 WT3 H ATOM 41625 H2 TIP3 4519 80.714 27.608 44.920 1.00 0.00 WT3 H ATOM 41626 OH2 TIP3 4520 60.619 85.411 5.409 1.00 0.00 WT3 O ATOM 41627 H1 TIP3 4520 60.098 84.661 5.122 1.00 0.00 WT3 H ATOM 41628 H2 TIP3 4520 60.611 85.357 6.365 1.00 0.00 WT3 H ATOM 41629 OH2 TIP3 4523 79.402 49.866 15.062 1.00 0.00 WT3 O ATOM 41630 H1 TIP3 4523 78.815 49.749 15.809 1.00 0.00 WT3 H ATOM 41631 H2 TIP3 4523 79.020 50.593 14.569 1.00 0.00 WT3 H ATOM 41632 OH2 TIP3 4524 64.699 46.667 51.116 1.00 0.00 WT3 O ATOM 41633 H1 TIP3 4524 64.089 46.558 51.846 1.00 0.00 WT3 H ATOM 41634 H2 TIP3 4524 64.276 47.308 50.544 1.00 0.00 WT3 H ATOM 41635 OH2 TIP3 4526 77.908 70.952 46.197 1.00 0.00 WT3 O ATOM 41636 H1 TIP3 4526 78.776 71.113 46.567 1.00 0.00 WT3 H ATOM 41637 H2 TIP3 4526 78.021 71.081 45.255 1.00 0.00 WT3 H ATOM 41638 OH2 TIP3 4528 63.157 59.721 -8.373 1.00 0.00 WT3 O ATOM 41639 H1 TIP3 4528 63.201 59.398 -9.273 1.00 0.00 WT3 H ATOM 41640 H2 TIP3 4528 62.229 59.668 -8.144 1.00 0.00 WT3 H ATOM 41641 OH2 TIP3 4530 71.368 61.439 13.538 1.00 0.00 WT3 O ATOM 41642 H1 TIP3 4530 71.053 60.650 13.098 1.00 0.00 WT3 H ATOM 41643 H2 TIP3 4530 70.637 62.053 13.482 1.00 0.00 WT3 H ATOM 41644 OH2 TIP3 4532 73.554 65.672 12.265 1.00 0.00 WT3 O ATOM 41645 H1 TIP3 4532 73.001 66.453 12.275 1.00 0.00 WT3 H ATOM 41646 H2 TIP3 4532 73.179 65.120 11.579 1.00 0.00 WT3 H ATOM 41647 OH2 TIP3 4533 51.454 69.861 24.819 1.00 0.00 WT3 O ATOM 41648 H1 TIP3 4533 51.345 69.383 23.997 1.00 0.00 WT3 H ATOM 41649 H2 TIP3 4533 52.385 70.081 24.848 1.00 0.00 WT3 H ATOM 41650 OH2 TIP3 4534 88.980 68.232 56.635 1.00 0.00 WT3 O ATOM 41651 H1 TIP3 4534 88.383 67.809 57.252 1.00 0.00 WT3 H ATOM 41652 H2 TIP3 4534 88.423 68.497 55.903 1.00 0.00 WT3 H ATOM 41653 OH2 TIP3 4535 66.074 18.676 -7.909 1.00 0.00 WT3 O ATOM 41654 H1 TIP3 4535 66.590 19.097 -7.221 1.00 0.00 WT3 H ATOM 41655 H2 TIP3 4535 66.723 18.251 -8.470 1.00 0.00 WT3 H ATOM 41656 OH2 TIP3 4536 51.514 70.508 0.976 1.00 0.00 WT3 O ATOM 41657 H1 TIP3 4536 51.034 69.801 1.408 1.00 0.00 WT3 H ATOM 41658 H2 TIP3 4536 52.424 70.211 0.969 1.00 0.00 WT3 H ATOM 41659 OH2 TIP3 4537 69.618 72.628 9.883 1.00 0.00 WT3 O ATOM 41660 H1 TIP3 4537 69.413 71.884 9.317 1.00 0.00 WT3 H ATOM 41661 H2 TIP3 4537 68.827 73.167 9.866 1.00 0.00 WT3 H ATOM 41662 OH2 TIP3 4538 29.203 18.268 -13.986 1.00 0.00 WT3 O ATOM 41663 H1 TIP3 4538 29.162 17.776 -13.166 1.00 0.00 WT3 H ATOM 41664 H2 TIP3 4538 29.955 17.900 -14.450 1.00 0.00 WT3 H ATOM 41665 OH2 TIP3 4539 62.573 1.099 40.664 1.00 0.00 WT3 O ATOM 41666 H1 TIP3 4539 63.459 0.835 40.913 1.00 0.00 WT3 H ATOM 41667 H2 TIP3 4539 62.699 1.859 40.096 1.00 0.00 WT3 H ATOM 41668 OH2 TIP3 4541 51.361 94.097 43.574 1.00 0.00 WT3 O ATOM 41669 H1 TIP3 4541 50.492 94.009 43.183 1.00 0.00 WT3 H ATOM 41670 H2 TIP3 4541 51.927 93.553 43.026 1.00 0.00 WT3 H ATOM 41671 OH2 TIP3 4542 56.340 50.911 -5.149 1.00 0.00 WT3 O ATOM 41672 H1 TIP3 4542 56.286 51.424 -4.342 1.00 0.00 WT3 H ATOM 41673 H2 TIP3 4542 57.069 50.309 -5.002 1.00 0.00 WT3 H ATOM 41674 OH2 TIP3 4543 40.839 96.956 18.706 1.00 0.00 WT3 O ATOM 41675 H1 TIP3 4543 41.644 96.596 18.334 1.00 0.00 WT3 H ATOM 41676 H2 TIP3 4543 40.267 96.197 18.822 1.00 0.00 WT3 H ATOM 41677 OH2 TIP3 4544 30.816 54.718 -11.988 1.00 0.00 WT3 O ATOM 41678 H1 TIP3 4544 31.717 54.526 -11.729 1.00 0.00 WT3 H ATOM 41679 H2 TIP3 4544 30.847 54.774 -12.943 1.00 0.00 WT3 H ATOM 41680 OH2 TIP3 4546 79.352 87.407 54.723 1.00 0.00 WT3 O ATOM 41681 H1 TIP3 4546 78.988 86.522 54.700 1.00 0.00 WT3 H ATOM 41682 H2 TIP3 4546 78.863 87.886 54.054 1.00 0.00 WT3 H ATOM 41683 OH2 TIP3 4547 42.151 68.514 0.483 1.00 0.00 WT3 O ATOM 41684 H1 TIP3 4547 41.896 67.660 0.833 1.00 0.00 WT3 H ATOM 41685 H2 TIP3 4547 42.097 69.106 1.233 1.00 0.00 WT3 H ATOM 41686 OH2 TIP3 4548 69.447 11.046 3.385 1.00 0.00 WT3 O ATOM 41687 H1 TIP3 4548 70.008 11.818 3.303 1.00 0.00 WT3 H ATOM 41688 H2 TIP3 4548 69.544 10.775 4.297 1.00 0.00 WT3 H ATOM 41689 OH2 TIP3 4549 79.010 54.217 32.556 1.00 0.00 WT3 O ATOM 41690 H1 TIP3 4549 79.205 55.153 32.504 1.00 0.00 WT3 H ATOM 41691 H2 TIP3 4549 78.469 54.128 33.340 1.00 0.00 WT3 H ATOM 41692 OH2 TIP3 4552 83.872 92.862 33.107 1.00 0.00 WT3 O ATOM 41693 H1 TIP3 4552 84.767 92.552 32.970 1.00 0.00 WT3 H ATOM 41694 H2 TIP3 4552 83.386 92.537 32.349 1.00 0.00 WT3 H ATOM 41695 OH2 TIP3 4553 36.760 68.347 34.959 1.00 0.00 WT3 O ATOM 41696 H1 TIP3 4553 37.684 68.356 35.209 1.00 0.00 WT3 H ATOM 41697 H2 TIP3 4553 36.751 68.682 34.062 1.00 0.00 WT3 H ATOM 41698 OH2 TIP3 4554 80.198 79.329 48.824 1.00 0.00 WT3 O ATOM 41699 H1 TIP3 4554 80.924 79.319 48.201 1.00 0.00 WT3 H ATOM 41700 H2 TIP3 4554 80.618 79.301 49.684 1.00 0.00 WT3 H ATOM 41701 OH2 TIP3 4555 35.879 77.236 53.941 1.00 0.00 WT3 O ATOM 41702 H1 TIP3 4555 35.358 76.863 53.230 1.00 0.00 WT3 H ATOM 41703 H2 TIP3 4555 35.856 78.180 53.787 1.00 0.00 WT3 H ATOM 41704 OH2 TIP3 4556 44.647 12.750 40.101 1.00 0.00 WT3 O ATOM 41705 H1 TIP3 4556 44.865 12.779 39.169 1.00 0.00 WT3 H ATOM 41706 H2 TIP3 4556 44.561 11.818 40.299 1.00 0.00 WT3 H ATOM 41707 OH2 TIP3 4557 46.247 71.584 62.098 1.00 0.00 WT3 O ATOM 41708 H1 TIP3 4557 45.499 72.158 61.931 1.00 0.00 WT3 H ATOM 41709 H2 TIP3 4557 46.584 71.370 61.228 1.00 0.00 WT3 H ATOM 41710 OH2 TIP3 4558 60.531 34.248 -6.045 1.00 0.00 WT3 O ATOM 41711 H1 TIP3 4558 61.373 34.485 -6.433 1.00 0.00 WT3 H ATOM 41712 H2 TIP3 4558 60.188 35.071 -5.696 1.00 0.00 WT3 H ATOM 41713 OH2 TIP3 4559 39.913 46.353 -14.548 1.00 0.00 WT3 O ATOM 41714 H1 TIP3 4559 40.846 46.166 -14.446 1.00 0.00 WT3 H ATOM 41715 H2 TIP3 4559 39.846 47.302 -14.447 1.00 0.00 WT3 H ATOM 41716 OH2 TIP3 4560 86.128 45.932 -10.191 1.00 0.00 WT3 O ATOM 41717 H1 TIP3 4560 86.881 46.118 -9.632 1.00 0.00 WT3 H ATOM 41718 H2 TIP3 4560 85.988 44.989 -10.099 1.00 0.00 WT3 H ATOM 41719 OH2 TIP3 4561 30.919 90.088 46.170 1.00 0.00 WT3 O ATOM 41720 H1 TIP3 4561 31.090 89.288 45.674 1.00 0.00 WT3 H ATOM 41721 H2 TIP3 4561 31.321 90.784 45.649 1.00 0.00 WT3 H ATOM 41722 OH2 TIP3 4562 36.485 11.454 -14.566 1.00 0.00 WT3 O ATOM 41723 H1 TIP3 4562 36.670 10.844 -15.280 1.00 0.00 WT3 H ATOM 41724 H2 TIP3 4562 36.810 12.298 -14.882 1.00 0.00 WT3 H ATOM 41725 OH2 TIP3 4564 31.981 76.469 57.723 1.00 0.00 WT3 O ATOM 41726 H1 TIP3 4564 32.327 75.725 57.231 1.00 0.00 WT3 H ATOM 41727 H2 TIP3 4564 31.781 76.113 58.589 1.00 0.00 WT3 H ATOM 41728 OH2 TIP3 4566 22.000 80.662 5.115 1.00 0.00 WT3 O ATOM 41729 H1 TIP3 4566 21.700 79.818 5.453 1.00 0.00 WT3 H ATOM 41730 H2 TIP3 4566 22.097 81.211 5.892 1.00 0.00 WT3 H ATOM 41731 OH2 TIP3 4567 88.771 10.688 4.793 1.00 0.00 WT3 O ATOM 41732 H1 TIP3 4567 89.355 11.051 5.459 1.00 0.00 WT3 H ATOM 41733 H2 TIP3 4567 88.033 11.297 4.764 1.00 0.00 WT3 H ATOM 41734 OH2 TIP3 4568 56.452 79.050 22.091 1.00 0.00 WT3 O ATOM 41735 H1 TIP3 4568 56.529 78.205 22.535 1.00 0.00 WT3 H ATOM 41736 H2 TIP3 4568 55.617 79.405 22.395 1.00 0.00 WT3 H ATOM 41737 OH2 TIP3 4569 45.792 89.871 -17.049 1.00 0.00 WT3 O ATOM 41738 H1 TIP3 4569 45.606 89.676 -17.968 1.00 0.00 WT3 H ATOM 41739 H2 TIP3 4569 46.644 90.308 -17.064 1.00 0.00 WT3 H ATOM 41740 OH2 TIP3 4570 76.427 16.593 40.104 1.00 0.00 WT3 O ATOM 41741 H1 TIP3 4570 76.965 16.523 39.315 1.00 0.00 WT3 H ATOM 41742 H2 TIP3 4570 76.850 17.277 40.623 1.00 0.00 WT3 H ATOM 41743 OH2 TIP3 4571 74.964 4.652 65.075 1.00 0.00 WT3 O ATOM 41744 H1 TIP3 4571 75.205 5.080 65.897 1.00 0.00 WT3 H ATOM 41745 H2 TIP3 4571 75.529 5.059 64.418 1.00 0.00 WT3 H ATOM 41746 OH2 TIP3 4572 78.856 79.561 40.266 1.00 0.00 WT3 O ATOM 41747 H1 TIP3 4572 78.342 80.232 40.714 1.00 0.00 WT3 H ATOM 41748 H2 TIP3 4572 78.215 78.894 40.019 1.00 0.00 WT3 H ATOM 41749 OH2 TIP3 4573 83.207 16.840 38.634 1.00 0.00 WT3 O ATOM 41750 H1 TIP3 4573 84.072 16.535 38.908 1.00 0.00 WT3 H ATOM 41751 H2 TIP3 4573 83.226 17.785 38.785 1.00 0.00 WT3 H ATOM 41752 OH2 TIP3 4574 87.769 82.207 4.236 1.00 0.00 WT3 O ATOM 41753 H1 TIP3 4574 87.660 82.476 5.148 1.00 0.00 WT3 H ATOM 41754 H2 TIP3 4574 88.647 81.829 4.200 1.00 0.00 WT3 H ATOM 41755 OH2 TIP3 4575 59.007 62.466 54.957 1.00 0.00 WT3 O ATOM 41756 H1 TIP3 4575 58.184 62.025 55.167 1.00 0.00 WT3 H ATOM 41757 H2 TIP3 4575 59.018 62.511 54.000 1.00 0.00 WT3 H ATOM 41758 OH2 TIP3 4576 47.585 77.947 -13.332 1.00 0.00 WT3 O ATOM 41759 H1 TIP3 4576 48.101 77.450 -13.967 1.00 0.00 WT3 H ATOM 41760 H2 TIP3 4576 47.098 77.282 -12.846 1.00 0.00 WT3 H ATOM 41761 OH2 TIP3 4578 79.165 79.282 -5.305 1.00 0.00 WT3 O ATOM 41762 H1 TIP3 4578 78.864 79.203 -6.210 1.00 0.00 WT3 H ATOM 41763 H2 TIP3 4578 79.651 80.106 -5.284 1.00 0.00 WT3 H ATOM 41764 OH2 TIP3 4579 44.694 52.635 42.097 1.00 0.00 WT3 O ATOM 41765 H1 TIP3 4579 44.536 53.400 41.543 1.00 0.00 WT3 H ATOM 41766 H2 TIP3 4579 45.567 52.333 41.847 1.00 0.00 WT3 H ATOM 41767 OH2 TIP3 4581 82.154 60.925 6.751 1.00 0.00 WT3 O ATOM 41768 H1 TIP3 4581 81.415 60.351 6.956 1.00 0.00 WT3 H ATOM 41769 H2 TIP3 4581 81.801 61.556 6.124 1.00 0.00 WT3 H ATOM 41770 OH2 TIP3 4582 83.852 60.867 3.907 1.00 0.00 WT3 O ATOM 41771 H1 TIP3 4582 84.129 60.147 4.473 1.00 0.00 WT3 H ATOM 41772 H2 TIP3 4582 82.953 60.647 3.661 1.00 0.00 WT3 H ATOM 41773 OH2 TIP3 4585 66.320 6.873 29.799 1.00 0.00 WT3 O ATOM 41774 H1 TIP3 4585 65.883 7.226 29.023 1.00 0.00 WT3 H ATOM 41775 H2 TIP3 4585 66.258 7.574 30.448 1.00 0.00 WT3 H ATOM 41776 OH2 TIP3 4586 71.980 13.707 62.953 1.00 0.00 WT3 O ATOM 41777 H1 TIP3 4586 72.001 14.657 63.064 1.00 0.00 WT3 H ATOM 41778 H2 TIP3 4586 72.034 13.359 63.843 1.00 0.00 WT3 H ATOM 41779 OH2 TIP3 4587 37.437 84.720 2.471 1.00 0.00 WT3 O ATOM 41780 H1 TIP3 4587 37.580 84.862 1.535 1.00 0.00 WT3 H ATOM 41781 H2 TIP3 4587 36.783 85.374 2.715 1.00 0.00 WT3 H ATOM 41782 OH2 TIP3 4588 42.229 78.054 61.266 1.00 0.00 WT3 O ATOM 41783 H1 TIP3 4588 41.839 78.879 60.977 1.00 0.00 WT3 H ATOM 41784 H2 TIP3 4588 42.654 78.268 62.097 1.00 0.00 WT3 H ATOM 41785 OH2 TIP3 4592 23.704 32.970 53.801 1.00 0.00 WT3 O ATOM 41786 H1 TIP3 4592 23.278 33.187 54.630 1.00 0.00 WT3 H ATOM 41787 H2 TIP3 4592 24.397 33.624 53.709 1.00 0.00 WT3 H ATOM 41788 OH2 TIP3 4594 55.207 27.104 10.075 1.00 0.00 WT3 O ATOM 41789 H1 TIP3 4594 54.316 26.943 10.387 1.00 0.00 WT3 H ATOM 41790 H2 TIP3 4594 55.528 27.818 10.625 1.00 0.00 WT3 H ATOM 41791 OH2 TIP3 4596 30.105 60.598 7.101 1.00 0.00 WT3 O ATOM 41792 H1 TIP3 4596 30.578 60.176 6.384 1.00 0.00 WT3 H ATOM 41793 H2 TIP3 4596 30.732 60.616 7.824 1.00 0.00 WT3 H ATOM 41794 OH2 TIP3 4597 70.331 76.883 43.068 1.00 0.00 WT3 O ATOM 41795 H1 TIP3 4597 70.700 77.016 42.195 1.00 0.00 WT3 H ATOM 41796 H2 TIP3 4597 71.086 76.918 43.656 1.00 0.00 WT3 H ATOM 41797 OH2 TIP3 4598 40.394 86.220 14.371 1.00 0.00 WT3 O ATOM 41798 H1 TIP3 4598 39.938 85.859 15.131 1.00 0.00 WT3 H ATOM 41799 H2 TIP3 4598 39.969 85.810 13.618 1.00 0.00 WT3 H ATOM 41800 OH2 TIP3 4599 28.393 48.114 66.059 1.00 0.00 WT3 O ATOM 41801 H1 TIP3 4599 28.032 48.963 65.804 1.00 0.00 WT3 H ATOM 41802 H2 TIP3 4599 29.319 48.289 66.231 1.00 0.00 WT3 H ATOM 41803 OH2 TIP3 4600 45.333 9.137 26.460 1.00 0.00 WT3 O ATOM 41804 H1 TIP3 4600 45.068 9.041 27.374 1.00 0.00 WT3 H ATOM 41805 H2 TIP3 4600 46.141 9.649 26.496 1.00 0.00 WT3 H ATOM 41806 OH2 TIP3 4605 35.497 3.228 18.034 1.00 0.00 WT3 O ATOM 41807 H1 TIP3 4605 35.828 4.116 18.164 1.00 0.00 WT3 H ATOM 41808 H2 TIP3 4605 36.283 2.687 17.957 1.00 0.00 WT3 H ATOM 41809 OH2 TIP3 4606 61.865 88.024 25.264 1.00 0.00 WT3 O ATOM 41810 H1 TIP3 4606 61.671 88.080 26.200 1.00 0.00 WT3 H ATOM 41811 H2 TIP3 4606 62.184 87.131 25.138 1.00 0.00 WT3 H ATOM 41812 OH2 TIP3 4607 75.572 46.447 8.220 1.00 0.00 WT3 O ATOM 41813 H1 TIP3 4607 74.823 46.138 7.712 1.00 0.00 WT3 H ATOM 41814 H2 TIP3 4607 75.596 47.391 8.064 1.00 0.00 WT3 H ATOM 41815 OH2 TIP3 4610 30.985 48.784 45.610 1.00 0.00 WT3 O ATOM 41816 H1 TIP3 4610 30.263 48.947 46.217 1.00 0.00 WT3 H ATOM 41817 H2 TIP3 4610 31.043 49.584 45.086 1.00 0.00 WT3 H ATOM 41818 OH2 TIP3 4611 37.641 75.931 -15.042 1.00 0.00 WT3 O ATOM 41819 H1 TIP3 4611 37.141 75.168 -14.753 1.00 0.00 WT3 H ATOM 41820 H2 TIP3 4611 37.094 76.680 -14.808 1.00 0.00 WT3 H ATOM 41821 OH2 TIP3 4612 35.571 85.042 56.508 1.00 0.00 WT3 O ATOM 41822 H1 TIP3 4612 34.863 84.630 56.012 1.00 0.00 WT3 H ATOM 41823 H2 TIP3 4612 35.129 85.664 57.086 1.00 0.00 WT3 H ATOM 41824 OH2 TIP3 4614 63.322 73.567 28.441 1.00 0.00 WT3 O ATOM 41825 H1 TIP3 4614 63.036 72.680 28.659 1.00 0.00 WT3 H ATOM 41826 H2 TIP3 4614 62.531 74.101 28.520 1.00 0.00 WT3 H ATOM 41827 OH2 TIP3 4615 46.191 2.281 3.251 1.00 0.00 WT3 O ATOM 41828 H1 TIP3 4615 45.437 2.428 2.680 1.00 0.00 WT3 H ATOM 41829 H2 TIP3 4615 45.898 1.610 3.868 1.00 0.00 WT3 H ATOM 41830 OH2 TIP3 4616 89.534 77.424 43.206 1.00 0.00 WT3 O ATOM 41831 H1 TIP3 4616 89.957 76.750 42.674 1.00 0.00 WT3 H ATOM 41832 H2 TIP3 4616 89.180 78.045 42.570 1.00 0.00 WT3 H ATOM 41833 OH2 TIP3 4617 71.848 61.535 6.140 1.00 0.00 WT3 O ATOM 41834 H1 TIP3 4617 71.459 62.040 5.427 1.00 0.00 WT3 H ATOM 41835 H2 TIP3 4617 71.114 61.055 6.523 1.00 0.00 WT3 H ATOM 41836 OH2 TIP3 4619 47.281 72.105 45.147 1.00 0.00 WT3 O ATOM 41837 H1 TIP3 4619 46.484 72.159 44.620 1.00 0.00 WT3 H ATOM 41838 H2 TIP3 4619 47.686 71.278 44.886 1.00 0.00 WT3 H ATOM 41839 OH2 TIP3 4620 72.130 21.192 66.291 1.00 0.00 WT3 O ATOM 41840 H1 TIP3 4620 72.094 20.393 65.766 1.00 0.00 WT3 H ATOM 41841 H2 TIP3 4620 71.755 21.868 65.726 1.00 0.00 WT3 H ATOM 41842 OH2 TIP3 4624 35.953 65.975 52.286 1.00 0.00 WT3 O ATOM 41843 H1 TIP3 4624 36.466 66.251 51.527 1.00 0.00 WT3 H ATOM 41844 H2 TIP3 4624 35.586 66.786 52.637 1.00 0.00 WT3 H ATOM 41845 OH2 TIP3 4625 46.227 15.728 45.985 1.00 0.00 WT3 O ATOM 41846 H1 TIP3 4625 47.171 15.822 46.114 1.00 0.00 WT3 H ATOM 41847 H2 TIP3 4625 46.118 15.678 45.035 1.00 0.00 WT3 H ATOM 41848 OH2 TIP3 4626 22.572 90.742 34.133 1.00 0.00 WT3 O ATOM 41849 H1 TIP3 4626 21.797 90.364 33.718 1.00 0.00 WT3 H ATOM 41850 H2 TIP3 4626 22.949 91.312 33.463 1.00 0.00 WT3 H ATOM 41851 OH2 TIP3 4628 25.963 0.943 40.910 1.00 0.00 WT3 O ATOM 41852 H1 TIP3 4628 25.865 0.708 41.833 1.00 0.00 WT3 H ATOM 41853 H2 TIP3 4628 25.765 0.136 40.434 1.00 0.00 WT3 H ATOM 41854 OH2 TIP3 4630 81.138 56.384 43.797 1.00 0.00 WT3 O ATOM 41855 H1 TIP3 4630 81.507 57.172 43.399 1.00 0.00 WT3 H ATOM 41856 H2 TIP3 4630 80.873 56.660 44.675 1.00 0.00 WT3 H ATOM 41857 OH2 TIP3 4631 37.732 16.987 47.868 1.00 0.00 WT3 O ATOM 41858 H1 TIP3 4631 37.393 17.041 46.975 1.00 0.00 WT3 H ATOM 41859 H2 TIP3 4631 38.604 17.380 47.817 1.00 0.00 WT3 H ATOM 41860 OH2 TIP3 4638 51.901 90.651 46.905 1.00 0.00 WT3 O ATOM 41861 H1 TIP3 4638 51.403 89.874 46.651 1.00 0.00 WT3 H ATOM 41862 H2 TIP3 4638 52.417 90.870 46.129 1.00 0.00 WT3 H ATOM 41863 OH2 TIP3 4639 64.867 58.786 16.480 1.00 0.00 WT3 O ATOM 41864 H1 TIP3 4639 63.927 58.927 16.597 1.00 0.00 WT3 H ATOM 41865 H2 TIP3 4639 64.994 57.855 16.659 1.00 0.00 WT3 H ATOM 41866 OH2 TIP3 4644 38.753 40.025 56.859 1.00 0.00 WT3 O ATOM 41867 H1 TIP3 4644 39.554 40.546 56.811 1.00 0.00 WT3 H ATOM 41868 H2 TIP3 4644 38.111 40.525 56.354 1.00 0.00 WT3 H ATOM 41869 OH2 TIP3 4649 55.589 79.638 -6.587 1.00 0.00 WT3 O ATOM 41870 H1 TIP3 4649 55.133 79.060 -7.198 1.00 0.00 WT3 H ATOM 41871 H2 TIP3 4649 55.665 79.125 -5.782 1.00 0.00 WT3 H ATOM 41872 OH2 TIP3 4654 85.109 19.850 -0.340 1.00 0.00 WT3 O ATOM 41873 H1 TIP3 4654 85.664 19.079 -0.456 1.00 0.00 WT3 H ATOM 41874 H2 TIP3 4654 85.725 20.571 -0.211 1.00 0.00 WT3 H ATOM 41875 OH2 TIP3 4656 40.237 18.128 46.664 1.00 0.00 WT3 O ATOM 41876 H1 TIP3 4656 39.909 18.763 46.027 1.00 0.00 WT3 H ATOM 41877 H2 TIP3 4656 41.065 17.821 46.292 1.00 0.00 WT3 H ATOM 41878 OH2 TIP3 4657 26.964 63.000 57.955 1.00 0.00 WT3 O ATOM 41879 H1 TIP3 4657 27.715 63.505 57.643 1.00 0.00 WT3 H ATOM 41880 H2 TIP3 4657 27.348 62.211 58.338 1.00 0.00 WT3 H ATOM 41881 OH2 TIP3 4662 83.906 55.715 5.369 1.00 0.00 WT3 O ATOM 41882 H1 TIP3 4662 84.344 55.364 6.144 1.00 0.00 WT3 H ATOM 41883 H2 TIP3 4662 83.044 55.298 5.370 1.00 0.00 WT3 H ATOM 41884 OH2 TIP3 4663 41.989 92.289 37.117 1.00 0.00 WT3 O ATOM 41885 H1 TIP3 4663 41.920 92.206 36.166 1.00 0.00 WT3 H ATOM 41886 H2 TIP3 4663 41.100 92.138 37.437 1.00 0.00 WT3 H ATOM 41887 OH2 TIP3 4695 47.570 9.690 64.258 1.00 0.00 WT3 O ATOM 41888 H1 TIP3 4695 48.456 9.445 63.992 1.00 0.00 WT3 H ATOM 41889 H2 TIP3 4695 47.406 9.178 65.049 1.00 0.00 WT3 H ATOM 41890 OH2 TIP3 4701 60.550 9.933 28.307 1.00 0.00 WT3 O ATOM 41891 H1 TIP3 4701 59.627 10.072 28.097 1.00 0.00 WT3 H ATOM 41892 H2 TIP3 4701 60.647 8.982 28.346 1.00 0.00 WT3 H ATOM 41893 OH2 TIP3 4719 67.470 44.513 2.297 1.00 0.00 WT3 O ATOM 41894 H1 TIP3 4719 68.362 44.553 1.953 1.00 0.00 WT3 H ATOM 41895 H2 TIP3 4719 67.499 45.035 3.099 1.00 0.00 WT3 H ATOM 41896 OH2 TIP3 4725 49.754 10.353 55.855 1.00 0.00 WT3 O ATOM 41897 H1 TIP3 4725 50.139 10.071 56.685 1.00 0.00 WT3 H ATOM 41898 H2 TIP3 4725 48.844 10.059 55.900 1.00 0.00 WT3 H ATOM 41899 OH2 TIP3 4797 46.604 12.884 12.156 1.00 0.00 WT3 O ATOM 41900 H1 TIP3 4797 46.401 13.126 13.060 1.00 0.00 WT3 H ATOM 41901 H2 TIP3 4797 46.203 12.023 12.042 1.00 0.00 WT3 H ATOM 41902 OH2 TIP3 4807 38.024 77.875 66.047 1.00 0.00 WT3 O ATOM 41903 H1 TIP3 4807 38.738 77.238 66.060 1.00 0.00 WT3 H ATOM 41904 H2 TIP3 4807 37.742 77.901 65.132 1.00 0.00 WT3 H ATOM 41905 OH2 TIP3 4808 21.617 64.725 43.158 1.00 0.00 WT3 O ATOM 41906 H1 TIP3 4808 22.046 65.531 43.445 1.00 0.00 WT3 H ATOM 41907 H2 TIP3 4808 21.813 64.090 43.847 1.00 0.00 WT3 H ATOM 41908 OH2 TIP3 4809 81.639 15.826 53.798 1.00 0.00 WT3 O ATOM 41909 H1 TIP3 4809 81.201 15.140 53.294 1.00 0.00 WT3 H ATOM 41910 H2 TIP3 4809 81.663 15.488 54.693 1.00 0.00 WT3 H ATOM 41911 OH2 TIP3 4814 88.892 14.547 -0.017 1.00 0.00 WT3 O ATOM 41912 H1 TIP3 4814 88.857 14.473 0.936 1.00 0.00 WT3 H ATOM 41913 H2 TIP3 4814 89.386 13.777 -0.300 1.00 0.00 WT3 H ATOM 41914 OH2 TIP3 4834 64.785 79.482 22.274 1.00 0.00 WT3 O ATOM 41915 H1 TIP3 4834 64.934 79.799 23.165 1.00 0.00 WT3 H ATOM 41916 H2 TIP3 4834 63.849 79.283 22.244 1.00 0.00 WT3 H ATOM 41917 OH2 TIP3 4835 59.724 19.499 23.758 1.00 0.00 WT3 O ATOM 41918 H1 TIP3 4835 59.210 20.044 23.162 1.00 0.00 WT3 H ATOM 41919 H2 TIP3 4835 59.750 19.996 24.576 1.00 0.00 WT3 H ATOM 41920 OH2 TIP3 4836 80.370 78.133 -13.885 1.00 0.00 WT3 O ATOM 41921 H1 TIP3 4836 80.949 77.391 -13.712 1.00 0.00 WT3 H ATOM 41922 H2 TIP3 4836 80.401 78.245 -14.836 1.00 0.00 WT3 H ATOM 41923 OH2 TIP3 4844 74.702 68.317 21.525 1.00 0.00 WT3 O ATOM 41924 H1 TIP3 4844 74.558 68.555 22.441 1.00 0.00 WT3 H ATOM 41925 H2 TIP3 4844 74.745 69.155 21.064 1.00 0.00 WT3 H ATOM 41926 OH2 TIP3 4845 70.314 1.356 36.113 1.00 0.00 WT3 O ATOM 41927 H1 TIP3 4845 69.504 1.041 35.713 1.00 0.00 WT3 H ATOM 41928 H2 TIP3 4845 70.692 1.945 35.460 1.00 0.00 WT3 H ATOM 41929 OH2 TIP3 4847 68.369 5.744 57.851 1.00 0.00 WT3 O ATOM 41930 H1 TIP3 4847 68.746 6.564 58.170 1.00 0.00 WT3 H ATOM 41931 H2 TIP3 4847 67.991 5.968 57.001 1.00 0.00 WT3 H ATOM 41932 OH2 TIP3 4849 89.822 52.287 5.546 1.00 0.00 WT3 O ATOM 41933 H1 TIP3 4849 90.117 52.721 6.346 1.00 0.00 WT3 H ATOM 41934 H2 TIP3 4849 88.894 52.512 5.478 1.00 0.00 WT3 H ATOM 41935 OH2 TIP3 4851 35.557 49.140 27.191 1.00 0.00 WT3 O ATOM 41936 H1 TIP3 4851 35.534 49.890 27.786 1.00 0.00 WT3 H ATOM 41937 H2 TIP3 4851 35.367 49.512 26.330 1.00 0.00 WT3 H ATOM 41938 OH2 TIP3 4853 45.802 82.385 -12.655 1.00 0.00 WT3 O ATOM 41939 H1 TIP3 4853 45.017 82.778 -12.274 1.00 0.00 WT3 H ATOM 41940 H2 TIP3 4853 46.058 81.707 -12.029 1.00 0.00 WT3 H ATOM 41941 OH2 TIP3 4855 48.587 13.849 8.939 1.00 0.00 WT3 O ATOM 41942 H1 TIP3 4855 48.727 13.190 9.618 1.00 0.00 WT3 H ATOM 41943 H2 TIP3 4855 48.893 14.667 9.330 1.00 0.00 WT3 H ATOM 41944 OH2 TIP3 4857 88.859 58.710 24.143 1.00 0.00 WT3 O ATOM 41945 H1 TIP3 4857 89.023 58.244 24.963 1.00 0.00 WT3 H ATOM 41946 H2 TIP3 4857 88.575 58.029 23.533 1.00 0.00 WT3 H ATOM 41947 OH2 TIP3 4863 50.105 63.666 5.292 1.00 0.00 WT3 O ATOM 41948 H1 TIP3 4863 50.288 64.386 4.689 1.00 0.00 WT3 H ATOM 41949 H2 TIP3 4863 50.946 63.485 5.711 1.00 0.00 WT3 H ATOM 41950 OH2 TIP3 4864 56.882 61.397 -8.611 1.00 0.00 WT3 O ATOM 41951 H1 TIP3 4864 57.295 61.001 -7.844 1.00 0.00 WT3 H ATOM 41952 H2 TIP3 4864 55.946 61.392 -8.411 1.00 0.00 WT3 H ATOM 41953 OH2 TIP3 4870 47.659 62.985 58.970 1.00 0.00 WT3 O ATOM 41954 H1 TIP3 4870 48.474 63.438 59.187 1.00 0.00 WT3 H ATOM 41955 H2 TIP3 4870 47.823 62.595 58.111 1.00 0.00 WT3 H ATOM 41956 OH2 TIP3 4872 48.364 13.600 56.906 1.00 0.00 WT3 O ATOM 41957 H1 TIP3 4872 48.497 12.924 57.570 1.00 0.00 WT3 H ATOM 41958 H2 TIP3 4872 49.245 13.802 56.590 1.00 0.00 WT3 H ATOM 41959 OH2 TIP3 4873 79.701 5.804 10.680 1.00 0.00 WT3 O ATOM 41960 H1 TIP3 4873 79.239 6.355 10.048 1.00 0.00 WT3 H ATOM 41961 H2 TIP3 4873 79.663 6.296 11.500 1.00 0.00 WT3 H ATOM 41962 OH2 TIP3 4875 83.691 26.275 64.969 1.00 0.00 WT3 O ATOM 41963 H1 TIP3 4875 84.444 26.867 64.982 1.00 0.00 WT3 H ATOM 41964 H2 TIP3 4875 83.765 25.812 64.134 1.00 0.00 WT3 H ATOM 41965 OH2 TIP3 4877 34.982 70.157 -14.066 1.00 0.00 WT3 O ATOM 41966 H1 TIP3 4877 35.935 70.246 -14.039 1.00 0.00 WT3 H ATOM 41967 H2 TIP3 4877 34.746 69.844 -13.193 1.00 0.00 WT3 H ATOM 41968 OH2 TIP3 4881 64.835 82.961 10.658 1.00 0.00 WT3 O ATOM 41969 H1 TIP3 4881 64.080 82.410 10.451 1.00 0.00 WT3 H ATOM 41970 H2 TIP3 4881 65.023 82.775 11.577 1.00 0.00 WT3 H ATOM 41971 OH2 TIP3 4888 84.902 88.354 -2.615 1.00 0.00 WT3 O ATOM 41972 H1 TIP3 4888 85.182 88.674 -1.757 1.00 0.00 WT3 H ATOM 41973 H2 TIP3 4888 84.560 89.130 -3.060 1.00 0.00 WT3 H ATOM 41974 OH2 TIP3 4893 58.344 28.877 2.189 1.00 0.00 WT3 O ATOM 41975 H1 TIP3 4893 58.864 28.103 1.972 1.00 0.00 WT3 H ATOM 41976 H2 TIP3 4893 58.980 29.591 2.225 1.00 0.00 WT3 H ATOM 41977 OH2 TIP3 4894 73.142 66.859 8.527 1.00 0.00 WT3 O ATOM 41978 H1 TIP3 4894 72.485 66.991 9.211 1.00 0.00 WT3 H ATOM 41979 H2 TIP3 4894 72.679 66.380 7.840 1.00 0.00 WT3 H ATOM 41980 OH2 TIP3 4895 26.730 5.165 41.295 1.00 0.00 WT3 O ATOM 41981 H1 TIP3 4895 26.232 4.468 40.868 1.00 0.00 WT3 H ATOM 41982 H2 TIP3 4895 26.091 5.609 41.852 1.00 0.00 WT3 H ATOM 41983 OH2 TIP3 4896 72.749 5.987 -8.324 1.00 0.00 WT3 O ATOM 41984 H1 TIP3 4896 71.828 5.986 -8.063 1.00 0.00 WT3 H ATOM 41985 H2 TIP3 4896 72.736 5.735 -9.248 1.00 0.00 WT3 H ATOM 41986 OH2 TIP3 4897 34.137 58.054 20.165 1.00 0.00 WT3 O ATOM 41987 H1 TIP3 4897 34.082 58.850 20.694 1.00 0.00 WT3 H ATOM 41988 H2 TIP3 4897 34.737 58.279 19.454 1.00 0.00 WT3 H ATOM 41989 OH2 TIP3 4898 61.056 60.133 32.677 1.00 0.00 WT3 O ATOM 41990 H1 TIP3 4898 60.149 60.385 32.848 1.00 0.00 WT3 H ATOM 41991 H2 TIP3 4898 61.024 59.675 31.837 1.00 0.00 WT3 H ATOM 41992 OH2 TIP3 4899 40.269 34.544 -2.538 1.00 0.00 WT3 O ATOM 41993 H1 TIP3 4899 40.102 35.446 -2.263 1.00 0.00 WT3 H ATOM 41994 H2 TIP3 4899 40.744 34.154 -1.804 1.00 0.00 WT3 H ATOM 41995 OH2 TIP3 4902 85.630 78.272 42.795 1.00 0.00 WT3 O ATOM 41996 H1 TIP3 4902 85.449 77.979 43.688 1.00 0.00 WT3 H ATOM 41997 H2 TIP3 4902 86.576 78.164 42.694 1.00 0.00 WT3 H ATOM 41998 OH2 TIP3 4905 50.690 5.953 25.842 1.00 0.00 WT3 O ATOM 41999 H1 TIP3 4905 50.177 5.706 25.072 1.00 0.00 WT3 H ATOM 42000 H2 TIP3 4905 50.567 6.899 25.918 1.00 0.00 WT3 H ATOM 42001 OH2 TIP3 4906 82.819 94.667 7.381 1.00 0.00 WT3 O ATOM 42002 H1 TIP3 4906 83.340 94.169 6.751 1.00 0.00 WT3 H ATOM 42003 H2 TIP3 4906 83.114 95.572 7.275 1.00 0.00 WT3 H ATOM 42004 OH2 TIP3 4909 43.153 55.105 -19.192 1.00 0.00 WT3 O ATOM 42005 H1 TIP3 4909 43.380 54.178 -19.111 1.00 0.00 WT3 H ATOM 42006 H2 TIP3 4909 43.702 55.424 -19.908 1.00 0.00 WT3 H ATOM 42007 OH2 TIP3 4910 23.899 28.467 56.468 1.00 0.00 WT3 O ATOM 42008 H1 TIP3 4910 24.685 27.936 56.346 1.00 0.00 WT3 H ATOM 42009 H2 TIP3 4910 24.216 29.370 56.468 1.00 0.00 WT3 H ATOM 42010 OH2 TIP3 4913 47.234 48.550 54.381 1.00 0.00 WT3 O ATOM 42011 H1 TIP3 4913 48.156 48.806 54.417 1.00 0.00 WT3 H ATOM 42012 H2 TIP3 4913 46.788 49.311 54.009 1.00 0.00 WT3 H ATOM 42013 OH2 TIP3 4914 21.817 75.159 -17.223 1.00 0.00 WT3 O ATOM 42014 H1 TIP3 4914 22.371 75.645 -16.612 1.00 0.00 WT3 H ATOM 42015 H2 TIP3 4914 21.270 75.828 -17.634 1.00 0.00 WT3 H ATOM 42016 OH2 TIP3 4915 26.743 35.352 4.382 1.00 0.00 WT3 O ATOM 42017 H1 TIP3 4915 26.037 35.886 4.748 1.00 0.00 WT3 H ATOM 42018 H2 TIP3 4915 27.341 35.984 3.984 1.00 0.00 WT3 H ATOM 42019 OH2 TIP3 4916 84.295 24.854 -9.376 1.00 0.00 WT3 O ATOM 42020 H1 TIP3 4916 84.812 24.730 -8.580 1.00 0.00 WT3 H ATOM 42021 H2 TIP3 4916 84.737 24.319 -10.035 1.00 0.00 WT3 H ATOM 42022 OH2 TIP3 4917 62.413 71.580 -6.674 1.00 0.00 WT3 O ATOM 42023 H1 TIP3 4917 63.332 71.491 -6.422 1.00 0.00 WT3 H ATOM 42024 H2 TIP3 4917 61.923 71.305 -5.899 1.00 0.00 WT3 H ATOM 42025 OH2 TIP3 4919 58.175 80.235 16.213 1.00 0.00 WT3 O ATOM 42026 H1 TIP3 4919 57.690 80.823 16.791 1.00 0.00 WT3 H ATOM 42027 H2 TIP3 4919 59.005 80.084 16.666 1.00 0.00 WT3 H ATOM 42028 OH2 TIP3 4920 60.843 9.067 -11.155 1.00 0.00 WT3 O ATOM 42029 H1 TIP3 4920 60.402 9.874 -10.890 1.00 0.00 WT3 H ATOM 42030 H2 TIP3 4920 60.430 8.384 -10.626 1.00 0.00 WT3 H ATOM 42031 OH2 TIP3 4922 37.016 89.340 37.682 1.00 0.00 WT3 O ATOM 42032 H1 TIP3 4922 37.071 89.261 38.634 1.00 0.00 WT3 H ATOM 42033 H2 TIP3 4922 37.728 88.791 37.353 1.00 0.00 WT3 H ATOM 42034 OH2 TIP3 4924 25.882 63.400 -3.514 1.00 0.00 WT3 O ATOM 42035 H1 TIP3 4924 26.228 62.557 -3.805 1.00 0.00 WT3 H ATOM 42036 H2 TIP3 4924 26.358 64.048 -4.034 1.00 0.00 WT3 H ATOM 42037 OH2 TIP3 4928 37.218 66.997 20.841 1.00 0.00 WT3 O ATOM 42038 H1 TIP3 4928 37.884 67.254 20.203 1.00 0.00 WT3 H ATOM 42039 H2 TIP3 4928 37.661 67.053 21.687 1.00 0.00 WT3 H ATOM 42040 OH2 TIP3 4929 35.890 69.820 22.598 1.00 0.00 WT3 O ATOM 42041 H1 TIP3 4929 36.701 69.823 22.089 1.00 0.00 WT3 H ATOM 42042 H2 TIP3 4929 35.813 68.922 22.921 1.00 0.00 WT3 H ATOM 42043 OH2 TIP3 4931 43.204 60.131 42.856 1.00 0.00 WT3 O ATOM 42044 H1 TIP3 4931 43.657 60.974 42.851 1.00 0.00 WT3 H ATOM 42045 H2 TIP3 4931 43.775 59.549 42.354 1.00 0.00 WT3 H ATOM 42046 OH2 TIP3 4933 71.297 62.407 27.535 1.00 0.00 WT3 O ATOM 42047 H1 TIP3 4933 70.402 62.617 27.268 1.00 0.00 WT3 H ATOM 42048 H2 TIP3 4933 71.380 62.781 28.412 1.00 0.00 WT3 H ATOM 42049 OH2 TIP3 4934 41.254 2.509 62.736 1.00 0.00 WT3 O ATOM 42050 H1 TIP3 4934 41.624 2.369 61.865 1.00 0.00 WT3 H ATOM 42051 H2 TIP3 4934 41.342 1.662 63.173 1.00 0.00 WT3 H ATOM 42052 OH2 TIP3 4935 81.433 36.364 3.122 1.00 0.00 WT3 O ATOM 42053 H1 TIP3 4935 80.525 36.226 3.392 1.00 0.00 WT3 H ATOM 42054 H2 TIP3 4935 81.954 35.999 3.838 1.00 0.00 WT3 H ATOM 42055 OH2 TIP3 4936 71.831 90.312 66.187 1.00 0.00 WT3 O ATOM 42056 H1 TIP3 4936 71.019 90.819 66.197 1.00 0.00 WT3 H ATOM 42057 H2 TIP3 4936 72.449 90.859 65.702 1.00 0.00 WT3 H ATOM 42058 OH2 TIP3 4937 84.916 62.277 -5.057 1.00 0.00 WT3 O ATOM 42059 H1 TIP3 4937 84.826 61.411 -5.455 1.00 0.00 WT3 H ATOM 42060 H2 TIP3 4937 85.030 62.871 -5.799 1.00 0.00 WT3 H ATOM 42061 OH2 TIP3 4938 26.043 95.049 21.764 1.00 0.00 WT3 O ATOM 42062 H1 TIP3 4938 26.319 95.535 22.541 1.00 0.00 WT3 H ATOM 42063 H2 TIP3 4938 26.304 94.145 21.941 1.00 0.00 WT3 H ATOM 42064 OH2 TIP3 4939 41.987 47.047 -2.294 1.00 0.00 WT3 O ATOM 42065 H1 TIP3 4939 42.328 47.299 -1.437 1.00 0.00 WT3 H ATOM 42066 H2 TIP3 4939 42.061 46.093 -2.312 1.00 0.00 WT3 H ATOM 42067 OH2 TIP3 4940 31.006 8.368 64.428 1.00 0.00 WT3 O ATOM 42068 H1 TIP3 4940 30.786 7.458 64.629 1.00 0.00 WT3 H ATOM 42069 H2 TIP3 4940 30.835 8.455 63.490 1.00 0.00 WT3 H ATOM 42070 OH2 TIP3 4942 82.285 68.240 -9.522 1.00 0.00 WT3 O ATOM 42071 H1 TIP3 4942 81.765 68.767 -10.129 1.00 0.00 WT3 H ATOM 42072 H2 TIP3 4942 82.546 68.853 -8.835 1.00 0.00 WT3 H ATOM 42073 OH2 TIP3 4943 25.412 45.314 -16.568 1.00 0.00 WT3 O ATOM 42074 H1 TIP3 4943 25.854 45.830 -17.243 1.00 0.00 WT3 H ATOM 42075 H2 TIP3 4943 24.967 44.618 -17.052 1.00 0.00 WT3 H ATOM 42076 OH2 TIP3 4944 50.089 16.388 42.080 1.00 0.00 WT3 O ATOM 42077 H1 TIP3 4944 50.265 17.259 41.724 1.00 0.00 WT3 H ATOM 42078 H2 TIP3 4944 49.135 16.309 42.057 1.00 0.00 WT3 H ATOM 42079 OH2 TIP3 4945 21.896 66.091 18.454 1.00 0.00 WT3 O ATOM 42080 H1 TIP3 4945 21.338 66.867 18.399 1.00 0.00 WT3 H ATOM 42081 H2 TIP3 4945 21.441 65.511 19.064 1.00 0.00 WT3 H ATOM 42082 OH2 TIP3 4946 43.512 65.613 -19.907 1.00 0.00 WT3 O ATOM 42083 H1 TIP3 4946 43.066 65.147 -19.200 1.00 0.00 WT3 H ATOM 42084 H2 TIP3 4946 44.442 65.537 -19.694 1.00 0.00 WT3 H ATOM 42085 OH2 TIP3 4949 29.423 69.923 -12.949 1.00 0.00 WT3 O ATOM 42086 H1 TIP3 4949 30.018 70.395 -12.367 1.00 0.00 WT3 H ATOM 42087 H2 TIP3 4949 29.991 69.340 -13.452 1.00 0.00 WT3 H ATOM 42088 OH2 TIP3 4950 79.393 66.425 56.309 1.00 0.00 WT3 O ATOM 42089 H1 TIP3 4950 80.060 65.942 56.798 1.00 0.00 WT3 H ATOM 42090 H2 TIP3 4950 79.856 66.767 55.545 1.00 0.00 WT3 H ATOM 42091 OH2 TIP3 4953 56.995 63.999 18.960 1.00 0.00 WT3 O ATOM 42092 H1 TIP3 4953 56.367 64.229 18.275 1.00 0.00 WT3 H ATOM 42093 H2 TIP3 4953 57.698 63.542 18.498 1.00 0.00 WT3 H ATOM 42094 OH2 TIP3 4954 70.927 91.909 13.072 1.00 0.00 WT3 O ATOM 42095 H1 TIP3 4954 70.229 91.855 13.724 1.00 0.00 WT3 H ATOM 42096 H2 TIP3 4954 71.643 92.357 13.523 1.00 0.00 WT3 H ATOM 42097 OH2 TIP3 4955 56.143 77.907 15.263 1.00 0.00 WT3 O ATOM 42098 H1 TIP3 4955 57.006 77.918 15.676 1.00 0.00 WT3 H ATOM 42099 H2 TIP3 4955 56.058 77.022 14.908 1.00 0.00 WT3 H ATOM 42100 OH2 TIP3 4956 31.185 16.849 49.354 1.00 0.00 WT3 O ATOM 42101 H1 TIP3 4956 32.122 16.909 49.168 1.00 0.00 WT3 H ATOM 42102 H2 TIP3 4956 31.110 17.076 50.281 1.00 0.00 WT3 H ATOM 42103 OH2 TIP3 4957 49.464 82.238 9.850 1.00 0.00 WT3 O ATOM 42104 H1 TIP3 4957 49.602 81.620 9.133 1.00 0.00 WT3 H ATOM 42105 H2 TIP3 4957 49.973 81.879 10.577 1.00 0.00 WT3 H ATOM 42106 OH2 TIP3 4958 70.717 92.497 -10.425 1.00 0.00 WT3 O ATOM 42107 H1 TIP3 4958 70.981 91.842 -11.072 1.00 0.00 WT3 H ATOM 42108 H2 TIP3 4958 71.541 92.866 -10.108 1.00 0.00 WT3 H ATOM 42109 OH2 TIP3 4959 32.528 1.895 17.315 1.00 0.00 WT3 O ATOM 42110 H1 TIP3 4959 32.161 1.774 16.439 1.00 0.00 WT3 H ATOM 42111 H2 TIP3 4959 31.849 2.369 17.796 1.00 0.00 WT3 H ATOM 42112 OH2 TIP3 4960 81.905 69.615 5.160 1.00 0.00 WT3 O ATOM 42113 H1 TIP3 4960 82.401 70.427 5.061 1.00 0.00 WT3 H ATOM 42114 H2 TIP3 4960 81.855 69.477 6.106 1.00 0.00 WT3 H ATOM 42115 OH2 TIP3 4961 21.455 25.554 -2.841 1.00 0.00 WT3 O ATOM 42116 H1 TIP3 4961 22.005 24.773 -2.902 1.00 0.00 WT3 H ATOM 42117 H2 TIP3 4961 21.382 25.868 -3.742 1.00 0.00 WT3 H ATOM 42118 OH2 TIP3 4962 26.320 20.830 58.610 1.00 0.00 WT3 O ATOM 42119 H1 TIP3 4962 25.655 20.169 58.420 1.00 0.00 WT3 H ATOM 42120 H2 TIP3 4962 26.854 20.441 59.303 1.00 0.00 WT3 H ATOM 42121 OH2 TIP3 4963 32.028 3.649 -18.228 1.00 0.00 WT3 O ATOM 42122 H1 TIP3 4963 31.535 3.492 -17.423 1.00 0.00 WT3 H ATOM 42123 H2 TIP3 4963 32.318 2.780 -18.506 1.00 0.00 WT3 H ATOM 42124 OH2 TIP3 4964 36.870 44.716 -11.997 1.00 0.00 WT3 O ATOM 42125 H1 TIP3 4964 36.383 45.488 -11.708 1.00 0.00 WT3 H ATOM 42126 H2 TIP3 4964 36.219 44.016 -12.022 1.00 0.00 WT3 H ATOM 42127 OH2 TIP3 4965 41.496 73.714 -0.006 1.00 0.00 WT3 O ATOM 42128 H1 TIP3 4965 42.183 73.545 0.638 1.00 0.00 WT3 H ATOM 42129 H2 TIP3 4965 40.681 73.669 0.495 1.00 0.00 WT3 H ATOM 42130 OH2 TIP3 4967 88.646 71.694 12.449 1.00 0.00 WT3 O ATOM 42131 H1 TIP3 4967 89.428 71.865 11.925 1.00 0.00 WT3 H ATOM 42132 H2 TIP3 4967 88.983 71.471 13.317 1.00 0.00 WT3 H ATOM 42133 OH2 TIP3 4968 43.878 30.520 7.910 1.00 0.00 WT3 O ATOM 42134 H1 TIP3 4968 43.525 29.632 7.863 1.00 0.00 WT3 H ATOM 42135 H2 TIP3 4968 43.592 30.849 8.762 1.00 0.00 WT3 H ATOM 42136 OH2 TIP3 4970 74.786 71.312 4.935 1.00 0.00 WT3 O ATOM 42137 H1 TIP3 4970 74.703 72.251 4.769 1.00 0.00 WT3 H ATOM 42138 H2 TIP3 4970 73.953 71.064 5.336 1.00 0.00 WT3 H ATOM 42139 OH2 TIP3 4971 57.002 37.860 41.362 1.00 0.00 WT3 O ATOM 42140 H1 TIP3 4971 56.826 38.751 41.059 1.00 0.00 WT3 H ATOM 42141 H2 TIP3 4971 56.636 37.298 40.679 1.00 0.00 WT3 H ATOM 42142 OH2 TIP3 4972 51.658 84.844 1.241 1.00 0.00 WT3 O ATOM 42143 H1 TIP3 4972 51.439 84.444 2.082 1.00 0.00 WT3 H ATOM 42144 H2 TIP3 4972 51.581 84.130 0.608 1.00 0.00 WT3 H ATOM 42145 OH2 TIP3 4973 79.008 61.943 48.366 1.00 0.00 WT3 O ATOM 42146 H1 TIP3 4973 78.142 61.542 48.443 1.00 0.00 WT3 H ATOM 42147 H2 TIP3 4973 79.452 61.714 49.183 1.00 0.00 WT3 H ATOM 42148 OH2 TIP3 4974 53.509 77.296 30.436 1.00 0.00 WT3 O ATOM 42149 H1 TIP3 4974 53.686 76.842 29.612 1.00 0.00 WT3 H ATOM 42150 H2 TIP3 4974 52.769 76.823 30.817 1.00 0.00 WT3 H ATOM 42151 OH2 TIP3 4975 77.948 85.679 14.745 1.00 0.00 WT3 O ATOM 42152 H1 TIP3 4975 78.582 85.403 15.408 1.00 0.00 WT3 H ATOM 42153 H2 TIP3 4975 78.203 86.576 14.529 1.00 0.00 WT3 H ATOM 42154 OH2 TIP3 4976 67.818 77.925 -3.538 1.00 0.00 WT3 O ATOM 42155 H1 TIP3 4976 68.234 77.522 -4.301 1.00 0.00 WT3 H ATOM 42156 H2 TIP3 4976 67.151 77.294 -3.267 1.00 0.00 WT3 H ATOM 42157 OH2 TIP3 4977 73.460 13.043 53.150 1.00 0.00 WT3 O ATOM 42158 H1 TIP3 4977 73.751 12.402 53.798 1.00 0.00 WT3 H ATOM 42159 H2 TIP3 4977 72.504 13.026 53.206 1.00 0.00 WT3 H ATOM 42160 OH2 TIP3 4978 60.719 13.691 20.889 1.00 0.00 WT3 O ATOM 42161 H1 TIP3 4978 59.825 14.025 20.965 1.00 0.00 WT3 H ATOM 42162 H2 TIP3 4978 60.914 13.327 21.752 1.00 0.00 WT3 H ATOM 42163 OH2 TIP3 4979 39.535 66.834 64.729 1.00 0.00 WT3 O ATOM 42164 H1 TIP3 4979 38.658 66.772 64.350 1.00 0.00 WT3 H ATOM 42165 H2 TIP3 4979 40.119 66.532 64.034 1.00 0.00 WT3 H ATOM 42166 OH2 TIP3 4980 68.346 23.553 34.042 1.00 0.00 WT3 O ATOM 42167 H1 TIP3 4980 69.125 24.001 33.712 1.00 0.00 WT3 H ATOM 42168 H2 TIP3 4980 67.689 23.681 33.359 1.00 0.00 WT3 H ATOM 42169 OH2 TIP3 4981 79.830 81.746 27.204 1.00 0.00 WT3 O ATOM 42170 H1 TIP3 4981 79.076 82.326 27.310 1.00 0.00 WT3 H ATOM 42171 H2 TIP3 4981 79.581 80.943 27.662 1.00 0.00 WT3 H ATOM 42172 OH2 TIP3 4982 90.792 55.075 54.974 1.00 0.00 WT3 O ATOM 42173 H1 TIP3 4982 90.707 54.181 55.304 1.00 0.00 WT3 H ATOM 42174 H2 TIP3 4982 89.942 55.478 55.150 1.00 0.00 WT3 H ATOM 42175 OH2 TIP3 4983 31.452 9.015 -11.120 1.00 0.00 WT3 O ATOM 42176 H1 TIP3 4983 31.598 9.004 -10.174 1.00 0.00 WT3 H ATOM 42177 H2 TIP3 4983 30.702 8.436 -11.253 1.00 0.00 WT3 H ATOM 42178 OH2 TIP3 4985 60.362 87.011 9.770 1.00 0.00 WT3 O ATOM 42179 H1 TIP3 4985 60.778 87.836 10.023 1.00 0.00 WT3 H ATOM 42180 H2 TIP3 4985 60.449 86.453 10.543 1.00 0.00 WT3 H ATOM 42181 OH2 TIP3 4987 67.192 14.498 52.762 1.00 0.00 WT3 O ATOM 42182 H1 TIP3 4987 67.427 15.413 52.917 1.00 0.00 WT3 H ATOM 42183 H2 TIP3 4987 67.830 14.193 52.116 1.00 0.00 WT3 H ATOM 42184 OH2 TIP3 4989 66.113 90.462 -5.790 1.00 0.00 WT3 O ATOM 42185 H1 TIP3 4989 65.746 89.854 -6.432 1.00 0.00 WT3 H ATOM 42186 H2 TIP3 4989 65.523 91.216 -5.808 1.00 0.00 WT3 H ATOM 42187 OH2 TIP3 4991 23.227 25.331 43.665 1.00 0.00 WT3 O ATOM 42188 H1 TIP3 4991 23.874 25.202 42.972 1.00 0.00 WT3 H ATOM 42189 H2 TIP3 4991 22.672 24.552 43.624 1.00 0.00 WT3 H ATOM 42190 OH2 TIP3 4994 42.998 3.496 38.615 1.00 0.00 WT3 O ATOM 42191 H1 TIP3 4994 42.055 3.383 38.497 1.00 0.00 WT3 H ATOM 42192 H2 TIP3 4994 43.093 3.788 39.522 1.00 0.00 WT3 H ATOM 42193 OH2 TIP3 4995 78.925 62.427 55.624 1.00 0.00 WT3 O ATOM 42194 H1 TIP3 4995 78.118 62.942 55.640 1.00 0.00 WT3 H ATOM 42195 H2 TIP3 4995 78.655 61.549 55.895 1.00 0.00 WT3 H ATOM 42196 OH2 TIP3 4996 39.617 49.655 44.923 1.00 0.00 WT3 O ATOM 42197 H1 TIP3 4996 40.140 50.164 45.542 1.00 0.00 WT3 H ATOM 42198 H2 TIP3 4996 39.489 50.241 44.178 1.00 0.00 WT3 H ATOM 42199 OH2 TIP3 4998 56.110 83.150 44.744 1.00 0.00 WT3 O ATOM 42200 H1 TIP3 4998 56.827 83.331 44.136 1.00 0.00 WT3 H ATOM 42201 H2 TIP3 4998 55.376 82.900 44.182 1.00 0.00 WT3 H ATOM 42202 OH2 TIP3 4999 63.002 10.862 27.716 1.00 0.00 WT3 O ATOM 42203 H1 TIP3 4999 63.084 11.691 27.245 1.00 0.00 WT3 H ATOM 42204 H2 TIP3 4999 62.059 10.700 27.756 1.00 0.00 WT3 H ATOM 42205 OH2 TIP3 5000 49.383 54.122 61.065 1.00 0.00 WT3 O ATOM 42206 H1 TIP3 5000 48.682 54.284 60.433 1.00 0.00 WT3 H ATOM 42207 H2 TIP3 5000 49.202 53.246 61.405 1.00 0.00 WT3 H ATOM 42208 OH2 TIP3 5001 35.078 78.659 28.567 1.00 0.00 WT3 O ATOM 42209 H1 TIP3 5001 35.408 79.153 27.816 1.00 0.00 WT3 H ATOM 42210 H2 TIP3 5001 35.582 77.845 28.559 1.00 0.00 WT3 H ATOM 42211 OH2 TIP3 5002 45.409 16.508 54.117 1.00 0.00 WT3 O ATOM 42212 H1 TIP3 5002 45.758 15.661 54.395 1.00 0.00 WT3 H ATOM 42213 H2 TIP3 5002 46.166 17.094 54.124 1.00 0.00 WT3 H ATOM 42214 OH2 TIP3 5003 35.991 56.195 58.891 1.00 0.00 WT3 O ATOM 42215 H1 TIP3 5003 35.345 56.794 58.517 1.00 0.00 WT3 H ATOM 42216 H2 TIP3 5003 36.803 56.702 58.913 1.00 0.00 WT3 H ATOM 42217 OH2 TIP3 5004 39.755 95.946 -16.801 1.00 0.00 WT3 O ATOM 42218 H1 TIP3 5004 39.491 96.022 -15.885 1.00 0.00 WT3 H ATOM 42219 H2 TIP3 5004 39.202 95.249 -17.154 1.00 0.00 WT3 H ATOM 42220 OH2 TIP3 5005 32.671 91.454 7.885 1.00 0.00 WT3 O ATOM 42221 H1 TIP3 5005 32.778 91.377 8.833 1.00 0.00 WT3 H ATOM 42222 H2 TIP3 5005 32.329 90.602 7.613 1.00 0.00 WT3 H ATOM 42223 OH2 TIP3 5006 69.649 55.345 54.391 1.00 0.00 WT3 O ATOM 42224 H1 TIP3 5006 70.093 55.917 55.017 1.00 0.00 WT3 H ATOM 42225 H2 TIP3 5006 69.441 55.914 53.650 1.00 0.00 WT3 H ATOM 42226 OH2 TIP3 5007 41.964 45.918 -5.348 1.00 0.00 WT3 O ATOM 42227 H1 TIP3 5007 41.683 46.333 -4.532 1.00 0.00 WT3 H ATOM 42228 H2 TIP3 5007 42.811 46.318 -5.542 1.00 0.00 WT3 H ATOM 42229 OH2 TIP3 5008 54.620 0.743 -18.281 1.00 0.00 WT3 O ATOM 42230 H1 TIP3 5008 53.673 0.831 -18.394 1.00 0.00 WT3 H ATOM 42231 H2 TIP3 5008 54.738 0.610 -17.341 1.00 0.00 WT3 H ATOM 42232 OH2 TIP3 5009 39.985 82.421 9.571 1.00 0.00 WT3 O ATOM 42233 H1 TIP3 5009 40.821 81.971 9.693 1.00 0.00 WT3 H ATOM 42234 H2 TIP3 5009 39.472 82.189 10.346 1.00 0.00 WT3 H ATOM 42235 OH2 TIP3 5010 61.421 4.621 -1.968 1.00 0.00 WT3 O ATOM 42236 H1 TIP3 5010 61.462 4.392 -2.897 1.00 0.00 WT3 H ATOM 42237 H2 TIP3 5010 62.274 4.362 -1.620 1.00 0.00 WT3 H ATOM 42238 OH2 TIP3 5011 31.929 32.421 34.226 1.00 0.00 WT3 O ATOM 42239 H1 TIP3 5011 32.385 32.327 35.062 1.00 0.00 WT3 H ATOM 42240 H2 TIP3 5011 31.881 33.366 34.083 1.00 0.00 WT3 H ATOM 42241 OH2 TIP3 5012 23.207 47.453 25.986 1.00 0.00 WT3 O ATOM 42242 H1 TIP3 5012 24.155 47.480 26.110 1.00 0.00 WT3 H ATOM 42243 H2 TIP3 5012 22.899 48.301 26.309 1.00 0.00 WT3 H ATOM 42244 OH2 TIP3 5013 36.043 45.256 41.481 1.00 0.00 WT3 O ATOM 42245 H1 TIP3 5013 35.728 44.647 42.150 1.00 0.00 WT3 H ATOM 42246 H2 TIP3 5013 36.207 44.706 40.715 1.00 0.00 WT3 H ATOM 42247 OH2 TIP3 5014 76.471 77.976 39.411 1.00 0.00 WT3 O ATOM 42248 H1 TIP3 5014 76.134 77.092 39.557 1.00 0.00 WT3 H ATOM 42249 H2 TIP3 5014 76.864 77.942 38.539 1.00 0.00 WT3 H ATOM 42250 OH2 TIP3 5015 89.858 30.456 24.521 1.00 0.00 WT3 O ATOM 42251 H1 TIP3 5015 90.442 31.213 24.551 1.00 0.00 WT3 H ATOM 42252 H2 TIP3 5015 89.559 30.347 25.423 1.00 0.00 WT3 H ATOM 42253 OH2 TIP3 5016 61.155 55.821 60.437 1.00 0.00 WT3 O ATOM 42254 H1 TIP3 5016 61.364 56.755 60.426 1.00 0.00 WT3 H ATOM 42255 H2 TIP3 5016 60.709 55.685 61.273 1.00 0.00 WT3 H ATOM 42256 OH2 TIP3 5017 47.100 33.478 -19.247 1.00 0.00 WT3 O ATOM 42257 H1 TIP3 5017 46.436 33.697 -19.901 1.00 0.00 WT3 H ATOM 42258 H2 TIP3 5017 46.648 33.566 -18.408 1.00 0.00 WT3 H ATOM 42259 OH2 TIP3 5018 54.230 10.724 26.457 1.00 0.00 WT3 O ATOM 42260 H1 TIP3 5018 53.690 11.134 27.133 1.00 0.00 WT3 H ATOM 42261 H2 TIP3 5018 53.755 10.884 25.642 1.00 0.00 WT3 H ATOM 42262 OH2 TIP3 5019 88.283 52.862 12.701 1.00 0.00 WT3 O ATOM 42263 H1 TIP3 5019 89.143 52.754 12.296 1.00 0.00 WT3 H ATOM 42264 H2 TIP3 5019 88.469 52.984 13.632 1.00 0.00 WT3 H ATOM 42265 OH2 TIP3 5020 64.559 39.908 35.883 1.00 0.00 WT3 O ATOM 42266 H1 TIP3 5020 63.629 39.756 35.714 1.00 0.00 WT3 H ATOM 42267 H2 TIP3 5020 64.849 40.454 35.152 1.00 0.00 WT3 H ATOM 42268 OH2 TIP3 5021 83.868 33.821 -5.389 1.00 0.00 WT3 O ATOM 42269 H1 TIP3 5021 83.220 34.081 -4.735 1.00 0.00 WT3 H ATOM 42270 H2 TIP3 5021 83.681 34.376 -6.146 1.00 0.00 WT3 H ATOM 42271 OH2 TIP3 5022 27.840 17.118 60.828 1.00 0.00 WT3 O ATOM 42272 H1 TIP3 5022 26.930 17.271 61.081 1.00 0.00 WT3 H ATOM 42273 H2 TIP3 5022 27.794 16.423 60.172 1.00 0.00 WT3 H ATOM 42274 OH2 TIP3 5023 56.994 88.404 -16.026 1.00 0.00 WT3 O ATOM 42275 H1 TIP3 5023 57.773 87.895 -16.252 1.00 0.00 WT3 H ATOM 42276 H2 TIP3 5023 56.605 87.934 -15.289 1.00 0.00 WT3 H ATOM 42277 OH2 TIP3 5024 23.850 2.433 5.500 1.00 0.00 WT3 O ATOM 42278 H1 TIP3 5024 23.813 3.348 5.222 1.00 0.00 WT3 H ATOM 42279 H2 TIP3 5024 23.060 2.037 5.132 1.00 0.00 WT3 H ATOM 42280 OH2 TIP3 5025 76.896 94.827 2.354 1.00 0.00 WT3 O ATOM 42281 H1 TIP3 5025 76.990 95.730 2.050 1.00 0.00 WT3 H ATOM 42282 H2 TIP3 5025 76.697 94.907 3.287 1.00 0.00 WT3 H ATOM 42283 OH2 TIP3 5027 74.152 63.187 5.084 1.00 0.00 WT3 O ATOM 42284 H1 TIP3 5027 74.175 62.312 5.472 1.00 0.00 WT3 H ATOM 42285 H2 TIP3 5027 74.497 63.761 5.767 1.00 0.00 WT3 H ATOM 42286 OH2 TIP3 5031 64.588 71.573 46.838 1.00 0.00 WT3 O ATOM 42287 H1 TIP3 5031 64.978 72.384 47.165 1.00 0.00 WT3 H ATOM 42288 H2 TIP3 5031 63.837 71.420 47.411 1.00 0.00 WT3 H ATOM 42289 OH2 TIP3 5033 56.467 5.063 30.337 1.00 0.00 WT3 O ATOM 42290 H1 TIP3 5033 56.248 5.982 30.180 1.00 0.00 WT3 H ATOM 42291 H2 TIP3 5033 57.101 5.086 31.054 1.00 0.00 WT3 H ATOM 42292 OH2 TIP3 5034 69.006 11.879 46.383 1.00 0.00 WT3 O ATOM 42293 H1 TIP3 5034 68.859 12.802 46.589 1.00 0.00 WT3 H ATOM 42294 H2 TIP3 5034 68.217 11.609 45.911 1.00 0.00 WT3 H ATOM 42295 OH2 TIP3 5039 36.556 77.228 17.258 1.00 0.00 WT3 O ATOM 42296 H1 TIP3 5039 36.203 77.646 16.472 1.00 0.00 WT3 H ATOM 42297 H2 TIP3 5039 35.949 77.476 17.954 1.00 0.00 WT3 H ATOM 42298 OH2 TIP3 5041 72.246 87.275 28.556 1.00 0.00 WT3 O ATOM 42299 H1 TIP3 5041 71.769 86.696 27.960 1.00 0.00 WT3 H ATOM 42300 H2 TIP3 5041 73.166 87.042 28.432 1.00 0.00 WT3 H ATOM 42301 OH2 TIP3 5043 68.788 86.688 18.533 1.00 0.00 WT3 O ATOM 42302 H1 TIP3 5043 68.323 86.819 19.359 1.00 0.00 WT3 H ATOM 42303 H2 TIP3 5043 68.127 86.843 17.859 1.00 0.00 WT3 H ATOM 42304 OH2 TIP3 5044 24.974 53.450 2.809 1.00 0.00 WT3 O ATOM 42305 H1 TIP3 5044 24.184 53.464 3.348 1.00 0.00 WT3 H ATOM 42306 H2 TIP3 5044 25.455 52.678 3.108 1.00 0.00 WT3 H ATOM 42307 OH2 TIP3 5046 72.700 81.671 3.329 1.00 0.00 WT3 O ATOM 42308 H1 TIP3 5046 71.796 81.451 3.102 1.00 0.00 WT3 H ATOM 42309 H2 TIP3 5046 73.102 81.924 2.498 1.00 0.00 WT3 H ATOM 42310 OH2 TIP3 5047 67.280 81.007 -17.009 1.00 0.00 WT3 O ATOM 42311 H1 TIP3 5047 66.478 80.769 -16.544 1.00 0.00 WT3 H ATOM 42312 H2 TIP3 5047 67.967 80.497 -16.578 1.00 0.00 WT3 H ATOM 42313 OH2 TIP3 5048 77.363 54.271 47.960 1.00 0.00 WT3 O ATOM 42314 H1 TIP3 5048 76.424 54.140 47.826 1.00 0.00 WT3 H ATOM 42315 H2 TIP3 5048 77.670 53.444 48.332 1.00 0.00 WT3 H ATOM 42316 OH2 TIP3 5049 76.340 77.333 5.658 1.00 0.00 WT3 O ATOM 42317 H1 TIP3 5049 76.840 76.735 5.102 1.00 0.00 WT3 H ATOM 42318 H2 TIP3 5049 76.739 77.246 6.524 1.00 0.00 WT3 H ATOM 42319 OH2 TIP3 5051 44.410 21.162 65.251 1.00 0.00 WT3 O ATOM 42320 H1 TIP3 5051 44.152 20.792 66.095 1.00 0.00 WT3 H ATOM 42321 H2 TIP3 5051 45.265 21.560 65.414 1.00 0.00 WT3 H ATOM 42322 OH2 TIP3 5052 84.560 69.271 12.826 1.00 0.00 WT3 O ATOM 42323 H1 TIP3 5052 84.822 70.031 12.306 1.00 0.00 WT3 H ATOM 42324 H2 TIP3 5052 85.039 68.539 12.439 1.00 0.00 WT3 H ATOM 42325 OH2 TIP3 5056 84.824 75.670 29.928 1.00 0.00 WT3 O ATOM 42326 H1 TIP3 5056 85.157 74.828 29.618 1.00 0.00 WT3 H ATOM 42327 H2 TIP3 5056 83.884 75.528 30.044 1.00 0.00 WT3 H ATOM 42328 OH2 TIP3 5058 65.955 6.329 56.400 1.00 0.00 WT3 O ATOM 42329 H1 TIP3 5058 66.411 7.075 56.011 1.00 0.00 WT3 H ATOM 42330 H2 TIP3 5058 65.574 5.865 55.655 1.00 0.00 WT3 H ATOM 42331 OH2 TIP3 5059 74.244 89.708 4.885 1.00 0.00 WT3 O ATOM 42332 H1 TIP3 5059 73.978 89.112 5.585 1.00 0.00 WT3 H ATOM 42333 H2 TIP3 5059 75.165 89.500 4.729 1.00 0.00 WT3 H ATOM 42334 OH2 TIP3 5060 24.587 31.952 50.889 1.00 0.00 WT3 O ATOM 42335 H1 TIP3 5060 24.359 32.361 51.724 1.00 0.00 WT3 H ATOM 42336 H2 TIP3 5060 23.752 31.646 50.535 1.00 0.00 WT3 H ATOM 42337 OH2 TIP3 5061 82.751 69.699 -6.836 1.00 0.00 WT3 O ATOM 42338 H1 TIP3 5061 83.637 69.341 -6.787 1.00 0.00 WT3 H ATOM 42339 H2 TIP3 5061 82.184 68.976 -6.567 1.00 0.00 WT3 H ATOM 42340 OH2 TIP3 5063 23.000 32.766 6.161 1.00 0.00 WT3 O ATOM 42341 H1 TIP3 5063 23.798 33.281 6.277 1.00 0.00 WT3 H ATOM 42342 H2 TIP3 5063 23.076 32.058 6.801 1.00 0.00 WT3 H ATOM 42343 OH2 TIP3 5066 37.253 87.609 -12.442 1.00 0.00 WT3 O ATOM 42344 H1 TIP3 5066 37.110 88.550 -12.333 1.00 0.00 WT3 H ATOM 42345 H2 TIP3 5066 37.934 87.394 -11.805 1.00 0.00 WT3 H ATOM 42346 OH2 TIP3 5074 52.453 92.375 52.514 1.00 0.00 WT3 O ATOM 42347 H1 TIP3 5074 52.070 92.529 53.377 1.00 0.00 WT3 H ATOM 42348 H2 TIP3 5074 52.748 91.465 52.541 1.00 0.00 WT3 H ATOM 42349 OH2 TIP3 5076 49.059 12.859 25.563 1.00 0.00 WT3 O ATOM 42350 H1 TIP3 5076 49.985 12.638 25.464 1.00 0.00 WT3 H ATOM 42351 H2 TIP3 5076 48.997 13.770 25.275 1.00 0.00 WT3 H ATOM 42352 OH2 TIP3 5077 24.464 95.093 19.612 1.00 0.00 WT3 O ATOM 42353 H1 TIP3 5077 25.004 95.038 20.401 1.00 0.00 WT3 H ATOM 42354 H2 TIP3 5077 23.934 95.880 19.739 1.00 0.00 WT3 H ATOM 42355 OH2 TIP3 5080 84.165 10.831 -1.356 1.00 0.00 WT3 O ATOM 42356 H1 TIP3 5080 85.002 11.250 -1.555 1.00 0.00 WT3 H ATOM 42357 H2 TIP3 5080 83.512 11.512 -1.518 1.00 0.00 WT3 H ATOM 42358 OH2 TIP3 5084 33.119 57.437 64.114 1.00 0.00 WT3 O ATOM 42359 H1 TIP3 5084 32.513 57.035 64.737 1.00 0.00 WT3 H ATOM 42360 H2 TIP3 5084 32.617 58.148 63.716 1.00 0.00 WT3 H ATOM 42361 OH2 TIP3 5085 35.069 0.791 55.462 1.00 0.00 WT3 O ATOM 42362 H1 TIP3 5085 34.711 1.093 56.297 1.00 0.00 WT3 H ATOM 42363 H2 TIP3 5085 35.786 0.206 55.706 1.00 0.00 WT3 H ATOM 42364 OH2 TIP3 5088 34.993 28.805 -14.554 1.00 0.00 WT3 O ATOM 42365 H1 TIP3 5088 34.742 29.286 -13.765 1.00 0.00 WT3 H ATOM 42366 H2 TIP3 5088 35.102 29.481 -15.223 1.00 0.00 WT3 H ATOM 42367 OH2 TIP3 5092 87.613 90.264 -14.278 1.00 0.00 WT3 O ATOM 42368 H1 TIP3 5092 86.718 90.602 -14.243 1.00 0.00 WT3 H ATOM 42369 H2 TIP3 5092 87.689 89.707 -13.503 1.00 0.00 WT3 H ATOM 42370 OH2 TIP3 5094 58.485 95.182 55.682 1.00 0.00 WT3 O ATOM 42371 H1 TIP3 5094 58.186 94.497 55.083 1.00 0.00 WT3 H ATOM 42372 H2 TIP3 5094 59.062 95.730 55.150 1.00 0.00 WT3 H ATOM 42373 OH2 TIP3 5098 29.631 83.616 30.738 1.00 0.00 WT3 O ATOM 42374 H1 TIP3 5098 28.990 83.828 31.417 1.00 0.00 WT3 H ATOM 42375 H2 TIP3 5098 29.133 83.130 30.081 1.00 0.00 WT3 H ATOM 42376 OH2 TIP3 5105 56.548 83.930 -4.796 1.00 0.00 WT3 O ATOM 42377 H1 TIP3 5105 56.194 84.707 -5.228 1.00 0.00 WT3 H ATOM 42378 H2 TIP3 5105 56.118 83.913 -3.942 1.00 0.00 WT3 H ATOM 42379 OH2 TIP3 5114 72.474 29.878 -0.333 1.00 0.00 WT3 O ATOM 42380 H1 TIP3 5114 72.259 29.399 0.467 1.00 0.00 WT3 H ATOM 42381 H2 TIP3 5114 71.626 30.150 -0.686 1.00 0.00 WT3 H ATOM 42382 OH2 TIP3 5115 47.997 5.817 37.459 1.00 0.00 WT3 O ATOM 42383 H1 TIP3 5115 47.119 5.514 37.228 1.00 0.00 WT3 H ATOM 42384 H2 TIP3 5115 48.576 5.104 37.190 1.00 0.00 WT3 H ATOM 42385 OH2 TIP3 5116 80.857 36.234 24.956 1.00 0.00 WT3 O ATOM 42386 H1 TIP3 5116 81.552 36.892 24.962 1.00 0.00 WT3 H ATOM 42387 H2 TIP3 5116 80.270 36.512 24.253 1.00 0.00 WT3 H ATOM 42388 OH2 TIP3 5118 66.986 31.412 -7.089 1.00 0.00 WT3 O ATOM 42389 H1 TIP3 5118 66.718 30.625 -6.614 1.00 0.00 WT3 H ATOM 42390 H2 TIP3 5118 67.205 32.043 -6.403 1.00 0.00 WT3 H ATOM 42391 OH2 TIP3 5124 57.494 14.298 -4.787 1.00 0.00 WT3 O ATOM 42392 H1 TIP3 5124 58.144 14.185 -4.093 1.00 0.00 WT3 H ATOM 42393 H2 TIP3 5124 57.258 13.406 -5.043 1.00 0.00 WT3 H ATOM 42394 OH2 TIP3 5133 35.060 9.202 50.478 1.00 0.00 WT3 O ATOM 42395 H1 TIP3 5133 35.173 9.148 51.427 1.00 0.00 WT3 H ATOM 42396 H2 TIP3 5133 35.468 10.033 50.236 1.00 0.00 WT3 H ATOM 42397 OH2 TIP3 5134 39.116 60.878 8.762 1.00 0.00 WT3 O ATOM 42398 H1 TIP3 5134 39.881 60.742 9.322 1.00 0.00 WT3 H ATOM 42399 H2 TIP3 5134 38.931 60.015 8.394 1.00 0.00 WT3 H ATOM 42400 OH2 TIP3 5164 43.092 77.386 19.386 1.00 0.00 WT3 O ATOM 42401 H1 TIP3 5164 42.459 76.895 19.909 1.00 0.00 WT3 H ATOM 42402 H2 TIP3 5164 43.360 76.777 18.698 1.00 0.00 WT3 H ATOM 42403 OH2 TIP3 5166 73.134 75.706 60.242 1.00 0.00 WT3 O ATOM 42404 H1 TIP3 5166 72.473 75.050 60.462 1.00 0.00 WT3 H ATOM 42405 H2 TIP3 5166 73.882 75.197 59.929 1.00 0.00 WT3 H ATOM 42406 OH2 TIP3 5193 34.123 84.077 20.661 1.00 0.00 WT3 O ATOM 42407 H1 TIP3 5193 34.691 84.819 20.868 1.00 0.00 WT3 H ATOM 42408 H2 TIP3 5193 34.110 83.554 21.462 1.00 0.00 WT3 H ATOM 42409 OH2 TIP3 5195 41.255 54.285 6.779 1.00 0.00 WT3 O ATOM 42410 H1 TIP3 5195 40.323 54.111 6.909 1.00 0.00 WT3 H ATOM 42411 H2 TIP3 5195 41.632 54.245 7.658 1.00 0.00 WT3 H ATOM 42412 OH2 TIP3 5234 76.259 62.004 1.911 1.00 0.00 WT3 O ATOM 42413 H1 TIP3 5234 75.319 62.092 2.069 1.00 0.00 WT3 H ATOM 42414 H2 TIP3 5234 76.324 61.744 0.992 1.00 0.00 WT3 H ATOM 42415 OH2 TIP3 5251 31.675 82.899 -6.651 1.00 0.00 WT3 O ATOM 42416 H1 TIP3 5251 32.263 83.569 -7.000 1.00 0.00 WT3 H ATOM 42417 H2 TIP3 5251 30.800 83.273 -6.749 1.00 0.00 WT3 H ATOM 42418 OH2 TIP3 5252 84.183 6.484 48.876 1.00 0.00 WT3 O ATOM 42419 H1 TIP3 5252 84.291 6.728 47.957 1.00 0.00 WT3 H ATOM 42420 H2 TIP3 5252 83.286 6.155 48.933 1.00 0.00 WT3 H ATOM 42421 OH2 TIP3 5259 76.532 10.319 48.550 1.00 0.00 WT3 O ATOM 42422 H1 TIP3 5259 76.855 9.772 49.266 1.00 0.00 WT3 H ATOM 42423 H2 TIP3 5259 77.038 11.129 48.620 1.00 0.00 WT3 H ATOM 42424 OH2 TIP3 5271 20.664 16.124 6.441 1.00 0.00 WT3 O ATOM 42425 H1 TIP3 5271 21.477 16.360 5.993 1.00 0.00 WT3 H ATOM 42426 H2 TIP3 5271 20.070 16.852 6.260 1.00 0.00 WT3 H ATOM 42427 OH2 TIP3 5272 87.223 37.497 46.072 1.00 0.00 WT3 O ATOM 42428 H1 TIP3 5272 87.709 37.406 45.252 1.00 0.00 WT3 H ATOM 42429 H2 TIP3 5272 87.780 38.049 46.621 1.00 0.00 WT3 H ATOM 42430 OH2 TIP3 5284 62.839 73.659 14.824 1.00 0.00 WT3 O ATOM 42431 H1 TIP3 5284 61.886 73.741 14.849 1.00 0.00 WT3 H ATOM 42432 H2 TIP3 5284 62.999 72.858 14.326 1.00 0.00 WT3 H ATOM 42433 OH2 TIP3 5286 20.433 78.004 34.470 1.00 0.00 WT3 O ATOM 42434 H1 TIP3 5286 19.765 77.625 35.042 1.00 0.00 WT3 H ATOM 42435 H2 TIP3 5286 21.031 77.280 34.287 1.00 0.00 WT3 H ATOM 42436 OH2 TIP3 5296 75.217 55.673 47.251 1.00 0.00 WT3 O ATOM 42437 H1 TIP3 5296 75.496 55.805 46.345 1.00 0.00 WT3 H ATOM 42438 H2 TIP3 5296 74.423 56.200 47.337 1.00 0.00 WT3 H ATOM 42439 OH2 TIP3 5302 32.846 2.976 4.973 1.00 0.00 WT3 O ATOM 42440 H1 TIP3 5302 32.440 3.553 4.326 1.00 0.00 WT3 H ATOM 42441 H2 TIP3 5302 32.114 2.649 5.496 1.00 0.00 WT3 H ATOM 42442 OH2 TIP3 5304 53.372 42.719 -15.646 1.00 0.00 WT3 O ATOM 42443 H1 TIP3 5304 54.213 42.439 -16.007 1.00 0.00 WT3 H ATOM 42444 H2 TIP3 5304 53.007 41.929 -15.247 1.00 0.00 WT3 H ATOM 42445 OH2 TIP3 5306 61.153 56.941 18.338 1.00 0.00 WT3 O ATOM 42446 H1 TIP3 5306 61.289 56.074 17.957 1.00 0.00 WT3 H ATOM 42447 H2 TIP3 5306 60.439 57.319 17.824 1.00 0.00 WT3 H ATOM 42448 OH2 TIP3 5309 69.334 66.141 34.069 1.00 0.00 WT3 O ATOM 42449 H1 TIP3 5309 68.972 65.480 33.478 1.00 0.00 WT3 H ATOM 42450 H2 TIP3 5309 68.597 66.721 34.260 1.00 0.00 WT3 H ATOM 42451 OH2 TIP3 5314 55.557 80.191 54.810 1.00 0.00 WT3 O ATOM 42452 H1 TIP3 5314 54.651 80.492 54.880 1.00 0.00 WT3 H ATOM 42453 H2 TIP3 5314 55.920 80.691 54.078 1.00 0.00 WT3 H ATOM 42454 OH2 TIP3 5317 82.557 27.026 56.612 1.00 0.00 WT3 O ATOM 42455 H1 TIP3 5317 82.219 26.676 57.436 1.00 0.00 WT3 H ATOM 42456 H2 TIP3 5317 82.126 27.876 56.516 1.00 0.00 WT3 H ATOM 42457 OH2 TIP3 5318 56.249 0.250 23.257 1.00 0.00 WT3 O ATOM 42458 H1 TIP3 5318 55.843 -0.435 22.724 1.00 0.00 WT3 H ATOM 42459 H2 TIP3 5318 55.647 0.992 23.193 1.00 0.00 WT3 H ATOM 42460 OH2 TIP3 5319 69.439 62.650 -3.793 1.00 0.00 WT3 O ATOM 42461 H1 TIP3 5319 69.464 61.789 -3.376 1.00 0.00 WT3 H ATOM 42462 H2 TIP3 5319 69.402 63.269 -3.064 1.00 0.00 WT3 H ATOM 42463 OH2 TIP3 5320 32.521 58.182 -17.898 1.00 0.00 WT3 O ATOM 42464 H1 TIP3 5320 32.865 58.482 -17.056 1.00 0.00 WT3 H ATOM 42465 H2 TIP3 5320 33.265 57.755 -18.322 1.00 0.00 WT3 H ATOM 42466 OH2 TIP3 5323 22.086 51.104 13.980 1.00 0.00 WT3 O ATOM 42467 H1 TIP3 5323 22.641 51.611 14.572 1.00 0.00 WT3 H ATOM 42468 H2 TIP3 5323 22.435 50.214 14.026 1.00 0.00 WT3 H ATOM 42469 OH2 TIP3 5328 46.847 23.466 49.683 1.00 0.00 WT3 O ATOM 42470 H1 TIP3 5328 46.269 24.097 49.253 1.00 0.00 WT3 H ATOM 42471 H2 TIP3 5328 47.729 23.800 49.521 1.00 0.00 WT3 H ATOM 42472 OH2 TIP3 5331 74.204 58.960 41.546 1.00 0.00 WT3 O ATOM 42473 H1 TIP3 5331 73.271 58.762 41.474 1.00 0.00 WT3 H ATOM 42474 H2 TIP3 5331 74.383 58.939 42.486 1.00 0.00 WT3 H ATOM 42475 OH2 TIP3 5332 72.831 79.136 46.395 1.00 0.00 WT3 O ATOM 42476 H1 TIP3 5332 72.798 78.231 46.085 1.00 0.00 WT3 H ATOM 42477 H2 TIP3 5332 73.752 79.283 46.611 1.00 0.00 WT3 H ATOM 42478 OH2 TIP3 5334 63.922 70.189 16.862 1.00 0.00 WT3 O ATOM 42479 H1 TIP3 5334 63.421 69.825 17.592 1.00 0.00 WT3 H ATOM 42480 H2 TIP3 5334 63.470 69.873 16.080 1.00 0.00 WT3 H ATOM 42481 OH2 TIP3 5338 47.706 58.807 51.577 1.00 0.00 WT3 O ATOM 42482 H1 TIP3 5338 46.929 58.669 51.034 1.00 0.00 WT3 H ATOM 42483 H2 TIP3 5338 48.385 59.080 50.960 1.00 0.00 WT3 H ATOM 42484 OH2 TIP3 5341 25.588 87.186 48.349 1.00 0.00 WT3 O ATOM 42485 H1 TIP3 5341 25.076 87.391 47.567 1.00 0.00 WT3 H ATOM 42486 H2 TIP3 5341 26.249 87.877 48.391 1.00 0.00 WT3 H ATOM 42487 OH2 TIP3 5350 47.422 42.285 13.871 1.00 0.00 WT3 O ATOM 42488 H1 TIP3 5350 46.500 42.299 14.128 1.00 0.00 WT3 H ATOM 42489 H2 TIP3 5350 47.804 41.574 14.385 1.00 0.00 WT3 H ATOM 42490 OH2 TIP3 5351 73.046 68.848 -4.108 1.00 0.00 WT3 O ATOM 42491 H1 TIP3 5351 73.247 68.069 -3.588 1.00 0.00 WT3 H ATOM 42492 H2 TIP3 5351 72.167 68.686 -4.451 1.00 0.00 WT3 H ATOM 42493 OH2 TIP3 5354 26.971 81.923 43.096 1.00 0.00 WT3 O ATOM 42494 H1 TIP3 5354 27.686 81.357 43.388 1.00 0.00 WT3 H ATOM 42495 H2 TIP3 5354 27.009 81.883 42.140 1.00 0.00 WT3 H ATOM 42496 OH2 TIP3 5355 40.345 23.843 -3.105 1.00 0.00 WT3 O ATOM 42497 H1 TIP3 5355 40.589 23.514 -2.240 1.00 0.00 WT3 H ATOM 42498 H2 TIP3 5355 41.117 24.323 -3.405 1.00 0.00 WT3 H ATOM 42499 OH2 TIP3 5356 51.547 45.266 52.836 1.00 0.00 WT3 O ATOM 42500 H1 TIP3 5356 50.658 45.582 53.000 1.00 0.00 WT3 H ATOM 42501 H2 TIP3 5356 51.456 44.315 52.777 1.00 0.00 WT3 H ATOM 42502 OH2 TIP3 5357 33.172 71.946 8.039 1.00 0.00 WT3 O ATOM 42503 H1 TIP3 5357 32.737 71.411 8.702 1.00 0.00 WT3 H ATOM 42504 H2 TIP3 5357 33.990 72.223 8.452 1.00 0.00 WT3 H ATOM 42505 OH2 TIP3 5358 23.763 38.465 -13.443 1.00 0.00 WT3 O ATOM 42506 H1 TIP3 5358 24.449 37.798 -13.470 1.00 0.00 WT3 H ATOM 42507 H2 TIP3 5358 23.983 39.004 -12.683 1.00 0.00 WT3 H ATOM 42508 OH2 TIP3 5359 56.998 19.054 -14.382 1.00 0.00 WT3 O ATOM 42509 H1 TIP3 5359 56.349 19.731 -14.571 1.00 0.00 WT3 H ATOM 42510 H2 TIP3 5359 57.373 19.310 -13.539 1.00 0.00 WT3 H ATOM 42511 OH2 TIP3 5360 42.775 83.986 23.336 1.00 0.00 WT3 O ATOM 42512 H1 TIP3 5360 43.644 83.979 23.737 1.00 0.00 WT3 H ATOM 42513 H2 TIP3 5360 42.653 83.094 23.012 1.00 0.00 WT3 H ATOM 42514 OH2 TIP3 5363 30.901 27.630 50.693 1.00 0.00 WT3 O ATOM 42515 H1 TIP3 5363 31.092 27.913 49.799 1.00 0.00 WT3 H ATOM 42516 H2 TIP3 5363 29.996 27.905 50.844 1.00 0.00 WT3 H ATOM 42517 OH2 TIP3 5364 66.972 1.516 56.093 1.00 0.00 WT3 O ATOM 42518 H1 TIP3 5364 67.880 1.791 55.971 1.00 0.00 WT3 H ATOM 42519 H2 TIP3 5364 66.604 1.501 55.210 1.00 0.00 WT3 H ATOM 42520 OH2 TIP3 5369 56.137 62.621 -18.041 1.00 0.00 WT3 O ATOM 42521 H1 TIP3 5369 56.211 61.667 -18.005 1.00 0.00 WT3 H ATOM 42522 H2 TIP3 5369 56.525 62.860 -18.882 1.00 0.00 WT3 H ATOM 42523 OH2 TIP3 5370 86.250 81.445 2.175 1.00 0.00 WT3 O ATOM 42524 H1 TIP3 5370 85.819 80.676 2.548 1.00 0.00 WT3 H ATOM 42525 H2 TIP3 5370 86.739 81.823 2.905 1.00 0.00 WT3 H ATOM 42526 OH2 TIP3 5371 68.075 63.856 32.715 1.00 0.00 WT3 O ATOM 42527 H1 TIP3 5371 67.826 63.259 32.009 1.00 0.00 WT3 H ATOM 42528 H2 TIP3 5371 67.358 64.489 32.758 1.00 0.00 WT3 H ATOM 42529 OH2 TIP3 5372 41.078 65.446 44.724 1.00 0.00 WT3 O ATOM 42530 H1 TIP3 5372 41.580 66.044 44.170 1.00 0.00 WT3 H ATOM 42531 H2 TIP3 5372 40.196 65.818 44.740 1.00 0.00 WT3 H ATOM 42532 OH2 TIP3 5374 33.444 82.434 56.418 1.00 0.00 WT3 O ATOM 42533 H1 TIP3 5374 32.654 81.894 56.389 1.00 0.00 WT3 H ATOM 42534 H2 TIP3 5374 33.363 83.020 55.665 1.00 0.00 WT3 H ATOM 42535 OH2 TIP3 5375 35.682 54.679 -9.057 1.00 0.00 WT3 O ATOM 42536 H1 TIP3 5375 34.726 54.643 -9.027 1.00 0.00 WT3 H ATOM 42537 H2 TIP3 5375 35.930 55.150 -8.261 1.00 0.00 WT3 H ATOM 42538 OH2 TIP3 5376 41.706 10.450 26.196 1.00 0.00 WT3 O ATOM 42539 H1 TIP3 5376 41.375 10.633 25.316 1.00 0.00 WT3 H ATOM 42540 H2 TIP3 5376 42.019 11.296 26.515 1.00 0.00 WT3 H ATOM 42541 OH2 TIP3 5377 40.416 70.652 59.787 1.00 0.00 WT3 O ATOM 42542 H1 TIP3 5377 40.084 70.193 60.559 1.00 0.00 WT3 H ATOM 42543 H2 TIP3 5377 40.217 71.574 59.951 1.00 0.00 WT3 H ATOM 42544 OH2 TIP3 5378 41.918 58.897 4.057 1.00 0.00 WT3 O ATOM 42545 H1 TIP3 5378 41.720 58.829 4.991 1.00 0.00 WT3 H ATOM 42546 H2 TIP3 5378 42.842 59.142 4.024 1.00 0.00 WT3 H ATOM 42547 OH2 TIP3 5379 81.001 73.309 -11.853 1.00 0.00 WT3 O ATOM 42548 H1 TIP3 5379 81.309 74.031 -12.401 1.00 0.00 WT3 H ATOM 42549 H2 TIP3 5379 80.257 73.674 -11.372 1.00 0.00 WT3 H ATOM 42550 OH2 TIP3 5380 50.633 80.393 -4.607 1.00 0.00 WT3 O ATOM 42551 H1 TIP3 5380 51.441 80.845 -4.363 1.00 0.00 WT3 H ATOM 42552 H2 TIP3 5380 50.337 79.976 -3.797 1.00 0.00 WT3 H ATOM 42553 OH2 TIP3 5381 45.541 46.571 -9.507 1.00 0.00 WT3 O ATOM 42554 H1 TIP3 5381 45.589 47.517 -9.370 1.00 0.00 WT3 H ATOM 42555 H2 TIP3 5381 46.198 46.392 -10.179 1.00 0.00 WT3 H ATOM 42556 OH2 TIP3 5382 68.009 5.362 62.004 1.00 0.00 WT3 O ATOM 42557 H1 TIP3 5382 68.432 5.958 61.386 1.00 0.00 WT3 H ATOM 42558 H2 TIP3 5382 67.136 5.217 61.639 1.00 0.00 WT3 H ATOM 42559 OH2 TIP3 5383 46.485 50.877 7.698 1.00 0.00 WT3 O ATOM 42560 H1 TIP3 5383 47.407 50.617 7.691 1.00 0.00 WT3 H ATOM 42561 H2 TIP3 5383 46.356 51.281 8.557 1.00 0.00 WT3 H ATOM 42562 OH2 TIP3 5384 68.774 60.423 -11.412 1.00 0.00 WT3 O ATOM 42563 H1 TIP3 5384 68.835 60.297 -12.359 1.00 0.00 WT3 H ATOM 42564 H2 TIP3 5384 69.077 59.594 -11.040 1.00 0.00 WT3 H ATOM 42565 OH2 TIP3 5385 30.635 55.866 55.250 1.00 0.00 WT3 O ATOM 42566 H1 TIP3 5385 30.281 55.194 55.832 1.00 0.00 WT3 H ATOM 42567 H2 TIP3 5385 29.878 56.404 55.017 1.00 0.00 WT3 H ATOM 42568 OH2 TIP3 5388 55.434 81.916 49.835 1.00 0.00 WT3 O ATOM 42569 H1 TIP3 5388 55.516 81.164 49.249 1.00 0.00 WT3 H ATOM 42570 H2 TIP3 5388 54.529 82.209 49.725 1.00 0.00 WT3 H ATOM 42571 OH2 TIP3 5389 38.448 55.077 32.626 1.00 0.00 WT3 O ATOM 42572 H1 TIP3 5389 38.189 54.310 32.116 1.00 0.00 WT3 H ATOM 42573 H2 TIP3 5389 38.723 55.719 31.971 1.00 0.00 WT3 H ATOM 42574 OH2 TIP3 5390 34.859 67.358 57.513 1.00 0.00 WT3 O ATOM 42575 H1 TIP3 5390 34.017 67.090 57.145 1.00 0.00 WT3 H ATOM 42576 H2 TIP3 5390 35.457 66.645 57.290 1.00 0.00 WT3 H ATOM 42577 OH2 TIP3 5392 85.842 16.136 39.893 1.00 0.00 WT3 O ATOM 42578 H1 TIP3 5392 85.470 16.544 40.675 1.00 0.00 WT3 H ATOM 42579 H2 TIP3 5392 86.475 15.502 40.230 1.00 0.00 WT3 H ATOM 42580 OH2 TIP3 5393 83.382 8.476 -14.291 1.00 0.00 WT3 O ATOM 42581 H1 TIP3 5393 84.028 8.982 -14.784 1.00 0.00 WT3 H ATOM 42582 H2 TIP3 5393 83.192 9.014 -13.523 1.00 0.00 WT3 H ATOM 42583 OH2 TIP3 5394 56.933 79.410 -4.124 1.00 0.00 WT3 O ATOM 42584 H1 TIP3 5394 57.717 79.069 -4.556 1.00 0.00 WT3 H ATOM 42585 H2 TIP3 5394 57.112 79.310 -3.189 1.00 0.00 WT3 H ATOM 42586 OH2 TIP3 5396 75.832 0.486 4.258 1.00 0.00 WT3 O ATOM 42587 H1 TIP3 5396 74.996 0.086 4.019 1.00 0.00 WT3 H ATOM 42588 H2 TIP3 5396 75.711 0.773 5.163 1.00 0.00 WT3 H ATOM 42589 OH2 TIP3 5397 56.853 47.157 58.337 1.00 0.00 WT3 O ATOM 42590 H1 TIP3 5397 57.658 46.743 58.648 1.00 0.00 WT3 H ATOM 42591 H2 TIP3 5397 57.151 47.865 57.767 1.00 0.00 WT3 H ATOM 42592 OH2 TIP3 5398 36.692 83.908 -9.494 1.00 0.00 WT3 O ATOM 42593 H1 TIP3 5398 35.807 84.074 -9.819 1.00 0.00 WT3 H ATOM 42594 H2 TIP3 5398 37.265 84.351 -10.121 1.00 0.00 WT3 H ATOM 42595 OH2 TIP3 5399 30.850 95.708 54.835 1.00 0.00 WT3 O ATOM 42596 H1 TIP3 5399 30.665 96.247 55.604 1.00 0.00 WT3 H ATOM 42597 H2 TIP3 5399 30.486 96.202 54.101 1.00 0.00 WT3 H ATOM 42598 OH2 TIP3 5400 23.801 17.539 -3.530 1.00 0.00 WT3 O ATOM 42599 H1 TIP3 5400 24.688 17.190 -3.442 1.00 0.00 WT3 H ATOM 42600 H2 TIP3 5400 23.656 18.032 -2.722 1.00 0.00 WT3 H ATOM 42601 OH2 TIP3 5401 60.942 80.684 30.823 1.00 0.00 WT3 O ATOM 42602 H1 TIP3 5401 60.191 80.484 31.383 1.00 0.00 WT3 H ATOM 42603 H2 TIP3 5401 61.546 79.955 30.961 1.00 0.00 WT3 H ATOM 42604 OH2 TIP3 5402 84.208 57.692 67.150 1.00 0.00 WT3 O ATOM 42605 H1 TIP3 5402 83.717 56.997 67.589 1.00 0.00 WT3 H ATOM 42606 H2 TIP3 5402 84.651 57.252 66.425 1.00 0.00 WT3 H ATOM 42607 OH2 TIP3 5404 45.469 89.433 11.780 1.00 0.00 WT3 O ATOM 42608 H1 TIP3 5404 44.603 89.794 11.972 1.00 0.00 WT3 H ATOM 42609 H2 TIP3 5404 45.974 90.180 11.460 1.00 0.00 WT3 H ATOM 42610 OH2 TIP3 5408 82.121 72.572 5.401 1.00 0.00 WT3 O ATOM 42611 H1 TIP3 5408 81.228 72.549 5.744 1.00 0.00 WT3 H ATOM 42612 H2 TIP3 5408 82.655 72.865 6.139 1.00 0.00 WT3 H ATOM 42613 OH2 TIP3 5409 35.051 15.675 52.839 1.00 0.00 WT3 O ATOM 42614 H1 TIP3 5409 34.350 15.792 52.198 1.00 0.00 WT3 H ATOM 42615 H2 TIP3 5409 35.665 15.074 52.416 1.00 0.00 WT3 H ATOM 42616 OH2 TIP3 5413 61.562 18.235 26.291 1.00 0.00 WT3 O ATOM 42617 H1 TIP3 5413 61.077 19.021 26.541 1.00 0.00 WT3 H ATOM 42618 H2 TIP3 5413 61.369 18.120 25.360 1.00 0.00 WT3 H ATOM 42619 OH2 TIP3 5414 89.150 76.316 -1.456 1.00 0.00 WT3 O ATOM 42620 H1 TIP3 5414 88.306 76.306 -1.005 1.00 0.00 WT3 H ATOM 42621 H2 TIP3 5414 89.673 75.657 -1.001 1.00 0.00 WT3 H ATOM 42622 OH2 TIP3 5417 59.426 62.080 51.912 1.00 0.00 WT3 O ATOM 42623 H1 TIP3 5417 58.769 61.385 51.870 1.00 0.00 WT3 H ATOM 42624 H2 TIP3 5417 60.201 61.702 51.496 1.00 0.00 WT3 H ATOM 42625 OH2 TIP3 5418 47.708 0.573 29.165 1.00 0.00 WT3 O ATOM 42626 H1 TIP3 5418 48.109 -0.071 29.748 1.00 0.00 WT3 H ATOM 42627 H2 TIP3 5418 48.302 0.622 28.416 1.00 0.00 WT3 H ATOM 42628 OH2 TIP3 5419 36.167 46.831 48.313 1.00 0.00 WT3 O ATOM 42629 H1 TIP3 5419 36.264 47.768 48.143 1.00 0.00 WT3 H ATOM 42630 H2 TIP3 5419 35.916 46.458 47.468 1.00 0.00 WT3 H ATOM 42631 OH2 TIP3 5420 43.532 1.735 -17.410 1.00 0.00 WT3 O ATOM 42632 H1 TIP3 5420 43.960 0.894 -17.248 1.00 0.00 WT3 H ATOM 42633 H2 TIP3 5420 42.618 1.510 -17.583 1.00 0.00 WT3 H ATOM 42634 OH2 TIP3 5421 46.664 88.223 57.395 1.00 0.00 WT3 O ATOM 42635 H1 TIP3 5421 45.748 88.112 57.650 1.00 0.00 WT3 H ATOM 42636 H2 TIP3 5421 46.856 87.460 56.850 1.00 0.00 WT3 H ATOM 42637 OH2 TIP3 5422 31.965 56.221 9.530 1.00 0.00 WT3 O ATOM 42638 H1 TIP3 5422 32.595 56.787 9.977 1.00 0.00 WT3 H ATOM 42639 H2 TIP3 5422 31.123 56.433 9.932 1.00 0.00 WT3 H ATOM 42640 OH2 TIP3 5423 69.448 79.223 -15.889 1.00 0.00 WT3 O ATOM 42641 H1 TIP3 5423 69.794 78.357 -16.104 1.00 0.00 WT3 H ATOM 42642 H2 TIP3 5423 70.009 79.832 -16.368 1.00 0.00 WT3 H ATOM 42643 OH2 TIP3 5424 69.493 84.821 8.953 1.00 0.00 WT3 O ATOM 42644 H1 TIP3 5424 69.464 85.431 9.690 1.00 0.00 WT3 H ATOM 42645 H2 TIP3 5424 68.892 84.118 9.201 1.00 0.00 WT3 H ATOM 42646 OH2 TIP3 5426 31.146 82.317 -2.878 1.00 0.00 WT3 O ATOM 42647 H1 TIP3 5426 30.654 82.249 -3.697 1.00 0.00 WT3 H ATOM 42648 H2 TIP3 5426 31.505 81.441 -2.740 1.00 0.00 WT3 H ATOM 42649 OH2 TIP3 5427 46.049 24.917 56.497 1.00 0.00 WT3 O ATOM 42650 H1 TIP3 5427 45.784 24.084 56.107 1.00 0.00 WT3 H ATOM 42651 H2 TIP3 5427 46.223 25.488 55.749 1.00 0.00 WT3 H ATOM 42652 OH2 TIP3 5428 63.755 69.037 40.143 1.00 0.00 WT3 O ATOM 42653 H1 TIP3 5428 64.614 69.422 39.971 1.00 0.00 WT3 H ATOM 42654 H2 TIP3 5428 63.526 68.589 39.329 1.00 0.00 WT3 H ATOM 42655 OH2 TIP3 5429 78.855 62.629 25.987 1.00 0.00 WT3 O ATOM 42656 H1 TIP3 5429 78.353 63.080 25.308 1.00 0.00 WT3 H ATOM 42657 H2 TIP3 5429 79.724 63.028 25.947 1.00 0.00 WT3 H ATOM 42658 OH2 TIP3 5430 63.305 56.692 -18.824 1.00 0.00 WT3 O ATOM 42659 H1 TIP3 5430 62.876 56.606 -17.973 1.00 0.00 WT3 H ATOM 42660 H2 TIP3 5430 63.109 57.587 -19.102 1.00 0.00 WT3 H ATOM 42661 OH2 TIP3 5432 63.433 90.788 26.447 1.00 0.00 WT3 O ATOM 42662 H1 TIP3 5432 62.609 90.359 26.218 1.00 0.00 WT3 H ATOM 42663 H2 TIP3 5432 63.449 91.579 25.909 1.00 0.00 WT3 H ATOM 42664 OH2 TIP3 5434 62.307 32.248 61.500 1.00 0.00 WT3 O ATOM 42665 H1 TIP3 5434 61.828 33.033 61.234 1.00 0.00 WT3 H ATOM 42666 H2 TIP3 5434 61.767 31.521 61.188 1.00 0.00 WT3 H ATOM 42667 OH2 TIP3 5436 69.880 17.872 4.184 1.00 0.00 WT3 O ATOM 42668 H1 TIP3 5436 70.181 17.003 4.449 1.00 0.00 WT3 H ATOM 42669 H2 TIP3 5436 70.373 18.476 4.738 1.00 0.00 WT3 H ATOM 42670 OH2 TIP3 5437 27.803 79.557 33.251 1.00 0.00 WT3 O ATOM 42671 H1 TIP3 5437 27.155 79.493 32.550 1.00 0.00 WT3 H ATOM 42672 H2 TIP3 5437 27.842 78.676 33.624 1.00 0.00 WT3 H ATOM 42673 OH2 TIP3 5438 65.744 93.639 22.432 1.00 0.00 WT3 O ATOM 42674 H1 TIP3 5438 66.228 93.015 22.974 1.00 0.00 WT3 H ATOM 42675 H2 TIP3 5438 64.995 93.141 22.104 1.00 0.00 WT3 H ATOM 42676 OH2 TIP3 5440 60.988 55.735 -13.099 1.00 0.00 WT3 O ATOM 42677 H1 TIP3 5440 61.682 55.247 -13.542 1.00 0.00 WT3 H ATOM 42678 H2 TIP3 5440 60.472 55.063 -12.652 1.00 0.00 WT3 H ATOM 42679 OH2 TIP3 5441 83.975 65.743 40.075 1.00 0.00 WT3 O ATOM 42680 H1 TIP3 5441 84.558 65.320 40.706 1.00 0.00 WT3 H ATOM 42681 H2 TIP3 5441 84.234 65.380 39.228 1.00 0.00 WT3 H ATOM 42682 OH2 TIP3 5442 52.254 75.356 49.294 1.00 0.00 WT3 O ATOM 42683 H1 TIP3 5442 53.159 75.130 49.507 1.00 0.00 WT3 H ATOM 42684 H2 TIP3 5442 51.861 74.531 49.007 1.00 0.00 WT3 H ATOM 42685 OH2 TIP3 5443 73.466 48.331 47.127 1.00 0.00 WT3 O ATOM 42686 H1 TIP3 5443 73.023 47.746 46.513 1.00 0.00 WT3 H ATOM 42687 H2 TIP3 5443 73.009 48.199 47.958 1.00 0.00 WT3 H ATOM 42688 OH2 TIP3 5444 34.933 14.088 -10.588 1.00 0.00 WT3 O ATOM 42689 H1 TIP3 5444 34.882 13.604 -9.765 1.00 0.00 WT3 H ATOM 42690 H2 TIP3 5444 34.041 14.403 -10.738 1.00 0.00 WT3 H ATOM 42691 OH2 TIP3 5446 73.872 83.974 18.350 1.00 0.00 WT3 O ATOM 42692 H1 TIP3 5446 74.778 83.700 18.492 1.00 0.00 WT3 H ATOM 42693 H2 TIP3 5446 73.636 83.593 17.504 1.00 0.00 WT3 H ATOM 42694 OH2 TIP3 5447 83.870 57.836 -9.380 1.00 0.00 WT3 O ATOM 42695 H1 TIP3 5447 84.335 57.065 -9.705 1.00 0.00 WT3 H ATOM 42696 H2 TIP3 5447 84.097 57.880 -8.451 1.00 0.00 WT3 H ATOM 42697 OH2 TIP3 5448 55.213 9.698 -9.024 1.00 0.00 WT3 O ATOM 42698 H1 TIP3 5448 54.395 10.032 -9.393 1.00 0.00 WT3 H ATOM 42699 H2 TIP3 5448 55.344 8.854 -9.456 1.00 0.00 WT3 H ATOM 42700 OH2 TIP3 5449 85.710 74.885 39.440 1.00 0.00 WT3 O ATOM 42701 H1 TIP3 5449 86.495 74.346 39.540 1.00 0.00 WT3 H ATOM 42702 H2 TIP3 5449 86.038 75.736 39.151 1.00 0.00 WT3 H ATOM 42703 OH2 TIP3 5450 83.325 46.518 23.094 1.00 0.00 WT3 O ATOM 42704 H1 TIP3 5450 83.501 46.201 23.980 1.00 0.00 WT3 H ATOM 42705 H2 TIP3 5450 83.329 45.729 22.552 1.00 0.00 WT3 H ATOM 42706 OH2 TIP3 5451 72.187 24.725 56.847 1.00 0.00 WT3 O ATOM 42707 H1 TIP3 5451 71.822 24.283 56.081 1.00 0.00 WT3 H ATOM 42708 H2 TIP3 5451 72.523 25.555 56.508 1.00 0.00 WT3 H ATOM 42709 OH2 TIP3 5452 58.316 41.527 -19.931 1.00 0.00 WT3 O ATOM 42710 H1 TIP3 5452 57.647 42.071 -19.515 1.00 0.00 WT3 H ATOM 42711 H2 TIP3 5452 59.125 42.030 -19.843 1.00 0.00 WT3 H ATOM 42712 OH2 TIP3 5453 62.169 70.265 65.267 1.00 0.00 WT3 O ATOM 42713 H1 TIP3 5453 62.713 70.481 66.024 1.00 0.00 WT3 H ATOM 42714 H2 TIP3 5453 61.488 70.937 65.261 1.00 0.00 WT3 H ATOM 42715 OH2 TIP3 5455 29.770 69.027 -18.701 1.00 0.00 WT3 O ATOM 42716 H1 TIP3 5455 30.104 68.779 -19.563 1.00 0.00 WT3 H ATOM 42717 H2 TIP3 5455 29.670 68.197 -18.235 1.00 0.00 WT3 H ATOM 42718 OH2 TIP3 5456 48.288 18.065 2.901 1.00 0.00 WT3 O ATOM 42719 H1 TIP3 5456 48.241 17.828 3.827 1.00 0.00 WT3 H ATOM 42720 H2 TIP3 5456 47.758 18.860 2.829 1.00 0.00 WT3 H ATOM 42721 OH2 TIP3 5457 82.264 38.781 36.767 1.00 0.00 WT3 O ATOM 42722 H1 TIP3 5457 83.171 38.888 37.052 1.00 0.00 WT3 H ATOM 42723 H2 TIP3 5457 82.121 37.835 36.769 1.00 0.00 WT3 H ATOM 42724 OH2 TIP3 5458 62.080 46.433 53.121 1.00 0.00 WT3 O ATOM 42725 H1 TIP3 5458 62.609 46.294 53.907 1.00 0.00 WT3 H ATOM 42726 H2 TIP3 5458 61.684 45.580 52.944 1.00 0.00 WT3 H ATOM 42727 OH2 TIP3 5459 66.404 73.013 65.110 1.00 0.00 WT3 O ATOM 42728 H1 TIP3 5459 65.530 73.106 65.489 1.00 0.00 WT3 H ATOM 42729 H2 TIP3 5459 66.435 72.108 64.798 1.00 0.00 WT3 H ATOM 42730 OH2 TIP3 5460 60.112 73.327 1.421 1.00 0.00 WT3 O ATOM 42731 H1 TIP3 5460 59.368 72.741 1.289 1.00 0.00 WT3 H ATOM 42732 H2 TIP3 5460 60.485 73.057 2.260 1.00 0.00 WT3 H ATOM 42733 OH2 TIP3 5461 34.327 67.145 -17.757 1.00 0.00 WT3 O ATOM 42734 H1 TIP3 5461 35.030 67.251 -18.398 1.00 0.00 WT3 H ATOM 42735 H2 TIP3 5461 34.720 66.626 -17.054 1.00 0.00 WT3 H ATOM 42736 OH2 TIP3 5462 51.666 17.161 46.183 1.00 0.00 WT3 O ATOM 42737 H1 TIP3 5462 51.867 16.447 45.578 1.00 0.00 WT3 H ATOM 42738 H2 TIP3 5462 52.383 17.148 46.816 1.00 0.00 WT3 H ATOM 42739 OH2 TIP3 5463 72.350 71.988 16.417 1.00 0.00 WT3 O ATOM 42740 H1 TIP3 5463 71.895 72.227 15.609 1.00 0.00 WT3 H ATOM 42741 H2 TIP3 5463 71.820 72.373 17.114 1.00 0.00 WT3 H ATOM 42742 OH2 TIP3 5464 82.525 81.389 14.675 1.00 0.00 WT3 O ATOM 42743 H1 TIP3 5464 82.846 82.268 14.880 1.00 0.00 WT3 H ATOM 42744 H2 TIP3 5464 83.143 80.801 15.108 1.00 0.00 WT3 H ATOM 42745 OH2 TIP3 5465 51.842 26.230 42.564 1.00 0.00 WT3 O ATOM 42746 H1 TIP3 5465 51.884 25.847 41.688 1.00 0.00 WT3 H ATOM 42747 H2 TIP3 5465 52.737 26.166 42.897 1.00 0.00 WT3 H ATOM 42748 OH2 TIP3 5466 30.175 28.665 29.200 1.00 0.00 WT3 O ATOM 42749 H1 TIP3 5466 30.878 28.017 29.248 1.00 0.00 WT3 H ATOM 42750 H2 TIP3 5466 30.117 29.022 30.087 1.00 0.00 WT3 H ATOM 42751 OH2 TIP3 5469 80.276 38.881 -14.858 1.00 0.00 WT3 O ATOM 42752 H1 TIP3 5469 80.090 39.005 -13.927 1.00 0.00 WT3 H ATOM 42753 H2 TIP3 5469 79.536 39.290 -15.307 1.00 0.00 WT3 H ATOM 42754 OH2 TIP3 5470 62.895 75.868 -18.947 1.00 0.00 WT3 O ATOM 42755 H1 TIP3 5470 62.044 75.831 -18.509 1.00 0.00 WT3 H ATOM 42756 H2 TIP3 5470 63.350 76.596 -18.525 1.00 0.00 WT3 H ATOM 42757 OH2 TIP3 5471 48.399 77.384 53.841 1.00 0.00 WT3 O ATOM 42758 H1 TIP3 5471 48.680 78.167 54.314 1.00 0.00 WT3 H ATOM 42759 H2 TIP3 5471 49.025 76.708 54.104 1.00 0.00 WT3 H ATOM 42760 OH2 TIP3 5472 58.600 2.884 1.304 1.00 0.00 WT3 O ATOM 42761 H1 TIP3 5472 59.246 2.514 1.905 1.00 0.00 WT3 H ATOM 42762 H2 TIP3 5472 57.755 2.694 1.713 1.00 0.00 WT3 H ATOM 42763 OH2 TIP3 5473 54.823 85.212 24.603 1.00 0.00 WT3 O ATOM 42764 H1 TIP3 5473 55.104 85.984 24.112 1.00 0.00 WT3 H ATOM 42765 H2 TIP3 5473 53.936 85.037 24.287 1.00 0.00 WT3 H ATOM 42766 OH2 TIP3 5474 59.553 1.973 -13.079 1.00 0.00 WT3 O ATOM 42767 H1 TIP3 5474 59.789 1.482 -13.866 1.00 0.00 WT3 H ATOM 42768 H2 TIP3 5474 60.294 1.845 -12.486 1.00 0.00 WT3 H ATOM 42769 OH2 TIP3 5476 41.880 89.148 2.472 1.00 0.00 WT3 O ATOM 42770 H1 TIP3 5476 41.253 89.215 3.191 1.00 0.00 WT3 H ATOM 42771 H2 TIP3 5476 42.554 88.550 2.796 1.00 0.00 WT3 H ATOM 42772 OH2 TIP3 5477 50.448 68.836 47.742 1.00 0.00 WT3 O ATOM 42773 H1 TIP3 5477 51.096 68.135 47.665 1.00 0.00 WT3 H ATOM 42774 H2 TIP3 5477 49.716 68.435 48.210 1.00 0.00 WT3 H ATOM 42775 OH2 TIP3 5478 62.747 68.210 37.638 1.00 0.00 WT3 O ATOM 42776 H1 TIP3 5478 62.946 67.275 37.694 1.00 0.00 WT3 H ATOM 42777 H2 TIP3 5478 63.356 68.546 36.980 1.00 0.00 WT3 H ATOM 42778 OH2 TIP3 5479 89.848 59.572 -13.908 1.00 0.00 WT3 O ATOM 42779 H1 TIP3 5479 89.614 58.796 -13.398 1.00 0.00 WT3 H ATOM 42780 H2 TIP3 5479 90.025 60.246 -13.252 1.00 0.00 WT3 H ATOM 42781 OH2 TIP3 5480 66.231 70.194 28.459 1.00 0.00 WT3 O ATOM 42782 H1 TIP3 5480 66.610 70.089 27.587 1.00 0.00 WT3 H ATOM 42783 H2 TIP3 5480 65.390 69.740 28.412 1.00 0.00 WT3 H ATOM 42784 OH2 TIP3 5481 59.480 80.893 36.856 1.00 0.00 WT3 O ATOM 42785 H1 TIP3 5481 59.501 80.291 37.600 1.00 0.00 WT3 H ATOM 42786 H2 TIP3 5481 59.583 80.331 36.088 1.00 0.00 WT3 H ATOM 42787 OH2 TIP3 5482 65.132 25.949 61.271 1.00 0.00 WT3 O ATOM 42788 H1 TIP3 5482 64.602 26.666 60.920 1.00 0.00 WT3 H ATOM 42789 H2 TIP3 5482 64.804 25.168 60.825 1.00 0.00 WT3 H ATOM 42790 OH2 TIP3 5484 26.288 82.645 36.832 1.00 0.00 WT3 O ATOM 42791 H1 TIP3 5484 25.682 82.387 36.137 1.00 0.00 WT3 H ATOM 42792 H2 TIP3 5484 27.156 82.456 36.476 1.00 0.00 WT3 H ATOM 42793 OH2 TIP3 5485 87.342 75.767 -4.243 1.00 0.00 WT3 O ATOM 42794 H1 TIP3 5485 86.878 75.994 -3.437 1.00 0.00 WT3 H ATOM 42795 H2 TIP3 5485 87.728 74.910 -4.065 1.00 0.00 WT3 H ATOM 42796 OH2 TIP3 5487 73.675 31.580 31.990 1.00 0.00 WT3 O ATOM 42797 H1 TIP3 5487 74.513 31.729 31.551 1.00 0.00 WT3 H ATOM 42798 H2 TIP3 5487 73.576 32.329 32.578 1.00 0.00 WT3 H ATOM 42799 OH2 TIP3 5489 72.155 33.553 56.485 1.00 0.00 WT3 O ATOM 42800 H1 TIP3 5489 72.227 34.498 56.353 1.00 0.00 WT3 H ATOM 42801 H2 TIP3 5489 72.647 33.171 55.757 1.00 0.00 WT3 H ATOM 42802 OH2 TIP3 5490 36.593 11.220 37.300 1.00 0.00 WT3 O ATOM 42803 H1 TIP3 5490 37.144 11.418 36.543 1.00 0.00 WT3 H ATOM 42804 H2 TIP3 5490 36.070 12.011 37.429 1.00 0.00 WT3 H ATOM 42805 OH2 TIP3 5491 77.009 -0.123 -2.344 1.00 0.00 WT3 O ATOM 42806 H1 TIP3 5491 77.552 0.621 -2.084 1.00 0.00 WT3 H ATOM 42807 H2 TIP3 5491 76.126 0.239 -2.417 1.00 0.00 WT3 H ATOM 42808 OH2 TIP3 5492 42.777 51.125 61.710 1.00 0.00 WT3 O ATOM 42809 H1 TIP3 5492 42.692 51.719 62.455 1.00 0.00 WT3 H ATOM 42810 H2 TIP3 5492 42.214 51.505 61.035 1.00 0.00 WT3 H ATOM 42811 OH2 TIP3 5493 73.489 53.241 3.659 1.00 0.00 WT3 O ATOM 42812 H1 TIP3 5493 73.086 54.109 3.674 1.00 0.00 WT3 H ATOM 42813 H2 TIP3 5493 73.132 52.797 4.429 1.00 0.00 WT3 H ATOM 42814 OH2 TIP3 5494 86.766 86.723 8.780 1.00 0.00 WT3 O ATOM 42815 H1 TIP3 5494 86.045 87.287 9.060 1.00 0.00 WT3 H ATOM 42816 H2 TIP3 5494 87.419 86.805 9.476 1.00 0.00 WT3 H ATOM 42817 OH2 TIP3 5496 51.972 85.789 15.502 1.00 0.00 WT3 O ATOM 42818 H1 TIP3 5496 51.693 85.066 16.063 1.00 0.00 WT3 H ATOM 42819 H2 TIP3 5496 52.917 85.852 15.645 1.00 0.00 WT3 H ATOM 42820 OH2 TIP3 5497 86.183 2.422 -13.123 1.00 0.00 WT3 O ATOM 42821 H1 TIP3 5497 86.329 2.252 -14.054 1.00 0.00 WT3 H ATOM 42822 H2 TIP3 5497 85.557 1.751 -12.851 1.00 0.00 WT3 H ATOM 42823 OH2 TIP3 5498 56.756 22.530 28.424 1.00 0.00 WT3 O ATOM 42824 H1 TIP3 5498 57.057 23.060 27.686 1.00 0.00 WT3 H ATOM 42825 H2 TIP3 5498 55.820 22.407 28.266 1.00 0.00 WT3 H ATOM 42826 OH2 TIP3 5503 51.002 17.632 -4.999 1.00 0.00 WT3 O ATOM 42827 H1 TIP3 5503 50.657 18.179 -4.294 1.00 0.00 WT3 H ATOM 42828 H2 TIP3 5503 50.277 17.050 -5.228 1.00 0.00 WT3 H ATOM 42829 OH2 TIP3 5504 65.720 78.059 11.331 1.00 0.00 WT3 O ATOM 42830 H1 TIP3 5504 65.237 78.158 10.510 1.00 0.00 WT3 H ATOM 42831 H2 TIP3 5504 65.051 78.116 12.012 1.00 0.00 WT3 H ATOM 42832 OH2 TIP3 5505 29.375 1.235 36.796 1.00 0.00 WT3 O ATOM 42833 H1 TIP3 5505 29.087 1.042 35.904 1.00 0.00 WT3 H ATOM 42834 H2 TIP3 5505 29.799 0.429 37.091 1.00 0.00 WT3 H ATOM 42835 OH2 TIP3 5513 83.479 37.046 53.652 1.00 0.00 WT3 O ATOM 42836 H1 TIP3 5513 84.094 36.344 53.865 1.00 0.00 WT3 H ATOM 42837 H2 TIP3 5513 83.958 37.852 53.848 1.00 0.00 WT3 H ATOM 42838 OH2 TIP3 5514 80.744 1.142 46.483 1.00 0.00 WT3 O ATOM 42839 H1 TIP3 5514 81.375 0.425 46.542 1.00 0.00 WT3 H ATOM 42840 H2 TIP3 5514 80.875 1.505 45.607 1.00 0.00 WT3 H ATOM 42841 OH2 TIP3 5517 40.889 79.859 36.763 1.00 0.00 WT3 O ATOM 42842 H1 TIP3 5517 41.454 79.796 35.993 1.00 0.00 WT3 H ATOM 42843 H2 TIP3 5517 40.207 79.204 36.615 1.00 0.00 WT3 H ATOM 42844 OH2 TIP3 5518 33.518 37.933 50.557 1.00 0.00 WT3 O ATOM 42845 H1 TIP3 5518 34.177 38.616 50.428 1.00 0.00 WT3 H ATOM 42846 H2 TIP3 5518 32.694 38.410 50.655 1.00 0.00 WT3 H ATOM 42847 OH2 TIP3 5519 30.449 21.982 -5.513 1.00 0.00 WT3 O ATOM 42848 H1 TIP3 5519 29.567 21.965 -5.884 1.00 0.00 WT3 H ATOM 42849 H2 TIP3 5519 31.029 21.863 -6.265 1.00 0.00 WT3 H ATOM 42850 OH2 TIP3 5520 74.812 85.516 -19.828 1.00 0.00 WT3 O ATOM 42851 H1 TIP3 5520 74.557 85.953 -19.015 1.00 0.00 WT3 H ATOM 42852 H2 TIP3 5520 74.665 86.172 -20.509 1.00 0.00 WT3 H ATOM 42853 OH2 TIP3 5523 73.328 56.929 61.272 1.00 0.00 WT3 O ATOM 42854 H1 TIP3 5523 72.928 56.299 61.871 1.00 0.00 WT3 H ATOM 42855 H2 TIP3 5523 72.840 57.740 61.414 1.00 0.00 WT3 H ATOM 42856 OH2 TIP3 5526 30.274 55.603 23.316 1.00 0.00 WT3 O ATOM 42857 H1 TIP3 5526 29.921 55.145 22.553 1.00 0.00 WT3 H ATOM 42858 H2 TIP3 5526 31.145 55.891 23.042 1.00 0.00 WT3 H ATOM 42859 OH2 TIP3 5528 84.564 70.181 9.587 1.00 0.00 WT3 O ATOM 42860 H1 TIP3 5528 83.795 69.832 9.136 1.00 0.00 WT3 H ATOM 42861 H2 TIP3 5528 85.305 69.894 9.053 1.00 0.00 WT3 H ATOM 42862 OH2 TIP3 5529 76.226 40.531 18.833 1.00 0.00 WT3 O ATOM 42863 H1 TIP3 5529 77.007 40.317 18.322 1.00 0.00 WT3 H ATOM 42864 H2 TIP3 5529 75.495 40.346 18.244 1.00 0.00 WT3 H ATOM 42865 OH2 TIP3 5537 79.356 22.872 53.246 1.00 0.00 WT3 O ATOM 42866 H1 TIP3 5537 80.166 23.061 52.773 1.00 0.00 WT3 H ATOM 42867 H2 TIP3 5537 78.736 23.530 52.933 1.00 0.00 WT3 H ATOM 42868 OH2 TIP3 5538 84.705 64.437 -1.507 1.00 0.00 WT3 O ATOM 42869 H1 TIP3 5538 85.321 64.697 -0.822 1.00 0.00 WT3 H ATOM 42870 H2 TIP3 5538 85.243 64.350 -2.294 1.00 0.00 WT3 H ATOM 42871 OH2 TIP3 5544 74.670 9.438 51.372 1.00 0.00 WT3 O ATOM 42872 H1 TIP3 5544 73.836 9.850 51.145 1.00 0.00 WT3 H ATOM 42873 H2 TIP3 5544 75.333 10.079 51.119 1.00 0.00 WT3 H ATOM 42874 OH2 TIP3 5553 81.901 94.813 52.373 1.00 0.00 WT3 O ATOM 42875 H1 TIP3 5553 81.020 94.555 52.103 1.00 0.00 WT3 H ATOM 42876 H2 TIP3 5553 82.484 94.275 51.838 1.00 0.00 WT3 H ATOM 42877 OH2 TIP3 5561 54.881 48.058 42.825 1.00 0.00 WT3 O ATOM 42878 H1 TIP3 5561 55.282 47.241 43.122 1.00 0.00 WT3 H ATOM 42879 H2 TIP3 5561 54.843 47.975 41.872 1.00 0.00 WT3 H ATOM 42880 OH2 TIP3 5650 74.936 51.493 -15.100 1.00 0.00 WT3 O ATOM 42881 H1 TIP3 5650 74.569 51.622 -15.974 1.00 0.00 WT3 H ATOM 42882 H2 TIP3 5650 74.180 51.286 -14.551 1.00 0.00 WT3 H ATOM 42883 OH2 TIP3 5654 70.235 80.301 11.955 1.00 0.00 WT3 O ATOM 42884 H1 TIP3 5654 70.320 80.624 11.058 1.00 0.00 WT3 H ATOM 42885 H2 TIP3 5654 69.291 80.286 12.117 1.00 0.00 WT3 H ATOM 42886 OH2 TIP3 5669 88.780 52.830 58.457 1.00 0.00 WT3 O ATOM 42887 H1 TIP3 5669 89.591 53.260 58.729 1.00 0.00 WT3 H ATOM 42888 H2 TIP3 5669 88.944 52.557 57.555 1.00 0.00 WT3 H ATOM 42889 OH2 TIP3 5676 50.294 80.129 8.134 1.00 0.00 WT3 O ATOM 42890 H1 TIP3 5676 50.381 79.664 8.966 1.00 0.00 WT3 H ATOM 42891 H2 TIP3 5676 50.224 79.436 7.478 1.00 0.00 WT3 H ATOM 42892 OH2 TIP3 5678 22.129 37.946 57.433 1.00 0.00 WT3 O ATOM 42893 H1 TIP3 5678 21.407 37.394 57.131 1.00 0.00 WT3 H ATOM 42894 H2 TIP3 5678 22.913 37.417 57.287 1.00 0.00 WT3 H ATOM 42895 OH2 TIP3 5679 23.638 49.472 21.668 1.00 0.00 WT3 O ATOM 42896 H1 TIP3 5679 23.961 50.251 22.122 1.00 0.00 WT3 H ATOM 42897 H2 TIP3 5679 24.402 48.900 21.600 1.00 0.00 WT3 H ATOM 42898 OH2 TIP3 5690 36.566 70.403 19.326 1.00 0.00 WT3 O ATOM 42899 H1 TIP3 5690 37.244 70.334 19.999 1.00 0.00 WT3 H ATOM 42900 H2 TIP3 5690 37.037 70.296 18.499 1.00 0.00 WT3 H ATOM 42901 OH2 TIP3 5691 29.469 74.924 38.419 1.00 0.00 WT3 O ATOM 42902 H1 TIP3 5691 30.109 74.572 37.801 1.00 0.00 WT3 H ATOM 42903 H2 TIP3 5691 29.649 75.864 38.442 1.00 0.00 WT3 H ATOM 42904 OH2 TIP3 5692 80.387 71.574 20.492 1.00 0.00 WT3 O ATOM 42905 H1 TIP3 5692 80.898 71.981 21.192 1.00 0.00 WT3 H ATOM 42906 H2 TIP3 5692 79.860 70.909 20.936 1.00 0.00 WT3 H ATOM 42907 OH2 TIP3 5697 46.101 45.446 50.175 1.00 0.00 WT3 O ATOM 42908 H1 TIP3 5697 46.550 44.665 50.497 1.00 0.00 WT3 H ATOM 42909 H2 TIP3 5697 46.293 45.464 49.237 1.00 0.00 WT3 H ATOM 42910 OH2 TIP3 5706 21.868 82.205 -7.546 1.00 0.00 WT3 O ATOM 42911 H1 TIP3 5706 21.076 82.474 -7.080 1.00 0.00 WT3 H ATOM 42912 H2 TIP3 5706 22.558 82.765 -7.190 1.00 0.00 WT3 H ATOM 42913 OH2 TIP3 5710 34.128 69.696 -0.577 1.00 0.00 WT3 O ATOM 42914 H1 TIP3 5710 34.351 70.524 -1.002 1.00 0.00 WT3 H ATOM 42915 H2 TIP3 5710 34.946 69.199 -0.575 1.00 0.00 WT3 H ATOM 42916 OH2 TIP3 5711 80.439 3.609 -8.201 1.00 0.00 WT3 O ATOM 42917 H1 TIP3 5711 79.626 3.507 -8.697 1.00 0.00 WT3 H ATOM 42918 H2 TIP3 5711 80.176 4.067 -7.402 1.00 0.00 WT3 H ATOM 42919 OH2 TIP3 5714 27.184 31.024 25.148 1.00 0.00 WT3 O ATOM 42920 H1 TIP3 5714 26.624 30.428 25.646 1.00 0.00 WT3 H ATOM 42921 H2 TIP3 5714 28.045 30.606 25.155 1.00 0.00 WT3 H ATOM 42922 OH2 TIP3 5715 48.802 53.783 -14.260 1.00 0.00 WT3 O ATOM 42923 H1 TIP3 5715 49.121 53.057 -14.798 1.00 0.00 WT3 H ATOM 42924 H2 TIP3 5715 49.456 53.874 -13.568 1.00 0.00 WT3 H ATOM 42925 OH2 TIP3 5720 68.332 40.284 25.830 1.00 0.00 WT3 O ATOM 42926 H1 TIP3 5720 67.385 40.418 25.801 1.00 0.00 WT3 H ATOM 42927 H2 TIP3 5720 68.554 39.945 24.963 1.00 0.00 WT3 H ATOM 42928 OH2 TIP3 5723 31.991 96.101 -15.549 1.00 0.00 WT3 O ATOM 42929 H1 TIP3 5723 31.627 95.374 -16.054 1.00 0.00 WT3 H ATOM 42930 H2 TIP3 5723 31.608 96.003 -14.677 1.00 0.00 WT3 H ATOM 42931 OH2 TIP3 5727 44.296 88.118 34.430 1.00 0.00 WT3 O ATOM 42932 H1 TIP3 5727 44.716 87.278 34.243 1.00 0.00 WT3 H ATOM 42933 H2 TIP3 5727 44.208 88.136 35.383 1.00 0.00 WT3 H ATOM 42934 OH2 TIP3 5733 77.146 63.027 41.628 1.00 0.00 WT3 O ATOM 42935 H1 TIP3 5733 76.443 63.302 41.040 1.00 0.00 WT3 H ATOM 42936 H2 TIP3 5733 76.716 62.459 42.268 1.00 0.00 WT3 H ATOM 42937 OH2 TIP3 5734 33.391 36.064 -0.977 1.00 0.00 WT3 O ATOM 42938 H1 TIP3 5734 33.630 35.831 -0.080 1.00 0.00 WT3 H ATOM 42939 H2 TIP3 5734 34.228 36.171 -1.429 1.00 0.00 WT3 H ATOM 42940 OH2 TIP3 5736 73.161 66.780 19.959 1.00 0.00 WT3 O ATOM 42941 H1 TIP3 5736 72.606 66.266 20.546 1.00 0.00 WT3 H ATOM 42942 H2 TIP3 5736 73.828 67.160 20.532 1.00 0.00 WT3 H ATOM 42943 OH2 TIP3 5738 53.182 54.992 -5.453 1.00 0.00 WT3 O ATOM 42944 H1 TIP3 5738 53.696 55.618 -4.943 1.00 0.00 WT3 H ATOM 42945 H2 TIP3 5738 52.845 54.373 -4.804 1.00 0.00 WT3 H ATOM 42946 OH2 TIP3 5744 84.317 53.199 62.636 1.00 0.00 WT3 O ATOM 42947 H1 TIP3 5744 83.733 52.975 63.360 1.00 0.00 WT3 H ATOM 42948 H2 TIP3 5744 83.755 53.642 62.001 1.00 0.00 WT3 H ATOM 42949 OH2 TIP3 5749 27.455 84.881 39.473 1.00 0.00 WT3 O ATOM 42950 H1 TIP3 5749 28.180 84.650 38.892 1.00 0.00 WT3 H ATOM 42951 H2 TIP3 5749 26.878 84.117 39.451 1.00 0.00 WT3 H ATOM 42952 OH2 TIP3 5750 45.143 95.628 -16.989 1.00 0.00 WT3 O ATOM 42953 H1 TIP3 5750 45.373 96.269 -16.316 1.00 0.00 WT3 H ATOM 42954 H2 TIP3 5750 44.206 95.477 -16.867 1.00 0.00 WT3 H ATOM 42955 OH2 TIP3 5753 78.238 53.600 25.354 1.00 0.00 WT3 O ATOM 42956 H1 TIP3 5753 77.908 53.779 26.234 1.00 0.00 WT3 H ATOM 42957 H2 TIP3 5753 79.016 53.061 25.494 1.00 0.00 WT3 H ATOM 42958 OH2 TIP3 5754 63.134 24.892 5.827 1.00 0.00 WT3 O ATOM 42959 H1 TIP3 5754 62.203 24.978 5.625 1.00 0.00 WT3 H ATOM 42960 H2 TIP3 5754 63.455 24.239 5.204 1.00 0.00 WT3 H ATOM 42961 OH2 TIP3 5755 69.407 72.433 27.628 1.00 0.00 WT3 O ATOM 42962 H1 TIP3 5755 69.070 73.062 28.266 1.00 0.00 WT3 H ATOM 42963 H2 TIP3 5755 68.629 71.976 27.308 1.00 0.00 WT3 H ATOM 42964 OH2 TIP3 5756 23.209 87.208 -15.499 1.00 0.00 WT3 O ATOM 42965 H1 TIP3 5756 22.487 86.917 -14.942 1.00 0.00 WT3 H ATOM 42966 H2 TIP3 5756 23.721 86.416 -15.661 1.00 0.00 WT3 H ATOM 42967 OH2 TIP3 5757 23.693 23.834 -3.442 1.00 0.00 WT3 O ATOM 42968 H1 TIP3 5757 23.784 24.654 -3.926 1.00 0.00 WT3 H ATOM 42969 H2 TIP3 5757 24.553 23.692 -3.047 1.00 0.00 WT3 H ATOM 42970 OH2 TIP3 5758 88.573 71.012 9.279 1.00 0.00 WT3 O ATOM 42971 H1 TIP3 5758 89.301 71.501 9.661 1.00 0.00 WT3 H ATOM 42972 H2 TIP3 5758 87.876 71.068 9.933 1.00 0.00 WT3 H ATOM 42973 OH2 TIP3 5764 80.300 60.976 62.349 1.00 0.00 WT3 O ATOM 42974 H1 TIP3 5764 80.245 60.594 61.473 1.00 0.00 WT3 H ATOM 42975 H2 TIP3 5764 79.875 60.335 62.918 1.00 0.00 WT3 H ATOM 42976 OH2 TIP3 5768 28.477 34.441 28.973 1.00 0.00 WT3 O ATOM 42977 H1 TIP3 5768 28.256 33.892 28.221 1.00 0.00 WT3 H ATOM 42978 H2 TIP3 5768 28.021 35.267 28.810 1.00 0.00 WT3 H ATOM 42979 OH2 TIP3 5772 35.522 74.954 20.947 1.00 0.00 WT3 O ATOM 42980 H1 TIP3 5772 36.433 74.665 21.008 1.00 0.00 WT3 H ATOM 42981 H2 TIP3 5772 35.130 74.375 20.292 1.00 0.00 WT3 H ATOM 42982 OH2 TIP3 5774 51.355 39.818 -19.444 1.00 0.00 WT3 O ATOM 42983 H1 TIP3 5774 52.310 39.823 -19.504 1.00 0.00 WT3 H ATOM 42984 H2 TIP3 5774 51.162 40.321 -18.653 1.00 0.00 WT3 H ATOM 42985 OH2 TIP3 5776 63.364 75.898 -6.698 1.00 0.00 WT3 O ATOM 42986 H1 TIP3 5776 63.133 76.689 -6.212 1.00 0.00 WT3 H ATOM 42987 H2 TIP3 5776 63.973 76.199 -7.372 1.00 0.00 WT3 H ATOM 42988 OH2 TIP3 5777 50.763 71.291 55.084 1.00 0.00 WT3 O ATOM 42989 H1 TIP3 5777 50.051 70.776 54.704 1.00 0.00 WT3 H ATOM 42990 H2 TIP3 5777 50.324 71.929 55.647 1.00 0.00 WT3 H ATOM 42991 OH2 TIP3 5778 28.812 8.151 -7.875 1.00 0.00 WT3 O ATOM 42992 H1 TIP3 5778 28.244 8.519 -8.551 1.00 0.00 WT3 H ATOM 42993 H2 TIP3 5778 29.534 8.775 -7.802 1.00 0.00 WT3 H ATOM 42994 OH2 TIP3 5779 90.068 23.825 8.713 1.00 0.00 WT3 O ATOM 42995 H1 TIP3 5779 89.768 24.682 8.412 1.00 0.00 WT3 H ATOM 42996 H2 TIP3 5779 90.931 23.719 8.312 1.00 0.00 WT3 H ATOM 42997 OH2 TIP3 5780 69.287 38.024 29.606 1.00 0.00 WT3 O ATOM 42998 H1 TIP3 5780 69.940 37.368 29.363 1.00 0.00 WT3 H ATOM 42999 H2 TIP3 5780 69.568 38.821 29.156 1.00 0.00 WT3 H ATOM 43000 OH2 TIP3 5781 83.435 85.314 49.371 1.00 0.00 WT3 O ATOM 43001 H1 TIP3 5781 83.938 85.821 48.735 1.00 0.00 WT3 H ATOM 43002 H2 TIP3 5781 82.534 85.352 49.050 1.00 0.00 WT3 H ATOM 43003 OH2 TIP3 5782 30.272 29.943 9.644 1.00 0.00 WT3 O ATOM 43004 H1 TIP3 5782 29.946 30.428 10.402 1.00 0.00 WT3 H ATOM 43005 H2 TIP3 5782 30.379 30.607 8.963 1.00 0.00 WT3 H ATOM 43006 OH2 TIP3 5787 56.685 66.035 16.512 1.00 0.00 WT3 O ATOM 43007 H1 TIP3 5787 56.526 65.172 16.130 1.00 0.00 WT3 H ATOM 43008 H2 TIP3 5787 57.332 66.438 15.933 1.00 0.00 WT3 H ATOM 43009 OH2 TIP3 5790 63.740 66.338 28.830 1.00 0.00 WT3 O ATOM 43010 H1 TIP3 5790 63.060 66.092 28.202 1.00 0.00 WT3 H ATOM 43011 H2 TIP3 5790 63.395 66.059 29.678 1.00 0.00 WT3 H ATOM 43012 OH2 TIP3 5795 55.177 84.502 12.718 1.00 0.00 WT3 O ATOM 43013 H1 TIP3 5795 55.530 84.176 11.890 1.00 0.00 WT3 H ATOM 43014 H2 TIP3 5795 54.243 84.293 12.679 1.00 0.00 WT3 H ATOM 43015 OH2 TIP3 5797 89.433 16.676 -2.237 1.00 0.00 WT3 O ATOM 43016 H1 TIP3 5797 89.278 15.988 -1.590 1.00 0.00 WT3 H ATOM 43017 H2 TIP3 5797 89.880 16.232 -2.957 1.00 0.00 WT3 H ATOM 43018 OH2 TIP3 5798 62.567 20.457 -5.957 1.00 0.00 WT3 O ATOM 43019 H1 TIP3 5798 62.295 19.732 -6.520 1.00 0.00 WT3 H ATOM 43020 H2 TIP3 5798 62.236 21.240 -6.398 1.00 0.00 WT3 H ATOM 43021 OH2 TIP3 5799 51.304 89.666 61.436 1.00 0.00 WT3 O ATOM 43022 H1 TIP3 5799 51.444 90.037 60.565 1.00 0.00 WT3 H ATOM 43023 H2 TIP3 5799 52.173 89.660 61.837 1.00 0.00 WT3 H ATOM 43024 OH2 TIP3 5800 85.706 35.544 -8.401 1.00 0.00 WT3 O ATOM 43025 H1 TIP3 5800 84.849 35.736 -8.021 1.00 0.00 WT3 H ATOM 43026 H2 TIP3 5800 86.333 35.860 -7.751 1.00 0.00 WT3 H ATOM 43027 OH2 TIP3 5801 65.261 74.078 14.141 1.00 0.00 WT3 O ATOM 43028 H1 TIP3 5801 65.306 73.123 14.188 1.00 0.00 WT3 H ATOM 43029 H2 TIP3 5801 64.375 74.290 14.437 1.00 0.00 WT3 H ATOM 43030 OH2 TIP3 5802 67.858 7.294 11.992 1.00 0.00 WT3 O ATOM 43031 H1 TIP3 5802 67.082 7.390 12.545 1.00 0.00 WT3 H ATOM 43032 H2 TIP3 5802 68.595 7.376 12.597 1.00 0.00 WT3 H ATOM 43033 OH2 TIP3 5803 48.648 65.297 2.680 1.00 0.00 WT3 O ATOM 43034 H1 TIP3 5803 48.365 64.799 3.447 1.00 0.00 WT3 H ATOM 43035 H2 TIP3 5803 49.559 65.524 2.865 1.00 0.00 WT3 H ATOM 43036 OH2 TIP3 5808 81.935 28.552 32.532 1.00 0.00 WT3 O ATOM 43037 H1 TIP3 5808 81.724 29.468 32.714 1.00 0.00 WT3 H ATOM 43038 H2 TIP3 5808 82.765 28.588 32.055 1.00 0.00 WT3 H ATOM 43039 OH2 TIP3 5809 63.156 2.294 21.597 1.00 0.00 WT3 O ATOM 43040 H1 TIP3 5809 63.326 2.101 22.519 1.00 0.00 WT3 H ATOM 43041 H2 TIP3 5809 63.071 3.247 21.563 1.00 0.00 WT3 H ATOM 43042 OH2 TIP3 5810 70.573 24.515 40.148 1.00 0.00 WT3 O ATOM 43043 H1 TIP3 5810 70.174 23.908 40.771 1.00 0.00 WT3 H ATOM 43044 H2 TIP3 5810 70.747 23.983 39.372 1.00 0.00 WT3 H ATOM 43045 OH2 TIP3 5812 80.728 89.263 17.776 1.00 0.00 WT3 O ATOM 43046 H1 TIP3 5812 80.865 88.466 18.288 1.00 0.00 WT3 H ATOM 43047 H2 TIP3 5812 80.307 89.870 18.385 1.00 0.00 WT3 H ATOM 43048 OH2 TIP3 5813 76.109 66.759 51.192 1.00 0.00 WT3 O ATOM 43049 H1 TIP3 5813 75.878 66.790 50.263 1.00 0.00 WT3 H ATOM 43050 H2 TIP3 5813 76.857 66.164 51.234 1.00 0.00 WT3 H ATOM 43051 OH2 TIP3 5814 71.139 45.143 -2.997 1.00 0.00 WT3 O ATOM 43052 H1 TIP3 5814 71.519 45.816 -2.430 1.00 0.00 WT3 H ATOM 43053 H2 TIP3 5814 70.212 45.126 -2.761 1.00 0.00 WT3 H ATOM 43054 OH2 TIP3 5815 46.572 0.590 50.278 1.00 0.00 WT3 O ATOM 43055 H1 TIP3 5815 47.123 1.043 50.916 1.00 0.00 WT3 H ATOM 43056 H2 TIP3 5815 47.089 -0.170 50.011 1.00 0.00 WT3 H ATOM 43057 OH2 TIP3 5816 66.212 61.293 26.868 1.00 0.00 WT3 O ATOM 43058 H1 TIP3 5816 65.692 60.526 27.105 1.00 0.00 WT3 H ATOM 43059 H2 TIP3 5816 65.589 61.885 26.447 1.00 0.00 WT3 H ATOM 43060 OH2 TIP3 5817 69.644 55.479 34.031 1.00 0.00 WT3 O ATOM 43061 H1 TIP3 5817 68.977 55.264 33.379 1.00 0.00 WT3 H ATOM 43062 H2 TIP3 5817 70.460 55.524 33.532 1.00 0.00 WT3 H ATOM 43063 OH2 TIP3 5818 35.057 10.782 47.308 1.00 0.00 WT3 O ATOM 43064 H1 TIP3 5818 35.010 10.673 48.258 1.00 0.00 WT3 H ATOM 43065 H2 TIP3 5818 35.980 10.645 47.095 1.00 0.00 WT3 H ATOM 43066 OH2 TIP3 5819 43.391 80.680 8.574 1.00 0.00 WT3 O ATOM 43067 H1 TIP3 5819 44.311 80.889 8.416 1.00 0.00 WT3 H ATOM 43068 H2 TIP3 5819 43.334 80.538 9.519 1.00 0.00 WT3 H ATOM 43069 OH2 TIP3 5820 74.950 77.829 60.246 1.00 0.00 WT3 O ATOM 43070 H1 TIP3 5820 75.644 77.197 60.058 1.00 0.00 WT3 H ATOM 43071 H2 TIP3 5820 74.138 77.334 60.135 1.00 0.00 WT3 H ATOM 43072 OH2 TIP3 5821 30.350 53.987 15.749 1.00 0.00 WT3 O ATOM 43073 H1 TIP3 5821 30.240 53.188 15.233 1.00 0.00 WT3 H ATOM 43074 H2 TIP3 5821 31.254 54.255 15.586 1.00 0.00 WT3 H ATOM 43075 OH2 TIP3 5823 35.753 67.913 13.827 1.00 0.00 WT3 O ATOM 43076 H1 TIP3 5823 36.390 68.110 14.514 1.00 0.00 WT3 H ATOM 43077 H2 TIP3 5823 36.071 68.391 13.061 1.00 0.00 WT3 H ATOM 43078 OH2 TIP3 5827 60.439 1.955 20.896 1.00 0.00 WT3 O ATOM 43079 H1 TIP3 5827 60.165 1.247 21.480 1.00 0.00 WT3 H ATOM 43080 H2 TIP3 5827 61.364 2.092 21.103 1.00 0.00 WT3 H ATOM 43081 OH2 TIP3 5828 84.678 72.883 47.050 1.00 0.00 WT3 O ATOM 43082 H1 TIP3 5828 84.562 73.760 47.414 1.00 0.00 WT3 H ATOM 43083 H2 TIP3 5828 84.842 72.327 47.811 1.00 0.00 WT3 H ATOM 43084 OH2 TIP3 5829 54.584 91.762 -3.247 1.00 0.00 WT3 O ATOM 43085 H1 TIP3 5829 53.778 91.283 -3.440 1.00 0.00 WT3 H ATOM 43086 H2 TIP3 5829 54.379 92.268 -2.461 1.00 0.00 WT3 H ATOM 43087 OH2 TIP3 5830 56.396 74.216 30.030 1.00 0.00 WT3 O ATOM 43088 H1 TIP3 5830 55.873 73.847 29.318 1.00 0.00 WT3 H ATOM 43089 H2 TIP3 5830 55.872 74.064 30.816 1.00 0.00 WT3 H ATOM 43090 OH2 TIP3 5832 90.267 88.478 12.435 1.00 0.00 WT3 O ATOM 43091 H1 TIP3 5832 90.902 87.883 12.835 1.00 0.00 WT3 H ATOM 43092 H2 TIP3 5832 90.296 89.263 12.983 1.00 0.00 WT3 H ATOM 43093 OH2 TIP3 5835 46.993 81.675 53.259 1.00 0.00 WT3 O ATOM 43094 H1 TIP3 5835 47.322 81.631 52.361 1.00 0.00 WT3 H ATOM 43095 H2 TIP3 5835 47.330 80.883 53.677 1.00 0.00 WT3 H ATOM 43096 OH2 TIP3 5836 42.615 18.302 64.933 1.00 0.00 WT3 O ATOM 43097 H1 TIP3 5836 42.681 17.790 65.739 1.00 0.00 WT3 H ATOM 43098 H2 TIP3 5836 41.868 17.924 64.469 1.00 0.00 WT3 H ATOM 43099 OH2 TIP3 5837 40.031 73.571 -7.404 1.00 0.00 WT3 O ATOM 43100 H1 TIP3 5837 40.205 72.952 -6.694 1.00 0.00 WT3 H ATOM 43101 H2 TIP3 5837 39.324 73.166 -7.907 1.00 0.00 WT3 H ATOM 43102 OH2 TIP3 5838 84.206 30.999 48.387 1.00 0.00 WT3 O ATOM 43103 H1 TIP3 5838 84.318 30.796 47.458 1.00 0.00 WT3 H ATOM 43104 H2 TIP3 5838 85.060 31.330 48.665 1.00 0.00 WT3 H ATOM 43105 OH2 TIP3 5839 75.625 26.567 57.811 1.00 0.00 WT3 O ATOM 43106 H1 TIP3 5839 76.148 25.837 57.481 1.00 0.00 WT3 H ATOM 43107 H2 TIP3 5839 75.471 26.355 58.732 1.00 0.00 WT3 H ATOM 43108 OH2 TIP3 5840 62.609 66.302 52.543 1.00 0.00 WT3 O ATOM 43109 H1 TIP3 5840 62.431 65.363 52.585 1.00 0.00 WT3 H ATOM 43110 H2 TIP3 5840 61.776 66.693 52.279 1.00 0.00 WT3 H ATOM 43111 OH2 TIP3 5841 71.157 47.606 -5.272 1.00 0.00 WT3 O ATOM 43112 H1 TIP3 5841 70.967 46.669 -5.321 1.00 0.00 WT3 H ATOM 43113 H2 TIP3 5841 71.034 47.828 -4.349 1.00 0.00 WT3 H ATOM 43114 OH2 TIP3 5842 75.770 79.431 -17.091 1.00 0.00 WT3 O ATOM 43115 H1 TIP3 5842 74.901 79.030 -17.069 1.00 0.00 WT3 H ATOM 43116 H2 TIP3 5842 76.102 79.333 -16.198 1.00 0.00 WT3 H ATOM 43117 OH2 TIP3 5843 45.191 85.558 62.538 1.00 0.00 WT3 O ATOM 43118 H1 TIP3 5843 45.889 86.192 62.373 1.00 0.00 WT3 H ATOM 43119 H2 TIP3 5843 45.618 84.705 62.457 1.00 0.00 WT3 H ATOM 43120 OH2 TIP3 5844 68.881 19.954 20.925 1.00 0.00 WT3 O ATOM 43121 H1 TIP3 5844 68.113 19.940 20.354 1.00 0.00 WT3 H ATOM 43122 H2 TIP3 5844 69.490 19.334 20.525 1.00 0.00 WT3 H ATOM 43123 OH2 TIP3 5845 63.007 52.184 -18.186 1.00 0.00 WT3 O ATOM 43124 H1 TIP3 5845 63.144 52.724 -18.965 1.00 0.00 WT3 H ATOM 43125 H2 TIP3 5845 62.547 52.759 -17.575 1.00 0.00 WT3 H ATOM 43126 OH2 TIP3 5846 84.751 49.177 51.800 1.00 0.00 WT3 O ATOM 43127 H1 TIP3 5846 84.742 49.898 52.428 1.00 0.00 WT3 H ATOM 43128 H2 TIP3 5846 84.052 48.593 52.093 1.00 0.00 WT3 H ATOM 43129 OH2 TIP3 5848 75.496 61.686 -1.377 1.00 0.00 WT3 O ATOM 43130 H1 TIP3 5848 74.550 61.611 -1.502 1.00 0.00 WT3 H ATOM 43131 H2 TIP3 5848 75.787 60.790 -1.209 1.00 0.00 WT3 H ATOM 43132 OH2 TIP3 5850 45.152 40.280 -17.733 1.00 0.00 WT3 O ATOM 43133 H1 TIP3 5850 44.952 40.160 -16.805 1.00 0.00 WT3 H ATOM 43134 H2 TIP3 5850 45.585 41.132 -17.778 1.00 0.00 WT3 H ATOM 43135 OH2 TIP3 5851 40.089 6.684 13.834 1.00 0.00 WT3 O ATOM 43136 H1 TIP3 5851 39.630 7.120 14.551 1.00 0.00 WT3 H ATOM 43137 H2 TIP3 5851 41.016 6.769 14.055 1.00 0.00 WT3 H ATOM 43138 OH2 TIP3 5853 29.824 61.504 -9.464 1.00 0.00 WT3 O ATOM 43139 H1 TIP3 5853 30.350 61.256 -8.703 1.00 0.00 WT3 H ATOM 43140 H2 TIP3 5853 29.111 60.865 -9.480 1.00 0.00 WT3 H ATOM 43141 OH2 TIP3 5854 50.769 68.401 56.736 1.00 0.00 WT3 O ATOM 43142 H1 TIP3 5854 49.819 68.388 56.617 1.00 0.00 WT3 H ATOM 43143 H2 TIP3 5854 51.116 67.992 55.944 1.00 0.00 WT3 H ATOM 43144 OH2 TIP3 5855 48.181 84.420 42.506 1.00 0.00 WT3 O ATOM 43145 H1 TIP3 5855 48.652 83.846 41.901 1.00 0.00 WT3 H ATOM 43146 H2 TIP3 5855 48.290 84.006 43.362 1.00 0.00 WT3 H ATOM 43147 OH2 TIP3 5856 58.205 7.344 16.969 1.00 0.00 WT3 O ATOM 43148 H1 TIP3 5856 57.651 6.564 16.987 1.00 0.00 WT3 H ATOM 43149 H2 TIP3 5856 57.611 8.065 17.175 1.00 0.00 WT3 H ATOM 43150 OH2 TIP3 5857 35.824 92.161 28.530 1.00 0.00 WT3 O ATOM 43151 H1 TIP3 5857 36.301 91.381 28.246 1.00 0.00 WT3 H ATOM 43152 H2 TIP3 5857 36.487 92.704 28.959 1.00 0.00 WT3 H ATOM 43153 OH2 TIP3 5858 43.073 78.986 63.665 1.00 0.00 WT3 O ATOM 43154 H1 TIP3 5858 42.458 79.439 64.242 1.00 0.00 WT3 H ATOM 43155 H2 TIP3 5858 43.936 79.274 63.960 1.00 0.00 WT3 H ATOM 43156 OH2 TIP3 5859 28.052 75.483 36.053 1.00 0.00 WT3 O ATOM 43157 H1 TIP3 5859 27.285 75.583 36.616 1.00 0.00 WT3 H ATOM 43158 H2 TIP3 5859 28.784 75.374 36.660 1.00 0.00 WT3 H ATOM 43159 OH2 TIP3 5860 30.865 86.561 8.422 1.00 0.00 WT3 O ATOM 43160 H1 TIP3 5860 30.794 85.608 8.356 1.00 0.00 WT3 H ATOM 43161 H2 TIP3 5860 30.710 86.749 9.348 1.00 0.00 WT3 H ATOM 43162 OH2 TIP3 5861 71.992 63.980 -4.016 1.00 0.00 WT3 O ATOM 43163 H1 TIP3 5861 72.483 63.273 -3.597 1.00 0.00 WT3 H ATOM 43164 H2 TIP3 5861 71.074 63.732 -3.905 1.00 0.00 WT3 H ATOM 43165 OH2 TIP3 5862 77.700 82.484 2.666 1.00 0.00 WT3 O ATOM 43166 H1 TIP3 5862 76.863 82.893 2.445 1.00 0.00 WT3 H ATOM 43167 H2 TIP3 5862 77.896 82.802 3.548 1.00 0.00 WT3 H ATOM 43168 OH2 TIP3 5863 42.198 18.196 -4.027 1.00 0.00 WT3 O ATOM 43169 H1 TIP3 5863 42.357 17.253 -3.994 1.00 0.00 WT3 H ATOM 43170 H2 TIP3 5863 41.247 18.276 -4.099 1.00 0.00 WT3 H ATOM 43171 OH2 TIP3 5864 71.367 57.075 8.065 1.00 0.00 WT3 O ATOM 43172 H1 TIP3 5864 70.635 57.573 7.700 1.00 0.00 WT3 H ATOM 43173 H2 TIP3 5864 71.199 57.057 9.007 1.00 0.00 WT3 H ATOM 43174 OH2 TIP3 5865 74.480 64.434 -0.958 1.00 0.00 WT3 O ATOM 43175 H1 TIP3 5865 75.109 63.715 -0.897 1.00 0.00 WT3 H ATOM 43176 H2 TIP3 5865 73.735 64.148 -0.430 1.00 0.00 WT3 H ATOM 43177 OH2 TIP3 5866 71.109 95.126 5.408 1.00 0.00 WT3 O ATOM 43178 H1 TIP3 5866 70.804 94.219 5.438 1.00 0.00 WT3 H ATOM 43179 H2 TIP3 5866 70.310 95.650 5.460 1.00 0.00 WT3 H ATOM 43180 OH2 TIP3 5868 50.188 67.894 13.021 1.00 0.00 WT3 O ATOM 43181 H1 TIP3 5868 50.726 67.336 13.583 1.00 0.00 WT3 H ATOM 43182 H2 TIP3 5868 50.193 68.747 13.456 1.00 0.00 WT3 H ATOM 43183 OH2 TIP3 5870 53.458 18.135 -1.649 1.00 0.00 WT3 O ATOM 43184 H1 TIP3 5870 54.080 18.853 -1.526 1.00 0.00 WT3 H ATOM 43185 H2 TIP3 5870 52.801 18.487 -2.250 1.00 0.00 WT3 H ATOM 43186 OH2 TIP3 5871 30.087 5.252 11.549 1.00 0.00 WT3 O ATOM 43187 H1 TIP3 5871 30.491 5.956 12.057 1.00 0.00 WT3 H ATOM 43188 H2 TIP3 5871 30.314 4.453 12.025 1.00 0.00 WT3 H ATOM 43189 OH2 TIP3 5872 65.756 70.674 -8.810 1.00 0.00 WT3 O ATOM 43190 H1 TIP3 5872 64.866 70.464 -9.091 1.00 0.00 WT3 H ATOM 43191 H2 TIP3 5872 65.839 71.616 -8.960 1.00 0.00 WT3 H ATOM 43192 OH2 TIP3 5874 67.493 91.763 57.073 1.00 0.00 WT3 O ATOM 43193 H1 TIP3 5874 66.960 91.495 57.821 1.00 0.00 WT3 H ATOM 43194 H2 TIP3 5874 68.110 91.042 56.947 1.00 0.00 WT3 H ATOM 43195 OH2 TIP3 5875 48.453 80.887 -6.484 1.00 0.00 WT3 O ATOM 43196 H1 TIP3 5875 48.902 80.817 -5.641 1.00 0.00 WT3 H ATOM 43197 H2 TIP3 5875 48.805 80.164 -7.003 1.00 0.00 WT3 H ATOM 43198 OH2 TIP3 5876 21.453 71.283 16.843 1.00 0.00 WT3 O ATOM 43199 H1 TIP3 5876 22.104 71.923 16.555 1.00 0.00 WT3 H ATOM 43200 H2 TIP3 5876 21.884 70.435 16.732 1.00 0.00 WT3 H ATOM 43201 OH2 TIP3 5877 63.948 89.324 65.249 1.00 0.00 WT3 O ATOM 43202 H1 TIP3 5877 64.331 90.114 65.631 1.00 0.00 WT3 H ATOM 43203 H2 TIP3 5877 64.696 88.840 64.899 1.00 0.00 WT3 H ATOM 43204 OH2 TIP3 5878 31.470 7.316 4.612 1.00 0.00 WT3 O ATOM 43205 H1 TIP3 5878 30.551 7.146 4.406 1.00 0.00 WT3 H ATOM 43206 H2 TIP3 5878 31.476 7.501 5.551 1.00 0.00 WT3 H ATOM 43207 OH2 TIP3 5879 81.331 81.777 40.051 1.00 0.00 WT3 O ATOM 43208 H1 TIP3 5879 81.527 81.604 39.131 1.00 0.00 WT3 H ATOM 43209 H2 TIP3 5879 80.377 81.853 40.084 1.00 0.00 WT3 H ATOM 43210 OH2 TIP3 5880 33.401 62.446 37.669 1.00 0.00 WT3 O ATOM 43211 H1 TIP3 5880 34.254 62.617 38.067 1.00 0.00 WT3 H ATOM 43212 H2 TIP3 5880 32.772 62.593 38.375 1.00 0.00 WT3 H ATOM 43213 OH2 TIP3 5881 76.190 89.542 -15.848 1.00 0.00 WT3 O ATOM 43214 H1 TIP3 5881 76.363 89.652 -16.783 1.00 0.00 WT3 H ATOM 43215 H2 TIP3 5881 76.593 90.307 -15.437 1.00 0.00 WT3 H ATOM 43216 OH2 TIP3 5882 24.003 81.309 50.326 1.00 0.00 WT3 O ATOM 43217 H1 TIP3 5882 24.646 81.843 50.792 1.00 0.00 WT3 H ATOM 43218 H2 TIP3 5882 23.185 81.801 50.398 1.00 0.00 WT3 H ATOM 43219 OH2 TIP3 5883 33.645 69.389 11.606 1.00 0.00 WT3 O ATOM 43220 H1 TIP3 5883 33.536 68.460 11.402 1.00 0.00 WT3 H ATOM 43221 H2 TIP3 5883 34.588 69.539 11.546 1.00 0.00 WT3 H ATOM 43222 OH2 TIP3 5884 74.560 29.535 -8.226 1.00 0.00 WT3 O ATOM 43223 H1 TIP3 5884 73.698 29.434 -7.823 1.00 0.00 WT3 H ATOM 43224 H2 TIP3 5884 74.845 30.411 -7.966 1.00 0.00 WT3 H ATOM 43225 OH2 TIP3 5886 29.851 48.185 -16.739 1.00 0.00 WT3 O ATOM 43226 H1 TIP3 5886 29.338 47.973 -15.959 1.00 0.00 WT3 H ATOM 43227 H2 TIP3 5886 30.412 48.911 -16.467 1.00 0.00 WT3 H ATOM 43228 OH2 TIP3 5887 44.179 80.547 -2.099 1.00 0.00 WT3 O ATOM 43229 H1 TIP3 5887 44.214 79.618 -2.328 1.00 0.00 WT3 H ATOM 43230 H2 TIP3 5887 43.838 80.561 -1.205 1.00 0.00 WT3 H ATOM 43231 OH2 TIP3 5888 39.133 6.014 28.994 1.00 0.00 WT3 O ATOM 43232 H1 TIP3 5888 39.531 6.878 28.895 1.00 0.00 WT3 H ATOM 43233 H2 TIP3 5888 38.268 6.190 29.365 1.00 0.00 WT3 H ATOM 43234 OH2 TIP3 5889 56.576 75.763 3.525 1.00 0.00 WT3 O ATOM 43235 H1 TIP3 5889 57.463 76.005 3.792 1.00 0.00 WT3 H ATOM 43236 H2 TIP3 5889 56.352 75.019 4.083 1.00 0.00 WT3 H ATOM 43237 OH2 TIP3 5890 22.552 58.310 17.539 1.00 0.00 WT3 O ATOM 43238 H1 TIP3 5890 22.032 58.154 18.327 1.00 0.00 WT3 H ATOM 43239 H2 TIP3 5890 22.564 57.466 17.088 1.00 0.00 WT3 H ATOM 43240 OH2 TIP3 5891 63.928 14.002 9.031 1.00 0.00 WT3 O ATOM 43241 H1 TIP3 5891 63.943 13.817 8.092 1.00 0.00 WT3 H ATOM 43242 H2 TIP3 5891 63.141 13.560 9.351 1.00 0.00 WT3 H ATOM 43243 OH2 TIP3 5892 37.484 61.721 -6.947 1.00 0.00 WT3 O ATOM 43244 H1 TIP3 5892 36.657 62.188 -6.827 1.00 0.00 WT3 H ATOM 43245 H2 TIP3 5892 37.277 60.810 -6.741 1.00 0.00 WT3 H ATOM 43246 OH2 TIP3 5893 31.226 82.574 22.784 1.00 0.00 WT3 O ATOM 43247 H1 TIP3 5893 31.581 81.921 23.387 1.00 0.00 WT3 H ATOM 43248 H2 TIP3 5893 30.633 82.081 22.217 1.00 0.00 WT3 H ATOM 43249 OH2 TIP3 5894 28.701 60.891 27.769 1.00 0.00 WT3 O ATOM 43250 H1 TIP3 5894 28.424 59.975 27.762 1.00 0.00 WT3 H ATOM 43251 H2 TIP3 5894 29.552 60.881 28.209 1.00 0.00 WT3 H ATOM 43252 OH2 TIP3 5895 74.719 78.811 14.234 1.00 0.00 WT3 O ATOM 43253 H1 TIP3 5895 74.562 78.404 13.381 1.00 0.00 WT3 H ATOM 43254 H2 TIP3 5895 74.810 78.074 14.838 1.00 0.00 WT3 H ATOM 43255 OH2 TIP3 5898 79.632 67.209 19.054 1.00 0.00 WT3 O ATOM 43256 H1 TIP3 5898 78.833 67.729 18.961 1.00 0.00 WT3 H ATOM 43257 H2 TIP3 5898 80.302 67.715 18.596 1.00 0.00 WT3 H ATOM 43258 OH2 TIP3 5899 52.506 89.233 11.552 1.00 0.00 WT3 O ATOM 43259 H1 TIP3 5899 51.672 89.683 11.416 1.00 0.00 WT3 H ATOM 43260 H2 TIP3 5899 52.411 88.806 12.404 1.00 0.00 WT3 H ATOM 43261 OH2 TIP3 5900 70.818 57.601 -2.573 1.00 0.00 WT3 O ATOM 43262 H1 TIP3 5900 70.606 56.788 -2.114 1.00 0.00 WT3 H ATOM 43263 H2 TIP3 5900 71.769 57.675 -2.504 1.00 0.00 WT3 H ATOM 43264 OH2 TIP3 5901 66.205 11.256 26.925 1.00 0.00 WT3 O ATOM 43265 H1 TIP3 5901 67.005 10.873 27.283 1.00 0.00 WT3 H ATOM 43266 H2 TIP3 5901 65.836 11.763 27.648 1.00 0.00 WT3 H ATOM 43267 OH2 TIP3 5902 87.684 43.041 1.146 1.00 0.00 WT3 O ATOM 43268 H1 TIP3 5902 87.708 42.152 0.790 1.00 0.00 WT3 H ATOM 43269 H2 TIP3 5902 87.606 43.605 0.376 1.00 0.00 WT3 H ATOM 43270 OH2 TIP3 5903 40.731 90.234 65.443 1.00 0.00 WT3 O ATOM 43271 H1 TIP3 5903 41.564 90.590 65.752 1.00 0.00 WT3 H ATOM 43272 H2 TIP3 5903 40.563 89.486 66.017 1.00 0.00 WT3 H ATOM 43273 OH2 TIP3 5906 58.951 71.506 50.737 1.00 0.00 WT3 O ATOM 43274 H1 TIP3 5906 59.451 71.146 51.470 1.00 0.00 WT3 H ATOM 43275 H2 TIP3 5906 59.324 71.085 49.962 1.00 0.00 WT3 H ATOM 43276 OH2 TIP3 5907 71.093 74.093 31.265 1.00 0.00 WT3 O ATOM 43277 H1 TIP3 5907 70.384 74.699 31.045 1.00 0.00 WT3 H ATOM 43278 H2 TIP3 5907 71.865 74.461 30.836 1.00 0.00 WT3 H ATOM 43279 OH2 TIP3 5909 65.166 79.541 36.922 1.00 0.00 WT3 O ATOM 43280 H1 TIP3 5909 64.543 79.086 37.487 1.00 0.00 WT3 H ATOM 43281 H2 TIP3 5909 65.126 79.069 36.090 1.00 0.00 WT3 H ATOM 43282 OH2 TIP3 5910 88.881 73.211 52.675 1.00 0.00 WT3 O ATOM 43283 H1 TIP3 5910 89.379 72.461 53.001 1.00 0.00 WT3 H ATOM 43284 H2 TIP3 5910 89.539 73.891 52.530 1.00 0.00 WT3 H ATOM 43285 OH2 TIP3 5911 82.098 45.282 13.231 1.00 0.00 WT3 O ATOM 43286 H1 TIP3 5911 82.439 45.369 12.341 1.00 0.00 WT3 H ATOM 43287 H2 TIP3 5911 81.797 46.161 13.460 1.00 0.00 WT3 H ATOM 43288 OH2 TIP3 5912 68.555 10.128 10.893 1.00 0.00 WT3 O ATOM 43289 H1 TIP3 5912 68.517 9.188 10.717 1.00 0.00 WT3 H ATOM 43290 H2 TIP3 5912 68.182 10.223 11.769 1.00 0.00 WT3 H ATOM 43291 OH2 TIP3 5913 24.540 76.721 34.692 1.00 0.00 WT3 O ATOM 43292 H1 TIP3 5913 24.512 77.565 34.240 1.00 0.00 WT3 H ATOM 43293 H2 TIP3 5913 25.407 76.369 34.488 1.00 0.00 WT3 H ATOM 43294 OH2 TIP3 5916 76.237 92.044 -9.759 1.00 0.00 WT3 O ATOM 43295 H1 TIP3 5916 75.824 91.212 -9.529 1.00 0.00 WT3 H ATOM 43296 H2 TIP3 5916 76.410 91.975 -10.698 1.00 0.00 WT3 H ATOM 43297 OH2 TIP3 5917 20.492 94.827 -11.276 1.00 0.00 WT3 O ATOM 43298 H1 TIP3 5917 21.193 94.492 -11.835 1.00 0.00 WT3 H ATOM 43299 H2 TIP3 5917 20.942 95.150 -10.495 1.00 0.00 WT3 H ATOM 43300 OH2 TIP3 5918 43.264 60.326 63.083 1.00 0.00 WT3 O ATOM 43301 H1 TIP3 5918 43.962 59.704 63.288 1.00 0.00 WT3 H ATOM 43302 H2 TIP3 5918 42.536 60.064 63.647 1.00 0.00 WT3 H ATOM 43303 OH2 TIP3 5919 87.742 74.386 1.177 1.00 0.00 WT3 O ATOM 43304 H1 TIP3 5919 87.687 74.112 2.093 1.00 0.00 WT3 H ATOM 43305 H2 TIP3 5919 88.536 73.963 0.848 1.00 0.00 WT3 H ATOM 43306 OH2 TIP3 5920 72.752 31.945 45.408 1.00 0.00 WT3 O ATOM 43307 H1 TIP3 5920 72.651 31.232 44.777 1.00 0.00 WT3 H ATOM 43308 H2 TIP3 5920 73.322 32.576 44.970 1.00 0.00 WT3 H ATOM 43309 OH2 TIP3 5921 51.132 49.177 48.659 1.00 0.00 WT3 O ATOM 43310 H1 TIP3 5921 51.791 48.787 48.084 1.00 0.00 WT3 H ATOM 43311 H2 TIP3 5921 50.377 48.593 48.590 1.00 0.00 WT3 H ATOM 43312 OH2 TIP3 5922 64.735 57.060 27.064 1.00 0.00 WT3 O ATOM 43313 H1 TIP3 5922 65.102 57.057 26.180 1.00 0.00 WT3 H ATOM 43314 H2 TIP3 5922 63.930 57.571 26.988 1.00 0.00 WT3 H ATOM 43315 OH2 TIP3 5923 34.440 50.136 6.605 1.00 0.00 WT3 O ATOM 43316 H1 TIP3 5923 35.242 50.066 6.086 1.00 0.00 WT3 H ATOM 43317 H2 TIP3 5923 34.064 50.979 6.351 1.00 0.00 WT3 H ATOM 43318 OH2 TIP3 5924 57.804 15.905 3.554 1.00 0.00 WT3 O ATOM 43319 H1 TIP3 5924 58.645 16.012 3.998 1.00 0.00 WT3 H ATOM 43320 H2 TIP3 5924 57.822 15.009 3.218 1.00 0.00 WT3 H ATOM 43321 OH2 TIP3 5926 63.894 77.994 -1.014 1.00 0.00 WT3 O ATOM 43322 H1 TIP3 5926 64.545 77.325 -0.802 1.00 0.00 WT3 H ATOM 43323 H2 TIP3 5926 63.378 77.611 -1.723 1.00 0.00 WT3 H ATOM 43324 OH2 TIP3 5931 34.564 87.700 57.944 1.00 0.00 WT3 O ATOM 43325 H1 TIP3 5931 35.505 87.856 58.018 1.00 0.00 WT3 H ATOM 43326 H2 TIP3 5931 34.356 87.123 58.678 1.00 0.00 WT3 H ATOM 43327 OH2 TIP3 5932 28.658 43.814 45.149 1.00 0.00 WT3 O ATOM 43328 H1 TIP3 5932 28.466 44.718 45.398 1.00 0.00 WT3 H ATOM 43329 H2 TIP3 5932 27.863 43.330 45.372 1.00 0.00 WT3 H ATOM 43330 OH2 TIP3 5934 66.252 2.129 65.299 1.00 0.00 WT3 O ATOM 43331 H1 TIP3 5934 65.660 1.515 65.733 1.00 0.00 WT3 H ATOM 43332 H2 TIP3 5934 66.524 2.731 65.992 1.00 0.00 WT3 H ATOM 43333 OH2 TIP3 5935 60.498 88.724 14.073 1.00 0.00 WT3 O ATOM 43334 H1 TIP3 5935 60.631 88.111 13.350 1.00 0.00 WT3 H ATOM 43335 H2 TIP3 5935 60.215 88.175 14.804 1.00 0.00 WT3 H ATOM 43336 OH2 TIP3 5936 31.402 48.578 8.118 1.00 0.00 WT3 O ATOM 43337 H1 TIP3 5936 31.746 47.691 8.223 1.00 0.00 WT3 H ATOM 43338 H2 TIP3 5936 32.105 49.058 7.680 1.00 0.00 WT3 H ATOM 43339 OH2 TIP3 5938 62.734 32.157 10.095 1.00 0.00 WT3 O ATOM 43340 H1 TIP3 5938 62.511 33.084 10.177 1.00 0.00 WT3 H ATOM 43341 H2 TIP3 5938 62.531 31.941 9.184 1.00 0.00 WT3 H ATOM 43342 OH2 TIP3 5939 31.345 69.143 59.105 1.00 0.00 WT3 O ATOM 43343 H1 TIP3 5939 30.675 68.838 58.494 1.00 0.00 WT3 H ATOM 43344 H2 TIP3 5939 32.033 68.479 59.058 1.00 0.00 WT3 H ATOM 43345 OH2 TIP3 5942 25.201 78.540 1.251 1.00 0.00 WT3 O ATOM 43346 H1 TIP3 5942 25.789 78.301 0.534 1.00 0.00 WT3 H ATOM 43347 H2 TIP3 5942 24.439 77.971 1.137 1.00 0.00 WT3 H ATOM 43348 OH2 TIP3 5945 72.118 72.048 -18.439 1.00 0.00 WT3 O ATOM 43349 H1 TIP3 5945 72.256 72.441 -19.300 1.00 0.00 WT3 H ATOM 43350 H2 TIP3 5945 72.241 71.109 -18.580 1.00 0.00 WT3 H ATOM 43351 OH2 TIP3 5948 73.709 92.896 13.893 1.00 0.00 WT3 O ATOM 43352 H1 TIP3 5948 74.033 93.557 13.282 1.00 0.00 WT3 H ATOM 43353 H2 TIP3 5948 74.453 92.310 14.029 1.00 0.00 WT3 H ATOM 43354 OH2 TIP3 5949 38.764 16.297 51.015 1.00 0.00 WT3 O ATOM 43355 H1 TIP3 5949 38.507 17.012 51.597 1.00 0.00 WT3 H ATOM 43356 H2 TIP3 5949 39.488 16.654 50.501 1.00 0.00 WT3 H ATOM 43357 OH2 TIP3 5951 36.481 53.625 3.759 1.00 0.00 WT3 O ATOM 43358 H1 TIP3 5951 37.221 53.195 3.329 1.00 0.00 WT3 H ATOM 43359 H2 TIP3 5951 36.762 53.735 4.667 1.00 0.00 WT3 H ATOM 43360 OH2 TIP3 5952 71.477 35.080 -2.311 1.00 0.00 WT3 O ATOM 43361 H1 TIP3 5952 71.261 35.997 -2.141 1.00 0.00 WT3 H ATOM 43362 H2 TIP3 5952 71.016 34.871 -3.123 1.00 0.00 WT3 H ATOM 43363 OH2 TIP3 5953 74.227 35.586 56.881 1.00 0.00 WT3 O ATOM 43364 H1 TIP3 5953 74.581 35.022 57.569 1.00 0.00 WT3 H ATOM 43365 H2 TIP3 5953 74.953 35.700 56.267 1.00 0.00 WT3 H ATOM 43366 OH2 TIP3 5954 30.381 55.533 41.188 1.00 0.00 WT3 O ATOM 43367 H1 TIP3 5954 30.536 55.943 40.337 1.00 0.00 WT3 H ATOM 43368 H2 TIP3 5954 30.283 54.601 40.992 1.00 0.00 WT3 H ATOM 43369 OH2 TIP3 5955 81.323 23.675 51.672 1.00 0.00 WT3 O ATOM 43370 H1 TIP3 5955 81.249 24.435 51.095 1.00 0.00 WT3 H ATOM 43371 H2 TIP3 5955 81.818 23.034 51.163 1.00 0.00 WT3 H ATOM 43372 OH2 TIP3 5956 43.210 80.316 44.099 1.00 0.00 WT3 O ATOM 43373 H1 TIP3 5956 43.161 79.935 43.222 1.00 0.00 WT3 H ATOM 43374 H2 TIP3 5956 42.558 79.834 44.607 1.00 0.00 WT3 H ATOM 43375 OH2 TIP3 5957 68.888 88.271 51.978 1.00 0.00 WT3 O ATOM 43376 H1 TIP3 5957 68.768 87.818 51.143 1.00 0.00 WT3 H ATOM 43377 H2 TIP3 5957 69.064 87.571 52.607 1.00 0.00 WT3 H ATOM 43378 OH2 TIP3 5959 31.710 24.435 4.710 1.00 0.00 WT3 O ATOM 43379 H1 TIP3 5959 31.721 25.386 4.599 1.00 0.00 WT3 H ATOM 43380 H2 TIP3 5959 31.199 24.292 5.506 1.00 0.00 WT3 H ATOM 43381 OH2 TIP3 5965 81.307 81.850 21.394 1.00 0.00 WT3 O ATOM 43382 H1 TIP3 5965 81.267 81.123 22.015 1.00 0.00 WT3 H ATOM 43383 H2 TIP3 5965 82.180 81.788 21.007 1.00 0.00 WT3 H ATOM 43384 OH2 TIP3 5971 88.022 3.223 49.081 1.00 0.00 WT3 O ATOM 43385 H1 TIP3 5971 87.714 4.130 49.094 1.00 0.00 WT3 H ATOM 43386 H2 TIP3 5971 87.428 2.760 49.672 1.00 0.00 WT3 H ATOM 43387 OH2 TIP3 5972 36.474 87.127 -2.721 1.00 0.00 WT3 O ATOM 43388 H1 TIP3 5972 35.580 87.466 -2.774 1.00 0.00 WT3 H ATOM 43389 H2 TIP3 5972 36.886 87.409 -3.538 1.00 0.00 WT3 H ATOM 43390 OH2 TIP3 5975 80.691 71.509 47.994 1.00 0.00 WT3 O ATOM 43391 H1 TIP3 5975 81.412 71.525 48.623 1.00 0.00 WT3 H ATOM 43392 H2 TIP3 5975 80.683 70.613 47.659 1.00 0.00 WT3 H ATOM 43393 OH2 TIP3 5977 71.202 90.699 0.180 1.00 0.00 WT3 O ATOM 43394 H1 TIP3 5977 70.876 90.644 1.078 1.00 0.00 WT3 H ATOM 43395 H2 TIP3 5977 70.413 90.753 -0.359 1.00 0.00 WT3 H ATOM 43396 OH2 TIP3 5981 67.791 96.555 46.960 1.00 0.00 WT3 O ATOM 43397 H1 TIP3 5981 67.013 97.040 47.236 1.00 0.00 WT3 H ATOM 43398 H2 TIP3 5981 67.910 95.888 47.636 1.00 0.00 WT3 H ATOM 43399 OH2 TIP3 5983 66.111 71.375 61.379 1.00 0.00 WT3 O ATOM 43400 H1 TIP3 5983 66.776 70.818 60.975 1.00 0.00 WT3 H ATOM 43401 H2 TIP3 5983 65.612 71.727 60.641 1.00 0.00 WT3 H ATOM 43402 OH2 TIP3 5985 46.819 96.214 34.330 1.00 0.00 WT3 O ATOM 43403 H1 TIP3 5985 47.306 95.401 34.466 1.00 0.00 WT3 H ATOM 43404 H2 TIP3 5985 47.014 96.742 35.104 1.00 0.00 WT3 H ATOM 43405 OH2 TIP3 5994 76.395 42.409 6.299 1.00 0.00 WT3 O ATOM 43406 H1 TIP3 5994 76.758 43.292 6.362 1.00 0.00 WT3 H ATOM 43407 H2 TIP3 5994 75.448 42.533 6.364 1.00 0.00 WT3 H ATOM 43408 OH2 TIP3 5996 45.451 88.856 46.148 1.00 0.00 WT3 O ATOM 43409 H1 TIP3 5996 45.121 89.330 46.911 1.00 0.00 WT3 H ATOM 43410 H2 TIP3 5996 44.974 89.231 45.407 1.00 0.00 WT3 H ATOM 43411 OH2 TIP3 6004 52.569 82.989 -9.771 1.00 0.00 WT3 O ATOM 43412 H1 TIP3 6004 51.993 82.227 -9.832 1.00 0.00 WT3 H ATOM 43413 H2 TIP3 6004 53.172 82.777 -9.058 1.00 0.00 WT3 H ATOM 43414 OH2 TIP3 6090 55.015 38.708 -8.070 1.00 0.00 WT3 O ATOM 43415 H1 TIP3 6090 55.002 39.625 -7.796 1.00 0.00 WT3 H ATOM 43416 H2 TIP3 6090 55.225 38.222 -7.273 1.00 0.00 WT3 H ATOM 43417 OH2 TIP3 6091 72.354 61.939 -2.264 1.00 0.00 WT3 O ATOM 43418 H1 TIP3 6091 71.680 62.358 -1.728 1.00 0.00 WT3 H ATOM 43419 H2 TIP3 6091 71.987 61.083 -2.485 1.00 0.00 WT3 H ATOM 43420 OH2 TIP3 6107 51.311 31.413 38.468 1.00 0.00 WT3 O ATOM 43421 H1 TIP3 6107 51.942 30.750 38.747 1.00 0.00 WT3 H ATOM 43422 H2 TIP3 6107 50.516 30.919 38.267 1.00 0.00 WT3 H ATOM 43423 OH2 TIP3 6110 68.663 62.332 -19.376 1.00 0.00 WT3 O ATOM 43424 H1 TIP3 6110 69.081 62.937 -18.764 1.00 0.00 WT3 H ATOM 43425 H2 TIP3 6110 68.051 61.830 -18.838 1.00 0.00 WT3 H ATOM 43426 OH2 TIP3 6126 52.733 77.489 42.125 1.00 0.00 WT3 O ATOM 43427 H1 TIP3 6126 53.548 77.018 41.949 1.00 0.00 WT3 H ATOM 43428 H2 TIP3 6126 52.617 78.058 41.364 1.00 0.00 WT3 H ATOM 43429 OH2 TIP3 6131 28.354 86.699 -12.099 1.00 0.00 WT3 O ATOM 43430 H1 TIP3 6131 28.514 86.784 -13.039 1.00 0.00 WT3 H ATOM 43431 H2 TIP3 6131 28.668 87.523 -11.727 1.00 0.00 WT3 H ATOM 43432 OH2 TIP3 6134 63.542 37.696 39.127 1.00 0.00 WT3 O ATOM 43433 H1 TIP3 6134 62.817 37.586 38.512 1.00 0.00 WT3 H ATOM 43434 H2 TIP3 6134 63.956 38.518 38.866 1.00 0.00 WT3 H ATOM 43435 OH2 TIP3 6136 58.027 93.808 20.079 1.00 0.00 WT3 O ATOM 43436 H1 TIP3 6136 58.429 93.496 19.268 1.00 0.00 WT3 H ATOM 43437 H2 TIP3 6136 57.722 93.013 20.516 1.00 0.00 WT3 H ATOM 43438 OH2 TIP3 6138 34.066 66.624 -13.956 1.00 0.00 WT3 O ATOM 43439 H1 TIP3 6138 34.885 66.281 -14.314 1.00 0.00 WT3 H ATOM 43440 H2 TIP3 6138 33.790 65.967 -13.317 1.00 0.00 WT3 H ATOM 43441 OH2 TIP3 6146 29.008 59.289 45.391 1.00 0.00 WT3 O ATOM 43442 H1 TIP3 6146 28.846 58.476 44.913 1.00 0.00 WT3 H ATOM 43443 H2 TIP3 6146 28.660 59.126 46.268 1.00 0.00 WT3 H ATOM 43444 OH2 TIP3 6147 72.559 10.134 -12.126 1.00 0.00 WT3 O ATOM 43445 H1 TIP3 6147 73.500 9.990 -12.020 1.00 0.00 WT3 H ATOM 43446 H2 TIP3 6147 72.491 11.011 -12.503 1.00 0.00 WT3 H ATOM 43447 OH2 TIP3 6157 20.901 66.945 -16.506 1.00 0.00 WT3 O ATOM 43448 H1 TIP3 6157 20.580 67.651 -15.944 1.00 0.00 WT3 H ATOM 43449 H2 TIP3 6157 20.283 66.228 -16.368 1.00 0.00 WT3 H ATOM 43450 OH2 TIP3 6158 34.930 28.120 5.542 1.00 0.00 WT3 O ATOM 43451 H1 TIP3 6158 35.558 28.254 4.831 1.00 0.00 WT3 H ATOM 43452 H2 TIP3 6158 34.079 28.313 5.149 1.00 0.00 WT3 H ATOM 43453 OH2 TIP3 6163 52.677 75.959 -7.102 1.00 0.00 WT3 O ATOM 43454 H1 TIP3 6163 51.987 75.511 -7.592 1.00 0.00 WT3 H ATOM 43455 H2 TIP3 6163 52.207 76.505 -6.472 1.00 0.00 WT3 H ATOM 43456 OH2 TIP3 6166 76.955 8.217 53.519 1.00 0.00 WT3 O ATOM 43457 H1 TIP3 6166 76.127 7.941 53.127 1.00 0.00 WT3 H ATOM 43458 H2 TIP3 6166 77.291 7.430 53.949 1.00 0.00 WT3 H ATOM 43459 OH2 TIP3 6174 20.443 48.826 12.440 1.00 0.00 WT3 O ATOM 43460 H1 TIP3 6174 20.938 48.193 12.960 1.00 0.00 WT3 H ATOM 43461 H2 TIP3 6174 21.069 49.144 11.790 1.00 0.00 WT3 H ATOM 43462 OH2 TIP3 6176 88.034 3.051 -8.900 1.00 0.00 WT3 O ATOM 43463 H1 TIP3 6176 87.414 2.330 -9.012 1.00 0.00 WT3 H ATOM 43464 H2 TIP3 6176 87.549 3.708 -8.401 1.00 0.00 WT3 H ATOM 43465 OH2 TIP3 6177 81.154 32.972 28.950 1.00 0.00 WT3 O ATOM 43466 H1 TIP3 6177 80.939 32.398 28.214 1.00 0.00 WT3 H ATOM 43467 H2 TIP3 6177 80.363 33.493 29.087 1.00 0.00 WT3 H ATOM 43468 OH2 TIP3 6178 39.290 77.468 4.288 1.00 0.00 WT3 O ATOM 43469 H1 TIP3 6178 38.854 76.668 3.991 1.00 0.00 WT3 H ATOM 43470 H2 TIP3 6178 40.204 77.354 4.028 1.00 0.00 WT3 H ATOM 43471 OH2 TIP3 6179 48.993 51.076 37.181 1.00 0.00 WT3 O ATOM 43472 H1 TIP3 6179 49.819 51.439 36.859 1.00 0.00 WT3 H ATOM 43473 H2 TIP3 6179 48.317 51.587 36.735 1.00 0.00 WT3 H ATOM 43474 OH2 TIP3 6181 48.280 34.853 15.207 1.00 0.00 WT3 O ATOM 43475 H1 TIP3 6181 48.321 34.146 15.850 1.00 0.00 WT3 H ATOM 43476 H2 TIP3 6181 47.691 34.526 14.527 1.00 0.00 WT3 H ATOM 43477 OH2 TIP3 6183 51.788 33.508 -6.069 1.00 0.00 WT3 O ATOM 43478 H1 TIP3 6183 51.204 33.975 -5.472 1.00 0.00 WT3 H ATOM 43479 H2 TIP3 6183 52.462 34.149 -6.295 1.00 0.00 WT3 H ATOM 43480 OH2 TIP3 6189 75.070 74.820 49.626 1.00 0.00 WT3 O ATOM 43481 H1 TIP3 6189 75.282 75.436 48.925 1.00 0.00 WT3 H ATOM 43482 H2 TIP3 6189 74.265 75.163 50.012 1.00 0.00 WT3 H ATOM 43483 OH2 TIP3 6192 29.763 6.662 61.723 1.00 0.00 WT3 O ATOM 43484 H1 TIP3 6192 30.545 7.156 61.474 1.00 0.00 WT3 H ATOM 43485 H2 TIP3 6192 29.834 5.840 61.238 1.00 0.00 WT3 H ATOM 43486 OH2 TIP3 6194 65.851 75.363 36.998 1.00 0.00 WT3 O ATOM 43487 H1 TIP3 6194 65.104 74.988 37.464 1.00 0.00 WT3 H ATOM 43488 H2 TIP3 6194 65.675 75.179 36.075 1.00 0.00 WT3 H ATOM 43489 OH2 TIP3 6195 74.274 19.229 -18.251 1.00 0.00 WT3 O ATOM 43490 H1 TIP3 6195 74.735 19.172 -19.088 1.00 0.00 WT3 H ATOM 43491 H2 TIP3 6195 73.724 18.445 -18.226 1.00 0.00 WT3 H ATOM 43492 OH2 TIP3 6198 50.076 34.868 -4.418 1.00 0.00 WT3 O ATOM 43493 H1 TIP3 6198 50.113 34.638 -3.490 1.00 0.00 WT3 H ATOM 43494 H2 TIP3 6198 49.418 35.562 -4.467 1.00 0.00 WT3 H ATOM 43495 OH2 TIP3 6199 37.451 47.488 31.620 1.00 0.00 WT3 O ATOM 43496 H1 TIP3 6199 38.363 47.260 31.439 1.00 0.00 WT3 H ATOM 43497 H2 TIP3 6199 37.041 47.540 30.756 1.00 0.00 WT3 H ATOM 43498 OH2 TIP3 6200 82.521 62.710 -17.162 1.00 0.00 WT3 O ATOM 43499 H1 TIP3 6200 82.513 62.104 -16.422 1.00 0.00 WT3 H ATOM 43500 H2 TIP3 6200 82.471 63.578 -16.762 1.00 0.00 WT3 H ATOM 43501 OH2 TIP3 6202 42.012 16.013 61.667 1.00 0.00 WT3 O ATOM 43502 H1 TIP3 6202 42.297 16.198 60.772 1.00 0.00 WT3 H ATOM 43503 H2 TIP3 6202 41.458 15.237 61.587 1.00 0.00 WT3 H ATOM 43504 OH2 TIP3 6203 71.351 27.745 -2.289 1.00 0.00 WT3 O ATOM 43505 H1 TIP3 6203 70.547 27.227 -2.323 1.00 0.00 WT3 H ATOM 43506 H2 TIP3 6203 71.103 28.544 -1.825 1.00 0.00 WT3 H ATOM 43507 OH2 TIP3 6205 85.639 83.586 62.913 1.00 0.00 WT3 O ATOM 43508 H1 TIP3 6205 86.120 82.784 62.705 1.00 0.00 WT3 H ATOM 43509 H2 TIP3 6205 84.724 83.371 62.727 1.00 0.00 WT3 H ATOM 43510 OH2 TIP3 6207 69.638 50.565 -5.359 1.00 0.00 WT3 O ATOM 43511 H1 TIP3 6207 69.464 49.806 -4.802 1.00 0.00 WT3 H ATOM 43512 H2 TIP3 6207 69.669 51.305 -4.753 1.00 0.00 WT3 H ATOM 43513 OH2 TIP3 6212 78.885 82.352 10.033 1.00 0.00 WT3 O ATOM 43514 H1 TIP3 6212 79.531 81.677 10.238 1.00 0.00 WT3 H ATOM 43515 H2 TIP3 6212 79.156 83.109 10.551 1.00 0.00 WT3 H ATOM 43516 OH2 TIP3 6213 63.472 88.274 37.482 1.00 0.00 WT3 O ATOM 43517 H1 TIP3 6213 63.482 87.423 37.921 1.00 0.00 WT3 H ATOM 43518 H2 TIP3 6213 64.274 88.705 37.777 1.00 0.00 WT3 H ATOM 43519 OH2 TIP3 6214 33.399 88.316 21.509 1.00 0.00 WT3 O ATOM 43520 H1 TIP3 6214 33.624 89.239 21.400 1.00 0.00 WT3 H ATOM 43521 H2 TIP3 6214 33.988 88.003 22.195 1.00 0.00 WT3 H ATOM 43522 OH2 TIP3 6215 66.953 54.996 -16.788 1.00 0.00 WT3 O ATOM 43523 H1 TIP3 6215 67.813 54.687 -16.503 1.00 0.00 WT3 H ATOM 43524 H2 TIP3 6215 66.759 54.479 -17.569 1.00 0.00 WT3 H ATOM 43525 OH2 TIP3 6216 62.599 44.352 49.455 1.00 0.00 WT3 O ATOM 43526 H1 TIP3 6216 63.051 44.174 48.630 1.00 0.00 WT3 H ATOM 43527 H2 TIP3 6216 61.961 45.031 49.237 1.00 0.00 WT3 H ATOM 43528 OH2 TIP3 6217 87.390 95.724 -6.558 1.00 0.00 WT3 O ATOM 43529 H1 TIP3 6217 87.212 94.800 -6.380 1.00 0.00 WT3 H ATOM 43530 H2 TIP3 6217 86.531 96.145 -6.522 1.00 0.00 WT3 H ATOM 43531 OH2 TIP3 6218 67.582 83.076 -4.824 1.00 0.00 WT3 O ATOM 43532 H1 TIP3 6218 68.122 83.208 -5.604 1.00 0.00 WT3 H ATOM 43533 H2 TIP3 6218 67.418 82.133 -4.803 1.00 0.00 WT3 H ATOM 43534 OH2 TIP3 6219 21.498 57.854 64.984 1.00 0.00 WT3 O ATOM 43535 H1 TIP3 6219 21.442 58.798 64.836 1.00 0.00 WT3 H ATOM 43536 H2 TIP3 6219 20.799 57.485 64.444 1.00 0.00 WT3 H ATOM 43537 OH2 TIP3 6220 85.068 51.497 22.762 1.00 0.00 WT3 O ATOM 43538 H1 TIP3 6220 84.748 50.619 22.970 1.00 0.00 WT3 H ATOM 43539 H2 TIP3 6220 84.328 52.073 22.951 1.00 0.00 WT3 H ATOM 43540 OH2 TIP3 6221 77.411 44.871 57.918 1.00 0.00 WT3 O ATOM 43541 H1 TIP3 6221 77.282 44.163 58.549 1.00 0.00 WT3 H ATOM 43542 H2 TIP3 6221 77.592 44.426 57.090 1.00 0.00 WT3 H ATOM 43543 OH2 TIP3 6223 26.347 91.629 10.785 1.00 0.00 WT3 O ATOM 43544 H1 TIP3 6223 26.901 92.218 11.298 1.00 0.00 WT3 H ATOM 43545 H2 TIP3 6223 25.595 91.455 11.351 1.00 0.00 WT3 H ATOM 43546 OH2 TIP3 6224 70.945 58.408 20.316 1.00 0.00 WT3 O ATOM 43547 H1 TIP3 6224 70.284 57.981 19.770 1.00 0.00 WT3 H ATOM 43548 H2 TIP3 6224 70.439 58.908 20.956 1.00 0.00 WT3 H ATOM 43549 OH2 TIP3 6225 67.374 55.762 28.227 1.00 0.00 WT3 O ATOM 43550 H1 TIP3 6225 67.077 56.616 27.913 1.00 0.00 WT3 H ATOM 43551 H2 TIP3 6225 67.008 55.689 29.108 1.00 0.00 WT3 H ATOM 43552 OH2 TIP3 6227 77.793 43.870 28.356 1.00 0.00 WT3 O ATOM 43553 H1 TIP3 6227 78.531 43.384 28.724 1.00 0.00 WT3 H ATOM 43554 H2 TIP3 6227 77.121 43.205 28.202 1.00 0.00 WT3 H ATOM 43555 OH2 TIP3 6230 81.102 75.763 12.306 1.00 0.00 WT3 O ATOM 43556 H1 TIP3 6230 80.702 75.535 13.145 1.00 0.00 WT3 H ATOM 43557 H2 TIP3 6230 82.035 75.852 12.501 1.00 0.00 WT3 H ATOM 43558 OH2 TIP3 6231 57.927 93.747 23.548 1.00 0.00 WT3 O ATOM 43559 H1 TIP3 6231 57.190 94.357 23.568 1.00 0.00 WT3 H ATOM 43560 H2 TIP3 6231 57.796 93.238 22.748 1.00 0.00 WT3 H ATOM 43561 OH2 TIP3 6232 89.525 71.972 47.321 1.00 0.00 WT3 O ATOM 43562 H1 TIP3 6232 88.874 72.628 47.074 1.00 0.00 WT3 H ATOM 43563 H2 TIP3 6232 89.015 71.259 47.705 1.00 0.00 WT3 H ATOM 43564 OH2 TIP3 6233 35.541 73.144 -6.640 1.00 0.00 WT3 O ATOM 43565 H1 TIP3 6233 35.706 74.085 -6.704 1.00 0.00 WT3 H ATOM 43566 H2 TIP3 6233 34.734 73.007 -7.135 1.00 0.00 WT3 H ATOM 43567 OH2 TIP3 6235 40.840 80.574 61.036 1.00 0.00 WT3 O ATOM 43568 H1 TIP3 6235 40.468 81.452 61.111 1.00 0.00 WT3 H ATOM 43569 H2 TIP3 6235 40.490 80.100 61.790 1.00 0.00 WT3 H ATOM 43570 OH2 TIP3 6236 82.043 83.733 17.333 1.00 0.00 WT3 O ATOM 43571 H1 TIP3 6236 82.896 84.026 17.656 1.00 0.00 WT3 H ATOM 43572 H2 TIP3 6236 82.068 82.780 17.417 1.00 0.00 WT3 H ATOM 43573 OH2 TIP3 6237 76.364 16.420 4.739 1.00 0.00 WT3 O ATOM 43574 H1 TIP3 6237 76.899 17.185 4.528 1.00 0.00 WT3 H ATOM 43575 H2 TIP3 6237 75.589 16.780 5.170 1.00 0.00 WT3 H ATOM 43576 OH2 TIP3 6238 36.358 38.039 50.309 1.00 0.00 WT3 O ATOM 43577 H1 TIP3 6238 37.305 37.940 50.209 1.00 0.00 WT3 H ATOM 43578 H2 TIP3 6238 36.024 38.062 49.412 1.00 0.00 WT3 H ATOM 43579 OH2 TIP3 6240 71.170 95.678 54.954 1.00 0.00 WT3 O ATOM 43580 H1 TIP3 6240 71.850 95.046 55.188 1.00 0.00 WT3 H ATOM 43581 H2 TIP3 6240 71.615 96.525 54.968 1.00 0.00 WT3 H ATOM 43582 OH2 TIP3 6241 81.103 96.490 11.663 1.00 0.00 WT3 O ATOM 43583 H1 TIP3 6241 81.163 95.535 11.625 1.00 0.00 WT3 H ATOM 43584 H2 TIP3 6241 81.967 96.773 11.962 1.00 0.00 WT3 H ATOM 43585 OH2 TIP3 6242 26.341 34.332 14.288 1.00 0.00 WT3 O ATOM 43586 H1 TIP3 6242 26.684 34.310 13.395 1.00 0.00 WT3 H ATOM 43587 H2 TIP3 6242 25.397 34.448 14.180 1.00 0.00 WT3 H ATOM 43588 OH2 TIP3 6243 51.310 67.057 53.600 1.00 0.00 WT3 O ATOM 43589 H1 TIP3 6243 50.923 66.409 54.188 1.00 0.00 WT3 H ATOM 43590 H2 TIP3 6243 50.626 67.234 52.954 1.00 0.00 WT3 H ATOM 43591 OH2 TIP3 6245 76.583 89.312 40.626 1.00 0.00 WT3 O ATOM 43592 H1 TIP3 6245 75.883 88.682 40.800 1.00 0.00 WT3 H ATOM 43593 H2 TIP3 6245 76.808 89.172 39.706 1.00 0.00 WT3 H ATOM 43594 OH2 TIP3 6246 50.624 11.562 15.160 1.00 0.00 WT3 O ATOM 43595 H1 TIP3 6246 51.477 11.360 15.544 1.00 0.00 WT3 H ATOM 43596 H2 TIP3 6246 50.776 11.540 14.215 1.00 0.00 WT3 H ATOM 43597 OH2 TIP3 6247 34.098 74.064 32.797 1.00 0.00 WT3 O ATOM 43598 H1 TIP3 6247 34.670 74.825 32.697 1.00 0.00 WT3 H ATOM 43599 H2 TIP3 6247 34.614 73.330 32.464 1.00 0.00 WT3 H ATOM 43600 OH2 TIP3 6248 37.105 67.900 62.278 1.00 0.00 WT3 O ATOM 43601 H1 TIP3 6248 36.335 68.356 61.940 1.00 0.00 WT3 H ATOM 43602 H2 TIP3 6248 37.846 68.335 61.855 1.00 0.00 WT3 H ATOM 43603 OH2 TIP3 6249 25.407 22.849 -6.632 1.00 0.00 WT3 O ATOM 43604 H1 TIP3 6249 25.439 21.959 -6.981 1.00 0.00 WT3 H ATOM 43605 H2 TIP3 6249 26.077 22.864 -5.949 1.00 0.00 WT3 H ATOM 43606 OH2 TIP3 6250 81.496 23.335 5.323 1.00 0.00 WT3 O ATOM 43607 H1 TIP3 6250 81.750 24.258 5.336 1.00 0.00 WT3 H ATOM 43608 H2 TIP3 6250 81.147 23.169 6.199 1.00 0.00 WT3 H ATOM 43609 OH2 TIP3 6251 72.697 84.631 10.296 1.00 0.00 WT3 O ATOM 43610 H1 TIP3 6251 73.361 84.093 9.865 1.00 0.00 WT3 H ATOM 43611 H2 TIP3 6251 72.091 84.000 10.684 1.00 0.00 WT3 H ATOM 43612 OH2 TIP3 6253 86.585 25.080 33.255 1.00 0.00 WT3 O ATOM 43613 H1 TIP3 6253 86.952 25.922 33.524 1.00 0.00 WT3 H ATOM 43614 H2 TIP3 6253 86.483 25.155 32.306 1.00 0.00 WT3 H ATOM 43615 OH2 TIP3 6254 71.732 34.063 18.244 1.00 0.00 WT3 O ATOM 43616 H1 TIP3 6254 71.343 33.351 17.737 1.00 0.00 WT3 H ATOM 43617 H2 TIP3 6254 72.281 34.533 17.616 1.00 0.00 WT3 H ATOM 43618 OH2 TIP3 6255 22.100 83.878 5.695 1.00 0.00 WT3 O ATOM 43619 H1 TIP3 6255 22.718 84.414 6.193 1.00 0.00 WT3 H ATOM 43620 H2 TIP3 6255 21.247 84.073 6.082 1.00 0.00 WT3 H ATOM 43621 OH2 TIP3 6256 63.641 22.132 64.390 1.00 0.00 WT3 O ATOM 43622 H1 TIP3 6256 64.134 21.417 63.986 1.00 0.00 WT3 H ATOM 43623 H2 TIP3 6256 64.237 22.880 64.360 1.00 0.00 WT3 H ATOM 43624 OH2 TIP3 6257 77.812 59.480 5.287 1.00 0.00 WT3 O ATOM 43625 H1 TIP3 6257 77.655 59.740 6.195 1.00 0.00 WT3 H ATOM 43626 H2 TIP3 6257 78.146 60.272 4.866 1.00 0.00 WT3 H ATOM 43627 OH2 TIP3 6258 65.508 77.481 2.629 1.00 0.00 WT3 O ATOM 43628 H1 TIP3 6258 64.718 76.959 2.489 1.00 0.00 WT3 H ATOM 43629 H2 TIP3 6258 66.215 76.838 2.686 1.00 0.00 WT3 H ATOM 43630 OH2 TIP3 6260 58.924 72.808 -17.555 1.00 0.00 WT3 O ATOM 43631 H1 TIP3 6260 59.086 73.090 -16.655 1.00 0.00 WT3 H ATOM 43632 H2 TIP3 6260 59.278 71.919 -17.595 1.00 0.00 WT3 H ATOM 43633 OH2 TIP3 6261 66.580 82.175 27.949 1.00 0.00 WT3 O ATOM 43634 H1 TIP3 6261 67.248 82.754 27.583 1.00 0.00 WT3 H ATOM 43635 H2 TIP3 6261 66.562 81.424 27.356 1.00 0.00 WT3 H ATOM 43636 OH2 TIP3 6263 23.962 1.791 -7.371 1.00 0.00 WT3 O ATOM 43637 H1 TIP3 6263 23.961 1.904 -6.420 1.00 0.00 WT3 H ATOM 43638 H2 TIP3 6263 24.888 1.771 -7.609 1.00 0.00 WT3 H ATOM 43639 OH2 TIP3 6264 69.378 6.683 0.916 1.00 0.00 WT3 O ATOM 43640 H1 TIP3 6264 68.549 6.680 0.436 1.00 0.00 WT3 H ATOM 43641 H2 TIP3 6264 69.445 7.569 1.272 1.00 0.00 WT3 H ATOM 43642 OH2 TIP3 6266 70.523 39.264 -12.027 1.00 0.00 WT3 O ATOM 43643 H1 TIP3 6266 69.806 38.713 -12.340 1.00 0.00 WT3 H ATOM 43644 H2 TIP3 6266 70.673 39.890 -12.736 1.00 0.00 WT3 H ATOM 43645 OH2 TIP3 6268 59.640 95.165 10.244 1.00 0.00 WT3 O ATOM 43646 H1 TIP3 6268 60.087 94.357 10.495 1.00 0.00 WT3 H ATOM 43647 H2 TIP3 6268 59.372 95.018 9.337 1.00 0.00 WT3 H ATOM 43648 OH2 TIP3 6269 52.820 25.205 -10.892 1.00 0.00 WT3 O ATOM 43649 H1 TIP3 6269 53.384 25.978 -10.871 1.00 0.00 WT3 H ATOM 43650 H2 TIP3 6269 52.738 24.942 -9.975 1.00 0.00 WT3 H ATOM 43651 OH2 TIP3 6270 66.355 37.854 35.547 1.00 0.00 WT3 O ATOM 43652 H1 TIP3 6270 65.898 37.651 34.730 1.00 0.00 WT3 H ATOM 43653 H2 TIP3 6270 65.961 38.674 35.844 1.00 0.00 WT3 H ATOM 43654 OH2 TIP3 6271 25.593 24.486 27.655 1.00 0.00 WT3 O ATOM 43655 H1 TIP3 6271 26.114 24.999 27.036 1.00 0.00 WT3 H ATOM 43656 H2 TIP3 6271 24.694 24.572 27.339 1.00 0.00 WT3 H ATOM 43657 OH2 TIP3 6272 28.191 17.318 -9.012 1.00 0.00 WT3 O ATOM 43658 H1 TIP3 6272 28.531 17.932 -8.362 1.00 0.00 WT3 H ATOM 43659 H2 TIP3 6272 27.608 16.743 -8.518 1.00 0.00 WT3 H ATOM 43660 OH2 TIP3 6273 30.606 33.872 44.320 1.00 0.00 WT3 O ATOM 43661 H1 TIP3 6273 31.043 33.316 44.965 1.00 0.00 WT3 H ATOM 43662 H2 TIP3 6273 31.198 33.877 43.567 1.00 0.00 WT3 H ATOM 43663 OH2 TIP3 6274 83.379 3.465 2.029 1.00 0.00 WT3 O ATOM 43664 H1 TIP3 6274 83.967 3.756 2.726 1.00 0.00 WT3 H ATOM 43665 H2 TIP3 6274 82.920 4.259 1.755 1.00 0.00 WT3 H ATOM 43666 OH2 TIP3 6275 79.639 66.936 2.697 1.00 0.00 WT3 O ATOM 43667 H1 TIP3 6275 79.580 66.726 1.765 1.00 0.00 WT3 H ATOM 43668 H2 TIP3 6275 80.426 66.480 2.996 1.00 0.00 WT3 H ATOM 43669 OH2 TIP3 6276 53.704 94.392 -6.135 1.00 0.00 WT3 O ATOM 43670 H1 TIP3 6276 53.800 95.312 -6.384 1.00 0.00 WT3 H ATOM 43671 H2 TIP3 6276 54.479 93.963 -6.497 1.00 0.00 WT3 H ATOM 43672 OH2 TIP3 6277 37.984 51.183 51.274 1.00 0.00 WT3 O ATOM 43673 H1 TIP3 6277 38.402 51.111 50.416 1.00 0.00 WT3 H ATOM 43674 H2 TIP3 6277 38.635 51.622 51.822 1.00 0.00 WT3 H ATOM 43675 OH2 TIP3 6278 82.668 69.987 33.440 1.00 0.00 WT3 O ATOM 43676 H1 TIP3 6278 82.121 70.718 33.725 1.00 0.00 WT3 H ATOM 43677 H2 TIP3 6278 83.558 70.244 33.684 1.00 0.00 WT3 H ATOM 43678 OH2 TIP3 6279 65.199 10.999 31.175 1.00 0.00 WT3 O ATOM 43679 H1 TIP3 6279 64.274 10.880 30.958 1.00 0.00 WT3 H ATOM 43680 H2 TIP3 6279 65.385 11.909 30.945 1.00 0.00 WT3 H ATOM 43681 OH2 TIP3 6280 66.465 78.591 28.892 1.00 0.00 WT3 O ATOM 43682 H1 TIP3 6280 66.330 79.051 28.064 1.00 0.00 WT3 H ATOM 43683 H2 TIP3 6280 66.968 77.812 28.654 1.00 0.00 WT3 H ATOM 43684 OH2 TIP3 6281 89.534 83.527 46.148 1.00 0.00 WT3 O ATOM 43685 H1 TIP3 6281 88.888 84.065 46.605 1.00 0.00 WT3 H ATOM 43686 H2 TIP3 6281 90.379 83.853 46.457 1.00 0.00 WT3 H ATOM 43687 OH2 TIP3 6282 80.354 55.723 22.018 1.00 0.00 WT3 O ATOM 43688 H1 TIP3 6282 80.180 55.786 22.957 1.00 0.00 WT3 H ATOM 43689 H2 TIP3 6282 79.491 55.784 21.609 1.00 0.00 WT3 H ATOM 43690 OH2 TIP3 6283 52.390 67.707 41.321 1.00 0.00 WT3 O ATOM 43691 H1 TIP3 6283 52.355 66.767 41.498 1.00 0.00 WT3 H ATOM 43692 H2 TIP3 6283 53.323 67.919 41.333 1.00 0.00 WT3 H ATOM 43693 OH2 TIP3 6284 63.082 36.739 45.645 1.00 0.00 WT3 O ATOM 43694 H1 TIP3 6284 63.386 37.511 46.122 1.00 0.00 WT3 H ATOM 43695 H2 TIP3 6284 63.793 36.537 45.037 1.00 0.00 WT3 H ATOM 43696 OH2 TIP3 6285 57.398 12.699 66.375 1.00 0.00 WT3 O ATOM 43697 H1 TIP3 6285 56.882 12.045 66.846 1.00 0.00 WT3 H ATOM 43698 H2 TIP3 6285 56.882 12.896 65.594 1.00 0.00 WT3 H ATOM 43699 OH2 TIP3 6286 70.346 74.889 62.747 1.00 0.00 WT3 O ATOM 43700 H1 TIP3 6286 69.592 74.778 63.327 1.00 0.00 WT3 H ATOM 43701 H2 TIP3 6286 70.039 74.585 61.893 1.00 0.00 WT3 H ATOM 43702 OH2 TIP3 6287 28.321 49.567 -7.988 1.00 0.00 WT3 O ATOM 43703 H1 TIP3 6287 29.062 50.141 -7.789 1.00 0.00 WT3 H ATOM 43704 H2 TIP3 6287 27.555 50.138 -7.933 1.00 0.00 WT3 H ATOM 43705 OH2 TIP3 6288 30.698 13.205 63.776 1.00 0.00 WT3 O ATOM 43706 H1 TIP3 6288 29.932 13.337 64.335 1.00 0.00 WT3 H ATOM 43707 H2 TIP3 6288 31.187 12.500 64.202 1.00 0.00 WT3 H ATOM 43708 OH2 TIP3 6289 76.676 11.854 0.464 1.00 0.00 WT3 O ATOM 43709 H1 TIP3 6289 76.973 12.254 -0.354 1.00 0.00 WT3 H ATOM 43710 H2 TIP3 6289 77.437 11.899 1.043 1.00 0.00 WT3 H ATOM 43711 OH2 TIP3 6290 21.222 94.761 -4.881 1.00 0.00 WT3 O ATOM 43712 H1 TIP3 6290 20.948 93.941 -4.471 1.00 0.00 WT3 H ATOM 43713 H2 TIP3 6290 20.801 95.443 -4.359 1.00 0.00 WT3 H ATOM 43714 OH2 TIP3 6292 78.861 5.961 53.969 1.00 0.00 WT3 O ATOM 43715 H1 TIP3 6292 78.599 6.153 53.069 1.00 0.00 WT3 H ATOM 43716 H2 TIP3 6292 79.148 5.048 53.946 1.00 0.00 WT3 H ATOM 43717 OH2 TIP3 6295 85.097 75.131 36.129 1.00 0.00 WT3 O ATOM 43718 H1 TIP3 6295 84.625 74.340 35.868 1.00 0.00 WT3 H ATOM 43719 H2 TIP3 6295 84.697 75.830 35.612 1.00 0.00 WT3 H ATOM 43720 OH2 TIP3 6296 27.943 43.850 12.530 1.00 0.00 WT3 O ATOM 43721 H1 TIP3 6296 27.366 44.448 13.006 1.00 0.00 WT3 H ATOM 43722 H2 TIP3 6296 28.227 43.216 13.189 1.00 0.00 WT3 H ATOM 43723 OH2 TIP3 6297 89.051 91.529 50.004 1.00 0.00 WT3 O ATOM 43724 H1 TIP3 6297 88.603 90.743 49.691 1.00 0.00 WT3 H ATOM 43725 H2 TIP3 6297 88.862 91.555 50.941 1.00 0.00 WT3 H ATOM 43726 OH2 TIP3 6298 41.650 82.350 15.557 1.00 0.00 WT3 O ATOM 43727 H1 TIP3 6298 41.227 83.038 16.071 1.00 0.00 WT3 H ATOM 43728 H2 TIP3 6298 41.073 81.591 15.651 1.00 0.00 WT3 H ATOM 43729 OH2 TIP3 6299 33.665 31.986 54.935 1.00 0.00 WT3 O ATOM 43730 H1 TIP3 6299 33.584 32.861 55.317 1.00 0.00 WT3 H ATOM 43731 H2 TIP3 6299 34.495 32.008 54.460 1.00 0.00 WT3 H ATOM 43732 OH2 TIP3 6300 40.653 95.976 58.009 1.00 0.00 WT3 O ATOM 43733 H1 TIP3 6300 40.357 96.328 57.169 1.00 0.00 WT3 H ATOM 43734 H2 TIP3 6300 41.477 95.533 57.807 1.00 0.00 WT3 H ATOM 43735 OH2 TIP3 6301 71.302 76.501 12.114 1.00 0.00 WT3 O ATOM 43736 H1 TIP3 6301 70.817 75.711 12.352 1.00 0.00 WT3 H ATOM 43737 H2 TIP3 6301 71.082 76.651 11.195 1.00 0.00 WT3 H ATOM 43738 OH2 TIP3 6303 67.918 89.034 1.161 1.00 0.00 WT3 O ATOM 43739 H1 TIP3 6303 68.761 88.754 1.520 1.00 0.00 WT3 H ATOM 43740 H2 TIP3 6303 67.282 88.431 1.545 1.00 0.00 WT3 H ATOM 43741 OH2 TIP3 6304 63.446 59.639 -16.049 1.00 0.00 WT3 O ATOM 43742 H1 TIP3 6304 64.305 59.842 -16.419 1.00 0.00 WT3 H ATOM 43743 H2 TIP3 6304 63.030 60.492 -15.925 1.00 0.00 WT3 H ATOM 43744 OH2 TIP3 6305 53.691 68.964 1.736 1.00 0.00 WT3 O ATOM 43745 H1 TIP3 6305 53.489 68.036 1.858 1.00 0.00 WT3 H ATOM 43746 H2 TIP3 6305 53.855 69.292 2.620 1.00 0.00 WT3 H ATOM 43747 OH2 TIP3 6307 55.335 16.288 8.071 1.00 0.00 WT3 O ATOM 43748 H1 TIP3 6307 55.250 15.488 8.589 1.00 0.00 WT3 H ATOM 43749 H2 TIP3 6307 54.919 16.078 7.235 1.00 0.00 WT3 H ATOM 43750 OH2 TIP3 6308 47.348 40.457 15.806 1.00 0.00 WT3 O ATOM 43751 H1 TIP3 6308 46.665 40.646 16.449 1.00 0.00 WT3 H ATOM 43752 H2 TIP3 6308 47.986 39.925 16.282 1.00 0.00 WT3 H ATOM 43753 OH2 TIP3 6309 68.307 93.351 -19.238 1.00 0.00 WT3 O ATOM 43754 H1 TIP3 6309 69.101 93.132 -18.751 1.00 0.00 WT3 H ATOM 43755 H2 TIP3 6309 68.460 94.241 -19.558 1.00 0.00 WT3 H ATOM 43756 OH2 TIP3 6311 71.922 92.992 24.777 1.00 0.00 WT3 O ATOM 43757 H1 TIP3 6311 71.616 92.098 24.936 1.00 0.00 WT3 H ATOM 43758 H2 TIP3 6311 71.594 93.206 23.904 1.00 0.00 WT3 H ATOM 43759 OH2 TIP3 6312 33.910 75.283 62.013 1.00 0.00 WT3 O ATOM 43760 H1 TIP3 6312 34.171 75.144 61.103 1.00 0.00 WT3 H ATOM 43761 H2 TIP3 6312 34.170 76.184 62.203 1.00 0.00 WT3 H ATOM 43762 OH2 TIP3 6313 79.668 93.545 41.162 1.00 0.00 WT3 O ATOM 43763 H1 TIP3 6313 80.528 93.656 40.755 1.00 0.00 WT3 H ATOM 43764 H2 TIP3 6313 79.183 92.992 40.549 1.00 0.00 WT3 H ATOM 43765 OH2 TIP3 6317 41.690 69.709 30.895 1.00 0.00 WT3 O ATOM 43766 H1 TIP3 6317 42.341 70.341 30.590 1.00 0.00 WT3 H ATOM 43767 H2 TIP3 6317 42.206 68.974 31.226 1.00 0.00 WT3 H ATOM 43768 OH2 TIP3 6318 85.250 55.621 44.512 1.00 0.00 WT3 O ATOM 43769 H1 TIP3 6318 84.816 56.266 43.953 1.00 0.00 WT3 H ATOM 43770 H2 TIP3 6318 85.798 56.141 45.099 1.00 0.00 WT3 H ATOM 43771 OH2 TIP3 6319 38.490 94.926 59.760 1.00 0.00 WT3 O ATOM 43772 H1 TIP3 6319 37.695 95.446 59.875 1.00 0.00 WT3 H ATOM 43773 H2 TIP3 6319 39.001 95.409 59.111 1.00 0.00 WT3 H ATOM 43774 OH2 TIP3 6320 63.240 87.290 -0.927 1.00 0.00 WT3 O ATOM 43775 H1 TIP3 6320 63.842 87.066 -1.637 1.00 0.00 WT3 H ATOM 43776 H2 TIP3 6320 63.808 87.453 -0.174 1.00 0.00 WT3 H ATOM 43777 OH2 TIP3 6321 88.235 92.363 34.580 1.00 0.00 WT3 O ATOM 43778 H1 TIP3 6321 88.250 91.484 34.202 1.00 0.00 WT3 H ATOM 43779 H2 TIP3 6321 88.709 92.277 35.407 1.00 0.00 WT3 H ATOM 43780 OH2 TIP3 6323 24.459 36.261 6.352 1.00 0.00 WT3 O ATOM 43781 H1 TIP3 6323 23.874 35.897 7.016 1.00 0.00 WT3 H ATOM 43782 H2 TIP3 6323 24.738 37.102 6.713 1.00 0.00 WT3 H ATOM 43783 OH2 TIP3 6325 84.107 63.883 35.197 1.00 0.00 WT3 O ATOM 43784 H1 TIP3 6325 83.794 63.870 34.292 1.00 0.00 WT3 H ATOM 43785 H2 TIP3 6325 85.004 64.210 35.136 1.00 0.00 WT3 H ATOM 43786 OH2 TIP3 6327 87.371 89.995 45.285 1.00 0.00 WT3 O ATOM 43787 H1 TIP3 6327 87.752 90.740 44.820 1.00 0.00 WT3 H ATOM 43788 H2 TIP3 6327 86.860 90.389 45.992 1.00 0.00 WT3 H ATOM 43789 OH2 TIP3 6328 58.110 79.500 13.642 1.00 0.00 WT3 O ATOM 43790 H1 TIP3 6328 58.387 79.579 14.555 1.00 0.00 WT3 H ATOM 43791 H2 TIP3 6328 58.028 78.558 13.496 1.00 0.00 WT3 H ATOM 43792 OH2 TIP3 6329 29.621 26.768 8.455 1.00 0.00 WT3 O ATOM 43793 H1 TIP3 6329 28.961 26.565 9.118 1.00 0.00 WT3 H ATOM 43794 H2 TIP3 6329 30.415 26.952 8.956 1.00 0.00 WT3 H ATOM 43795 OH2 TIP3 6330 45.594 88.341 50.613 1.00 0.00 WT3 O ATOM 43796 H1 TIP3 6330 45.129 88.773 51.329 1.00 0.00 WT3 H ATOM 43797 H2 TIP3 6330 45.877 87.504 50.981 1.00 0.00 WT3 H ATOM 43798 OH2 TIP3 6331 75.170 76.753 36.061 1.00 0.00 WT3 O ATOM 43799 H1 TIP3 6331 75.390 77.637 36.356 1.00 0.00 WT3 H ATOM 43800 H2 TIP3 6331 75.988 76.409 35.703 1.00 0.00 WT3 H ATOM 43801 OH2 TIP3 6332 24.853 67.276 59.636 1.00 0.00 WT3 O ATOM 43802 H1 TIP3 6332 24.204 67.573 58.998 1.00 0.00 WT3 H ATOM 43803 H2 TIP3 6332 24.741 66.326 59.667 1.00 0.00 WT3 H ATOM 43804 OH2 TIP3 6333 73.122 86.707 -3.120 1.00 0.00 WT3 O ATOM 43805 H1 TIP3 6333 73.872 86.663 -3.713 1.00 0.00 WT3 H ATOM 43806 H2 TIP3 6333 72.720 87.556 -3.303 1.00 0.00 WT3 H ATOM 43807 OH2 TIP3 6335 48.256 86.098 49.543 1.00 0.00 WT3 O ATOM 43808 H1 TIP3 6335 48.301 85.149 49.430 1.00 0.00 WT3 H ATOM 43809 H2 TIP3 6335 47.750 86.406 48.791 1.00 0.00 WT3 H ATOM 43810 OH2 TIP3 6337 83.529 49.201 23.551 1.00 0.00 WT3 O ATOM 43811 H1 TIP3 6337 82.574 49.139 23.569 1.00 0.00 WT3 H ATOM 43812 H2 TIP3 6337 83.828 48.294 23.494 1.00 0.00 WT3 H ATOM 43813 OH2 TIP3 6339 86.529 6.530 57.396 1.00 0.00 WT3 O ATOM 43814 H1 TIP3 6339 86.619 6.311 58.323 1.00 0.00 WT3 H ATOM 43815 H2 TIP3 6339 87.001 5.834 56.938 1.00 0.00 WT3 H ATOM 43816 OH2 TIP3 6340 29.422 53.291 42.541 1.00 0.00 WT3 O ATOM 43817 H1 TIP3 6340 29.946 53.069 41.771 1.00 0.00 WT3 H ATOM 43818 H2 TIP3 6340 29.885 54.027 42.942 1.00 0.00 WT3 H ATOM 43819 OH2 TIP3 6342 70.169 54.922 6.222 1.00 0.00 WT3 O ATOM 43820 H1 TIP3 6342 70.435 55.492 6.943 1.00 0.00 WT3 H ATOM 43821 H2 TIP3 6342 69.302 54.604 6.475 1.00 0.00 WT3 H ATOM 43822 OH2 TIP3 6344 65.714 55.618 30.613 1.00 0.00 WT3 O ATOM 43823 H1 TIP3 6344 64.872 56.057 30.728 1.00 0.00 WT3 H ATOM 43824 H2 TIP3 6344 65.487 54.705 30.439 1.00 0.00 WT3 H ATOM 43825 OH2 TIP3 6345 55.760 76.273 -1.001 1.00 0.00 WT3 O ATOM 43826 H1 TIP3 6345 56.598 75.869 -1.226 1.00 0.00 WT3 H ATOM 43827 H2 TIP3 6345 55.429 75.749 -0.271 1.00 0.00 WT3 H ATOM 43828 OH2 TIP3 6346 38.873 6.155 20.229 1.00 0.00 WT3 O ATOM 43829 H1 TIP3 6346 39.480 6.833 19.934 1.00 0.00 WT3 H ATOM 43830 H2 TIP3 6346 39.008 6.108 21.176 1.00 0.00 WT3 H ATOM 43831 OH2 TIP3 6347 49.416 53.703 -7.646 1.00 0.00 WT3 O ATOM 43832 H1 TIP3 6347 50.097 54.372 -7.713 1.00 0.00 WT3 H ATOM 43833 H2 TIP3 6347 48.594 54.194 -7.663 1.00 0.00 WT3 H ATOM 43834 OH2 TIP3 6348 59.964 87.456 -0.311 1.00 0.00 WT3 O ATOM 43835 H1 TIP3 6348 60.497 86.769 -0.712 1.00 0.00 WT3 H ATOM 43836 H2 TIP3 6348 59.224 86.989 0.078 1.00 0.00 WT3 H ATOM 43837 OH2 TIP3 6349 49.555 88.628 38.629 1.00 0.00 WT3 O ATOM 43838 H1 TIP3 6349 49.387 88.659 39.571 1.00 0.00 WT3 H ATOM 43839 H2 TIP3 6349 48.718 88.370 38.244 1.00 0.00 WT3 H ATOM 43840 OH2 TIP3 6351 27.506 10.899 41.056 1.00 0.00 WT3 O ATOM 43841 H1 TIP3 6351 28.235 10.399 40.690 1.00 0.00 WT3 H ATOM 43842 H2 TIP3 6351 27.889 11.383 41.787 1.00 0.00 WT3 H ATOM 43843 OH2 TIP3 6353 21.203 18.752 -17.937 1.00 0.00 WT3 O ATOM 43844 H1 TIP3 6353 21.545 19.429 -18.521 1.00 0.00 WT3 H ATOM 43845 H2 TIP3 6353 20.372 19.104 -17.621 1.00 0.00 WT3 H ATOM 43846 OH2 TIP3 6356 26.496 24.401 30.119 1.00 0.00 WT3 O ATOM 43847 H1 TIP3 6356 26.246 24.414 29.195 1.00 0.00 WT3 H ATOM 43848 H2 TIP3 6356 27.336 23.942 30.134 1.00 0.00 WT3 H ATOM 43849 OH2 TIP3 6357 28.178 51.893 59.110 1.00 0.00 WT3 O ATOM 43850 H1 TIP3 6357 28.339 52.662 59.657 1.00 0.00 WT3 H ATOM 43851 H2 TIP3 6357 27.263 51.977 58.841 1.00 0.00 WT3 H ATOM 43852 OH2 TIP3 6359 42.338 15.509 6.464 1.00 0.00 WT3 O ATOM 43853 H1 TIP3 6359 41.816 15.467 7.266 1.00 0.00 WT3 H ATOM 43854 H2 TIP3 6359 42.179 16.388 6.120 1.00 0.00 WT3 H ATOM 43855 OH2 TIP3 6360 36.020 43.331 51.121 1.00 0.00 WT3 O ATOM 43856 H1 TIP3 6360 36.746 42.708 51.099 1.00 0.00 WT3 H ATOM 43857 H2 TIP3 6360 36.220 43.958 50.425 1.00 0.00 WT3 H ATOM 43858 OH2 TIP3 6361 51.161 58.809 -6.130 1.00 0.00 WT3 O ATOM 43859 H1 TIP3 6361 51.927 58.761 -5.558 1.00 0.00 WT3 H ATOM 43860 H2 TIP3 6361 50.614 59.492 -5.743 1.00 0.00 WT3 H ATOM 43861 OH2 TIP3 6362 57.412 78.110 18.700 1.00 0.00 WT3 O ATOM 43862 H1 TIP3 6362 57.052 78.986 18.560 1.00 0.00 WT3 H ATOM 43863 H2 TIP3 6362 56.743 77.654 19.211 1.00 0.00 WT3 H ATOM 43864 OH2 TIP3 6363 75.671 79.480 36.369 1.00 0.00 WT3 O ATOM 43865 H1 TIP3 6363 76.136 80.293 36.171 1.00 0.00 WT3 H ATOM 43866 H2 TIP3 6363 74.880 79.762 36.829 1.00 0.00 WT3 H ATOM 43867 OH2 TIP3 6364 47.126 9.041 -20.028 1.00 0.00 WT3 O ATOM 43868 H1 TIP3 6364 47.813 8.751 -19.428 1.00 0.00 WT3 H ATOM 43869 H2 TIP3 6364 46.450 8.366 -19.962 1.00 0.00 WT3 H ATOM 43870 OH2 TIP3 6365 89.539 94.530 33.841 1.00 0.00 WT3 O ATOM 43871 H1 TIP3 6365 90.310 94.293 33.326 1.00 0.00 WT3 H ATOM 43872 H2 TIP3 6365 89.011 93.731 33.864 1.00 0.00 WT3 H ATOM 43873 OH2 TIP3 6366 21.555 4.366 -11.353 1.00 0.00 WT3 O ATOM 43874 H1 TIP3 6366 22.099 3.963 -10.676 1.00 0.00 WT3 H ATOM 43875 H2 TIP3 6366 22.115 4.387 -12.129 1.00 0.00 WT3 H ATOM 43876 OH2 TIP3 6369 34.380 77.569 -9.762 1.00 0.00 WT3 O ATOM 43877 H1 TIP3 6369 34.010 78.451 -9.737 1.00 0.00 WT3 H ATOM 43878 H2 TIP3 6369 35.324 77.703 -9.674 1.00 0.00 WT3 H ATOM 43879 OH2 TIP3 6370 61.286 44.240 38.774 1.00 0.00 WT3 O ATOM 43880 H1 TIP3 6370 61.878 43.548 38.480 1.00 0.00 WT3 H ATOM 43881 H2 TIP3 6370 61.457 44.970 38.179 1.00 0.00 WT3 H ATOM 43882 OH2 TIP3 6371 30.832 55.592 2.846 1.00 0.00 WT3 O ATOM 43883 H1 TIP3 6371 30.107 55.553 3.470 1.00 0.00 WT3 H ATOM 43884 H2 TIP3 6371 31.512 55.039 3.232 1.00 0.00 WT3 H ATOM 43885 OH2 TIP3 6372 80.277 26.333 32.715 1.00 0.00 WT3 O ATOM 43886 H1 TIP3 6372 80.192 27.284 32.778 1.00 0.00 WT3 H ATOM 43887 H2 TIP3 6372 81.181 26.155 32.975 1.00 0.00 WT3 H ATOM 43888 OH2 TIP3 6373 57.332 9.680 -2.426 1.00 0.00 WT3 O ATOM 43889 H1 TIP3 6373 56.829 8.865 -2.427 1.00 0.00 WT3 H ATOM 43890 H2 TIP3 6373 58.124 9.473 -2.921 1.00 0.00 WT3 H ATOM 43891 OH2 TIP3 6374 69.852 74.261 48.201 1.00 0.00 WT3 O ATOM 43892 H1 TIP3 6374 69.840 73.374 48.560 1.00 0.00 WT3 H ATOM 43893 H2 TIP3 6374 69.893 74.136 47.253 1.00 0.00 WT3 H ATOM 43894 OH2 TIP3 6375 45.369 81.979 -4.320 1.00 0.00 WT3 O ATOM 43895 H1 TIP3 6375 44.666 82.375 -3.807 1.00 0.00 WT3 H ATOM 43896 H2 TIP3 6375 45.644 81.220 -3.805 1.00 0.00 WT3 H ATOM 43897 OH2 TIP3 6377 87.896 87.979 19.803 1.00 0.00 WT3 O ATOM 43898 H1 TIP3 6377 88.605 88.301 20.359 1.00 0.00 WT3 H ATOM 43899 H2 TIP3 6377 87.147 88.533 20.023 1.00 0.00 WT3 H ATOM 43900 OH2 TIP3 6380 53.481 75.326 39.072 1.00 0.00 WT3 O ATOM 43901 H1 TIP3 6380 53.284 74.431 39.347 1.00 0.00 WT3 H ATOM 43902 H2 TIP3 6380 53.228 75.355 38.149 1.00 0.00 WT3 H ATOM 43903 OH2 TIP3 6381 42.332 75.556 -18.780 1.00 0.00 WT3 O ATOM 43904 H1 TIP3 6381 42.408 75.490 -17.828 1.00 0.00 WT3 H ATOM 43905 H2 TIP3 6381 43.100 75.092 -19.114 1.00 0.00 WT3 H ATOM 43906 OH2 TIP3 6384 32.203 31.487 31.863 1.00 0.00 WT3 O ATOM 43907 H1 TIP3 6384 32.018 31.539 32.801 1.00 0.00 WT3 H ATOM 43908 H2 TIP3 6384 32.145 32.392 31.557 1.00 0.00 WT3 H ATOM 43909 OH2 TIP3 6386 29.303 87.817 34.381 1.00 0.00 WT3 O ATOM 43910 H1 TIP3 6386 28.651 88.118 33.748 1.00 0.00 WT3 H ATOM 43911 H2 TIP3 6386 29.760 88.614 34.651 1.00 0.00 WT3 H ATOM 43912 OH2 TIP3 6388 68.872 31.714 9.267 1.00 0.00 WT3 O ATOM 43913 H1 TIP3 6388 68.666 32.320 9.979 1.00 0.00 WT3 H ATOM 43914 H2 TIP3 6388 68.101 31.741 8.700 1.00 0.00 WT3 H ATOM 43915 OH2 TIP3 6390 43.831 89.401 -7.358 1.00 0.00 WT3 O ATOM 43916 H1 TIP3 6390 43.833 89.045 -6.469 1.00 0.00 WT3 H ATOM 43917 H2 TIP3 6390 42.935 89.710 -7.490 1.00 0.00 WT3 H ATOM 43918 OH2 TIP3 6391 49.692 73.153 31.480 1.00 0.00 WT3 O ATOM 43919 H1 TIP3 6391 50.257 72.776 30.806 1.00 0.00 WT3 H ATOM 43920 H2 TIP3 6391 49.074 72.453 31.694 1.00 0.00 WT3 H ATOM 43921 OH2 TIP3 6393 39.432 91.632 -8.296 1.00 0.00 WT3 O ATOM 43922 H1 TIP3 6393 38.499 91.774 -8.457 1.00 0.00 WT3 H ATOM 43923 H2 TIP3 6393 39.819 91.567 -9.169 1.00 0.00 WT3 H ATOM 43924 OH2 TIP3 6395 31.097 11.908 29.609 1.00 0.00 WT3 O ATOM 43925 H1 TIP3 6395 31.645 12.437 29.029 1.00 0.00 WT3 H ATOM 43926 H2 TIP3 6395 31.215 11.010 29.297 1.00 0.00 WT3 H ATOM 43927 OH2 TIP3 6400 87.702 45.423 53.340 1.00 0.00 WT3 O ATOM 43928 H1 TIP3 6400 88.363 44.833 53.702 1.00 0.00 WT3 H ATOM 43929 H2 TIP3 6400 88.058 46.300 53.484 1.00 0.00 WT3 H ATOM 43930 OH2 TIP3 6401 40.056 95.215 62.702 1.00 0.00 WT3 O ATOM 43931 H1 TIP3 6401 39.775 94.653 61.980 1.00 0.00 WT3 H ATOM 43932 H2 TIP3 6401 39.993 94.658 63.478 1.00 0.00 WT3 H ATOM 43933 OH2 TIP3 6403 39.280 72.322 31.883 1.00 0.00 WT3 O ATOM 43934 H1 TIP3 6403 39.074 71.392 31.782 1.00 0.00 WT3 H ATOM 43935 H2 TIP3 6403 40.223 72.342 32.046 1.00 0.00 WT3 H ATOM 43936 OH2 TIP3 6411 46.614 4.968 40.527 1.00 0.00 WT3 O ATOM 43937 H1 TIP3 6411 46.975 4.694 39.684 1.00 0.00 WT3 H ATOM 43938 H2 TIP3 6411 47.354 4.918 41.132 1.00 0.00 WT3 H ATOM 43939 OH2 TIP3 6417 39.716 90.617 28.508 1.00 0.00 WT3 O ATOM 43940 H1 TIP3 6417 40.585 90.537 28.116 1.00 0.00 WT3 H ATOM 43941 H2 TIP3 6417 39.771 91.399 29.057 1.00 0.00 WT3 H ATOM 43942 OH2 TIP3 6420 80.638 4.965 -18.968 1.00 0.00 WT3 O ATOM 43943 H1 TIP3 6420 81.202 4.512 -18.342 1.00 0.00 WT3 H ATOM 43944 H2 TIP3 6420 79.897 4.372 -19.096 1.00 0.00 WT3 H ATOM 43945 OH2 TIP3 6421 87.060 3.551 2.339 1.00 0.00 WT3 O ATOM 43946 H1 TIP3 6421 86.636 3.994 3.073 1.00 0.00 WT3 H ATOM 43947 H2 TIP3 6421 87.986 3.775 2.425 1.00 0.00 WT3 H ATOM 43948 OH2 TIP3 6424 23.307 42.542 21.468 1.00 0.00 WT3 O ATOM 43949 H1 TIP3 6424 22.589 42.817 22.039 1.00 0.00 WT3 H ATOM 43950 H2 TIP3 6424 23.224 41.590 21.420 1.00 0.00 WT3 H ATOM 43951 OH2 TIP3 6428 20.477 93.846 7.334 1.00 0.00 WT3 O ATOM 43952 H1 TIP3 6428 21.167 93.994 6.688 1.00 0.00 WT3 H ATOM 43953 H2 TIP3 6428 19.974 94.661 7.338 1.00 0.00 WT3 H ATOM 43954 OH2 TIP3 6429 68.358 17.485 -9.011 1.00 0.00 WT3 O ATOM 43955 H1 TIP3 6429 69.145 17.401 -9.549 1.00 0.00 WT3 H ATOM 43956 H2 TIP3 6429 68.668 17.366 -8.113 1.00 0.00 WT3 H ATOM 43957 OH2 TIP3 6441 74.723 21.903 42.832 1.00 0.00 WT3 O ATOM 43958 H1 TIP3 6441 74.660 21.274 43.551 1.00 0.00 WT3 H ATOM 43959 H2 TIP3 6441 75.373 21.526 42.239 1.00 0.00 WT3 H ATOM 43960 OH2 TIP3 6492 67.431 2.702 52.692 1.00 0.00 WT3 O ATOM 43961 H1 TIP3 6492 66.657 2.246 53.022 1.00 0.00 WT3 H ATOM 43962 H2 TIP3 6492 67.234 3.630 52.817 1.00 0.00 WT3 H ATOM 43963 OH2 TIP3 6499 57.705 65.807 12.644 1.00 0.00 WT3 O ATOM 43964 H1 TIP3 6499 58.534 65.817 13.123 1.00 0.00 WT3 H ATOM 43965 H2 TIP3 6499 57.353 64.929 12.791 1.00 0.00 WT3 H ATOM 43966 OH2 TIP3 6536 35.047 77.949 5.297 1.00 0.00 WT3 O ATOM 43967 H1 TIP3 6536 35.302 78.686 4.742 1.00 0.00 WT3 H ATOM 43968 H2 TIP3 6536 35.793 77.822 5.884 1.00 0.00 WT3 H ATOM 43969 OH2 TIP3 6551 71.223 61.881 57.303 1.00 0.00 WT3 O ATOM 43970 H1 TIP3 6551 71.220 62.535 56.604 1.00 0.00 WT3 H ATOM 43971 H2 TIP3 6551 70.924 62.357 58.078 1.00 0.00 WT3 H ATOM 43972 OH2 TIP3 6555 80.468 41.304 64.630 1.00 0.00 WT3 O ATOM 43973 H1 TIP3 6555 81.283 41.069 65.074 1.00 0.00 WT3 H ATOM 43974 H2 TIP3 6555 79.780 40.919 65.172 1.00 0.00 WT3 H ATOM 43975 OH2 TIP3 6569 23.287 55.729 -11.767 1.00 0.00 WT3 O ATOM 43976 H1 TIP3 6569 24.189 55.624 -11.463 1.00 0.00 WT3 H ATOM 43977 H2 TIP3 6569 22.762 55.721 -10.967 1.00 0.00 WT3 H ATOM 43978 OH2 TIP3 6571 33.848 72.778 -13.978 1.00 0.00 WT3 O ATOM 43979 H1 TIP3 6571 34.588 72.801 -13.372 1.00 0.00 WT3 H ATOM 43980 H2 TIP3 6571 34.057 72.068 -14.585 1.00 0.00 WT3 H ATOM 43981 OH2 TIP3 6575 84.618 73.346 32.386 1.00 0.00 WT3 O ATOM 43982 H1 TIP3 6575 84.437 73.086 33.290 1.00 0.00 WT3 H ATOM 43983 H2 TIP3 6575 83.962 74.015 32.193 1.00 0.00 WT3 H ATOM 43984 OH2 TIP3 6579 83.630 53.139 -14.904 1.00 0.00 WT3 O ATOM 43985 H1 TIP3 6579 84.549 53.404 -14.888 1.00 0.00 WT3 H ATOM 43986 H2 TIP3 6579 83.652 52.187 -14.807 1.00 0.00 WT3 H ATOM 43987 OH2 TIP3 6592 65.275 60.473 31.876 1.00 0.00 WT3 O ATOM 43988 H1 TIP3 6592 65.824 60.942 31.248 1.00 0.00 WT3 H ATOM 43989 H2 TIP3 6592 64.610 60.041 31.339 1.00 0.00 WT3 H ATOM 43990 OH2 TIP3 6595 72.668 75.501 14.843 1.00 0.00 WT3 O ATOM 43991 H1 TIP3 6595 71.911 75.650 14.277 1.00 0.00 WT3 H ATOM 43992 H2 TIP3 6595 72.424 75.894 15.680 1.00 0.00 WT3 H ATOM 43993 OH2 TIP3 6597 32.565 53.852 45.672 1.00 0.00 WT3 O ATOM 43994 H1 TIP3 6597 32.863 53.325 46.413 1.00 0.00 WT3 H ATOM 43995 H2 TIP3 6597 33.323 54.389 45.439 1.00 0.00 WT3 H ATOM 43996 OH2 TIP3 6602 41.652 30.084 4.555 1.00 0.00 WT3 O ATOM 43997 H1 TIP3 6602 42.130 29.707 3.817 1.00 0.00 WT3 H ATOM 43998 H2 TIP3 6602 42.275 30.685 4.963 1.00 0.00 WT3 H ATOM 43999 OH2 TIP3 6603 68.006 46.642 13.401 1.00 0.00 WT3 O ATOM 44000 H1 TIP3 6603 67.538 45.816 13.528 1.00 0.00 WT3 H ATOM 44001 H2 TIP3 6603 67.367 47.317 13.629 1.00 0.00 WT3 H ATOM 44002 OH2 TIP3 6606 83.490 76.328 25.595 1.00 0.00 WT3 O ATOM 44003 H1 TIP3 6606 82.651 76.238 26.047 1.00 0.00 WT3 H ATOM 44004 H2 TIP3 6606 84.071 75.712 26.043 1.00 0.00 WT3 H ATOM 44005 OH2 TIP3 6613 66.022 64.737 58.025 1.00 0.00 WT3 O ATOM 44006 H1 TIP3 6613 65.110 64.931 58.240 1.00 0.00 WT3 H ATOM 44007 H2 TIP3 6613 66.408 65.589 57.823 1.00 0.00 WT3 H ATOM 44008 OH2 TIP3 6614 45.104 60.590 -5.711 1.00 0.00 WT3 O ATOM 44009 H1 TIP3 6614 45.222 60.044 -4.933 1.00 0.00 WT3 H ATOM 44010 H2 TIP3 6614 45.691 60.207 -6.364 1.00 0.00 WT3 H ATOM 44011 OH2 TIP3 6615 87.335 37.693 29.969 1.00 0.00 WT3 O ATOM 44012 H1 TIP3 6615 86.467 37.402 30.249 1.00 0.00 WT3 H ATOM 44013 H2 TIP3 6615 87.183 38.129 29.131 1.00 0.00 WT3 H ATOM 44014 OH2 TIP3 6616 80.234 3.844 8.637 1.00 0.00 WT3 O ATOM 44015 H1 TIP3 6616 79.958 4.353 9.399 1.00 0.00 WT3 H ATOM 44016 H2 TIP3 6616 81.013 4.298 8.315 1.00 0.00 WT3 H ATOM 44017 OH2 TIP3 6618 82.060 67.579 -3.619 1.00 0.00 WT3 O ATOM 44018 H1 TIP3 6618 81.836 66.672 -3.823 1.00 0.00 WT3 H ATOM 44019 H2 TIP3 6618 81.216 68.014 -3.500 1.00 0.00 WT3 H ATOM 44020 OH2 TIP3 6620 27.624 44.379 1.397 1.00 0.00 WT3 O ATOM 44021 H1 TIP3 6620 27.208 43.593 1.752 1.00 0.00 WT3 H ATOM 44022 H2 TIP3 6620 27.186 45.104 1.843 1.00 0.00 WT3 H ATOM 44023 OH2 TIP3 6621 45.411 86.883 -8.449 1.00 0.00 WT3 O ATOM 44024 H1 TIP3 6621 44.948 86.339 -7.812 1.00 0.00 WT3 H ATOM 44025 H2 TIP3 6621 44.716 87.320 -8.941 1.00 0.00 WT3 H ATOM 44026 OH2 TIP3 6622 76.711 43.511 12.677 1.00 0.00 WT3 O ATOM 44027 H1 TIP3 6622 77.482 43.612 12.120 1.00 0.00 WT3 H ATOM 44028 H2 TIP3 6622 76.446 44.407 12.886 1.00 0.00 WT3 H ATOM 44029 OH2 TIP3 6623 87.735 77.319 -9.405 1.00 0.00 WT3 O ATOM 44030 H1 TIP3 6623 88.115 77.008 -10.226 1.00 0.00 WT3 H ATOM 44031 H2 TIP3 6623 88.265 76.906 -8.723 1.00 0.00 WT3 H ATOM 44032 OH2 TIP3 6625 78.583 9.156 50.395 1.00 0.00 WT3 O ATOM 44033 H1 TIP3 6625 78.752 8.390 50.944 1.00 0.00 WT3 H ATOM 44034 H2 TIP3 6625 79.219 9.086 49.683 1.00 0.00 WT3 H ATOM 44035 OH2 TIP3 6627 48.930 85.568 7.273 1.00 0.00 WT3 O ATOM 44036 H1 TIP3 6627 49.242 85.580 8.178 1.00 0.00 WT3 H ATOM 44037 H2 TIP3 6627 49.724 85.653 6.745 1.00 0.00 WT3 H ATOM 44038 OH2 TIP3 6628 59.511 74.542 53.908 1.00 0.00 WT3 O ATOM 44039 H1 TIP3 6628 59.679 74.440 52.971 1.00 0.00 WT3 H ATOM 44040 H2 TIP3 6628 59.461 75.489 54.041 1.00 0.00 WT3 H ATOM 44041 OH2 TIP3 6629 33.510 73.014 -0.014 1.00 0.00 WT3 O ATOM 44042 H1 TIP3 6629 33.405 73.551 -0.800 1.00 0.00 WT3 H ATOM 44043 H2 TIP3 6629 34.407 73.183 0.274 1.00 0.00 WT3 H ATOM 44044 OH2 TIP3 6632 66.260 8.797 13.950 1.00 0.00 WT3 O ATOM 44045 H1 TIP3 6632 66.799 9.549 13.705 1.00 0.00 WT3 H ATOM 44046 H2 TIP3 6632 66.056 8.939 14.874 1.00 0.00 WT3 H ATOM 44047 OH2 TIP3 6634 74.709 62.948 -13.631 1.00 0.00 WT3 O ATOM 44048 H1 TIP3 6634 74.637 63.727 -13.080 1.00 0.00 WT3 H ATOM 44049 H2 TIP3 6634 74.011 63.047 -14.279 1.00 0.00 WT3 H ATOM 44050 OH2 TIP3 6637 82.540 2.182 -8.039 1.00 0.00 WT3 O ATOM 44051 H1 TIP3 6637 81.778 2.761 -8.070 1.00 0.00 WT3 H ATOM 44052 H2 TIP3 6637 82.363 1.517 -8.704 1.00 0.00 WT3 H ATOM 44053 OH2 TIP3 6639 61.784 53.344 36.251 1.00 0.00 WT3 O ATOM 44054 H1 TIP3 6639 61.200 52.626 36.006 1.00 0.00 WT3 H ATOM 44055 H2 TIP3 6639 61.620 54.021 35.594 1.00 0.00 WT3 H ATOM 44056 OH2 TIP3 6640 20.988 95.097 -0.471 1.00 0.00 WT3 O ATOM 44057 H1 TIP3 6640 21.733 94.735 -0.951 1.00 0.00 WT3 H ATOM 44058 H2 TIP3 6640 21.060 94.718 0.405 1.00 0.00 WT3 H ATOM 44059 OH2 TIP3 6641 45.514 29.099 -0.499 1.00 0.00 WT3 O ATOM 44060 H1 TIP3 6641 46.076 29.530 0.145 1.00 0.00 WT3 H ATOM 44061 H2 TIP3 6641 44.623 29.306 -0.216 1.00 0.00 WT3 H ATOM 44062 OH2 TIP3 6644 55.771 7.649 -2.361 1.00 0.00 WT3 O ATOM 44063 H1 TIP3 6644 54.911 7.741 -1.950 1.00 0.00 WT3 H ATOM 44064 H2 TIP3 6644 56.207 6.963 -1.854 1.00 0.00 WT3 H ATOM 44065 OH2 TIP3 6645 26.088 92.616 -17.481 1.00 0.00 WT3 O ATOM 44066 H1 TIP3 6645 25.488 93.181 -17.969 1.00 0.00 WT3 H ATOM 44067 H2 TIP3 6645 25.749 91.732 -17.616 1.00 0.00 WT3 H ATOM 44068 OH2 TIP3 6648 53.166 68.578 22.021 1.00 0.00 WT3 O ATOM 44069 H1 TIP3 6648 53.544 67.778 21.656 1.00 0.00 WT3 H ATOM 44070 H2 TIP3 6648 52.263 68.582 21.704 1.00 0.00 WT3 H ATOM 44071 OH2 TIP3 6649 82.667 78.519 57.047 1.00 0.00 WT3 O ATOM 44072 H1 TIP3 6649 81.952 79.077 57.351 1.00 0.00 WT3 H ATOM 44073 H2 TIP3 6649 83.404 79.117 56.924 1.00 0.00 WT3 H ATOM 44074 OH2 TIP3 6650 65.414 54.049 33.506 1.00 0.00 WT3 O ATOM 44075 H1 TIP3 6650 64.568 53.674 33.260 1.00 0.00 WT3 H ATOM 44076 H2 TIP3 6650 65.307 54.991 33.373 1.00 0.00 WT3 H ATOM 44077 OH2 TIP3 6651 66.493 64.260 38.816 1.00 0.00 WT3 O ATOM 44078 H1 TIP3 6651 66.943 64.882 38.244 1.00 0.00 WT3 H ATOM 44079 H2 TIP3 6651 67.189 63.693 39.149 1.00 0.00 WT3 H ATOM 44080 OH2 TIP3 6652 54.107 91.038 -12.827 1.00 0.00 WT3 O ATOM 44081 H1 TIP3 6652 53.593 91.645 -12.294 1.00 0.00 WT3 H ATOM 44082 H2 TIP3 6652 54.555 90.480 -12.190 1.00 0.00 WT3 H ATOM 44083 OH2 TIP3 6653 20.927 6.675 -18.549 1.00 0.00 WT3 O ATOM 44084 H1 TIP3 6653 21.645 6.042 -18.554 1.00 0.00 WT3 H ATOM 44085 H2 TIP3 6653 20.168 6.179 -18.853 1.00 0.00 WT3 H ATOM 44086 OH2 TIP3 6655 51.889 4.694 -15.127 1.00 0.00 WT3 O ATOM 44087 H1 TIP3 6655 51.460 5.223 -14.455 1.00 0.00 WT3 H ATOM 44088 H2 TIP3 6655 52.753 4.498 -14.764 1.00 0.00 WT3 H ATOM 44089 OH2 TIP3 6658 37.135 60.347 35.576 1.00 0.00 WT3 O ATOM 44090 H1 TIP3 6658 37.116 60.222 36.525 1.00 0.00 WT3 H ATOM 44091 H2 TIP3 6658 37.320 59.476 35.223 1.00 0.00 WT3 H ATOM 44092 OH2 TIP3 6659 60.994 41.408 48.799 1.00 0.00 WT3 O ATOM 44093 H1 TIP3 6659 60.079 41.575 49.025 1.00 0.00 WT3 H ATOM 44094 H2 TIP3 6659 61.330 42.259 48.517 1.00 0.00 WT3 H ATOM 44095 OH2 TIP3 6660 40.818 10.212 49.260 1.00 0.00 WT3 O ATOM 44096 H1 TIP3 6660 40.792 10.871 49.954 1.00 0.00 WT3 H ATOM 44097 H2 TIP3 6660 39.907 9.934 49.160 1.00 0.00 WT3 H ATOM 44098 OH2 TIP3 6661 58.386 78.490 -13.732 1.00 0.00 WT3 O ATOM 44099 H1 TIP3 6661 58.709 79.203 -14.283 1.00 0.00 WT3 H ATOM 44100 H2 TIP3 6661 59.148 78.217 -13.221 1.00 0.00 WT3 H ATOM 44101 OH2 TIP3 6662 56.023 12.516 52.918 1.00 0.00 WT3 O ATOM 44102 H1 TIP3 6662 56.614 13.238 52.708 1.00 0.00 WT3 H ATOM 44103 H2 TIP3 6662 55.236 12.940 53.260 1.00 0.00 WT3 H ATOM 44104 OH2 TIP3 6664 44.517 69.373 52.138 1.00 0.00 WT3 O ATOM 44105 H1 TIP3 6664 43.830 69.871 51.696 1.00 0.00 WT3 H ATOM 44106 H2 TIP3 6664 44.930 68.863 51.441 1.00 0.00 WT3 H ATOM 44107 OH2 TIP3 6665 89.025 11.017 -6.936 1.00 0.00 WT3 O ATOM 44108 H1 TIP3 6665 89.369 11.269 -6.078 1.00 0.00 WT3 H ATOM 44109 H2 TIP3 6665 89.631 11.412 -7.563 1.00 0.00 WT3 H ATOM 44110 OH2 TIP3 6666 38.941 38.172 24.508 1.00 0.00 WT3 O ATOM 44111 H1 TIP3 6666 39.554 37.450 24.368 1.00 0.00 WT3 H ATOM 44112 H2 TIP3 6666 39.491 38.955 24.521 1.00 0.00 WT3 H ATOM 44113 OH2 TIP3 6668 63.120 9.869 25.105 1.00 0.00 WT3 O ATOM 44114 H1 TIP3 6668 63.100 10.187 26.007 1.00 0.00 WT3 H ATOM 44115 H2 TIP3 6668 64.051 9.820 24.888 1.00 0.00 WT3 H ATOM 44116 OH2 TIP3 6670 32.828 84.687 63.516 1.00 0.00 WT3 O ATOM 44117 H1 TIP3 6670 32.142 84.588 62.856 1.00 0.00 WT3 H ATOM 44118 H2 TIP3 6670 32.729 83.922 64.083 1.00 0.00 WT3 H ATOM 44119 OH2 TIP3 6671 28.037 84.953 8.871 1.00 0.00 WT3 O ATOM 44120 H1 TIP3 6671 27.500 84.179 8.699 1.00 0.00 WT3 H ATOM 44121 H2 TIP3 6671 27.963 85.478 8.074 1.00 0.00 WT3 H ATOM 44122 OH2 TIP3 6673 65.919 9.551 22.138 1.00 0.00 WT3 O ATOM 44123 H1 TIP3 6673 65.830 10.205 22.830 1.00 0.00 WT3 H ATOM 44124 H2 TIP3 6673 66.599 8.956 22.455 1.00 0.00 WT3 H ATOM 44125 OH2 TIP3 6674 43.175 60.527 39.356 1.00 0.00 WT3 O ATOM 44126 H1 TIP3 6674 42.562 61.043 39.879 1.00 0.00 WT3 H ATOM 44127 H2 TIP3 6674 43.574 59.923 39.981 1.00 0.00 WT3 H ATOM 44128 OH2 TIP3 6677 89.706 11.358 57.166 1.00 0.00 WT3 O ATOM 44129 H1 TIP3 6677 88.778 11.138 57.250 1.00 0.00 WT3 H ATOM 44130 H2 TIP3 6677 89.712 12.288 56.939 1.00 0.00 WT3 H ATOM 44131 OH2 TIP3 6679 25.184 37.986 14.638 1.00 0.00 WT3 O ATOM 44132 H1 TIP3 6679 24.577 37.312 14.334 1.00 0.00 WT3 H ATOM 44133 H2 TIP3 6679 25.676 37.566 15.343 1.00 0.00 WT3 H ATOM 44134 OH2 TIP3 6680 31.145 80.868 25.891 1.00 0.00 WT3 O ATOM 44135 H1 TIP3 6680 30.335 80.471 25.572 1.00 0.00 WT3 H ATOM 44136 H2 TIP3 6680 31.839 80.306 25.547 1.00 0.00 WT3 H ATOM 44137 OH2 TIP3 6681 30.095 57.894 17.761 1.00 0.00 WT3 O ATOM 44138 H1 TIP3 6681 31.039 57.741 17.793 1.00 0.00 WT3 H ATOM 44139 H2 TIP3 6681 29.937 58.563 18.428 1.00 0.00 WT3 H ATOM 44140 OH2 TIP3 6682 73.811 49.547 44.875 1.00 0.00 WT3 O ATOM 44141 H1 TIP3 6682 74.040 50.476 44.862 1.00 0.00 WT3 H ATOM 44142 H2 TIP3 6682 73.851 49.302 45.800 1.00 0.00 WT3 H ATOM 44143 OH2 TIP3 6684 84.186 10.027 42.031 1.00 0.00 WT3 O ATOM 44144 H1 TIP3 6684 84.563 10.516 42.762 1.00 0.00 WT3 H ATOM 44145 H2 TIP3 6684 84.142 9.124 42.343 1.00 0.00 WT3 H ATOM 44146 OH2 TIP3 6685 34.977 11.532 54.734 1.00 0.00 WT3 O ATOM 44147 H1 TIP3 6685 34.845 11.389 55.672 1.00 0.00 WT3 H ATOM 44148 H2 TIP3 6685 35.630 12.230 54.688 1.00 0.00 WT3 H ATOM 44149 OH2 TIP3 6686 82.183 58.507 -5.024 1.00 0.00 WT3 O ATOM 44150 H1 TIP3 6686 82.093 58.824 -4.125 1.00 0.00 WT3 H ATOM 44151 H2 TIP3 6686 81.835 57.615 -4.999 1.00 0.00 WT3 H ATOM 44152 OH2 TIP3 6687 43.405 64.842 -0.725 1.00 0.00 WT3 O ATOM 44153 H1 TIP3 6687 44.191 64.628 -0.222 1.00 0.00 WT3 H ATOM 44154 H2 TIP3 6687 42.679 64.572 -0.163 1.00 0.00 WT3 H ATOM 44155 OH2 TIP3 6689 90.207 43.292 35.775 1.00 0.00 WT3 O ATOM 44156 H1 TIP3 6689 90.834 43.947 35.467 1.00 0.00 WT3 H ATOM 44157 H2 TIP3 6689 90.327 42.548 35.185 1.00 0.00 WT3 H ATOM 44158 OH2 TIP3 6690 59.547 64.824 -9.788 1.00 0.00 WT3 O ATOM 44159 H1 TIP3 6690 58.785 65.392 -9.679 1.00 0.00 WT3 H ATOM 44160 H2 TIP3 6690 60.212 65.386 -10.185 1.00 0.00 WT3 H ATOM 44161 OH2 TIP3 6691 69.101 62.913 47.026 1.00 0.00 WT3 O ATOM 44162 H1 TIP3 6691 68.554 63.143 46.275 1.00 0.00 WT3 H ATOM 44163 H2 TIP3 6691 69.125 61.956 47.020 1.00 0.00 WT3 H ATOM 44164 OH2 TIP3 6692 77.876 92.250 1.858 1.00 0.00 WT3 O ATOM 44165 H1 TIP3 6692 77.367 93.047 2.006 1.00 0.00 WT3 H ATOM 44166 H2 TIP3 6692 78.690 92.393 2.342 1.00 0.00 WT3 H ATOM 44167 OH2 TIP3 6694 81.347 43.062 30.562 1.00 0.00 WT3 O ATOM 44168 H1 TIP3 6694 81.754 43.374 31.370 1.00 0.00 WT3 H ATOM 44169 H2 TIP3 6694 81.946 43.340 29.868 1.00 0.00 WT3 H ATOM 44170 OH2 TIP3 6695 83.334 78.746 32.817 1.00 0.00 WT3 O ATOM 44171 H1 TIP3 6695 84.109 79.302 32.897 1.00 0.00 WT3 H ATOM 44172 H2 TIP3 6695 82.693 79.292 32.361 1.00 0.00 WT3 H ATOM 44173 OH2 TIP3 6697 63.402 93.489 -18.973 1.00 0.00 WT3 O ATOM 44174 H1 TIP3 6697 64.187 93.914 -19.317 1.00 0.00 WT3 H ATOM 44175 H2 TIP3 6697 62.689 94.092 -19.186 1.00 0.00 WT3 H ATOM 44176 OH2 TIP3 6698 59.037 19.093 44.167 1.00 0.00 WT3 O ATOM 44177 H1 TIP3 6698 58.774 19.841 43.630 1.00 0.00 WT3 H ATOM 44178 H2 TIP3 6698 59.666 19.456 44.791 1.00 0.00 WT3 H ATOM 44179 OH2 TIP3 6700 89.823 59.738 27.895 1.00 0.00 WT3 O ATOM 44180 H1 TIP3 6700 90.096 60.201 27.103 1.00 0.00 WT3 H ATOM 44181 H2 TIP3 6700 89.957 58.813 27.690 1.00 0.00 WT3 H ATOM 44182 OH2 TIP3 6701 55.046 84.592 -8.106 1.00 0.00 WT3 O ATOM 44183 H1 TIP3 6701 55.626 85.166 -8.604 1.00 0.00 WT3 H ATOM 44184 H2 TIP3 6701 55.574 83.814 -7.926 1.00 0.00 WT3 H ATOM 44185 OH2 TIP3 6702 54.464 14.313 9.815 1.00 0.00 WT3 O ATOM 44186 H1 TIP3 6702 54.913 14.672 10.581 1.00 0.00 WT3 H ATOM 44187 H2 TIP3 6702 53.765 13.770 10.180 1.00 0.00 WT3 H ATOM 44188 OH2 TIP3 6703 67.011 57.457 45.737 1.00 0.00 WT3 O ATOM 44189 H1 TIP3 6703 67.658 56.805 46.007 1.00 0.00 WT3 H ATOM 44190 H2 TIP3 6703 66.368 57.465 46.446 1.00 0.00 WT3 H ATOM 44191 OH2 TIP3 6704 22.532 13.707 1.298 1.00 0.00 WT3 O ATOM 44192 H1 TIP3 6704 21.834 14.347 1.437 1.00 0.00 WT3 H ATOM 44193 H2 TIP3 6704 22.960 13.992 0.490 1.00 0.00 WT3 H ATOM 44194 OH2 TIP3 6705 59.331 83.105 -9.604 1.00 0.00 WT3 O ATOM 44195 H1 TIP3 6705 59.023 82.458 -10.239 1.00 0.00 WT3 H ATOM 44196 H2 TIP3 6705 59.614 82.586 -8.851 1.00 0.00 WT3 H ATOM 44197 OH2 TIP3 6706 21.595 62.987 18.926 1.00 0.00 WT3 O ATOM 44198 H1 TIP3 6706 22.295 63.555 19.249 1.00 0.00 WT3 H ATOM 44199 H2 TIP3 6706 21.774 62.136 19.326 1.00 0.00 WT3 H ATOM 44200 OH2 TIP3 6708 43.897 8.900 -14.495 1.00 0.00 WT3 O ATOM 44201 H1 TIP3 6708 43.980 9.740 -14.044 1.00 0.00 WT3 H ATOM 44202 H2 TIP3 6708 43.999 9.115 -15.423 1.00 0.00 WT3 H ATOM 44203 OH2 TIP3 6709 58.267 31.963 -13.778 1.00 0.00 WT3 O ATOM 44204 H1 TIP3 6709 58.626 32.848 -13.851 1.00 0.00 WT3 H ATOM 44205 H2 TIP3 6709 57.424 32.009 -14.231 1.00 0.00 WT3 H ATOM 44206 OH2 TIP3 6710 21.339 30.014 42.374 1.00 0.00 WT3 O ATOM 44207 H1 TIP3 6710 21.779 29.784 43.193 1.00 0.00 WT3 H ATOM 44208 H2 TIP3 6710 21.644 30.901 42.179 1.00 0.00 WT3 H ATOM 44209 OH2 TIP3 6712 83.500 35.241 33.479 1.00 0.00 WT3 O ATOM 44210 H1 TIP3 6712 84.311 34.950 33.062 1.00 0.00 WT3 H ATOM 44211 H2 TIP3 6712 83.788 35.723 34.254 1.00 0.00 WT3 H ATOM 44212 OH2 TIP3 6714 65.326 77.731 56.913 1.00 0.00 WT3 O ATOM 44213 H1 TIP3 6714 64.619 77.348 56.394 1.00 0.00 WT3 H ATOM 44214 H2 TIP3 6714 64.920 77.939 57.755 1.00 0.00 WT3 H ATOM 44215 OH2 TIP3 6715 53.147 61.507 -1.183 1.00 0.00 WT3 O ATOM 44216 H1 TIP3 6715 53.681 61.099 -0.501 1.00 0.00 WT3 H ATOM 44217 H2 TIP3 6715 52.262 61.519 -0.819 1.00 0.00 WT3 H ATOM 44218 OH2 TIP3 6716 46.828 88.190 30.686 1.00 0.00 WT3 O ATOM 44219 H1 TIP3 6716 46.922 87.278 30.960 1.00 0.00 WT3 H ATOM 44220 H2 TIP3 6716 46.771 88.683 31.505 1.00 0.00 WT3 H ATOM 44221 OH2 TIP3 6717 55.960 87.911 59.563 1.00 0.00 WT3 O ATOM 44222 H1 TIP3 6717 55.869 88.850 59.403 1.00 0.00 WT3 H ATOM 44223 H2 TIP3 6717 55.471 87.497 58.852 1.00 0.00 WT3 H ATOM 44224 OH2 TIP3 6718 69.368 11.390 8.016 1.00 0.00 WT3 O ATOM 44225 H1 TIP3 6718 70.090 11.939 8.321 1.00 0.00 WT3 H ATOM 44226 H2 TIP3 6718 69.048 10.953 8.806 1.00 0.00 WT3 H ATOM 44227 OH2 TIP3 6719 64.051 19.538 54.920 1.00 0.00 WT3 O ATOM 44228 H1 TIP3 6719 63.398 19.440 54.227 1.00 0.00 WT3 H ATOM 44229 H2 TIP3 6719 64.117 18.668 55.313 1.00 0.00 WT3 H ATOM 44230 OH2 TIP3 6720 25.199 28.352 -1.500 1.00 0.00 WT3 O ATOM 44231 H1 TIP3 6720 25.698 28.867 -0.867 1.00 0.00 WT3 H ATOM 44232 H2 TIP3 6720 24.312 28.708 -1.455 1.00 0.00 WT3 H ATOM 44233 OH2 TIP3 6721 33.858 26.677 13.862 1.00 0.00 WT3 O ATOM 44234 H1 TIP3 6721 32.907 26.749 13.932 1.00 0.00 WT3 H ATOM 44235 H2 TIP3 6721 34.194 27.367 14.434 1.00 0.00 WT3 H ATOM 44236 OH2 TIP3 6722 64.469 6.614 -13.473 1.00 0.00 WT3 O ATOM 44237 H1 TIP3 6722 65.028 7.091 -12.859 1.00 0.00 WT3 H ATOM 44238 H2 TIP3 6722 64.222 7.266 -14.129 1.00 0.00 WT3 H ATOM 44239 OH2 TIP3 6723 76.634 54.741 -12.974 1.00 0.00 WT3 O ATOM 44240 H1 TIP3 6723 76.558 54.338 -12.109 1.00 0.00 WT3 H ATOM 44241 H2 TIP3 6723 75.787 55.164 -13.117 1.00 0.00 WT3 H ATOM 44242 OH2 TIP3 6724 39.677 55.543 58.570 1.00 0.00 WT3 O ATOM 44243 H1 TIP3 6724 40.211 54.787 58.328 1.00 0.00 WT3 H ATOM 44244 H2 TIP3 6724 39.664 56.089 57.784 1.00 0.00 WT3 H ATOM 44245 OH2 TIP3 6726 55.503 64.258 48.520 1.00 0.00 WT3 O ATOM 44246 H1 TIP3 6726 56.378 63.942 48.745 1.00 0.00 WT3 H ATOM 44247 H2 TIP3 6726 55.553 64.458 47.585 1.00 0.00 WT3 H ATOM 44248 OH2 TIP3 6727 38.911 76.127 0.196 1.00 0.00 WT3 O ATOM 44249 H1 TIP3 6727 38.788 75.283 -0.240 1.00 0.00 WT3 H ATOM 44250 H2 TIP3 6727 39.818 76.366 0.006 1.00 0.00 WT3 H ATOM 44251 OH2 TIP3 6728 47.985 73.681 25.574 1.00 0.00 WT3 O ATOM 44252 H1 TIP3 6728 48.430 74.280 24.975 1.00 0.00 WT3 H ATOM 44253 H2 TIP3 6728 48.342 72.819 25.361 1.00 0.00 WT3 H ATOM 44254 OH2 TIP3 6729 50.142 28.786 20.363 1.00 0.00 WT3 O ATOM 44255 H1 TIP3 6729 50.419 29.572 20.833 1.00 0.00 WT3 H ATOM 44256 H2 TIP3 6729 49.186 28.836 20.354 1.00 0.00 WT3 H ATOM 44257 OH2 TIP3 6730 70.221 94.641 59.628 1.00 0.00 WT3 O ATOM 44258 H1 TIP3 6730 70.675 94.039 60.217 1.00 0.00 WT3 H ATOM 44259 H2 TIP3 6730 69.736 95.226 60.210 1.00 0.00 WT3 H ATOM 44260 OH2 TIP3 6731 37.758 11.956 -17.229 1.00 0.00 WT3 O ATOM 44261 H1 TIP3 6731 36.875 11.719 -17.511 1.00 0.00 WT3 H ATOM 44262 H2 TIP3 6731 37.799 12.906 -17.342 1.00 0.00 WT3 H ATOM 44263 OH2 TIP3 6732 28.100 69.038 48.231 1.00 0.00 WT3 O ATOM 44264 H1 TIP3 6732 27.523 68.279 48.151 1.00 0.00 WT3 H ATOM 44265 H2 TIP3 6732 28.633 69.018 47.436 1.00 0.00 WT3 H ATOM 44266 OH2 TIP3 6733 36.784 12.506 17.357 1.00 0.00 WT3 O ATOM 44267 H1 TIP3 6733 37.396 13.219 17.176 1.00 0.00 WT3 H ATOM 44268 H2 TIP3 6733 36.385 12.739 18.196 1.00 0.00 WT3 H ATOM 44269 OH2 TIP3 6734 29.486 96.616 15.290 1.00 0.00 WT3 O ATOM 44270 H1 TIP3 6734 29.623 95.701 15.045 1.00 0.00 WT3 H ATOM 44271 H2 TIP3 6734 29.948 97.117 14.617 1.00 0.00 WT3 H ATOM 44272 OH2 TIP3 6735 51.286 58.291 58.662 1.00 0.00 WT3 O ATOM 44273 H1 TIP3 6735 51.661 58.661 57.863 1.00 0.00 WT3 H ATOM 44274 H2 TIP3 6735 50.431 58.713 58.744 1.00 0.00 WT3 H ATOM 44275 OH2 TIP3 6736 52.222 88.196 25.424 1.00 0.00 WT3 O ATOM 44276 H1 TIP3 6736 52.586 87.970 26.279 1.00 0.00 WT3 H ATOM 44277 H2 TIP3 6736 51.770 87.402 25.137 1.00 0.00 WT3 H ATOM 44278 OH2 TIP3 6737 61.401 53.379 30.438 1.00 0.00 WT3 O ATOM 44279 H1 TIP3 6737 60.470 53.584 30.523 1.00 0.00 WT3 H ATOM 44280 H2 TIP3 6737 61.423 52.563 29.938 1.00 0.00 WT3 H ATOM 44281 OH2 TIP3 6738 62.787 82.325 21.459 1.00 0.00 WT3 O ATOM 44282 H1 TIP3 6738 62.771 81.859 20.623 1.00 0.00 WT3 H ATOM 44283 H2 TIP3 6738 61.937 82.136 21.855 1.00 0.00 WT3 H ATOM 44284 OH2 TIP3 6739 25.324 22.324 -18.049 1.00 0.00 WT3 O ATOM 44285 H1 TIP3 6739 25.224 22.226 -17.102 1.00 0.00 WT3 H ATOM 44286 H2 TIP3 6739 25.186 21.443 -18.397 1.00 0.00 WT3 H ATOM 44287 OH2 TIP3 6740 26.485 3.734 34.894 1.00 0.00 WT3 O ATOM 44288 H1 TIP3 6740 26.247 2.856 35.193 1.00 0.00 WT3 H ATOM 44289 H2 TIP3 6740 26.872 4.153 35.663 1.00 0.00 WT3 H ATOM 44290 OH2 TIP3 6741 51.535 74.559 33.118 1.00 0.00 WT3 O ATOM 44291 H1 TIP3 6741 51.847 73.859 33.692 1.00 0.00 WT3 H ATOM 44292 H2 TIP3 6741 50.845 74.151 32.595 1.00 0.00 WT3 H ATOM 44293 OH2 TIP3 6742 40.585 94.835 14.409 1.00 0.00 WT3 O ATOM 44294 H1 TIP3 6742 40.347 95.321 13.620 1.00 0.00 WT3 H ATOM 44295 H2 TIP3 6742 40.353 95.419 15.131 1.00 0.00 WT3 H ATOM 44296 OH2 TIP3 6743 82.549 58.092 63.056 1.00 0.00 WT3 O ATOM 44297 H1 TIP3 6743 82.603 58.930 63.515 1.00 0.00 WT3 H ATOM 44298 H2 TIP3 6743 82.192 57.485 63.705 1.00 0.00 WT3 H ATOM 44299 OH2 TIP3 6744 87.242 77.648 12.332 1.00 0.00 WT3 O ATOM 44300 H1 TIP3 6744 87.979 78.255 12.391 1.00 0.00 WT3 H ATOM 44301 H2 TIP3 6744 86.594 77.995 12.945 1.00 0.00 WT3 H ATOM 44302 OH2 TIP3 6745 85.478 27.990 14.013 1.00 0.00 WT3 O ATOM 44303 H1 TIP3 6745 84.801 27.867 14.679 1.00 0.00 WT3 H ATOM 44304 H2 TIP3 6745 85.064 27.711 13.196 1.00 0.00 WT3 H ATOM 44305 OH2 TIP3 6746 59.226 5.469 12.315 1.00 0.00 WT3 O ATOM 44306 H1 TIP3 6746 58.303 5.702 12.412 1.00 0.00 WT3 H ATOM 44307 H2 TIP3 6746 59.217 4.658 11.807 1.00 0.00 WT3 H ATOM 44308 OH2 TIP3 6747 84.123 77.070 40.891 1.00 0.00 WT3 O ATOM 44309 H1 TIP3 6747 84.147 77.872 41.413 1.00 0.00 WT3 H ATOM 44310 H2 TIP3 6747 84.388 76.380 41.499 1.00 0.00 WT3 H ATOM 44311 OH2 TIP3 6749 45.203 26.811 28.527 1.00 0.00 WT3 O ATOM 44312 H1 TIP3 6749 45.735 27.146 27.805 1.00 0.00 WT3 H ATOM 44313 H2 TIP3 6749 44.310 26.801 28.182 1.00 0.00 WT3 H ATOM 44314 OH2 TIP3 6750 60.751 68.064 40.926 1.00 0.00 WT3 O ATOM 44315 H1 TIP3 6750 60.947 67.220 40.520 1.00 0.00 WT3 H ATOM 44316 H2 TIP3 6750 59.838 68.234 40.697 1.00 0.00 WT3 H ATOM 44317 OH2 TIP3 6751 31.764 37.080 19.256 1.00 0.00 WT3 O ATOM 44318 H1 TIP3 6751 30.877 37.322 18.990 1.00 0.00 WT3 H ATOM 44319 H2 TIP3 6751 32.132 36.640 18.490 1.00 0.00 WT3 H ATOM 44320 OH2 TIP3 6752 77.822 58.845 61.244 1.00 0.00 WT3 O ATOM 44321 H1 TIP3 6752 77.249 58.571 60.528 1.00 0.00 WT3 H ATOM 44322 H2 TIP3 6752 77.463 58.410 62.018 1.00 0.00 WT3 H ATOM 44323 OH2 TIP3 6753 28.675 4.366 6.981 1.00 0.00 WT3 O ATOM 44324 H1 TIP3 6753 29.452 4.690 7.435 1.00 0.00 WT3 H ATOM 44325 H2 TIP3 6753 28.017 4.270 7.669 1.00 0.00 WT3 H ATOM 44326 OH2 TIP3 6755 60.028 85.012 35.896 1.00 0.00 WT3 O ATOM 44327 H1 TIP3 6755 59.736 85.208 35.005 1.00 0.00 WT3 H ATOM 44328 H2 TIP3 6755 59.442 84.315 36.192 1.00 0.00 WT3 H ATOM 44329 OH2 TIP3 6757 32.114 91.832 44.352 1.00 0.00 WT3 O ATOM 44330 H1 TIP3 6757 32.953 91.699 43.910 1.00 0.00 WT3 H ATOM 44331 H2 TIP3 6757 31.725 92.585 43.906 1.00 0.00 WT3 H ATOM 44332 OH2 TIP3 6760 90.113 86.572 47.819 1.00 0.00 WT3 O ATOM 44333 H1 TIP3 6760 90.632 87.363 47.674 1.00 0.00 WT3 H ATOM 44334 H2 TIP3 6760 89.462 86.581 47.118 1.00 0.00 WT3 H ATOM 44335 OH2 TIP3 6761 75.428 66.925 29.214 1.00 0.00 WT3 O ATOM 44336 H1 TIP3 6761 74.538 66.801 29.542 1.00 0.00 WT3 H ATOM 44337 H2 TIP3 6761 75.351 67.629 28.570 1.00 0.00 WT3 H ATOM 44338 OH2 TIP3 6762 64.451 84.476 33.340 1.00 0.00 WT3 O ATOM 44339 H1 TIP3 6762 63.968 84.760 32.564 1.00 0.00 WT3 H ATOM 44340 H2 TIP3 6762 63.861 83.865 33.780 1.00 0.00 WT3 H ATOM 44341 OH2 TIP3 6763 79.458 29.161 25.569 1.00 0.00 WT3 O ATOM 44342 H1 TIP3 6763 80.366 29.461 25.521 1.00 0.00 WT3 H ATOM 44343 H2 TIP3 6763 78.942 29.906 25.260 1.00 0.00 WT3 H ATOM 44344 OH2 TIP3 6764 55.425 87.060 -18.707 1.00 0.00 WT3 O ATOM 44345 H1 TIP3 6764 55.852 87.677 -18.113 1.00 0.00 WT3 H ATOM 44346 H2 TIP3 6764 55.648 87.376 -19.583 1.00 0.00 WT3 H ATOM 44347 OH2 TIP3 6765 62.044 86.243 -15.532 1.00 0.00 WT3 O ATOM 44348 H1 TIP3 6765 62.424 87.035 -15.152 1.00 0.00 WT3 H ATOM 44349 H2 TIP3 6765 61.222 86.121 -15.057 1.00 0.00 WT3 H ATOM 44350 OH2 TIP3 6766 71.087 32.474 49.067 1.00 0.00 WT3 O ATOM 44351 H1 TIP3 6766 70.242 32.921 49.120 1.00 0.00 WT3 H ATOM 44352 H2 TIP3 6766 70.919 31.600 49.418 1.00 0.00 WT3 H ATOM 44353 OH2 TIP3 6767 58.346 68.643 61.105 1.00 0.00 WT3 O ATOM 44354 H1 TIP3 6767 58.714 67.794 61.348 1.00 0.00 WT3 H ATOM 44355 H2 TIP3 6767 57.496 68.671 61.544 1.00 0.00 WT3 H ATOM 44356 OH2 TIP3 6769 44.837 38.950 -4.821 1.00 0.00 WT3 O ATOM 44357 H1 TIP3 6769 45.082 39.838 -5.079 1.00 0.00 WT3 H ATOM 44358 H2 TIP3 6769 45.412 38.746 -4.084 1.00 0.00 WT3 H ATOM 44359 OH2 TIP3 6770 82.739 41.395 60.524 1.00 0.00 WT3 O ATOM 44360 H1 TIP3 6770 82.412 42.294 60.560 1.00 0.00 WT3 H ATOM 44361 H2 TIP3 6770 82.270 40.999 59.790 1.00 0.00 WT3 H ATOM 44362 OH2 TIP3 6771 38.665 90.282 10.614 1.00 0.00 WT3 O ATOM 44363 H1 TIP3 6771 38.599 89.712 11.380 1.00 0.00 WT3 H ATOM 44364 H2 TIP3 6771 37.757 90.464 10.372 1.00 0.00 WT3 H ATOM 44365 OH2 TIP3 6772 31.735 92.836 -18.067 1.00 0.00 WT3 O ATOM 44366 H1 TIP3 6772 32.488 93.209 -18.524 1.00 0.00 WT3 H ATOM 44367 H2 TIP3 6772 32.116 92.300 -17.372 1.00 0.00 WT3 H ATOM 44368 OH2 TIP3 6773 74.481 85.762 32.394 1.00 0.00 WT3 O ATOM 44369 H1 TIP3 6773 75.138 86.016 33.042 1.00 0.00 WT3 H ATOM 44370 H2 TIP3 6773 74.074 84.977 32.760 1.00 0.00 WT3 H ATOM 44371 OH2 TIP3 6774 57.737 3.432 42.412 1.00 0.00 WT3 O ATOM 44372 H1 TIP3 6774 57.509 2.539 42.156 1.00 0.00 WT3 H ATOM 44373 H2 TIP3 6774 58.690 3.419 42.503 1.00 0.00 WT3 H ATOM 44374 OH2 TIP3 6775 84.529 91.646 -6.274 1.00 0.00 WT3 O ATOM 44375 H1 TIP3 6775 83.971 92.022 -6.954 1.00 0.00 WT3 H ATOM 44376 H2 TIP3 6775 84.749 90.773 -6.599 1.00 0.00 WT3 H ATOM 44377 OH2 TIP3 6776 21.910 89.044 40.971 1.00 0.00 WT3 O ATOM 44378 H1 TIP3 6776 22.008 88.597 40.130 1.00 0.00 WT3 H ATOM 44379 H2 TIP3 6776 21.203 88.574 41.413 1.00 0.00 WT3 H ATOM 44380 OH2 TIP3 6778 32.275 73.024 51.554 1.00 0.00 WT3 O ATOM 44381 H1 TIP3 6778 32.212 73.920 51.224 1.00 0.00 WT3 H ATOM 44382 H2 TIP3 6778 31.841 72.492 50.887 1.00 0.00 WT3 H ATOM 44383 OH2 TIP3 6779 63.347 16.941 66.451 1.00 0.00 WT3 O ATOM 44384 H1 TIP3 6779 63.826 17.734 66.211 1.00 0.00 WT3 H ATOM 44385 H2 TIP3 6779 62.427 17.204 66.444 1.00 0.00 WT3 H ATOM 44386 OH2 TIP3 6780 51.709 72.136 52.147 1.00 0.00 WT3 O ATOM 44387 H1 TIP3 6780 51.058 71.434 52.149 1.00 0.00 WT3 H ATOM 44388 H2 TIP3 6780 52.453 71.774 52.629 1.00 0.00 WT3 H ATOM 44389 OH2 TIP3 6781 27.367 88.628 32.634 1.00 0.00 WT3 O ATOM 44390 H1 TIP3 6781 26.907 89.178 32.000 1.00 0.00 WT3 H ATOM 44391 H2 TIP3 6781 26.902 87.792 32.608 1.00 0.00 WT3 H ATOM 44392 OH2 TIP3 6782 53.097 54.614 56.684 1.00 0.00 WT3 O ATOM 44393 H1 TIP3 6782 53.267 55.095 55.874 1.00 0.00 WT3 H ATOM 44394 H2 TIP3 6782 52.303 55.015 57.038 1.00 0.00 WT3 H ATOM 44395 OH2 TIP3 6783 22.624 35.504 -2.754 1.00 0.00 WT3 O ATOM 44396 H1 TIP3 6783 22.066 36.144 -2.312 1.00 0.00 WT3 H ATOM 44397 H2 TIP3 6783 23.514 35.828 -2.618 1.00 0.00 WT3 H ATOM 44398 OH2 TIP3 6785 42.399 78.306 10.717 1.00 0.00 WT3 O ATOM 44399 H1 TIP3 6785 43.346 78.216 10.609 1.00 0.00 WT3 H ATOM 44400 H2 TIP3 6785 42.094 77.419 10.908 1.00 0.00 WT3 H ATOM 44401 OH2 TIP3 6786 47.139 0.134 11.076 1.00 0.00 WT3 O ATOM 44402 H1 TIP3 6786 46.268 0.034 10.691 1.00 0.00 WT3 H ATOM 44403 H2 TIP3 6786 47.033 0.819 11.735 1.00 0.00 WT3 H ATOM 44404 OH2 TIP3 6787 54.633 20.940 17.675 1.00 0.00 WT3 O ATOM 44405 H1 TIP3 6787 54.558 21.409 16.843 1.00 0.00 WT3 H ATOM 44406 H2 TIP3 6787 53.885 20.343 17.682 1.00 0.00 WT3 H ATOM 44407 OH2 TIP3 6788 24.864 92.015 19.539 1.00 0.00 WT3 O ATOM 44408 H1 TIP3 6788 25.275 92.825 19.235 1.00 0.00 WT3 H ATOM 44409 H2 TIP3 6788 25.567 91.366 19.516 1.00 0.00 WT3 H ATOM 44410 OH2 TIP3 6789 59.717 77.836 6.962 1.00 0.00 WT3 O ATOM 44411 H1 TIP3 6789 58.925 77.634 7.461 1.00 0.00 WT3 H ATOM 44412 H2 TIP3 6789 60.429 77.469 7.486 1.00 0.00 WT3 H ATOM 44413 OH2 TIP3 6791 71.441 94.559 -0.645 1.00 0.00 WT3 O ATOM 44414 H1 TIP3 6791 70.566 94.172 -0.617 1.00 0.00 WT3 H ATOM 44415 H2 TIP3 6791 71.955 94.034 -0.031 1.00 0.00 WT3 H ATOM 44416 OH2 TIP3 6792 58.204 94.250 -8.508 1.00 0.00 WT3 O ATOM 44417 H1 TIP3 6792 58.398 95.111 -8.139 1.00 0.00 WT3 H ATOM 44418 H2 TIP3 6792 58.615 93.632 -7.904 1.00 0.00 WT3 H ATOM 44419 OH2 TIP3 6794 54.092 80.185 8.225 1.00 0.00 WT3 O ATOM 44420 H1 TIP3 6794 54.186 81.105 8.470 1.00 0.00 WT3 H ATOM 44421 H2 TIP3 6794 54.845 79.751 8.626 1.00 0.00 WT3 H ATOM 44422 OH2 TIP3 6795 74.359 43.900 41.649 1.00 0.00 WT3 O ATOM 44423 H1 TIP3 6795 75.237 43.652 41.360 1.00 0.00 WT3 H ATOM 44424 H2 TIP3 6795 73.836 43.909 40.848 1.00 0.00 WT3 H ATOM 44425 OH2 TIP3 6799 58.979 78.282 44.748 1.00 0.00 WT3 O ATOM 44426 H1 TIP3 6799 58.606 77.517 45.185 1.00 0.00 WT3 H ATOM 44427 H2 TIP3 6799 58.462 79.020 45.071 1.00 0.00 WT3 H ATOM 44428 OH2 TIP3 6800 30.719 44.870 16.882 1.00 0.00 WT3 O ATOM 44429 H1 TIP3 6800 31.050 43.976 16.795 1.00 0.00 WT3 H ATOM 44430 H2 TIP3 6800 31.386 45.414 16.463 1.00 0.00 WT3 H ATOM 44431 OH2 TIP3 6802 24.646 86.286 40.067 1.00 0.00 WT3 O ATOM 44432 H1 TIP3 6802 24.385 85.377 40.215 1.00 0.00 WT3 H ATOM 44433 H2 TIP3 6802 25.373 86.228 39.447 1.00 0.00 WT3 H ATOM 44434 OH2 TIP3 6803 68.111 19.279 23.501 1.00 0.00 WT3 O ATOM 44435 H1 TIP3 6803 68.519 19.759 22.780 1.00 0.00 WT3 H ATOM 44436 H2 TIP3 6803 67.207 19.595 23.519 1.00 0.00 WT3 H ATOM 44437 OH2 TIP3 6804 77.754 68.189 30.358 1.00 0.00 WT3 O ATOM 44438 H1 TIP3 6804 77.801 68.943 29.770 1.00 0.00 WT3 H ATOM 44439 H2 TIP3 6804 76.980 67.706 30.068 1.00 0.00 WT3 H ATOM 44440 OH2 TIP3 6806 65.238 63.654 16.083 1.00 0.00 WT3 O ATOM 44441 H1 TIP3 6806 64.783 64.228 15.467 1.00 0.00 WT3 H ATOM 44442 H2 TIP3 6806 64.732 62.841 16.071 1.00 0.00 WT3 H ATOM 44443 OH2 TIP3 6808 62.362 2.450 12.028 1.00 0.00 WT3 O ATOM 44444 H1 TIP3 6808 62.769 1.857 12.660 1.00 0.00 WT3 H ATOM 44445 H2 TIP3 6808 63.022 2.560 11.344 1.00 0.00 WT3 H ATOM 44446 OH2 TIP3 6813 45.170 28.215 -12.572 1.00 0.00 WT3 O ATOM 44447 H1 TIP3 6813 44.465 28.190 -11.925 1.00 0.00 WT3 H ATOM 44448 H2 TIP3 6813 45.889 28.663 -12.125 1.00 0.00 WT3 H ATOM 44449 OH2 TIP3 6814 75.939 88.885 15.435 1.00 0.00 WT3 O ATOM 44450 H1 TIP3 6814 76.712 88.904 14.870 1.00 0.00 WT3 H ATOM 44451 H2 TIP3 6814 76.290 88.781 16.319 1.00 0.00 WT3 H ATOM 44452 OH2 TIP3 6817 45.236 85.558 17.641 1.00 0.00 WT3 O ATOM 44453 H1 TIP3 6817 44.690 86.323 17.460 1.00 0.00 WT3 H ATOM 44454 H2 TIP3 6817 45.739 85.426 16.837 1.00 0.00 WT3 H ATOM 44455 OH2 TIP3 6818 31.437 40.959 -1.725 1.00 0.00 WT3 O ATOM 44456 H1 TIP3 6818 32.270 40.497 -1.633 1.00 0.00 WT3 H ATOM 44457 H2 TIP3 6818 31.676 41.816 -2.078 1.00 0.00 WT3 H ATOM 44458 OH2 TIP3 6819 33.211 44.585 13.227 1.00 0.00 WT3 O ATOM 44459 H1 TIP3 6819 32.942 45.413 12.829 1.00 0.00 WT3 H ATOM 44460 H2 TIP3 6819 34.025 44.793 13.686 1.00 0.00 WT3 H ATOM 44461 OH2 TIP3 6820 44.600 68.402 -9.217 1.00 0.00 WT3 O ATOM 44462 H1 TIP3 6820 44.091 68.959 -8.629 1.00 0.00 WT3 H ATOM 44463 H2 TIP3 6820 45.385 68.913 -9.413 1.00 0.00 WT3 H ATOM 44464 OH2 TIP3 6823 82.082 88.093 41.664 1.00 0.00 WT3 O ATOM 44465 H1 TIP3 6823 81.650 87.312 42.008 1.00 0.00 WT3 H ATOM 44466 H2 TIP3 6823 82.360 87.845 40.782 1.00 0.00 WT3 H ATOM 44467 OH2 TIP3 6824 56.551 16.710 39.362 1.00 0.00 WT3 O ATOM 44468 H1 TIP3 6824 55.791 17.259 39.169 1.00 0.00 WT3 H ATOM 44469 H2 TIP3 6824 56.957 16.555 38.510 1.00 0.00 WT3 H ATOM 44470 OH2 TIP3 6825 51.357 21.885 4.505 1.00 0.00 WT3 O ATOM 44471 H1 TIP3 6825 51.893 22.031 5.284 1.00 0.00 WT3 H ATOM 44472 H2 TIP3 6825 51.558 20.988 4.239 1.00 0.00 WT3 H ATOM 44473 OH2 TIP3 6826 59.118 12.591 63.011 1.00 0.00 WT3 O ATOM 44474 H1 TIP3 6826 59.226 12.434 62.073 1.00 0.00 WT3 H ATOM 44475 H2 TIP3 6826 59.743 11.997 63.427 1.00 0.00 WT3 H ATOM 44476 OH2 TIP3 6827 71.762 24.833 -1.332 1.00 0.00 WT3 O ATOM 44477 H1 TIP3 6827 72.418 24.225 -1.672 1.00 0.00 WT3 H ATOM 44478 H2 TIP3 6827 72.225 25.668 -1.258 1.00 0.00 WT3 H ATOM 44479 OH2 TIP3 6837 23.700 81.426 40.976 1.00 0.00 WT3 O ATOM 44480 H1 TIP3 6837 24.281 80.727 40.678 1.00 0.00 WT3 H ATOM 44481 H2 TIP3 6837 22.818 81.092 40.812 1.00 0.00 WT3 H ATOM 44482 OH2 TIP3 6838 67.681 78.241 17.916 1.00 0.00 WT3 O ATOM 44483 H1 TIP3 6838 68.554 78.598 18.081 1.00 0.00 WT3 H ATOM 44484 H2 TIP3 6838 67.744 77.847 17.046 1.00 0.00 WT3 H ATOM 44485 OH2 TIP3 6841 70.430 70.487 42.889 1.00 0.00 WT3 O ATOM 44486 H1 TIP3 6841 70.635 69.574 43.092 1.00 0.00 WT3 H ATOM 44487 H2 TIP3 6841 69.913 70.443 42.085 1.00 0.00 WT3 H ATOM 44488 OH2 TIP3 6842 57.699 95.151 -11.098 1.00 0.00 WT3 O ATOM 44489 H1 TIP3 6842 58.010 94.942 -10.218 1.00 0.00 WT3 H ATOM 44490 H2 TIP3 6842 57.394 94.315 -11.450 1.00 0.00 WT3 H ATOM 44491 OH2 TIP3 6843 25.508 1.764 -16.259 1.00 0.00 WT3 O ATOM 44492 H1 TIP3 6843 24.873 1.204 -16.706 1.00 0.00 WT3 H ATOM 44493 H2 TIP3 6843 25.455 1.501 -15.340 1.00 0.00 WT3 H ATOM 44494 OH2 TIP3 6845 39.746 65.649 61.320 1.00 0.00 WT3 O ATOM 44495 H1 TIP3 6845 40.577 65.452 60.888 1.00 0.00 WT3 H ATOM 44496 H2 TIP3 6845 39.082 65.262 60.750 1.00 0.00 WT3 H ATOM 44497 OH2 TIP3 6853 87.948 73.177 65.091 1.00 0.00 WT3 O ATOM 44498 H1 TIP3 6853 87.205 73.092 64.494 1.00 0.00 WT3 H ATOM 44499 H2 TIP3 6853 88.706 73.289 64.517 1.00 0.00 WT3 H ATOM 44500 OH2 TIP3 6855 44.825 85.305 5.526 1.00 0.00 WT3 O ATOM 44501 H1 TIP3 6855 44.799 85.446 4.579 1.00 0.00 WT3 H ATOM 44502 H2 TIP3 6855 45.358 84.517 5.636 1.00 0.00 WT3 H ATOM 44503 OH2 TIP3 6857 64.599 67.603 3.109 1.00 0.00 WT3 O ATOM 44504 H1 TIP3 6857 64.818 68.038 2.285 1.00 0.00 WT3 H ATOM 44505 H2 TIP3 6857 65.424 67.217 3.403 1.00 0.00 WT3 H ATOM 44506 OH2 TIP3 6860 52.490 23.442 -12.950 1.00 0.00 WT3 O ATOM 44507 H1 TIP3 6860 52.193 24.161 -12.393 1.00 0.00 WT3 H ATOM 44508 H2 TIP3 6860 53.418 23.341 -12.736 1.00 0.00 WT3 H ATOM 44509 OH2 TIP3 6863 23.092 24.741 36.102 1.00 0.00 WT3 O ATOM 44510 H1 TIP3 6863 23.635 24.029 35.764 1.00 0.00 WT3 H ATOM 44511 H2 TIP3 6863 23.151 24.657 37.054 1.00 0.00 WT3 H ATOM 44512 OH2 TIP3 6864 64.168 91.957 -14.138 1.00 0.00 WT3 O ATOM 44513 H1 TIP3 6864 64.189 91.400 -13.360 1.00 0.00 WT3 H ATOM 44514 H2 TIP3 6864 64.735 91.511 -14.767 1.00 0.00 WT3 H ATOM 44515 OH2 TIP3 6865 60.933 83.016 32.530 1.00 0.00 WT3 O ATOM 44516 H1 TIP3 6865 60.152 82.795 33.037 1.00 0.00 WT3 H ATOM 44517 H2 TIP3 6865 60.971 82.350 31.844 1.00 0.00 WT3 H ATOM 44518 OH2 TIP3 6872 87.581 15.775 -12.445 1.00 0.00 WT3 O ATOM 44519 H1 TIP3 6872 86.758 16.254 -12.347 1.00 0.00 WT3 H ATOM 44520 H2 TIP3 6872 88.235 16.453 -12.613 1.00 0.00 WT3 H ATOM 44521 OH2 TIP3 6877 60.409 84.386 -1.793 1.00 0.00 WT3 O ATOM 44522 H1 TIP3 6877 59.950 83.569 -1.599 1.00 0.00 WT3 H ATOM 44523 H2 TIP3 6877 60.692 84.292 -2.703 1.00 0.00 WT3 H ATOM 44524 OH2 TIP3 6878 74.617 95.977 8.955 1.00 0.00 WT3 O ATOM 44525 H1 TIP3 6878 74.955 96.767 9.376 1.00 0.00 WT3 H ATOM 44526 H2 TIP3 6878 73.702 96.180 8.762 1.00 0.00 WT3 H ATOM 44527 OH2 TIP3 6881 61.426 15.875 15.547 1.00 0.00 WT3 O ATOM 44528 H1 TIP3 6881 61.229 16.812 15.562 1.00 0.00 WT3 H ATOM 44529 H2 TIP3 6881 61.683 15.670 16.446 1.00 0.00 WT3 H ATOM 44530 OH2 TIP3 6892 57.538 92.575 4.282 1.00 0.00 WT3 O ATOM 44531 H1 TIP3 6892 58.324 92.595 3.736 1.00 0.00 WT3 H ATOM 44532 H2 TIP3 6892 57.763 93.109 5.044 1.00 0.00 WT3 H ATOM 44533 OH2 TIP3 6895 87.222 15.152 48.294 1.00 0.00 WT3 O ATOM 44534 H1 TIP3 6895 86.504 14.606 48.614 1.00 0.00 WT3 H ATOM 44535 H2 TIP3 6895 87.158 15.957 48.807 1.00 0.00 WT3 H ATOM 44536 OH2 TIP3 6896 74.615 93.595 25.271 1.00 0.00 WT3 O ATOM 44537 H1 TIP3 6896 73.693 93.659 25.022 1.00 0.00 WT3 H ATOM 44538 H2 TIP3 6896 75.079 93.471 24.443 1.00 0.00 WT3 H ATOM 44539 OH2 TIP3 6909 54.775 10.427 36.494 1.00 0.00 WT3 O ATOM 44540 H1 TIP3 6909 54.793 10.336 37.447 1.00 0.00 WT3 H ATOM 44541 H2 TIP3 6909 55.034 9.566 36.165 1.00 0.00 WT3 H ATOM 44542 OH2 TIP3 6916 49.907 12.297 -11.430 1.00 0.00 WT3 O ATOM 44543 H1 TIP3 6916 49.637 13.023 -11.992 1.00 0.00 WT3 H ATOM 44544 H2 TIP3 6916 50.085 12.703 -10.582 1.00 0.00 WT3 H ATOM 44545 OH2 TIP3 6921 80.364 82.531 7.607 1.00 0.00 WT3 O ATOM 44546 H1 TIP3 6921 80.023 82.451 8.498 1.00 0.00 WT3 H ATOM 44547 H2 TIP3 6921 80.815 81.702 7.448 1.00 0.00 WT3 H ATOM 44548 OH2 TIP3 6952 42.188 -0.083 29.008 1.00 0.00 WT3 O ATOM 44549 H1 TIP3 6952 43.048 -0.275 29.380 1.00 0.00 WT3 H ATOM 44550 H2 TIP3 6952 42.301 0.755 28.560 1.00 0.00 WT3 H ATOM 44551 OH2 TIP3 6953 71.730 67.730 -10.081 1.00 0.00 WT3 O ATOM 44552 H1 TIP3 6953 72.232 68.484 -10.392 1.00 0.00 WT3 H ATOM 44553 H2 TIP3 6953 72.282 67.339 -9.403 1.00 0.00 WT3 H ATOM 44554 OH2 TIP3 6955 49.614 47.257 1.685 1.00 0.00 WT3 O ATOM 44555 H1 TIP3 6955 50.363 46.896 1.212 1.00 0.00 WT3 H ATOM 44556 H2 TIP3 6955 49.977 47.550 2.521 1.00 0.00 WT3 H ATOM 44557 OH2 TIP3 6967 62.667 3.024 29.959 1.00 0.00 WT3 O ATOM 44558 H1 TIP3 6967 63.150 3.658 29.429 1.00 0.00 WT3 H ATOM 44559 H2 TIP3 6967 62.994 3.156 30.849 1.00 0.00 WT3 H ATOM 44560 OH2 TIP3 6976 71.761 86.172 52.722 1.00 0.00 WT3 O ATOM 44561 H1 TIP3 6976 71.205 85.475 52.371 1.00 0.00 WT3 H ATOM 44562 H2 TIP3 6976 72.633 85.979 52.379 1.00 0.00 WT3 H ATOM 44563 OH2 TIP3 6979 45.179 22.950 33.771 1.00 0.00 WT3 O ATOM 44564 H1 TIP3 6979 46.033 22.845 33.351 1.00 0.00 WT3 H ATOM 44565 H2 TIP3 6979 45.222 22.391 34.547 1.00 0.00 WT3 H ATOM 44566 OH2 TIP3 6988 27.604 40.097 8.069 1.00 0.00 WT3 O ATOM 44567 H1 TIP3 6988 27.547 40.451 8.957 1.00 0.00 WT3 H ATOM 44568 H2 TIP3 6988 27.075 40.691 7.538 1.00 0.00 WT3 H ATOM 44569 OH2 TIP3 6994 63.191 55.888 37.422 1.00 0.00 WT3 O ATOM 44570 H1 TIP3 6994 62.799 56.598 37.931 1.00 0.00 WT3 H ATOM 44571 H2 TIP3 6994 62.584 55.753 36.693 1.00 0.00 WT3 H ATOM 44572 OH2 TIP3 7003 60.982 69.596 24.560 1.00 0.00 WT3 O ATOM 44573 H1 TIP3 7003 60.325 69.936 23.952 1.00 0.00 WT3 H ATOM 44574 H2 TIP3 7003 60.904 68.645 24.489 1.00 0.00 WT3 H ATOM 44575 OH2 TIP3 7012 30.802 55.892 51.581 1.00 0.00 WT3 O ATOM 44576 H1 TIP3 7012 31.122 56.795 51.583 1.00 0.00 WT3 H ATOM 44577 H2 TIP3 7012 30.725 55.668 50.653 1.00 0.00 WT3 H ATOM 44578 OH2 TIP3 7016 61.373 45.400 11.085 1.00 0.00 WT3 O ATOM 44579 H1 TIP3 7016 60.665 44.756 11.112 1.00 0.00 WT3 H ATOM 44580 H2 TIP3 7016 61.028 46.156 11.559 1.00 0.00 WT3 H ATOM 44581 OH2 TIP3 7017 36.946 83.321 -6.725 1.00 0.00 WT3 O ATOM 44582 H1 TIP3 7017 37.232 84.175 -6.402 1.00 0.00 WT3 H ATOM 44583 H2 TIP3 7017 37.103 83.356 -7.669 1.00 0.00 WT3 H ATOM 44584 OH2 TIP3 7019 51.850 66.919 49.601 1.00 0.00 WT3 O ATOM 44585 H1 TIP3 7019 51.895 67.862 49.756 1.00 0.00 WT3 H ATOM 44586 H2 TIP3 7019 52.130 66.811 48.692 1.00 0.00 WT3 H ATOM 44587 OH2 TIP3 7020 23.781 73.519 -19.364 1.00 0.00 WT3 O ATOM 44588 H1 TIP3 7020 24.538 74.010 -19.046 1.00 0.00 WT3 H ATOM 44589 H2 TIP3 7020 23.633 72.848 -18.697 1.00 0.00 WT3 H ATOM 44590 OH2 TIP3 7021 58.816 77.378 16.349 1.00 0.00 WT3 O ATOM 44591 H1 TIP3 7021 59.514 76.743 16.511 1.00 0.00 WT3 H ATOM 44592 H2 TIP3 7021 58.523 77.641 17.221 1.00 0.00 WT3 H ATOM 44593 OH2 TIP3 7023 23.791 72.638 16.696 1.00 0.00 WT3 O ATOM 44594 H1 TIP3 7023 23.731 72.673 17.650 1.00 0.00 WT3 H ATOM 44595 H2 TIP3 7023 24.384 71.907 16.519 1.00 0.00 WT3 H ATOM 44596 OH2 TIP3 7027 43.346 23.450 -3.857 1.00 0.00 WT3 O ATOM 44597 H1 TIP3 7027 44.260 23.398 -4.137 1.00 0.00 WT3 H ATOM 44598 H2 TIP3 7027 43.099 22.544 -3.672 1.00 0.00 WT3 H ATOM 44599 OH2 TIP3 7029 56.520 83.837 14.932 1.00 0.00 WT3 O ATOM 44600 H1 TIP3 7029 56.265 82.928 15.089 1.00 0.00 WT3 H ATOM 44601 H2 TIP3 7029 55.959 84.123 14.211 1.00 0.00 WT3 H ATOM 44602 OH2 TIP3 7040 41.983 64.314 -18.083 1.00 0.00 WT3 O ATOM 44603 H1 TIP3 7040 41.093 64.630 -17.928 1.00 0.00 WT3 H ATOM 44604 H2 TIP3 7040 42.255 63.942 -17.244 1.00 0.00 WT3 H ATOM 44605 OH2 TIP3 7041 27.576 72.326 5.250 1.00 0.00 WT3 O ATOM 44606 H1 TIP3 7041 28.361 71.807 5.427 1.00 0.00 WT3 H ATOM 44607 H2 TIP3 7041 27.910 73.174 4.958 1.00 0.00 WT3 H ATOM 44608 OH2 TIP3 7042 49.253 1.635 22.972 1.00 0.00 WT3 O ATOM 44609 H1 TIP3 7042 49.790 2.386 22.720 1.00 0.00 WT3 H ATOM 44610 H2 TIP3 7042 48.688 1.966 23.670 1.00 0.00 WT3 H ATOM 44611 OH2 TIP3 7043 22.337 29.793 38.450 1.00 0.00 WT3 O ATOM 44612 H1 TIP3 7043 21.540 29.349 38.740 1.00 0.00 WT3 H ATOM 44613 H2 TIP3 7043 22.024 30.546 37.948 1.00 0.00 WT3 H ATOM 44614 OH2 TIP3 7048 63.929 85.728 39.089 1.00 0.00 WT3 O ATOM 44615 H1 TIP3 7048 64.265 85.300 39.876 1.00 0.00 WT3 H ATOM 44616 H2 TIP3 7048 63.079 85.316 38.936 1.00 0.00 WT3 H ATOM 44617 OH2 TIP3 7050 71.369 60.096 26.032 1.00 0.00 WT3 O ATOM 44618 H1 TIP3 7050 72.040 59.617 26.519 1.00 0.00 WT3 H ATOM 44619 H2 TIP3 7050 71.239 60.902 26.532 1.00 0.00 WT3 H ATOM 44620 OH2 TIP3 7051 88.995 68.189 51.411 1.00 0.00 WT3 O ATOM 44621 H1 TIP3 7051 89.488 68.257 50.593 1.00 0.00 WT3 H ATOM 44622 H2 TIP3 7051 88.296 68.837 51.325 1.00 0.00 WT3 H ATOM 44623 OH2 TIP3 7052 21.727 19.314 60.002 1.00 0.00 WT3 O ATOM 44624 H1 TIP3 7052 22.536 18.843 59.802 1.00 0.00 WT3 H ATOM 44625 H2 TIP3 7052 22.013 20.202 60.218 1.00 0.00 WT3 H ATOM 44626 OH2 TIP3 7053 56.377 58.124 19.733 1.00 0.00 WT3 O ATOM 44627 H1 TIP3 7053 55.564 57.666 19.515 1.00 0.00 WT3 H ATOM 44628 H2 TIP3 7053 56.476 58.778 19.040 1.00 0.00 WT3 H ATOM 44629 OH2 TIP3 7054 50.296 58.536 5.501 1.00 0.00 WT3 O ATOM 44630 H1 TIP3 7054 50.823 58.192 4.780 1.00 0.00 WT3 H ATOM 44631 H2 TIP3 7054 50.822 58.370 6.284 1.00 0.00 WT3 H ATOM 44632 OH2 TIP3 7056 47.979 74.718 5.330 1.00 0.00 WT3 O ATOM 44633 H1 TIP3 7056 48.904 74.789 5.093 1.00 0.00 WT3 H ATOM 44634 H2 TIP3 7056 47.889 73.832 5.681 1.00 0.00 WT3 H ATOM 44635 OH2 TIP3 7058 84.175 77.222 -1.307 1.00 0.00 WT3 O ATOM 44636 H1 TIP3 7058 83.611 76.477 -1.517 1.00 0.00 WT3 H ATOM 44637 H2 TIP3 7058 83.618 77.808 -0.795 1.00 0.00 WT3 H ATOM 44638 OH2 TIP3 7059 86.573 25.453 1.533 1.00 0.00 WT3 O ATOM 44639 H1 TIP3 7059 86.600 25.598 0.587 1.00 0.00 WT3 H ATOM 44640 H2 TIP3 7059 87.460 25.172 1.758 1.00 0.00 WT3 H ATOM 44641 OH2 TIP3 7060 54.378 89.167 39.992 1.00 0.00 WT3 O ATOM 44642 H1 TIP3 7060 54.500 89.100 39.045 1.00 0.00 WT3 H ATOM 44643 H2 TIP3 7060 55.065 88.613 40.362 1.00 0.00 WT3 H ATOM 44644 OH2 TIP3 7062 31.499 19.625 54.591 1.00 0.00 WT3 O ATOM 44645 H1 TIP3 7062 32.039 18.976 54.140 1.00 0.00 WT3 H ATOM 44646 H2 TIP3 7062 32.120 20.294 54.880 1.00 0.00 WT3 H ATOM 44647 OH2 TIP3 7063 25.370 85.359 58.311 1.00 0.00 WT3 O ATOM 44648 H1 TIP3 7063 24.729 85.964 57.937 1.00 0.00 WT3 H ATOM 44649 H2 TIP3 7063 25.169 85.345 59.246 1.00 0.00 WT3 H ATOM 44650 OH2 TIP3 7065 81.601 19.915 -3.862 1.00 0.00 WT3 O ATOM 44651 H1 TIP3 7065 82.010 19.071 -3.674 1.00 0.00 WT3 H ATOM 44652 H2 TIP3 7065 82.305 20.554 -3.748 1.00 0.00 WT3 H ATOM 44653 OH2 TIP3 7069 63.980 46.538 60.265 1.00 0.00 WT3 O ATOM 44654 H1 TIP3 7069 64.072 47.122 59.512 1.00 0.00 WT3 H ATOM 44655 H2 TIP3 7069 64.842 46.547 60.682 1.00 0.00 WT3 H ATOM 44656 OH2 TIP3 7071 28.729 65.167 28.969 1.00 0.00 WT3 O ATOM 44657 H1 TIP3 7071 28.110 65.789 29.352 1.00 0.00 WT3 H ATOM 44658 H2 TIP3 7071 29.129 65.643 28.241 1.00 0.00 WT3 H ATOM 44659 OH2 TIP3 7073 54.281 95.966 25.688 1.00 0.00 WT3 O ATOM 44660 H1 TIP3 7073 53.617 96.629 25.496 1.00 0.00 WT3 H ATOM 44661 H2 TIP3 7073 55.012 96.460 26.059 1.00 0.00 WT3 H ATOM 44662 OH2 TIP3 7074 65.920 59.625 38.754 1.00 0.00 WT3 O ATOM 44663 H1 TIP3 7074 65.097 60.106 38.850 1.00 0.00 WT3 H ATOM 44664 H2 TIP3 7074 65.652 58.715 38.625 1.00 0.00 WT3 H ATOM 44665 OH2 TIP3 7075 20.579 65.132 62.111 1.00 0.00 WT3 O ATOM 44666 H1 TIP3 7075 21.062 64.499 61.580 1.00 0.00 WT3 H ATOM 44667 H2 TIP3 7075 19.659 64.961 61.911 1.00 0.00 WT3 H ATOM 44668 OH2 TIP3 7076 88.597 14.389 -16.453 1.00 0.00 WT3 O ATOM 44669 H1 TIP3 7076 89.539 14.307 -16.303 1.00 0.00 WT3 H ATOM 44670 H2 TIP3 7076 88.196 13.934 -15.712 1.00 0.00 WT3 H ATOM 44671 OH2 TIP3 7077 61.478 26.373 64.259 1.00 0.00 WT3 O ATOM 44672 H1 TIP3 7077 61.774 27.134 63.760 1.00 0.00 WT3 H ATOM 44673 H2 TIP3 7077 61.721 26.571 65.164 1.00 0.00 WT3 H ATOM 44674 OH2 TIP3 7078 50.852 36.016 51.506 1.00 0.00 WT3 O ATOM 44675 H1 TIP3 7078 50.616 36.864 51.130 1.00 0.00 WT3 H ATOM 44676 H2 TIP3 7078 50.089 35.462 51.344 1.00 0.00 WT3 H ATOM 44677 OH2 TIP3 7079 89.938 34.494 20.408 1.00 0.00 WT3 O ATOM 44678 H1 TIP3 7079 89.846 35.420 20.181 1.00 0.00 WT3 H ATOM 44679 H2 TIP3 7079 89.120 34.274 20.853 1.00 0.00 WT3 H ATOM 44680 OH2 TIP3 7081 82.531 80.536 -19.738 1.00 0.00 WT3 O ATOM 44681 H1 TIP3 7081 81.760 81.062 -19.951 1.00 0.00 WT3 H ATOM 44682 H2 TIP3 7081 82.651 80.656 -18.796 1.00 0.00 WT3 H ATOM 44683 OH2 TIP3 7082 28.402 20.283 42.258 1.00 0.00 WT3 O ATOM 44684 H1 TIP3 7082 29.069 20.953 42.109 1.00 0.00 WT3 H ATOM 44685 H2 TIP3 7082 28.879 19.454 42.212 1.00 0.00 WT3 H ATOM 44686 OH2 TIP3 7086 25.306 95.760 32.596 1.00 0.00 WT3 O ATOM 44687 H1 TIP3 7086 24.872 96.610 32.528 1.00 0.00 WT3 H ATOM 44688 H2 TIP3 7086 26.206 95.927 32.316 1.00 0.00 WT3 H ATOM 44689 OH2 TIP3 7088 58.154 88.447 27.570 1.00 0.00 WT3 O ATOM 44690 H1 TIP3 7088 58.042 87.649 27.053 1.00 0.00 WT3 H ATOM 44691 H2 TIP3 7088 57.293 88.605 27.957 1.00 0.00 WT3 H ATOM 44692 OH2 TIP3 7089 80.889 56.677 55.991 1.00 0.00 WT3 O ATOM 44693 H1 TIP3 7089 81.512 57.063 56.607 1.00 0.00 WT3 H ATOM 44694 H2 TIP3 7089 80.712 55.805 56.343 1.00 0.00 WT3 H ATOM 44695 OH2 TIP3 7090 44.617 93.032 10.082 1.00 0.00 WT3 O ATOM 44696 H1 TIP3 7090 44.238 92.757 9.247 1.00 0.00 WT3 H ATOM 44697 H2 TIP3 7090 45.488 92.636 10.092 1.00 0.00 WT3 H ATOM 44698 OH2 TIP3 7091 59.927 22.665 -4.406 1.00 0.00 WT3 O ATOM 44699 H1 TIP3 7091 59.356 22.651 -3.638 1.00 0.00 WT3 H ATOM 44700 H2 TIP3 7091 60.809 22.552 -4.052 1.00 0.00 WT3 H ATOM 44701 OH2 TIP3 7092 75.158 53.760 15.152 1.00 0.00 WT3 O ATOM 44702 H1 TIP3 7092 74.289 53.373 15.262 1.00 0.00 WT3 H ATOM 44703 H2 TIP3 7092 75.621 53.544 15.961 1.00 0.00 WT3 H ATOM 44704 OH2 TIP3 7095 74.541 4.349 38.967 1.00 0.00 WT3 O ATOM 44705 H1 TIP3 7095 75.147 4.945 39.407 1.00 0.00 WT3 H ATOM 44706 H2 TIP3 7095 74.386 3.651 39.603 1.00 0.00 WT3 H ATOM 44707 OH2 TIP3 7096 66.548 39.612 -12.790 1.00 0.00 WT3 O ATOM 44708 H1 TIP3 7096 67.442 39.404 -13.060 1.00 0.00 WT3 H ATOM 44709 H2 TIP3 7096 66.109 39.878 -13.598 1.00 0.00 WT3 H ATOM 44710 OH2 TIP3 7097 36.798 37.063 2.484 1.00 0.00 WT3 O ATOM 44711 H1 TIP3 7097 37.132 37.950 2.613 1.00 0.00 WT3 H ATOM 44712 H2 TIP3 7097 36.375 36.843 3.314 1.00 0.00 WT3 H ATOM 44713 OH2 TIP3 7098 79.622 11.054 60.109 1.00 0.00 WT3 O ATOM 44714 H1 TIP3 7098 79.979 11.713 59.514 1.00 0.00 WT3 H ATOM 44715 H2 TIP3 7098 78.853 10.710 59.653 1.00 0.00 WT3 H ATOM 44716 OH2 TIP3 7099 86.984 76.415 31.635 1.00 0.00 WT3 O ATOM 44717 H1 TIP3 7099 87.385 77.176 31.215 1.00 0.00 WT3 H ATOM 44718 H2 TIP3 7099 86.310 76.128 31.019 1.00 0.00 WT3 H ATOM 44719 OH2 TIP3 7101 70.879 65.428 41.286 1.00 0.00 WT3 O ATOM 44720 H1 TIP3 7101 70.997 66.071 40.587 1.00 0.00 WT3 H ATOM 44721 H2 TIP3 7101 70.544 64.649 40.842 1.00 0.00 WT3 H ATOM 44722 OH2 TIP3 7102 24.179 9.420 -19.789 1.00 0.00 WT3 O ATOM 44723 H1 TIP3 7102 25.127 9.442 -19.663 1.00 0.00 WT3 H ATOM 44724 H2 TIP3 7102 23.935 8.511 -19.615 1.00 0.00 WT3 H ATOM 44725 OH2 TIP3 7103 61.411 74.239 -6.593 1.00 0.00 WT3 O ATOM 44726 H1 TIP3 7103 62.131 74.822 -6.353 1.00 0.00 WT3 H ATOM 44727 H2 TIP3 7103 61.827 73.388 -6.732 1.00 0.00 WT3 H ATOM 44728 OH2 TIP3 7104 81.859 1.834 53.587 1.00 0.00 WT3 O ATOM 44729 H1 TIP3 7104 82.186 2.256 54.382 1.00 0.00 WT3 H ATOM 44730 H2 TIP3 7104 80.908 1.828 53.694 1.00 0.00 WT3 H ATOM 44731 OH2 TIP3 7106 39.475 84.286 16.428 1.00 0.00 WT3 O ATOM 44732 H1 TIP3 7106 38.717 83.841 16.807 1.00 0.00 WT3 H ATOM 44733 H2 TIP3 7106 39.753 84.904 17.104 1.00 0.00 WT3 H ATOM 44734 OH2 TIP3 7111 30.071 90.079 -4.509 1.00 0.00 WT3 O ATOM 44735 H1 TIP3 7111 30.743 90.758 -4.459 1.00 0.00 WT3 H ATOM 44736 H2 TIP3 7111 29.991 89.888 -5.443 1.00 0.00 WT3 H ATOM 44737 OH2 TIP3 7113 69.022 80.255 36.102 1.00 0.00 WT3 O ATOM 44738 H1 TIP3 7113 69.238 80.114 35.181 1.00 0.00 WT3 H ATOM 44739 H2 TIP3 7113 68.801 81.184 36.158 1.00 0.00 WT3 H ATOM 44740 OH2 TIP3 7114 67.527 15.541 -13.885 1.00 0.00 WT3 O ATOM 44741 H1 TIP3 7114 68.238 16.180 -13.817 1.00 0.00 WT3 H ATOM 44742 H2 TIP3 7114 66.950 15.745 -13.149 1.00 0.00 WT3 H ATOM 44743 OH2 TIP3 7115 34.609 87.552 19.169 1.00 0.00 WT3 O ATOM 44744 H1 TIP3 7115 34.377 87.721 20.082 1.00 0.00 WT3 H ATOM 44745 H2 TIP3 7115 35.120 88.317 18.905 1.00 0.00 WT3 H ATOM 44746 OH2 TIP3 7117 71.455 81.802 6.904 1.00 0.00 WT3 O ATOM 44747 H1 TIP3 7117 70.791 81.250 6.491 1.00 0.00 WT3 H ATOM 44748 H2 TIP3 7117 71.206 82.695 6.668 1.00 0.00 WT3 H ATOM 44749 OH2 TIP3 7118 67.608 71.847 56.546 1.00 0.00 WT3 O ATOM 44750 H1 TIP3 7118 67.492 71.275 55.788 1.00 0.00 WT3 H ATOM 44751 H2 TIP3 7118 67.577 72.733 56.186 1.00 0.00 WT3 H ATOM 44752 OH2 TIP3 7119 67.171 64.503 -6.912 1.00 0.00 WT3 O ATOM 44753 H1 TIP3 7119 67.113 64.560 -5.959 1.00 0.00 WT3 H ATOM 44754 H2 TIP3 7119 66.266 64.587 -7.213 1.00 0.00 WT3 H ATOM 44755 OH2 TIP3 7120 83.551 23.381 8.896 1.00 0.00 WT3 O ATOM 44756 H1 TIP3 7120 83.717 24.285 8.628 1.00 0.00 WT3 H ATOM 44757 H2 TIP3 7120 84.407 22.955 8.848 1.00 0.00 WT3 H ATOM 44758 OH2 TIP3 7121 29.544 66.577 -17.170 1.00 0.00 WT3 O ATOM 44759 H1 TIP3 7121 28.763 66.093 -17.439 1.00 0.00 WT3 H ATOM 44760 H2 TIP3 7121 29.724 66.269 -16.282 1.00 0.00 WT3 H ATOM 44761 OH2 TIP3 7122 28.712 56.751 5.457 1.00 0.00 WT3 O ATOM 44762 H1 TIP3 7122 29.567 56.343 5.595 1.00 0.00 WT3 H ATOM 44763 H2 TIP3 7122 28.565 57.272 6.247 1.00 0.00 WT3 H ATOM 44764 OH2 TIP3 7123 24.260 82.501 22.977 1.00 0.00 WT3 O ATOM 44765 H1 TIP3 7123 23.380 82.125 22.994 1.00 0.00 WT3 H ATOM 44766 H2 TIP3 7123 24.122 83.427 22.775 1.00 0.00 WT3 H ATOM 44767 OH2 TIP3 7126 49.022 65.259 -11.349 1.00 0.00 WT3 O ATOM 44768 H1 TIP3 7126 48.609 65.154 -10.492 1.00 0.00 WT3 H ATOM 44769 H2 TIP3 7126 49.673 65.948 -11.219 1.00 0.00 WT3 H ATOM 44770 OH2 TIP3 7127 73.432 77.221 41.670 1.00 0.00 WT3 O ATOM 44771 H1 TIP3 7127 73.196 77.260 40.743 1.00 0.00 WT3 H ATOM 44772 H2 TIP3 7127 72.876 77.880 42.086 1.00 0.00 WT3 H ATOM 44773 OH2 TIP3 7128 32.533 33.718 52.519 1.00 0.00 WT3 O ATOM 44774 H1 TIP3 7128 33.241 33.083 52.631 1.00 0.00 WT3 H ATOM 44775 H2 TIP3 7128 32.554 33.938 51.587 1.00 0.00 WT3 H ATOM 44776 OH2 TIP3 7129 61.801 83.993 37.886 1.00 0.00 WT3 O ATOM 44777 H1 TIP3 7129 61.158 84.190 37.205 1.00 0.00 WT3 H ATOM 44778 H2 TIP3 7129 62.527 83.579 37.418 1.00 0.00 WT3 H ATOM 44779 OH2 TIP3 7131 59.936 21.664 48.667 1.00 0.00 WT3 O ATOM 44780 H1 TIP3 7131 59.741 22.110 47.843 1.00 0.00 WT3 H ATOM 44781 H2 TIP3 7131 59.319 22.038 49.296 1.00 0.00 WT3 H ATOM 44782 OH2 TIP3 7133 43.627 75.321 -4.238 1.00 0.00 WT3 O ATOM 44783 H1 TIP3 7133 44.552 75.105 -4.354 1.00 0.00 WT3 H ATOM 44784 H2 TIP3 7133 43.376 74.876 -3.428 1.00 0.00 WT3 H ATOM 44785 OH2 TIP3 7134 26.731 69.644 1.860 1.00 0.00 WT3 O ATOM 44786 H1 TIP3 7134 26.044 70.309 1.820 1.00 0.00 WT3 H ATOM 44787 H2 TIP3 7134 26.261 68.811 1.821 1.00 0.00 WT3 H ATOM 44788 OH2 TIP3 7135 90.836 52.204 38.583 1.00 0.00 WT3 O ATOM 44789 H1 TIP3 7135 90.774 51.887 39.484 1.00 0.00 WT3 H ATOM 44790 H2 TIP3 7135 89.989 51.989 38.193 1.00 0.00 WT3 H ATOM 44791 OH2 TIP3 7136 62.938 82.818 50.823 1.00 0.00 WT3 O ATOM 44792 H1 TIP3 7136 63.112 83.426 51.542 1.00 0.00 WT3 H ATOM 44793 H2 TIP3 7136 62.059 82.484 50.998 1.00 0.00 WT3 H ATOM 44794 OH2 TIP3 7137 42.480 24.992 43.119 1.00 0.00 WT3 O ATOM 44795 H1 TIP3 7137 42.315 25.436 42.288 1.00 0.00 WT3 H ATOM 44796 H2 TIP3 7137 43.061 25.584 43.596 1.00 0.00 WT3 H ATOM 44797 OH2 TIP3 7139 26.413 54.908 7.123 1.00 0.00 WT3 O ATOM 44798 H1 TIP3 7139 26.415 55.751 7.578 1.00 0.00 WT3 H ATOM 44799 H2 TIP3 7139 25.568 54.881 6.673 1.00 0.00 WT3 H ATOM 44800 OH2 TIP3 7140 88.258 62.007 11.926 1.00 0.00 WT3 O ATOM 44801 H1 TIP3 7140 88.813 61.501 11.333 1.00 0.00 WT3 H ATOM 44802 H2 TIP3 7140 87.642 62.460 11.350 1.00 0.00 WT3 H ATOM 44803 OH2 TIP3 7141 59.719 92.877 -6.739 1.00 0.00 WT3 O ATOM 44804 H1 TIP3 7141 60.580 92.464 -6.807 1.00 0.00 WT3 H ATOM 44805 H2 TIP3 7141 59.631 93.095 -5.811 1.00 0.00 WT3 H ATOM 44806 OH2 TIP3 7142 71.293 33.476 25.155 1.00 0.00 WT3 O ATOM 44807 H1 TIP3 7142 71.655 34.322 25.419 1.00 0.00 WT3 H ATOM 44808 H2 TIP3 7142 71.473 33.421 24.216 1.00 0.00 WT3 H ATOM 44809 OH2 TIP3 7143 25.873 46.063 53.405 1.00 0.00 WT3 O ATOM 44810 H1 TIP3 7143 26.728 46.148 53.827 1.00 0.00 WT3 H ATOM 44811 H2 TIP3 7143 25.436 46.897 53.575 1.00 0.00 WT3 H ATOM 44812 OH2 TIP3 7144 44.640 11.335 29.270 1.00 0.00 WT3 O ATOM 44813 H1 TIP3 7144 44.278 11.951 28.633 1.00 0.00 WT3 H ATOM 44814 H2 TIP3 7144 45.312 11.836 29.732 1.00 0.00 WT3 H ATOM 44815 OH2 TIP3 7145 51.546 93.205 -15.203 1.00 0.00 WT3 O ATOM 44816 H1 TIP3 7145 51.169 93.470 -16.041 1.00 0.00 WT3 H ATOM 44817 H2 TIP3 7145 52.229 92.575 -15.435 1.00 0.00 WT3 H ATOM 44818 OH2 TIP3 7146 33.013 32.136 36.770 1.00 0.00 WT3 O ATOM 44819 H1 TIP3 7146 32.916 31.198 36.937 1.00 0.00 WT3 H ATOM 44820 H2 TIP3 7146 33.166 32.518 37.634 1.00 0.00 WT3 H ATOM 44821 OH2 TIP3 7147 74.226 82.644 8.509 1.00 0.00 WT3 O ATOM 44822 H1 TIP3 7147 74.008 81.940 7.898 1.00 0.00 WT3 H ATOM 44823 H2 TIP3 7147 74.395 83.402 7.950 1.00 0.00 WT3 H ATOM 44824 OH2 TIP3 7148 50.694 23.973 18.210 1.00 0.00 WT3 O ATOM 44825 H1 TIP3 7148 50.701 24.930 18.177 1.00 0.00 WT3 H ATOM 44826 H2 TIP3 7148 50.469 23.704 17.320 1.00 0.00 WT3 H ATOM 44827 OH2 TIP3 7150 67.311 12.818 57.862 1.00 0.00 WT3 O ATOM 44828 H1 TIP3 7150 67.979 13.403 57.506 1.00 0.00 WT3 H ATOM 44829 H2 TIP3 7150 67.799 12.197 58.403 1.00 0.00 WT3 H ATOM 44830 OH2 TIP3 7152 33.202 89.045 25.964 1.00 0.00 WT3 O ATOM 44831 H1 TIP3 7152 32.935 88.763 25.089 1.00 0.00 WT3 H ATOM 44832 H2 TIP3 7152 33.906 88.443 26.205 1.00 0.00 WT3 H ATOM 44833 OH2 TIP3 7153 32.879 54.361 19.163 1.00 0.00 WT3 O ATOM 44834 H1 TIP3 7153 33.751 54.023 19.366 1.00 0.00 WT3 H ATOM 44835 H2 TIP3 7153 32.810 54.289 18.210 1.00 0.00 WT3 H ATOM 44836 OH2 TIP3 7154 60.504 77.714 19.087 1.00 0.00 WT3 O ATOM 44837 H1 TIP3 7154 60.459 77.943 18.159 1.00 0.00 WT3 H ATOM 44838 H2 TIP3 7154 61.186 77.045 19.136 1.00 0.00 WT3 H ATOM 44839 OH2 TIP3 7155 78.812 56.039 57.895 1.00 0.00 WT3 O ATOM 44840 H1 TIP3 7155 78.370 56.490 57.176 1.00 0.00 WT3 H ATOM 44841 H2 TIP3 7155 79.128 56.743 58.461 1.00 0.00 WT3 H ATOM 44842 OH2 TIP3 7156 90.406 92.998 16.958 1.00 0.00 WT3 O ATOM 44843 H1 TIP3 7156 91.305 93.023 17.285 1.00 0.00 WT3 H ATOM 44844 H2 TIP3 7156 89.863 93.022 17.746 1.00 0.00 WT3 H ATOM 44845 OH2 TIP3 7157 32.549 68.059 19.787 1.00 0.00 WT3 O ATOM 44846 H1 TIP3 7157 33.342 68.199 19.269 1.00 0.00 WT3 H ATOM 44847 H2 TIP3 7157 32.814 67.441 20.468 1.00 0.00 WT3 H ATOM 44848 OH2 TIP3 7158 65.981 62.435 51.181 1.00 0.00 WT3 O ATOM 44849 H1 TIP3 7158 65.407 61.672 51.110 1.00 0.00 WT3 H ATOM 44850 H2 TIP3 7158 66.367 62.526 50.310 1.00 0.00 WT3 H ATOM 44851 OH2 TIP3 7159 44.246 1.592 17.679 1.00 0.00 WT3 O ATOM 44852 H1 TIP3 7159 44.327 2.527 17.488 1.00 0.00 WT3 H ATOM 44853 H2 TIP3 7159 43.946 1.205 16.857 1.00 0.00 WT3 H ATOM 44854 OH2 TIP3 7160 42.058 37.238 -14.785 1.00 0.00 WT3 O ATOM 44855 H1 TIP3 7160 42.204 37.448 -13.862 1.00 0.00 WT3 H ATOM 44856 H2 TIP3 7160 42.937 37.134 -15.149 1.00 0.00 WT3 H ATOM 44857 OH2 TIP3 7161 74.378 94.940 -5.132 1.00 0.00 WT3 O ATOM 44858 H1 TIP3 7161 74.268 95.744 -5.639 1.00 0.00 WT3 H ATOM 44859 H2 TIP3 7161 73.623 94.401 -5.369 1.00 0.00 WT3 H ATOM 44860 OH2 TIP3 7162 75.607 67.488 62.571 1.00 0.00 WT3 O ATOM 44861 H1 TIP3 7162 75.293 66.809 61.973 1.00 0.00 WT3 H ATOM 44862 H2 TIP3 7162 74.862 67.664 63.145 1.00 0.00 WT3 H ATOM 44863 OH2 TIP3 7163 74.979 60.724 28.363 1.00 0.00 WT3 O ATOM 44864 H1 TIP3 7163 75.867 61.072 28.446 1.00 0.00 WT3 H ATOM 44865 H2 TIP3 7163 75.005 60.188 27.570 1.00 0.00 WT3 H ATOM 44866 OH2 TIP3 7164 34.931 92.860 21.500 1.00 0.00 WT3 O ATOM 44867 H1 TIP3 7164 35.189 92.408 22.303 1.00 0.00 WT3 H ATOM 44868 H2 TIP3 7164 34.194 92.350 21.164 1.00 0.00 WT3 H ATOM 44869 OH2 TIP3 7165 72.403 20.338 56.474 1.00 0.00 WT3 O ATOM 44870 H1 TIP3 7165 71.479 20.389 56.722 1.00 0.00 WT3 H ATOM 44871 H2 TIP3 7165 72.879 20.463 57.296 1.00 0.00 WT3 H ATOM 44872 OH2 TIP3 7166 52.547 33.088 59.099 1.00 0.00 WT3 O ATOM 44873 H1 TIP3 7166 52.377 33.347 60.004 1.00 0.00 WT3 H ATOM 44874 H2 TIP3 7166 51.822 33.465 58.601 1.00 0.00 WT3 H ATOM 44875 OH2 TIP3 7167 89.732 76.929 46.535 1.00 0.00 WT3 O ATOM 44876 H1 TIP3 7167 89.505 77.322 47.378 1.00 0.00 WT3 H ATOM 44877 H2 TIP3 7167 89.310 76.070 46.549 1.00 0.00 WT3 H ATOM 44878 OH2 TIP3 7168 73.305 50.656 -13.186 1.00 0.00 WT3 O ATOM 44879 H1 TIP3 7168 72.492 51.155 -13.099 1.00 0.00 WT3 H ATOM 44880 H2 TIP3 7168 73.558 50.451 -12.286 1.00 0.00 WT3 H ATOM 44881 OH2 TIP3 7169 65.190 13.295 -5.338 1.00 0.00 WT3 O ATOM 44882 H1 TIP3 7169 65.105 14.155 -5.750 1.00 0.00 WT3 H ATOM 44883 H2 TIP3 7169 65.553 12.735 -6.025 1.00 0.00 WT3 H ATOM 44884 OH2 TIP3 7170 87.493 15.970 -8.909 1.00 0.00 WT3 O ATOM 44885 H1 TIP3 7170 87.424 15.068 -9.221 1.00 0.00 WT3 H ATOM 44886 H2 TIP3 7170 87.621 15.888 -7.964 1.00 0.00 WT3 H ATOM 44887 OH2 TIP3 7172 31.909 78.065 4.391 1.00 0.00 WT3 O ATOM 44888 H1 TIP3 7172 31.878 77.136 4.163 1.00 0.00 WT3 H ATOM 44889 H2 TIP3 7172 32.837 78.242 4.549 1.00 0.00 WT3 H ATOM 44890 OH2 TIP3 7173 77.230 71.025 4.396 1.00 0.00 WT3 O ATOM 44891 H1 TIP3 7173 76.323 71.301 4.528 1.00 0.00 WT3 H ATOM 44892 H2 TIP3 7173 77.194 70.434 3.644 1.00 0.00 WT3 H ATOM 44893 OH2 TIP3 7175 47.436 14.400 62.709 1.00 0.00 WT3 O ATOM 44894 H1 TIP3 7175 47.763 13.524 62.915 1.00 0.00 WT3 H ATOM 44895 H2 TIP3 7175 47.282 14.382 61.765 1.00 0.00 WT3 H ATOM 44896 OH2 TIP3 7177 75.596 47.952 43.479 1.00 0.00 WT3 O ATOM 44897 H1 TIP3 7177 74.847 47.527 43.061 1.00 0.00 WT3 H ATOM 44898 H2 TIP3 7177 75.227 48.730 43.898 1.00 0.00 WT3 H ATOM 44899 OH2 TIP3 7178 23.016 16.842 8.725 1.00 0.00 WT3 O ATOM 44900 H1 TIP3 7178 22.126 17.160 8.572 1.00 0.00 WT3 H ATOM 44901 H2 TIP3 7178 23.153 16.177 8.050 1.00 0.00 WT3 H ATOM 44902 OH2 TIP3 7180 40.812 80.188 45.435 1.00 0.00 WT3 O ATOM 44903 H1 TIP3 7180 40.018 80.350 44.927 1.00 0.00 WT3 H ATOM 44904 H2 TIP3 7180 40.874 80.937 46.029 1.00 0.00 WT3 H ATOM 44905 OH2 TIP3 7181 69.203 41.185 63.097 1.00 0.00 WT3 O ATOM 44906 H1 TIP3 7181 70.069 40.882 63.371 1.00 0.00 WT3 H ATOM 44907 H2 TIP3 7181 69.376 41.769 62.359 1.00 0.00 WT3 H ATOM 44908 OH2 TIP3 7182 57.760 74.498 -1.857 1.00 0.00 WT3 O ATOM 44909 H1 TIP3 7182 58.012 74.713 -2.756 1.00 0.00 WT3 H ATOM 44910 H2 TIP3 7182 58.140 73.633 -1.702 1.00 0.00 WT3 H ATOM 44911 OH2 TIP3 7183 81.411 52.872 -17.987 1.00 0.00 WT3 O ATOM 44912 H1 TIP3 7183 81.057 52.761 -18.870 1.00 0.00 WT3 H ATOM 44913 H2 TIP3 7183 80.650 52.789 -17.412 1.00 0.00 WT3 H ATOM 44914 OH2 TIP3 7184 48.714 75.657 17.295 1.00 0.00 WT3 O ATOM 44915 H1 TIP3 7184 49.432 75.051 17.114 1.00 0.00 WT3 H ATOM 44916 H2 TIP3 7184 48.880 75.966 18.186 1.00 0.00 WT3 H ATOM 44917 OH2 TIP3 7186 71.907 91.373 51.687 1.00 0.00 WT3 O ATOM 44918 H1 TIP3 7186 71.092 91.016 51.334 1.00 0.00 WT3 H ATOM 44919 H2 TIP3 7186 72.535 90.654 51.616 1.00 0.00 WT3 H ATOM 44920 OH2 TIP3 7187 42.115 28.605 12.583 1.00 0.00 WT3 O ATOM 44921 H1 TIP3 7187 42.845 28.243 13.085 1.00 0.00 WT3 H ATOM 44922 H2 TIP3 7187 42.052 28.042 11.811 1.00 0.00 WT3 H ATOM 44923 OH2 TIP3 7189 25.249 88.214 -5.127 1.00 0.00 WT3 O ATOM 44924 H1 TIP3 7189 26.127 88.126 -5.500 1.00 0.00 WT3 H ATOM 44925 H2 TIP3 7189 25.395 88.585 -4.257 1.00 0.00 WT3 H ATOM 44926 OH2 TIP3 7190 29.592 20.723 -17.378 1.00 0.00 WT3 O ATOM 44927 H1 TIP3 7190 29.041 20.173 -16.821 1.00 0.00 WT3 H ATOM 44928 H2 TIP3 7190 29.057 21.496 -17.558 1.00 0.00 WT3 H ATOM 44929 OH2 TIP3 7191 23.698 7.718 5.643 1.00 0.00 WT3 O ATOM 44930 H1 TIP3 7191 23.845 8.423 5.012 1.00 0.00 WT3 H ATOM 44931 H2 TIP3 7191 22.751 7.581 5.634 1.00 0.00 WT3 H ATOM 44932 OH2 TIP3 7192 60.124 9.397 16.757 1.00 0.00 WT3 O ATOM 44933 H1 TIP3 7192 59.622 8.668 16.393 1.00 0.00 WT3 H ATOM 44934 H2 TIP3 7192 61.039 9.144 16.632 1.00 0.00 WT3 H ATOM 44935 OH2 TIP3 7193 24.920 46.637 12.833 1.00 0.00 WT3 O ATOM 44936 H1 TIP3 7193 24.491 45.826 13.106 1.00 0.00 WT3 H ATOM 44937 H2 TIP3 7193 25.519 46.845 13.550 1.00 0.00 WT3 H ATOM 44938 OH2 TIP3 7194 28.980 24.531 10.699 1.00 0.00 WT3 O ATOM 44939 H1 TIP3 7194 28.558 23.672 10.714 1.00 0.00 WT3 H ATOM 44940 H2 TIP3 7194 29.915 24.340 10.761 1.00 0.00 WT3 H ATOM 44941 OH2 TIP3 7195 30.624 72.678 11.937 1.00 0.00 WT3 O ATOM 44942 H1 TIP3 7195 29.803 72.779 12.420 1.00 0.00 WT3 H ATOM 44943 H2 TIP3 7195 31.115 73.476 12.128 1.00 0.00 WT3 H ATOM 44944 OH2 TIP3 7196 45.041 38.247 48.756 1.00 0.00 WT3 O ATOM 44945 H1 TIP3 7196 45.385 38.446 47.885 1.00 0.00 WT3 H ATOM 44946 H2 TIP3 7196 45.225 39.032 49.272 1.00 0.00 WT3 H ATOM 44947 OH2 TIP3 7197 52.691 81.547 35.264 1.00 0.00 WT3 O ATOM 44948 H1 TIP3 7197 53.277 80.823 35.042 1.00 0.00 WT3 H ATOM 44949 H2 TIP3 7197 51.831 81.263 34.954 1.00 0.00 WT3 H ATOM 44950 OH2 TIP3 7198 46.383 26.851 -15.395 1.00 0.00 WT3 O ATOM 44951 H1 TIP3 7198 45.717 27.244 -14.831 1.00 0.00 WT3 H ATOM 44952 H2 TIP3 7198 46.508 25.971 -15.041 1.00 0.00 WT3 H ATOM 44953 OH2 TIP3 7199 65.426 91.113 41.281 1.00 0.00 WT3 O ATOM 44954 H1 TIP3 7199 65.513 90.164 41.199 1.00 0.00 WT3 H ATOM 44955 H2 TIP3 7199 65.257 91.417 40.389 1.00 0.00 WT3 H ATOM 44956 OH2 TIP3 7200 26.547 21.178 2.145 1.00 0.00 WT3 O ATOM 44957 H1 TIP3 7200 26.802 21.189 3.068 1.00 0.00 WT3 H ATOM 44958 H2 TIP3 7200 27.061 21.880 1.745 1.00 0.00 WT3 H ATOM 44959 OH2 TIP3 7201 47.840 72.995 41.779 1.00 0.00 WT3 O ATOM 44960 H1 TIP3 7201 48.362 73.754 41.519 1.00 0.00 WT3 H ATOM 44961 H2 TIP3 7201 47.274 72.822 41.026 1.00 0.00 WT3 H ATOM 44962 OH2 TIP3 7202 50.351 34.193 6.739 1.00 0.00 WT3 O ATOM 44963 H1 TIP3 7202 50.239 33.765 7.588 1.00 0.00 WT3 H ATOM 44964 H2 TIP3 7202 50.363 35.129 6.942 1.00 0.00 WT3 H ATOM 44965 OH2 TIP3 7203 89.408 70.744 -19.729 1.00 0.00 WT3 O ATOM 44966 H1 TIP3 7203 90.315 70.464 -19.854 1.00 0.00 WT3 H ATOM 44967 H2 TIP3 7203 89.116 70.271 -18.950 1.00 0.00 WT3 H ATOM 44968 OH2 TIP3 7204 89.806 64.918 3.418 1.00 0.00 WT3 O ATOM 44969 H1 TIP3 7204 90.460 65.092 4.095 1.00 0.00 WT3 H ATOM 44970 H2 TIP3 7204 89.175 64.334 3.837 1.00 0.00 WT3 H ATOM 44971 OH2 TIP3 7205 86.011 89.958 42.775 1.00 0.00 WT3 O ATOM 44972 H1 TIP3 7205 86.507 89.692 43.550 1.00 0.00 WT3 H ATOM 44973 H2 TIP3 7205 85.341 89.281 42.676 1.00 0.00 WT3 H ATOM 44974 OH2 TIP3 7206 31.129 61.048 60.170 1.00 0.00 WT3 O ATOM 44975 H1 TIP3 7206 31.923 61.320 59.709 1.00 0.00 WT3 H ATOM 44976 H2 TIP3 7206 31.322 60.163 60.477 1.00 0.00 WT3 H ATOM 44977 OH2 TIP3 7208 60.967 78.269 -7.715 1.00 0.00 WT3 O ATOM 44978 H1 TIP3 7208 60.517 77.548 -7.274 1.00 0.00 WT3 H ATOM 44979 H2 TIP3 7208 61.133 78.909 -7.023 1.00 0.00 WT3 H ATOM 44980 OH2 TIP3 7209 45.996 14.128 50.974 1.00 0.00 WT3 O ATOM 44981 H1 TIP3 7209 45.431 13.556 50.453 1.00 0.00 WT3 H ATOM 44982 H2 TIP3 7209 45.406 14.798 51.319 1.00 0.00 WT3 H ATOM 44983 OH2 TIP3 7210 53.130 86.749 27.654 1.00 0.00 WT3 O ATOM 44984 H1 TIP3 7210 52.845 86.088 28.286 1.00 0.00 WT3 H ATOM 44985 H2 TIP3 7210 53.363 87.508 28.189 1.00 0.00 WT3 H ATOM 44986 OH2 TIP3 7211 41.716 57.141 59.132 1.00 0.00 WT3 O ATOM 44987 H1 TIP3 7211 42.157 56.815 59.917 1.00 0.00 WT3 H ATOM 44988 H2 TIP3 7211 40.925 56.606 59.062 1.00 0.00 WT3 H ATOM 44989 OH2 TIP3 7213 28.132 64.971 3.956 1.00 0.00 WT3 O ATOM 44990 H1 TIP3 7213 28.604 64.207 4.288 1.00 0.00 WT3 H ATOM 44991 H2 TIP3 7213 28.800 65.654 3.887 1.00 0.00 WT3 H ATOM 44992 OH2 TIP3 7215 74.199 92.718 20.542 1.00 0.00 WT3 O ATOM 44993 H1 TIP3 7215 73.763 91.912 20.262 1.00 0.00 WT3 H ATOM 44994 H2 TIP3 7215 73.483 93.328 20.720 1.00 0.00 WT3 H ATOM 44995 OH2 TIP3 7216 61.422 84.802 22.687 1.00 0.00 WT3 O ATOM 44996 H1 TIP3 7216 60.672 84.471 23.180 1.00 0.00 WT3 H ATOM 44997 H2 TIP3 7216 62.177 84.353 23.068 1.00 0.00 WT3 H ATOM 44998 OH2 TIP3 7217 54.847 73.564 -3.915 1.00 0.00 WT3 O ATOM 44999 H1 TIP3 7217 55.162 73.493 -3.014 1.00 0.00 WT3 H ATOM 45000 H2 TIP3 7217 53.938 73.269 -3.876 1.00 0.00 WT3 H ATOM 45001 OH2 TIP3 7219 33.392 70.182 5.886 1.00 0.00 WT3 O ATOM 45002 H1 TIP3 7219 33.054 70.785 6.548 1.00 0.00 WT3 H ATOM 45003 H2 TIP3 7219 33.036 69.329 6.135 1.00 0.00 WT3 H ATOM 45004 OH2 TIP3 7222 83.369 4.555 -1.077 1.00 0.00 WT3 O ATOM 45005 H1 TIP3 7222 82.716 5.248 -0.981 1.00 0.00 WT3 H ATOM 45006 H2 TIP3 7222 83.916 4.631 -0.295 1.00 0.00 WT3 H ATOM 45007 OH2 TIP3 7223 78.793 47.446 7.957 1.00 0.00 WT3 O ATOM 45008 H1 TIP3 7223 79.323 46.980 8.604 1.00 0.00 WT3 H ATOM 45009 H2 TIP3 7223 78.674 48.320 8.329 1.00 0.00 WT3 H ATOM 45010 OH2 TIP3 7224 47.033 5.907 29.202 1.00 0.00 WT3 O ATOM 45011 H1 TIP3 7224 47.028 6.151 28.276 1.00 0.00 WT3 H ATOM 45012 H2 TIP3 7224 46.950 4.953 29.198 1.00 0.00 WT3 H ATOM 45013 OH2 TIP3 7227 86.684 60.527 23.925 1.00 0.00 WT3 O ATOM 45014 H1 TIP3 7227 87.236 59.776 24.146 1.00 0.00 WT3 H ATOM 45015 H2 TIP3 7227 85.817 60.293 24.257 1.00 0.00 WT3 H ATOM 45016 OH2 TIP3 7228 74.823 43.433 -1.438 1.00 0.00 WT3 O ATOM 45017 H1 TIP3 7228 75.316 44.049 -0.896 1.00 0.00 WT3 H ATOM 45018 H2 TIP3 7228 74.290 42.938 -0.816 1.00 0.00 WT3 H ATOM 45019 OH2 TIP3 7229 40.675 85.663 -7.928 1.00 0.00 WT3 O ATOM 45020 H1 TIP3 7229 41.134 85.459 -7.113 1.00 0.00 WT3 H ATOM 45021 H2 TIP3 7229 40.679 84.840 -8.417 1.00 0.00 WT3 H ATOM 45022 OH2 TIP3 7230 40.771 17.013 49.281 1.00 0.00 WT3 O ATOM 45023 H1 TIP3 7230 41.459 16.367 49.121 1.00 0.00 WT3 H ATOM 45024 H2 TIP3 7230 40.529 17.326 48.409 1.00 0.00 WT3 H ATOM 45025 OH2 TIP3 7231 70.604 0.642 25.340 1.00 0.00 WT3 O ATOM 45026 H1 TIP3 7231 69.743 0.249 25.200 1.00 0.00 WT3 H ATOM 45027 H2 TIP3 7231 70.851 0.990 24.483 1.00 0.00 WT3 H ATOM 45028 OH2 TIP3 7232 41.729 63.402 1.147 1.00 0.00 WT3 O ATOM 45029 H1 TIP3 7232 42.052 62.698 1.709 1.00 0.00 WT3 H ATOM 45030 H2 TIP3 7232 40.804 63.195 1.012 1.00 0.00 WT3 H ATOM 45031 OH2 TIP3 7234 24.315 37.748 32.741 1.00 0.00 WT3 O ATOM 45032 H1 TIP3 7234 24.993 38.108 32.169 1.00 0.00 WT3 H ATOM 45033 H2 TIP3 7234 24.781 37.137 33.311 1.00 0.00 WT3 H ATOM 45034 OH2 TIP3 7235 90.990 77.280 -3.155 1.00 0.00 WT3 O ATOM 45035 H1 TIP3 7235 90.354 76.800 -2.625 1.00 0.00 WT3 H ATOM 45036 H2 TIP3 7235 90.472 77.663 -3.863 1.00 0.00 WT3 H ATOM 45037 OH2 TIP3 7238 54.763 29.776 21.821 1.00 0.00 WT3 O ATOM 45038 H1 TIP3 7238 53.965 30.125 21.424 1.00 0.00 WT3 H ATOM 45039 H2 TIP3 7238 54.769 30.140 22.706 1.00 0.00 WT3 H ATOM 45040 OH2 TIP3 7239 67.753 59.777 20.722 1.00 0.00 WT3 O ATOM 45041 H1 TIP3 7239 68.429 59.991 21.364 1.00 0.00 WT3 H ATOM 45042 H2 TIP3 7239 67.197 59.135 21.163 1.00 0.00 WT3 H ATOM 45043 OH2 TIP3 7240 41.474 59.662 10.381 1.00 0.00 WT3 O ATOM 45044 H1 TIP3 7240 41.137 60.246 11.061 1.00 0.00 WT3 H ATOM 45045 H2 TIP3 7240 42.391 59.918 10.277 1.00 0.00 WT3 H ATOM 45046 OH2 TIP3 7241 77.381 4.517 -18.281 1.00 0.00 WT3 O ATOM 45047 H1 TIP3 7241 77.053 4.928 -19.081 1.00 0.00 WT3 H ATOM 45048 H2 TIP3 7241 76.593 4.287 -17.789 1.00 0.00 WT3 H ATOM 45049 OH2 TIP3 7243 28.335 10.218 56.345 1.00 0.00 WT3 O ATOM 45050 H1 TIP3 7243 29.142 10.033 56.824 1.00 0.00 WT3 H ATOM 45051 H2 TIP3 7243 28.510 11.043 55.891 1.00 0.00 WT3 H ATOM 45052 OH2 TIP3 7244 89.249 95.169 23.103 1.00 0.00 WT3 O ATOM 45053 H1 TIP3 7244 88.350 94.838 23.108 1.00 0.00 WT3 H ATOM 45054 H2 TIP3 7244 89.533 95.106 24.015 1.00 0.00 WT3 H ATOM 45055 OH2 TIP3 7245 35.271 93.013 -18.836 1.00 0.00 WT3 O ATOM 45056 H1 TIP3 7245 35.094 93.919 -19.088 1.00 0.00 WT3 H ATOM 45057 H2 TIP3 7245 35.373 92.549 -19.667 1.00 0.00 WT3 H ATOM 45058 OH2 TIP3 7247 39.624 80.561 16.728 1.00 0.00 WT3 O ATOM 45059 H1 TIP3 7247 39.884 79.677 16.989 1.00 0.00 WT3 H ATOM 45060 H2 TIP3 7247 39.695 81.079 17.529 1.00 0.00 WT3 H ATOM 45061 OH2 TIP3 7248 36.787 74.076 50.888 1.00 0.00 WT3 O ATOM 45062 H1 TIP3 7248 37.041 73.155 50.943 1.00 0.00 WT3 H ATOM 45063 H2 TIP3 7248 36.168 74.197 51.608 1.00 0.00 WT3 H ATOM 45064 OH2 TIP3 7249 75.850 51.682 58.926 1.00 0.00 WT3 O ATOM 45065 H1 TIP3 7249 75.559 51.626 59.836 1.00 0.00 WT3 H ATOM 45066 H2 TIP3 7249 75.059 51.904 58.435 1.00 0.00 WT3 H ATOM 45067 OH2 TIP3 7250 68.192 77.732 -18.978 1.00 0.00 WT3 O ATOM 45068 H1 TIP3 7250 68.669 77.312 -18.262 1.00 0.00 WT3 H ATOM 45069 H2 TIP3 7250 68.766 78.443 -19.264 1.00 0.00 WT3 H ATOM 45070 OH2 TIP3 7252 89.548 19.139 42.675 1.00 0.00 WT3 O ATOM 45071 H1 TIP3 7252 89.442 19.848 42.041 1.00 0.00 WT3 H ATOM 45072 H2 TIP3 7252 88.655 18.916 42.938 1.00 0.00 WT3 H ATOM 45073 OH2 TIP3 7253 64.552 92.576 48.066 1.00 0.00 WT3 O ATOM 45074 H1 TIP3 7253 64.354 93.118 48.829 1.00 0.00 WT3 H ATOM 45075 H2 TIP3 7253 65.433 92.241 48.232 1.00 0.00 WT3 H ATOM 45076 OH2 TIP3 7254 87.880 32.786 26.643 1.00 0.00 WT3 O ATOM 45077 H1 TIP3 7254 87.275 33.027 27.344 1.00 0.00 WT3 H ATOM 45078 H2 TIP3 7254 88.535 33.484 26.640 1.00 0.00 WT3 H ATOM 45079 OH2 TIP3 7256 47.928 0.312 1.439 1.00 0.00 WT3 O ATOM 45080 H1 TIP3 7256 48.345 0.590 0.623 1.00 0.00 WT3 H ATOM 45081 H2 TIP3 7256 47.331 1.027 1.659 1.00 0.00 WT3 H ATOM 45082 OH2 TIP3 7257 65.089 63.108 40.767 1.00 0.00 WT3 O ATOM 45083 H1 TIP3 7257 65.479 63.753 40.177 1.00 0.00 WT3 H ATOM 45084 H2 TIP3 7257 64.227 62.930 40.391 1.00 0.00 WT3 H ATOM 45085 OH2 TIP3 7258 61.933 78.667 56.592 1.00 0.00 WT3 O ATOM 45086 H1 TIP3 7258 61.995 77.814 57.021 1.00 0.00 WT3 H ATOM 45087 H2 TIP3 7258 60.995 78.857 56.571 1.00 0.00 WT3 H ATOM 45088 OH2 TIP3 7259 78.816 62.440 38.004 1.00 0.00 WT3 O ATOM 45089 H1 TIP3 7259 78.880 63.123 38.672 1.00 0.00 WT3 H ATOM 45090 H2 TIP3 7259 77.894 62.443 37.746 1.00 0.00 WT3 H ATOM 45091 OH2 TIP3 7260 63.437 51.738 21.944 1.00 0.00 WT3 O ATOM 45092 H1 TIP3 7260 62.834 52.309 22.421 1.00 0.00 WT3 H ATOM 45093 H2 TIP3 7260 62.868 51.139 21.460 1.00 0.00 WT3 H ATOM 45094 OH2 TIP3 7262 24.684 85.252 -9.416 1.00 0.00 WT3 O ATOM 45095 H1 TIP3 7262 24.715 84.308 -9.570 1.00 0.00 WT3 H ATOM 45096 H2 TIP3 7262 24.096 85.587 -10.093 1.00 0.00 WT3 H ATOM 45097 OH2 TIP3 7264 34.590 3.258 -5.006 1.00 0.00 WT3 O ATOM 45098 H1 TIP3 7264 33.684 3.032 -5.219 1.00 0.00 WT3 H ATOM 45099 H2 TIP3 7264 34.867 3.836 -5.717 1.00 0.00 WT3 H ATOM 45100 OH2 TIP3 7266 43.725 12.046 53.225 1.00 0.00 WT3 O ATOM 45101 H1 TIP3 7266 43.885 12.573 54.008 1.00 0.00 WT3 H ATOM 45102 H2 TIP3 7266 43.570 12.687 52.531 1.00 0.00 WT3 H ATOM 45103 OH2 TIP3 7267 65.476 90.406 1.816 1.00 0.00 WT3 O ATOM 45104 H1 TIP3 7267 65.987 90.252 1.022 1.00 0.00 WT3 H ATOM 45105 H2 TIP3 7267 65.022 89.578 1.974 1.00 0.00 WT3 H ATOM 45106 OH2 TIP3 7270 79.251 92.410 13.424 1.00 0.00 WT3 O ATOM 45107 H1 TIP3 7270 79.941 91.819 13.725 1.00 0.00 WT3 H ATOM 45108 H2 TIP3 7270 78.578 92.359 14.102 1.00 0.00 WT3 H ATOM 45109 OH2 TIP3 7275 55.894 75.522 40.604 1.00 0.00 WT3 O ATOM 45110 H1 TIP3 7275 56.364 74.694 40.510 1.00 0.00 WT3 H ATOM 45111 H2 TIP3 7275 55.057 75.374 40.164 1.00 0.00 WT3 H ATOM 45112 OH2 TIP3 7280 68.922 60.163 47.264 1.00 0.00 WT3 O ATOM 45113 H1 TIP3 7280 68.342 60.288 46.513 1.00 0.00 WT3 H ATOM 45114 H2 TIP3 7280 69.559 59.512 46.969 1.00 0.00 WT3 H ATOM 45115 OH2 TIP3 7281 70.618 71.280 37.728 1.00 0.00 WT3 O ATOM 45116 H1 TIP3 7281 69.807 71.545 37.294 1.00 0.00 WT3 H ATOM 45117 H2 TIP3 7281 70.866 70.462 37.296 1.00 0.00 WT3 H ATOM 45118 OH2 TIP3 7282 74.168 12.817 -16.352 1.00 0.00 WT3 O ATOM 45119 H1 TIP3 7282 74.409 12.486 -15.486 1.00 0.00 WT3 H ATOM 45120 H2 TIP3 7282 73.565 13.539 -16.173 1.00 0.00 WT3 H ATOM 45121 OH2 TIP3 7283 25.329 10.865 51.860 1.00 0.00 WT3 O ATOM 45122 H1 TIP3 7283 25.242 11.622 52.440 1.00 0.00 WT3 H ATOM 45123 H2 TIP3 7283 25.593 11.237 51.019 1.00 0.00 WT3 H ATOM 45124 OH2 TIP3 7284 27.707 7.110 8.097 1.00 0.00 WT3 O ATOM 45125 H1 TIP3 7284 27.552 7.268 9.029 1.00 0.00 WT3 H ATOM 45126 H2 TIP3 7284 28.655 7.195 7.994 1.00 0.00 WT3 H ATOM 45127 OH2 TIP3 7286 48.815 83.360 57.321 1.00 0.00 WT3 O ATOM 45128 H1 TIP3 7286 49.760 83.494 57.393 1.00 0.00 WT3 H ATOM 45129 H2 TIP3 7286 48.499 83.390 58.224 1.00 0.00 WT3 H ATOM 45130 OH2 TIP3 7295 59.091 30.166 8.362 1.00 0.00 WT3 O ATOM 45131 H1 TIP3 7295 58.635 30.978 8.586 1.00 0.00 WT3 H ATOM 45132 H2 TIP3 7295 59.762 30.074 9.039 1.00 0.00 WT3 H ATOM 45133 OH2 TIP3 7299 39.813 79.718 32.409 1.00 0.00 WT3 O ATOM 45134 H1 TIP3 7299 39.477 80.613 32.358 1.00 0.00 WT3 H ATOM 45135 H2 TIP3 7299 40.191 79.554 31.545 1.00 0.00 WT3 H ATOM 45136 OH2 TIP3 7301 76.605 2.678 52.046 1.00 0.00 WT3 O ATOM 45137 H1 TIP3 7301 76.912 2.408 51.181 1.00 0.00 WT3 H ATOM 45138 H2 TIP3 7301 75.899 3.300 51.867 1.00 0.00 WT3 H ATOM 45139 OH2 TIP3 7302 55.892 95.431 -3.317 1.00 0.00 WT3 O ATOM 45140 H1 TIP3 7302 56.207 94.529 -3.375 1.00 0.00 WT3 H ATOM 45141 H2 TIP3 7302 56.683 95.955 -3.191 1.00 0.00 WT3 H ATOM 45142 OH2 TIP3 7305 90.386 83.049 16.791 1.00 0.00 WT3 O ATOM 45143 H1 TIP3 7305 89.983 82.456 16.157 1.00 0.00 WT3 H ATOM 45144 H2 TIP3 7305 90.564 82.498 17.554 1.00 0.00 WT3 H ATOM 45145 OH2 TIP3 7311 80.661 70.678 53.044 1.00 0.00 WT3 O ATOM 45146 H1 TIP3 7311 80.337 71.467 53.479 1.00 0.00 WT3 H ATOM 45147 H2 TIP3 7311 79.896 70.320 52.594 1.00 0.00 WT3 H ATOM 45148 OH2 TIP3 7312 54.947 74.052 5.234 1.00 0.00 WT3 O ATOM 45149 H1 TIP3 7312 55.575 73.645 5.831 1.00 0.00 WT3 H ATOM 45150 H2 TIP3 7312 54.094 73.889 5.635 1.00 0.00 WT3 H ATOM 45151 OH2 TIP3 7322 55.252 62.845 60.875 1.00 0.00 WT3 O ATOM 45152 H1 TIP3 7322 55.439 61.976 61.231 1.00 0.00 WT3 H ATOM 45153 H2 TIP3 7322 55.310 63.431 61.630 1.00 0.00 WT3 H ATOM 45154 OH2 TIP3 7340 74.350 85.659 29.462 1.00 0.00 WT3 O ATOM 45155 H1 TIP3 7340 74.356 85.634 30.419 1.00 0.00 WT3 H ATOM 45156 H2 TIP3 7340 73.980 84.816 29.202 1.00 0.00 WT3 H ATOM 45157 OH2 TIP3 7343 78.378 1.597 34.107 1.00 0.00 WT3 O ATOM 45158 H1 TIP3 7343 77.861 1.405 33.326 1.00 0.00 WT3 H ATOM 45159 H2 TIP3 7343 77.899 1.177 34.822 1.00 0.00 WT3 H ATOM 45160 OH2 TIP3 7366 86.067 43.142 53.156 1.00 0.00 WT3 O ATOM 45161 H1 TIP3 7366 85.380 43.220 53.818 1.00 0.00 WT3 H ATOM 45162 H2 TIP3 7366 86.557 43.962 53.222 1.00 0.00 WT3 H ATOM 45163 OH2 TIP3 7408 88.648 61.084 20.493 1.00 0.00 WT3 O ATOM 45164 H1 TIP3 7408 89.487 60.804 20.857 1.00 0.00 WT3 H ATOM 45165 H2 TIP3 7408 88.803 61.143 19.550 1.00 0.00 WT3 H ATOM 45166 OH2 TIP3 7412 72.434 41.483 48.077 1.00 0.00 WT3 O ATOM 45167 H1 TIP3 7412 73.151 42.040 48.381 1.00 0.00 WT3 H ATOM 45168 H2 TIP3 7412 72.841 40.632 47.919 1.00 0.00 WT3 H ATOM 45169 OH2 TIP3 7415 50.734 88.227 46.551 1.00 0.00 WT3 O ATOM 45170 H1 TIP3 7415 49.797 88.425 46.555 1.00 0.00 WT3 H ATOM 45171 H2 TIP3 7415 50.804 87.390 47.011 1.00 0.00 WT3 H ATOM 45172 OH2 TIP3 7418 47.688 19.365 -0.277 1.00 0.00 WT3 O ATOM 45173 H1 TIP3 7418 47.402 19.532 0.621 1.00 0.00 WT3 H ATOM 45174 H2 TIP3 7418 48.128 20.173 -0.543 1.00 0.00 WT3 H ATOM 45175 OH2 TIP3 7431 23.512 71.140 10.658 1.00 0.00 WT3 O ATOM 45176 H1 TIP3 7431 23.814 71.796 10.030 1.00 0.00 WT3 H ATOM 45177 H2 TIP3 7431 24.106 71.229 11.403 1.00 0.00 WT3 H ATOM 45178 OH2 TIP3 7435 49.978 92.718 13.210 1.00 0.00 WT3 O ATOM 45179 H1 TIP3 7435 50.380 93.264 12.534 1.00 0.00 WT3 H ATOM 45180 H2 TIP3 7435 50.582 92.771 13.951 1.00 0.00 WT3 H ATOM 45181 OH2 TIP3 7436 43.905 56.044 33.517 1.00 0.00 WT3 O ATOM 45182 H1 TIP3 7436 43.216 56.268 34.143 1.00 0.00 WT3 H ATOM 45183 H2 TIP3 7436 44.568 55.594 34.040 1.00 0.00 WT3 H ATOM 45184 OH2 TIP3 7437 71.566 37.633 -0.620 1.00 0.00 WT3 O ATOM 45185 H1 TIP3 7437 71.601 37.937 0.287 1.00 0.00 WT3 H ATOM 45186 H2 TIP3 7437 72.299 37.022 -0.697 1.00 0.00 WT3 H ATOM 45187 OH2 TIP3 7439 81.680 2.097 4.607 1.00 0.00 WT3 O ATOM 45188 H1 TIP3 7439 82.385 1.653 4.135 1.00 0.00 WT3 H ATOM 45189 H2 TIP3 7439 82.130 2.661 5.235 1.00 0.00 WT3 H ATOM 45190 OH2 TIP3 7451 83.693 66.724 44.765 1.00 0.00 WT3 O ATOM 45191 H1 TIP3 7451 83.163 66.479 44.007 1.00 0.00 WT3 H ATOM 45192 H2 TIP3 7451 84.273 67.413 44.440 1.00 0.00 WT3 H ATOM 45193 OH2 TIP3 7456 55.384 72.502 23.327 1.00 0.00 WT3 O ATOM 45194 H1 TIP3 7456 56.288 72.471 23.015 1.00 0.00 WT3 H ATOM 45195 H2 TIP3 7456 55.280 73.388 23.675 1.00 0.00 WT3 H ATOM 45196 OH2 TIP3 7461 31.432 21.594 56.850 1.00 0.00 WT3 O ATOM 45197 H1 TIP3 7461 30.688 21.214 57.318 1.00 0.00 WT3 H ATOM 45198 H2 TIP3 7461 31.166 22.495 56.667 1.00 0.00 WT3 H ATOM 45199 OH2 TIP3 7467 43.666 0.297 40.646 1.00 0.00 WT3 O ATOM 45200 H1 TIP3 7467 43.255 -0.280 40.002 1.00 0.00 WT3 H ATOM 45201 H2 TIP3 7467 44.485 0.571 40.234 1.00 0.00 WT3 H ATOM 45202 OH2 TIP3 7471 75.998 83.663 -14.981 1.00 0.00 WT3 O ATOM 45203 H1 TIP3 7471 75.443 82.973 -15.345 1.00 0.00 WT3 H ATOM 45204 H2 TIP3 7471 76.701 83.768 -15.622 1.00 0.00 WT3 H ATOM 45205 OH2 TIP3 7472 60.547 4.718 26.540 1.00 0.00 WT3 O ATOM 45206 H1 TIP3 7472 60.129 3.908 26.832 1.00 0.00 WT3 H ATOM 45207 H2 TIP3 7472 61.446 4.464 26.332 1.00 0.00 WT3 H ATOM 45208 OH2 TIP3 7473 75.301 49.296 51.917 1.00 0.00 WT3 O ATOM 45209 H1 TIP3 7473 75.120 49.719 52.757 1.00 0.00 WT3 H ATOM 45210 H2 TIP3 7473 75.192 49.993 51.270 1.00 0.00 WT3 H ATOM 45211 OH2 TIP3 7474 40.845 46.107 28.754 1.00 0.00 WT3 O ATOM 45212 H1 TIP3 7474 40.276 45.825 28.038 1.00 0.00 WT3 H ATOM 45213 H2 TIP3 7474 41.324 46.857 28.400 1.00 0.00 WT3 H ATOM 45214 OH2 TIP3 7476 22.393 55.054 48.909 1.00 0.00 WT3 O ATOM 45215 H1 TIP3 7476 23.182 55.354 48.458 1.00 0.00 WT3 H ATOM 45216 H2 TIP3 7476 21.827 55.826 48.941 1.00 0.00 WT3 H ATOM 45217 OH2 TIP3 7479 27.667 57.515 57.485 1.00 0.00 WT3 O ATOM 45218 H1 TIP3 7479 27.270 56.646 57.439 1.00 0.00 WT3 H ATOM 45219 H2 TIP3 7479 28.411 57.472 56.885 1.00 0.00 WT3 H ATOM 45220 OH2 TIP3 7480 52.451 48.678 -8.427 1.00 0.00 WT3 O ATOM 45221 H1 TIP3 7480 51.675 48.965 -7.945 1.00 0.00 WT3 H ATOM 45222 H2 TIP3 7480 52.699 47.852 -8.012 1.00 0.00 WT3 H ATOM 45223 OH2 TIP3 7483 70.755 1.058 11.121 1.00 0.00 WT3 O ATOM 45224 H1 TIP3 7483 71.520 1.348 11.617 1.00 0.00 WT3 H ATOM 45225 H2 TIP3 7483 70.818 0.103 11.117 1.00 0.00 WT3 H ATOM 45226 OH2 TIP3 7486 83.635 49.406 16.237 1.00 0.00 WT3 O ATOM 45227 H1 TIP3 7486 83.051 48.676 16.032 1.00 0.00 WT3 H ATOM 45228 H2 TIP3 7486 83.850 49.788 15.386 1.00 0.00 WT3 H ATOM 45229 OH2 TIP3 7490 53.475 36.861 41.095 1.00 0.00 WT3 O ATOM 45230 H1 TIP3 7490 52.744 37.479 41.090 1.00 0.00 WT3 H ATOM 45231 H2 TIP3 7490 53.085 36.031 41.370 1.00 0.00 WT3 H ATOM 45232 OH2 TIP3 7492 59.645 55.954 63.396 1.00 0.00 WT3 O ATOM 45233 H1 TIP3 7492 58.708 55.787 63.497 1.00 0.00 WT3 H ATOM 45234 H2 TIP3 7492 59.762 56.854 63.701 1.00 0.00 WT3 H ATOM 45235 OH2 TIP3 7493 89.709 49.426 45.686 1.00 0.00 WT3 O ATOM 45236 H1 TIP3 7493 90.261 49.041 45.007 1.00 0.00 WT3 H ATOM 45237 H2 TIP3 7493 88.838 49.470 45.291 1.00 0.00 WT3 H ATOM 45238 OH2 TIP3 7494 61.783 39.678 -3.201 1.00 0.00 WT3 O ATOM 45239 H1 TIP3 7494 60.988 39.835 -2.692 1.00 0.00 WT3 H ATOM 45240 H2 TIP3 7494 62.368 40.396 -2.960 1.00 0.00 WT3 H ATOM 45241 OH2 TIP3 7495 45.766 10.381 -1.681 1.00 0.00 WT3 O ATOM 45242 H1 TIP3 7495 44.916 10.308 -2.115 1.00 0.00 WT3 H ATOM 45243 H2 TIP3 7495 45.712 11.196 -1.182 1.00 0.00 WT3 H ATOM 45244 OH2 TIP3 7497 29.278 38.945 -8.006 1.00 0.00 WT3 O ATOM 45245 H1 TIP3 7497 29.920 38.692 -8.669 1.00 0.00 WT3 H ATOM 45246 H2 TIP3 7497 29.083 39.862 -8.199 1.00 0.00 WT3 H ATOM 45247 OH2 TIP3 7498 38.186 59.106 14.370 1.00 0.00 WT3 O ATOM 45248 H1 TIP3 7498 39.126 59.144 14.191 1.00 0.00 WT3 H ATOM 45249 H2 TIP3 7498 38.124 58.712 15.241 1.00 0.00 WT3 H ATOM 45250 OH2 TIP3 7500 73.877 45.095 57.685 1.00 0.00 WT3 O ATOM 45251 H1 TIP3 7500 73.847 46.012 57.413 1.00 0.00 WT3 H ATOM 45252 H2 TIP3 7500 73.271 44.649 57.094 1.00 0.00 WT3 H ATOM 45253 OH2 TIP3 7501 29.148 62.250 -2.386 1.00 0.00 WT3 O ATOM 45254 H1 TIP3 7501 28.841 62.652 -1.573 1.00 0.00 WT3 H ATOM 45255 H2 TIP3 7501 29.909 61.732 -2.125 1.00 0.00 WT3 H ATOM 45256 OH2 TIP3 7503 63.149 82.261 47.948 1.00 0.00 WT3 O ATOM 45257 H1 TIP3 7503 62.557 82.934 48.284 1.00 0.00 WT3 H ATOM 45258 H2 TIP3 7503 63.124 81.568 48.608 1.00 0.00 WT3 H ATOM 45259 OH2 TIP3 7504 61.684 82.220 2.984 1.00 0.00 WT3 O ATOM 45260 H1 TIP3 7504 61.866 81.280 2.993 1.00 0.00 WT3 H ATOM 45261 H2 TIP3 7504 60.933 82.324 3.569 1.00 0.00 WT3 H ATOM 45262 OH2 TIP3 7505 58.523 72.179 -4.852 1.00 0.00 WT3 O ATOM 45263 H1 TIP3 7505 58.950 71.828 -4.070 1.00 0.00 WT3 H ATOM 45264 H2 TIP3 7505 58.289 73.076 -4.615 1.00 0.00 WT3 H ATOM 45265 OH2 TIP3 7507 40.567 92.905 53.762 1.00 0.00 WT3 O ATOM 45266 H1 TIP3 7507 40.028 92.463 54.418 1.00 0.00 WT3 H ATOM 45267 H2 TIP3 7507 41.088 92.204 53.369 1.00 0.00 WT3 H ATOM 45268 OH2 TIP3 7508 74.317 96.473 -10.493 1.00 0.00 WT3 O ATOM 45269 H1 TIP3 7508 73.415 96.157 -10.544 1.00 0.00 WT3 H ATOM 45270 H2 TIP3 7508 74.752 95.862 -9.898 1.00 0.00 WT3 H ATOM 45271 OH2 TIP3 7509 53.230 54.264 50.362 1.00 0.00 WT3 O ATOM 45272 H1 TIP3 7509 52.937 53.609 49.729 1.00 0.00 WT3 H ATOM 45273 H2 TIP3 7509 53.104 55.102 49.916 1.00 0.00 WT3 H ATOM 45274 OH2 TIP3 7510 82.451 30.618 -10.555 1.00 0.00 WT3 O ATOM 45275 H1 TIP3 7510 82.128 29.717 -10.533 1.00 0.00 WT3 H ATOM 45276 H2 TIP3 7510 82.762 30.783 -9.665 1.00 0.00 WT3 H ATOM 45277 OH2 TIP3 7511 50.404 52.071 -12.325 1.00 0.00 WT3 O ATOM 45278 H1 TIP3 7511 51.163 51.531 -12.543 1.00 0.00 WT3 H ATOM 45279 H2 TIP3 7511 50.748 52.744 -11.738 1.00 0.00 WT3 H ATOM 45280 OH2 TIP3 7513 87.390 66.013 10.890 1.00 0.00 WT3 O ATOM 45281 H1 TIP3 7513 86.633 66.425 11.307 1.00 0.00 WT3 H ATOM 45282 H2 TIP3 7513 87.122 65.106 10.748 1.00 0.00 WT3 H ATOM 45283 OH2 TIP3 7516 82.247 94.857 3.928 1.00 0.00 WT3 O ATOM 45284 H1 TIP3 7516 83.059 94.359 3.831 1.00 0.00 WT3 H ATOM 45285 H2 TIP3 7516 82.415 95.681 3.472 1.00 0.00 WT3 H ATOM 45286 OH2 TIP3 7519 22.328 49.006 7.014 1.00 0.00 WT3 O ATOM 45287 H1 TIP3 7519 21.821 48.550 7.686 1.00 0.00 WT3 H ATOM 45288 H2 TIP3 7519 21.973 48.685 6.185 1.00 0.00 WT3 H ATOM 45289 OH2 TIP3 7520 72.754 49.125 38.029 1.00 0.00 WT3 O ATOM 45290 H1 TIP3 7520 72.720 49.775 37.328 1.00 0.00 WT3 H ATOM 45291 H2 TIP3 7520 72.252 49.517 38.744 1.00 0.00 WT3 H ATOM 45292 OH2 TIP3 7522 84.813 50.357 25.818 1.00 0.00 WT3 O ATOM 45293 H1 TIP3 7522 83.902 50.634 25.719 1.00 0.00 WT3 H ATOM 45294 H2 TIP3 7522 85.042 49.977 24.970 1.00 0.00 WT3 H ATOM 45295 OH2 TIP3 7523 51.033 24.015 33.019 1.00 0.00 WT3 O ATOM 45296 H1 TIP3 7523 50.686 24.769 32.543 1.00 0.00 WT3 H ATOM 45297 H2 TIP3 7523 50.792 23.260 32.481 1.00 0.00 WT3 H ATOM 45298 OH2 TIP3 7524 44.465 87.103 -12.650 1.00 0.00 WT3 O ATOM 45299 H1 TIP3 7524 45.060 87.582 -12.074 1.00 0.00 WT3 H ATOM 45300 H2 TIP3 7524 44.559 87.530 -13.502 1.00 0.00 WT3 H ATOM 45301 OH2 TIP3 7525 60.651 58.246 22.940 1.00 0.00 WT3 O ATOM 45302 H1 TIP3 7525 60.078 58.779 22.389 1.00 0.00 WT3 H ATOM 45303 H2 TIP3 7525 60.220 57.392 22.977 1.00 0.00 WT3 H ATOM 45304 OH2 TIP3 7526 24.380 53.599 20.415 1.00 0.00 WT3 O ATOM 45305 H1 TIP3 7526 23.900 52.810 20.667 1.00 0.00 WT3 H ATOM 45306 H2 TIP3 7526 24.652 53.436 19.512 1.00 0.00 WT3 H ATOM 45307 OH2 TIP3 7527 89.068 63.526 6.119 1.00 0.00 WT3 O ATOM 45308 H1 TIP3 7527 89.759 62.979 6.492 1.00 0.00 WT3 H ATOM 45309 H2 TIP3 7527 88.277 62.991 6.185 1.00 0.00 WT3 H ATOM 45310 OH2 TIP3 7528 89.984 41.279 49.200 1.00 0.00 WT3 O ATOM 45311 H1 TIP3 7528 90.183 41.287 50.136 1.00 0.00 WT3 H ATOM 45312 H2 TIP3 7528 89.729 42.179 49.001 1.00 0.00 WT3 H ATOM 45313 OH2 TIP3 7529 55.550 71.979 28.481 1.00 0.00 WT3 O ATOM 45314 H1 TIP3 7529 54.924 71.699 27.814 1.00 0.00 WT3 H ATOM 45315 H2 TIP3 7529 55.868 71.163 28.869 1.00 0.00 WT3 H ATOM 45316 OH2 TIP3 7530 52.705 68.464 31.965 1.00 0.00 WT3 O ATOM 45317 H1 TIP3 7530 53.571 68.789 32.212 1.00 0.00 WT3 H ATOM 45318 H2 TIP3 7530 52.855 67.968 31.160 1.00 0.00 WT3 H ATOM 45319 OH2 TIP3 7531 85.625 34.700 29.998 1.00 0.00 WT3 O ATOM 45320 H1 TIP3 7531 86.391 34.176 29.762 1.00 0.00 WT3 H ATOM 45321 H2 TIP3 7531 84.897 34.279 29.541 1.00 0.00 WT3 H ATOM 45322 OH2 TIP3 7532 76.249 85.955 48.604 1.00 0.00 WT3 O ATOM 45323 H1 TIP3 7532 76.523 85.202 48.081 1.00 0.00 WT3 H ATOM 45324 H2 TIP3 7532 77.066 86.394 48.839 1.00 0.00 WT3 H ATOM 45325 OH2 TIP3 7537 24.940 71.260 13.110 1.00 0.00 WT3 O ATOM 45326 H1 TIP3 7537 24.695 72.105 13.487 1.00 0.00 WT3 H ATOM 45327 H2 TIP3 7537 24.323 70.638 13.496 1.00 0.00 WT3 H ATOM 45328 OH2 TIP3 7538 20.454 78.968 6.348 1.00 0.00 WT3 O ATOM 45329 H1 TIP3 7538 20.911 78.316 6.879 1.00 0.00 WT3 H ATOM 45330 H2 TIP3 7538 20.078 79.575 6.986 1.00 0.00 WT3 H ATOM 45331 OH2 TIP3 7539 78.244 92.778 -8.065 1.00 0.00 WT3 O ATOM 45332 H1 TIP3 7539 77.524 92.672 -8.687 1.00 0.00 WT3 H ATOM 45333 H2 TIP3 7539 77.850 92.603 -7.210 1.00 0.00 WT3 H ATOM 45334 OH2 TIP3 7540 77.986 31.195 24.278 1.00 0.00 WT3 O ATOM 45335 H1 TIP3 7540 78.341 31.958 23.820 1.00 0.00 WT3 H ATOM 45336 H2 TIP3 7540 77.044 31.231 24.110 1.00 0.00 WT3 H ATOM 45337 OH2 TIP3 7541 27.570 6.509 51.517 1.00 0.00 WT3 O ATOM 45338 H1 TIP3 7541 26.884 6.962 52.009 1.00 0.00 WT3 H ATOM 45339 H2 TIP3 7541 27.103 5.841 51.014 1.00 0.00 WT3 H ATOM 45340 OH2 TIP3 7542 81.299 63.237 21.854 1.00 0.00 WT3 O ATOM 45341 H1 TIP3 7542 81.337 63.417 20.914 1.00 0.00 WT3 H ATOM 45342 H2 TIP3 7542 80.425 62.872 21.993 1.00 0.00 WT3 H ATOM 45343 OH2 TIP3 7544 83.709 73.058 35.080 1.00 0.00 WT3 O ATOM 45344 H1 TIP3 7544 83.849 72.115 35.164 1.00 0.00 WT3 H ATOM 45345 H2 TIP3 7544 82.771 73.176 35.231 1.00 0.00 WT3 H ATOM 45346 OH2 TIP3 7545 35.792 59.310 18.272 1.00 0.00 WT3 O ATOM 45347 H1 TIP3 7545 36.393 60.036 18.439 1.00 0.00 WT3 H ATOM 45348 H2 TIP3 7545 36.181 58.843 17.532 1.00 0.00 WT3 H ATOM 45349 OH2 TIP3 7547 69.696 33.362 62.221 1.00 0.00 WT3 O ATOM 45350 H1 TIP3 7547 70.232 33.644 61.480 1.00 0.00 WT3 H ATOM 45351 H2 TIP3 7547 69.062 34.069 62.342 1.00 0.00 WT3 H ATOM 45352 OH2 TIP3 7550 29.681 89.353 -0.516 1.00 0.00 WT3 O ATOM 45353 H1 TIP3 7550 29.351 89.487 0.372 1.00 0.00 WT3 H ATOM 45354 H2 TIP3 7550 29.406 90.134 -0.995 1.00 0.00 WT3 H ATOM 45355 OH2 TIP3 7551 32.012 20.021 22.516 1.00 0.00 WT3 O ATOM 45356 H1 TIP3 7551 32.135 19.994 23.465 1.00 0.00 WT3 H ATOM 45357 H2 TIP3 7551 32.724 20.576 22.198 1.00 0.00 WT3 H ATOM 45358 OH2 TIP3 7552 65.264 71.296 -6.003 1.00 0.00 WT3 O ATOM 45359 H1 TIP3 7552 65.738 71.984 -6.471 1.00 0.00 WT3 H ATOM 45360 H2 TIP3 7552 65.688 70.483 -6.278 1.00 0.00 WT3 H ATOM 45361 OH2 TIP3 7553 36.486 79.985 32.682 1.00 0.00 WT3 O ATOM 45362 H1 TIP3 7553 35.786 79.836 32.046 1.00 0.00 WT3 H ATOM 45363 H2 TIP3 7553 37.104 79.270 32.531 1.00 0.00 WT3 H ATOM 45364 OH2 TIP3 7554 45.120 74.398 47.966 1.00 0.00 WT3 O ATOM 45365 H1 TIP3 7554 44.507 73.665 48.012 1.00 0.00 WT3 H ATOM 45366 H2 TIP3 7554 45.971 73.990 47.805 1.00 0.00 WT3 H ATOM 45367 OH2 TIP3 7555 59.898 57.266 -5.850 1.00 0.00 WT3 O ATOM 45368 H1 TIP3 7555 60.776 56.915 -5.999 1.00 0.00 WT3 H ATOM 45369 H2 TIP3 7555 59.807 57.287 -4.897 1.00 0.00 WT3 H ATOM 45370 OH2 TIP3 7556 61.568 53.623 23.149 1.00 0.00 WT3 O ATOM 45371 H1 TIP3 7556 60.902 52.992 23.422 1.00 0.00 WT3 H ATOM 45372 H2 TIP3 7556 61.303 53.887 22.268 1.00 0.00 WT3 H ATOM 45373 OH2 TIP3 7557 57.469 18.330 26.249 1.00 0.00 WT3 O ATOM 45374 H1 TIP3 7557 56.952 19.123 26.105 1.00 0.00 WT3 H ATOM 45375 H2 TIP3 7557 58.329 18.651 26.520 1.00 0.00 WT3 H ATOM 45376 OH2 TIP3 7558 32.926 75.760 42.507 1.00 0.00 WT3 O ATOM 45377 H1 TIP3 7558 32.812 74.904 42.921 1.00 0.00 WT3 H ATOM 45378 H2 TIP3 7558 33.868 75.827 42.350 1.00 0.00 WT3 H ATOM 45379 OH2 TIP3 7559 26.372 20.864 7.368 1.00 0.00 WT3 O ATOM 45380 H1 TIP3 7559 27.229 21.191 7.095 1.00 0.00 WT3 H ATOM 45381 H2 TIP3 7559 26.055 21.514 7.995 1.00 0.00 WT3 H ATOM 45382 OH2 TIP3 7560 89.335 78.879 1.600 1.00 0.00 WT3 O ATOM 45383 H1 TIP3 7560 89.597 78.005 1.891 1.00 0.00 WT3 H ATOM 45384 H2 TIP3 7560 90.118 79.239 1.185 1.00 0.00 WT3 H ATOM 45385 OH2 TIP3 7561 38.976 76.513 -17.365 1.00 0.00 WT3 O ATOM 45386 H1 TIP3 7561 39.738 76.053 -17.012 1.00 0.00 WT3 H ATOM 45387 H2 TIP3 7561 38.293 76.387 -16.706 1.00 0.00 WT3 H ATOM 45388 OH2 TIP3 7562 69.899 66.865 -20.003 1.00 0.00 WT3 O ATOM 45389 H1 TIP3 7562 70.120 66.233 -19.320 1.00 0.00 WT3 H ATOM 45390 H2 TIP3 7562 68.961 67.021 -19.892 1.00 0.00 WT3 H ATOM 45391 OH2 TIP3 7563 78.055 58.131 19.506 1.00 0.00 WT3 O ATOM 45392 H1 TIP3 7563 78.958 58.440 19.572 1.00 0.00 WT3 H ATOM 45393 H2 TIP3 7563 77.543 58.919 19.323 1.00 0.00 WT3 H ATOM 45394 OH2 TIP3 7564 74.819 6.981 -19.023 1.00 0.00 WT3 O ATOM 45395 H1 TIP3 7564 74.655 7.910 -19.181 1.00 0.00 WT3 H ATOM 45396 H2 TIP3 7564 75.684 6.822 -19.401 1.00 0.00 WT3 H ATOM 45397 OH2 TIP3 7567 70.488 60.111 33.182 1.00 0.00 WT3 O ATOM 45398 H1 TIP3 7567 69.560 59.876 33.168 1.00 0.00 WT3 H ATOM 45399 H2 TIP3 7567 70.901 59.421 33.703 1.00 0.00 WT3 H ATOM 45400 OH2 TIP3 7568 29.530 47.222 -7.106 1.00 0.00 WT3 O ATOM 45401 H1 TIP3 7568 28.945 47.621 -7.750 1.00 0.00 WT3 H ATOM 45402 H2 TIP3 7568 30.214 47.877 -6.965 1.00 0.00 WT3 H ATOM 45403 OH2 TIP3 7570 28.678 24.692 36.604 1.00 0.00 WT3 O ATOM 45404 H1 TIP3 7570 27.747 24.555 36.781 1.00 0.00 WT3 H ATOM 45405 H2 TIP3 7570 28.751 24.639 35.651 1.00 0.00 WT3 H ATOM 45406 OH2 TIP3 7571 89.443 44.107 49.794 1.00 0.00 WT3 O ATOM 45407 H1 TIP3 7571 89.509 45.061 49.773 1.00 0.00 WT3 H ATOM 45408 H2 TIP3 7571 88.524 43.934 49.995 1.00 0.00 WT3 H ATOM 45409 OH2 TIP3 7572 55.397 17.091 62.609 1.00 0.00 WT3 O ATOM 45410 H1 TIP3 7572 55.932 17.425 61.889 1.00 0.00 WT3 H ATOM 45411 H2 TIP3 7572 55.406 16.141 62.494 1.00 0.00 WT3 H ATOM 45412 OH2 TIP3 7574 77.620 2.572 -4.919 1.00 0.00 WT3 O ATOM 45413 H1 TIP3 7574 77.746 2.504 -3.973 1.00 0.00 WT3 H ATOM 45414 H2 TIP3 7574 77.472 3.504 -5.076 1.00 0.00 WT3 H ATOM 45415 OH2 TIP3 7575 43.544 80.859 -15.896 1.00 0.00 WT3 O ATOM 45416 H1 TIP3 7575 43.606 80.378 -15.071 1.00 0.00 WT3 H ATOM 45417 H2 TIP3 7575 44.453 80.972 -16.178 1.00 0.00 WT3 H ATOM 45418 OH2 TIP3 7576 37.617 95.224 2.970 1.00 0.00 WT3 O ATOM 45419 H1 TIP3 7576 37.585 95.237 3.926 1.00 0.00 WT3 H ATOM 45420 H2 TIP3 7576 38.289 95.867 2.743 1.00 0.00 WT3 H ATOM 45421 OH2 TIP3 7578 48.269 66.765 65.912 1.00 0.00 WT3 O ATOM 45422 H1 TIP3 7578 48.743 67.481 65.491 1.00 0.00 WT3 H ATOM 45423 H2 TIP3 7578 47.508 66.618 65.351 1.00 0.00 WT3 H ATOM 45424 OH2 TIP3 7579 39.319 69.525 31.669 1.00 0.00 WT3 O ATOM 45425 H1 TIP3 7579 39.519 69.362 32.591 1.00 0.00 WT3 H ATOM 45426 H2 TIP3 7579 40.174 69.623 31.251 1.00 0.00 WT3 H ATOM 45427 OH2 TIP3 7580 69.285 61.857 1.119 1.00 0.00 WT3 O ATOM 45428 H1 TIP3 7580 70.050 61.705 1.674 1.00 0.00 WT3 H ATOM 45429 H2 TIP3 7580 68.783 62.528 1.581 1.00 0.00 WT3 H ATOM 45430 OH2 TIP3 7581 60.732 3.344 41.121 1.00 0.00 WT3 O ATOM 45431 H1 TIP3 7581 61.645 3.233 40.855 1.00 0.00 WT3 H ATOM 45432 H2 TIP3 7581 60.691 2.973 42.002 1.00 0.00 WT3 H ATOM 45433 OH2 TIP3 7582 51.223 8.315 29.643 1.00 0.00 WT3 O ATOM 45434 H1 TIP3 7582 50.766 8.848 28.992 1.00 0.00 WT3 H ATOM 45435 H2 TIP3 7582 52.141 8.342 29.373 1.00 0.00 WT3 H ATOM 45436 OH2 TIP3 7584 82.132 40.426 42.124 1.00 0.00 WT3 O ATOM 45437 H1 TIP3 7584 81.201 40.584 41.967 1.00 0.00 WT3 H ATOM 45438 H2 TIP3 7584 82.261 40.642 43.047 1.00 0.00 WT3 H ATOM 45439 OH2 TIP3 7585 24.787 8.423 59.987 1.00 0.00 WT3 O ATOM 45440 H1 TIP3 7585 25.415 8.801 59.372 1.00 0.00 WT3 H ATOM 45441 H2 TIP3 7585 24.226 7.867 59.447 1.00 0.00 WT3 H ATOM 45442 OH2 TIP3 7586 27.130 7.178 -13.821 1.00 0.00 WT3 O ATOM 45443 H1 TIP3 7586 27.644 7.486 -14.567 1.00 0.00 WT3 H ATOM 45444 H2 TIP3 7586 26.227 7.411 -14.038 1.00 0.00 WT3 H ATOM 45445 OH2 TIP3 7587 89.581 19.932 53.036 1.00 0.00 WT3 O ATOM 45446 H1 TIP3 7587 90.279 20.038 52.389 1.00 0.00 WT3 H ATOM 45447 H2 TIP3 7587 89.955 19.350 53.698 1.00 0.00 WT3 H ATOM 45448 OH2 TIP3 7588 75.366 70.956 36.007 1.00 0.00 WT3 O ATOM 45449 H1 TIP3 7588 75.554 70.224 35.419 1.00 0.00 WT3 H ATOM 45450 H2 TIP3 7588 74.559 71.339 35.663 1.00 0.00 WT3 H ATOM 45451 OH2 TIP3 7589 20.838 90.230 -6.407 1.00 0.00 WT3 O ATOM 45452 H1 TIP3 7589 21.587 90.644 -5.979 1.00 0.00 WT3 H ATOM 45453 H2 TIP3 7589 20.091 90.779 -6.168 1.00 0.00 WT3 H ATOM 45454 OH2 TIP3 7590 67.486 67.348 -5.048 1.00 0.00 WT3 O ATOM 45455 H1 TIP3 7590 67.401 66.399 -4.956 1.00 0.00 WT3 H ATOM 45456 H2 TIP3 7590 66.705 67.612 -5.535 1.00 0.00 WT3 H ATOM 45457 OH2 TIP3 7591 72.692 81.037 12.836 1.00 0.00 WT3 O ATOM 45458 H1 TIP3 7591 71.905 80.941 12.300 1.00 0.00 WT3 H ATOM 45459 H2 TIP3 7591 72.573 80.410 13.550 1.00 0.00 WT3 H ATOM 45460 OH2 TIP3 7592 45.933 16.789 30.914 1.00 0.00 WT3 O ATOM 45461 H1 TIP3 7592 46.070 17.283 30.106 1.00 0.00 WT3 H ATOM 45462 H2 TIP3 7592 46.466 17.243 31.566 1.00 0.00 WT3 H ATOM 45463 OH2 TIP3 7593 34.340 2.191 25.144 1.00 0.00 WT3 O ATOM 45464 H1 TIP3 7593 33.958 2.287 24.272 1.00 0.00 WT3 H ATOM 45465 H2 TIP3 7593 35.277 2.339 25.013 1.00 0.00 WT3 H ATOM 45466 OH2 TIP3 7594 89.514 74.575 48.424 1.00 0.00 WT3 O ATOM 45467 H1 TIP3 7594 90.413 74.314 48.224 1.00 0.00 WT3 H ATOM 45468 H2 TIP3 7594 89.091 74.655 47.568 1.00 0.00 WT3 H ATOM 45469 OH2 TIP3 7595 32.355 82.157 30.229 1.00 0.00 WT3 O ATOM 45470 H1 TIP3 7595 32.690 81.851 29.386 1.00 0.00 WT3 H ATOM 45471 H2 TIP3 7595 31.403 82.135 30.130 1.00 0.00 WT3 H ATOM 45472 OH2 TIP3 7596 61.081 80.045 -14.750 1.00 0.00 WT3 O ATOM 45473 H1 TIP3 7596 60.592 79.720 -15.505 1.00 0.00 WT3 H ATOM 45474 H2 TIP3 7596 61.553 79.280 -14.421 1.00 0.00 WT3 H ATOM 45475 OH2 TIP3 7597 61.617 15.823 10.491 1.00 0.00 WT3 O ATOM 45476 H1 TIP3 7597 61.471 14.952 10.122 1.00 0.00 WT3 H ATOM 45477 H2 TIP3 7597 61.944 16.342 9.756 1.00 0.00 WT3 H ATOM 45478 OH2 TIP3 7598 85.332 2.105 35.251 1.00 0.00 WT3 O ATOM 45479 H1 TIP3 7598 84.534 1.628 35.480 1.00 0.00 WT3 H ATOM 45480 H2 TIP3 7598 85.692 1.625 34.504 1.00 0.00 WT3 H ATOM 45481 OH2 TIP3 7599 34.680 34.805 14.160 1.00 0.00 WT3 O ATOM 45482 H1 TIP3 7599 35.384 34.831 13.512 1.00 0.00 WT3 H ATOM 45483 H2 TIP3 7599 34.965 35.405 14.849 1.00 0.00 WT3 H ATOM 45484 OH2 TIP3 7600 29.154 26.622 -11.755 1.00 0.00 WT3 O ATOM 45485 H1 TIP3 7600 28.368 26.231 -12.137 1.00 0.00 WT3 H ATOM 45486 H2 TIP3 7600 29.847 26.433 -12.387 1.00 0.00 WT3 H ATOM 45487 OH2 TIP3 7602 80.821 94.694 56.019 1.00 0.00 WT3 O ATOM 45488 H1 TIP3 7602 81.605 94.599 55.479 1.00 0.00 WT3 H ATOM 45489 H2 TIP3 7602 81.135 95.089 56.832 1.00 0.00 WT3 H ATOM 45490 OH2 TIP3 7604 68.636 2.824 -11.774 1.00 0.00 WT3 O ATOM 45491 H1 TIP3 7604 68.630 2.097 -12.396 1.00 0.00 WT3 H ATOM 45492 H2 TIP3 7604 69.484 3.248 -11.908 1.00 0.00 WT3 H ATOM 45493 OH2 TIP3 7605 82.813 14.784 -5.221 1.00 0.00 WT3 O ATOM 45494 H1 TIP3 7605 83.552 15.314 -5.519 1.00 0.00 WT3 H ATOM 45495 H2 TIP3 7605 82.365 15.335 -4.580 1.00 0.00 WT3 H ATOM 45496 OH2 TIP3 7606 83.580 41.118 33.181 1.00 0.00 WT3 O ATOM 45497 H1 TIP3 7606 83.262 41.259 34.073 1.00 0.00 WT3 H ATOM 45498 H2 TIP3 7606 83.983 40.250 33.204 1.00 0.00 WT3 H ATOM 45499 OH2 TIP3 7608 58.618 29.670 5.439 1.00 0.00 WT3 O ATOM 45500 H1 TIP3 7608 58.763 29.849 6.368 1.00 0.00 WT3 H ATOM 45501 H2 TIP3 7608 58.729 30.519 5.011 1.00 0.00 WT3 H ATOM 45502 OH2 TIP3 7609 42.242 14.565 14.925 1.00 0.00 WT3 O ATOM 45503 H1 TIP3 7609 42.365 15.396 15.384 1.00 0.00 WT3 H ATOM 45504 H2 TIP3 7609 42.377 14.779 14.002 1.00 0.00 WT3 H ATOM 45505 OH2 TIP3 7610 26.533 89.969 20.211 1.00 0.00 WT3 O ATOM 45506 H1 TIP3 7610 27.057 89.439 20.810 1.00 0.00 WT3 H ATOM 45507 H2 TIP3 7610 26.107 89.333 19.636 1.00 0.00 WT3 H ATOM 45508 OH2 TIP3 7611 43.994 16.243 2.609 1.00 0.00 WT3 O ATOM 45509 H1 TIP3 7611 44.917 16.187 2.855 1.00 0.00 WT3 H ATOM 45510 H2 TIP3 7611 43.755 15.349 2.364 1.00 0.00 WT3 H ATOM 45511 OH2 TIP3 7612 66.687 81.928 36.772 1.00 0.00 WT3 O ATOM 45512 H1 TIP3 7612 66.517 80.986 36.784 1.00 0.00 WT3 H ATOM 45513 H2 TIP3 7612 65.865 82.325 37.061 1.00 0.00 WT3 H ATOM 45514 OH2 TIP3 7613 30.047 15.845 30.673 1.00 0.00 WT3 O ATOM 45515 H1 TIP3 7613 30.799 15.254 30.633 1.00 0.00 WT3 H ATOM 45516 H2 TIP3 7613 30.196 16.369 31.460 1.00 0.00 WT3 H ATOM 45517 OH2 TIP3 7614 24.251 39.380 39.985 1.00 0.00 WT3 O ATOM 45518 H1 TIP3 7614 23.374 39.721 40.162 1.00 0.00 WT3 H ATOM 45519 H2 TIP3 7614 24.348 39.449 39.035 1.00 0.00 WT3 H ATOM 45520 OH2 TIP3 7615 71.067 52.249 -11.960 1.00 0.00 WT3 O ATOM 45521 H1 TIP3 7615 70.319 52.017 -12.510 1.00 0.00 WT3 H ATOM 45522 H2 TIP3 7615 70.809 51.981 -11.078 1.00 0.00 WT3 H ATOM 45523 OH2 TIP3 7616 31.837 76.445 15.565 1.00 0.00 WT3 O ATOM 45524 H1 TIP3 7616 32.443 76.343 16.299 1.00 0.00 WT3 H ATOM 45525 H2 TIP3 7616 32.359 76.231 14.792 1.00 0.00 WT3 H ATOM 45526 OH2 TIP3 7617 70.892 59.720 55.002 1.00 0.00 WT3 O ATOM 45527 H1 TIP3 7617 70.532 60.365 55.609 1.00 0.00 WT3 H ATOM 45528 H2 TIP3 7617 70.413 59.864 54.186 1.00 0.00 WT3 H ATOM 45529 OH2 TIP3 7618 57.017 13.835 43.818 1.00 0.00 WT3 O ATOM 45530 H1 TIP3 7618 56.391 13.114 43.891 1.00 0.00 WT3 H ATOM 45531 H2 TIP3 7618 56.632 14.422 43.169 1.00 0.00 WT3 H ATOM 45532 OH2 TIP3 7619 89.202 40.899 13.965 1.00 0.00 WT3 O ATOM 45533 H1 TIP3 7619 90.117 41.182 13.968 1.00 0.00 WT3 H ATOM 45534 H2 TIP3 7619 89.225 40.017 13.594 1.00 0.00 WT3 H ATOM 45535 OH2 TIP3 7620 81.410 2.464 -0.366 1.00 0.00 WT3 O ATOM 45536 H1 TIP3 7620 82.128 3.029 -0.079 1.00 0.00 WT3 H ATOM 45537 H2 TIP3 7620 81.831 1.799 -0.912 1.00 0.00 WT3 H ATOM 45538 OH2 TIP3 7621 62.868 85.553 25.403 1.00 0.00 WT3 O ATOM 45539 H1 TIP3 7621 62.168 85.100 25.873 1.00 0.00 WT3 H ATOM 45540 H2 TIP3 7621 62.947 85.079 24.575 1.00 0.00 WT3 H ATOM 45541 OH2 TIP3 7623 45.865 11.861 43.022 1.00 0.00 WT3 O ATOM 45542 H1 TIP3 7623 45.503 10.983 43.141 1.00 0.00 WT3 H ATOM 45543 H2 TIP3 7623 46.073 11.910 42.089 1.00 0.00 WT3 H ATOM 45544 OH2 TIP3 7624 61.231 86.984 58.089 1.00 0.00 WT3 O ATOM 45545 H1 TIP3 7624 60.679 86.430 57.538 1.00 0.00 WT3 H ATOM 45546 H2 TIP3 7624 60.613 87.494 58.613 1.00 0.00 WT3 H ATOM 45547 OH2 TIP3 7625 88.254 21.302 -17.255 1.00 0.00 WT3 O ATOM 45548 H1 TIP3 7625 89.063 21.811 -17.308 1.00 0.00 WT3 H ATOM 45549 H2 TIP3 7625 88.097 21.198 -16.316 1.00 0.00 WT3 H ATOM 45550 OH2 TIP3 7626 81.710 83.834 23.502 1.00 0.00 WT3 O ATOM 45551 H1 TIP3 7626 81.404 83.255 24.200 1.00 0.00 WT3 H ATOM 45552 H2 TIP3 7626 82.393 83.333 23.057 1.00 0.00 WT3 H ATOM 45553 OH2 TIP3 7627 84.247 81.347 19.966 1.00 0.00 WT3 O ATOM 45554 H1 TIP3 7627 84.953 80.760 19.696 1.00 0.00 WT3 H ATOM 45555 H2 TIP3 7627 84.626 81.868 20.674 1.00 0.00 WT3 H ATOM 45556 OH2 TIP3 7628 32.936 81.599 42.166 1.00 0.00 WT3 O ATOM 45557 H1 TIP3 7628 33.246 80.715 41.974 1.00 0.00 WT3 H ATOM 45558 H2 TIP3 7628 32.014 81.591 41.909 1.00 0.00 WT3 H ATOM 45559 OH2 TIP3 7629 21.995 74.964 30.543 1.00 0.00 WT3 O ATOM 45560 H1 TIP3 7629 22.560 74.412 31.084 1.00 0.00 WT3 H ATOM 45561 H2 TIP3 7629 21.126 74.871 30.933 1.00 0.00 WT3 H ATOM 45562 OH2 TIP3 7630 29.853 73.493 -4.964 1.00 0.00 WT3 O ATOM 45563 H1 TIP3 7630 30.174 73.309 -4.080 1.00 0.00 WT3 H ATOM 45564 H2 TIP3 7630 30.345 72.895 -5.527 1.00 0.00 WT3 H ATOM 45565 OH2 TIP3 7631 43.158 53.085 16.464 1.00 0.00 WT3 O ATOM 45566 H1 TIP3 7631 42.807 53.857 16.907 1.00 0.00 WT3 H ATOM 45567 H2 TIP3 7631 44.024 52.958 16.852 1.00 0.00 WT3 H ATOM 45568 OH2 TIP3 7632 75.003 35.584 61.558 1.00 0.00 WT3 O ATOM 45569 H1 TIP3 7632 75.197 36.305 60.959 1.00 0.00 WT3 H ATOM 45570 H2 TIP3 7632 75.536 35.765 62.332 1.00 0.00 WT3 H ATOM 45571 OH2 TIP3 7633 74.997 61.886 11.395 1.00 0.00 WT3 O ATOM 45572 H1 TIP3 7633 75.739 61.939 10.792 1.00 0.00 WT3 H ATOM 45573 H2 TIP3 7633 74.835 60.948 11.493 1.00 0.00 WT3 H ATOM 45574 OH2 TIP3 7634 89.292 58.846 16.238 1.00 0.00 WT3 O ATOM 45575 H1 TIP3 7634 89.523 59.774 16.200 1.00 0.00 WT3 H ATOM 45576 H2 TIP3 7634 88.846 58.743 17.079 1.00 0.00 WT3 H ATOM 45577 OH2 TIP3 7635 52.118 73.484 5.833 1.00 0.00 WT3 O ATOM 45578 H1 TIP3 7635 52.032 74.069 6.585 1.00 0.00 WT3 H ATOM 45579 H2 TIP3 7635 52.310 72.628 6.215 1.00 0.00 WT3 H ATOM 45580 OH2 TIP3 7636 80.910 70.959 37.903 1.00 0.00 WT3 O ATOM 45581 H1 TIP3 7636 81.853 70.891 38.053 1.00 0.00 WT3 H ATOM 45582 H2 TIP3 7636 80.777 70.573 37.037 1.00 0.00 WT3 H ATOM 45583 OH2 TIP3 7637 89.623 26.392 36.663 1.00 0.00 WT3 O ATOM 45584 H1 TIP3 7637 90.448 26.067 37.025 1.00 0.00 WT3 H ATOM 45585 H2 TIP3 7637 89.118 26.667 37.428 1.00 0.00 WT3 H ATOM 45586 OH2 TIP3 7638 69.945 1.955 61.444 1.00 0.00 WT3 O ATOM 45587 H1 TIP3 7638 69.323 1.246 61.606 1.00 0.00 WT3 H ATOM 45588 H2 TIP3 7638 69.511 2.511 60.797 1.00 0.00 WT3 H ATOM 45589 OH2 TIP3 7639 43.760 95.600 10.576 1.00 0.00 WT3 O ATOM 45590 H1 TIP3 7639 44.314 94.853 10.348 1.00 0.00 WT3 H ATOM 45591 H2 TIP3 7639 42.959 95.207 10.923 1.00 0.00 WT3 H ATOM 45592 OH2 TIP3 7640 68.101 73.864 61.078 1.00 0.00 WT3 O ATOM 45593 H1 TIP3 7640 67.425 73.557 60.475 1.00 0.00 WT3 H ATOM 45594 H2 TIP3 7640 67.822 74.747 61.323 1.00 0.00 WT3 H ATOM 45595 OH2 TIP3 7641 36.117 70.058 5.291 1.00 0.00 WT3 O ATOM 45596 H1 TIP3 7641 36.671 70.078 6.071 1.00 0.00 WT3 H ATOM 45597 H2 TIP3 7641 35.245 70.292 5.609 1.00 0.00 WT3 H ATOM 45598 OH2 TIP3 7642 81.302 43.591 -12.670 1.00 0.00 WT3 O ATOM 45599 H1 TIP3 7642 81.161 42.773 -12.194 1.00 0.00 WT3 H ATOM 45600 H2 TIP3 7642 80.424 43.870 -12.932 1.00 0.00 WT3 H ATOM 45601 OH2 TIP3 7643 52.448 73.630 0.116 1.00 0.00 WT3 O ATOM 45602 H1 TIP3 7643 52.431 73.715 1.069 1.00 0.00 WT3 H ATOM 45603 H2 TIP3 7643 53.366 73.758 -0.120 1.00 0.00 WT3 H ATOM 45604 OH2 TIP3 7644 34.122 54.325 9.195 1.00 0.00 WT3 O ATOM 45605 H1 TIP3 7644 34.772 54.847 8.725 1.00 0.00 WT3 H ATOM 45606 H2 TIP3 7644 33.340 54.877 9.217 1.00 0.00 WT3 H ATOM 45607 OH2 TIP3 7645 74.344 85.041 62.838 1.00 0.00 WT3 O ATOM 45608 H1 TIP3 7645 74.973 85.749 62.978 1.00 0.00 WT3 H ATOM 45609 H2 TIP3 7645 74.002 84.848 63.711 1.00 0.00 WT3 H ATOM 45610 OH2 TIP3 7646 55.972 83.300 26.245 1.00 0.00 WT3 O ATOM 45611 H1 TIP3 7646 55.684 84.045 25.718 1.00 0.00 WT3 H ATOM 45612 H2 TIP3 7646 55.287 82.642 26.125 1.00 0.00 WT3 H ATOM 45613 OH2 TIP3 7647 81.173 19.216 5.080 1.00 0.00 WT3 O ATOM 45614 H1 TIP3 7647 81.462 18.838 5.911 1.00 0.00 WT3 H ATOM 45615 H2 TIP3 7647 81.916 19.742 4.785 1.00 0.00 WT3 H ATOM 45616 OH2 TIP3 7649 80.499 50.676 5.500 1.00 0.00 WT3 O ATOM 45617 H1 TIP3 7649 81.132 51.096 6.082 1.00 0.00 WT3 H ATOM 45618 H2 TIP3 7649 81.032 50.137 4.915 1.00 0.00 WT3 H ATOM 45619 OH2 TIP3 7650 65.878 88.357 -18.424 1.00 0.00 WT3 O ATOM 45620 H1 TIP3 7650 66.329 87.529 -18.259 1.00 0.00 WT3 H ATOM 45621 H2 TIP3 7650 66.487 88.858 -18.968 1.00 0.00 WT3 H ATOM 45622 OH2 TIP3 7651 51.852 80.788 45.129 1.00 0.00 WT3 O ATOM 45623 H1 TIP3 7651 52.384 81.236 44.472 1.00 0.00 WT3 H ATOM 45624 H2 TIP3 7651 51.647 79.941 44.735 1.00 0.00 WT3 H ATOM 45625 OH2 TIP3 7652 24.914 53.688 65.227 1.00 0.00 WT3 O ATOM 45626 H1 TIP3 7652 25.265 54.326 64.606 1.00 0.00 WT3 H ATOM 45627 H2 TIP3 7652 25.081 54.073 66.087 1.00 0.00 WT3 H ATOM 45628 OH2 TIP3 7653 45.736 79.987 3.051 1.00 0.00 WT3 O ATOM 45629 H1 TIP3 7653 45.245 79.371 2.507 1.00 0.00 WT3 H ATOM 45630 H2 TIP3 7653 46.505 79.494 3.338 1.00 0.00 WT3 H ATOM 45631 OH2 TIP3 7654 56.099 22.956 -1.905 1.00 0.00 WT3 O ATOM 45632 H1 TIP3 7654 55.514 22.577 -1.248 1.00 0.00 WT3 H ATOM 45633 H2 TIP3 7654 55.591 23.666 -2.298 1.00 0.00 WT3 H ATOM 45634 OH2 TIP3 7656 20.915 61.580 2.356 1.00 0.00 WT3 O ATOM 45635 H1 TIP3 7656 21.563 62.283 2.300 1.00 0.00 WT3 H ATOM 45636 H2 TIP3 7656 21.100 61.149 3.190 1.00 0.00 WT3 H ATOM 45637 OH2 TIP3 7657 51.983 94.417 30.711 1.00 0.00 WT3 O ATOM 45638 H1 TIP3 7657 51.810 94.953 29.937 1.00 0.00 WT3 H ATOM 45639 H2 TIP3 7657 52.521 93.695 30.387 1.00 0.00 WT3 H ATOM 45640 OH2 TIP3 7658 60.067 76.876 -10.086 1.00 0.00 WT3 O ATOM 45641 H1 TIP3 7658 59.783 75.982 -10.277 1.00 0.00 WT3 H ATOM 45642 H2 TIP3 7658 60.284 76.864 -9.153 1.00 0.00 WT3 H ATOM 45643 OH2 TIP3 7659 46.716 1.425 40.004 1.00 0.00 WT3 O ATOM 45644 H1 TIP3 7659 46.678 1.530 40.954 1.00 0.00 WT3 H ATOM 45645 H2 TIP3 7659 47.424 2.008 39.726 1.00 0.00 WT3 H ATOM 45646 OH2 TIP3 7661 26.183 61.589 -0.804 1.00 0.00 WT3 O ATOM 45647 H1 TIP3 7661 25.394 62.121 -0.703 1.00 0.00 WT3 H ATOM 45648 H2 TIP3 7661 26.895 62.225 -0.870 1.00 0.00 WT3 H ATOM 45649 OH2 TIP3 7663 61.351 66.499 59.347 1.00 0.00 WT3 O ATOM 45650 H1 TIP3 7663 60.746 66.457 58.606 1.00 0.00 WT3 H ATOM 45651 H2 TIP3 7663 60.791 66.416 60.118 1.00 0.00 WT3 H ATOM 45652 OH2 TIP3 7664 51.807 89.777 1.893 1.00 0.00 WT3 O ATOM 45653 H1 TIP3 7664 52.736 89.947 2.053 1.00 0.00 WT3 H ATOM 45654 H2 TIP3 7664 51.544 89.192 2.603 1.00 0.00 WT3 H ATOM 45655 OH2 TIP3 7665 63.943 65.842 -12.476 1.00 0.00 WT3 O ATOM 45656 H1 TIP3 7665 63.951 65.495 -11.584 1.00 0.00 WT3 H ATOM 45657 H2 TIP3 7665 63.244 65.358 -12.915 1.00 0.00 WT3 H ATOM 45658 OH2 TIP3 7666 89.851 1.212 34.975 1.00 0.00 WT3 O ATOM 45659 H1 TIP3 7666 89.405 2.030 34.757 1.00 0.00 WT3 H ATOM 45660 H2 TIP3 7666 89.448 0.559 34.402 1.00 0.00 WT3 H ATOM 45661 OH2 TIP3 7668 65.453 10.006 3.224 1.00 0.00 WT3 O ATOM 45662 H1 TIP3 7668 64.718 10.498 3.589 1.00 0.00 WT3 H ATOM 45663 H2 TIP3 7668 66.147 10.091 3.878 1.00 0.00 WT3 H ATOM 45664 OH2 TIP3 7669 45.723 37.469 58.089 1.00 0.00 WT3 O ATOM 45665 H1 TIP3 7669 45.508 37.957 58.885 1.00 0.00 WT3 H ATOM 45666 H2 TIP3 7669 44.935 37.534 57.549 1.00 0.00 WT3 H ATOM 45667 OH2 TIP3 7670 65.465 32.341 -13.768 1.00 0.00 WT3 O ATOM 45668 H1 TIP3 7670 64.644 31.991 -14.111 1.00 0.00 WT3 H ATOM 45669 H2 TIP3 7670 65.285 32.512 -12.843 1.00 0.00 WT3 H ATOM 45670 OH2 TIP3 7671 65.395 42.203 10.869 1.00 0.00 WT3 O ATOM 45671 H1 TIP3 7671 65.773 41.936 11.707 1.00 0.00 WT3 H ATOM 45672 H2 TIP3 7671 64.495 42.450 11.079 1.00 0.00 WT3 H ATOM 45673 OH2 TIP3 7674 30.677 65.058 -15.042 1.00 0.00 WT3 O ATOM 45674 H1 TIP3 7674 31.318 65.650 -15.435 1.00 0.00 WT3 H ATOM 45675 H2 TIP3 7674 31.184 64.281 -14.804 1.00 0.00 WT3 H ATOM 45676 OH2 TIP3 7675 70.626 81.639 21.439 1.00 0.00 WT3 O ATOM 45677 H1 TIP3 7675 70.678 80.970 20.756 1.00 0.00 WT3 H ATOM 45678 H2 TIP3 7675 69.910 82.210 21.161 1.00 0.00 WT3 H ATOM 45679 OH2 TIP3 7676 79.414 40.669 41.962 1.00 0.00 WT3 O ATOM 45680 H1 TIP3 7676 78.698 40.608 42.594 1.00 0.00 WT3 H ATOM 45681 H2 TIP3 7676 79.261 41.496 41.505 1.00 0.00 WT3 H ATOM 45682 OH2 TIP3 7677 27.181 69.692 61.753 1.00 0.00 WT3 O ATOM 45683 H1 TIP3 7677 28.064 69.387 61.542 1.00 0.00 WT3 H ATOM 45684 H2 TIP3 7677 26.906 70.186 60.981 1.00 0.00 WT3 H ATOM 45685 OH2 TIP3 7678 39.266 91.527 35.357 1.00 0.00 WT3 O ATOM 45686 H1 TIP3 7678 39.025 92.108 36.078 1.00 0.00 WT3 H ATOM 45687 H2 TIP3 7678 40.021 91.951 34.949 1.00 0.00 WT3 H ATOM 45688 OH2 TIP3 7679 70.254 3.442 10.179 1.00 0.00 WT3 O ATOM 45689 H1 TIP3 7679 70.384 2.564 10.538 1.00 0.00 WT3 H ATOM 45690 H2 TIP3 7679 70.900 3.984 10.632 1.00 0.00 WT3 H ATOM 45691 OH2 TIP3 7680 33.232 61.082 1.372 1.00 0.00 WT3 O ATOM 45692 H1 TIP3 7680 32.601 60.376 1.511 1.00 0.00 WT3 H ATOM 45693 H2 TIP3 7680 33.999 60.823 1.882 1.00 0.00 WT3 H ATOM 45694 OH2 TIP3 7681 68.370 56.640 -18.969 1.00 0.00 WT3 O ATOM 45695 H1 TIP3 7681 67.948 55.792 -18.828 1.00 0.00 WT3 H ATOM 45696 H2 TIP3 7681 67.679 57.194 -19.333 1.00 0.00 WT3 H ATOM 45697 OH2 TIP3 7682 61.829 79.073 -5.428 1.00 0.00 WT3 O ATOM 45698 H1 TIP3 7682 62.133 79.980 -5.475 1.00 0.00 WT3 H ATOM 45699 H2 TIP3 7682 62.537 78.605 -4.986 1.00 0.00 WT3 H ATOM 45700 OH2 TIP3 7683 79.342 29.732 28.539 1.00 0.00 WT3 O ATOM 45701 H1 TIP3 7683 78.758 30.268 28.003 1.00 0.00 WT3 H ATOM 45702 H2 TIP3 7683 79.338 28.874 28.113 1.00 0.00 WT3 H ATOM 45703 OH2 TIP3 7684 21.838 56.545 -3.475 1.00 0.00 WT3 O ATOM 45704 H1 TIP3 7684 22.154 57.430 -3.655 1.00 0.00 WT3 H ATOM 45705 H2 TIP3 7684 22.075 56.386 -2.561 1.00 0.00 WT3 H ATOM 45706 OH2 TIP3 7685 59.528 93.446 33.068 1.00 0.00 WT3 O ATOM 45707 H1 TIP3 7685 60.295 93.645 33.606 1.00 0.00 WT3 H ATOM 45708 H2 TIP3 7685 58.802 93.408 33.690 1.00 0.00 WT3 H ATOM 45709 OH2 TIP3 7686 84.682 0.389 -12.138 1.00 0.00 WT3 O ATOM 45710 H1 TIP3 7686 83.733 0.324 -12.247 1.00 0.00 WT3 H ATOM 45711 H2 TIP3 7686 84.872 -0.147 -11.368 1.00 0.00 WT3 H ATOM 45712 OH2 TIP3 7690 89.238 93.379 65.897 1.00 0.00 WT3 O ATOM 45713 H1 TIP3 7690 88.573 93.679 66.517 1.00 0.00 WT3 H ATOM 45714 H2 TIP3 7690 88.916 93.667 65.043 1.00 0.00 WT3 H ATOM 45715 OH2 TIP3 7691 85.475 85.748 -12.908 1.00 0.00 WT3 O ATOM 45716 H1 TIP3 7691 85.087 85.084 -12.339 1.00 0.00 WT3 H ATOM 45717 H2 TIP3 7691 85.729 85.268 -13.697 1.00 0.00 WT3 H ATOM 45718 OH2 TIP3 7694 77.938 85.964 32.797 1.00 0.00 WT3 O ATOM 45719 H1 TIP3 7694 77.376 85.965 32.022 1.00 0.00 WT3 H ATOM 45720 H2 TIP3 7694 78.671 86.534 32.563 1.00 0.00 WT3 H ATOM 45721 OH2 TIP3 7695 68.718 35.623 44.937 1.00 0.00 WT3 O ATOM 45722 H1 TIP3 7695 68.158 36.242 45.405 1.00 0.00 WT3 H ATOM 45723 H2 TIP3 7695 69.599 35.800 45.267 1.00 0.00 WT3 H ATOM 45724 OH2 TIP3 7696 23.634 83.843 -5.826 1.00 0.00 WT3 O ATOM 45725 H1 TIP3 7696 23.989 84.722 -5.691 1.00 0.00 WT3 H ATOM 45726 H2 TIP3 7696 23.420 83.533 -4.946 1.00 0.00 WT3 H ATOM 45727 OH2 TIP3 7697 21.224 93.947 29.700 1.00 0.00 WT3 O ATOM 45728 H1 TIP3 7697 21.966 94.270 30.212 1.00 0.00 WT3 H ATOM 45729 H2 TIP3 7697 21.563 93.871 28.808 1.00 0.00 WT3 H ATOM 45730 OH2 TIP3 7698 60.016 40.578 2.885 1.00 0.00 WT3 O ATOM 45731 H1 TIP3 7698 59.511 40.787 3.670 1.00 0.00 WT3 H ATOM 45732 H2 TIP3 7698 59.379 40.185 2.288 1.00 0.00 WT3 H ATOM 45733 OH2 TIP3 7700 39.083 79.812 -11.546 1.00 0.00 WT3 O ATOM 45734 H1 TIP3 7700 39.364 79.257 -10.819 1.00 0.00 WT3 H ATOM 45735 H2 TIP3 7700 38.422 80.390 -11.165 1.00 0.00 WT3 H ATOM 45736 OH2 TIP3 7701 34.530 53.617 -3.129 1.00 0.00 WT3 O ATOM 45737 H1 TIP3 7701 34.678 53.914 -2.231 1.00 0.00 WT3 H ATOM 45738 H2 TIP3 7701 33.644 53.256 -3.119 1.00 0.00 WT3 H ATOM 45739 OH2 TIP3 7702 49.270 87.948 16.337 1.00 0.00 WT3 O ATOM 45740 H1 TIP3 7702 50.035 88.459 16.070 1.00 0.00 WT3 H ATOM 45741 H2 TIP3 7702 49.553 87.488 17.127 1.00 0.00 WT3 H ATOM 45742 OH2 TIP3 7704 88.082 76.385 4.277 1.00 0.00 WT3 O ATOM 45743 H1 TIP3 7704 89.034 76.466 4.334 1.00 0.00 WT3 H ATOM 45744 H2 TIP3 7704 87.928 75.449 4.150 1.00 0.00 WT3 H ATOM 45745 OH2 TIP3 7705 45.028 67.181 50.280 1.00 0.00 WT3 O ATOM 45746 H1 TIP3 7705 44.314 67.330 49.659 1.00 0.00 WT3 H ATOM 45747 H2 TIP3 7705 45.696 66.723 49.771 1.00 0.00 WT3 H ATOM 45748 OH2 TIP3 7706 51.658 77.867 15.430 1.00 0.00 WT3 O ATOM 45749 H1 TIP3 7706 51.269 78.492 14.819 1.00 0.00 WT3 H ATOM 45750 H2 TIP3 7706 51.594 78.294 16.284 1.00 0.00 WT3 H ATOM 45751 OH2 TIP3 7707 32.191 95.135 66.263 1.00 0.00 WT3 O ATOM 45752 H1 TIP3 7707 32.189 94.791 65.370 1.00 0.00 WT3 H ATOM 45753 H2 TIP3 7707 31.290 95.421 66.412 1.00 0.00 WT3 H ATOM 45754 OH2 TIP3 7708 65.507 7.844 61.489 1.00 0.00 WT3 O ATOM 45755 H1 TIP3 7708 65.429 6.964 61.120 1.00 0.00 WT3 H ATOM 45756 H2 TIP3 7708 64.848 7.872 62.183 1.00 0.00 WT3 H ATOM 45757 OH2 TIP3 7709 81.563 21.124 43.431 1.00 0.00 WT3 O ATOM 45758 H1 TIP3 7709 82.274 21.713 43.180 1.00 0.00 WT3 H ATOM 45759 H2 TIP3 7709 81.097 21.592 44.124 1.00 0.00 WT3 H ATOM 45760 OH2 TIP3 7710 81.775 90.897 12.614 1.00 0.00 WT3 O ATOM 45761 H1 TIP3 7710 81.910 89.952 12.538 1.00 0.00 WT3 H ATOM 45762 H2 TIP3 7710 82.164 91.128 13.457 1.00 0.00 WT3 H ATOM 45763 OH2 TIP3 7712 68.493 11.421 -6.393 1.00 0.00 WT3 O ATOM 45764 H1 TIP3 7712 68.290 11.961 -7.158 1.00 0.00 WT3 H ATOM 45765 H2 TIP3 7712 68.899 12.027 -5.773 1.00 0.00 WT3 H ATOM 45766 OH2 TIP3 7713 56.570 18.966 53.257 1.00 0.00 WT3 O ATOM 45767 H1 TIP3 7713 56.939 19.180 54.114 1.00 0.00 WT3 H ATOM 45768 H2 TIP3 7713 55.623 19.024 53.382 1.00 0.00 WT3 H ATOM 45769 OH2 TIP3 7714 30.057 94.600 62.029 1.00 0.00 WT3 O ATOM 45770 H1 TIP3 7714 30.059 95.552 61.930 1.00 0.00 WT3 H ATOM 45771 H2 TIP3 7714 29.956 94.456 62.970 1.00 0.00 WT3 H ATOM 45772 OH2 TIP3 7716 51.890 14.014 0.214 1.00 0.00 WT3 O ATOM 45773 H1 TIP3 7716 52.330 13.657 0.985 1.00 0.00 WT3 H ATOM 45774 H2 TIP3 7716 51.837 14.955 0.382 1.00 0.00 WT3 H ATOM 45775 OH2 TIP3 7717 23.488 17.715 -10.747 1.00 0.00 WT3 O ATOM 45776 H1 TIP3 7717 22.660 17.436 -11.136 1.00 0.00 WT3 H ATOM 45777 H2 TIP3 7717 23.456 18.671 -10.773 1.00 0.00 WT3 H ATOM 45778 OH2 TIP3 7721 38.575 0.739 22.489 1.00 0.00 WT3 O ATOM 45779 H1 TIP3 7721 39.278 1.333 22.225 1.00 0.00 WT3 H ATOM 45780 H2 TIP3 7721 37.898 0.857 21.823 1.00 0.00 WT3 H ATOM 45781 OH2 TIP3 7722 76.522 13.881 6.086 1.00 0.00 WT3 O ATOM 45782 H1 TIP3 7722 77.432 14.027 6.345 1.00 0.00 WT3 H ATOM 45783 H2 TIP3 7722 76.282 14.670 5.599 1.00 0.00 WT3 H ATOM 45784 OH2 TIP3 7723 48.406 76.727 57.583 1.00 0.00 WT3 O ATOM 45785 H1 TIP3 7723 48.581 76.054 56.925 1.00 0.00 WT3 H ATOM 45786 H2 TIP3 7723 49.136 77.341 57.498 1.00 0.00 WT3 H ATOM 45787 OH2 TIP3 7724 28.496 86.263 57.897 1.00 0.00 WT3 O ATOM 45788 H1 TIP3 7724 27.937 85.515 57.686 1.00 0.00 WT3 H ATOM 45789 H2 TIP3 7724 27.995 87.025 57.607 1.00 0.00 WT3 H ATOM 45790 OH2 TIP3 7733 35.033 22.756 28.225 1.00 0.00 WT3 O ATOM 45791 H1 TIP3 7733 35.157 23.216 29.055 1.00 0.00 WT3 H ATOM 45792 H2 TIP3 7733 35.530 23.270 27.589 1.00 0.00 WT3 H ATOM 45793 OH2 TIP3 7734 34.963 66.914 27.065 1.00 0.00 WT3 O ATOM 45794 H1 TIP3 7734 35.641 66.593 26.471 1.00 0.00 WT3 H ATOM 45795 H2 TIP3 7734 34.674 67.739 26.677 1.00 0.00 WT3 H ATOM 45796 OH2 TIP3 7735 73.853 77.395 9.885 1.00 0.00 WT3 O ATOM 45797 H1 TIP3 7735 73.661 76.527 9.528 1.00 0.00 WT3 H ATOM 45798 H2 TIP3 7735 73.023 77.868 9.823 1.00 0.00 WT3 H ATOM 45799 OH2 TIP3 7739 72.414 1.635 52.028 1.00 0.00 WT3 O ATOM 45800 H1 TIP3 7739 72.504 1.062 51.267 1.00 0.00 WT3 H ATOM 45801 H2 TIP3 7739 73.049 2.335 51.879 1.00 0.00 WT3 H ATOM 45802 OH2 TIP3 7743 32.774 78.767 24.633 1.00 0.00 WT3 O ATOM 45803 H1 TIP3 7743 33.465 78.210 24.991 1.00 0.00 WT3 H ATOM 45804 H2 TIP3 7743 33.180 79.203 23.884 1.00 0.00 WT3 H ATOM 45805 OH2 TIP3 7744 51.977 52.514 21.211 1.00 0.00 WT3 O ATOM 45806 H1 TIP3 7744 51.532 51.915 20.612 1.00 0.00 WT3 H ATOM 45807 H2 TIP3 7744 51.716 53.387 20.915 1.00 0.00 WT3 H ATOM 45808 OH2 TIP3 7757 36.103 70.381 29.347 1.00 0.00 WT3 O ATOM 45809 H1 TIP3 7757 37.004 70.600 29.110 1.00 0.00 WT3 H ATOM 45810 H2 TIP3 7757 36.031 69.442 29.175 1.00 0.00 WT3 H ATOM 45811 OH2 TIP3 7791 56.510 71.254 63.393 1.00 0.00 WT3 O ATOM 45812 H1 TIP3 7791 55.792 71.816 63.686 1.00 0.00 WT3 H ATOM 45813 H2 TIP3 7791 56.122 70.705 62.711 1.00 0.00 WT3 H ATOM 45814 OH2 TIP3 7855 87.903 6.055 49.485 1.00 0.00 WT3 O ATOM 45815 H1 TIP3 7855 87.975 7.006 49.565 1.00 0.00 WT3 H ATOM 45816 H2 TIP3 7855 88.758 5.726 49.763 1.00 0.00 WT3 H ATOM 45817 OH2 TIP3 7867 57.095 90.017 50.668 1.00 0.00 WT3 O ATOM 45818 H1 TIP3 7867 57.587 89.225 50.452 1.00 0.00 WT3 H ATOM 45819 H2 TIP3 7867 57.549 90.381 51.428 1.00 0.00 WT3 H ATOM 45820 OH2 TIP3 7869 58.509 65.139 27.680 1.00 0.00 WT3 O ATOM 45821 H1 TIP3 7869 57.791 64.812 28.222 1.00 0.00 WT3 H ATOM 45822 H2 TIP3 7869 58.375 64.722 26.828 1.00 0.00 WT3 H ATOM 45823 OH2 TIP3 7872 55.490 32.528 -0.896 1.00 0.00 WT3 O ATOM 45824 H1 TIP3 7872 54.729 32.315 -0.356 1.00 0.00 WT3 H ATOM 45825 H2 TIP3 7872 56.211 32.042 -0.497 1.00 0.00 WT3 H ATOM 45826 OH2 TIP3 7876 75.288 4.892 10.583 1.00 0.00 WT3 O ATOM 45827 H1 TIP3 7876 75.622 5.678 10.150 1.00 0.00 WT3 H ATOM 45828 H2 TIP3 7876 75.983 4.243 10.473 1.00 0.00 WT3 H ATOM 45829 OH2 TIP3 7883 60.703 43.298 -11.719 1.00 0.00 WT3 O ATOM 45830 H1 TIP3 7883 60.211 43.238 -10.899 1.00 0.00 WT3 H ATOM 45831 H2 TIP3 7883 60.676 42.412 -12.079 1.00 0.00 WT3 H ATOM 45832 OH2 TIP3 7886 66.172 67.385 29.580 1.00 0.00 WT3 O ATOM 45833 H1 TIP3 7886 66.589 67.488 28.725 1.00 0.00 WT3 H ATOM 45834 H2 TIP3 7886 65.315 67.007 29.385 1.00 0.00 WT3 H ATOM 45835 OH2 TIP3 7891 81.726 92.530 37.534 1.00 0.00 WT3 O ATOM 45836 H1 TIP3 7891 82.503 92.559 36.976 1.00 0.00 WT3 H ATOM 45837 H2 TIP3 7891 81.171 91.858 37.139 1.00 0.00 WT3 H ATOM 45838 OH2 TIP3 7894 50.213 26.023 39.572 1.00 0.00 WT3 O ATOM 45839 H1 TIP3 7894 49.348 26.413 39.448 1.00 0.00 WT3 H ATOM 45840 H2 TIP3 7894 50.083 25.361 40.251 1.00 0.00 WT3 H ATOM 45841 OH2 TIP3 7895 77.561 90.338 -3.411 1.00 0.00 WT3 O ATOM 45842 H1 TIP3 7895 77.110 90.562 -2.597 1.00 0.00 WT3 H ATOM 45843 H2 TIP3 7895 77.473 91.119 -3.957 1.00 0.00 WT3 H ATOM 45844 OH2 TIP3 7896 40.108 54.439 -0.151 1.00 0.00 WT3 O ATOM 45845 H1 TIP3 7896 40.017 55.383 -0.279 1.00 0.00 WT3 H ATOM 45846 H2 TIP3 7896 39.212 54.104 -0.193 1.00 0.00 WT3 H ATOM 45847 OH2 TIP3 7897 38.300 91.106 49.217 1.00 0.00 WT3 O ATOM 45848 H1 TIP3 7897 37.625 91.766 49.060 1.00 0.00 WT3 H ATOM 45849 H2 TIP3 7897 39.122 91.597 49.211 1.00 0.00 WT3 H ATOM 45850 OH2 TIP3 7901 78.174 75.339 -2.004 1.00 0.00 WT3 O ATOM 45851 H1 TIP3 7901 78.502 76.091 -2.498 1.00 0.00 WT3 H ATOM 45852 H2 TIP3 7901 77.251 75.538 -1.849 1.00 0.00 WT3 H ATOM 45853 OH2 TIP3 7908 85.921 31.313 8.356 1.00 0.00 WT3 O ATOM 45854 H1 TIP3 7908 86.779 31.087 7.996 1.00 0.00 WT3 H ATOM 45855 H2 TIP3 7908 85.666 32.108 7.888 1.00 0.00 WT3 H ATOM 45856 OH2 TIP3 7915 81.558 45.342 41.442 1.00 0.00 WT3 O ATOM 45857 H1 TIP3 7915 82.338 45.896 41.410 1.00 0.00 WT3 H ATOM 45858 H2 TIP3 7915 80.827 45.959 41.487 1.00 0.00 WT3 H ATOM 45859 OH2 TIP3 7922 42.087 94.457 56.148 1.00 0.00 WT3 O ATOM 45860 H1 TIP3 7922 41.882 94.323 55.222 1.00 0.00 WT3 H ATOM 45861 H2 TIP3 7922 42.437 93.615 56.439 1.00 0.00 WT3 H ATOM 45862 OH2 TIP3 7923 62.337 69.610 -2.289 1.00 0.00 WT3 O ATOM 45863 H1 TIP3 7923 61.797 68.821 -2.239 1.00 0.00 WT3 H ATOM 45864 H2 TIP3 7923 62.668 69.732 -1.399 1.00 0.00 WT3 H ATOM 45865 OH2 TIP3 7924 77.630 37.925 41.075 1.00 0.00 WT3 O ATOM 45866 H1 TIP3 7924 77.402 37.606 40.202 1.00 0.00 WT3 H ATOM 45867 H2 TIP3 7924 78.165 38.702 40.915 1.00 0.00 WT3 H ATOM 45868 OH2 TIP3 7926 65.076 2.185 13.585 1.00 0.00 WT3 O ATOM 45869 H1 TIP3 7926 64.566 1.610 14.155 1.00 0.00 WT3 H ATOM 45870 H2 TIP3 7926 64.578 3.002 13.561 1.00 0.00 WT3 H ATOM 45871 OH2 TIP3 7927 49.544 77.183 3.730 1.00 0.00 WT3 O ATOM 45872 H1 TIP3 7927 50.098 76.424 3.912 1.00 0.00 WT3 H ATOM 45873 H2 TIP3 7927 49.576 77.702 4.534 1.00 0.00 WT3 H ATOM 45874 OH2 TIP3 7929 30.563 85.402 2.470 1.00 0.00 WT3 O ATOM 45875 H1 TIP3 7929 31.295 85.652 3.034 1.00 0.00 WT3 H ATOM 45876 H2 TIP3 7929 30.665 84.459 2.346 1.00 0.00 WT3 H ATOM 45877 OH2 TIP3 7930 88.669 80.467 17.538 1.00 0.00 WT3 O ATOM 45878 H1 TIP3 7930 89.430 80.637 18.093 1.00 0.00 WT3 H ATOM 45879 H2 TIP3 7930 88.981 80.626 16.647 1.00 0.00 WT3 H ATOM 45880 OH2 TIP3 7931 67.689 32.424 -19.933 1.00 0.00 WT3 O ATOM 45881 H1 TIP3 7931 68.047 31.569 -20.172 1.00 0.00 WT3 H ATOM 45882 H2 TIP3 7931 67.209 32.264 -19.121 1.00 0.00 WT3 H ATOM 45883 OH2 TIP3 7932 37.859 12.419 13.626 1.00 0.00 WT3 O ATOM 45884 H1 TIP3 7932 37.019 11.961 13.603 1.00 0.00 WT3 H ATOM 45885 H2 TIP3 7932 37.646 13.295 13.947 1.00 0.00 WT3 H ATOM 45886 OH2 TIP3 7933 76.401 24.918 30.874 1.00 0.00 WT3 O ATOM 45887 H1 TIP3 7933 76.551 25.454 30.095 1.00 0.00 WT3 H ATOM 45888 H2 TIP3 7933 77.242 24.494 31.040 1.00 0.00 WT3 H ATOM 45889 OH2 TIP3 7937 72.771 85.486 43.224 1.00 0.00 WT3 O ATOM 45890 H1 TIP3 7937 71.932 85.461 42.765 1.00 0.00 WT3 H ATOM 45891 H2 TIP3 7937 72.565 85.860 44.081 1.00 0.00 WT3 H ATOM 45892 OH2 TIP3 7938 43.925 16.293 48.225 1.00 0.00 WT3 O ATOM 45893 H1 TIP3 7938 43.637 17.203 48.159 1.00 0.00 WT3 H ATOM 45894 H2 TIP3 7938 44.812 16.295 47.864 1.00 0.00 WT3 H ATOM 45895 OH2 TIP3 7939 83.250 4.838 41.121 1.00 0.00 WT3 O ATOM 45896 H1 TIP3 7939 83.439 4.834 40.182 1.00 0.00 WT3 H ATOM 45897 H2 TIP3 7939 84.060 4.536 41.530 1.00 0.00 WT3 H ATOM 45898 OH2 TIP3 7941 39.033 73.435 -19.305 1.00 0.00 WT3 O ATOM 45899 H1 TIP3 7941 38.806 73.582 -20.223 1.00 0.00 WT3 H ATOM 45900 H2 TIP3 7941 39.989 73.487 -19.283 1.00 0.00 WT3 H ATOM 45901 OH2 TIP3 7942 49.066 66.439 5.706 1.00 0.00 WT3 O ATOM 45902 H1 TIP3 7942 49.354 66.157 6.574 1.00 0.00 WT3 H ATOM 45903 H2 TIP3 7942 49.832 66.311 5.146 1.00 0.00 WT3 H ATOM 45904 OH2 TIP3 7943 50.890 78.524 5.891 1.00 0.00 WT3 O ATOM 45905 H1 TIP3 7943 51.806 78.732 5.704 1.00 0.00 WT3 H ATOM 45906 H2 TIP3 7943 50.930 77.783 6.496 1.00 0.00 WT3 H ATOM 45907 OH2 TIP3 7945 75.584 63.833 13.115 1.00 0.00 WT3 O ATOM 45908 H1 TIP3 7945 75.353 63.078 12.574 1.00 0.00 WT3 H ATOM 45909 H2 TIP3 7945 74.906 64.482 12.923 1.00 0.00 WT3 H ATOM 45910 OH2 TIP3 7947 63.884 93.908 26.411 1.00 0.00 WT3 O ATOM 45911 H1 TIP3 7947 64.050 94.834 26.235 1.00 0.00 WT3 H ATOM 45912 H2 TIP3 7947 64.219 93.768 27.297 1.00 0.00 WT3 H ATOM 45913 OH2 TIP3 7948 82.726 40.145 -15.844 1.00 0.00 WT3 O ATOM 45914 H1 TIP3 7948 82.078 40.706 -16.271 1.00 0.00 WT3 H ATOM 45915 H2 TIP3 7948 82.210 39.454 -15.430 1.00 0.00 WT3 H ATOM 45916 OH2 TIP3 7949 55.719 25.368 20.286 1.00 0.00 WT3 O ATOM 45917 H1 TIP3 7949 55.129 25.960 20.753 1.00 0.00 WT3 H ATOM 45918 H2 TIP3 7949 56.573 25.506 20.696 1.00 0.00 WT3 H ATOM 45919 OH2 TIP3 7950 74.703 67.596 32.372 1.00 0.00 WT3 O ATOM 45920 H1 TIP3 7950 74.224 67.973 31.634 1.00 0.00 WT3 H ATOM 45921 H2 TIP3 7950 74.765 66.664 32.167 1.00 0.00 WT3 H ATOM 45922 OH2 TIP3 7951 80.984 55.783 11.714 1.00 0.00 WT3 O ATOM 45923 H1 TIP3 7951 80.419 55.086 12.047 1.00 0.00 WT3 H ATOM 45924 H2 TIP3 7951 81.732 55.793 12.311 1.00 0.00 WT3 H ATOM 45925 OH2 TIP3 7952 48.966 57.335 9.502 1.00 0.00 WT3 O ATOM 45926 H1 TIP3 7952 48.392 58.010 9.865 1.00 0.00 WT3 H ATOM 45927 H2 TIP3 7952 49.793 57.445 9.972 1.00 0.00 WT3 H ATOM 45928 OH2 TIP3 7953 90.075 46.089 66.199 1.00 0.00 WT3 O ATOM 45929 H1 TIP3 7953 89.500 45.911 66.943 1.00 0.00 WT3 H ATOM 45930 H2 TIP3 7953 90.078 47.043 66.120 1.00 0.00 WT3 H ATOM 45931 OH2 TIP3 7955 70.329 7.299 6.408 1.00 0.00 WT3 O ATOM 45932 H1 TIP3 7955 70.944 7.154 7.127 1.00 0.00 WT3 H ATOM 45933 H2 TIP3 7955 69.583 6.735 6.613 1.00 0.00 WT3 H ATOM 45934 OH2 TIP3 7957 48.065 93.197 35.334 1.00 0.00 WT3 O ATOM 45935 H1 TIP3 7957 47.501 92.427 35.401 1.00 0.00 WT3 H ATOM 45936 H2 TIP3 7957 47.978 93.633 36.181 1.00 0.00 WT3 H ATOM 45937 OH2 TIP3 7958 69.672 91.897 53.438 1.00 0.00 WT3 O ATOM 45938 H1 TIP3 7958 70.544 91.939 53.044 1.00 0.00 WT3 H ATOM 45939 H2 TIP3 7958 69.811 91.467 54.282 1.00 0.00 WT3 H ATOM 45940 OH2 TIP3 7960 34.606 21.517 -14.432 1.00 0.00 WT3 O ATOM 45941 H1 TIP3 7960 34.554 22.377 -14.850 1.00 0.00 WT3 H ATOM 45942 H2 TIP3 7960 33.789 21.082 -14.676 1.00 0.00 WT3 H ATOM 45943 OH2 TIP3 7961 41.256 17.131 -18.383 1.00 0.00 WT3 O ATOM 45944 H1 TIP3 7961 41.416 16.191 -18.295 1.00 0.00 WT3 H ATOM 45945 H2 TIP3 7961 42.113 17.501 -18.594 1.00 0.00 WT3 H ATOM 45946 OH2 TIP3 7962 24.423 59.554 55.254 1.00 0.00 WT3 O ATOM 45947 H1 TIP3 7962 23.575 59.654 55.687 1.00 0.00 WT3 H ATOM 45948 H2 TIP3 7962 25.030 60.057 55.797 1.00 0.00 WT3 H ATOM 45949 OH2 TIP3 7963 43.717 43.305 0.389 1.00 0.00 WT3 O ATOM 45950 H1 TIP3 7963 43.560 44.018 1.008 1.00 0.00 WT3 H ATOM 45951 H2 TIP3 7963 43.066 42.641 0.618 1.00 0.00 WT3 H ATOM 45952 OH2 TIP3 7964 89.018 10.111 0.802 1.00 0.00 WT3 O ATOM 45953 H1 TIP3 7964 89.517 10.070 1.618 1.00 0.00 WT3 H ATOM 45954 H2 TIP3 7964 89.626 9.793 0.134 1.00 0.00 WT3 H ATOM 45955 OH2 TIP3 7965 22.264 53.137 -0.501 1.00 0.00 WT3 O ATOM 45956 H1 TIP3 7965 22.731 53.582 -1.208 1.00 0.00 WT3 H ATOM 45957 H2 TIP3 7965 21.355 53.102 -0.798 1.00 0.00 WT3 H ATOM 45958 OH2 TIP3 7966 76.294 44.282 18.925 1.00 0.00 WT3 O ATOM 45959 H1 TIP3 7966 76.581 44.884 19.612 1.00 0.00 WT3 H ATOM 45960 H2 TIP3 7966 76.539 43.415 19.249 1.00 0.00 WT3 H ATOM 45961 OH2 TIP3 7967 53.749 93.618 40.376 1.00 0.00 WT3 O ATOM 45962 H1 TIP3 7967 54.311 93.842 39.633 1.00 0.00 WT3 H ATOM 45963 H2 TIP3 7967 53.163 92.942 40.038 1.00 0.00 WT3 H ATOM 45964 OH2 TIP3 7969 52.811 1.419 24.970 1.00 0.00 WT3 O ATOM 45965 H1 TIP3 7969 52.077 1.678 25.527 1.00 0.00 WT3 H ATOM 45966 H2 TIP3 7969 52.400 1.071 24.179 1.00 0.00 WT3 H ATOM 45967 OH2 TIP3 7970 80.404 79.616 19.700 1.00 0.00 WT3 O ATOM 45968 H1 TIP3 7970 81.251 79.477 20.124 1.00 0.00 WT3 H ATOM 45969 H2 TIP3 7970 79.761 79.429 20.384 1.00 0.00 WT3 H ATOM 45970 OH2 TIP3 7973 88.144 84.322 60.741 1.00 0.00 WT3 O ATOM 45971 H1 TIP3 7973 87.999 83.549 60.195 1.00 0.00 WT3 H ATOM 45972 H2 TIP3 7973 88.990 84.165 61.160 1.00 0.00 WT3 H ATOM 45973 OH2 TIP3 7974 20.783 6.981 -15.830 1.00 0.00 WT3 O ATOM 45974 H1 TIP3 7974 20.864 7.017 -16.783 1.00 0.00 WT3 H ATOM 45975 H2 TIP3 7974 19.962 7.436 -15.642 1.00 0.00 WT3 H ATOM 45976 OH2 TIP3 7976 68.269 78.458 10.342 1.00 0.00 WT3 O ATOM 45977 H1 TIP3 7976 67.415 78.501 10.771 1.00 0.00 WT3 H ATOM 45978 H2 TIP3 7976 68.377 77.534 10.116 1.00 0.00 WT3 H ATOM 45979 OH2 TIP3 7978 62.788 68.518 60.944 1.00 0.00 WT3 O ATOM 45980 H1 TIP3 7978 63.440 68.736 60.278 1.00 0.00 WT3 H ATOM 45981 H2 TIP3 7978 62.120 68.020 60.471 1.00 0.00 WT3 H ATOM 45982 OH2 TIP3 7980 49.022 69.003 9.123 1.00 0.00 WT3 O ATOM 45983 H1 TIP3 7980 49.762 69.152 9.711 1.00 0.00 WT3 H ATOM 45984 H2 TIP3 7980 48.250 69.206 9.651 1.00 0.00 WT3 H ATOM 45985 OH2 TIP3 7981 43.465 70.642 60.379 1.00 0.00 WT3 O ATOM 45986 H1 TIP3 7981 43.770 71.458 60.775 1.00 0.00 WT3 H ATOM 45987 H2 TIP3 7981 42.519 70.759 60.285 1.00 0.00 WT3 H ATOM 45988 OH2 TIP3 7982 42.212 86.019 -19.516 1.00 0.00 WT3 O ATOM 45989 H1 TIP3 7982 41.795 86.615 -20.140 1.00 0.00 WT3 H ATOM 45990 H2 TIP3 7982 41.486 85.662 -19.004 1.00 0.00 WT3 H ATOM 45991 OH2 TIP3 7983 33.649 21.616 32.062 1.00 0.00 WT3 O ATOM 45992 H1 TIP3 7983 33.191 21.059 31.433 1.00 0.00 WT3 H ATOM 45993 H2 TIP3 7983 34.282 22.104 31.535 1.00 0.00 WT3 H ATOM 45994 OH2 TIP3 7984 72.581 86.229 -14.486 1.00 0.00 WT3 O ATOM 45995 H1 TIP3 7984 72.557 85.273 -14.525 1.00 0.00 WT3 H ATOM 45996 H2 TIP3 7984 72.079 86.513 -15.249 1.00 0.00 WT3 H ATOM 45997 OH2 TIP3 7985 67.390 77.869 51.720 1.00 0.00 WT3 O ATOM 45998 H1 TIP3 7985 67.295 77.052 52.210 1.00 0.00 WT3 H ATOM 45999 H2 TIP3 7985 67.056 77.666 50.847 1.00 0.00 WT3 H ATOM 46000 OH2 TIP3 7986 90.658 69.333 49.068 1.00 0.00 WT3 O ATOM 46001 H1 TIP3 7986 89.828 69.418 48.599 1.00 0.00 WT3 H ATOM 46002 H2 TIP3 7986 91.320 69.617 48.438 1.00 0.00 WT3 H ATOM 46003 OH2 TIP3 7987 27.816 64.179 -11.560 1.00 0.00 WT3 O ATOM 46004 H1 TIP3 7987 27.927 64.797 -12.282 1.00 0.00 WT3 H ATOM 46005 H2 TIP3 7987 27.168 63.551 -11.879 1.00 0.00 WT3 H ATOM 46006 OH2 TIP3 7988 58.684 4.894 -5.364 1.00 0.00 WT3 O ATOM 46007 H1 TIP3 7988 57.867 4.440 -5.567 1.00 0.00 WT3 H ATOM 46008 H2 TIP3 7988 58.796 4.776 -4.420 1.00 0.00 WT3 H ATOM 46009 OH2 TIP3 7989 76.654 35.013 -7.213 1.00 0.00 WT3 O ATOM 46010 H1 TIP3 7989 75.934 35.347 -6.679 1.00 0.00 WT3 H ATOM 46011 H2 TIP3 7989 76.948 34.225 -6.755 1.00 0.00 WT3 H ATOM 46012 OH2 TIP3 7990 86.672 22.274 6.024 1.00 0.00 WT3 O ATOM 46013 H1 TIP3 7990 87.474 22.744 5.795 1.00 0.00 WT3 H ATOM 46014 H2 TIP3 7990 86.227 22.137 5.188 1.00 0.00 WT3 H ATOM 46015 OH2 TIP3 7991 42.358 89.801 9.866 1.00 0.00 WT3 O ATOM 46016 H1 TIP3 7991 42.055 88.997 10.286 1.00 0.00 WT3 H ATOM 46017 H2 TIP3 7991 42.675 90.345 10.587 1.00 0.00 WT3 H ATOM 46018 OH2 TIP3 7992 26.069 36.563 64.210 1.00 0.00 WT3 O ATOM 46019 H1 TIP3 7992 25.833 36.519 65.137 1.00 0.00 WT3 H ATOM 46020 H2 TIP3 7992 26.897 37.042 64.196 1.00 0.00 WT3 H ATOM 46021 OH2 TIP3 7993 45.240 58.607 63.685 1.00 0.00 WT3 O ATOM 46022 H1 TIP3 7993 45.990 59.061 64.068 1.00 0.00 WT3 H ATOM 46023 H2 TIP3 7993 45.519 57.693 63.623 1.00 0.00 WT3 H ATOM 46024 OH2 TIP3 7995 82.326 68.546 40.291 1.00 0.00 WT3 O ATOM 46025 H1 TIP3 7995 83.131 68.088 40.532 1.00 0.00 WT3 H ATOM 46026 H2 TIP3 7995 81.777 67.872 39.891 1.00 0.00 WT3 H ATOM 46027 OH2 TIP3 7996 85.683 96.341 4.695 1.00 0.00 WT3 O ATOM 46028 H1 TIP3 7996 86.331 95.994 4.082 1.00 0.00 WT3 H ATOM 46029 H2 TIP3 7996 84.843 96.030 4.358 1.00 0.00 WT3 H ATOM 46030 OH2 TIP3 7997 82.589 56.229 32.749 1.00 0.00 WT3 O ATOM 46031 H1 TIP3 7997 83.438 55.798 32.650 1.00 0.00 WT3 H ATOM 46032 H2 TIP3 7997 82.350 56.496 31.862 1.00 0.00 WT3 H ATOM 46033 OH2 TIP3 7999 72.813 65.648 -17.487 1.00 0.00 WT3 O ATOM 46034 H1 TIP3 7999 72.793 66.148 -18.303 1.00 0.00 WT3 H ATOM 46035 H2 TIP3 7999 73.670 65.842 -17.107 1.00 0.00 WT3 H ATOM 46036 OH2 TIP3 8001 73.924 84.618 -16.516 1.00 0.00 WT3 O ATOM 46037 H1 TIP3 8001 74.823 84.554 -16.196 1.00 0.00 WT3 H ATOM 46038 H2 TIP3 8001 73.943 85.342 -17.142 1.00 0.00 WT3 H ATOM 46039 OH2 TIP3 8002 81.984 44.178 -1.571 1.00 0.00 WT3 O ATOM 46040 H1 TIP3 8002 81.758 44.704 -2.338 1.00 0.00 WT3 H ATOM 46041 H2 TIP3 8002 81.145 43.993 -1.150 1.00 0.00 WT3 H ATOM 46042 OH2 TIP3 8003 49.632 86.707 18.688 1.00 0.00 WT3 O ATOM 46043 H1 TIP3 8003 48.889 86.720 19.292 1.00 0.00 WT3 H ATOM 46044 H2 TIP3 8003 50.053 85.862 18.844 1.00 0.00 WT3 H ATOM 46045 OH2 TIP3 8004 72.633 94.822 62.879 1.00 0.00 WT3 O ATOM 46046 H1 TIP3 8004 72.459 95.639 63.345 1.00 0.00 WT3 H ATOM 46047 H2 TIP3 8004 73.536 94.907 62.573 1.00 0.00 WT3 H ATOM 46048 OH2 TIP3 8005 47.692 95.576 22.613 1.00 0.00 WT3 O ATOM 46049 H1 TIP3 8005 48.094 96.444 22.645 1.00 0.00 WT3 H ATOM 46050 H2 TIP3 8005 47.426 95.468 21.700 1.00 0.00 WT3 H ATOM 46051 OH2 TIP3 8006 28.657 60.137 23.753 1.00 0.00 WT3 O ATOM 46052 H1 TIP3 8006 28.576 60.409 22.839 1.00 0.00 WT3 H ATOM 46053 H2 TIP3 8006 29.444 60.583 24.067 1.00 0.00 WT3 H ATOM 46054 OH2 TIP3 8007 62.523 48.358 13.151 1.00 0.00 WT3 O ATOM 46055 H1 TIP3 8007 62.567 48.808 13.995 1.00 0.00 WT3 H ATOM 46056 H2 TIP3 8007 61.664 47.935 13.150 1.00 0.00 WT3 H ATOM 46057 OH2 TIP3 8008 53.654 67.796 54.221 1.00 0.00 WT3 O ATOM 46058 H1 TIP3 8008 54.048 68.051 53.387 1.00 0.00 WT3 H ATOM 46059 H2 TIP3 8008 52.745 67.588 54.004 1.00 0.00 WT3 H ATOM 46060 OH2 TIP3 8009 88.215 43.013 19.234 1.00 0.00 WT3 O ATOM 46061 H1 TIP3 8009 88.482 42.142 19.528 1.00 0.00 WT3 H ATOM 46062 H2 TIP3 8009 89.031 43.509 19.180 1.00 0.00 WT3 H ATOM 46063 OH2 TIP3 8011 64.720 1.850 60.205 1.00 0.00 WT3 O ATOM 46064 H1 TIP3 8011 64.864 2.360 59.407 1.00 0.00 WT3 H ATOM 46065 H2 TIP3 8011 64.951 0.954 59.962 1.00 0.00 WT3 H ATOM 46066 OH2 TIP3 8013 71.565 58.392 41.530 1.00 0.00 WT3 O ATOM 46067 H1 TIP3 8013 70.681 58.669 41.769 1.00 0.00 WT3 H ATOM 46068 H2 TIP3 8013 71.453 57.507 41.181 1.00 0.00 WT3 H ATOM 46069 OH2 TIP3 8014 22.089 46.715 -12.490 1.00 0.00 WT3 O ATOM 46070 H1 TIP3 8014 22.269 45.782 -12.609 1.00 0.00 WT3 H ATOM 46071 H2 TIP3 8014 21.260 46.740 -12.012 1.00 0.00 WT3 H ATOM 46072 OH2 TIP3 8016 24.678 88.123 -1.569 1.00 0.00 WT3 O ATOM 46073 H1 TIP3 8016 24.459 87.226 -1.315 1.00 0.00 WT3 H ATOM 46074 H2 TIP3 8016 25.530 88.286 -1.165 1.00 0.00 WT3 H ATOM 46075 OH2 TIP3 8017 26.068 31.345 12.632 1.00 0.00 WT3 O ATOM 46076 H1 TIP3 8017 25.935 31.652 13.529 1.00 0.00 WT3 H ATOM 46077 H2 TIP3 8017 26.399 30.453 12.731 1.00 0.00 WT3 H ATOM 46078 OH2 TIP3 8018 67.295 66.737 -19.469 1.00 0.00 WT3 O ATOM 46079 H1 TIP3 8018 66.919 67.604 -19.317 1.00 0.00 WT3 H ATOM 46080 H2 TIP3 8018 66.546 66.142 -19.433 1.00 0.00 WT3 H ATOM 46081 OH2 TIP3 8019 20.452 73.802 3.321 1.00 0.00 WT3 O ATOM 46082 H1 TIP3 8019 20.756 72.966 2.966 1.00 0.00 WT3 H ATOM 46083 H2 TIP3 8019 20.770 74.456 2.698 1.00 0.00 WT3 H ATOM 46084 OH2 TIP3 8022 69.558 52.769 12.563 1.00 0.00 WT3 O ATOM 46085 H1 TIP3 8022 68.680 52.501 12.835 1.00 0.00 WT3 H ATOM 46086 H2 TIP3 8022 69.841 52.086 11.957 1.00 0.00 WT3 H ATOM 46087 OH2 TIP3 8023 31.307 91.321 -7.173 1.00 0.00 WT3 O ATOM 46088 H1 TIP3 8023 30.402 91.391 -7.477 1.00 0.00 WT3 H ATOM 46089 H2 TIP3 8023 31.540 90.404 -7.322 1.00 0.00 WT3 H ATOM 46090 OH2 TIP3 8024 38.688 58.457 7.646 1.00 0.00 WT3 O ATOM 46091 H1 TIP3 8024 39.289 57.954 8.196 1.00 0.00 WT3 H ATOM 46092 H2 TIP3 8024 38.264 57.802 7.091 1.00 0.00 WT3 H ATOM 46093 OH2 TIP3 8025 90.015 71.247 42.143 1.00 0.00 WT3 O ATOM 46094 H1 TIP3 8025 90.601 71.107 41.399 1.00 0.00 WT3 H ATOM 46095 H2 TIP3 8025 89.159 70.952 41.833 1.00 0.00 WT3 H ATOM 46096 OH2 TIP3 8026 24.606 39.498 42.955 1.00 0.00 WT3 O ATOM 46097 H1 TIP3 8026 24.382 39.467 42.025 1.00 0.00 WT3 H ATOM 46098 H2 TIP3 8026 23.880 39.053 43.392 1.00 0.00 WT3 H ATOM 46099 OH2 TIP3 8027 79.939 24.454 63.824 1.00 0.00 WT3 O ATOM 46100 H1 TIP3 8027 80.133 25.366 64.042 1.00 0.00 WT3 H ATOM 46101 H2 TIP3 8027 80.521 24.254 63.090 1.00 0.00 WT3 H ATOM 46102 OH2 TIP3 8028 66.845 44.568 32.737 1.00 0.00 WT3 O ATOM 46103 H1 TIP3 8028 67.712 44.183 32.615 1.00 0.00 WT3 H ATOM 46104 H2 TIP3 8028 66.296 44.138 32.081 1.00 0.00 WT3 H ATOM 46105 OH2 TIP3 8029 69.893 53.654 -15.878 1.00 0.00 WT3 O ATOM 46106 H1 TIP3 8029 70.817 53.718 -15.635 1.00 0.00 WT3 H ATOM 46107 H2 TIP3 8029 69.478 53.224 -15.131 1.00 0.00 WT3 H ATOM 46108 OH2 TIP3 8030 69.743 28.430 -16.883 1.00 0.00 WT3 O ATOM 46109 H1 TIP3 8030 70.527 28.967 -16.991 1.00 0.00 WT3 H ATOM 46110 H2 TIP3 8030 69.105 29.015 -16.474 1.00 0.00 WT3 H ATOM 46111 OH2 TIP3 8032 32.542 95.399 42.639 1.00 0.00 WT3 O ATOM 46112 H1 TIP3 8032 31.818 94.840 42.922 1.00 0.00 WT3 H ATOM 46113 H2 TIP3 8032 33.001 95.626 43.447 1.00 0.00 WT3 H ATOM 46114 OH2 TIP3 8034 67.240 72.373 31.565 1.00 0.00 WT3 O ATOM 46115 H1 TIP3 8034 66.970 72.622 30.681 1.00 0.00 WT3 H ATOM 46116 H2 TIP3 8034 66.717 71.596 31.765 1.00 0.00 WT3 H ATOM 46117 OH2 TIP3 8035 39.758 94.032 17.908 1.00 0.00 WT3 O ATOM 46118 H1 TIP3 8035 39.413 94.303 18.759 1.00 0.00 WT3 H ATOM 46119 H2 TIP3 8035 40.530 93.508 18.118 1.00 0.00 WT3 H ATOM 46120 OH2 TIP3 8036 89.604 63.345 13.871 1.00 0.00 WT3 O ATOM 46121 H1 TIP3 8036 89.240 62.922 13.094 1.00 0.00 WT3 H ATOM 46122 H2 TIP3 8036 90.308 62.761 14.155 1.00 0.00 WT3 H ATOM 46123 OH2 TIP3 8037 28.985 51.204 -13.882 1.00 0.00 WT3 O ATOM 46124 H1 TIP3 8037 29.128 51.358 -14.815 1.00 0.00 WT3 H ATOM 46125 H2 TIP3 8037 28.522 51.985 -13.578 1.00 0.00 WT3 H ATOM 46126 OH2 TIP3 8038 20.984 79.699 61.499 1.00 0.00 WT3 O ATOM 46127 H1 TIP3 8038 21.790 79.255 61.762 1.00 0.00 WT3 H ATOM 46128 H2 TIP3 8038 20.288 79.224 61.953 1.00 0.00 WT3 H ATOM 46129 OH2 TIP3 8039 46.400 22.305 30.375 1.00 0.00 WT3 O ATOM 46130 H1 TIP3 8039 45.730 21.726 30.011 1.00 0.00 WT3 H ATOM 46131 H2 TIP3 8039 46.694 22.830 29.630 1.00 0.00 WT3 H ATOM 46132 OH2 TIP3 8040 87.809 60.504 50.466 1.00 0.00 WT3 O ATOM 46133 H1 TIP3 8040 87.769 61.344 50.925 1.00 0.00 WT3 H ATOM 46134 H2 TIP3 8040 88.517 60.028 50.900 1.00 0.00 WT3 H ATOM 46135 OH2 TIP3 8041 53.556 19.274 53.119 1.00 0.00 WT3 O ATOM 46136 H1 TIP3 8041 53.172 18.673 52.481 1.00 0.00 WT3 H ATOM 46137 H2 TIP3 8041 52.932 19.997 53.173 1.00 0.00 WT3 H ATOM 46138 OH2 TIP3 8042 20.119 51.318 9.664 1.00 0.00 WT3 O ATOM 46139 H1 TIP3 8042 20.340 51.848 10.430 1.00 0.00 WT3 H ATOM 46140 H2 TIP3 8042 20.843 51.463 9.055 1.00 0.00 WT3 H ATOM 46141 OH2 TIP3 8043 81.500 3.893 -4.351 1.00 0.00 WT3 O ATOM 46142 H1 TIP3 8043 80.802 4.327 -4.841 1.00 0.00 WT3 H ATOM 46143 H2 TIP3 8043 81.147 3.795 -3.467 1.00 0.00 WT3 H ATOM 46144 OH2 TIP3 8045 72.729 35.134 30.819 1.00 0.00 WT3 O ATOM 46145 H1 TIP3 8045 73.665 35.331 30.840 1.00 0.00 WT3 H ATOM 46146 H2 TIP3 8045 72.450 35.194 31.733 1.00 0.00 WT3 H ATOM 46147 OH2 TIP3 8046 61.046 85.273 1.964 1.00 0.00 WT3 O ATOM 46148 H1 TIP3 8046 61.659 85.751 2.522 1.00 0.00 WT3 H ATOM 46149 H2 TIP3 8046 60.653 84.620 2.543 1.00 0.00 WT3 H ATOM 46150 OH2 TIP3 8047 85.788 30.760 -18.159 1.00 0.00 WT3 O ATOM 46151 H1 TIP3 8047 85.149 30.880 -17.458 1.00 0.00 WT3 H ATOM 46152 H2 TIP3 8047 86.568 31.224 -17.855 1.00 0.00 WT3 H ATOM 46153 OH2 TIP3 8049 80.832 55.484 19.226 1.00 0.00 WT3 O ATOM 46154 H1 TIP3 8049 80.756 56.430 19.105 1.00 0.00 WT3 H ATOM 46155 H2 TIP3 8049 80.745 55.354 20.171 1.00 0.00 WT3 H ATOM 46156 OH2 TIP3 8051 51.693 42.276 -13.266 1.00 0.00 WT3 O ATOM 46157 H1 TIP3 8051 51.831 41.555 -12.652 1.00 0.00 WT3 H ATOM 46158 H2 TIP3 8051 52.356 42.924 -13.028 1.00 0.00 WT3 H ATOM 46159 OH2 TIP3 8052 46.649 6.657 12.536 1.00 0.00 WT3 O ATOM 46160 H1 TIP3 8052 45.888 7.224 12.666 1.00 0.00 WT3 H ATOM 46161 H2 TIP3 8052 47.341 7.248 12.240 1.00 0.00 WT3 H ATOM 46162 OH2 TIP3 8053 62.097 91.600 4.176 1.00 0.00 WT3 O ATOM 46163 H1 TIP3 8053 62.266 92.280 4.828 1.00 0.00 WT3 H ATOM 46164 H2 TIP3 8053 61.145 91.502 4.173 1.00 0.00 WT3 H ATOM 46165 OH2 TIP3 8054 50.730 78.530 44.028 1.00 0.00 WT3 O ATOM 46166 H1 TIP3 8054 50.587 77.790 44.619 1.00 0.00 WT3 H ATOM 46167 H2 TIP3 8054 51.426 78.236 43.441 1.00 0.00 WT3 H ATOM 46168 OH2 TIP3 8055 37.817 30.694 33.688 1.00 0.00 WT3 O ATOM 46169 H1 TIP3 8055 37.280 31.486 33.666 1.00 0.00 WT3 H ATOM 46170 H2 TIP3 8055 38.522 30.865 33.064 1.00 0.00 WT3 H ATOM 46171 OH2 TIP3 8056 83.669 75.632 -4.706 1.00 0.00 WT3 O ATOM 46172 H1 TIP3 8056 83.205 75.836 -3.893 1.00 0.00 WT3 H ATOM 46173 H2 TIP3 8056 84.119 74.807 -4.524 1.00 0.00 WT3 H ATOM 46174 OH2 TIP3 8057 38.445 86.719 -6.796 1.00 0.00 WT3 O ATOM 46175 H1 TIP3 8057 37.975 87.298 -7.394 1.00 0.00 WT3 H ATOM 46176 H2 TIP3 8057 39.180 86.387 -7.312 1.00 0.00 WT3 H ATOM 46177 OH2 TIP3 8058 72.733 96.459 13.057 1.00 0.00 WT3 O ATOM 46178 H1 TIP3 8058 72.007 95.910 13.352 1.00 0.00 WT3 H ATOM 46179 H2 TIP3 8058 73.484 95.867 13.023 1.00 0.00 WT3 H ATOM 46180 OH2 TIP3 8059 42.387 82.786 42.488 1.00 0.00 WT3 O ATOM 46181 H1 TIP3 8059 42.443 81.938 42.929 1.00 0.00 WT3 H ATOM 46182 H2 TIP3 8059 43.287 83.109 42.475 1.00 0.00 WT3 H ATOM 46183 OH2 TIP3 8060 82.443 60.148 50.400 1.00 0.00 WT3 O ATOM 46184 H1 TIP3 8060 83.310 60.553 50.381 1.00 0.00 WT3 H ATOM 46185 H2 TIP3 8060 82.616 59.209 50.336 1.00 0.00 WT3 H ATOM 46186 OH2 TIP3 8061 55.876 22.338 -5.220 1.00 0.00 WT3 O ATOM 46187 H1 TIP3 8061 55.253 21.677 -5.521 1.00 0.00 WT3 H ATOM 46188 H2 TIP3 8061 56.368 21.903 -4.523 1.00 0.00 WT3 H ATOM 46189 OH2 TIP3 8062 49.871 68.270 59.523 1.00 0.00 WT3 O ATOM 46190 H1 TIP3 8062 50.192 69.113 59.842 1.00 0.00 WT3 H ATOM 46191 H2 TIP3 8062 50.485 68.026 58.830 1.00 0.00 WT3 H ATOM 46192 OH2 TIP3 8063 87.693 25.922 57.318 1.00 0.00 WT3 O ATOM 46193 H1 TIP3 8063 88.248 26.631 57.643 1.00 0.00 WT3 H ATOM 46194 H2 TIP3 8063 86.899 26.360 57.012 1.00 0.00 WT3 H ATOM 46195 OH2 TIP3 8064 81.950 59.356 -2.465 1.00 0.00 WT3 O ATOM 46196 H1 TIP3 8064 81.478 59.062 -1.686 1.00 0.00 WT3 H ATOM 46197 H2 TIP3 8064 82.035 60.303 -2.351 1.00 0.00 WT3 H ATOM 46198 OH2 TIP3 8065 36.724 22.978 21.106 1.00 0.00 WT3 O ATOM 46199 H1 TIP3 8065 37.136 23.693 20.620 1.00 0.00 WT3 H ATOM 46200 H2 TIP3 8065 36.996 22.186 20.643 1.00 0.00 WT3 H ATOM 46201 OH2 TIP3 8066 69.075 65.647 43.157 1.00 0.00 WT3 O ATOM 46202 H1 TIP3 8066 68.408 66.122 42.661 1.00 0.00 WT3 H ATOM 46203 H2 TIP3 8066 69.787 65.510 42.532 1.00 0.00 WT3 H ATOM 46204 OH2 TIP3 8067 23.319 54.727 -5.456 1.00 0.00 WT3 O ATOM 46205 H1 TIP3 8067 23.198 55.657 -5.267 1.00 0.00 WT3 H ATOM 46206 H2 TIP3 8067 22.623 54.516 -6.078 1.00 0.00 WT3 H ATOM 46207 OH2 TIP3 8068 66.650 93.461 0.782 1.00 0.00 WT3 O ATOM 46208 H1 TIP3 8068 66.071 92.752 1.061 1.00 0.00 WT3 H ATOM 46209 H2 TIP3 8068 66.061 94.187 0.580 1.00 0.00 WT3 H ATOM 46210 OH2 TIP3 8069 75.857 30.854 -19.051 1.00 0.00 WT3 O ATOM 46211 H1 TIP3 8069 76.107 31.509 -19.703 1.00 0.00 WT3 H ATOM 46212 H2 TIP3 8069 75.839 30.028 -19.535 1.00 0.00 WT3 H ATOM 46213 OH2 TIP3 8070 55.833 30.724 7.353 1.00 0.00 WT3 O ATOM 46214 H1 TIP3 8070 55.908 29.800 7.594 1.00 0.00 WT3 H ATOM 46215 H2 TIP3 8070 56.507 31.163 7.872 1.00 0.00 WT3 H ATOM 46216 OH2 TIP3 8071 88.360 74.868 41.771 1.00 0.00 WT3 O ATOM 46217 H1 TIP3 8071 88.601 75.639 41.257 1.00 0.00 WT3 H ATOM 46218 H2 TIP3 8071 88.291 74.163 41.128 1.00 0.00 WT3 H ATOM 46219 OH2 TIP3 8073 79.304 63.272 -17.217 1.00 0.00 WT3 O ATOM 46220 H1 TIP3 8073 79.230 64.137 -16.816 1.00 0.00 WT3 H ATOM 46221 H2 TIP3 8073 80.183 63.258 -17.597 1.00 0.00 WT3 H ATOM 46222 OH2 TIP3 8074 37.692 21.006 65.438 1.00 0.00 WT3 O ATOM 46223 H1 TIP3 8074 37.064 20.784 66.125 1.00 0.00 WT3 H ATOM 46224 H2 TIP3 8074 38.277 20.249 65.394 1.00 0.00 WT3 H ATOM 46225 OH2 TIP3 8075 37.191 11.398 24.045 1.00 0.00 WT3 O ATOM 46226 H1 TIP3 8075 36.920 11.444 24.962 1.00 0.00 WT3 H ATOM 46227 H2 TIP3 8075 37.074 12.289 23.715 1.00 0.00 WT3 H ATOM 46228 OH2 TIP3 8076 60.690 72.339 -14.821 1.00 0.00 WT3 O ATOM 46229 H1 TIP3 8076 59.827 71.950 -14.677 1.00 0.00 WT3 H ATOM 46230 H2 TIP3 8076 60.968 72.632 -13.953 1.00 0.00 WT3 H ATOM 46231 OH2 TIP3 8077 66.175 3.080 20.837 1.00 0.00 WT3 O ATOM 46232 H1 TIP3 8077 66.271 2.465 21.565 1.00 0.00 WT3 H ATOM 46233 H2 TIP3 8077 65.627 2.617 20.203 1.00 0.00 WT3 H ATOM 46234 OH2 TIP3 8079 78.269 24.364 5.735 1.00 0.00 WT3 O ATOM 46235 H1 TIP3 8079 77.512 24.689 6.222 1.00 0.00 WT3 H ATOM 46236 H2 TIP3 8079 78.789 23.893 6.386 1.00 0.00 WT3 H ATOM 46237 OH2 TIP3 8080 72.156 0.605 16.761 1.00 0.00 WT3 O ATOM 46238 H1 TIP3 8080 72.847 1.255 16.630 1.00 0.00 WT3 H ATOM 46239 H2 TIP3 8080 72.486 -0.185 16.333 1.00 0.00 WT3 H ATOM 46240 OH2 TIP3 8081 75.978 69.965 -17.174 1.00 0.00 WT3 O ATOM 46241 H1 TIP3 8081 76.580 69.244 -17.361 1.00 0.00 WT3 H ATOM 46242 H2 TIP3 8081 76.230 70.267 -16.301 1.00 0.00 WT3 H ATOM 46243 OH2 TIP3 8082 64.279 6.916 26.218 1.00 0.00 WT3 O ATOM 46244 H1 TIP3 8082 63.760 6.907 25.414 1.00 0.00 WT3 H ATOM 46245 H2 TIP3 8082 64.183 6.033 26.575 1.00 0.00 WT3 H ATOM 46246 OH2 TIP3 8083 36.798 89.637 27.746 1.00 0.00 WT3 O ATOM 46247 H1 TIP3 8083 37.754 89.696 27.765 1.00 0.00 WT3 H ATOM 46248 H2 TIP3 8083 36.609 88.727 27.972 1.00 0.00 WT3 H ATOM 46249 OH2 TIP3 8084 71.170 22.492 4.571 1.00 0.00 WT3 O ATOM 46250 H1 TIP3 8084 71.399 23.021 3.807 1.00 0.00 WT3 H ATOM 46251 H2 TIP3 8084 70.217 22.553 4.628 1.00 0.00 WT3 H ATOM 46252 OH2 TIP3 8085 42.004 1.370 59.926 1.00 0.00 WT3 O ATOM 46253 H1 TIP3 8085 41.390 1.388 59.192 1.00 0.00 WT3 H ATOM 46254 H2 TIP3 8085 42.093 0.441 60.142 1.00 0.00 WT3 H ATOM 46255 OH2 TIP3 8086 45.924 79.404 -11.432 1.00 0.00 WT3 O ATOM 46256 H1 TIP3 8086 45.270 79.487 -12.126 1.00 0.00 WT3 H ATOM 46257 H2 TIP3 8086 46.748 79.257 -11.896 1.00 0.00 WT3 H ATOM 46258 OH2 TIP3 8087 83.229 65.670 -8.211 1.00 0.00 WT3 O ATOM 46259 H1 TIP3 8087 82.561 65.017 -8.002 1.00 0.00 WT3 H ATOM 46260 H2 TIP3 8087 82.965 66.021 -9.061 1.00 0.00 WT3 H ATOM 46261 OH2 TIP3 8088 62.973 14.439 2.908 1.00 0.00 WT3 O ATOM 46262 H1 TIP3 8088 63.829 14.377 3.331 1.00 0.00 WT3 H ATOM 46263 H2 TIP3 8088 62.841 15.377 2.769 1.00 0.00 WT3 H ATOM 46264 OH2 TIP3 8089 69.601 83.428 39.710 1.00 0.00 WT3 O ATOM 46265 H1 TIP3 8089 70.252 82.847 40.103 1.00 0.00 WT3 H ATOM 46266 H2 TIP3 8089 68.765 83.130 40.070 1.00 0.00 WT3 H ATOM 46267 OH2 TIP3 8090 60.802 58.480 46.281 1.00 0.00 WT3 O ATOM 46268 H1 TIP3 8090 60.112 58.461 46.944 1.00 0.00 WT3 H ATOM 46269 H2 TIP3 8090 60.335 58.548 45.449 1.00 0.00 WT3 H ATOM 46270 OH2 TIP3 8091 79.885 52.600 66.783 1.00 0.00 WT3 O ATOM 46271 H1 TIP3 8091 79.311 53.344 66.965 1.00 0.00 WT3 H ATOM 46272 H2 TIP3 8091 79.297 51.916 66.462 1.00 0.00 WT3 H ATOM 46273 OH2 TIP3 8092 31.242 60.510 63.370 1.00 0.00 WT3 O ATOM 46274 H1 TIP3 8092 30.814 61.270 62.977 1.00 0.00 WT3 H ATOM 46275 H2 TIP3 8092 32.041 60.391 62.856 1.00 0.00 WT3 H ATOM 46276 OH2 TIP3 8093 45.916 35.262 -17.186 1.00 0.00 WT3 O ATOM 46277 H1 TIP3 8093 46.774 35.040 -16.823 1.00 0.00 WT3 H ATOM 46278 H2 TIP3 8093 46.074 36.045 -17.714 1.00 0.00 WT3 H ATOM 46279 OH2 TIP3 8094 77.254 58.237 39.167 1.00 0.00 WT3 O ATOM 46280 H1 TIP3 8094 76.734 58.937 39.562 1.00 0.00 WT3 H ATOM 46281 H2 TIP3 8094 76.618 57.711 38.682 1.00 0.00 WT3 H ATOM 46282 OH2 TIP3 8095 70.507 35.065 32.761 1.00 0.00 WT3 O ATOM 46283 H1 TIP3 8095 70.162 35.743 33.341 1.00 0.00 WT3 H ATOM 46284 H2 TIP3 8095 70.156 35.287 31.898 1.00 0.00 WT3 H ATOM 46285 OH2 TIP3 8096 34.334 79.535 30.918 1.00 0.00 WT3 O ATOM 46286 H1 TIP3 8096 33.722 80.204 30.612 1.00 0.00 WT3 H ATOM 46287 H2 TIP3 8096 34.676 79.139 30.116 1.00 0.00 WT3 H ATOM 46288 OH2 TIP3 8097 77.219 71.733 60.161 1.00 0.00 WT3 O ATOM 46289 H1 TIP3 8097 77.036 71.149 60.897 1.00 0.00 WT3 H ATOM 46290 H2 TIP3 8097 76.608 72.461 60.274 1.00 0.00 WT3 H ATOM 46291 OH2 TIP3 8099 23.230 8.425 45.795 1.00 0.00 WT3 O ATOM 46292 H1 TIP3 8099 22.808 9.097 45.260 1.00 0.00 WT3 H ATOM 46293 H2 TIP3 8099 24.157 8.663 45.791 1.00 0.00 WT3 H ATOM 46294 OH2 TIP3 8100 75.230 79.566 51.626 1.00 0.00 WT3 O ATOM 46295 H1 TIP3 8100 74.814 80.427 51.602 1.00 0.00 WT3 H ATOM 46296 H2 TIP3 8100 74.630 78.996 51.145 1.00 0.00 WT3 H ATOM 46297 OH2 TIP3 8101 57.975 20.766 22.209 1.00 0.00 WT3 O ATOM 46298 H1 TIP3 8101 57.053 20.541 22.088 1.00 0.00 WT3 H ATOM 46299 H2 TIP3 8101 57.963 21.677 22.505 1.00 0.00 WT3 H ATOM 46300 OH2 TIP3 8102 33.613 85.649 27.547 1.00 0.00 WT3 O ATOM 46301 H1 TIP3 8102 33.315 84.842 27.126 1.00 0.00 WT3 H ATOM 46302 H2 TIP3 8102 33.721 85.413 28.468 1.00 0.00 WT3 H ATOM 46303 OH2 TIP3 8103 38.272 29.325 -0.518 1.00 0.00 WT3 O ATOM 46304 H1 TIP3 8103 38.746 30.080 -0.866 1.00 0.00 WT3 H ATOM 46305 H2 TIP3 8103 38.531 28.598 -1.083 1.00 0.00 WT3 H ATOM 46306 OH2 TIP3 8104 44.276 73.902 10.928 1.00 0.00 WT3 O ATOM 46307 H1 TIP3 8104 44.468 73.114 10.419 1.00 0.00 WT3 H ATOM 46308 H2 TIP3 8104 43.858 73.577 11.725 1.00 0.00 WT3 H ATOM 46309 OH2 TIP3 8105 77.711 49.389 -1.913 1.00 0.00 WT3 O ATOM 46310 H1 TIP3 8105 77.578 50.291 -2.205 1.00 0.00 WT3 H ATOM 46311 H2 TIP3 8105 77.035 49.250 -1.250 1.00 0.00 WT3 H ATOM 46312 OH2 TIP3 8106 74.971 78.846 3.725 1.00 0.00 WT3 O ATOM 46313 H1 TIP3 8106 75.344 78.092 4.180 1.00 0.00 WT3 H ATOM 46314 H2 TIP3 8106 75.051 78.630 2.796 1.00 0.00 WT3 H ATOM 46315 OH2 TIP3 8107 89.365 31.159 -0.125 1.00 0.00 WT3 O ATOM 46316 H1 TIP3 8107 89.525 30.614 0.646 1.00 0.00 WT3 H ATOM 46317 H2 TIP3 8107 89.549 30.583 -0.868 1.00 0.00 WT3 H ATOM 46318 OH2 TIP3 8108 77.801 77.697 67.241 1.00 0.00 WT3 O ATOM 46319 H1 TIP3 8108 78.099 77.875 66.349 1.00 0.00 WT3 H ATOM 46320 H2 TIP3 8108 77.688 78.563 67.633 1.00 0.00 WT3 H ATOM 46321 OH2 TIP3 8109 79.503 28.207 11.837 1.00 0.00 WT3 O ATOM 46322 H1 TIP3 8109 78.668 28.313 12.292 1.00 0.00 WT3 H ATOM 46323 H2 TIP3 8109 79.431 27.358 11.400 1.00 0.00 WT3 H ATOM 46324 OH2 TIP3 8110 21.755 49.478 -18.569 1.00 0.00 WT3 O ATOM 46325 H1 TIP3 8110 21.244 49.305 -19.360 1.00 0.00 WT3 H ATOM 46326 H2 TIP3 8110 22.381 48.755 -18.525 1.00 0.00 WT3 H ATOM 46327 OH2 TIP3 8111 62.130 81.004 12.115 1.00 0.00 WT3 O ATOM 46328 H1 TIP3 8111 61.941 80.573 11.281 1.00 0.00 WT3 H ATOM 46329 H2 TIP3 8111 62.156 80.291 12.753 1.00 0.00 WT3 H ATOM 46330 OH2 TIP3 8112 28.529 71.377 52.293 1.00 0.00 WT3 O ATOM 46331 H1 TIP3 8112 28.349 72.088 51.678 1.00 0.00 WT3 H ATOM 46332 H2 TIP3 8112 28.617 71.811 53.142 1.00 0.00 WT3 H ATOM 46333 OH2 TIP3 8113 87.624 66.029 28.977 1.00 0.00 WT3 O ATOM 46334 H1 TIP3 8113 87.316 65.385 29.615 1.00 0.00 WT3 H ATOM 46335 H2 TIP3 8113 88.045 65.507 28.294 1.00 0.00 WT3 H ATOM 46336 OH2 TIP3 8114 81.755 5.914 1.149 1.00 0.00 WT3 O ATOM 46337 H1 TIP3 8114 81.428 6.811 1.087 1.00 0.00 WT3 H ATOM 46338 H2 TIP3 8114 80.970 5.380 1.268 1.00 0.00 WT3 H ATOM 46339 OH2 TIP3 8116 44.957 93.128 -13.622 1.00 0.00 WT3 O ATOM 46340 H1 TIP3 8116 44.162 93.639 -13.772 1.00 0.00 WT3 H ATOM 46341 H2 TIP3 8116 45.290 93.445 -12.782 1.00 0.00 WT3 H ATOM 46342 OH2 TIP3 8117 71.493 78.768 20.143 1.00 0.00 WT3 O ATOM 46343 H1 TIP3 8117 70.583 78.490 20.245 1.00 0.00 WT3 H ATOM 46344 H2 TIP3 8117 71.974 78.263 20.800 1.00 0.00 WT3 H ATOM 46345 OH2 TIP3 8118 84.617 90.353 27.457 1.00 0.00 WT3 O ATOM 46346 H1 TIP3 8118 84.936 89.548 27.050 1.00 0.00 WT3 H ATOM 46347 H2 TIP3 8118 83.699 90.173 27.660 1.00 0.00 WT3 H ATOM 46348 OH2 TIP3 8121 55.397 81.250 20.617 1.00 0.00 WT3 O ATOM 46349 H1 TIP3 8121 55.877 80.630 21.166 1.00 0.00 WT3 H ATOM 46350 H2 TIP3 8121 54.491 80.943 20.642 1.00 0.00 WT3 H ATOM 46351 OH2 TIP3 8122 48.927 94.482 15.923 1.00 0.00 WT3 O ATOM 46352 H1 TIP3 8122 49.675 94.710 15.371 1.00 0.00 WT3 H ATOM 46353 H2 TIP3 8122 49.202 94.718 16.809 1.00 0.00 WT3 H ATOM 46354 OH2 TIP3 8123 87.273 65.704 54.357 1.00 0.00 WT3 O ATOM 46355 H1 TIP3 8123 86.530 65.160 54.095 1.00 0.00 WT3 H ATOM 46356 H2 TIP3 8123 87.383 65.525 55.291 1.00 0.00 WT3 H ATOM 46357 OH2 TIP3 8128 31.237 65.276 7.481 1.00 0.00 WT3 O ATOM 46358 H1 TIP3 8128 31.199 64.447 7.959 1.00 0.00 WT3 H ATOM 46359 H2 TIP3 8128 30.378 65.673 7.621 1.00 0.00 WT3 H ATOM 46360 OH2 TIP3 8129 75.518 83.366 40.917 1.00 0.00 WT3 O ATOM 46361 H1 TIP3 8129 75.480 83.057 40.012 1.00 0.00 WT3 H ATOM 46362 H2 TIP3 8129 74.716 83.032 41.318 1.00 0.00 WT3 H ATOM 46363 OH2 TIP3 8133 35.431 75.975 9.134 1.00 0.00 WT3 O ATOM 46364 H1 TIP3 8133 36.320 76.327 9.102 1.00 0.00 WT3 H ATOM 46365 H2 TIP3 8133 35.494 75.123 8.704 1.00 0.00 WT3 H ATOM 46366 OH2 TIP3 8135 78.690 93.588 -16.251 1.00 0.00 WT3 O ATOM 46367 H1 TIP3 8135 79.011 94.164 -15.557 1.00 0.00 WT3 H ATOM 46368 H2 TIP3 8135 78.354 94.183 -16.921 1.00 0.00 WT3 H ATOM 46369 OH2 TIP3 8137 58.403 66.061 23.461 1.00 0.00 WT3 O ATOM 46370 H1 TIP3 8137 58.869 65.963 22.631 1.00 0.00 WT3 H ATOM 46371 H2 TIP3 8137 57.608 65.537 23.354 1.00 0.00 WT3 H ATOM 46372 OH2 TIP3 8138 21.288 69.247 3.686 1.00 0.00 WT3 O ATOM 46373 H1 TIP3 8138 21.182 68.804 4.528 1.00 0.00 WT3 H ATOM 46374 H2 TIP3 8138 20.515 68.993 3.182 1.00 0.00 WT3 H ATOM 46375 OH2 TIP3 8142 67.422 46.905 0.346 1.00 0.00 WT3 O ATOM 46376 H1 TIP3 8142 67.947 47.191 1.093 1.00 0.00 WT3 H ATOM 46377 H2 TIP3 8142 67.039 47.711 -0.000 1.00 0.00 WT3 H ATOM 46378 OH2 TIP3 8143 82.655 90.885 42.358 1.00 0.00 WT3 O ATOM 46379 H1 TIP3 8143 82.149 90.126 42.067 1.00 0.00 WT3 H ATOM 46380 H2 TIP3 8143 83.539 90.547 42.495 1.00 0.00 WT3 H ATOM 46381 OH2 TIP3 8146 73.773 57.392 -2.351 1.00 0.00 WT3 O ATOM 46382 H1 TIP3 8146 74.312 57.416 -3.142 1.00 0.00 WT3 H ATOM 46383 H2 TIP3 8146 73.990 58.202 -1.889 1.00 0.00 WT3 H ATOM 46384 OH2 TIP3 8147 20.917 23.898 65.607 1.00 0.00 WT3 O ATOM 46385 H1 TIP3 8147 21.667 23.517 66.063 1.00 0.00 WT3 H ATOM 46386 H2 TIP3 8147 20.338 24.198 66.308 1.00 0.00 WT3 H ATOM 46387 OH2 TIP3 8150 90.126 35.567 9.786 1.00 0.00 WT3 O ATOM 46388 H1 TIP3 8150 90.919 35.509 9.253 1.00 0.00 WT3 H ATOM 46389 H2 TIP3 8150 89.442 35.181 9.239 1.00 0.00 WT3 H ATOM 46390 OH2 TIP3 8154 45.031 89.254 21.211 1.00 0.00 WT3 O ATOM 46391 H1 TIP3 8154 44.147 89.263 21.578 1.00 0.00 WT3 H ATOM 46392 H2 TIP3 8154 44.962 89.772 20.409 1.00 0.00 WT3 H ATOM 46393 OH2 TIP3 8155 28.539 57.859 7.853 1.00 0.00 WT3 O ATOM 46394 H1 TIP3 8155 29.009 58.692 7.798 1.00 0.00 WT3 H ATOM 46395 H2 TIP3 8155 28.833 57.472 8.678 1.00 0.00 WT3 H ATOM 46396 OH2 TIP3 8158 82.381 2.888 60.244 1.00 0.00 WT3 O ATOM 46397 H1 TIP3 8158 82.323 2.747 61.189 1.00 0.00 WT3 H ATOM 46398 H2 TIP3 8158 82.096 3.793 60.118 1.00 0.00 WT3 H ATOM 46399 OH2 TIP3 8159 60.672 77.637 -1.894 1.00 0.00 WT3 O ATOM 46400 H1 TIP3 8159 60.900 76.952 -1.265 1.00 0.00 WT3 H ATOM 46401 H2 TIP3 8159 60.995 78.445 -1.495 1.00 0.00 WT3 H ATOM 46402 OH2 TIP3 8170 32.900 67.200 37.384 1.00 0.00 WT3 O ATOM 46403 H1 TIP3 8170 33.689 66.776 37.046 1.00 0.00 WT3 H ATOM 46404 H2 TIP3 8170 32.952 68.098 37.057 1.00 0.00 WT3 H ATOM 46405 OH2 TIP3 8174 87.749 38.951 -12.984 1.00 0.00 WT3 O ATOM 46406 H1 TIP3 8174 88.454 38.642 -13.554 1.00 0.00 WT3 H ATOM 46407 H2 TIP3 8174 86.953 38.835 -13.502 1.00 0.00 WT3 H ATOM 46408 OH2 TIP3 8178 84.840 39.161 37.754 1.00 0.00 WT3 O ATOM 46409 H1 TIP3 8178 84.527 39.705 38.477 1.00 0.00 WT3 H ATOM 46410 H2 TIP3 8178 85.667 39.564 37.490 1.00 0.00 WT3 H ATOM 46411 OH2 TIP3 8180 47.803 88.226 5.828 1.00 0.00 WT3 O ATOM 46412 H1 TIP3 8180 47.919 87.341 6.173 1.00 0.00 WT3 H ATOM 46413 H2 TIP3 8180 48.246 88.791 6.461 1.00 0.00 WT3 H ATOM 46414 OH2 TIP3 8183 89.057 57.517 37.502 1.00 0.00 WT3 O ATOM 46415 H1 TIP3 8183 89.362 56.656 37.791 1.00 0.00 WT3 H ATOM 46416 H2 TIP3 8183 88.373 57.752 38.129 1.00 0.00 WT3 H ATOM 46417 OH2 TIP3 8185 89.459 81.186 15.123 1.00 0.00 WT3 O ATOM 46418 H1 TIP3 8185 90.082 81.018 14.417 1.00 0.00 WT3 H ATOM 46419 H2 TIP3 8185 88.628 81.346 14.677 1.00 0.00 WT3 H ATOM 46420 OH2 TIP3 8201 31.619 23.163 33.057 1.00 0.00 WT3 O ATOM 46421 H1 TIP3 8201 32.074 22.322 33.083 1.00 0.00 WT3 H ATOM 46422 H2 TIP3 8201 30.694 22.933 32.968 1.00 0.00 WT3 H ATOM 46423 OH2 TIP3 8202 51.718 78.968 -18.585 1.00 0.00 WT3 O ATOM 46424 H1 TIP3 8202 52.361 79.675 -18.552 1.00 0.00 WT3 H ATOM 46425 H2 TIP3 8202 51.457 78.924 -19.505 1.00 0.00 WT3 H ATOM 46426 OH2 TIP3 8206 51.185 79.128 28.445 1.00 0.00 WT3 O ATOM 46427 H1 TIP3 8206 51.814 78.814 27.795 1.00 0.00 WT3 H ATOM 46428 H2 TIP3 8206 50.936 78.345 28.936 1.00 0.00 WT3 H ATOM 46429 OH2 TIP3 8219 26.486 28.145 38.647 1.00 0.00 WT3 O ATOM 46430 H1 TIP3 8219 25.962 27.738 39.337 1.00 0.00 WT3 H ATOM 46431 H2 TIP3 8219 25.843 28.544 38.061 1.00 0.00 WT3 H ATOM 46432 OH2 TIP3 8228 83.267 54.196 -0.724 1.00 0.00 WT3 O ATOM 46433 H1 TIP3 8228 82.971 54.385 0.167 1.00 0.00 WT3 H ATOM 46434 H2 TIP3 8228 83.845 54.927 -0.945 1.00 0.00 WT3 H ATOM 46435 OH2 TIP3 8267 24.855 67.337 -1.089 1.00 0.00 WT3 O ATOM 46436 H1 TIP3 8267 24.163 66.695 -1.252 1.00 0.00 WT3 H ATOM 46437 H2 TIP3 8267 25.447 66.902 -0.477 1.00 0.00 WT3 H ATOM 46438 OH2 TIP3 8270 30.243 73.486 -10.397 1.00 0.00 WT3 O ATOM 46439 H1 TIP3 8270 30.123 72.770 -9.773 1.00 0.00 WT3 H ATOM 46440 H2 TIP3 8270 30.757 73.101 -11.107 1.00 0.00 WT3 H ATOM 46441 OH2 TIP3 8290 90.293 41.055 40.386 1.00 0.00 WT3 O ATOM 46442 H1 TIP3 8290 90.504 41.965 40.595 1.00 0.00 WT3 H ATOM 46443 H2 TIP3 8290 89.337 41.035 40.341 1.00 0.00 WT3 H ATOM 46444 OH2 TIP3 8304 61.902 84.459 -9.341 1.00 0.00 WT3 O ATOM 46445 H1 TIP3 8304 61.012 84.126 -9.452 1.00 0.00 WT3 H ATOM 46446 H2 TIP3 8304 62.255 83.957 -8.606 1.00 0.00 WT3 H ATOM 46447 OH2 TIP3 8309 65.309 64.524 43.132 1.00 0.00 WT3 O ATOM 46448 H1 TIP3 8309 65.168 63.944 42.383 1.00 0.00 WT3 H ATOM 46449 H2 TIP3 8309 65.227 65.406 42.770 1.00 0.00 WT3 H ATOM 46450 OH2 TIP3 8319 48.930 83.524 44.835 1.00 0.00 WT3 O ATOM 46451 H1 TIP3 8319 49.591 84.215 44.869 1.00 0.00 WT3 H ATOM 46452 H2 TIP3 8319 49.184 82.914 45.527 1.00 0.00 WT3 H ATOM 46453 OH2 TIP3 8322 28.293 57.070 24.126 1.00 0.00 WT3 O ATOM 46454 H1 TIP3 8322 29.077 56.587 23.866 1.00 0.00 WT3 H ATOM 46455 H2 TIP3 8322 28.448 57.963 23.818 1.00 0.00 WT3 H ATOM 46456 OH2 TIP3 8324 68.345 89.324 12.212 1.00 0.00 WT3 O ATOM 46457 H1 TIP3 8324 68.285 89.966 12.920 1.00 0.00 WT3 H ATOM 46458 H2 TIP3 8324 69.070 89.634 11.669 1.00 0.00 WT3 H ATOM 46459 OH2 TIP3 8327 65.602 9.265 57.914 1.00 0.00 WT3 O ATOM 46460 H1 TIP3 8327 65.234 8.764 58.641 1.00 0.00 WT3 H ATOM 46461 H2 TIP3 8327 64.962 9.957 57.751 1.00 0.00 WT3 H ATOM 46462 OH2 TIP3 8339 66.374 20.276 52.282 1.00 0.00 WT3 O ATOM 46463 H1 TIP3 8339 65.490 20.526 52.014 1.00 0.00 WT3 H ATOM 46464 H2 TIP3 8339 66.854 20.174 51.460 1.00 0.00 WT3 H ATOM 46465 OH2 TIP3 8345 24.389 74.207 10.222 1.00 0.00 WT3 O ATOM 46466 H1 TIP3 8345 25.006 74.322 9.499 1.00 0.00 WT3 H ATOM 46467 H2 TIP3 8345 23.540 74.089 9.797 1.00 0.00 WT3 H ATOM 46468 OH2 TIP3 8348 87.885 69.549 20.467 1.00 0.00 WT3 O ATOM 46469 H1 TIP3 8348 87.457 68.758 20.140 1.00 0.00 WT3 H ATOM 46470 H2 TIP3 8348 87.509 70.258 19.945 1.00 0.00 WT3 H ATOM 46471 OH2 TIP3 8349 37.921 54.891 15.303 1.00 0.00 WT3 O ATOM 46472 H1 TIP3 8349 38.682 54.797 15.876 1.00 0.00 WT3 H ATOM 46473 H2 TIP3 8349 37.215 55.170 15.886 1.00 0.00 WT3 H ATOM 46474 OH2 TIP3 8354 26.312 67.622 9.307 1.00 0.00 WT3 O ATOM 46475 H1 TIP3 8354 26.387 68.455 8.842 1.00 0.00 WT3 H ATOM 46476 H2 TIP3 8354 27.139 67.537 9.782 1.00 0.00 WT3 H ATOM 46477 OH2 TIP3 8355 81.376 75.221 64.811 1.00 0.00 WT3 O ATOM 46478 H1 TIP3 8355 82.190 75.544 64.423 1.00 0.00 WT3 H ATOM 46479 H2 TIP3 8355 81.292 75.708 65.631 1.00 0.00 WT3 H ATOM 46480 OH2 TIP3 8359 52.167 39.216 31.017 1.00 0.00 WT3 O ATOM 46481 H1 TIP3 8359 52.864 39.167 30.363 1.00 0.00 WT3 H ATOM 46482 H2 TIP3 8359 51.378 38.948 30.547 1.00 0.00 WT3 H ATOM 46483 OH2 TIP3 8360 65.798 73.299 59.176 1.00 0.00 WT3 O ATOM 46484 H1 TIP3 8360 65.083 73.888 58.937 1.00 0.00 WT3 H ATOM 46485 H2 TIP3 8360 66.413 73.359 58.444 1.00 0.00 WT3 H ATOM 46486 OH2 TIP3 8364 35.035 59.640 -9.304 1.00 0.00 WT3 O ATOM 46487 H1 TIP3 8364 35.501 58.805 -9.353 1.00 0.00 WT3 H ATOM 46488 H2 TIP3 8364 34.484 59.562 -8.525 1.00 0.00 WT3 H ATOM 46489 OH2 TIP3 8365 88.349 77.926 16.639 1.00 0.00 WT3 O ATOM 46490 H1 TIP3 8365 88.360 78.879 16.724 1.00 0.00 WT3 H ATOM 46491 H2 TIP3 8365 88.961 77.742 15.926 1.00 0.00 WT3 H ATOM 46492 OH2 TIP3 8369 29.547 41.516 56.365 1.00 0.00 WT3 O ATOM 46493 H1 TIP3 8369 29.853 40.736 55.901 1.00 0.00 WT3 H ATOM 46494 H2 TIP3 8369 28.970 41.955 55.740 1.00 0.00 WT3 H ATOM 46495 OH2 TIP3 8370 72.297 5.867 13.477 1.00 0.00 WT3 O ATOM 46496 H1 TIP3 8370 72.797 5.806 12.663 1.00 0.00 WT3 H ATOM 46497 H2 TIP3 8370 72.692 5.212 14.052 1.00 0.00 WT3 H ATOM 46498 OH2 TIP3 8372 27.673 19.112 47.020 1.00 0.00 WT3 O ATOM 46499 H1 TIP3 8372 27.045 19.581 46.471 1.00 0.00 WT3 H ATOM 46500 H2 TIP3 8372 27.928 19.746 47.690 1.00 0.00 WT3 H ATOM 46501 OH2 TIP3 8375 25.515 77.846 61.523 1.00 0.00 WT3 O ATOM 46502 H1 TIP3 8375 25.008 77.128 61.144 1.00 0.00 WT3 H ATOM 46503 H2 TIP3 8375 25.641 78.460 60.798 1.00 0.00 WT3 H ATOM 46504 OH2 TIP3 8376 79.412 69.092 14.240 1.00 0.00 WT3 O ATOM 46505 H1 TIP3 8376 79.458 68.138 14.303 1.00 0.00 WT3 H ATOM 46506 H2 TIP3 8376 80.257 69.350 13.873 1.00 0.00 WT3 H ATOM 46507 OH2 TIP3 8377 64.157 17.159 56.366 1.00 0.00 WT3 O ATOM 46508 H1 TIP3 8377 63.266 16.848 56.205 1.00 0.00 WT3 H ATOM 46509 H2 TIP3 8377 64.644 16.375 56.618 1.00 0.00 WT3 H ATOM 46510 OH2 TIP3 8378 70.434 44.898 -9.339 1.00 0.00 WT3 O ATOM 46511 H1 TIP3 8378 69.893 45.597 -8.973 1.00 0.00 WT3 H ATOM 46512 H2 TIP3 8378 69.876 44.121 -9.308 1.00 0.00 WT3 H ATOM 46513 OH2 TIP3 8381 68.110 67.689 14.154 1.00 0.00 WT3 O ATOM 46514 H1 TIP3 8381 68.345 66.882 14.612 1.00 0.00 WT3 H ATOM 46515 H2 TIP3 8381 68.795 67.799 13.495 1.00 0.00 WT3 H ATOM 46516 OH2 TIP3 8382 30.152 78.046 55.034 1.00 0.00 WT3 O ATOM 46517 H1 TIP3 8382 31.093 77.942 55.174 1.00 0.00 WT3 H ATOM 46518 H2 TIP3 8382 30.084 78.529 54.211 1.00 0.00 WT3 H ATOM 46519 OH2 TIP3 8384 36.835 52.676 17.520 1.00 0.00 WT3 O ATOM 46520 H1 TIP3 8384 37.600 52.101 17.498 1.00 0.00 WT3 H ATOM 46521 H2 TIP3 8384 37.146 53.474 17.947 1.00 0.00 WT3 H ATOM 46522 OH2 TIP3 8386 29.091 7.070 -11.496 1.00 0.00 WT3 O ATOM 46523 H1 TIP3 8386 28.292 7.520 -11.221 1.00 0.00 WT3 H ATOM 46524 H2 TIP3 8386 28.940 6.851 -12.415 1.00 0.00 WT3 H ATOM 46525 OH2 TIP3 8388 53.767 87.719 -0.900 1.00 0.00 WT3 O ATOM 46526 H1 TIP3 8388 54.314 87.366 -1.601 1.00 0.00 WT3 H ATOM 46527 H2 TIP3 8388 52.943 87.236 -0.972 1.00 0.00 WT3 H ATOM 46528 OH2 TIP3 8389 88.429 67.545 40.511 1.00 0.00 WT3 O ATOM 46529 H1 TIP3 8389 89.384 67.530 40.438 1.00 0.00 WT3 H ATOM 46530 H2 TIP3 8389 88.190 66.640 40.711 1.00 0.00 WT3 H ATOM 46531 OH2 TIP3 8391 60.222 66.677 48.441 1.00 0.00 WT3 O ATOM 46532 H1 TIP3 8391 60.507 66.157 47.690 1.00 0.00 WT3 H ATOM 46533 H2 TIP3 8391 59.270 66.575 48.457 1.00 0.00 WT3 H ATOM 46534 OH2 TIP3 8392 72.153 80.073 57.324 1.00 0.00 WT3 O ATOM 46535 H1 TIP3 8392 72.023 79.920 58.260 1.00 0.00 WT3 H ATOM 46536 H2 TIP3 8392 72.586 79.280 57.009 1.00 0.00 WT3 H ATOM 46537 OH2 TIP3 8393 65.744 44.644 -0.421 1.00 0.00 WT3 O ATOM 46538 H1 TIP3 8393 66.360 45.338 -0.186 1.00 0.00 WT3 H ATOM 46539 H2 TIP3 8393 66.265 43.841 -0.392 1.00 0.00 WT3 H ATOM 46540 OH2 TIP3 8394 85.628 54.291 17.006 1.00 0.00 WT3 O ATOM 46541 H1 TIP3 8394 85.697 53.721 17.772 1.00 0.00 WT3 H ATOM 46542 H2 TIP3 8394 86.440 54.797 17.008 1.00 0.00 WT3 H ATOM 46543 OH2 TIP3 8396 69.273 71.543 19.855 1.00 0.00 WT3 O ATOM 46544 H1 TIP3 8396 68.321 71.453 19.889 1.00 0.00 WT3 H ATOM 46545 H2 TIP3 8396 69.587 70.680 19.584 1.00 0.00 WT3 H ATOM 46546 OH2 TIP3 8397 56.679 73.961 51.482 1.00 0.00 WT3 O ATOM 46547 H1 TIP3 8397 56.533 74.521 52.245 1.00 0.00 WT3 H ATOM 46548 H2 TIP3 8397 56.575 73.070 51.815 1.00 0.00 WT3 H ATOM 46549 OH2 TIP3 8399 81.932 43.969 59.842 1.00 0.00 WT3 O ATOM 46550 H1 TIP3 8399 81.458 44.543 60.444 1.00 0.00 WT3 H ATOM 46551 H2 TIP3 8399 82.686 44.486 59.560 1.00 0.00 WT3 H ATOM 46552 OH2 TIP3 8401 34.946 34.322 -13.958 1.00 0.00 WT3 O ATOM 46553 H1 TIP3 8401 34.467 35.104 -14.234 1.00 0.00 WT3 H ATOM 46554 H2 TIP3 8401 35.246 33.925 -14.775 1.00 0.00 WT3 H ATOM 46555 OH2 TIP3 8402 88.278 54.354 -5.645 1.00 0.00 WT3 O ATOM 46556 H1 TIP3 8402 88.069 54.650 -4.759 1.00 0.00 WT3 H ATOM 46557 H2 TIP3 8402 87.586 53.729 -5.858 1.00 0.00 WT3 H ATOM 46558 OH2 TIP3 8403 72.829 52.905 35.309 1.00 0.00 WT3 O ATOM 46559 H1 TIP3 8403 71.878 52.801 35.327 1.00 0.00 WT3 H ATOM 46560 H2 TIP3 8403 72.994 53.482 34.563 1.00 0.00 WT3 H ATOM 46561 OH2 TIP3 8404 71.212 83.628 62.855 1.00 0.00 WT3 O ATOM 46562 H1 TIP3 8404 71.987 83.081 62.983 1.00 0.00 WT3 H ATOM 46563 H2 TIP3 8404 71.412 84.440 63.320 1.00 0.00 WT3 H ATOM 46564 OH2 TIP3 8406 63.445 73.620 2.423 1.00 0.00 WT3 O ATOM 46565 H1 TIP3 8406 63.431 72.913 1.778 1.00 0.00 WT3 H ATOM 46566 H2 TIP3 8406 62.927 73.287 3.156 1.00 0.00 WT3 H ATOM 46567 OH2 TIP3 8408 28.472 42.134 -8.582 1.00 0.00 WT3 O ATOM 46568 H1 TIP3 8408 29.204 42.240 -7.975 1.00 0.00 WT3 H ATOM 46569 H2 TIP3 8408 27.725 42.523 -8.128 1.00 0.00 WT3 H ATOM 46570 OH2 TIP3 8409 42.449 96.622 21.161 1.00 0.00 WT3 O ATOM 46571 H1 TIP3 8409 41.925 96.561 20.362 1.00 0.00 WT3 H ATOM 46572 H2 TIP3 8409 43.164 96.000 21.027 1.00 0.00 WT3 H ATOM 46573 OH2 TIP3 8410 29.243 49.705 22.042 1.00 0.00 WT3 O ATOM 46574 H1 TIP3 8410 28.885 49.014 22.600 1.00 0.00 WT3 H ATOM 46575 H2 TIP3 8410 30.089 49.366 21.751 1.00 0.00 WT3 H ATOM 46576 OH2 TIP3 8411 36.613 40.709 24.037 1.00 0.00 WT3 O ATOM 46577 H1 TIP3 8411 36.554 40.703 23.082 1.00 0.00 WT3 H ATOM 46578 H2 TIP3 8411 37.313 41.333 24.231 1.00 0.00 WT3 H ATOM 46579 OH2 TIP3 8412 63.819 23.797 59.841 1.00 0.00 WT3 O ATOM 46580 H1 TIP3 8412 63.063 24.381 59.908 1.00 0.00 WT3 H ATOM 46581 H2 TIP3 8412 63.809 23.495 58.933 1.00 0.00 WT3 H ATOM 46582 OH2 TIP3 8413 49.088 53.191 49.982 1.00 0.00 WT3 O ATOM 46583 H1 TIP3 8413 49.143 54.128 49.795 1.00 0.00 WT3 H ATOM 46584 H2 TIP3 8413 48.477 52.851 49.328 1.00 0.00 WT3 H ATOM 46585 OH2 TIP3 8414 36.600 86.375 33.974 1.00 0.00 WT3 O ATOM 46586 H1 TIP3 8414 36.837 85.954 33.147 1.00 0.00 WT3 H ATOM 46587 H2 TIP3 8414 35.755 85.991 34.205 1.00 0.00 WT3 H ATOM 46588 OH2 TIP3 8415 34.487 34.205 19.081 1.00 0.00 WT3 O ATOM 46589 H1 TIP3 8415 34.537 34.011 20.017 1.00 0.00 WT3 H ATOM 46590 H2 TIP3 8415 35.313 33.877 18.724 1.00 0.00 WT3 H ATOM 46591 OH2 TIP3 8416 84.463 72.747 59.063 1.00 0.00 WT3 O ATOM 46592 H1 TIP3 8416 84.120 73.042 58.219 1.00 0.00 WT3 H ATOM 46593 H2 TIP3 8416 85.344 72.430 58.866 1.00 0.00 WT3 H ATOM 46594 OH2 TIP3 8419 34.096 22.339 21.652 1.00 0.00 WT3 O ATOM 46595 H1 TIP3 8419 34.929 22.604 21.262 1.00 0.00 WT3 H ATOM 46596 H2 TIP3 8419 33.725 23.151 21.999 1.00 0.00 WT3 H ATOM 46597 OH2 TIP3 8420 38.111 90.287 -12.024 1.00 0.00 WT3 O ATOM 46598 H1 TIP3 8420 38.072 90.780 -12.843 1.00 0.00 WT3 H ATOM 46599 H2 TIP3 8420 38.956 90.524 -11.641 1.00 0.00 WT3 H ATOM 46600 OH2 TIP3 8421 90.332 45.013 15.385 1.00 0.00 WT3 O ATOM 46601 H1 TIP3 8421 89.776 45.715 15.723 1.00 0.00 WT3 H ATOM 46602 H2 TIP3 8421 90.719 44.617 16.166 1.00 0.00 WT3 H ATOM 46603 OH2 TIP3 8422 81.888 49.793 26.453 1.00 0.00 WT3 O ATOM 46604 H1 TIP3 8422 80.975 49.582 26.257 1.00 0.00 WT3 H ATOM 46605 H2 TIP3 8422 81.863 50.181 27.328 1.00 0.00 WT3 H ATOM 46606 OH2 TIP3 8423 85.592 64.176 45.245 1.00 0.00 WT3 O ATOM 46607 H1 TIP3 8423 85.186 63.347 44.994 1.00 0.00 WT3 H ATOM 46608 H2 TIP3 8423 84.973 64.845 44.950 1.00 0.00 WT3 H ATOM 46609 OH2 TIP3 8424 55.113 49.639 61.732 1.00 0.00 WT3 O ATOM 46610 H1 TIP3 8424 54.384 49.814 62.328 1.00 0.00 WT3 H ATOM 46611 H2 TIP3 8424 55.364 50.501 61.400 1.00 0.00 WT3 H ATOM 46612 OH2 TIP3 8425 49.544 48.692 57.038 1.00 0.00 WT3 O ATOM 46613 H1 TIP3 8425 50.435 48.856 57.347 1.00 0.00 WT3 H ATOM 46614 H2 TIP3 8425 49.620 48.675 56.084 1.00 0.00 WT3 H ATOM 46615 OH2 TIP3 8426 79.773 32.534 -9.026 1.00 0.00 WT3 O ATOM 46616 H1 TIP3 8426 80.388 33.065 -9.532 1.00 0.00 WT3 H ATOM 46617 H2 TIP3 8426 80.226 32.364 -8.200 1.00 0.00 WT3 H ATOM 46618 OH2 TIP3 8427 71.215 2.514 -14.564 1.00 0.00 WT3 O ATOM 46619 H1 TIP3 8427 71.157 3.236 -13.939 1.00 0.00 WT3 H ATOM 46620 H2 TIP3 8427 71.938 1.975 -14.241 1.00 0.00 WT3 H ATOM 46621 OH2 TIP3 8428 70.050 26.174 0.388 1.00 0.00 WT3 O ATOM 46622 H1 TIP3 8428 70.369 25.541 -0.255 1.00 0.00 WT3 H ATOM 46623 H2 TIP3 8428 69.099 26.168 0.280 1.00 0.00 WT3 H ATOM 46624 OH2 TIP3 8429 82.977 53.417 -3.450 1.00 0.00 WT3 O ATOM 46625 H1 TIP3 8429 83.045 53.439 -2.495 1.00 0.00 WT3 H ATOM 46626 H2 TIP3 8429 82.618 54.273 -3.684 1.00 0.00 WT3 H ATOM 46627 OH2 TIP3 8430 43.017 7.042 40.556 1.00 0.00 WT3 O ATOM 46628 H1 TIP3 8430 43.959 7.172 40.665 1.00 0.00 WT3 H ATOM 46629 H2 TIP3 8430 42.617 7.723 41.097 1.00 0.00 WT3 H ATOM 46630 OH2 TIP3 8431 53.548 80.484 -9.181 1.00 0.00 WT3 O ATOM 46631 H1 TIP3 8431 54.388 80.028 -9.227 1.00 0.00 WT3 H ATOM 46632 H2 TIP3 8431 53.141 80.324 -10.032 1.00 0.00 WT3 H ATOM 46633 OH2 TIP3 8432 74.136 78.699 6.923 1.00 0.00 WT3 O ATOM 46634 H1 TIP3 8432 73.949 78.198 7.717 1.00 0.00 WT3 H ATOM 46635 H2 TIP3 8432 74.784 78.173 6.454 1.00 0.00 WT3 H ATOM 46636 OH2 TIP3 8433 56.871 5.959 49.595 1.00 0.00 WT3 O ATOM 46637 H1 TIP3 8433 56.112 6.252 49.091 1.00 0.00 WT3 H ATOM 46638 H2 TIP3 8433 56.857 6.498 50.386 1.00 0.00 WT3 H ATOM 46639 OH2 TIP3 8434 87.199 34.544 56.203 1.00 0.00 WT3 O ATOM 46640 H1 TIP3 8434 86.910 34.571 57.115 1.00 0.00 WT3 H ATOM 46641 H2 TIP3 8434 88.105 34.237 56.248 1.00 0.00 WT3 H ATOM 46642 OH2 TIP3 8435 69.668 83.649 55.320 1.00 0.00 WT3 O ATOM 46643 H1 TIP3 8435 69.369 83.746 56.224 1.00 0.00 WT3 H ATOM 46644 H2 TIP3 8435 70.263 82.900 55.342 1.00 0.00 WT3 H ATOM 46645 OH2 TIP3 8437 28.178 61.319 49.114 1.00 0.00 WT3 O ATOM 46646 H1 TIP3 8437 27.587 61.806 48.540 1.00 0.00 WT3 H ATOM 46647 H2 TIP3 8437 29.032 61.381 48.685 1.00 0.00 WT3 H ATOM 46648 OH2 TIP3 8438 90.440 8.371 37.499 1.00 0.00 WT3 O ATOM 46649 H1 TIP3 8438 89.660 8.285 36.951 1.00 0.00 WT3 H ATOM 46650 H2 TIP3 8438 91.081 7.783 37.098 1.00 0.00 WT3 H ATOM 46651 OH2 TIP3 8439 73.717 96.160 48.091 1.00 0.00 WT3 O ATOM 46652 H1 TIP3 8439 72.811 96.307 47.818 1.00 0.00 WT3 H ATOM 46653 H2 TIP3 8439 73.654 95.511 48.792 1.00 0.00 WT3 H ATOM 46654 OH2 TIP3 8441 62.850 65.018 61.486 1.00 0.00 WT3 O ATOM 46655 H1 TIP3 8441 63.518 65.675 61.681 1.00 0.00 WT3 H ATOM 46656 H2 TIP3 8441 63.170 64.576 60.700 1.00 0.00 WT3 H ATOM 46657 OH2 TIP3 8442 83.389 35.549 -14.098 1.00 0.00 WT3 O ATOM 46658 H1 TIP3 8442 82.662 34.938 -14.221 1.00 0.00 WT3 H ATOM 46659 H2 TIP3 8442 83.056 36.387 -14.419 1.00 0.00 WT3 H ATOM 46660 OH2 TIP3 8443 72.840 76.653 -6.034 1.00 0.00 WT3 O ATOM 46661 H1 TIP3 8443 73.266 75.797 -6.077 1.00 0.00 WT3 H ATOM 46662 H2 TIP3 8443 73.532 77.278 -6.249 1.00 0.00 WT3 H ATOM 46663 OH2 TIP3 8444 31.672 2.072 14.226 1.00 0.00 WT3 O ATOM 46664 H1 TIP3 8444 31.331 2.190 13.339 1.00 0.00 WT3 H ATOM 46665 H2 TIP3 8444 32.342 1.395 14.137 1.00 0.00 WT3 H ATOM 46666 OH2 TIP3 8445 36.275 67.580 7.366 1.00 0.00 WT3 O ATOM 46667 H1 TIP3 8445 36.665 68.403 7.662 1.00 0.00 WT3 H ATOM 46668 H2 TIP3 8445 36.915 66.911 7.609 1.00 0.00 WT3 H ATOM 46669 OH2 TIP3 8446 55.112 67.093 18.675 1.00 0.00 WT3 O ATOM 46670 H1 TIP3 8446 55.615 66.730 17.946 1.00 0.00 WT3 H ATOM 46671 H2 TIP3 8446 54.213 67.133 18.349 1.00 0.00 WT3 H ATOM 46672 OH2 TIP3 8447 51.206 55.893 -13.419 1.00 0.00 WT3 O ATOM 46673 H1 TIP3 8447 51.931 56.127 -14.000 1.00 0.00 WT3 H ATOM 46674 H2 TIP3 8447 50.429 56.245 -13.854 1.00 0.00 WT3 H ATOM 46675 OH2 TIP3 8448 21.221 79.877 -19.397 1.00 0.00 WT3 O ATOM 46676 H1 TIP3 8448 21.986 79.791 -18.828 1.00 0.00 WT3 H ATOM 46677 H2 TIP3 8448 20.505 80.108 -18.804 1.00 0.00 WT3 H ATOM 46678 OH2 TIP3 8450 23.518 64.279 7.414 1.00 0.00 WT3 O ATOM 46679 H1 TIP3 8450 23.860 64.478 8.285 1.00 0.00 WT3 H ATOM 46680 H2 TIP3 8450 23.270 65.130 7.053 1.00 0.00 WT3 H ATOM 46681 OH2 TIP3 8451 46.592 39.270 27.128 1.00 0.00 WT3 O ATOM 46682 H1 TIP3 8451 46.427 39.374 26.191 1.00 0.00 WT3 H ATOM 46683 H2 TIP3 8451 46.914 38.373 27.218 1.00 0.00 WT3 H ATOM 46684 OH2 TIP3 8453 75.232 26.666 -15.203 1.00 0.00 WT3 O ATOM 46685 H1 TIP3 8453 75.265 27.476 -14.694 1.00 0.00 WT3 H ATOM 46686 H2 TIP3 8453 74.849 26.924 -16.041 1.00 0.00 WT3 H ATOM 46687 OH2 TIP3 8455 33.510 80.659 3.848 1.00 0.00 WT3 O ATOM 46688 H1 TIP3 8455 33.656 81.599 3.738 1.00 0.00 WT3 H ATOM 46689 H2 TIP3 8455 33.965 80.257 3.108 1.00 0.00 WT3 H ATOM 46690 OH2 TIP3 8456 66.665 55.294 -7.099 1.00 0.00 WT3 O ATOM 46691 H1 TIP3 8456 66.179 55.942 -6.588 1.00 0.00 WT3 H ATOM 46692 H2 TIP3 8456 66.419 55.470 -8.007 1.00 0.00 WT3 H ATOM 46693 OH2 TIP3 8457 51.000 82.491 -13.345 1.00 0.00 WT3 O ATOM 46694 H1 TIP3 8457 50.218 82.981 -13.091 1.00 0.00 WT3 H ATOM 46695 H2 TIP3 8457 51.411 82.247 -12.515 1.00 0.00 WT3 H ATOM 46696 OH2 TIP3 8458 90.171 86.048 25.849 1.00 0.00 WT3 O ATOM 46697 H1 TIP3 8458 91.068 86.380 25.853 1.00 0.00 WT3 H ATOM 46698 H2 TIP3 8458 89.726 86.549 26.532 1.00 0.00 WT3 H ATOM 46699 OH2 TIP3 8459 73.162 74.797 25.335 1.00 0.00 WT3 O ATOM 46700 H1 TIP3 8459 73.286 75.032 26.254 1.00 0.00 WT3 H ATOM 46701 H2 TIP3 8459 72.547 74.064 25.355 1.00 0.00 WT3 H ATOM 46702 OH2 TIP3 8461 25.736 50.291 -18.617 1.00 0.00 WT3 O ATOM 46703 H1 TIP3 8461 25.876 50.145 -19.552 1.00 0.00 WT3 H ATOM 46704 H2 TIP3 8461 25.662 51.242 -18.531 1.00 0.00 WT3 H ATOM 46705 OH2 TIP3 8462 46.555 32.419 54.726 1.00 0.00 WT3 O ATOM 46706 H1 TIP3 8462 45.678 32.787 54.621 1.00 0.00 WT3 H ATOM 46707 H2 TIP3 8462 46.607 32.184 55.653 1.00 0.00 WT3 H ATOM 46708 OH2 TIP3 8463 83.424 78.510 -7.921 1.00 0.00 WT3 O ATOM 46709 H1 TIP3 8463 83.052 78.945 -7.153 1.00 0.00 WT3 H ATOM 46710 H2 TIP3 8463 84.072 79.130 -8.257 1.00 0.00 WT3 H ATOM 46711 OH2 TIP3 8464 52.172 36.661 -15.872 1.00 0.00 WT3 O ATOM 46712 H1 TIP3 8464 52.003 36.204 -15.048 1.00 0.00 WT3 H ATOM 46713 H2 TIP3 8464 51.654 37.464 -15.811 1.00 0.00 WT3 H ATOM 46714 OH2 TIP3 8465 85.238 46.201 -14.471 1.00 0.00 WT3 O ATOM 46715 H1 TIP3 8465 85.634 46.296 -15.338 1.00 0.00 WT3 H ATOM 46716 H2 TIP3 8465 85.747 46.787 -13.910 1.00 0.00 WT3 H ATOM 46717 OH2 TIP3 8466 64.255 37.782 5.150 1.00 0.00 WT3 O ATOM 46718 H1 TIP3 8466 64.216 37.762 6.106 1.00 0.00 WT3 H ATOM 46719 H2 TIP3 8466 63.464 38.253 4.888 1.00 0.00 WT3 H ATOM 46720 OH2 TIP3 8467 45.121 60.612 47.064 1.00 0.00 WT3 O ATOM 46721 H1 TIP3 8467 45.889 60.060 47.211 1.00 0.00 WT3 H ATOM 46722 H2 TIP3 8467 45.415 61.271 46.434 1.00 0.00 WT3 H ATOM 46723 OH2 TIP3 8468 28.513 84.348 51.415 1.00 0.00 WT3 O ATOM 46724 H1 TIP3 8468 28.197 84.988 52.054 1.00 0.00 WT3 H ATOM 46725 H2 TIP3 8468 28.154 84.647 50.579 1.00 0.00 WT3 H ATOM 46726 OH2 TIP3 8469 65.591 57.359 37.304 1.00 0.00 WT3 O ATOM 46727 H1 TIP3 8469 64.778 56.855 37.354 1.00 0.00 WT3 H ATOM 46728 H2 TIP3 8469 66.165 56.833 36.747 1.00 0.00 WT3 H ATOM 46729 OH2 TIP3 8470 55.997 50.429 -8.871 1.00 0.00 WT3 O ATOM 46730 H1 TIP3 8470 55.165 50.796 -8.574 1.00 0.00 WT3 H ATOM 46731 H2 TIP3 8470 56.162 50.857 -9.711 1.00 0.00 WT3 H ATOM 46732 OH2 TIP3 8472 30.647 82.366 53.118 1.00 0.00 WT3 O ATOM 46733 H1 TIP3 8472 30.325 83.175 52.721 1.00 0.00 WT3 H ATOM 46734 H2 TIP3 8472 30.091 81.679 52.749 1.00 0.00 WT3 H ATOM 46735 OH2 TIP3 8473 70.284 36.117 9.917 1.00 0.00 WT3 O ATOM 46736 H1 TIP3 8473 70.600 36.053 10.818 1.00 0.00 WT3 H ATOM 46737 H2 TIP3 8473 69.330 36.079 9.994 1.00 0.00 WT3 H ATOM 46738 OH2 TIP3 8474 68.803 58.136 48.976 1.00 0.00 WT3 O ATOM 46739 H1 TIP3 8474 68.451 58.805 48.389 1.00 0.00 WT3 H ATOM 46740 H2 TIP3 8474 68.126 57.460 49.003 1.00 0.00 WT3 H ATOM 46741 OH2 TIP3 8475 23.581 52.939 15.736 1.00 0.00 WT3 O ATOM 46742 H1 TIP3 8475 23.964 53.196 14.897 1.00 0.00 WT3 H ATOM 46743 H2 TIP3 8475 24.275 53.097 16.375 1.00 0.00 WT3 H ATOM 46744 OH2 TIP3 8476 80.779 80.998 34.776 1.00 0.00 WT3 O ATOM 46745 H1 TIP3 8476 80.131 80.334 35.010 1.00 0.00 WT3 H ATOM 46746 H2 TIP3 8476 80.455 81.369 33.954 1.00 0.00 WT3 H ATOM 46747 OH2 TIP3 8477 24.254 87.795 12.607 1.00 0.00 WT3 O ATOM 46748 H1 TIP3 8477 23.431 87.339 12.780 1.00 0.00 WT3 H ATOM 46749 H2 TIP3 8477 24.634 87.330 11.861 1.00 0.00 WT3 H ATOM 46750 OH2 TIP3 8478 22.090 84.656 46.895 1.00 0.00 WT3 O ATOM 46751 H1 TIP3 8478 22.903 84.746 47.392 1.00 0.00 WT3 H ATOM 46752 H2 TIP3 8478 21.434 85.110 47.424 1.00 0.00 WT3 H ATOM 46753 OH2 TIP3 8479 90.828 49.302 41.683 1.00 0.00 WT3 O ATOM 46754 H1 TIP3 8479 90.145 49.722 41.160 1.00 0.00 WT3 H ATOM 46755 H2 TIP3 8479 90.822 48.389 41.396 1.00 0.00 WT3 H ATOM 46756 OH2 TIP3 8480 80.448 52.147 31.827 1.00 0.00 WT3 O ATOM 46757 H1 TIP3 8480 80.924 52.355 32.632 1.00 0.00 WT3 H ATOM 46758 H2 TIP3 8480 79.716 52.763 31.815 1.00 0.00 WT3 H ATOM 46759 OH2 TIP3 8481 73.710 25.116 50.871 1.00 0.00 WT3 O ATOM 46760 H1 TIP3 8481 74.266 25.879 50.711 1.00 0.00 WT3 H ATOM 46761 H2 TIP3 8481 72.826 25.475 50.947 1.00 0.00 WT3 H ATOM 46762 OH2 TIP3 8482 47.548 91.840 -17.494 1.00 0.00 WT3 O ATOM 46763 H1 TIP3 8482 48.319 91.931 -18.055 1.00 0.00 WT3 H ATOM 46764 H2 TIP3 8482 46.808 92.033 -18.069 1.00 0.00 WT3 H ATOM 46765 OH2 TIP3 8483 51.636 66.432 62.146 1.00 0.00 WT3 O ATOM 46766 H1 TIP3 8483 52.371 65.867 62.384 1.00 0.00 WT3 H ATOM 46767 H2 TIP3 8483 51.854 67.283 62.527 1.00 0.00 WT3 H ATOM 46768 OH2 TIP3 8484 51.313 80.885 59.832 1.00 0.00 WT3 O ATOM 46769 H1 TIP3 8484 52.096 80.891 59.282 1.00 0.00 WT3 H ATOM 46770 H2 TIP3 8484 51.630 80.631 60.699 1.00 0.00 WT3 H ATOM 46771 OH2 TIP3 8485 66.702 92.524 -15.934 1.00 0.00 WT3 O ATOM 46772 H1 TIP3 8485 66.327 91.644 -15.971 1.00 0.00 WT3 H ATOM 46773 H2 TIP3 8485 67.606 92.412 -16.229 1.00 0.00 WT3 H ATOM 46774 OH2 TIP3 8486 32.239 63.254 43.282 1.00 0.00 WT3 O ATOM 46775 H1 TIP3 8486 32.582 64.100 42.995 1.00 0.00 WT3 H ATOM 46776 H2 TIP3 8486 32.896 62.619 42.997 1.00 0.00 WT3 H ATOM 46777 OH2 TIP3 8487 78.612 66.872 63.649 1.00 0.00 WT3 O ATOM 46778 H1 TIP3 8487 77.684 67.022 63.831 1.00 0.00 WT3 H ATOM 46779 H2 TIP3 8487 78.616 66.248 62.923 1.00 0.00 WT3 H ATOM 46780 OH2 TIP3 8489 38.287 49.662 54.782 1.00 0.00 WT3 O ATOM 46781 H1 TIP3 8489 39.221 49.859 54.714 1.00 0.00 WT3 H ATOM 46782 H2 TIP3 8489 38.236 48.709 54.710 1.00 0.00 WT3 H ATOM 46783 OH2 TIP3 8490 52.743 11.308 46.950 1.00 0.00 WT3 O ATOM 46784 H1 TIP3 8490 52.693 10.367 46.781 1.00 0.00 WT3 H ATOM 46785 H2 TIP3 8490 52.153 11.699 46.306 1.00 0.00 WT3 H ATOM 46786 OH2 TIP3 8491 49.595 96.094 53.040 1.00 0.00 WT3 O ATOM 46787 H1 TIP3 8491 50.240 95.828 52.385 1.00 0.00 WT3 H ATOM 46788 H2 TIP3 8491 50.027 95.935 53.880 1.00 0.00 WT3 H ATOM 46789 OH2 TIP3 8492 76.198 15.300 -4.816 1.00 0.00 WT3 O ATOM 46790 H1 TIP3 8492 75.870 16.172 -5.034 1.00 0.00 WT3 H ATOM 46791 H2 TIP3 8492 75.421 14.811 -4.547 1.00 0.00 WT3 H ATOM 46792 OH2 TIP3 8494 72.973 92.616 -5.650 1.00 0.00 WT3 O ATOM 46793 H1 TIP3 8494 73.111 91.948 -6.322 1.00 0.00 WT3 H ATOM 46794 H2 TIP3 8494 72.223 92.298 -5.146 1.00 0.00 WT3 H ATOM 46795 OH2 TIP3 8495 72.322 41.176 55.915 1.00 0.00 WT3 O ATOM 46796 H1 TIP3 8495 72.174 41.665 55.106 1.00 0.00 WT3 H ATOM 46797 H2 TIP3 8495 71.950 41.730 56.601 1.00 0.00 WT3 H ATOM 46798 OH2 TIP3 8496 78.559 90.565 18.813 1.00 0.00 WT3 O ATOM 46799 H1 TIP3 8496 77.726 90.097 18.752 1.00 0.00 WT3 H ATOM 46800 H2 TIP3 8496 78.722 90.643 19.753 1.00 0.00 WT3 H ATOM 46801 OH2 TIP3 8497 56.625 73.067 39.856 1.00 0.00 WT3 O ATOM 46802 H1 TIP3 8497 57.159 72.889 39.082 1.00 0.00 WT3 H ATOM 46803 H2 TIP3 8497 56.254 72.217 40.093 1.00 0.00 WT3 H ATOM 46804 OH2 TIP3 8498 73.558 82.497 0.479 1.00 0.00 WT3 O ATOM 46805 H1 TIP3 8498 74.324 82.129 0.039 1.00 0.00 WT3 H ATOM 46806 H2 TIP3 8498 73.057 82.915 -0.221 1.00 0.00 WT3 H ATOM 46807 OH2 TIP3 8499 21.280 29.675 -11.959 1.00 0.00 WT3 O ATOM 46808 H1 TIP3 8499 21.627 29.073 -12.618 1.00 0.00 WT3 H ATOM 46809 H2 TIP3 8499 20.367 29.809 -12.214 1.00 0.00 WT3 H ATOM 46810 OH2 TIP3 8501 53.647 21.065 63.088 1.00 0.00 WT3 O ATOM 46811 H1 TIP3 8501 53.154 21.185 62.277 1.00 0.00 WT3 H ATOM 46812 H2 TIP3 8501 54.508 21.440 62.904 1.00 0.00 WT3 H ATOM 46813 OH2 TIP3 8502 30.196 81.144 -15.439 1.00 0.00 WT3 O ATOM 46814 H1 TIP3 8502 31.029 81.489 -15.761 1.00 0.00 WT3 H ATOM 46815 H2 TIP3 8502 30.386 80.853 -14.547 1.00 0.00 WT3 H ATOM 46816 OH2 TIP3 8503 60.609 51.308 38.806 1.00 0.00 WT3 O ATOM 46817 H1 TIP3 8503 60.185 51.177 37.958 1.00 0.00 WT3 H ATOM 46818 H2 TIP3 8503 61.030 52.164 38.736 1.00 0.00 WT3 H ATOM 46819 OH2 TIP3 8505 31.908 25.198 66.985 1.00 0.00 WT3 O ATOM 46820 H1 TIP3 8505 31.120 25.374 67.500 1.00 0.00 WT3 H ATOM 46821 H2 TIP3 8505 31.815 25.749 66.208 1.00 0.00 WT3 H ATOM 46822 OH2 TIP3 8507 71.300 9.009 -1.440 1.00 0.00 WT3 O ATOM 46823 H1 TIP3 8507 70.719 8.984 -0.680 1.00 0.00 WT3 H ATOM 46824 H2 TIP3 8507 72.088 8.547 -1.154 1.00 0.00 WT3 H ATOM 46825 OH2 TIP3 8508 84.878 95.335 -19.746 1.00 0.00 WT3 O ATOM 46826 H1 TIP3 8508 84.656 94.422 -19.933 1.00 0.00 WT3 H ATOM 46827 H2 TIP3 8508 84.749 95.425 -18.802 1.00 0.00 WT3 H ATOM 46828 OH2 TIP3 8509 42.972 81.031 -8.790 1.00 0.00 WT3 O ATOM 46829 H1 TIP3 8509 43.154 80.578 -7.966 1.00 0.00 WT3 H ATOM 46830 H2 TIP3 8509 43.686 81.662 -8.880 1.00 0.00 WT3 H ATOM 46831 OH2 TIP3 8510 29.368 75.183 24.075 1.00 0.00 WT3 O ATOM 46832 H1 TIP3 8510 28.488 75.500 23.872 1.00 0.00 WT3 H ATOM 46833 H2 TIP3 8510 29.242 74.573 24.802 1.00 0.00 WT3 H ATOM 46834 OH2 TIP3 8512 36.968 8.272 -13.289 1.00 0.00 WT3 O ATOM 46835 H1 TIP3 8512 37.069 8.780 -14.094 1.00 0.00 WT3 H ATOM 46836 H2 TIP3 8512 37.100 7.364 -13.560 1.00 0.00 WT3 H ATOM 46837 OH2 TIP3 8513 54.958 74.272 -6.550 1.00 0.00 WT3 O ATOM 46838 H1 TIP3 8513 54.794 73.879 -5.693 1.00 0.00 WT3 H ATOM 46839 H2 TIP3 8513 54.211 74.851 -6.696 1.00 0.00 WT3 H ATOM 46840 OH2 TIP3 8514 20.580 59.454 6.766 1.00 0.00 WT3 O ATOM 46841 H1 TIP3 8514 21.515 59.256 6.820 1.00 0.00 WT3 H ATOM 46842 H2 TIP3 8514 20.515 60.375 7.017 1.00 0.00 WT3 H ATOM 46843 OH2 TIP3 8515 41.242 49.370 -17.696 1.00 0.00 WT3 O ATOM 46844 H1 TIP3 8515 42.094 49.169 -17.308 1.00 0.00 WT3 H ATOM 46845 H2 TIP3 8515 40.904 50.095 -17.170 1.00 0.00 WT3 H ATOM 46846 OH2 TIP3 8516 36.763 48.080 0.714 1.00 0.00 WT3 O ATOM 46847 H1 TIP3 8516 36.772 49.027 0.853 1.00 0.00 WT3 H ATOM 46848 H2 TIP3 8516 35.846 47.872 0.536 1.00 0.00 WT3 H ATOM 46849 OH2 TIP3 8517 77.392 72.945 35.857 1.00 0.00 WT3 O ATOM 46850 H1 TIP3 8517 77.323 73.082 34.912 1.00 0.00 WT3 H ATOM 46851 H2 TIP3 8517 76.724 72.288 36.054 1.00 0.00 WT3 H ATOM 46852 OH2 TIP3 8518 57.128 1.116 -11.907 1.00 0.00 WT3 O ATOM 46853 H1 TIP3 8518 57.788 1.469 -12.504 1.00 0.00 WT3 H ATOM 46854 H2 TIP3 8518 57.371 0.196 -11.798 1.00 0.00 WT3 H ATOM 46855 OH2 TIP3 8519 81.802 69.689 12.856 1.00 0.00 WT3 O ATOM 46856 H1 TIP3 8519 82.611 69.180 12.913 1.00 0.00 WT3 H ATOM 46857 H2 TIP3 8519 81.339 69.321 12.104 1.00 0.00 WT3 H ATOM 46858 OH2 TIP3 8520 41.349 82.391 -0.270 1.00 0.00 WT3 O ATOM 46859 H1 TIP3 8520 40.586 82.545 0.288 1.00 0.00 WT3 H ATOM 46860 H2 TIP3 8520 41.800 83.235 -0.297 1.00 0.00 WT3 H ATOM 46861 OH2 TIP3 8521 22.147 72.396 -17.137 1.00 0.00 WT3 O ATOM 46862 H1 TIP3 8521 21.240 72.104 -17.229 1.00 0.00 WT3 H ATOM 46863 H2 TIP3 8521 22.134 73.312 -17.413 1.00 0.00 WT3 H ATOM 46864 OH2 TIP3 8522 85.078 56.226 -17.127 1.00 0.00 WT3 O ATOM 46865 H1 TIP3 8522 84.719 56.926 -16.581 1.00 0.00 WT3 H ATOM 46866 H2 TIP3 8522 84.355 55.977 -17.703 1.00 0.00 WT3 H ATOM 46867 OH2 TIP3 8523 20.609 16.964 35.661 1.00 0.00 WT3 O ATOM 46868 H1 TIP3 8523 19.703 16.850 35.948 1.00 0.00 WT3 H ATOM 46869 H2 TIP3 8523 21.021 17.466 36.364 1.00 0.00 WT3 H ATOM 46870 OH2 TIP3 8524 65.350 5.989 39.427 1.00 0.00 WT3 O ATOM 46871 H1 TIP3 8524 65.831 6.624 38.896 1.00 0.00 WT3 H ATOM 46872 H2 TIP3 8524 64.433 6.251 39.342 1.00 0.00 WT3 H ATOM 46873 OH2 TIP3 8525 45.516 83.906 53.195 1.00 0.00 WT3 O ATOM 46874 H1 TIP3 8525 45.157 83.995 54.078 1.00 0.00 WT3 H ATOM 46875 H2 TIP3 8525 46.037 83.104 53.227 1.00 0.00 WT3 H ATOM 46876 OH2 TIP3 8526 23.205 77.109 46.526 1.00 0.00 WT3 O ATOM 46877 H1 TIP3 8526 23.159 77.904 47.059 1.00 0.00 WT3 H ATOM 46878 H2 TIP3 8526 23.863 76.567 46.961 1.00 0.00 WT3 H ATOM 46879 OH2 TIP3 8527 60.040 66.526 61.941 1.00 0.00 WT3 O ATOM 46880 H1 TIP3 8527 60.829 65.992 62.036 1.00 0.00 WT3 H ATOM 46881 H2 TIP3 8527 59.883 66.880 62.816 1.00 0.00 WT3 H ATOM 46882 OH2 TIP3 8528 66.578 47.863 -6.407 1.00 0.00 WT3 O ATOM 46883 H1 TIP3 8528 66.343 47.259 -5.703 1.00 0.00 WT3 H ATOM 46884 H2 TIP3 8528 67.230 48.445 -6.017 1.00 0.00 WT3 H ATOM 46885 OH2 TIP3 8529 40.721 93.008 48.712 1.00 0.00 WT3 O ATOM 46886 H1 TIP3 8529 40.438 93.352 47.865 1.00 0.00 WT3 H ATOM 46887 H2 TIP3 8529 40.720 93.769 49.293 1.00 0.00 WT3 H ATOM 46888 OH2 TIP3 8530 36.908 8.093 -8.227 1.00 0.00 WT3 O ATOM 46889 H1 TIP3 8530 36.492 7.810 -9.041 1.00 0.00 WT3 H ATOM 46890 H2 TIP3 8530 37.846 8.076 -8.419 1.00 0.00 WT3 H ATOM 46891 OH2 TIP3 8531 23.276 69.251 -2.394 1.00 0.00 WT3 O ATOM 46892 H1 TIP3 8531 23.738 68.552 -1.931 1.00 0.00 WT3 H ATOM 46893 H2 TIP3 8531 23.466 69.092 -3.319 1.00 0.00 WT3 H ATOM 46894 OH2 TIP3 8532 58.804 51.214 52.232 1.00 0.00 WT3 O ATOM 46895 H1 TIP3 8532 59.103 51.578 53.065 1.00 0.00 WT3 H ATOM 46896 H2 TIP3 8532 59.517 51.395 51.621 1.00 0.00 WT3 H ATOM 46897 OH2 TIP3 8534 89.942 92.686 12.193 1.00 0.00 WT3 O ATOM 46898 H1 TIP3 8534 89.711 91.871 12.638 1.00 0.00 WT3 H ATOM 46899 H2 TIP3 8534 90.419 93.192 12.851 1.00 0.00 WT3 H ATOM 46900 OH2 TIP3 8535 21.662 34.692 -9.741 1.00 0.00 WT3 O ATOM 46901 H1 TIP3 8535 20.835 34.839 -9.282 1.00 0.00 WT3 H ATOM 46902 H2 TIP3 8535 21.586 35.208 -10.544 1.00 0.00 WT3 H ATOM 46903 OH2 TIP3 8536 34.550 84.816 -13.538 1.00 0.00 WT3 O ATOM 46904 H1 TIP3 8536 33.780 85.156 -13.993 1.00 0.00 WT3 H ATOM 46905 H2 TIP3 8536 35.291 85.239 -13.972 1.00 0.00 WT3 H ATOM 46906 OH2 TIP3 8538 27.690 94.188 -5.408 1.00 0.00 WT3 O ATOM 46907 H1 TIP3 8538 28.491 94.165 -4.884 1.00 0.00 WT3 H ATOM 46908 H2 TIP3 8538 27.265 93.348 -5.233 1.00 0.00 WT3 H ATOM 46909 OH2 TIP3 8539 86.509 5.169 -2.128 1.00 0.00 WT3 O ATOM 46910 H1 TIP3 8539 87.393 5.017 -2.461 1.00 0.00 WT3 H ATOM 46911 H2 TIP3 8539 85.933 4.881 -2.835 1.00 0.00 WT3 H ATOM 46912 OH2 TIP3 8541 83.164 66.895 64.121 1.00 0.00 WT3 O ATOM 46913 H1 TIP3 8541 82.985 66.846 63.182 1.00 0.00 WT3 H ATOM 46914 H2 TIP3 8541 82.312 66.764 64.535 1.00 0.00 WT3 H ATOM 46915 OH2 TIP3 8542 72.179 50.200 1.566 1.00 0.00 WT3 O ATOM 46916 H1 TIP3 8542 71.566 50.929 1.662 1.00 0.00 WT3 H ATOM 46917 H2 TIP3 8542 72.567 50.096 2.434 1.00 0.00 WT3 H ATOM 46918 OH2 TIP3 8543 23.718 91.930 32.033 1.00 0.00 WT3 O ATOM 46919 H1 TIP3 8543 24.601 92.180 32.302 1.00 0.00 WT3 H ATOM 46920 H2 TIP3 8543 23.846 91.422 31.232 1.00 0.00 WT3 H ATOM 46921 OH2 TIP3 8544 33.897 9.157 -6.751 1.00 0.00 WT3 O ATOM 46922 H1 TIP3 8544 34.505 9.242 -6.016 1.00 0.00 WT3 H ATOM 46923 H2 TIP3 8544 34.459 9.038 -7.516 1.00 0.00 WT3 H ATOM 46924 OH2 TIP3 8545 48.134 77.778 26.323 1.00 0.00 WT3 O ATOM 46925 H1 TIP3 8545 49.023 77.468 26.497 1.00 0.00 WT3 H ATOM 46926 H2 TIP3 8545 48.109 77.915 25.376 1.00 0.00 WT3 H ATOM 46927 OH2 TIP3 8546 53.360 62.139 4.572 1.00 0.00 WT3 O ATOM 46928 H1 TIP3 8546 54.179 61.892 4.143 1.00 0.00 WT3 H ATOM 46929 H2 TIP3 8546 53.083 62.937 4.122 1.00 0.00 WT3 H ATOM 46930 OH2 TIP3 8547 79.387 92.596 48.766 1.00 0.00 WT3 O ATOM 46931 H1 TIP3 8547 80.011 91.944 48.446 1.00 0.00 WT3 H ATOM 46932 H2 TIP3 8547 78.997 92.964 47.973 1.00 0.00 WT3 H ATOM 46933 OH2 TIP3 8548 70.904 71.867 52.046 1.00 0.00 WT3 O ATOM 46934 H1 TIP3 8548 70.406 71.894 51.229 1.00 0.00 WT3 H ATOM 46935 H2 TIP3 8548 71.469 72.638 52.009 1.00 0.00 WT3 H ATOM 46936 OH2 TIP3 8549 31.853 37.274 5.922 1.00 0.00 WT3 O ATOM 46937 H1 TIP3 8549 31.378 36.929 5.166 1.00 0.00 WT3 H ATOM 46938 H2 TIP3 8549 31.573 38.187 5.985 1.00 0.00 WT3 H ATOM 46939 OH2 TIP3 8550 58.846 95.252 7.556 1.00 0.00 WT3 O ATOM 46940 H1 TIP3 8550 59.124 96.005 7.033 1.00 0.00 WT3 H ATOM 46941 H2 TIP3 8550 58.705 94.555 6.916 1.00 0.00 WT3 H ATOM 46942 OH2 TIP3 8552 25.472 22.906 9.351 1.00 0.00 WT3 O ATOM 46943 H1 TIP3 8552 25.408 22.789 10.299 1.00 0.00 WT3 H ATOM 46944 H2 TIP3 8552 25.124 23.783 9.193 1.00 0.00 WT3 H ATOM 46945 OH2 TIP3 8554 31.773 94.228 23.112 1.00 0.00 WT3 O ATOM 46946 H1 TIP3 8554 32.078 93.853 23.938 1.00 0.00 WT3 H ATOM 46947 H2 TIP3 8554 30.829 94.069 23.110 1.00 0.00 WT3 H ATOM 46948 OH2 TIP3 8555 31.241 93.713 7.688 1.00 0.00 WT3 O ATOM 46949 H1 TIP3 8555 31.756 92.921 7.844 1.00 0.00 WT3 H ATOM 46950 H2 TIP3 8555 31.860 94.431 7.823 1.00 0.00 WT3 H ATOM 46951 OH2 TIP3 8556 32.936 13.167 28.151 1.00 0.00 WT3 O ATOM 46952 H1 TIP3 8556 32.453 13.664 27.491 1.00 0.00 WT3 H ATOM 46953 H2 TIP3 8556 33.673 12.787 27.673 1.00 0.00 WT3 H ATOM 46954 OH2 TIP3 8557 24.624 55.427 11.190 1.00 0.00 WT3 O ATOM 46955 H1 TIP3 8557 25.325 55.779 11.739 1.00 0.00 WT3 H ATOM 46956 H2 TIP3 8557 25.042 55.264 10.344 1.00 0.00 WT3 H ATOM 46957 OH2 TIP3 8558 81.881 92.037 25.711 1.00 0.00 WT3 O ATOM 46958 H1 TIP3 8558 81.111 91.471 25.659 1.00 0.00 WT3 H ATOM 46959 H2 TIP3 8558 81.764 92.668 25.001 1.00 0.00 WT3 H ATOM 46960 OH2 TIP3 8560 23.997 33.493 -10.373 1.00 0.00 WT3 O ATOM 46961 H1 TIP3 8560 23.262 33.925 -9.937 1.00 0.00 WT3 H ATOM 46962 H2 TIP3 8560 23.744 32.571 -10.413 1.00 0.00 WT3 H ATOM 46963 OH2 TIP3 8561 32.101 45.438 -8.789 1.00 0.00 WT3 O ATOM 46964 H1 TIP3 8561 31.941 44.919 -9.577 1.00 0.00 WT3 H ATOM 46965 H2 TIP3 8561 31.228 45.651 -8.460 1.00 0.00 WT3 H ATOM 46966 OH2 TIP3 8562 40.241 24.547 44.662 1.00 0.00 WT3 O ATOM 46967 H1 TIP3 8562 39.544 25.184 44.508 1.00 0.00 WT3 H ATOM 46968 H2 TIP3 8562 40.890 24.732 43.984 1.00 0.00 WT3 H ATOM 46969 OH2 TIP3 8564 35.752 77.673 -16.554 1.00 0.00 WT3 O ATOM 46970 H1 TIP3 8564 35.381 77.752 -15.675 1.00 0.00 WT3 H ATOM 46971 H2 TIP3 8564 35.092 78.061 -17.129 1.00 0.00 WT3 H ATOM 46972 OH2 TIP3 8565 45.023 80.874 41.309 1.00 0.00 WT3 O ATOM 46973 H1 TIP3 8565 44.813 81.783 41.522 1.00 0.00 WT3 H ATOM 46974 H2 TIP3 8565 44.184 80.415 41.361 1.00 0.00 WT3 H ATOM 46975 OH2 TIP3 8566 33.984 7.276 30.803 1.00 0.00 WT3 O ATOM 46976 H1 TIP3 8566 33.336 7.295 30.099 1.00 0.00 WT3 H ATOM 46977 H2 TIP3 8566 33.728 6.531 31.346 1.00 0.00 WT3 H ATOM 46978 OH2 TIP3 8567 23.523 40.772 67.344 1.00 0.00 WT3 O ATOM 46979 H1 TIP3 8567 24.409 41.113 67.225 1.00 0.00 WT3 H ATOM 46980 H2 TIP3 8567 23.026 41.133 66.610 1.00 0.00 WT3 H ATOM 46981 OH2 TIP3 8571 76.721 82.673 -9.828 1.00 0.00 WT3 O ATOM 46982 H1 TIP3 8571 76.943 82.288 -10.676 1.00 0.00 WT3 H ATOM 46983 H2 TIP3 8571 75.826 82.995 -9.938 1.00 0.00 WT3 H ATOM 46984 OH2 TIP3 8573 66.188 77.985 60.726 1.00 0.00 WT3 O ATOM 46985 H1 TIP3 8573 65.422 78.449 60.388 1.00 0.00 WT3 H ATOM 46986 H2 TIP3 8573 66.934 78.504 60.424 1.00 0.00 WT3 H ATOM 46987 OH2 TIP3 8574 52.978 11.417 40.068 1.00 0.00 WT3 O ATOM 46988 H1 TIP3 8574 53.372 10.616 39.722 1.00 0.00 WT3 H ATOM 46989 H2 TIP3 8574 53.629 11.758 40.682 1.00 0.00 WT3 H ATOM 46990 OH2 TIP3 8577 38.836 34.156 -14.601 1.00 0.00 WT3 O ATOM 46991 H1 TIP3 8577 39.444 33.514 -14.234 1.00 0.00 WT3 H ATOM 46992 H2 TIP3 8577 38.627 33.818 -15.472 1.00 0.00 WT3 H ATOM 46993 OH2 TIP3 8579 62.304 20.010 40.626 1.00 0.00 WT3 O ATOM 46994 H1 TIP3 8579 62.560 19.088 40.655 1.00 0.00 WT3 H ATOM 46995 H2 TIP3 8579 61.950 20.133 39.746 1.00 0.00 WT3 H ATOM 46996 OH2 TIP3 8581 27.626 59.892 40.163 1.00 0.00 WT3 O ATOM 46997 H1 TIP3 8581 28.132 60.144 40.936 1.00 0.00 WT3 H ATOM 46998 H2 TIP3 8581 26.716 59.904 40.457 1.00 0.00 WT3 H ATOM 46999 OH2 TIP3 8582 46.909 0.714 37.250 1.00 0.00 WT3 O ATOM 47000 H1 TIP3 8582 47.640 1.284 37.012 1.00 0.00 WT3 H ATOM 47001 H2 TIP3 8582 46.775 0.874 38.184 1.00 0.00 WT3 H ATOM 47002 OH2 TIP3 8583 86.328 54.737 48.094 1.00 0.00 WT3 O ATOM 47003 H1 TIP3 8583 85.737 54.107 48.507 1.00 0.00 WT3 H ATOM 47004 H2 TIP3 8583 87.126 54.239 47.919 1.00 0.00 WT3 H ATOM 47005 OH2 TIP3 8584 27.763 52.461 -6.792 1.00 0.00 WT3 O ATOM 47006 H1 TIP3 8584 27.842 53.234 -6.233 1.00 0.00 WT3 H ATOM 47007 H2 TIP3 8584 26.855 52.179 -6.686 1.00 0.00 WT3 H ATOM 47008 OH2 TIP3 8585 68.497 46.705 22.146 1.00 0.00 WT3 O ATOM 47009 H1 TIP3 8585 68.777 47.621 22.144 1.00 0.00 WT3 H ATOM 47010 H2 TIP3 8585 67.900 46.638 22.891 1.00 0.00 WT3 H ATOM 47011 OH2 TIP3 8590 53.056 76.173 -18.565 1.00 0.00 WT3 O ATOM 47012 H1 TIP3 8590 52.814 76.906 -19.130 1.00 0.00 WT3 H ATOM 47013 H2 TIP3 8590 53.945 76.377 -18.274 1.00 0.00 WT3 H ATOM 47014 OH2 TIP3 8591 51.915 11.117 44.421 1.00 0.00 WT3 O ATOM 47015 H1 TIP3 8591 51.011 10.985 44.136 1.00 0.00 WT3 H ATOM 47016 H2 TIP3 8591 52.406 10.412 43.999 1.00 0.00 WT3 H ATOM 47017 OH2 TIP3 8594 84.219 5.685 -14.700 1.00 0.00 WT3 O ATOM 47018 H1 TIP3 8594 84.503 6.280 -14.006 1.00 0.00 WT3 H ATOM 47019 H2 TIP3 8594 84.535 6.090 -15.507 1.00 0.00 WT3 H ATOM 47020 OH2 TIP3 8598 76.542 65.306 10.222 1.00 0.00 WT3 O ATOM 47021 H1 TIP3 8598 77.326 65.677 10.626 1.00 0.00 WT3 H ATOM 47022 H2 TIP3 8598 75.825 65.577 10.796 1.00 0.00 WT3 H ATOM 47023 OH2 TIP3 8600 62.771 28.178 36.792 1.00 0.00 WT3 O ATOM 47024 H1 TIP3 8600 63.034 27.908 37.671 1.00 0.00 WT3 H ATOM 47025 H2 TIP3 8600 62.523 27.364 36.354 1.00 0.00 WT3 H ATOM 47026 OH2 TIP3 8602 65.670 29.057 15.165 1.00 0.00 WT3 O ATOM 47027 H1 TIP3 8602 65.702 29.529 15.997 1.00 0.00 WT3 H ATOM 47028 H2 TIP3 8602 64.822 29.292 14.788 1.00 0.00 WT3 H ATOM 47029 OH2 TIP3 8605 24.222 38.462 66.118 1.00 0.00 WT3 O ATOM 47030 H1 TIP3 8605 24.216 39.150 66.784 1.00 0.00 WT3 H ATOM 47031 H2 TIP3 8605 24.066 38.924 65.294 1.00 0.00 WT3 H ATOM 47032 OH2 TIP3 8614 88.303 23.580 46.279 1.00 0.00 WT3 O ATOM 47033 H1 TIP3 8614 87.825 23.380 47.085 1.00 0.00 WT3 H ATOM 47034 H2 TIP3 8614 87.945 22.973 45.631 1.00 0.00 WT3 H ATOM 47035 OH2 TIP3 8615 58.341 71.448 0.555 1.00 0.00 WT3 O ATOM 47036 H1 TIP3 8615 57.691 71.766 1.181 1.00 0.00 WT3 H ATOM 47037 H2 TIP3 8615 58.954 70.937 1.083 1.00 0.00 WT3 H ATOM 47038 OH2 TIP3 8621 82.180 77.485 52.353 1.00 0.00 WT3 O ATOM 47039 H1 TIP3 8621 81.568 76.980 51.818 1.00 0.00 WT3 H ATOM 47040 H2 TIP3 8621 81.742 78.326 52.489 1.00 0.00 WT3 H ATOM 47041 OH2 TIP3 8625 48.053 77.410 6.511 1.00 0.00 WT3 O ATOM 47042 H1 TIP3 8625 48.870 77.081 6.886 1.00 0.00 WT3 H ATOM 47043 H2 TIP3 8625 47.640 76.640 6.120 1.00 0.00 WT3 H ATOM 47044 OH2 TIP3 8627 65.564 84.843 8.817 1.00 0.00 WT3 O ATOM 47045 H1 TIP3 8627 65.397 84.339 8.021 1.00 0.00 WT3 H ATOM 47046 H2 TIP3 8627 65.830 84.189 9.464 1.00 0.00 WT3 H ATOM 47047 OH2 TIP3 8635 40.973 88.359 49.778 1.00 0.00 WT3 O ATOM 47048 H1 TIP3 8635 40.784 88.355 48.840 1.00 0.00 WT3 H ATOM 47049 H2 TIP3 8635 41.812 87.903 49.855 1.00 0.00 WT3 H ATOM 47050 OH2 TIP3 8637 78.219 8.928 37.115 1.00 0.00 WT3 O ATOM 47051 H1 TIP3 8637 77.500 8.391 37.449 1.00 0.00 WT3 H ATOM 47052 H2 TIP3 8637 78.572 8.425 36.381 1.00 0.00 WT3 H ATOM 47053 OH2 TIP3 8638 29.144 41.899 30.777 1.00 0.00 WT3 O ATOM 47054 H1 TIP3 8638 29.797 41.229 30.576 1.00 0.00 WT3 H ATOM 47055 H2 TIP3 8638 28.541 41.877 30.035 1.00 0.00 WT3 H ATOM 47056 OH2 TIP3 8640 72.039 18.746 35.521 1.00 0.00 WT3 O ATOM 47057 H1 TIP3 8640 72.770 18.742 36.139 1.00 0.00 WT3 H ATOM 47058 H2 TIP3 8640 71.649 17.875 35.605 1.00 0.00 WT3 H ATOM 47059 OH2 TIP3 8645 73.398 68.752 -16.197 1.00 0.00 WT3 O ATOM 47060 H1 TIP3 8645 74.216 68.752 -16.694 1.00 0.00 WT3 H ATOM 47061 H2 TIP3 8645 73.543 69.388 -15.496 1.00 0.00 WT3 H ATOM 47062 OH2 TIP3 8647 55.366 96.301 29.354 1.00 0.00 WT3 O ATOM 47063 H1 TIP3 8647 56.073 95.664 29.456 1.00 0.00 WT3 H ATOM 47064 H2 TIP3 8647 55.775 97.146 29.539 1.00 0.00 WT3 H ATOM 47065 OH2 TIP3 8649 21.522 38.969 8.369 1.00 0.00 WT3 O ATOM 47066 H1 TIP3 8649 21.860 39.624 8.980 1.00 0.00 WT3 H ATOM 47067 H2 TIP3 8649 21.180 39.479 7.636 1.00 0.00 WT3 H ATOM 47068 OH2 TIP3 8669 38.017 8.289 64.594 1.00 0.00 WT3 O ATOM 47069 H1 TIP3 8669 38.728 8.931 64.583 1.00 0.00 WT3 H ATOM 47070 H2 TIP3 8669 38.412 7.500 64.965 1.00 0.00 WT3 H ATOM 47071 OH2 TIP3 8753 21.356 56.378 39.492 1.00 0.00 WT3 O ATOM 47072 H1 TIP3 8753 20.597 55.863 39.766 1.00 0.00 WT3 H ATOM 47073 H2 TIP3 8753 22.102 55.793 39.617 1.00 0.00 WT3 H ATOM 47074 OH2 TIP3 8760 43.950 91.879 -17.538 1.00 0.00 WT3 O ATOM 47075 H1 TIP3 8760 44.625 92.107 -18.178 1.00 0.00 WT3 H ATOM 47076 H2 TIP3 8760 44.330 91.157 -17.036 1.00 0.00 WT3 H ATOM 47077 OH2 TIP3 8762 62.034 23.559 46.397 1.00 0.00 WT3 O ATOM 47078 H1 TIP3 8762 62.283 24.304 45.850 1.00 0.00 WT3 H ATOM 47079 H2 TIP3 8762 61.193 23.270 46.041 1.00 0.00 WT3 H ATOM 47080 OH2 TIP3 8777 48.438 70.425 0.021 1.00 0.00 WT3 O ATOM 47081 H1 TIP3 8777 49.083 69.832 0.407 1.00 0.00 WT3 H ATOM 47082 H2 TIP3 8777 48.904 71.256 -0.074 1.00 0.00 WT3 H ATOM 47083 OH2 TIP3 8779 32.410 57.969 -5.368 1.00 0.00 WT3 O ATOM 47084 H1 TIP3 8779 31.493 58.064 -5.626 1.00 0.00 WT3 H ATOM 47085 H2 TIP3 8779 32.640 58.816 -4.985 1.00 0.00 WT3 H ATOM 47086 OH2 TIP3 8780 53.836 71.440 -11.243 1.00 0.00 WT3 O ATOM 47087 H1 TIP3 8780 53.345 71.570 -10.432 1.00 0.00 WT3 H ATOM 47088 H2 TIP3 8780 53.165 71.306 -11.912 1.00 0.00 WT3 H ATOM 47089 OH2 TIP3 8782 74.973 89.898 48.507 1.00 0.00 WT3 O ATOM 47090 H1 TIP3 8782 75.302 90.777 48.695 1.00 0.00 WT3 H ATOM 47091 H2 TIP3 8782 74.675 89.943 47.598 1.00 0.00 WT3 H ATOM 47092 OH2 TIP3 8790 65.959 42.530 38.008 1.00 0.00 WT3 O ATOM 47093 H1 TIP3 8790 66.773 42.729 37.545 1.00 0.00 WT3 H ATOM 47094 H2 TIP3 8790 66.063 42.947 38.863 1.00 0.00 WT3 H ATOM 47095 OH2 TIP3 8792 55.397 2.136 1.858 1.00 0.00 WT3 O ATOM 47096 H1 TIP3 8792 55.487 2.698 2.627 1.00 0.00 WT3 H ATOM 47097 H2 TIP3 8792 55.051 2.714 1.178 1.00 0.00 WT3 H ATOM 47098 OH2 TIP3 8794 22.958 10.744 -15.387 1.00 0.00 WT3 O ATOM 47099 H1 TIP3 8794 23.086 10.700 -14.439 1.00 0.00 WT3 H ATOM 47100 H2 TIP3 8794 23.384 9.956 -15.723 1.00 0.00 WT3 H ATOM 47101 OH2 TIP3 8799 30.458 95.279 -3.119 1.00 0.00 WT3 O ATOM 47102 H1 TIP3 8799 30.918 95.625 -2.354 1.00 0.00 WT3 H ATOM 47103 H2 TIP3 8799 30.015 94.493 -2.798 1.00 0.00 WT3 H ATOM 47104 OH2 TIP3 8801 84.292 39.634 12.477 1.00 0.00 WT3 O ATOM 47105 H1 TIP3 8801 84.404 38.754 12.116 1.00 0.00 WT3 H ATOM 47106 H2 TIP3 8801 84.311 39.509 13.425 1.00 0.00 WT3 H ATOM 47107 OH2 TIP3 8802 53.126 44.129 56.112 1.00 0.00 WT3 O ATOM 47108 H1 TIP3 8802 53.812 44.397 56.724 1.00 0.00 WT3 H ATOM 47109 H2 TIP3 8802 53.158 44.785 55.415 1.00 0.00 WT3 H ATOM 47110 OH2 TIP3 8803 27.259 70.794 -5.021 1.00 0.00 WT3 O ATOM 47111 H1 TIP3 8803 26.642 70.930 -4.302 1.00 0.00 WT3 H ATOM 47112 H2 TIP3 8803 28.044 70.444 -4.600 1.00 0.00 WT3 H ATOM 47113 OH2 TIP3 8807 59.056 86.666 -6.506 1.00 0.00 WT3 O ATOM 47114 H1 TIP3 8807 58.867 87.310 -5.824 1.00 0.00 WT3 H ATOM 47115 H2 TIP3 8807 58.199 86.314 -6.748 1.00 0.00 WT3 H ATOM 47116 OH2 TIP3 8813 35.052 95.469 66.571 1.00 0.00 WT3 O ATOM 47117 H1 TIP3 8813 34.129 95.720 66.621 1.00 0.00 WT3 H ATOM 47118 H2 TIP3 8813 35.504 96.108 67.122 1.00 0.00 WT3 H ATOM 47119 OH2 TIP3 8816 88.356 67.432 -11.913 1.00 0.00 WT3 O ATOM 47120 H1 TIP3 8816 88.539 68.284 -11.517 1.00 0.00 WT3 H ATOM 47121 H2 TIP3 8816 87.401 67.368 -11.914 1.00 0.00 WT3 H ATOM 47122 OH2 TIP3 8820 84.771 68.054 -7.364 1.00 0.00 WT3 O ATOM 47123 H1 TIP3 8820 84.439 67.258 -7.780 1.00 0.00 WT3 H ATOM 47124 H2 TIP3 8820 85.365 68.433 -8.012 1.00 0.00 WT3 H ATOM 47125 OH2 TIP3 8822 75.245 6.501 50.978 1.00 0.00 WT3 O ATOM 47126 H1 TIP3 8822 75.274 7.436 51.179 1.00 0.00 WT3 H ATOM 47127 H2 TIP3 8822 75.205 6.462 50.022 1.00 0.00 WT3 H ATOM 47128 OH2 TIP3 8823 68.388 74.860 42.584 1.00 0.00 WT3 O ATOM 47129 H1 TIP3 8823 68.555 74.264 41.854 1.00 0.00 WT3 H ATOM 47130 H2 TIP3 8823 69.127 75.467 42.573 1.00 0.00 WT3 H ATOM 47131 OH2 TIP3 8824 26.890 56.504 26.479 1.00 0.00 WT3 O ATOM 47132 H1 TIP3 8824 27.410 56.567 25.678 1.00 0.00 WT3 H ATOM 47133 H2 TIP3 8824 26.028 56.214 26.183 1.00 0.00 WT3 H ATOM 47134 OH2 TIP3 8829 86.927 30.915 -15.090 1.00 0.00 WT3 O ATOM 47135 H1 TIP3 8829 86.510 31.680 -14.694 1.00 0.00 WT3 H ATOM 47136 H2 TIP3 8829 87.586 31.280 -15.680 1.00 0.00 WT3 H ATOM 47137 OH2 TIP3 8830 83.920 76.022 -8.613 1.00 0.00 WT3 O ATOM 47138 H1 TIP3 8830 83.671 76.773 -8.074 1.00 0.00 WT3 H ATOM 47139 H2 TIP3 8830 83.410 75.293 -8.259 1.00 0.00 WT3 H ATOM 47140 OH2 TIP3 8831 74.542 75.828 12.739 1.00 0.00 WT3 O ATOM 47141 H1 TIP3 8831 74.070 75.701 13.562 1.00 0.00 WT3 H ATOM 47142 H2 TIP3 8831 73.960 76.374 12.210 1.00 0.00 WT3 H ATOM 47143 OH2 TIP3 8833 67.393 76.413 22.937 1.00 0.00 WT3 O ATOM 47144 H1 TIP3 8833 66.891 76.775 23.667 1.00 0.00 WT3 H ATOM 47145 H2 TIP3 8833 66.946 75.595 22.721 1.00 0.00 WT3 H ATOM 47146 OH2 TIP3 8836 63.448 15.910 12.539 1.00 0.00 WT3 O ATOM 47147 H1 TIP3 8836 62.711 15.639 11.991 1.00 0.00 WT3 H ATOM 47148 H2 TIP3 8836 63.162 15.726 13.434 1.00 0.00 WT3 H ATOM 47149 OH2 TIP3 8837 43.831 32.943 53.899 1.00 0.00 WT3 O ATOM 47150 H1 TIP3 8837 43.224 32.388 54.389 1.00 0.00 WT3 H ATOM 47151 H2 TIP3 8837 43.940 32.496 53.059 1.00 0.00 WT3 H ATOM 47152 OH2 TIP3 8838 40.589 39.795 41.305 1.00 0.00 WT3 O ATOM 47153 H1 TIP3 8838 39.889 40.441 41.396 1.00 0.00 WT3 H ATOM 47154 H2 TIP3 8838 40.523 39.257 42.094 1.00 0.00 WT3 H ATOM 47155 OH2 TIP3 8840 29.557 16.435 66.260 1.00 0.00 WT3 O ATOM 47156 H1 TIP3 8840 29.144 16.966 66.941 1.00 0.00 WT3 H ATOM 47157 H2 TIP3 8840 30.428 16.817 66.153 1.00 0.00 WT3 H ATOM 47158 OH2 TIP3 8842 31.274 2.403 -15.881 1.00 0.00 WT3 O ATOM 47159 H1 TIP3 8842 31.521 1.481 -15.799 1.00 0.00 WT3 H ATOM 47160 H2 TIP3 8842 30.396 2.382 -16.264 1.00 0.00 WT3 H ATOM 47161 OH2 TIP3 8843 50.175 75.864 55.154 1.00 0.00 WT3 O ATOM 47162 H1 TIP3 8843 50.841 75.524 55.752 1.00 0.00 WT3 H ATOM 47163 H2 TIP3 8843 50.313 75.380 54.340 1.00 0.00 WT3 H ATOM 47164 OH2 TIP3 8844 73.869 24.349 62.989 1.00 0.00 WT3 O ATOM 47165 H1 TIP3 8844 74.691 24.624 63.395 1.00 0.00 WT3 H ATOM 47166 H2 TIP3 8844 73.553 25.130 62.535 1.00 0.00 WT3 H ATOM 47167 OH2 TIP3 8845 52.422 23.482 51.915 1.00 0.00 WT3 O ATOM 47168 H1 TIP3 8845 51.516 23.723 52.105 1.00 0.00 WT3 H ATOM 47169 H2 TIP3 8845 52.401 23.165 51.012 1.00 0.00 WT3 H ATOM 47170 OH2 TIP3 8846 59.436 54.945 -16.693 1.00 0.00 WT3 O ATOM 47171 H1 TIP3 8846 58.614 55.200 -17.113 1.00 0.00 WT3 H ATOM 47172 H2 TIP3 8846 59.231 54.125 -16.244 1.00 0.00 WT3 H ATOM 47173 OH2 TIP3 8847 88.788 21.947 -14.471 1.00 0.00 WT3 O ATOM 47174 H1 TIP3 8847 88.980 22.883 -14.416 1.00 0.00 WT3 H ATOM 47175 H2 TIP3 8847 88.634 21.680 -13.565 1.00 0.00 WT3 H ATOM 47176 OH2 TIP3 8848 42.161 54.767 -16.373 1.00 0.00 WT3 O ATOM 47177 H1 TIP3 8848 42.464 54.998 -17.251 1.00 0.00 WT3 H ATOM 47178 H2 TIP3 8848 42.072 55.606 -15.921 1.00 0.00 WT3 H ATOM 47179 OH2 TIP3 8849 67.076 54.674 52.259 1.00 0.00 WT3 O ATOM 47180 H1 TIP3 8849 66.256 54.508 51.794 1.00 0.00 WT3 H ATOM 47181 H2 TIP3 8849 67.744 54.676 51.573 1.00 0.00 WT3 H ATOM 47182 OH2 TIP3 8852 48.916 60.614 49.720 1.00 0.00 WT3 O ATOM 47183 H1 TIP3 8852 49.770 60.964 49.465 1.00 0.00 WT3 H ATOM 47184 H2 TIP3 8852 48.415 60.584 48.905 1.00 0.00 WT3 H ATOM 47185 OH2 TIP3 8855 27.089 73.305 39.754 1.00 0.00 WT3 O ATOM 47186 H1 TIP3 8855 26.648 72.502 39.479 1.00 0.00 WT3 H ATOM 47187 H2 TIP3 8855 27.943 73.270 39.322 1.00 0.00 WT3 H ATOM 47188 OH2 TIP3 8856 65.469 65.711 62.217 1.00 0.00 WT3 O ATOM 47189 H1 TIP3 8856 66.011 64.927 62.133 1.00 0.00 WT3 H ATOM 47190 H2 TIP3 8856 66.003 66.413 61.844 1.00 0.00 WT3 H ATOM 47191 OH2 TIP3 8857 55.217 2.199 34.591 1.00 0.00 WT3 O ATOM 47192 H1 TIP3 8857 55.559 3.089 34.669 1.00 0.00 WT3 H ATOM 47193 H2 TIP3 8857 54.323 2.312 34.270 1.00 0.00 WT3 H ATOM 47194 OH2 TIP3 8859 61.666 31.242 7.443 1.00 0.00 WT3 O ATOM 47195 H1 TIP3 8859 60.947 30.791 7.886 1.00 0.00 WT3 H ATOM 47196 H2 TIP3 8859 61.243 31.736 6.742 1.00 0.00 WT3 H ATOM 47197 OH2 TIP3 8861 24.995 55.036 -19.394 1.00 0.00 WT3 O ATOM 47198 H1 TIP3 8861 24.712 54.890 -18.491 1.00 0.00 WT3 H ATOM 47199 H2 TIP3 8861 24.349 55.645 -19.752 1.00 0.00 WT3 H ATOM 47200 OH2 TIP3 8863 25.500 89.946 59.576 1.00 0.00 WT3 O ATOM 47201 H1 TIP3 8863 25.469 90.902 59.606 1.00 0.00 WT3 H ATOM 47202 H2 TIP3 8863 24.616 89.686 59.315 1.00 0.00 WT3 H ATOM 47203 OH2 TIP3 8864 82.359 79.663 -12.560 1.00 0.00 WT3 O ATOM 47204 H1 TIP3 8864 81.520 79.582 -13.013 1.00 0.00 WT3 H ATOM 47205 H2 TIP3 8864 82.315 79.016 -11.856 1.00 0.00 WT3 H ATOM 47206 OH2 TIP3 8865 33.800 48.475 0.244 1.00 0.00 WT3 O ATOM 47207 H1 TIP3 8865 33.883 49.042 -0.522 1.00 0.00 WT3 H ATOM 47208 H2 TIP3 8865 33.099 47.864 0.015 1.00 0.00 WT3 H ATOM 47209 OH2 TIP3 8866 45.284 13.916 -7.965 1.00 0.00 WT3 O ATOM 47210 H1 TIP3 8866 44.470 13.985 -8.465 1.00 0.00 WT3 H ATOM 47211 H2 TIP3 8866 45.802 14.671 -8.244 1.00 0.00 WT3 H ATOM 47212 OH2 TIP3 8867 43.312 44.112 34.643 1.00 0.00 WT3 O ATOM 47213 H1 TIP3 8867 43.486 43.715 33.790 1.00 0.00 WT3 H ATOM 47214 H2 TIP3 8867 43.095 45.023 34.443 1.00 0.00 WT3 H ATOM 47215 OH2 TIP3 8869 55.926 86.251 46.456 1.00 0.00 WT3 O ATOM 47216 H1 TIP3 8869 55.512 85.922 45.658 1.00 0.00 WT3 H ATOM 47217 H2 TIP3 8869 55.499 87.093 46.618 1.00 0.00 WT3 H ATOM 47218 OH2 TIP3 8870 88.138 73.735 -17.303 1.00 0.00 WT3 O ATOM 47219 H1 TIP3 8870 87.582 74.109 -16.620 1.00 0.00 WT3 H ATOM 47220 H2 TIP3 8870 88.702 73.115 -16.841 1.00 0.00 WT3 H ATOM 47221 OH2 TIP3 8871 66.940 61.055 -2.795 1.00 0.00 WT3 O ATOM 47222 H1 TIP3 8871 66.086 61.277 -3.167 1.00 0.00 WT3 H ATOM 47223 H2 TIP3 8871 66.860 60.135 -2.543 1.00 0.00 WT3 H ATOM 47224 OH2 TIP3 8878 42.298 59.891 50.733 1.00 0.00 WT3 O ATOM 47225 H1 TIP3 8878 41.773 60.640 51.015 1.00 0.00 WT3 H ATOM 47226 H2 TIP3 8878 42.369 59.991 49.784 1.00 0.00 WT3 H ATOM 47227 OH2 TIP3 8879 80.558 36.636 54.172 1.00 0.00 WT3 O ATOM 47228 H1 TIP3 8879 81.513 36.685 54.208 1.00 0.00 WT3 H ATOM 47229 H2 TIP3 8879 80.264 37.078 54.969 1.00 0.00 WT3 H ATOM 47230 OH2 TIP3 8881 24.595 55.704 -0.999 1.00 0.00 WT3 O ATOM 47231 H1 TIP3 8881 25.301 55.153 -0.662 1.00 0.00 WT3 H ATOM 47232 H2 TIP3 8881 23.929 55.688 -0.312 1.00 0.00 WT3 H ATOM 47233 OH2 TIP3 8882 72.871 45.705 48.940 1.00 0.00 WT3 O ATOM 47234 H1 TIP3 8882 73.687 45.857 49.416 1.00 0.00 WT3 H ATOM 47235 H2 TIP3 8882 73.149 45.509 48.045 1.00 0.00 WT3 H ATOM 47236 OH2 TIP3 8883 65.911 39.866 9.204 1.00 0.00 WT3 O ATOM 47237 H1 TIP3 8883 66.076 40.486 9.914 1.00 0.00 WT3 H ATOM 47238 H2 TIP3 8883 64.964 39.905 9.066 1.00 0.00 WT3 H ATOM 47239 OH2 TIP3 8884 31.576 30.277 -0.555 1.00 0.00 WT3 O ATOM 47240 H1 TIP3 8884 30.794 29.907 -0.144 1.00 0.00 WT3 H ATOM 47241 H2 TIP3 8884 31.282 31.112 -0.919 1.00 0.00 WT3 H ATOM 47242 OH2 TIP3 8885 65.330 85.669 22.916 1.00 0.00 WT3 O ATOM 47243 H1 TIP3 8885 64.804 84.948 23.263 1.00 0.00 WT3 H ATOM 47244 H2 TIP3 8885 64.705 86.210 22.434 1.00 0.00 WT3 H ATOM 47245 OH2 TIP3 8886 61.729 48.976 -15.776 1.00 0.00 WT3 O ATOM 47246 H1 TIP3 8886 61.186 49.658 -15.382 1.00 0.00 WT3 H ATOM 47247 H2 TIP3 8886 62.262 48.646 -15.053 1.00 0.00 WT3 H ATOM 47248 OH2 TIP3 8887 22.094 5.798 -13.910 1.00 0.00 WT3 O ATOM 47249 H1 TIP3 8887 21.593 6.263 -14.579 1.00 0.00 WT3 H ATOM 47250 H2 TIP3 8887 22.257 4.934 -14.289 1.00 0.00 WT3 H ATOM 47251 OH2 TIP3 8888 38.757 37.385 -5.073 1.00 0.00 WT3 O ATOM 47252 H1 TIP3 8888 38.641 36.879 -4.269 1.00 0.00 WT3 H ATOM 47253 H2 TIP3 8888 39.407 38.050 -4.846 1.00 0.00 WT3 H ATOM 47254 OH2 TIP3 8893 43.157 52.556 66.365 1.00 0.00 WT3 O ATOM 47255 H1 TIP3 8893 44.103 52.425 66.293 1.00 0.00 WT3 H ATOM 47256 H2 TIP3 8893 42.806 51.680 66.529 1.00 0.00 WT3 H ATOM 47257 OH2 TIP3 8894 42.826 86.732 22.191 1.00 0.00 WT3 O ATOM 47258 H1 TIP3 8894 42.629 85.883 22.588 1.00 0.00 WT3 H ATOM 47259 H2 TIP3 8894 43.455 86.533 21.498 1.00 0.00 WT3 H ATOM 47260 OH2 TIP3 8895 77.622 59.638 -18.832 1.00 0.00 WT3 O ATOM 47261 H1 TIP3 8895 77.689 59.776 -17.887 1.00 0.00 WT3 H ATOM 47262 H2 TIP3 8895 78.515 59.434 -19.108 1.00 0.00 WT3 H ATOM 47263 OH2 TIP3 8896 29.299 92.264 -19.408 1.00 0.00 WT3 O ATOM 47264 H1 TIP3 8896 28.937 91.457 -19.042 1.00 0.00 WT3 H ATOM 47265 H2 TIP3 8896 30.178 92.325 -19.034 1.00 0.00 WT3 H ATOM 47266 OH2 TIP3 8897 85.516 12.430 -10.735 1.00 0.00 WT3 O ATOM 47267 H1 TIP3 8897 85.567 11.536 -11.074 1.00 0.00 WT3 H ATOM 47268 H2 TIP3 8897 86.331 12.842 -11.023 1.00 0.00 WT3 H ATOM 47269 OH2 TIP3 8898 34.156 69.963 54.986 1.00 0.00 WT3 O ATOM 47270 H1 TIP3 8898 34.261 70.595 54.275 1.00 0.00 WT3 H ATOM 47271 H2 TIP3 8898 33.360 70.241 55.439 1.00 0.00 WT3 H ATOM 47272 OH2 TIP3 8899 67.284 38.432 60.219 1.00 0.00 WT3 O ATOM 47273 H1 TIP3 8899 67.873 37.758 60.558 1.00 0.00 WT3 H ATOM 47274 H2 TIP3 8899 67.148 39.025 60.958 1.00 0.00 WT3 H ATOM 47275 OH2 TIP3 8900 52.484 89.668 53.873 1.00 0.00 WT3 O ATOM 47276 H1 TIP3 8900 53.074 89.508 53.136 1.00 0.00 WT3 H ATOM 47277 H2 TIP3 8900 51.607 89.541 53.510 1.00 0.00 WT3 H ATOM 47278 OH2 TIP3 8901 31.319 8.894 1.962 1.00 0.00 WT3 O ATOM 47279 H1 TIP3 8901 32.192 8.552 1.766 1.00 0.00 WT3 H ATOM 47280 H2 TIP3 8901 31.074 8.471 2.784 1.00 0.00 WT3 H ATOM 47281 OH2 TIP3 8902 50.072 38.649 29.243 1.00 0.00 WT3 O ATOM 47282 H1 TIP3 8902 50.480 39.116 28.514 1.00 0.00 WT3 H ATOM 47283 H2 TIP3 8902 49.384 38.123 28.836 1.00 0.00 WT3 H ATOM 47284 OH2 TIP3 8903 68.341 39.371 -3.670 1.00 0.00 WT3 O ATOM 47285 H1 TIP3 8903 67.599 39.285 -3.072 1.00 0.00 WT3 H ATOM 47286 H2 TIP3 8903 68.076 40.057 -4.284 1.00 0.00 WT3 H ATOM 47287 OH2 TIP3 8904 85.065 63.093 50.884 1.00 0.00 WT3 O ATOM 47288 H1 TIP3 8904 84.627 63.118 50.033 1.00 0.00 WT3 H ATOM 47289 H2 TIP3 8904 85.033 62.172 51.142 1.00 0.00 WT3 H ATOM 47290 OH2 TIP3 8905 75.077 1.473 10.861 1.00 0.00 WT3 O ATOM 47291 H1 TIP3 8905 74.879 2.179 11.475 1.00 0.00 WT3 H ATOM 47292 H2 TIP3 8905 75.029 0.675 11.388 1.00 0.00 WT3 H ATOM 47293 OH2 TIP3 8907 79.781 52.026 -2.737 1.00 0.00 WT3 O ATOM 47294 H1 TIP3 8907 79.364 52.772 -2.307 1.00 0.00 WT3 H ATOM 47295 H2 TIP3 8907 80.655 51.983 -2.348 1.00 0.00 WT3 H ATOM 47296 OH2 TIP3 8910 56.472 71.822 2.675 1.00 0.00 WT3 O ATOM 47297 H1 TIP3 8910 55.858 71.122 2.897 1.00 0.00 WT3 H ATOM 47298 H2 TIP3 8910 56.790 72.139 3.520 1.00 0.00 WT3 H ATOM 47299 OH2 TIP3 8911 78.268 28.425 4.552 1.00 0.00 WT3 O ATOM 47300 H1 TIP3 8911 78.588 29.093 5.158 1.00 0.00 WT3 H ATOM 47301 H2 TIP3 8911 78.013 27.693 5.114 1.00 0.00 WT3 H ATOM 47302 OH2 TIP3 8912 73.909 23.412 -16.664 1.00 0.00 WT3 O ATOM 47303 H1 TIP3 8912 73.877 23.370 -17.620 1.00 0.00 WT3 H ATOM 47304 H2 TIP3 8912 74.762 23.043 -16.436 1.00 0.00 WT3 H ATOM 47305 OH2 TIP3 8913 48.934 57.520 -14.443 1.00 0.00 WT3 O ATOM 47306 H1 TIP3 8913 48.960 58.157 -13.729 1.00 0.00 WT3 H ATOM 47307 H2 TIP3 8913 49.078 58.039 -15.233 1.00 0.00 WT3 H ATOM 47308 OH2 TIP3 8914 65.362 94.769 -8.322 1.00 0.00 WT3 O ATOM 47309 H1 TIP3 8914 65.474 95.369 -7.585 1.00 0.00 WT3 H ATOM 47310 H2 TIP3 8914 65.843 95.179 -9.041 1.00 0.00 WT3 H ATOM 47311 OH2 TIP3 8915 24.364 79.003 12.520 1.00 0.00 WT3 O ATOM 47312 H1 TIP3 8915 24.691 78.243 13.000 1.00 0.00 WT3 H ATOM 47313 H2 TIP3 8915 23.750 79.422 13.123 1.00 0.00 WT3 H ATOM 47314 OH2 TIP3 8917 75.906 82.012 49.819 1.00 0.00 WT3 O ATOM 47315 H1 TIP3 8917 75.348 82.215 49.068 1.00 0.00 WT3 H ATOM 47316 H2 TIP3 8917 75.872 81.059 49.894 1.00 0.00 WT3 H ATOM 47317 OH2 TIP3 8918 84.544 78.605 29.914 1.00 0.00 WT3 O ATOM 47318 H1 TIP3 8918 84.853 77.782 29.538 1.00 0.00 WT3 H ATOM 47319 H2 TIP3 8918 83.671 78.728 29.541 1.00 0.00 WT3 H ATOM 47320 OH2 TIP3 8919 32.439 76.578 0.955 1.00 0.00 WT3 O ATOM 47321 H1 TIP3 8919 31.906 77.262 1.359 1.00 0.00 WT3 H ATOM 47322 H2 TIP3 8919 32.958 77.037 0.295 1.00 0.00 WT3 H ATOM 47323 OH2 TIP3 8920 32.604 58.365 40.926 1.00 0.00 WT3 O ATOM 47324 H1 TIP3 8920 33.330 58.695 41.456 1.00 0.00 WT3 H ATOM 47325 H2 TIP3 8920 32.935 58.383 40.028 1.00 0.00 WT3 H ATOM 47326 OH2 TIP3 8921 36.258 56.825 31.381 1.00 0.00 WT3 O ATOM 47327 H1 TIP3 8921 37.128 57.175 31.574 1.00 0.00 WT3 H ATOM 47328 H2 TIP3 8921 36.197 56.848 30.426 1.00 0.00 WT3 H ATOM 47329 OH2 TIP3 8922 37.730 64.610 33.508 1.00 0.00 WT3 O ATOM 47330 H1 TIP3 8922 37.963 65.465 33.869 1.00 0.00 WT3 H ATOM 47331 H2 TIP3 8922 38.538 64.292 33.104 1.00 0.00 WT3 H ATOM 47332 OH2 TIP3 8923 25.652 79.380 43.484 1.00 0.00 WT3 O ATOM 47333 H1 TIP3 8923 25.970 80.273 43.355 1.00 0.00 WT3 H ATOM 47334 H2 TIP3 8923 26.443 78.865 43.644 1.00 0.00 WT3 H ATOM 47335 OH2 TIP3 8924 40.680 78.213 -15.555 1.00 0.00 WT3 O ATOM 47336 H1 TIP3 8924 40.680 77.271 -15.726 1.00 0.00 WT3 H ATOM 47337 H2 TIP3 8924 39.897 78.360 -15.025 1.00 0.00 WT3 H ATOM 47338 OH2 TIP3 8926 29.307 92.092 1.857 1.00 0.00 WT3 O ATOM 47339 H1 TIP3 8926 28.753 92.511 2.515 1.00 0.00 WT3 H ATOM 47340 H2 TIP3 8926 29.310 92.703 1.120 1.00 0.00 WT3 H ATOM 47341 OH2 TIP3 8927 87.162 39.704 -9.531 1.00 0.00 WT3 O ATOM 47342 H1 TIP3 8927 87.621 39.295 -8.797 1.00 0.00 WT3 H ATOM 47343 H2 TIP3 8927 86.397 40.120 -9.134 1.00 0.00 WT3 H ATOM 47344 OH2 TIP3 8928 47.087 79.424 66.085 1.00 0.00 WT3 O ATOM 47345 H1 TIP3 8928 46.389 79.203 65.469 1.00 0.00 WT3 H ATOM 47346 H2 TIP3 8928 47.215 78.627 66.599 1.00 0.00 WT3 H ATOM 47347 OH2 TIP3 8929 61.178 34.545 15.333 1.00 0.00 WT3 O ATOM 47348 H1 TIP3 8929 60.384 35.063 15.203 1.00 0.00 WT3 H ATOM 47349 H2 TIP3 8929 61.059 33.778 14.772 1.00 0.00 WT3 H ATOM 47350 OH2 TIP3 8930 32.639 77.143 32.834 1.00 0.00 WT3 O ATOM 47351 H1 TIP3 8930 32.620 77.655 33.643 1.00 0.00 WT3 H ATOM 47352 H2 TIP3 8930 33.517 76.764 32.810 1.00 0.00 WT3 H ATOM 47353 OH2 TIP3 8931 57.996 48.899 56.611 1.00 0.00 WT3 O ATOM 47354 H1 TIP3 8931 57.503 49.306 55.898 1.00 0.00 WT3 H ATOM 47355 H2 TIP3 8931 58.471 48.180 56.194 1.00 0.00 WT3 H ATOM 47356 OH2 TIP3 8932 44.018 90.879 26.261 1.00 0.00 WT3 O ATOM 47357 H1 TIP3 8932 44.651 90.167 26.172 1.00 0.00 WT3 H ATOM 47358 H2 TIP3 8932 43.579 90.918 25.411 1.00 0.00 WT3 H ATOM 47359 OH2 TIP3 8933 46.632 26.633 31.028 1.00 0.00 WT3 O ATOM 47360 H1 TIP3 8933 46.984 26.682 30.139 1.00 0.00 WT3 H ATOM 47361 H2 TIP3 8933 45.861 26.072 30.950 1.00 0.00 WT3 H ATOM 47362 OH2 TIP3 8934 66.869 92.565 24.645 1.00 0.00 WT3 O ATOM 47363 H1 TIP3 8934 67.598 92.035 24.968 1.00 0.00 WT3 H ATOM 47364 H2 TIP3 8934 66.114 92.269 25.155 1.00 0.00 WT3 H ATOM 47365 OH2 TIP3 8935 34.610 56.167 -4.241 1.00 0.00 WT3 O ATOM 47366 H1 TIP3 8935 34.047 56.682 -3.664 1.00 0.00 WT3 H ATOM 47367 H2 TIP3 8935 34.608 55.289 -3.859 1.00 0.00 WT3 H ATOM 47368 OH2 TIP3 8936 55.855 85.429 65.697 1.00 0.00 WT3 O ATOM 47369 H1 TIP3 8936 55.893 84.913 66.503 1.00 0.00 WT3 H ATOM 47370 H2 TIP3 8936 55.091 85.090 65.231 1.00 0.00 WT3 H ATOM 47371 OH2 TIP3 8937 77.479 13.957 42.581 1.00 0.00 WT3 O ATOM 47372 H1 TIP3 8937 78.022 13.449 41.978 1.00 0.00 WT3 H ATOM 47373 H2 TIP3 8937 76.589 13.638 42.428 1.00 0.00 WT3 H ATOM 47374 OH2 TIP3 8938 22.652 31.862 45.704 1.00 0.00 WT3 O ATOM 47375 H1 TIP3 8938 23.146 31.925 46.521 1.00 0.00 WT3 H ATOM 47376 H2 TIP3 8938 23.314 31.685 45.036 1.00 0.00 WT3 H ATOM 47377 OH2 TIP3 8939 41.974 2.141 7.707 1.00 0.00 WT3 O ATOM 47378 H1 TIP3 8939 41.032 2.173 7.535 1.00 0.00 WT3 H ATOM 47379 H2 TIP3 8939 42.335 1.646 6.972 1.00 0.00 WT3 H ATOM 47380 OH2 TIP3 8940 43.740 72.364 -12.342 1.00 0.00 WT3 O ATOM 47381 H1 TIP3 8940 44.089 72.676 -11.507 1.00 0.00 WT3 H ATOM 47382 H2 TIP3 8940 43.089 71.706 -12.098 1.00 0.00 WT3 H ATOM 47383 OH2 TIP3 8941 49.253 93.261 65.425 1.00 0.00 WT3 O ATOM 47384 H1 TIP3 8941 49.974 93.276 64.796 1.00 0.00 WT3 H ATOM 47385 H2 TIP3 8941 49.144 92.335 65.642 1.00 0.00 WT3 H ATOM 47386 OH2 TIP3 8942 49.414 6.851 39.548 1.00 0.00 WT3 O ATOM 47387 H1 TIP3 8942 48.939 6.507 38.792 1.00 0.00 WT3 H ATOM 47388 H2 TIP3 8942 50.336 6.691 39.345 1.00 0.00 WT3 H ATOM 47389 OH2 TIP3 8943 25.361 26.063 0.061 1.00 0.00 WT3 O ATOM 47390 H1 TIP3 8943 25.808 25.528 -0.596 1.00 0.00 WT3 H ATOM 47391 H2 TIP3 8943 25.200 26.897 -0.379 1.00 0.00 WT3 H ATOM 47392 OH2 TIP3 8944 37.276 93.684 36.957 1.00 0.00 WT3 O ATOM 47393 H1 TIP3 8944 36.585 93.049 37.144 1.00 0.00 WT3 H ATOM 47394 H2 TIP3 8944 37.030 94.065 36.114 1.00 0.00 WT3 H ATOM 47395 OH2 TIP3 8945 69.657 2.761 -17.156 1.00 0.00 WT3 O ATOM 47396 H1 TIP3 8945 68.937 3.367 -16.980 1.00 0.00 WT3 H ATOM 47397 H2 TIP3 8945 70.037 2.583 -16.295 1.00 0.00 WT3 H ATOM 47398 OH2 TIP3 8946 39.206 1.570 44.159 1.00 0.00 WT3 O ATOM 47399 H1 TIP3 8946 39.383 1.195 43.296 1.00 0.00 WT3 H ATOM 47400 H2 TIP3 8946 38.264 1.740 44.159 1.00 0.00 WT3 H ATOM 47401 OH2 TIP3 8947 46.709 42.326 -12.589 1.00 0.00 WT3 O ATOM 47402 H1 TIP3 8947 47.463 42.183 -13.161 1.00 0.00 WT3 H ATOM 47403 H2 TIP3 8947 46.066 41.676 -12.872 1.00 0.00 WT3 H ATOM 47404 OH2 TIP3 8948 47.025 73.046 -19.406 1.00 0.00 WT3 O ATOM 47405 H1 TIP3 8948 47.735 72.514 -19.047 1.00 0.00 WT3 H ATOM 47406 H2 TIP3 8948 47.022 72.841 -20.341 1.00 0.00 WT3 H ATOM 47407 OH2 TIP3 8949 42.849 94.684 0.370 1.00 0.00 WT3 O ATOM 47408 H1 TIP3 8949 42.272 94.522 1.118 1.00 0.00 WT3 H ATOM 47409 H2 TIP3 8949 42.445 94.202 -0.352 1.00 0.00 WT3 H ATOM 47410 OH2 TIP3 8951 25.095 81.964 -18.065 1.00 0.00 WT3 O ATOM 47411 H1 TIP3 8951 25.528 81.575 -18.826 1.00 0.00 WT3 H ATOM 47412 H2 TIP3 8951 24.307 81.435 -17.941 1.00 0.00 WT3 H ATOM 47413 OH2 TIP3 8952 26.500 71.799 31.234 1.00 0.00 WT3 O ATOM 47414 H1 TIP3 8952 26.463 71.797 30.278 1.00 0.00 WT3 H ATOM 47415 H2 TIP3 8952 27.163 72.456 31.447 1.00 0.00 WT3 H ATOM 47416 OH2 TIP3 8953 55.351 6.058 23.615 1.00 0.00 WT3 O ATOM 47417 H1 TIP3 8953 55.086 6.732 24.240 1.00 0.00 WT3 H ATOM 47418 H2 TIP3 8953 55.377 6.510 22.771 1.00 0.00 WT3 H ATOM 47419 OH2 TIP3 8954 60.776 4.601 0.988 1.00 0.00 WT3 O ATOM 47420 H1 TIP3 8954 59.965 4.094 0.946 1.00 0.00 WT3 H ATOM 47421 H2 TIP3 8954 60.757 5.151 0.206 1.00 0.00 WT3 H ATOM 47422 OH2 TIP3 8956 36.166 94.821 34.722 1.00 0.00 WT3 O ATOM 47423 H1 TIP3 8956 35.639 94.163 34.268 1.00 0.00 WT3 H ATOM 47424 H2 TIP3 8956 36.761 95.156 34.051 1.00 0.00 WT3 H ATOM 47425 OH2 TIP3 8958 74.620 82.895 61.259 1.00 0.00 WT3 O ATOM 47426 H1 TIP3 8958 74.640 83.684 61.800 1.00 0.00 WT3 H ATOM 47427 H2 TIP3 8958 73.982 82.325 61.688 1.00 0.00 WT3 H ATOM 47428 OH2 TIP3 8959 55.614 91.419 33.545 1.00 0.00 WT3 O ATOM 47429 H1 TIP3 8959 54.823 91.140 33.083 1.00 0.00 WT3 H ATOM 47430 H2 TIP3 8959 55.698 90.802 34.272 1.00 0.00 WT3 H ATOM 47431 OH2 TIP3 8960 31.840 82.884 47.099 1.00 0.00 WT3 O ATOM 47432 H1 TIP3 8960 30.950 82.625 47.335 1.00 0.00 WT3 H ATOM 47433 H2 TIP3 8960 32.037 82.376 46.311 1.00 0.00 WT3 H ATOM 47434 OH2 TIP3 8961 32.376 72.647 46.589 1.00 0.00 WT3 O ATOM 47435 H1 TIP3 8961 32.810 72.805 45.751 1.00 0.00 WT3 H ATOM 47436 H2 TIP3 8961 33.092 72.575 47.220 1.00 0.00 WT3 H ATOM 47437 OH2 TIP3 8962 75.878 43.246 46.865 1.00 0.00 WT3 O ATOM 47438 H1 TIP3 8962 75.635 43.057 47.772 1.00 0.00 WT3 H ATOM 47439 H2 TIP3 8962 75.902 42.389 46.439 1.00 0.00 WT3 H ATOM 47440 OH2 TIP3 8965 30.054 81.348 6.975 1.00 0.00 WT3 O ATOM 47441 H1 TIP3 8965 29.569 81.236 7.792 1.00 0.00 WT3 H ATOM 47442 H2 TIP3 8965 30.547 80.534 6.874 1.00 0.00 WT3 H ATOM 47443 OH2 TIP3 8966 63.337 3.999 1.835 1.00 0.00 WT3 O ATOM 47444 H1 TIP3 8966 63.450 3.964 2.785 1.00 0.00 WT3 H ATOM 47445 H2 TIP3 8966 62.414 4.224 1.711 1.00 0.00 WT3 H ATOM 47446 OH2 TIP3 8969 34.577 89.518 64.180 1.00 0.00 WT3 O ATOM 47447 H1 TIP3 8969 34.443 89.938 65.029 1.00 0.00 WT3 H ATOM 47448 H2 TIP3 8969 34.731 90.244 63.575 1.00 0.00 WT3 H ATOM 47449 OH2 TIP3 8970 79.063 87.145 47.514 1.00 0.00 WT3 O ATOM 47450 H1 TIP3 8970 78.147 87.205 47.242 1.00 0.00 WT3 H ATOM 47451 H2 TIP3 8970 79.033 87.202 48.469 1.00 0.00 WT3 H ATOM 47452 OH2 TIP3 8971 88.097 82.526 31.680 1.00 0.00 WT3 O ATOM 47453 H1 TIP3 8971 87.445 82.029 31.186 1.00 0.00 WT3 H ATOM 47454 H2 TIP3 8971 87.886 83.443 31.501 1.00 0.00 WT3 H ATOM 47455 OH2 TIP3 8972 55.470 32.681 -12.227 1.00 0.00 WT3 O ATOM 47456 H1 TIP3 8972 55.631 32.948 -13.132 1.00 0.00 WT3 H ATOM 47457 H2 TIP3 8972 54.703 33.189 -11.960 1.00 0.00 WT3 H ATOM 47458 OH2 TIP3 8973 77.088 1.854 15.231 1.00 0.00 WT3 O ATOM 47459 H1 TIP3 8973 77.153 2.749 14.899 1.00 0.00 WT3 H ATOM 47460 H2 TIP3 8973 77.560 1.324 14.588 1.00 0.00 WT3 H ATOM 47461 OH2 TIP3 8974 23.668 12.236 55.226 1.00 0.00 WT3 O ATOM 47462 H1 TIP3 8974 22.877 12.750 55.388 1.00 0.00 WT3 H ATOM 47463 H2 TIP3 8974 23.346 11.356 55.029 1.00 0.00 WT3 H ATOM 47464 OH2 TIP3 8975 38.578 44.082 18.507 1.00 0.00 WT3 O ATOM 47465 H1 TIP3 8975 38.645 44.879 19.034 1.00 0.00 WT3 H ATOM 47466 H2 TIP3 8975 38.554 44.395 17.602 1.00 0.00 WT3 H ATOM 47467 OH2 TIP3 8976 38.120 87.375 36.004 1.00 0.00 WT3 O ATOM 47468 H1 TIP3 8976 38.969 87.003 36.243 1.00 0.00 WT3 H ATOM 47469 H2 TIP3 8976 37.894 86.947 35.178 1.00 0.00 WT3 H ATOM 47470 OH2 TIP3 8977 35.039 86.570 -7.256 1.00 0.00 WT3 O ATOM 47471 H1 TIP3 8977 35.479 85.937 -6.689 1.00 0.00 WT3 H ATOM 47472 H2 TIP3 8977 34.256 86.115 -7.563 1.00 0.00 WT3 H ATOM 47473 OH2 TIP3 8978 31.399 16.508 -14.669 1.00 0.00 WT3 O ATOM 47474 H1 TIP3 8978 31.600 15.738 -14.136 1.00 0.00 WT3 H ATOM 47475 H2 TIP3 8978 31.674 16.266 -15.553 1.00 0.00 WT3 H ATOM 47476 OH2 TIP3 8979 68.019 65.680 37.235 1.00 0.00 WT3 O ATOM 47477 H1 TIP3 8979 68.728 65.110 36.939 1.00 0.00 WT3 H ATOM 47478 H2 TIP3 8979 67.421 65.726 36.490 1.00 0.00 WT3 H ATOM 47479 OH2 TIP3 8980 20.526 27.741 62.893 1.00 0.00 WT3 O ATOM 47480 H1 TIP3 8980 19.908 27.071 63.186 1.00 0.00 WT3 H ATOM 47481 H2 TIP3 8980 20.905 28.087 63.701 1.00 0.00 WT3 H ATOM 47482 OH2 TIP3 8981 74.180 89.878 21.897 1.00 0.00 WT3 O ATOM 47483 H1 TIP3 8981 74.842 90.526 21.654 1.00 0.00 WT3 H ATOM 47484 H2 TIP3 8981 74.681 89.093 22.117 1.00 0.00 WT3 H ATOM 47485 OH2 TIP3 8982 77.786 69.979 28.320 1.00 0.00 WT3 O ATOM 47486 H1 TIP3 8982 77.514 69.645 27.466 1.00 0.00 WT3 H ATOM 47487 H2 TIP3 8982 77.586 70.915 28.286 1.00 0.00 WT3 H ATOM 47488 OH2 TIP3 8983 59.300 3.980 10.077 1.00 0.00 WT3 O ATOM 47489 H1 TIP3 8983 58.552 3.861 9.492 1.00 0.00 WT3 H ATOM 47490 H2 TIP3 8983 59.535 3.093 10.350 1.00 0.00 WT3 H ATOM 47491 OH2 TIP3 8984 68.293 50.606 33.598 1.00 0.00 WT3 O ATOM 47492 H1 TIP3 8984 67.825 51.339 33.998 1.00 0.00 WT3 H ATOM 47493 H2 TIP3 8984 67.606 49.979 33.368 1.00 0.00 WT3 H ATOM 47494 OH2 TIP3 8985 73.801 29.191 62.874 1.00 0.00 WT3 O ATOM 47495 H1 TIP3 8985 73.017 29.707 63.062 1.00 0.00 WT3 H ATOM 47496 H2 TIP3 8985 73.879 29.213 61.920 1.00 0.00 WT3 H ATOM 47497 OH2 TIP3 8986 73.868 30.419 5.882 1.00 0.00 WT3 O ATOM 47498 H1 TIP3 8986 73.774 31.273 6.302 1.00 0.00 WT3 H ATOM 47499 H2 TIP3 8986 73.600 29.790 6.552 1.00 0.00 WT3 H ATOM 47500 OH2 TIP3 8987 22.900 9.372 54.594 1.00 0.00 WT3 O ATOM 47501 H1 TIP3 8987 22.437 9.553 55.412 1.00 0.00 WT3 H ATOM 47502 H2 TIP3 8987 23.773 9.091 54.870 1.00 0.00 WT3 H ATOM 47503 OH2 TIP3 8988 56.984 95.406 2.183 1.00 0.00 WT3 O ATOM 47504 H1 TIP3 8988 57.399 94.673 2.638 1.00 0.00 WT3 H ATOM 47505 H2 TIP3 8988 56.052 95.188 2.177 1.00 0.00 WT3 H ATOM 47506 OH2 TIP3 8992 31.121 70.864 36.035 1.00 0.00 WT3 O ATOM 47507 H1 TIP3 8992 30.268 70.925 35.605 1.00 0.00 WT3 H ATOM 47508 H2 TIP3 8992 31.755 70.937 35.322 1.00 0.00 WT3 H ATOM 47509 OH2 TIP3 8993 78.605 76.370 53.674 1.00 0.00 WT3 O ATOM 47510 H1 TIP3 8993 77.737 76.503 54.055 1.00 0.00 WT3 H ATOM 47511 H2 TIP3 8993 78.497 76.588 52.748 1.00 0.00 WT3 H ATOM 47512 OH2 TIP3 8995 52.121 87.746 44.276 1.00 0.00 WT3 O ATOM 47513 H1 TIP3 8995 51.531 87.706 43.522 1.00 0.00 WT3 H ATOM 47514 H2 TIP3 8995 51.561 88.016 45.004 1.00 0.00 WT3 H ATOM 47515 OH2 TIP3 8996 85.103 26.271 40.058 1.00 0.00 WT3 O ATOM 47516 H1 TIP3 8996 85.653 26.200 40.838 1.00 0.00 WT3 H ATOM 47517 H2 TIP3 8996 84.330 26.754 40.353 1.00 0.00 WT3 H ATOM 47518 OH2 TIP3 8997 32.210 9.089 46.970 1.00 0.00 WT3 O ATOM 47519 H1 TIP3 8997 32.058 9.181 47.911 1.00 0.00 WT3 H ATOM 47520 H2 TIP3 8997 32.883 8.413 46.900 1.00 0.00 WT3 H ATOM 47521 OH2 TIP3 8998 69.989 20.649 -13.057 1.00 0.00 WT3 O ATOM 47522 H1 TIP3 8998 69.582 20.938 -12.240 1.00 0.00 WT3 H ATOM 47523 H2 TIP3 8998 70.665 21.303 -13.233 1.00 0.00 WT3 H ATOM 47524 OH2 TIP3 9001 27.432 46.596 14.229 1.00 0.00 WT3 O ATOM 47525 H1 TIP3 9001 27.583 46.457 15.164 1.00 0.00 WT3 H ATOM 47526 H2 TIP3 9001 28.173 47.131 13.943 1.00 0.00 WT3 H ATOM 47527 OH2 TIP3 9003 81.778 30.435 25.371 1.00 0.00 WT3 O ATOM 47528 H1 TIP3 9003 82.173 30.133 26.189 1.00 0.00 WT3 H ATOM 47529 H2 TIP3 9003 81.690 31.381 25.481 1.00 0.00 WT3 H ATOM 47530 OH2 TIP3 9004 29.158 90.787 19.035 1.00 0.00 WT3 O ATOM 47531 H1 TIP3 9004 28.333 90.584 18.595 1.00 0.00 WT3 H ATOM 47532 H2 TIP3 9004 29.108 90.316 19.867 1.00 0.00 WT3 H ATOM 47533 OH2 TIP3 9006 54.243 21.793 32.792 1.00 0.00 WT3 O ATOM 47534 H1 TIP3 9006 55.015 21.417 32.370 1.00 0.00 WT3 H ATOM 47535 H2 TIP3 9006 53.547 21.707 32.140 1.00 0.00 WT3 H ATOM 47536 OH2 TIP3 9008 64.381 30.085 -19.482 1.00 0.00 WT3 O ATOM 47537 H1 TIP3 9008 64.765 29.257 -19.193 1.00 0.00 WT3 H ATOM 47538 H2 TIP3 9008 63.436 29.949 -19.412 1.00 0.00 WT3 H ATOM 47539 OH2 TIP3 9009 23.945 57.241 26.498 1.00 0.00 WT3 O ATOM 47540 H1 TIP3 9009 23.468 58.012 26.808 1.00 0.00 WT3 H ATOM 47541 H2 TIP3 9009 23.640 57.116 25.600 1.00 0.00 WT3 H ATOM 47542 OH2 TIP3 9010 61.086 29.599 66.683 1.00 0.00 WT3 O ATOM 47543 H1 TIP3 9010 60.981 30.517 66.934 1.00 0.00 WT3 H ATOM 47544 H2 TIP3 9010 60.533 29.117 67.298 1.00 0.00 WT3 H ATOM 47545 OH2 TIP3 9014 54.435 24.070 -6.998 1.00 0.00 WT3 O ATOM 47546 H1 TIP3 9014 54.280 24.863 -6.485 1.00 0.00 WT3 H ATOM 47547 H2 TIP3 9014 55.030 23.548 -6.460 1.00 0.00 WT3 H ATOM 47548 OH2 TIP3 9015 82.879 53.913 16.947 1.00 0.00 WT3 O ATOM 47549 H1 TIP3 9015 82.509 54.603 17.497 1.00 0.00 WT3 H ATOM 47550 H2 TIP3 9015 83.818 54.099 16.928 1.00 0.00 WT3 H ATOM 47551 OH2 TIP3 9017 23.140 80.517 20.345 1.00 0.00 WT3 O ATOM 47552 H1 TIP3 9017 23.586 79.687 20.181 1.00 0.00 WT3 H ATOM 47553 H2 TIP3 9017 23.280 80.685 21.277 1.00 0.00 WT3 H ATOM 47554 OH2 TIP3 9018 23.335 36.805 63.778 1.00 0.00 WT3 O ATOM 47555 H1 TIP3 9018 24.292 36.825 63.801 1.00 0.00 WT3 H ATOM 47556 H2 TIP3 9018 23.076 37.726 63.745 1.00 0.00 WT3 H ATOM 47557 OH2 TIP3 9019 61.032 9.598 -1.376 1.00 0.00 WT3 O ATOM 47558 H1 TIP3 9019 61.046 10.191 -0.625 1.00 0.00 WT3 H ATOM 47559 H2 TIP3 9019 61.335 10.132 -2.110 1.00 0.00 WT3 H ATOM 47560 OH2 TIP3 9020 32.866 62.947 64.559 1.00 0.00 WT3 O ATOM 47561 H1 TIP3 9020 32.108 63.052 65.133 1.00 0.00 WT3 H ATOM 47562 H2 TIP3 9020 33.109 62.025 64.648 1.00 0.00 WT3 H ATOM 47563 OH2 TIP3 9022 70.758 49.792 35.367 1.00 0.00 WT3 O ATOM 47564 H1 TIP3 9022 70.404 49.072 35.890 1.00 0.00 WT3 H ATOM 47565 H2 TIP3 9022 70.088 49.960 34.705 1.00 0.00 WT3 H ATOM 47566 OH2 TIP3 9023 59.126 9.633 41.915 1.00 0.00 WT3 O ATOM 47567 H1 TIP3 9023 58.932 8.783 42.310 1.00 0.00 WT3 H ATOM 47568 H2 TIP3 9023 59.717 9.432 41.190 1.00 0.00 WT3 H ATOM 47569 OH2 TIP3 9024 39.095 46.106 20.372 1.00 0.00 WT3 O ATOM 47570 H1 TIP3 9024 39.930 46.546 20.215 1.00 0.00 WT3 H ATOM 47571 H2 TIP3 9024 39.217 45.649 21.204 1.00 0.00 WT3 H ATOM 47572 OH2 TIP3 9026 26.462 96.406 46.463 1.00 0.00 WT3 O ATOM 47573 H1 TIP3 9026 26.324 96.867 47.290 1.00 0.00 WT3 H ATOM 47574 H2 TIP3 9026 27.129 95.749 46.663 1.00 0.00 WT3 H ATOM 47575 OH2 TIP3 9027 61.345 53.817 20.160 1.00 0.00 WT3 O ATOM 47576 H1 TIP3 9027 61.364 53.794 19.203 1.00 0.00 WT3 H ATOM 47577 H2 TIP3 9027 60.660 54.451 20.372 1.00 0.00 WT3 H ATOM 47578 OH2 TIP3 9030 41.421 77.697 23.045 1.00 0.00 WT3 O ATOM 47579 H1 TIP3 9030 42.242 78.180 22.948 1.00 0.00 WT3 H ATOM 47580 H2 TIP3 9030 41.680 76.776 23.033 1.00 0.00 WT3 H ATOM 47581 OH2 TIP3 9039 87.713 81.070 46.603 1.00 0.00 WT3 O ATOM 47582 H1 TIP3 9039 88.203 80.428 46.089 1.00 0.00 WT3 H ATOM 47583 H2 TIP3 9039 88.295 81.828 46.658 1.00 0.00 WT3 H ATOM 47584 OH2 TIP3 9041 39.018 78.579 34.754 1.00 0.00 WT3 O ATOM 47585 H1 TIP3 9041 39.749 77.977 34.894 1.00 0.00 WT3 H ATOM 47586 H2 TIP3 9041 39.090 78.834 33.834 1.00 0.00 WT3 H ATOM 47587 OH2 TIP3 9042 89.111 90.792 25.889 1.00 0.00 WT3 O ATOM 47588 H1 TIP3 9042 88.470 91.237 26.443 1.00 0.00 WT3 H ATOM 47589 H2 TIP3 9042 89.267 91.400 25.166 1.00 0.00 WT3 H ATOM 47590 OH2 TIP3 9047 41.575 20.019 66.508 1.00 0.00 WT3 O ATOM 47591 H1 TIP3 9047 41.765 19.355 65.845 1.00 0.00 WT3 H ATOM 47592 H2 TIP3 9047 40.662 19.861 66.750 1.00 0.00 WT3 H ATOM 47593 OH2 TIP3 9050 31.049 82.802 2.515 1.00 0.00 WT3 O ATOM 47594 H1 TIP3 9050 30.929 82.017 3.050 1.00 0.00 WT3 H ATOM 47595 H2 TIP3 9050 31.638 82.526 1.813 1.00 0.00 WT3 H ATOM 47596 OH2 TIP3 9053 34.663 83.758 53.896 1.00 0.00 WT3 O ATOM 47597 H1 TIP3 9053 34.181 84.274 53.250 1.00 0.00 WT3 H ATOM 47598 H2 TIP3 9053 35.540 83.664 53.523 1.00 0.00 WT3 H ATOM 47599 OH2 TIP3 9054 46.410 57.075 1.632 1.00 0.00 WT3 O ATOM 47600 H1 TIP3 9054 46.788 57.287 2.485 1.00 0.00 WT3 H ATOM 47601 H2 TIP3 9054 45.517 56.791 1.829 1.00 0.00 WT3 H ATOM 47602 OH2 TIP3 9055 64.401 3.312 24.294 1.00 0.00 WT3 O ATOM 47603 H1 TIP3 9055 64.632 3.565 25.187 1.00 0.00 WT3 H ATOM 47604 H2 TIP3 9055 65.058 2.660 24.050 1.00 0.00 WT3 H ATOM 47605 OH2 TIP3 9057 60.665 61.807 43.517 1.00 0.00 WT3 O ATOM 47606 H1 TIP3 9057 60.537 62.254 42.680 1.00 0.00 WT3 H ATOM 47607 H2 TIP3 9057 60.100 61.037 43.466 1.00 0.00 WT3 H ATOM 47608 OH2 TIP3 9060 30.949 3.700 21.546 1.00 0.00 WT3 O ATOM 47609 H1 TIP3 9060 31.202 2.910 22.025 1.00 0.00 WT3 H ATOM 47610 H2 TIP3 9060 31.717 4.268 21.598 1.00 0.00 WT3 H ATOM 47611 OH2 TIP3 9061 83.368 43.188 2.031 1.00 0.00 WT3 O ATOM 47612 H1 TIP3 9061 83.452 44.092 1.725 1.00 0.00 WT3 H ATOM 47613 H2 TIP3 9061 82.512 43.158 2.458 1.00 0.00 WT3 H ATOM 47614 OH2 TIP3 9063 66.414 33.301 7.871 1.00 0.00 WT3 O ATOM 47615 H1 TIP3 9063 65.714 33.420 8.512 1.00 0.00 WT3 H ATOM 47616 H2 TIP3 9063 66.783 34.176 7.752 1.00 0.00 WT3 H ATOM 47617 OH2 TIP3 9066 40.534 7.450 -2.439 1.00 0.00 WT3 O ATOM 47618 H1 TIP3 9066 39.929 8.030 -2.902 1.00 0.00 WT3 H ATOM 47619 H2 TIP3 9066 39.967 6.833 -1.976 1.00 0.00 WT3 H ATOM 47620 OH2 TIP3 9067 80.582 18.076 -18.944 1.00 0.00 WT3 O ATOM 47621 H1 TIP3 9067 81.528 17.995 -19.067 1.00 0.00 WT3 H ATOM 47622 H2 TIP3 9067 80.429 17.772 -18.049 1.00 0.00 WT3 H ATOM 47623 OH2 TIP3 9070 58.119 89.840 -5.728 1.00 0.00 WT3 O ATOM 47624 H1 TIP3 9070 59.061 89.808 -5.559 1.00 0.00 WT3 H ATOM 47625 H2 TIP3 9070 57.718 89.784 -4.861 1.00 0.00 WT3 H ATOM 47626 OH2 TIP3 9072 85.909 68.206 -14.129 1.00 0.00 WT3 O ATOM 47627 H1 TIP3 9072 86.671 68.547 -13.662 1.00 0.00 WT3 H ATOM 47628 H2 TIP3 9072 85.288 67.975 -13.438 1.00 0.00 WT3 H ATOM 47629 OH2 TIP3 9082 85.999 86.236 60.251 1.00 0.00 WT3 O ATOM 47630 H1 TIP3 9082 85.774 86.584 61.114 1.00 0.00 WT3 H ATOM 47631 H2 TIP3 9082 86.622 85.532 60.432 1.00 0.00 WT3 H ATOM 47632 OH2 TIP3 9084 55.874 8.508 61.125 1.00 0.00 WT3 O ATOM 47633 H1 TIP3 9084 55.112 8.170 61.595 1.00 0.00 WT3 H ATOM 47634 H2 TIP3 9084 55.952 7.941 60.358 1.00 0.00 WT3 H ATOM 47635 OH2 TIP3 9090 87.930 65.697 65.443 1.00 0.00 WT3 O ATOM 47636 H1 TIP3 9090 87.498 64.891 65.728 1.00 0.00 WT3 H ATOM 47637 H2 TIP3 9090 87.399 66.399 65.819 1.00 0.00 WT3 H ATOM 47638 OH2 TIP3 9094 62.269 76.464 26.481 1.00 0.00 WT3 O ATOM 47639 H1 TIP3 9094 61.378 76.155 26.317 1.00 0.00 WT3 H ATOM 47640 H2 TIP3 9094 62.775 76.145 25.734 1.00 0.00 WT3 H ATOM 47641 OH2 TIP3 9096 67.754 75.582 13.534 1.00 0.00 WT3 O ATOM 47642 H1 TIP3 9096 66.907 75.137 13.574 1.00 0.00 WT3 H ATOM 47643 H2 TIP3 9096 67.959 75.623 12.600 1.00 0.00 WT3 H ATOM 47644 OH2 TIP3 9109 62.993 54.183 53.409 1.00 0.00 WT3 O ATOM 47645 H1 TIP3 9109 62.109 54.003 53.089 1.00 0.00 WT3 H ATOM 47646 H2 TIP3 9109 63.555 54.059 52.643 1.00 0.00 WT3 H ATOM 47647 OH2 TIP3 9117 86.643 22.378 34.035 1.00 0.00 WT3 O ATOM 47648 H1 TIP3 9117 86.687 23.251 34.424 1.00 0.00 WT3 H ATOM 47649 H2 TIP3 9117 86.169 22.505 33.213 1.00 0.00 WT3 H ATOM 47650 OH2 TIP3 9129 74.909 60.587 -9.322 1.00 0.00 WT3 O ATOM 47651 H1 TIP3 9129 74.410 61.013 -8.625 1.00 0.00 WT3 H ATOM 47652 H2 TIP3 9129 74.444 60.820 -10.126 1.00 0.00 WT3 H ATOM 47653 OH2 TIP3 9137 66.241 41.232 21.608 1.00 0.00 WT3 O ATOM 47654 H1 TIP3 9137 66.527 41.594 22.447 1.00 0.00 WT3 H ATOM 47655 H2 TIP3 9137 65.512 40.653 21.833 1.00 0.00 WT3 H ATOM 47656 OH2 TIP3 9146 64.693 10.209 43.750 1.00 0.00 WT3 O ATOM 47657 H1 TIP3 9146 64.958 9.366 43.383 1.00 0.00 WT3 H ATOM 47658 H2 TIP3 9146 63.980 10.504 43.183 1.00 0.00 WT3 H ATOM 47659 OH2 TIP3 9151 47.054 79.921 14.817 1.00 0.00 WT3 O ATOM 47660 H1 TIP3 9151 46.543 79.123 14.687 1.00 0.00 WT3 H ATOM 47661 H2 TIP3 9151 47.763 79.660 15.404 1.00 0.00 WT3 H ATOM 47662 OH2 TIP3 9165 77.337 58.166 -14.331 1.00 0.00 WT3 O ATOM 47663 H1 TIP3 9165 76.797 57.901 -13.586 1.00 0.00 WT3 H ATOM 47664 H2 TIP3 9165 78.183 58.393 -13.945 1.00 0.00 WT3 H ATOM 47665 OH2 TIP3 9168 36.633 39.377 -5.991 1.00 0.00 WT3 O ATOM 47666 H1 TIP3 9168 36.467 40.075 -5.357 1.00 0.00 WT3 H ATOM 47667 H2 TIP3 9168 37.276 38.812 -5.562 1.00 0.00 WT3 H ATOM 47668 OH2 TIP3 9169 86.424 40.244 18.747 1.00 0.00 WT3 O ATOM 47669 H1 TIP3 9169 86.837 39.934 17.941 1.00 0.00 WT3 H ATOM 47670 H2 TIP3 9169 86.148 39.445 19.197 1.00 0.00 WT3 H ATOM 47671 OH2 TIP3 9178 90.115 41.464 43.541 1.00 0.00 WT3 O ATOM 47672 H1 TIP3 9178 89.770 42.311 43.824 1.00 0.00 WT3 H ATOM 47673 H2 TIP3 9178 90.861 41.684 42.982 1.00 0.00 WT3 H ATOM 47674 OH2 TIP3 9201 34.474 90.480 54.469 1.00 0.00 WT3 O ATOM 47675 H1 TIP3 9201 35.223 90.698 53.916 1.00 0.00 WT3 H ATOM 47676 H2 TIP3 9201 34.638 90.944 55.290 1.00 0.00 WT3 H ATOM 47677 OH2 TIP3 9210 34.943 35.837 25.016 1.00 0.00 WT3 O ATOM 47678 H1 TIP3 9210 35.612 36.396 25.410 1.00 0.00 WT3 H ATOM 47679 H2 TIP3 9210 35.061 35.949 24.073 1.00 0.00 WT3 H ATOM 47680 OH2 TIP3 9212 89.431 63.533 31.332 1.00 0.00 WT3 O ATOM 47681 H1 TIP3 9212 89.250 62.593 31.343 1.00 0.00 WT3 H ATOM 47682 H2 TIP3 9212 88.583 63.942 31.507 1.00 0.00 WT3 H ATOM 47683 OH2 TIP3 9214 76.796 55.663 41.500 1.00 0.00 WT3 O ATOM 47684 H1 TIP3 9214 76.779 56.158 40.681 1.00 0.00 WT3 H ATOM 47685 H2 TIP3 9214 76.277 54.879 41.318 1.00 0.00 WT3 H ATOM 47686 OH2 TIP3 9226 73.251 52.059 -4.660 1.00 0.00 WT3 O ATOM 47687 H1 TIP3 9226 72.713 51.532 -4.069 1.00 0.00 WT3 H ATOM 47688 H2 TIP3 9226 73.345 52.900 -4.214 1.00 0.00 WT3 H ATOM 47689 OH2 TIP3 9230 46.102 81.180 57.423 1.00 0.00 WT3 O ATOM 47690 H1 TIP3 9230 46.268 80.238 57.418 1.00 0.00 WT3 H ATOM 47691 H2 TIP3 9230 45.154 81.257 57.536 1.00 0.00 WT3 H ATOM 47692 OH2 TIP3 9231 48.632 2.840 -9.197 1.00 0.00 WT3 O ATOM 47693 H1 TIP3 9231 48.255 3.595 -8.745 1.00 0.00 WT3 H ATOM 47694 H2 TIP3 9231 49.406 2.613 -8.681 1.00 0.00 WT3 H ATOM 47695 OH2 TIP3 9234 83.653 78.859 16.699 1.00 0.00 WT3 O ATOM 47696 H1 TIP3 9234 83.314 78.347 15.965 1.00 0.00 WT3 H ATOM 47697 H2 TIP3 9234 82.918 78.922 17.308 1.00 0.00 WT3 H ATOM 47698 OH2 TIP3 9240 24.237 83.900 12.547 1.00 0.00 WT3 O ATOM 47699 H1 TIP3 9240 24.169 84.340 13.394 1.00 0.00 WT3 H ATOM 47700 H2 TIP3 9240 23.688 83.121 12.636 1.00 0.00 WT3 H ATOM 47701 OH2 TIP3 9241 30.554 64.228 51.494 1.00 0.00 WT3 O ATOM 47702 H1 TIP3 9241 30.847 63.670 50.774 1.00 0.00 WT3 H ATOM 47703 H2 TIP3 9241 31.130 64.991 51.457 1.00 0.00 WT3 H ATOM 47704 OH2 TIP3 9243 49.213 90.435 56.431 1.00 0.00 WT3 O ATOM 47705 H1 TIP3 9243 49.459 89.537 56.211 1.00 0.00 WT3 H ATOM 47706 H2 TIP3 9243 48.273 90.477 56.253 1.00 0.00 WT3 H ATOM 47707 OH2 TIP3 9246 83.330 65.751 15.593 1.00 0.00 WT3 O ATOM 47708 H1 TIP3 9246 83.119 66.646 15.858 1.00 0.00 WT3 H ATOM 47709 H2 TIP3 9246 84.166 65.828 15.131 1.00 0.00 WT3 H ATOM 47710 OH2 TIP3 9250 36.876 56.035 -1.319 1.00 0.00 WT3 O ATOM 47711 H1 TIP3 9250 37.210 56.086 -2.215 1.00 0.00 WT3 H ATOM 47712 H2 TIP3 9250 36.984 56.920 -0.971 1.00 0.00 WT3 H ATOM 47713 OH2 TIP3 9252 36.917 76.534 57.564 1.00 0.00 WT3 O ATOM 47714 H1 TIP3 9252 37.068 77.297 57.006 1.00 0.00 WT3 H ATOM 47715 H2 TIP3 9252 37.519 75.869 57.230 1.00 0.00 WT3 H ATOM 47716 OH2 TIP3 9253 63.601 36.207 23.571 1.00 0.00 WT3 O ATOM 47717 H1 TIP3 9253 62.846 36.770 23.400 1.00 0.00 WT3 H ATOM 47718 H2 TIP3 9253 63.222 35.352 23.774 1.00 0.00 WT3 H ATOM 47719 OH2 TIP3 9255 66.085 68.686 0.392 1.00 0.00 WT3 O ATOM 47720 H1 TIP3 9255 66.226 68.551 -0.545 1.00 0.00 WT3 H ATOM 47721 H2 TIP3 9255 66.215 69.625 0.522 1.00 0.00 WT3 H ATOM 47722 OH2 TIP3 9257 80.963 50.047 37.082 1.00 0.00 WT3 O ATOM 47723 H1 TIP3 9257 81.254 49.375 36.465 1.00 0.00 WT3 H ATOM 47724 H2 TIP3 9257 81.720 50.624 37.182 1.00 0.00 WT3 H ATOM 47725 OH2 TIP3 9260 71.978 16.995 50.472 1.00 0.00 WT3 O ATOM 47726 H1 TIP3 9260 71.747 17.668 49.833 1.00 0.00 WT3 H ATOM 47727 H2 TIP3 9260 71.844 17.414 51.322 1.00 0.00 WT3 H ATOM 47728 OH2 TIP3 9261 69.105 70.053 -13.332 1.00 0.00 WT3 O ATOM 47729 H1 TIP3 9261 69.229 69.535 -14.128 1.00 0.00 WT3 H ATOM 47730 H2 TIP3 9261 69.211 69.425 -12.618 1.00 0.00 WT3 H ATOM 47731 OH2 TIP3 4 64.547 54.297 27.534 1.00 0.00 WT4 O ATOM 47732 H1 TIP3 4 63.639 54.019 27.416 1.00 0.00 WT4 H ATOM 47733 H2 TIP3 4 64.499 55.251 27.604 1.00 0.00 WT4 H ATOM 47734 OH2 TIP3 5 32.606 38.895 1.713 1.00 0.00 WT4 O ATOM 47735 H1 TIP3 5 33.318 38.586 2.273 1.00 0.00 WT4 H ATOM 47736 H2 TIP3 5 32.680 38.367 0.918 1.00 0.00 WT4 H ATOM 47737 OH2 TIP3 7 45.298 6.323 -13.776 1.00 0.00 WT4 O ATOM 47738 H1 TIP3 7 45.174 7.175 -14.195 1.00 0.00 WT4 H ATOM 47739 H2 TIP3 7 46.011 5.916 -14.268 1.00 0.00 WT4 H ATOM 47740 OH2 TIP3 11 22.937 88.418 20.295 1.00 0.00 WT4 O ATOM 47741 H1 TIP3 11 22.522 89.244 20.048 1.00 0.00 WT4 H ATOM 47742 H2 TIP3 11 23.763 88.410 19.812 1.00 0.00 WT4 H ATOM 47743 OH2 TIP3 21 84.189 56.285 40.036 1.00 0.00 WT4 O ATOM 47744 H1 TIP3 21 84.533 56.410 40.920 1.00 0.00 WT4 H ATOM 47745 H2 TIP3 21 83.916 57.160 39.759 1.00 0.00 WT4 H ATOM 47746 OH2 TIP3 22 77.566 31.168 -8.618 1.00 0.00 WT4 O ATOM 47747 H1 TIP3 22 77.838 30.634 -7.872 1.00 0.00 WT4 H ATOM 47748 H2 TIP3 22 78.336 31.697 -8.829 1.00 0.00 WT4 H ATOM 47749 OH2 TIP3 23 38.779 51.779 -2.141 1.00 0.00 WT4 O ATOM 47750 H1 TIP3 23 39.192 51.323 -1.407 1.00 0.00 WT4 H ATOM 47751 H2 TIP3 23 39.510 52.158 -2.629 1.00 0.00 WT4 H ATOM 47752 OH2 TIP3 24 69.896 60.032 22.398 1.00 0.00 WT4 O ATOM 47753 H1 TIP3 24 70.010 60.672 23.101 1.00 0.00 WT4 H ATOM 47754 H2 TIP3 24 69.748 59.202 22.851 1.00 0.00 WT4 H ATOM 47755 OH2 TIP3 25 60.976 53.955 39.549 1.00 0.00 WT4 O ATOM 47756 H1 TIP3 25 60.467 53.580 40.267 1.00 0.00 WT4 H ATOM 47757 H2 TIP3 25 60.552 54.793 39.366 1.00 0.00 WT4 H ATOM 47758 OH2 TIP3 27 51.022 48.214 -15.661 1.00 0.00 WT4 O ATOM 47759 H1 TIP3 27 51.809 47.940 -15.190 1.00 0.00 WT4 H ATOM 47760 H2 TIP3 27 50.408 48.473 -14.973 1.00 0.00 WT4 H ATOM 47761 OH2 TIP3 29 21.133 83.956 66.066 1.00 0.00 WT4 O ATOM 47762 H1 TIP3 29 20.541 84.667 65.819 1.00 0.00 WT4 H ATOM 47763 H2 TIP3 29 21.271 83.467 65.255 1.00 0.00 WT4 H ATOM 47764 OH2 TIP3 31 68.728 95.148 49.147 1.00 0.00 WT4 O ATOM 47765 H1 TIP3 31 69.440 94.676 49.581 1.00 0.00 WT4 H ATOM 47766 H2 TIP3 31 68.185 95.474 49.864 1.00 0.00 WT4 H ATOM 47767 OH2 TIP3 43 28.952 46.892 54.987 1.00 0.00 WT4 O ATOM 47768 H1 TIP3 43 28.860 47.574 54.322 1.00 0.00 WT4 H ATOM 47769 H2 TIP3 43 29.587 46.279 54.616 1.00 0.00 WT4 H ATOM 47770 OH2 TIP3 44 37.410 87.754 66.248 1.00 0.00 WT4 O ATOM 47771 H1 TIP3 44 37.111 86.848 66.163 1.00 0.00 WT4 H ATOM 47772 H2 TIP3 44 37.754 87.975 65.383 1.00 0.00 WT4 H ATOM 47773 OH2 TIP3 46 89.621 50.399 -12.104 1.00 0.00 WT4 O ATOM 47774 H1 TIP3 46 89.005 51.099 -11.885 1.00 0.00 WT4 H ATOM 47775 H2 TIP3 46 89.617 49.828 -11.336 1.00 0.00 WT4 H ATOM 47776 OH2 TIP3 47 54.977 69.320 56.094 1.00 0.00 WT4 O ATOM 47777 H1 TIP3 47 55.852 69.202 55.724 1.00 0.00 WT4 H ATOM 47778 H2 TIP3 47 54.435 68.675 55.639 1.00 0.00 WT4 H ATOM 47779 OH2 TIP3 48 61.767 25.767 48.142 1.00 0.00 WT4 O ATOM 47780 H1 TIP3 48 62.356 25.857 47.394 1.00 0.00 WT4 H ATOM 47781 H2 TIP3 48 61.444 24.868 48.087 1.00 0.00 WT4 H ATOM 47782 OH2 TIP3 50 32.931 70.420 2.382 1.00 0.00 WT4 O ATOM 47783 H1 TIP3 50 33.544 70.522 3.109 1.00 0.00 WT4 H ATOM 47784 H2 TIP3 50 33.485 70.222 1.627 1.00 0.00 WT4 H ATOM 47785 OH2 TIP3 64 41.269 81.165 -13.084 1.00 0.00 WT4 O ATOM 47786 H1 TIP3 64 40.887 80.712 -12.332 1.00 0.00 WT4 H ATOM 47787 H2 TIP3 64 42.081 80.690 -13.263 1.00 0.00 WT4 H ATOM 47788 OH2 TIP3 66 69.341 28.866 46.713 1.00 0.00 WT4 O ATOM 47789 H1 TIP3 66 69.647 28.917 45.807 1.00 0.00 WT4 H ATOM 47790 H2 TIP3 66 69.902 28.206 47.119 1.00 0.00 WT4 H ATOM 47791 OH2 TIP3 67 71.612 52.003 63.602 1.00 0.00 WT4 O ATOM 47792 H1 TIP3 67 72.001 52.117 62.735 1.00 0.00 WT4 H ATOM 47793 H2 TIP3 67 70.825 51.481 63.445 1.00 0.00 WT4 H ATOM 47794 OH2 TIP3 68 40.126 63.423 48.764 1.00 0.00 WT4 O ATOM 47795 H1 TIP3 68 40.641 63.364 47.960 1.00 0.00 WT4 H ATOM 47796 H2 TIP3 68 40.418 64.236 49.177 1.00 0.00 WT4 H ATOM 47797 OH2 TIP3 69 43.957 63.730 40.306 1.00 0.00 WT4 O ATOM 47798 H1 TIP3 69 43.263 64.044 40.886 1.00 0.00 WT4 H ATOM 47799 H2 TIP3 69 44.768 64.016 40.725 1.00 0.00 WT4 H ATOM 47800 OH2 TIP3 70 50.831 60.846 47.497 1.00 0.00 WT4 O ATOM 47801 H1 TIP3 70 49.910 61.060 47.343 1.00 0.00 WT4 H ATOM 47802 H2 TIP3 70 51.168 60.604 46.634 1.00 0.00 WT4 H ATOM 47803 OH2 TIP3 72 68.356 87.776 -16.359 1.00 0.00 WT4 O ATOM 47804 H1 TIP3 72 68.031 88.626 -16.654 1.00 0.00 WT4 H ATOM 47805 H2 TIP3 72 68.059 87.159 -17.028 1.00 0.00 WT4 H ATOM 47806 OH2 TIP3 83 86.276 89.512 56.137 1.00 0.00 WT4 O ATOM 47807 H1 TIP3 83 85.501 89.745 55.626 1.00 0.00 WT4 H ATOM 47808 H2 TIP3 83 86.033 89.702 57.043 1.00 0.00 WT4 H ATOM 47809 OH2 TIP3 86 42.495 46.078 58.909 1.00 0.00 WT4 O ATOM 47810 H1 TIP3 86 41.947 46.859 58.994 1.00 0.00 WT4 H ATOM 47811 H2 TIP3 86 42.868 46.141 58.030 1.00 0.00 WT4 H ATOM 47812 OH2 TIP3 87 22.937 46.368 39.506 1.00 0.00 WT4 O ATOM 47813 H1 TIP3 87 22.331 47.003 39.888 1.00 0.00 WT4 H ATOM 47814 H2 TIP3 87 23.520 46.892 38.956 1.00 0.00 WT4 H ATOM 47815 OH2 TIP3 88 81.312 79.231 42.970 1.00 0.00 WT4 O ATOM 47816 H1 TIP3 88 80.956 78.345 43.047 1.00 0.00 WT4 H ATOM 47817 H2 TIP3 88 80.841 79.615 42.231 1.00 0.00 WT4 H ATOM 47818 OH2 TIP3 90 90.318 86.024 16.308 1.00 0.00 WT4 O ATOM 47819 H1 TIP3 90 89.709 86.382 16.954 1.00 0.00 WT4 H ATOM 47820 H2 TIP3 90 90.303 85.079 16.462 1.00 0.00 WT4 H ATOM 47821 OH2 TIP3 91 37.472 53.639 -19.238 1.00 0.00 WT4 O ATOM 47822 H1 TIP3 91 37.675 54.278 -18.555 1.00 0.00 WT4 H ATOM 47823 H2 TIP3 91 38.279 53.566 -19.747 1.00 0.00 WT4 H ATOM 47824 OH2 TIP3 93 56.540 71.086 51.681 1.00 0.00 WT4 O ATOM 47825 H1 TIP3 93 57.403 71.122 51.269 1.00 0.00 WT4 H ATOM 47826 H2 TIP3 93 56.018 70.537 51.095 1.00 0.00 WT4 H ATOM 47827 OH2 TIP3 107 74.898 79.336 63.111 1.00 0.00 WT4 O ATOM 47828 H1 TIP3 107 74.178 78.738 62.911 1.00 0.00 WT4 H ATOM 47829 H2 TIP3 107 75.666 78.770 63.185 1.00 0.00 WT4 H ATOM 47830 OH2 TIP3 108 75.461 64.944 7.201 1.00 0.00 WT4 O ATOM 47831 H1 TIP3 108 75.893 65.235 8.004 1.00 0.00 WT4 H ATOM 47832 H2 TIP3 108 74.835 65.639 7.000 1.00 0.00 WT4 H ATOM 47833 OH2 TIP3 109 54.854 55.002 -10.536 1.00 0.00 WT4 O ATOM 47834 H1 TIP3 109 54.837 55.916 -10.252 1.00 0.00 WT4 H ATOM 47835 H2 TIP3 109 54.859 54.498 -9.722 1.00 0.00 WT4 H ATOM 47836 OH2 TIP3 110 42.870 93.732 66.473 1.00 0.00 WT4 O ATOM 47837 H1 TIP3 110 43.383 94.508 66.697 1.00 0.00 WT4 H ATOM 47838 H2 TIP3 110 42.069 93.816 66.989 1.00 0.00 WT4 H ATOM 47839 OH2 TIP3 111 41.744 48.898 30.839 1.00 0.00 WT4 O ATOM 47840 H1 TIP3 111 41.921 49.245 31.713 1.00 0.00 WT4 H ATOM 47841 H2 TIP3 111 41.349 49.631 30.366 1.00 0.00 WT4 H ATOM 47842 OH2 TIP3 112 22.338 10.455 43.339 1.00 0.00 WT4 O ATOM 47843 H1 TIP3 112 23.279 10.466 43.165 1.00 0.00 WT4 H ATOM 47844 H2 TIP3 112 22.038 9.621 42.979 1.00 0.00 WT4 H ATOM 47845 OH2 TIP3 113 86.418 79.489 -19.092 1.00 0.00 WT4 O ATOM 47846 H1 TIP3 113 86.738 78.588 -19.136 1.00 0.00 WT4 H ATOM 47847 H2 TIP3 113 85.926 79.529 -18.272 1.00 0.00 WT4 H ATOM 47848 OH2 TIP3 114 22.670 65.455 -12.414 1.00 0.00 WT4 O ATOM 47849 H1 TIP3 114 22.925 66.077 -13.096 1.00 0.00 WT4 H ATOM 47850 H2 TIP3 114 23.461 65.339 -11.887 1.00 0.00 WT4 H ATOM 47851 OH2 TIP3 129 59.936 28.071 29.113 1.00 0.00 WT4 O ATOM 47852 H1 TIP3 129 59.932 28.877 28.596 1.00 0.00 WT4 H ATOM 47853 H2 TIP3 129 59.986 28.369 30.021 1.00 0.00 WT4 H ATOM 47854 OH2 TIP3 130 35.977 25.141 44.905 1.00 0.00 WT4 O ATOM 47855 H1 TIP3 130 35.791 24.339 44.417 1.00 0.00 WT4 H ATOM 47856 H2 TIP3 130 35.502 25.037 45.729 1.00 0.00 WT4 H ATOM 47857 OH2 TIP3 132 68.009 70.125 -5.721 1.00 0.00 WT4 O ATOM 47858 H1 TIP3 132 68.302 69.665 -4.934 1.00 0.00 WT4 H ATOM 47859 H2 TIP3 132 67.531 69.464 -6.221 1.00 0.00 WT4 H ATOM 47860 OH2 TIP3 133 79.864 93.227 51.573 1.00 0.00 WT4 O ATOM 47861 H1 TIP3 133 79.744 92.694 50.787 1.00 0.00 WT4 H ATOM 47862 H2 TIP3 133 79.009 93.217 52.004 1.00 0.00 WT4 H ATOM 47863 OH2 TIP3 144 22.530 16.542 4.266 1.00 0.00 WT4 O ATOM 47864 H1 TIP3 144 23.345 16.042 4.215 1.00 0.00 WT4 H ATOM 47865 H2 TIP3 144 22.008 16.226 3.528 1.00 0.00 WT4 H ATOM 47866 OH2 TIP3 145 66.123 83.810 19.255 1.00 0.00 WT4 O ATOM 47867 H1 TIP3 145 65.277 83.562 18.882 1.00 0.00 WT4 H ATOM 47868 H2 TIP3 145 66.216 84.739 19.044 1.00 0.00 WT4 H ATOM 47869 OH2 TIP3 149 40.653 38.171 62.172 1.00 0.00 WT4 O ATOM 47870 H1 TIP3 149 40.779 39.047 61.806 1.00 0.00 WT4 H ATOM 47871 H2 TIP3 149 40.312 37.654 61.442 1.00 0.00 WT4 H ATOM 47872 OH2 TIP3 150 76.736 95.171 20.545 1.00 0.00 WT4 O ATOM 47873 H1 TIP3 150 76.739 94.456 19.909 1.00 0.00 WT4 H ATOM 47874 H2 TIP3 150 75.983 95.708 20.299 1.00 0.00 WT4 H ATOM 47875 OH2 TIP3 151 42.278 14.815 38.309 1.00 0.00 WT4 O ATOM 47876 H1 TIP3 151 42.372 15.659 38.751 1.00 0.00 WT4 H ATOM 47877 H2 TIP3 151 43.144 14.412 38.376 1.00 0.00 WT4 H ATOM 47878 OH2 TIP3 152 25.308 56.554 64.204 1.00 0.00 WT4 O ATOM 47879 H1 TIP3 152 24.693 56.752 64.909 1.00 0.00 WT4 H ATOM 47880 H2 TIP3 152 24.769 56.533 63.413 1.00 0.00 WT4 H ATOM 47881 OH2 TIP3 154 89.120 42.433 4.160 1.00 0.00 WT4 O ATOM 47882 H1 TIP3 154 88.509 42.569 3.436 1.00 0.00 WT4 H ATOM 47883 H2 TIP3 154 89.449 41.544 4.032 1.00 0.00 WT4 H ATOM 47884 OH2 TIP3 167 39.960 89.480 62.865 1.00 0.00 WT4 O ATOM 47885 H1 TIP3 167 39.129 89.008 62.923 1.00 0.00 WT4 H ATOM 47886 H2 TIP3 167 40.224 89.614 63.775 1.00 0.00 WT4 H ATOM 47887 OH2 TIP3 171 36.108 82.688 -13.118 1.00 0.00 WT4 O ATOM 47888 H1 TIP3 171 35.617 83.506 -13.197 1.00 0.00 WT4 H ATOM 47889 H2 TIP3 171 36.646 82.654 -13.909 1.00 0.00 WT4 H ATOM 47890 OH2 TIP3 192 77.064 35.922 63.472 1.00 0.00 WT4 O ATOM 47891 H1 TIP3 192 77.909 36.166 63.851 1.00 0.00 WT4 H ATOM 47892 H2 TIP3 192 76.433 36.074 64.175 1.00 0.00 WT4 H ATOM 47893 OH2 TIP3 193 61.530 33.957 -11.899 1.00 0.00 WT4 O ATOM 47894 H1 TIP3 193 60.594 33.956 -11.699 1.00 0.00 WT4 H ATOM 47895 H2 TIP3 193 61.959 33.917 -11.044 1.00 0.00 WT4 H ATOM 47896 OH2 TIP3 212 20.033 13.052 49.315 1.00 0.00 WT4 O ATOM 47897 H1 TIP3 212 20.579 12.653 48.638 1.00 0.00 WT4 H ATOM 47898 H2 TIP3 212 20.411 12.747 50.140 1.00 0.00 WT4 H ATOM 47899 OH2 TIP3 236 88.423 69.085 65.114 1.00 0.00 WT4 O ATOM 47900 H1 TIP3 236 88.650 69.805 65.703 1.00 0.00 WT4 H ATOM 47901 H2 TIP3 236 87.908 68.486 65.654 1.00 0.00 WT4 H ATOM 47902 OH2 TIP3 237 83.968 94.253 13.903 1.00 0.00 WT4 O ATOM 47903 H1 TIP3 237 83.213 93.955 13.395 1.00 0.00 WT4 H ATOM 47904 H2 TIP3 237 84.122 95.148 13.601 1.00 0.00 WT4 H ATOM 47905 OH2 TIP3 239 47.391 32.052 51.863 1.00 0.00 WT4 O ATOM 47906 H1 TIP3 239 47.208 32.307 52.767 1.00 0.00 WT4 H ATOM 47907 H2 TIP3 239 48.250 31.631 51.902 1.00 0.00 WT4 H ATOM 47908 OH2 TIP3 256 71.731 64.337 32.036 1.00 0.00 WT4 O ATOM 47909 H1 TIP3 256 71.130 64.221 31.299 1.00 0.00 WT4 H ATOM 47910 H2 TIP3 256 71.439 63.699 32.687 1.00 0.00 WT4 H ATOM 47911 OH2 TIP3 407 84.824 47.488 57.873 1.00 0.00 WT4 O ATOM 47912 H1 TIP3 407 84.584 46.571 58.006 1.00 0.00 WT4 H ATOM 47913 H2 TIP3 407 84.942 47.570 56.926 1.00 0.00 WT4 H ATOM 47914 OH2 TIP3 430 81.387 72.738 -1.212 1.00 0.00 WT4 O ATOM 47915 H1 TIP3 430 80.760 72.346 -0.604 1.00 0.00 WT4 H ATOM 47916 H2 TIP3 430 81.820 71.991 -1.624 1.00 0.00 WT4 H ATOM 47917 OH2 TIP3 443 76.951 70.468 -4.517 1.00 0.00 WT4 O ATOM 47918 H1 TIP3 443 76.836 70.195 -3.607 1.00 0.00 WT4 H ATOM 47919 H2 TIP3 443 76.066 70.667 -4.822 1.00 0.00 WT4 H ATOM 47920 OH2 TIP3 444 58.439 82.331 12.315 1.00 0.00 WT4 O ATOM 47921 H1 TIP3 444 58.156 81.947 13.146 1.00 0.00 WT4 H ATOM 47922 H2 TIP3 444 58.182 83.251 12.377 1.00 0.00 WT4 H ATOM 47923 OH2 TIP3 447 55.182 78.764 63.496 1.00 0.00 WT4 O ATOM 47924 H1 TIP3 447 54.795 79.301 62.804 1.00 0.00 WT4 H ATOM 47925 H2 TIP3 447 56.036 79.163 63.660 1.00 0.00 WT4 H ATOM 47926 OH2 TIP3 449 23.042 73.260 64.655 1.00 0.00 WT4 O ATOM 47927 H1 TIP3 449 23.288 73.827 65.385 1.00 0.00 WT4 H ATOM 47928 H2 TIP3 449 23.689 73.449 63.976 1.00 0.00 WT4 H ATOM 47929 OH2 TIP3 450 44.120 27.246 3.780 1.00 0.00 WT4 O ATOM 47930 H1 TIP3 450 43.753 27.842 3.127 1.00 0.00 WT4 H ATOM 47931 H2 TIP3 450 44.391 27.816 4.499 1.00 0.00 WT4 H ATOM 47932 OH2 TIP3 465 25.075 60.884 11.430 1.00 0.00 WT4 O ATOM 47933 H1 TIP3 465 24.807 61.760 11.708 1.00 0.00 WT4 H ATOM 47934 H2 TIP3 465 24.733 60.302 12.109 1.00 0.00 WT4 H ATOM 47935 OH2 TIP3 466 85.937 50.144 58.144 1.00 0.00 WT4 O ATOM 47936 H1 TIP3 466 85.274 50.834 58.116 1.00 0.00 WT4 H ATOM 47937 H2 TIP3 466 85.442 49.331 58.044 1.00 0.00 WT4 H ATOM 47938 OH2 TIP3 467 22.917 82.099 46.376 1.00 0.00 WT4 O ATOM 47939 H1 TIP3 467 23.797 81.736 46.280 1.00 0.00 WT4 H ATOM 47940 H2 TIP3 467 23.060 83.016 46.610 1.00 0.00 WT4 H ATOM 47941 OH2 TIP3 469 62.915 46.065 56.108 1.00 0.00 WT4 O ATOM 47942 H1 TIP3 469 62.137 45.941 56.652 1.00 0.00 WT4 H ATOM 47943 H2 TIP3 469 63.049 47.013 56.094 1.00 0.00 WT4 H ATOM 47944 OH2 TIP3 478 33.411 76.893 13.135 1.00 0.00 WT4 O ATOM 47945 H1 TIP3 478 33.675 75.982 13.008 1.00 0.00 WT4 H ATOM 47946 H2 TIP3 478 33.966 77.390 12.535 1.00 0.00 WT4 H ATOM 47947 OH2 TIP3 484 31.317 76.238 19.136 1.00 0.00 WT4 O ATOM 47948 H1 TIP3 484 32.007 75.984 18.523 1.00 0.00 WT4 H ATOM 47949 H2 TIP3 484 30.825 75.431 19.291 1.00 0.00 WT4 H ATOM 47950 OH2 TIP3 485 27.706 66.787 59.729 1.00 0.00 WT4 O ATOM 47951 H1 TIP3 485 27.638 66.669 58.782 1.00 0.00 WT4 H ATOM 47952 H2 TIP3 485 26.831 67.063 60.000 1.00 0.00 WT4 H ATOM 47953 OH2 TIP3 486 85.574 43.471 19.995 1.00 0.00 WT4 O ATOM 47954 H1 TIP3 486 86.414 43.061 19.789 1.00 0.00 WT4 H ATOM 47955 H2 TIP3 486 85.710 44.401 19.811 1.00 0.00 WT4 H ATOM 47956 OH2 TIP3 488 83.736 51.549 58.402 1.00 0.00 WT4 O ATOM 47957 H1 TIP3 488 83.856 51.896 57.518 1.00 0.00 WT4 H ATOM 47958 H2 TIP3 488 82.888 51.105 58.372 1.00 0.00 WT4 H ATOM 47959 OH2 TIP3 489 29.071 16.922 -11.563 1.00 0.00 WT4 O ATOM 47960 H1 TIP3 489 28.737 17.058 -10.677 1.00 0.00 WT4 H ATOM 47961 H2 TIP3 489 28.540 16.207 -11.913 1.00 0.00 WT4 H ATOM 47962 OH2 TIP3 492 48.187 25.997 52.901 1.00 0.00 WT4 O ATOM 47963 H1 TIP3 492 47.352 26.002 53.369 1.00 0.00 WT4 H ATOM 47964 H2 TIP3 492 48.133 26.748 52.309 1.00 0.00 WT4 H ATOM 47965 OH2 TIP3 503 24.988 63.158 41.887 1.00 0.00 WT4 O ATOM 47966 H1 TIP3 503 25.160 63.648 41.083 1.00 0.00 WT4 H ATOM 47967 H2 TIP3 503 24.965 63.824 42.574 1.00 0.00 WT4 H ATOM 47968 OH2 TIP3 506 68.345 93.729 63.441 1.00 0.00 WT4 O ATOM 47969 H1 TIP3 506 67.712 93.293 62.871 1.00 0.00 WT4 H ATOM 47970 H2 TIP3 506 68.011 94.621 63.533 1.00 0.00 WT4 H ATOM 47971 OH2 TIP3 507 24.314 72.647 -4.791 1.00 0.00 WT4 O ATOM 47972 H1 TIP3 507 24.620 71.751 -4.654 1.00 0.00 WT4 H ATOM 47973 H2 TIP3 507 24.519 73.099 -3.973 1.00 0.00 WT4 H ATOM 47974 OH2 TIP3 508 45.027 0.626 29.681 1.00 0.00 WT4 O ATOM 47975 H1 TIP3 508 45.941 0.610 29.398 1.00 0.00 WT4 H ATOM 47976 H2 TIP3 508 45.064 0.448 30.621 1.00 0.00 WT4 H ATOM 47977 OH2 TIP3 509 30.724 83.259 -11.034 1.00 0.00 WT4 O ATOM 47978 H1 TIP3 509 30.589 83.801 -10.257 1.00 0.00 WT4 H ATOM 47979 H2 TIP3 509 31.049 83.868 -11.698 1.00 0.00 WT4 H ATOM 47980 OH2 TIP3 511 85.860 75.806 16.298 1.00 0.00 WT4 O ATOM 47981 H1 TIP3 511 86.478 76.245 16.882 1.00 0.00 WT4 H ATOM 47982 H2 TIP3 511 85.009 75.917 16.721 1.00 0.00 WT4 H ATOM 47983 OH2 TIP3 512 69.227 60.011 53.034 1.00 0.00 WT4 O ATOM 47984 H1 TIP3 512 69.324 60.340 52.141 1.00 0.00 WT4 H ATOM 47985 H2 TIP3 512 68.517 59.371 52.978 1.00 0.00 WT4 H ATOM 47986 OH2 TIP3 513 37.377 8.594 59.061 1.00 0.00 WT4 O ATOM 47987 H1 TIP3 513 37.738 8.173 59.842 1.00 0.00 WT4 H ATOM 47988 H2 TIP3 513 36.952 9.386 59.390 1.00 0.00 WT4 H ATOM 47989 OH2 TIP3 517 64.511 75.422 -11.752 1.00 0.00 WT4 O ATOM 47990 H1 TIP3 517 64.238 75.127 -10.883 1.00 0.00 WT4 H ATOM 47991 H2 TIP3 517 64.499 74.629 -12.289 1.00 0.00 WT4 H ATOM 47992 OH2 TIP3 528 51.250 66.199 -17.817 1.00 0.00 WT4 O ATOM 47993 H1 TIP3 528 51.241 67.064 -17.408 1.00 0.00 WT4 H ATOM 47994 H2 TIP3 528 51.089 65.590 -17.095 1.00 0.00 WT4 H ATOM 47995 OH2 TIP3 529 21.175 72.905 -4.753 1.00 0.00 WT4 O ATOM 47996 H1 TIP3 529 21.014 71.971 -4.622 1.00 0.00 WT4 H ATOM 47997 H2 TIP3 529 22.079 72.952 -5.065 1.00 0.00 WT4 H ATOM 47998 OH2 TIP3 530 43.702 89.238 -0.211 1.00 0.00 WT4 O ATOM 47999 H1 TIP3 530 44.630 89.099 -0.399 1.00 0.00 WT4 H ATOM 48000 H2 TIP3 530 43.695 89.852 0.524 1.00 0.00 WT4 H ATOM 48001 OH2 TIP3 532 28.779 0.537 48.965 1.00 0.00 WT4 O ATOM 48002 H1 TIP3 532 29.606 0.310 49.391 1.00 0.00 WT4 H ATOM 48003 H2 TIP3 532 29.035 1.057 48.204 1.00 0.00 WT4 H ATOM 48004 OH2 TIP3 533 46.650 63.064 -6.144 1.00 0.00 WT4 O ATOM 48005 H1 TIP3 533 46.174 62.299 -5.822 1.00 0.00 WT4 H ATOM 48006 H2 TIP3 533 46.143 63.813 -5.829 1.00 0.00 WT4 H ATOM 48007 OH2 TIP3 535 34.429 84.152 38.860 1.00 0.00 WT4 O ATOM 48008 H1 TIP3 535 35.093 84.838 38.798 1.00 0.00 WT4 H ATOM 48009 H2 TIP3 535 34.930 83.340 38.938 1.00 0.00 WT4 H ATOM 48010 OH2 TIP3 543 28.959 43.417 -3.555 1.00 0.00 WT4 O ATOM 48011 H1 TIP3 543 29.567 44.151 -3.467 1.00 0.00 WT4 H ATOM 48012 H2 TIP3 543 29.075 42.912 -2.750 1.00 0.00 WT4 H ATOM 48013 OH2 TIP3 547 42.018 83.881 5.736 1.00 0.00 WT4 O ATOM 48014 H1 TIP3 547 41.767 84.588 5.141 1.00 0.00 WT4 H ATOM 48015 H2 TIP3 547 42.750 83.447 5.297 1.00 0.00 WT4 H ATOM 48016 OH2 TIP3 549 87.473 78.395 58.087 1.00 0.00 WT4 O ATOM 48017 H1 TIP3 549 87.875 79.240 57.887 1.00 0.00 WT4 H ATOM 48018 H2 TIP3 549 86.756 78.605 58.685 1.00 0.00 WT4 H ATOM 48019 OH2 TIP3 550 71.174 16.827 62.216 1.00 0.00 WT4 O ATOM 48020 H1 TIP3 550 70.225 16.807 62.342 1.00 0.00 WT4 H ATOM 48021 H2 TIP3 550 71.321 16.309 61.425 1.00 0.00 WT4 H ATOM 48022 OH2 TIP3 551 87.128 11.394 -18.412 1.00 0.00 WT4 O ATOM 48023 H1 TIP3 551 87.320 12.137 -18.984 1.00 0.00 WT4 H ATOM 48024 H2 TIP3 551 86.227 11.540 -18.123 1.00 0.00 WT4 H ATOM 48025 OH2 TIP3 554 45.121 76.463 11.491 1.00 0.00 WT4 O ATOM 48026 H1 TIP3 554 44.726 75.624 11.253 1.00 0.00 WT4 H ATOM 48027 H2 TIP3 554 45.727 76.655 10.775 1.00 0.00 WT4 H ATOM 48028 OH2 TIP3 558 39.233 14.043 17.043 1.00 0.00 WT4 O ATOM 48029 H1 TIP3 558 39.437 14.327 16.152 1.00 0.00 WT4 H ATOM 48030 H2 TIP3 558 39.914 14.442 17.584 1.00 0.00 WT4 H ATOM 48031 OH2 TIP3 562 70.695 22.392 44.090 1.00 0.00 WT4 O ATOM 48032 H1 TIP3 562 70.995 22.223 44.984 1.00 0.00 WT4 H ATOM 48033 H2 TIP3 562 71.375 22.012 43.533 1.00 0.00 WT4 H ATOM 48034 OH2 TIP3 568 64.233 59.893 -0.872 1.00 0.00 WT4 O ATOM 48035 H1 TIP3 568 64.967 60.032 -0.274 1.00 0.00 WT4 H ATOM 48036 H2 TIP3 568 64.505 59.156 -1.418 1.00 0.00 WT4 H ATOM 48037 OH2 TIP3 572 74.248 70.969 -14.364 1.00 0.00 WT4 O ATOM 48038 H1 TIP3 572 73.629 71.080 -13.642 1.00 0.00 WT4 H ATOM 48039 H2 TIP3 572 75.082 71.284 -14.017 1.00 0.00 WT4 H ATOM 48040 OH2 TIP3 573 23.007 6.184 56.109 1.00 0.00 WT4 O ATOM 48041 H1 TIP3 573 23.219 5.305 55.795 1.00 0.00 WT4 H ATOM 48042 H2 TIP3 573 22.176 6.397 55.686 1.00 0.00 WT4 H ATOM 48043 OH2 TIP3 574 72.692 81.512 44.560 1.00 0.00 WT4 O ATOM 48044 H1 TIP3 574 71.948 82.110 44.632 1.00 0.00 WT4 H ATOM 48045 H2 TIP3 574 72.714 81.054 45.400 1.00 0.00 WT4 H ATOM 48046 OH2 TIP3 575 26.895 47.516 49.351 1.00 0.00 WT4 O ATOM 48047 H1 TIP3 575 26.092 47.494 49.871 1.00 0.00 WT4 H ATOM 48048 H2 TIP3 575 27.305 48.351 49.578 1.00 0.00 WT4 H ATOM 48049 OH2 TIP3 584 79.225 85.420 -14.712 1.00 0.00 WT4 O ATOM 48050 H1 TIP3 584 78.760 85.130 -13.927 1.00 0.00 WT4 H ATOM 48051 H2 TIP3 584 79.123 86.372 -14.712 1.00 0.00 WT4 H ATOM 48052 OH2 TIP3 591 27.873 50.001 50.344 1.00 0.00 WT4 O ATOM 48053 H1 TIP3 591 28.093 50.930 50.272 1.00 0.00 WT4 H ATOM 48054 H2 TIP3 591 28.717 49.551 50.300 1.00 0.00 WT4 H ATOM 48055 OH2 TIP3 592 81.165 40.136 15.397 1.00 0.00 WT4 O ATOM 48056 H1 TIP3 592 80.796 39.383 15.858 1.00 0.00 WT4 H ATOM 48057 H2 TIP3 592 81.861 40.452 15.974 1.00 0.00 WT4 H ATOM 48058 OH2 TIP3 593 60.039 77.434 50.544 1.00 0.00 WT4 O ATOM 48059 H1 TIP3 593 60.381 77.648 51.412 1.00 0.00 WT4 H ATOM 48060 H2 TIP3 593 60.004 76.478 50.529 1.00 0.00 WT4 H ATOM 48061 OH2 TIP3 594 49.165 65.895 8.684 1.00 0.00 WT4 O ATOM 48062 H1 TIP3 594 49.088 66.848 8.633 1.00 0.00 WT4 H ATOM 48063 H2 TIP3 594 49.800 65.742 9.383 1.00 0.00 WT4 H ATOM 48064 OH2 TIP3 595 82.316 13.039 64.463 1.00 0.00 WT4 O ATOM 48065 H1 TIP3 595 83.118 12.622 64.777 1.00 0.00 WT4 H ATOM 48066 H2 TIP3 595 81.763 13.113 65.241 1.00 0.00 WT4 H ATOM 48067 OH2 TIP3 612 71.728 4.945 41.958 1.00 0.00 WT4 O ATOM 48068 H1 TIP3 612 70.961 5.353 42.359 1.00 0.00 WT4 H ATOM 48069 H2 TIP3 612 72.466 5.253 42.483 1.00 0.00 WT4 H ATOM 48070 OH2 TIP3 613 57.440 84.085 50.032 1.00 0.00 WT4 O ATOM 48071 H1 TIP3 613 56.819 83.358 50.080 1.00 0.00 WT4 H ATOM 48072 H2 TIP3 613 57.738 84.087 49.122 1.00 0.00 WT4 H ATOM 48073 OH2 TIP3 617 80.045 94.313 44.306 1.00 0.00 WT4 O ATOM 48074 H1 TIP3 617 79.150 94.639 44.205 1.00 0.00 WT4 H ATOM 48075 H2 TIP3 617 80.381 94.771 45.077 1.00 0.00 WT4 H ATOM 48076 OH2 TIP3 632 59.387 49.235 3.843 1.00 0.00 WT4 O ATOM 48077 H1 TIP3 632 60.201 49.405 4.316 1.00 0.00 WT4 H ATOM 48078 H2 TIP3 632 59.532 49.606 2.973 1.00 0.00 WT4 H ATOM 48079 OH2 TIP3 634 37.240 83.561 64.041 1.00 0.00 WT4 O ATOM 48080 H1 TIP3 634 36.667 83.821 63.320 1.00 0.00 WT4 H ATOM 48081 H2 TIP3 634 37.299 82.609 63.970 1.00 0.00 WT4 H ATOM 48082 OH2 TIP3 635 78.285 39.187 25.888 1.00 0.00 WT4 O ATOM 48083 H1 TIP3 635 77.708 39.304 25.133 1.00 0.00 WT4 H ATOM 48084 H2 TIP3 635 78.572 40.073 26.110 1.00 0.00 WT4 H ATOM 48085 OH2 TIP3 638 33.183 38.142 26.254 1.00 0.00 WT4 O ATOM 48086 H1 TIP3 638 33.359 37.251 26.557 1.00 0.00 WT4 H ATOM 48087 H2 TIP3 638 34.039 38.478 25.988 1.00 0.00 WT4 H ATOM 48088 OH2 TIP3 640 44.071 13.126 56.072 1.00 0.00 WT4 O ATOM 48089 H1 TIP3 640 44.296 12.322 56.540 1.00 0.00 WT4 H ATOM 48090 H2 TIP3 640 44.838 13.311 55.530 1.00 0.00 WT4 H ATOM 48091 OH2 TIP3 656 70.720 90.671 32.707 1.00 0.00 WT4 O ATOM 48092 H1 TIP3 656 69.836 90.306 32.764 1.00 0.00 WT4 H ATOM 48093 H2 TIP3 656 71.255 89.952 32.373 1.00 0.00 WT4 H ATOM 48094 OH2 TIP3 659 88.244 68.111 5.085 1.00 0.00 WT4 O ATOM 48095 H1 TIP3 659 87.460 67.562 5.087 1.00 0.00 WT4 H ATOM 48096 H2 TIP3 659 88.862 67.648 5.650 1.00 0.00 WT4 H ATOM 48097 OH2 TIP3 660 30.074 18.531 -7.201 1.00 0.00 WT4 O ATOM 48098 H1 TIP3 660 30.818 18.970 -7.614 1.00 0.00 WT4 H ATOM 48099 H2 TIP3 660 30.163 18.734 -6.270 1.00 0.00 WT4 H ATOM 48100 OH2 TIP3 682 30.108 52.202 -8.058 1.00 0.00 WT4 O ATOM 48101 H1 TIP3 682 30.567 52.968 -7.716 1.00 0.00 WT4 H ATOM 48102 H2 TIP3 682 29.246 52.233 -7.644 1.00 0.00 WT4 H ATOM 48103 OH2 TIP3 695 86.536 78.843 25.341 1.00 0.00 WT4 O ATOM 48104 H1 TIP3 695 86.099 78.292 25.991 1.00 0.00 WT4 H ATOM 48105 H2 TIP3 695 86.402 78.387 24.510 1.00 0.00 WT4 H ATOM 48106 OH2 TIP3 697 66.085 49.801 8.645 1.00 0.00 WT4 O ATOM 48107 H1 TIP3 697 65.977 49.592 9.573 1.00 0.00 WT4 H ATOM 48108 H2 TIP3 697 65.191 49.857 8.306 1.00 0.00 WT4 H ATOM 48109 OH2 TIP3 758 89.627 59.001 1.964 1.00 0.00 WT4 O ATOM 48110 H1 TIP3 758 90.233 59.732 2.085 1.00 0.00 WT4 H ATOM 48111 H2 TIP3 758 90.087 58.244 2.327 1.00 0.00 WT4 H ATOM 48112 OH2 TIP3 805 62.891 18.885 63.426 1.00 0.00 WT4 O ATOM 48113 H1 TIP3 805 62.113 18.327 63.416 1.00 0.00 WT4 H ATOM 48114 H2 TIP3 805 63.539 18.385 63.922 1.00 0.00 WT4 H ATOM 48115 OH2 TIP3 822 82.139 45.798 37.124 1.00 0.00 WT4 O ATOM 48116 H1 TIP3 822 82.828 45.133 37.088 1.00 0.00 WT4 H ATOM 48117 H2 TIP3 822 81.437 45.388 37.629 1.00 0.00 WT4 H ATOM 48118 OH2 TIP3 848 41.161 57.350 0.042 1.00 0.00 WT4 O ATOM 48119 H1 TIP3 848 41.912 57.231 0.623 1.00 0.00 WT4 H ATOM 48120 H2 TIP3 848 41.040 58.298 -0.004 1.00 0.00 WT4 H ATOM 48121 OH2 TIP3 849 35.495 46.714 6.866 1.00 0.00 WT4 O ATOM 48122 H1 TIP3 849 36.148 46.260 6.334 1.00 0.00 WT4 H ATOM 48123 H2 TIP3 849 35.122 46.030 7.423 1.00 0.00 WT4 H ATOM 48124 OH2 TIP3 866 44.268 54.656 58.619 1.00 0.00 WT4 O ATOM 48125 H1 TIP3 866 44.135 54.483 59.551 1.00 0.00 WT4 H ATOM 48126 H2 TIP3 866 44.477 53.800 58.244 1.00 0.00 WT4 H ATOM 48127 OH2 TIP3 867 22.488 63.613 1.821 1.00 0.00 WT4 O ATOM 48128 H1 TIP3 867 23.115 63.380 2.506 1.00 0.00 WT4 H ATOM 48129 H2 TIP3 867 22.996 63.582 1.011 1.00 0.00 WT4 H ATOM 48130 OH2 TIP3 887 56.833 21.254 44.768 1.00 0.00 WT4 O ATOM 48131 H1 TIP3 887 56.260 21.983 44.533 1.00 0.00 WT4 H ATOM 48132 H2 TIP3 887 57.474 21.214 44.058 1.00 0.00 WT4 H ATOM 48133 OH2 TIP3 888 58.597 22.999 4.295 1.00 0.00 WT4 O ATOM 48134 H1 TIP3 888 57.784 22.812 4.765 1.00 0.00 WT4 H ATOM 48135 H2 TIP3 888 58.378 23.729 3.717 1.00 0.00 WT4 H ATOM 48136 OH2 TIP3 891 38.487 41.540 42.275 1.00 0.00 WT4 O ATOM 48137 H1 TIP3 891 37.555 41.444 42.077 1.00 0.00 WT4 H ATOM 48138 H2 TIP3 891 38.522 42.237 42.929 1.00 0.00 WT4 H ATOM 48139 OH2 TIP3 906 22.890 24.428 -10.324 1.00 0.00 WT4 O ATOM 48140 H1 TIP3 906 23.533 24.837 -9.745 1.00 0.00 WT4 H ATOM 48141 H2 TIP3 906 22.854 23.516 -10.035 1.00 0.00 WT4 H ATOM 48142 OH2 TIP3 908 89.083 50.906 40.488 1.00 0.00 WT4 O ATOM 48143 H1 TIP3 908 88.369 51.205 39.926 1.00 0.00 WT4 H ATOM 48144 H2 TIP3 908 88.793 51.113 41.377 1.00 0.00 WT4 H ATOM 48145 OH2 TIP3 912 59.077 52.175 55.012 1.00 0.00 WT4 O ATOM 48146 H1 TIP3 912 58.122 52.229 55.059 1.00 0.00 WT4 H ATOM 48147 H2 TIP3 912 59.380 52.585 55.822 1.00 0.00 WT4 H ATOM 48148 OH2 TIP3 924 44.855 41.083 -1.058 1.00 0.00 WT4 O ATOM 48149 H1 TIP3 924 45.145 41.727 -0.412 1.00 0.00 WT4 H ATOM 48150 H2 TIP3 924 44.945 40.240 -0.614 1.00 0.00 WT4 H ATOM 48151 OH2 TIP3 927 67.476 37.690 41.675 1.00 0.00 WT4 O ATOM 48152 H1 TIP3 927 67.345 38.634 41.585 1.00 0.00 WT4 H ATOM 48153 H2 TIP3 927 68.256 37.505 41.152 1.00 0.00 WT4 H ATOM 48154 OH2 TIP3 928 55.436 41.460 -7.473 1.00 0.00 WT4 O ATOM 48155 H1 TIP3 928 55.829 41.680 -6.628 1.00 0.00 WT4 H ATOM 48156 H2 TIP3 928 54.493 41.529 -7.324 1.00 0.00 WT4 H ATOM 48157 OH2 TIP3 929 38.406 31.092 23.913 1.00 0.00 WT4 O ATOM 48158 H1 TIP3 929 39.332 31.296 23.780 1.00 0.00 WT4 H ATOM 48159 H2 TIP3 929 37.986 31.945 24.024 1.00 0.00 WT4 H ATOM 48160 OH2 TIP3 930 50.456 13.876 19.319 1.00 0.00 WT4 O ATOM 48161 H1 TIP3 930 49.855 14.613 19.213 1.00 0.00 WT4 H ATOM 48162 H2 TIP3 930 49.951 13.113 19.038 1.00 0.00 WT4 H ATOM 48163 OH2 TIP3 932 83.818 78.099 45.311 1.00 0.00 WT4 O ATOM 48164 H1 TIP3 932 83.043 78.107 44.751 1.00 0.00 WT4 H ATOM 48165 H2 TIP3 932 83.533 77.656 46.110 1.00 0.00 WT4 H ATOM 48166 OH2 TIP3 942 51.542 47.504 60.234 1.00 0.00 WT4 O ATOM 48167 H1 TIP3 942 51.575 48.271 60.806 1.00 0.00 WT4 H ATOM 48168 H2 TIP3 942 51.668 47.857 59.353 1.00 0.00 WT4 H ATOM 48169 OH2 TIP3 947 51.511 78.634 -14.240 1.00 0.00 WT4 O ATOM 48170 H1 TIP3 947 51.366 78.358 -15.145 1.00 0.00 WT4 H ATOM 48171 H2 TIP3 947 51.640 77.817 -13.758 1.00 0.00 WT4 H ATOM 48172 OH2 TIP3 948 25.436 72.400 54.234 1.00 0.00 WT4 O ATOM 48173 H1 TIP3 948 25.631 72.822 53.397 1.00 0.00 WT4 H ATOM 48174 H2 TIP3 948 25.051 73.094 54.769 1.00 0.00 WT4 H ATOM 48175 OH2 TIP3 950 74.751 72.800 62.463 1.00 0.00 WT4 O ATOM 48176 H1 TIP3 950 75.120 73.578 62.880 1.00 0.00 WT4 H ATOM 48177 H2 TIP3 950 74.750 72.136 63.153 1.00 0.00 WT4 H ATOM 48178 OH2 TIP3 951 67.237 75.248 31.780 1.00 0.00 WT4 O ATOM 48179 H1 TIP3 951 66.303 75.274 31.576 1.00 0.00 WT4 H ATOM 48180 H2 TIP3 951 67.515 74.368 31.523 1.00 0.00 WT4 H ATOM 48181 OH2 TIP3 952 45.192 73.478 26.116 1.00 0.00 WT4 O ATOM 48182 H1 TIP3 952 44.599 73.567 25.370 1.00 0.00 WT4 H ATOM 48183 H2 TIP3 952 46.057 73.360 25.722 1.00 0.00 WT4 H ATOM 48184 OH2 TIP3 953 51.814 55.174 61.105 1.00 0.00 WT4 O ATOM 48185 H1 TIP3 953 50.882 54.956 61.128 1.00 0.00 WT4 H ATOM 48186 H2 TIP3 953 52.227 54.523 61.672 1.00 0.00 WT4 H ATOM 48187 OH2 TIP3 956 68.989 7.340 64.098 1.00 0.00 WT4 O ATOM 48188 H1 TIP3 956 68.569 6.509 63.876 1.00 0.00 WT4 H ATOM 48189 H2 TIP3 956 68.859 7.430 65.042 1.00 0.00 WT4 H ATOM 48190 OH2 TIP3 964 24.399 14.887 10.687 1.00 0.00 WT4 O ATOM 48191 H1 TIP3 964 23.852 15.472 10.162 1.00 0.00 WT4 H ATOM 48192 H2 TIP3 964 24.911 14.397 10.044 1.00 0.00 WT4 H ATOM 48193 OH2 TIP3 970 35.555 76.762 2.682 1.00 0.00 WT4 O ATOM 48194 H1 TIP3 970 35.254 76.754 3.590 1.00 0.00 WT4 H ATOM 48195 H2 TIP3 970 35.678 77.689 2.477 1.00 0.00 WT4 H ATOM 48196 OH2 TIP3 972 25.479 71.251 66.322 1.00 0.00 WT4 O ATOM 48197 H1 TIP3 972 25.299 72.125 66.668 1.00 0.00 WT4 H ATOM 48198 H2 TIP3 972 25.286 71.318 65.387 1.00 0.00 WT4 H ATOM 48199 OH2 TIP3 974 37.187 39.081 38.807 1.00 0.00 WT4 O ATOM 48200 H1 TIP3 974 37.847 39.759 38.664 1.00 0.00 WT4 H ATOM 48201 H2 TIP3 974 37.421 38.385 38.194 1.00 0.00 WT4 H ATOM 48202 OH2 TIP3 985 29.748 92.466 25.615 1.00 0.00 WT4 O ATOM 48203 H1 TIP3 985 29.051 92.616 26.254 1.00 0.00 WT4 H ATOM 48204 H2 TIP3 985 30.429 93.096 25.849 1.00 0.00 WT4 H ATOM 48205 OH2 TIP3 987 27.388 62.848 54.224 1.00 0.00 WT4 O ATOM 48206 H1 TIP3 987 28.141 62.258 54.195 1.00 0.00 WT4 H ATOM 48207 H2 TIP3 987 27.089 62.811 55.133 1.00 0.00 WT4 H ATOM 48208 OH2 TIP3 988 54.447 84.076 2.710 1.00 0.00 WT4 O ATOM 48209 H1 TIP3 988 53.976 84.900 2.833 1.00 0.00 WT4 H ATOM 48210 H2 TIP3 988 53.762 83.435 2.518 1.00 0.00 WT4 H ATOM 48211 OH2 TIP3 992 83.439 66.192 25.471 1.00 0.00 WT4 O ATOM 48212 H1 TIP3 992 84.020 65.607 24.983 1.00 0.00 WT4 H ATOM 48213 H2 TIP3 992 82.692 66.330 24.889 1.00 0.00 WT4 H ATOM 48214 OH2 TIP3 993 85.946 52.360 -19.099 1.00 0.00 WT4 O ATOM 48215 H1 TIP3 993 85.388 51.733 -18.638 1.00 0.00 WT4 H ATOM 48216 H2 TIP3 993 85.354 52.810 -19.702 1.00 0.00 WT4 H ATOM 48217 OH2 TIP3 995 87.582 63.820 -0.533 1.00 0.00 WT4 O ATOM 48218 H1 TIP3 995 87.282 62.959 -0.825 1.00 0.00 WT4 H ATOM 48219 H2 TIP3 995 87.980 63.657 0.323 1.00 0.00 WT4 H ATOM 48220 OH2 TIP3 1007 39.010 89.766 24.863 1.00 0.00 WT4 O ATOM 48221 H1 TIP3 1007 38.204 89.309 24.622 1.00 0.00 WT4 H ATOM 48222 H2 TIP3 1007 38.785 90.695 24.806 1.00 0.00 WT4 H ATOM 48223 OH2 TIP3 1010 89.827 8.258 3.548 1.00 0.00 WT4 O ATOM 48224 H1 TIP3 1010 90.586 8.712 3.181 1.00 0.00 WT4 H ATOM 48225 H2 TIP3 1010 89.226 8.960 3.798 1.00 0.00 WT4 H ATOM 48226 OH2 TIP3 1011 64.766 21.718 39.906 1.00 0.00 WT4 O ATOM 48227 H1 TIP3 1011 65.558 21.871 40.421 1.00 0.00 WT4 H ATOM 48228 H2 TIP3 1011 64.374 20.936 40.294 1.00 0.00 WT4 H ATOM 48229 OH2 TIP3 1013 49.145 5.858 -13.590 1.00 0.00 WT4 O ATOM 48230 H1 TIP3 1013 48.738 6.723 -13.555 1.00 0.00 WT4 H ATOM 48231 H2 TIP3 1013 49.582 5.764 -12.744 1.00 0.00 WT4 H ATOM 48232 OH2 TIP3 1014 40.439 49.852 -0.932 1.00 0.00 WT4 O ATOM 48233 H1 TIP3 1014 41.057 50.292 -0.348 1.00 0.00 WT4 H ATOM 48234 H2 TIP3 1014 40.124 49.102 -0.427 1.00 0.00 WT4 H ATOM 48235 OH2 TIP3 1017 85.349 33.614 45.297 1.00 0.00 WT4 O ATOM 48236 H1 TIP3 1017 85.468 34.223 46.026 1.00 0.00 WT4 H ATOM 48237 H2 TIP3 1017 85.783 34.038 44.557 1.00 0.00 WT4 H ATOM 48238 OH2 TIP3 1018 29.919 81.113 4.298 1.00 0.00 WT4 O ATOM 48239 H1 TIP3 1018 30.339 81.469 5.080 1.00 0.00 WT4 H ATOM 48240 H2 TIP3 1018 29.653 80.228 4.549 1.00 0.00 WT4 H ATOM 48241 OH2 TIP3 1027 73.801 69.549 24.112 1.00 0.00 WT4 O ATOM 48242 H1 TIP3 1027 73.419 68.756 24.488 1.00 0.00 WT4 H ATOM 48243 H2 TIP3 1027 73.048 70.099 23.897 1.00 0.00 WT4 H ATOM 48244 OH2 TIP3 1032 32.704 53.315 -10.863 1.00 0.00 WT4 O ATOM 48245 H1 TIP3 1032 33.464 52.920 -11.291 1.00 0.00 WT4 H ATOM 48246 H2 TIP3 1032 32.415 52.656 -10.232 1.00 0.00 WT4 H ATOM 48247 OH2 TIP3 1033 57.683 92.202 61.152 1.00 0.00 WT4 O ATOM 48248 H1 TIP3 1033 57.990 91.614 61.843 1.00 0.00 WT4 H ATOM 48249 H2 TIP3 1033 57.447 91.620 60.430 1.00 0.00 WT4 H ATOM 48250 OH2 TIP3 1040 54.981 96.273 49.973 1.00 0.00 WT4 O ATOM 48251 H1 TIP3 1040 54.797 97.209 49.903 1.00 0.00 WT4 H ATOM 48252 H2 TIP3 1040 54.181 95.848 49.663 1.00 0.00 WT4 H ATOM 48253 OH2 TIP3 1051 86.939 5.792 43.433 1.00 0.00 WT4 O ATOM 48254 H1 TIP3 1051 86.498 5.159 42.866 1.00 0.00 WT4 H ATOM 48255 H2 TIP3 1051 87.491 5.258 44.004 1.00 0.00 WT4 H ATOM 48256 OH2 TIP3 1053 27.798 76.001 61.603 1.00 0.00 WT4 O ATOM 48257 H1 TIP3 1053 28.362 76.480 62.210 1.00 0.00 WT4 H ATOM 48258 H2 TIP3 1053 27.076 76.602 61.421 1.00 0.00 WT4 H ATOM 48259 OH2 TIP3 1054 67.553 26.257 -18.310 1.00 0.00 WT4 O ATOM 48260 H1 TIP3 1054 67.320 26.797 -17.554 1.00 0.00 WT4 H ATOM 48261 H2 TIP3 1054 67.257 26.763 -19.067 1.00 0.00 WT4 H ATOM 48262 OH2 TIP3 1055 60.539 75.267 16.987 1.00 0.00 WT4 O ATOM 48263 H1 TIP3 1055 60.108 74.413 16.957 1.00 0.00 WT4 H ATOM 48264 H2 TIP3 1055 61.185 75.185 17.689 1.00 0.00 WT4 H ATOM 48265 OH2 TIP3 1058 59.759 86.809 62.664 1.00 0.00 WT4 O ATOM 48266 H1 TIP3 1058 59.544 86.063 62.103 1.00 0.00 WT4 H ATOM 48267 H2 TIP3 1058 59.429 86.562 63.528 1.00 0.00 WT4 H ATOM 48268 OH2 TIP3 1059 69.778 40.742 37.995 1.00 0.00 WT4 O ATOM 48269 H1 TIP3 1059 69.326 41.441 37.523 1.00 0.00 WT4 H ATOM 48270 H2 TIP3 1059 69.792 40.008 37.382 1.00 0.00 WT4 H ATOM 48271 OH2 TIP3 1076 87.158 92.347 20.223 1.00 0.00 WT4 O ATOM 48272 H1 TIP3 1076 87.229 92.178 19.283 1.00 0.00 WT4 H ATOM 48273 H2 TIP3 1076 87.906 92.911 20.422 1.00 0.00 WT4 H ATOM 48274 OH2 TIP3 1094 87.989 11.259 45.483 1.00 0.00 WT4 O ATOM 48275 H1 TIP3 1094 87.883 10.326 45.671 1.00 0.00 WT4 H ATOM 48276 H2 TIP3 1094 88.779 11.307 44.945 1.00 0.00 WT4 H ATOM 48277 OH2 TIP3 1096 75.999 37.225 9.360 1.00 0.00 WT4 O ATOM 48278 H1 TIP3 1096 75.109 37.577 9.340 1.00 0.00 WT4 H ATOM 48279 H2 TIP3 1096 75.881 36.275 9.366 1.00 0.00 WT4 H ATOM 48280 OH2 TIP3 1098 82.225 89.545 -4.397 1.00 0.00 WT4 O ATOM 48281 H1 TIP3 1098 82.325 90.461 -4.136 1.00 0.00 WT4 H ATOM 48282 H2 TIP3 1098 82.803 89.446 -5.153 1.00 0.00 WT4 H ATOM 48283 OH2 TIP3 1112 61.706 37.945 22.548 1.00 0.00 WT4 O ATOM 48284 H1 TIP3 1112 60.778 37.962 22.781 1.00 0.00 WT4 H ATOM 48285 H2 TIP3 1112 61.740 38.319 21.668 1.00 0.00 WT4 H ATOM 48286 OH2 TIP3 1115 44.239 72.399 34.009 1.00 0.00 WT4 O ATOM 48287 H1 TIP3 1115 44.451 71.490 33.797 1.00 0.00 WT4 H ATOM 48288 H2 TIP3 1115 45.076 72.787 34.265 1.00 0.00 WT4 H ATOM 48289 OH2 TIP3 1117 71.230 73.115 42.237 1.00 0.00 WT4 O ATOM 48290 H1 TIP3 1117 72.177 73.128 42.378 1.00 0.00 WT4 H ATOM 48291 H2 TIP3 1117 70.971 72.215 42.437 1.00 0.00 WT4 H ATOM 48292 OH2 TIP3 1119 50.385 95.721 -3.114 1.00 0.00 WT4 O ATOM 48293 H1 TIP3 1119 51.243 95.305 -3.040 1.00 0.00 WT4 H ATOM 48294 H2 TIP3 1119 49.761 95.019 -2.931 1.00 0.00 WT4 H ATOM 48295 OH2 TIP3 1122 28.030 61.775 44.484 1.00 0.00 WT4 O ATOM 48296 H1 TIP3 1122 27.394 61.686 43.775 1.00 0.00 WT4 H ATOM 48297 H2 TIP3 1122 28.451 60.917 44.538 1.00 0.00 WT4 H ATOM 48298 OH2 TIP3 1137 36.824 92.909 51.554 1.00 0.00 WT4 O ATOM 48299 H1 TIP3 1137 37.300 93.336 50.841 1.00 0.00 WT4 H ATOM 48300 H2 TIP3 1137 36.629 93.615 52.169 1.00 0.00 WT4 H ATOM 48301 OH2 TIP3 1201 36.820 77.677 44.056 1.00 0.00 WT4 O ATOM 48302 H1 TIP3 1201 37.235 76.925 44.478 1.00 0.00 WT4 H ATOM 48303 H2 TIP3 1201 36.473 77.329 43.234 1.00 0.00 WT4 H ATOM 48304 OH2 TIP3 1301 28.784 20.052 53.506 1.00 0.00 WT4 O ATOM 48305 H1 TIP3 1301 29.654 19.989 53.900 1.00 0.00 WT4 H ATOM 48306 H2 TIP3 1301 28.828 20.833 52.953 1.00 0.00 WT4 H ATOM 48307 OH2 TIP3 1305 89.120 62.057 39.872 1.00 0.00 WT4 O ATOM 48308 H1 TIP3 1305 90.039 62.278 39.723 1.00 0.00 WT4 H ATOM 48309 H2 TIP3 1305 88.631 62.710 39.371 1.00 0.00 WT4 H ATOM 48310 OH2 TIP3 1307 49.446 89.528 -1.084 1.00 0.00 WT4 O ATOM 48311 H1 TIP3 1307 48.814 89.052 -0.546 1.00 0.00 WT4 H ATOM 48312 H2 TIP3 1307 49.710 90.271 -0.542 1.00 0.00 WT4 H ATOM 48313 OH2 TIP3 1308 30.260 79.158 27.851 1.00 0.00 WT4 O ATOM 48314 H1 TIP3 1308 29.379 78.920 27.561 1.00 0.00 WT4 H ATOM 48315 H2 TIP3 1308 30.612 79.690 27.137 1.00 0.00 WT4 H ATOM 48316 OH2 TIP3 1322 80.559 74.788 52.666 1.00 0.00 WT4 O ATOM 48317 H1 TIP3 1322 80.049 73.998 52.487 1.00 0.00 WT4 H ATOM 48318 H2 TIP3 1322 79.971 75.344 53.177 1.00 0.00 WT4 H ATOM 48319 OH2 TIP3 1327 40.685 47.986 42.475 1.00 0.00 WT4 O ATOM 48320 H1 TIP3 1327 40.266 48.456 43.196 1.00 0.00 WT4 H ATOM 48321 H2 TIP3 1327 40.120 47.229 42.322 1.00 0.00 WT4 H ATOM 48322 OH2 TIP3 1328 20.897 36.482 40.871 1.00 0.00 WT4 O ATOM 48323 H1 TIP3 1328 21.540 36.231 41.534 1.00 0.00 WT4 H ATOM 48324 H2 TIP3 1328 21.264 37.267 40.465 1.00 0.00 WT4 H ATOM 48325 OH2 TIP3 1329 41.990 73.071 57.333 1.00 0.00 WT4 O ATOM 48326 H1 TIP3 1329 41.591 72.482 56.693 1.00 0.00 WT4 H ATOM 48327 H2 TIP3 1329 42.374 73.773 56.807 1.00 0.00 WT4 H ATOM 48328 OH2 TIP3 1330 37.660 68.055 15.922 1.00 0.00 WT4 O ATOM 48329 H1 TIP3 1330 37.769 67.446 16.652 1.00 0.00 WT4 H ATOM 48330 H2 TIP3 1330 38.360 67.825 15.311 1.00 0.00 WT4 H ATOM 48331 OH2 TIP3 1331 32.491 69.213 40.361 1.00 0.00 WT4 O ATOM 48332 H1 TIP3 1331 32.556 69.380 41.302 1.00 0.00 WT4 H ATOM 48333 H2 TIP3 1331 33.326 68.804 40.133 1.00 0.00 WT4 H ATOM 48334 OH2 TIP3 1333 43.629 3.976 -1.721 1.00 0.00 WT4 O ATOM 48335 H1 TIP3 1333 42.796 3.993 -2.191 1.00 0.00 WT4 H ATOM 48336 H2 TIP3 1333 43.618 4.768 -1.183 1.00 0.00 WT4 H ATOM 48337 OH2 TIP3 1344 84.883 54.497 7.690 1.00 0.00 WT4 O ATOM 48338 H1 TIP3 1344 84.591 53.639 7.999 1.00 0.00 WT4 H ATOM 48339 H2 TIP3 1344 84.725 55.084 8.430 1.00 0.00 WT4 H ATOM 48340 OH2 TIP3 1349 27.052 66.585 46.879 1.00 0.00 WT4 O ATOM 48341 H1 TIP3 1349 27.081 66.414 45.938 1.00 0.00 WT4 H ATOM 48342 H2 TIP3 1349 27.366 65.775 47.280 1.00 0.00 WT4 H ATOM 48343 OH2 TIP3 1350 33.545 62.896 55.361 1.00 0.00 WT4 O ATOM 48344 H1 TIP3 1350 34.119 62.463 54.730 1.00 0.00 WT4 H ATOM 48345 H2 TIP3 1350 32.900 62.229 55.596 1.00 0.00 WT4 H ATOM 48346 OH2 TIP3 1351 52.482 56.681 49.669 1.00 0.00 WT4 O ATOM 48347 H1 TIP3 1351 52.113 56.316 48.865 1.00 0.00 WT4 H ATOM 48348 H2 TIP3 1351 52.628 57.606 49.469 1.00 0.00 WT4 H ATOM 48349 OH2 TIP3 1352 84.824 53.200 55.622 1.00 0.00 WT4 O ATOM 48350 H1 TIP3 1352 85.319 53.045 54.818 1.00 0.00 WT4 H ATOM 48351 H2 TIP3 1352 84.165 53.850 55.377 1.00 0.00 WT4 H ATOM 48352 OH2 TIP3 1354 22.131 44.170 58.689 1.00 0.00 WT4 O ATOM 48353 H1 TIP3 1354 22.522 44.685 59.395 1.00 0.00 WT4 H ATOM 48354 H2 TIP3 1354 22.419 43.273 58.859 1.00 0.00 WT4 H ATOM 48355 OH2 TIP3 1367 22.148 14.323 63.708 1.00 0.00 WT4 O ATOM 48356 H1 TIP3 1367 21.212 14.501 63.618 1.00 0.00 WT4 H ATOM 48357 H2 TIP3 1367 22.557 15.188 63.717 1.00 0.00 WT4 H ATOM 48358 OH2 TIP3 1368 39.363 6.334 -15.176 1.00 0.00 WT4 O ATOM 48359 H1 TIP3 1368 40.152 6.868 -15.260 1.00 0.00 WT4 H ATOM 48360 H2 TIP3 1368 39.598 5.653 -14.546 1.00 0.00 WT4 H ATOM 48361 OH2 TIP3 1370 37.570 75.618 23.826 1.00 0.00 WT4 O ATOM 48362 H1 TIP3 1370 38.147 74.939 23.478 1.00 0.00 WT4 H ATOM 48363 H2 TIP3 1370 38.142 76.166 24.364 1.00 0.00 WT4 H ATOM 48364 OH2 TIP3 1371 84.972 56.531 -5.850 1.00 0.00 WT4 O ATOM 48365 H1 TIP3 1371 84.234 55.938 -5.709 1.00 0.00 WT4 H ATOM 48366 H2 TIP3 1371 85.743 56.014 -5.620 1.00 0.00 WT4 H ATOM 48367 OH2 TIP3 1374 29.822 68.595 46.157 1.00 0.00 WT4 O ATOM 48368 H1 TIP3 1374 30.173 68.047 45.455 1.00 0.00 WT4 H ATOM 48369 H2 TIP3 1374 30.027 69.491 45.887 1.00 0.00 WT4 H ATOM 48370 OH2 TIP3 1375 79.848 69.690 56.453 1.00 0.00 WT4 O ATOM 48371 H1 TIP3 1375 79.369 68.890 56.239 1.00 0.00 WT4 H ATOM 48372 H2 TIP3 1375 80.693 69.383 56.781 1.00 0.00 WT4 H ATOM 48373 OH2 TIP3 1386 22.774 67.213 36.758 1.00 0.00 WT4 O ATOM 48374 H1 TIP3 1386 22.829 66.269 36.612 1.00 0.00 WT4 H ATOM 48375 H2 TIP3 1386 21.951 67.473 36.345 1.00 0.00 WT4 H ATOM 48376 OH2 TIP3 1387 50.915 71.673 8.241 1.00 0.00 WT4 O ATOM 48377 H1 TIP3 1387 51.178 72.581 8.394 1.00 0.00 WT4 H ATOM 48378 H2 TIP3 1387 51.610 71.151 8.640 1.00 0.00 WT4 H ATOM 48379 OH2 TIP3 1388 47.303 14.523 -19.622 1.00 0.00 WT4 O ATOM 48380 H1 TIP3 1388 47.116 13.624 -19.892 1.00 0.00 WT4 H ATOM 48381 H2 TIP3 1388 48.257 14.562 -19.562 1.00 0.00 WT4 H ATOM 48382 OH2 TIP3 1389 44.715 7.836 46.431 1.00 0.00 WT4 O ATOM 48383 H1 TIP3 1389 44.762 8.613 45.873 1.00 0.00 WT4 H ATOM 48384 H2 TIP3 1389 44.047 8.049 47.083 1.00 0.00 WT4 H ATOM 48385 OH2 TIP3 1392 47.964 71.993 2.543 1.00 0.00 WT4 O ATOM 48386 H1 TIP3 1392 48.058 71.376 1.818 1.00 0.00 WT4 H ATOM 48387 H2 TIP3 1392 48.835 72.034 2.938 1.00 0.00 WT4 H ATOM 48388 OH2 TIP3 1393 25.171 6.602 -10.438 1.00 0.00 WT4 O ATOM 48389 H1 TIP3 1393 25.758 7.354 -10.521 1.00 0.00 WT4 H ATOM 48390 H2 TIP3 1393 24.717 6.744 -9.607 1.00 0.00 WT4 H ATOM 48391 OH2 TIP3 1407 41.273 80.583 65.116 1.00 0.00 WT4 O ATOM 48392 H1 TIP3 1407 41.445 81.219 64.421 1.00 0.00 WT4 H ATOM 48393 H2 TIP3 1407 41.995 80.701 65.733 1.00 0.00 WT4 H ATOM 48394 OH2 TIP3 1408 84.865 59.927 45.537 1.00 0.00 WT4 O ATOM 48395 H1 TIP3 1408 85.037 60.442 46.326 1.00 0.00 WT4 H ATOM 48396 H2 TIP3 1408 85.313 59.095 45.691 1.00 0.00 WT4 H ATOM 48397 OH2 TIP3 1411 42.700 28.054 -10.434 1.00 0.00 WT4 O ATOM 48398 H1 TIP3 1411 43.028 27.237 -10.059 1.00 0.00 WT4 H ATOM 48399 H2 TIP3 1411 41.822 28.152 -10.065 1.00 0.00 WT4 H ATOM 48400 OH2 TIP3 1412 59.154 58.615 34.931 1.00 0.00 WT4 O ATOM 48401 H1 TIP3 1412 59.406 58.823 34.031 1.00 0.00 WT4 H ATOM 48402 H2 TIP3 1412 58.242 58.332 34.865 1.00 0.00 WT4 H ATOM 48403 OH2 TIP3 1413 86.463 54.778 60.840 1.00 0.00 WT4 O ATOM 48404 H1 TIP3 1413 85.934 54.204 61.393 1.00 0.00 WT4 H ATOM 48405 H2 TIP3 1413 86.041 55.634 60.909 1.00 0.00 WT4 H ATOM 48406 OH2 TIP3 1414 80.110 34.267 -0.253 1.00 0.00 WT4 O ATOM 48407 H1 TIP3 1414 80.108 35.138 -0.651 1.00 0.00 WT4 H ATOM 48408 H2 TIP3 1414 79.309 34.241 0.270 1.00 0.00 WT4 H ATOM 48409 OH2 TIP3 1415 84.578 68.979 -3.813 1.00 0.00 WT4 O ATOM 48410 H1 TIP3 1415 85.192 68.614 -4.451 1.00 0.00 WT4 H ATOM 48411 H2 TIP3 1415 83.721 68.662 -4.096 1.00 0.00 WT4 H ATOM 48412 OH2 TIP3 1418 79.340 88.162 5.145 1.00 0.00 WT4 O ATOM 48413 H1 TIP3 1418 79.261 88.580 4.287 1.00 0.00 WT4 H ATOM 48414 H2 TIP3 1418 80.228 88.374 5.434 1.00 0.00 WT4 H ATOM 48415 OH2 TIP3 1425 88.144 1.859 5.528 1.00 0.00 WT4 O ATOM 48416 H1 TIP3 1425 87.778 2.073 4.670 1.00 0.00 WT4 H ATOM 48417 H2 TIP3 1425 88.811 1.197 5.347 1.00 0.00 WT4 H ATOM 48418 OH2 TIP3 1427 39.098 45.019 -9.771 1.00 0.00 WT4 O ATOM 48419 H1 TIP3 1427 39.483 45.242 -10.619 1.00 0.00 WT4 H ATOM 48420 H2 TIP3 1427 38.791 44.119 -9.875 1.00 0.00 WT4 H ATOM 48421 OH2 TIP3 1428 20.941 48.706 9.384 1.00 0.00 WT4 O ATOM 48422 H1 TIP3 1428 21.638 49.169 9.848 1.00 0.00 WT4 H ATOM 48423 H2 TIP3 1428 20.179 49.280 9.459 1.00 0.00 WT4 H ATOM 48424 OH2 TIP3 1429 72.528 26.438 61.438 1.00 0.00 WT4 O ATOM 48425 H1 TIP3 1429 72.965 27.196 61.049 1.00 0.00 WT4 H ATOM 48426 H2 TIP3 1429 72.774 25.704 60.874 1.00 0.00 WT4 H ATOM 48427 OH2 TIP3 1430 59.220 90.386 -8.452 1.00 0.00 WT4 O ATOM 48428 H1 TIP3 1430 58.373 89.950 -8.545 1.00 0.00 WT4 H ATOM 48429 H2 TIP3 1430 59.084 91.030 -7.757 1.00 0.00 WT4 H ATOM 48430 OH2 TIP3 1431 71.415 79.313 62.821 1.00 0.00 WT4 O ATOM 48431 H1 TIP3 1431 71.651 78.668 63.488 1.00 0.00 WT4 H ATOM 48432 H2 TIP3 1431 71.167 78.790 62.059 1.00 0.00 WT4 H ATOM 48433 OH2 TIP3 1433 89.906 89.093 -0.181 1.00 0.00 WT4 O ATOM 48434 H1 TIP3 1433 90.816 89.058 0.111 1.00 0.00 WT4 H ATOM 48435 H2 TIP3 1433 89.477 89.684 0.438 1.00 0.00 WT4 H ATOM 48436 OH2 TIP3 1435 75.599 86.158 -4.311 1.00 0.00 WT4 O ATOM 48437 H1 TIP3 1435 75.413 85.246 -4.088 1.00 0.00 WT4 H ATOM 48438 H2 TIP3 1435 75.572 86.182 -5.268 1.00 0.00 WT4 H ATOM 48439 OH2 TIP3 1450 56.535 81.939 -8.945 1.00 0.00 WT4 O ATOM 48440 H1 TIP3 1450 56.485 81.102 -9.405 1.00 0.00 WT4 H ATOM 48441 H2 TIP3 1450 57.059 81.754 -8.165 1.00 0.00 WT4 H ATOM 48442 OH2 TIP3 1451 50.080 87.730 56.022 1.00 0.00 WT4 O ATOM 48443 H1 TIP3 1451 50.211 87.009 56.638 1.00 0.00 WT4 H ATOM 48444 H2 TIP3 1451 50.170 87.327 55.159 1.00 0.00 WT4 H ATOM 48445 OH2 TIP3 1452 34.808 17.943 29.966 1.00 0.00 WT4 O ATOM 48446 H1 TIP3 1452 35.372 18.285 29.273 1.00 0.00 WT4 H ATOM 48447 H2 TIP3 1452 33.949 17.853 29.553 1.00 0.00 WT4 H ATOM 48448 OH2 TIP3 1453 31.117 75.671 64.441 1.00 0.00 WT4 O ATOM 48449 H1 TIP3 1453 30.798 75.281 65.255 1.00 0.00 WT4 H ATOM 48450 H2 TIP3 1453 31.578 74.959 63.998 1.00 0.00 WT4 H ATOM 48451 OH2 TIP3 1454 84.417 33.062 57.970 1.00 0.00 WT4 O ATOM 48452 H1 TIP3 1454 83.763 33.716 58.216 1.00 0.00 WT4 H ATOM 48453 H2 TIP3 1454 85.222 33.355 58.398 1.00 0.00 WT4 H ATOM 48454 OH2 TIP3 1457 32.188 75.216 -3.966 1.00 0.00 WT4 O ATOM 48455 H1 TIP3 1457 32.304 74.679 -4.750 1.00 0.00 WT4 H ATOM 48456 H2 TIP3 1457 31.995 74.587 -3.270 1.00 0.00 WT4 H ATOM 48457 OH2 TIP3 1458 28.356 87.797 18.630 1.00 0.00 WT4 O ATOM 48458 H1 TIP3 1458 27.911 86.950 18.662 1.00 0.00 WT4 H ATOM 48459 H2 TIP3 1458 28.595 87.977 19.540 1.00 0.00 WT4 H ATOM 48460 OH2 TIP3 1474 36.093 60.447 55.674 1.00 0.00 WT4 O ATOM 48461 H1 TIP3 1474 36.075 60.578 54.726 1.00 0.00 WT4 H ATOM 48462 H2 TIP3 1474 36.884 60.903 55.964 1.00 0.00 WT4 H ATOM 48463 OH2 TIP3 1478 57.776 6.158 43.256 1.00 0.00 WT4 O ATOM 48464 H1 TIP3 1478 56.945 6.480 42.906 1.00 0.00 WT4 H ATOM 48465 H2 TIP3 1478 57.771 5.221 43.062 1.00 0.00 WT4 H ATOM 48466 OH2 TIP3 1480 47.001 32.475 -4.026 1.00 0.00 WT4 O ATOM 48467 H1 TIP3 1480 46.929 32.886 -3.164 1.00 0.00 WT4 H ATOM 48468 H2 TIP3 1480 47.320 33.172 -4.599 1.00 0.00 WT4 H ATOM 48469 OH2 TIP3 1493 80.516 80.923 60.957 1.00 0.00 WT4 O ATOM 48470 H1 TIP3 1493 80.566 80.930 60.001 1.00 0.00 WT4 H ATOM 48471 H2 TIP3 1493 80.416 79.998 61.184 1.00 0.00 WT4 H ATOM 48472 OH2 TIP3 1494 72.922 38.242 -15.680 1.00 0.00 WT4 O ATOM 48473 H1 TIP3 1494 73.668 38.607 -15.205 1.00 0.00 WT4 H ATOM 48474 H2 TIP3 1494 73.302 37.874 -16.477 1.00 0.00 WT4 H ATOM 48475 OH2 TIP3 1496 39.185 61.145 0.904 1.00 0.00 WT4 O ATOM 48476 H1 TIP3 1496 38.915 62.033 0.667 1.00 0.00 WT4 H ATOM 48477 H2 TIP3 1496 39.736 61.261 1.678 1.00 0.00 WT4 H ATOM 48478 OH2 TIP3 1497 84.405 28.754 31.322 1.00 0.00 WT4 O ATOM 48479 H1 TIP3 1497 85.148 28.153 31.378 1.00 0.00 WT4 H ATOM 48480 H2 TIP3 1497 84.803 29.622 31.255 1.00 0.00 WT4 H ATOM 48481 OH2 TIP3 1499 51.006 54.050 45.144 1.00 0.00 WT4 O ATOM 48482 H1 TIP3 1499 51.851 53.710 44.851 1.00 0.00 WT4 H ATOM 48483 H2 TIP3 1499 50.896 54.869 44.659 1.00 0.00 WT4 H ATOM 48484 OH2 TIP3 1512 23.013 75.224 37.176 1.00 0.00 WT4 O ATOM 48485 H1 TIP3 1512 23.767 74.795 36.770 1.00 0.00 WT4 H ATOM 48486 H2 TIP3 1512 23.042 74.943 38.091 1.00 0.00 WT4 H ATOM 48487 OH2 TIP3 1515 76.122 81.024 28.568 1.00 0.00 WT4 O ATOM 48488 H1 TIP3 1515 75.887 80.126 28.330 1.00 0.00 WT4 H ATOM 48489 H2 TIP3 1515 75.319 81.526 28.429 1.00 0.00 WT4 H ATOM 48490 OH2 TIP3 1519 73.851 71.840 58.256 1.00 0.00 WT4 O ATOM 48491 H1 TIP3 1519 72.918 71.802 58.466 1.00 0.00 WT4 H ATOM 48492 H2 TIP3 1519 74.061 70.964 57.933 1.00 0.00 WT4 H ATOM 48493 OH2 TIP3 1532 72.973 80.520 48.923 1.00 0.00 WT4 O ATOM 48494 H1 TIP3 1532 72.591 80.110 48.147 1.00 0.00 WT4 H ATOM 48495 H2 TIP3 1532 73.073 81.441 48.682 1.00 0.00 WT4 H ATOM 48496 OH2 TIP3 1551 54.384 89.565 51.563 1.00 0.00 WT4 O ATOM 48497 H1 TIP3 1551 55.248 89.973 51.507 1.00 0.00 WT4 H ATOM 48498 H2 TIP3 1551 53.967 89.771 50.727 1.00 0.00 WT4 H ATOM 48499 OH2 TIP3 1558 29.573 66.125 0.692 1.00 0.00 WT4 O ATOM 48500 H1 TIP3 1558 29.727 67.066 0.771 1.00 0.00 WT4 H ATOM 48501 H2 TIP3 1558 30.437 65.754 0.513 1.00 0.00 WT4 H ATOM 48502 OH2 TIP3 1559 69.736 30.962 41.933 1.00 0.00 WT4 O ATOM 48503 H1 TIP3 1559 69.513 30.994 41.002 1.00 0.00 WT4 H ATOM 48504 H2 TIP3 1559 69.403 31.786 42.288 1.00 0.00 WT4 H ATOM 48505 OH2 TIP3 1618 64.460 5.377 5.797 1.00 0.00 WT4 O ATOM 48506 H1 TIP3 1618 64.197 4.808 5.074 1.00 0.00 WT4 H ATOM 48507 H2 TIP3 1618 64.109 6.237 5.566 1.00 0.00 WT4 H ATOM 48508 OH2 TIP3 1621 30.323 45.796 -12.224 1.00 0.00 WT4 O ATOM 48509 H1 TIP3 1621 31.089 45.281 -12.474 1.00 0.00 WT4 H ATOM 48510 H2 TIP3 1621 29.718 45.159 -11.844 1.00 0.00 WT4 H ATOM 48511 OH2 TIP3 1707 48.812 49.521 51.009 1.00 0.00 WT4 O ATOM 48512 H1 TIP3 1707 48.843 50.309 51.552 1.00 0.00 WT4 H ATOM 48513 H2 TIP3 1707 49.708 49.186 51.020 1.00 0.00 WT4 H ATOM 48514 OH2 TIP3 1712 60.278 34.716 33.677 1.00 0.00 WT4 O ATOM 48515 H1 TIP3 1712 59.474 34.507 34.153 1.00 0.00 WT4 H ATOM 48516 H2 TIP3 1712 60.549 33.885 33.288 1.00 0.00 WT4 H ATOM 48517 OH2 TIP3 1723 47.100 61.654 2.635 1.00 0.00 WT4 O ATOM 48518 H1 TIP3 1723 47.537 61.202 3.357 1.00 0.00 WT4 H ATOM 48519 H2 TIP3 1723 46.507 62.271 3.063 1.00 0.00 WT4 H ATOM 48520 OH2 TIP3 1725 56.977 52.564 35.299 1.00 0.00 WT4 O ATOM 48521 H1 TIP3 1725 56.190 52.670 35.834 1.00 0.00 WT4 H ATOM 48522 H2 TIP3 1725 57.058 53.392 34.825 1.00 0.00 WT4 H ATOM 48523 OH2 TIP3 1730 71.797 60.898 51.390 1.00 0.00 WT4 O ATOM 48524 H1 TIP3 1730 72.526 61.439 51.693 1.00 0.00 WT4 H ATOM 48525 H2 TIP3 1730 71.014 61.386 51.647 1.00 0.00 WT4 H ATOM 48526 OH2 TIP3 1733 61.954 2.330 45.746 1.00 0.00 WT4 O ATOM 48527 H1 TIP3 1733 62.547 2.146 45.018 1.00 0.00 WT4 H ATOM 48528 H2 TIP3 1733 62.414 2.004 46.520 1.00 0.00 WT4 H ATOM 48529 OH2 TIP3 1746 40.340 81.925 47.560 1.00 0.00 WT4 O ATOM 48530 H1 TIP3 1746 40.642 82.813 47.753 1.00 0.00 WT4 H ATOM 48531 H2 TIP3 1746 39.494 81.858 48.002 1.00 0.00 WT4 H ATOM 48532 OH2 TIP3 1748 73.685 41.373 -15.346 1.00 0.00 WT4 O ATOM 48533 H1 TIP3 1748 74.167 42.055 -15.813 1.00 0.00 WT4 H ATOM 48534 H2 TIP3 1748 74.327 40.992 -14.747 1.00 0.00 WT4 H ATOM 48535 OH2 TIP3 1750 43.368 83.055 -2.827 1.00 0.00 WT4 O ATOM 48536 H1 TIP3 1750 43.306 82.272 -2.280 1.00 0.00 WT4 H ATOM 48537 H2 TIP3 1750 42.973 83.749 -2.298 1.00 0.00 WT4 H ATOM 48538 OH2 TIP3 1764 51.639 95.144 -11.730 1.00 0.00 WT4 O ATOM 48539 H1 TIP3 1764 52.025 94.274 -11.630 1.00 0.00 WT4 H ATOM 48540 H2 TIP3 1764 51.623 95.293 -12.675 1.00 0.00 WT4 H ATOM 48541 OH2 TIP3 1766 58.869 80.594 32.726 1.00 0.00 WT4 O ATOM 48542 H1 TIP3 1766 58.093 80.064 32.546 1.00 0.00 WT4 H ATOM 48543 H2 TIP3 1766 59.243 80.211 33.520 1.00 0.00 WT4 H ATOM 48544 OH2 TIP3 1768 41.918 21.310 -18.083 1.00 0.00 WT4 O ATOM 48545 H1 TIP3 1768 41.729 21.257 -19.020 1.00 0.00 WT4 H ATOM 48546 H2 TIP3 1768 41.469 20.554 -17.705 1.00 0.00 WT4 H ATOM 48547 OH2 TIP3 1771 75.442 25.770 -10.901 1.00 0.00 WT4 O ATOM 48548 H1 TIP3 1771 75.644 24.998 -11.430 1.00 0.00 WT4 H ATOM 48549 H2 TIP3 1771 76.102 25.766 -10.208 1.00 0.00 WT4 H ATOM 48550 OH2 TIP3 1773 47.107 48.466 -6.442 1.00 0.00 WT4 O ATOM 48551 H1 TIP3 1773 47.316 47.989 -5.640 1.00 0.00 WT4 H ATOM 48552 H2 TIP3 1773 46.790 49.317 -6.140 1.00 0.00 WT4 H ATOM 48553 OH2 TIP3 1788 50.600 18.634 -16.645 1.00 0.00 WT4 O ATOM 48554 H1 TIP3 1788 50.776 17.697 -16.553 1.00 0.00 WT4 H ATOM 48555 H2 TIP3 1788 50.857 18.838 -17.545 1.00 0.00 WT4 H ATOM 48556 OH2 TIP3 1789 73.667 63.073 2.389 1.00 0.00 WT4 O ATOM 48557 H1 TIP3 1789 73.844 63.075 3.330 1.00 0.00 WT4 H ATOM 48558 H2 TIP3 1789 73.133 63.854 2.244 1.00 0.00 WT4 H ATOM 48559 OH2 TIP3 1790 75.275 35.869 -15.639 1.00 0.00 WT4 O ATOM 48560 H1 TIP3 1790 75.968 36.530 -15.637 1.00 0.00 WT4 H ATOM 48561 H2 TIP3 1790 75.201 35.603 -16.555 1.00 0.00 WT4 H ATOM 48562 OH2 TIP3 1795 33.226 46.753 34.570 1.00 0.00 WT4 O ATOM 48563 H1 TIP3 1795 33.180 46.603 35.515 1.00 0.00 WT4 H ATOM 48564 H2 TIP3 1795 34.151 46.928 34.400 1.00 0.00 WT4 H ATOM 48565 OH2 TIP3 1796 22.818 90.866 43.090 1.00 0.00 WT4 O ATOM 48566 H1 TIP3 1796 22.585 90.084 42.590 1.00 0.00 WT4 H ATOM 48567 H2 TIP3 1796 23.621 90.626 43.552 1.00 0.00 WT4 H ATOM 48568 OH2 TIP3 1810 87.984 79.440 36.189 1.00 0.00 WT4 O ATOM 48569 H1 TIP3 1810 88.086 79.231 35.260 1.00 0.00 WT4 H ATOM 48570 H2 TIP3 1810 87.597 78.653 36.571 1.00 0.00 WT4 H ATOM 48571 OH2 TIP3 1811 70.796 32.960 53.254 1.00 0.00 WT4 O ATOM 48572 H1 TIP3 1811 70.143 33.595 53.547 1.00 0.00 WT4 H ATOM 48573 H2 TIP3 1811 71.614 33.256 53.653 1.00 0.00 WT4 H ATOM 48574 OH2 TIP3 1813 29.879 61.287 51.671 1.00 0.00 WT4 O ATOM 48575 H1 TIP3 1813 29.472 60.799 50.955 1.00 0.00 WT4 H ATOM 48576 H2 TIP3 1813 29.777 62.206 51.425 1.00 0.00 WT4 H ATOM 48577 OH2 TIP3 1814 42.919 20.892 30.880 1.00 0.00 WT4 O ATOM 48578 H1 TIP3 1814 43.429 20.502 30.169 1.00 0.00 WT4 H ATOM 48579 H2 TIP3 1814 42.021 20.603 30.717 1.00 0.00 WT4 H ATOM 48580 OH2 TIP3 1816 48.865 91.686 16.131 1.00 0.00 WT4 O ATOM 48581 H1 TIP3 1816 49.819 91.675 16.061 1.00 0.00 WT4 H ATOM 48582 H2 TIP3 1816 48.600 92.487 15.679 1.00 0.00 WT4 H ATOM 48583 OH2 TIP3 1829 88.700 85.525 18.853 1.00 0.00 WT4 O ATOM 48584 H1 TIP3 1829 88.364 86.173 19.473 1.00 0.00 WT4 H ATOM 48585 H2 TIP3 1829 89.611 85.780 18.710 1.00 0.00 WT4 H ATOM 48586 OH2 TIP3 1830 58.395 45.441 48.165 1.00 0.00 WT4 O ATOM 48587 H1 TIP3 1830 57.459 45.416 47.966 1.00 0.00 WT4 H ATOM 48588 H2 TIP3 1830 58.765 44.711 47.669 1.00 0.00 WT4 H ATOM 48589 OH2 TIP3 1831 45.422 67.135 65.098 1.00 0.00 WT4 O ATOM 48590 H1 TIP3 1831 45.279 67.932 64.587 1.00 0.00 WT4 H ATOM 48591 H2 TIP3 1831 44.637 67.053 65.639 1.00 0.00 WT4 H ATOM 48592 OH2 TIP3 1832 24.488 64.020 26.074 1.00 0.00 WT4 O ATOM 48593 H1 TIP3 1832 25.107 63.594 25.480 1.00 0.00 WT4 H ATOM 48594 H2 TIP3 1832 23.626 63.795 25.725 1.00 0.00 WT4 H ATOM 48595 OH2 TIP3 1835 56.750 64.105 52.051 1.00 0.00 WT4 O ATOM 48596 H1 TIP3 1835 57.481 64.169 51.437 1.00 0.00 WT4 H ATOM 48597 H2 TIP3 1835 56.031 64.566 51.618 1.00 0.00 WT4 H ATOM 48598 OH2 TIP3 1837 31.484 25.226 45.800 1.00 0.00 WT4 O ATOM 48599 H1 TIP3 1837 31.897 24.480 45.365 1.00 0.00 WT4 H ATOM 48600 H2 TIP3 1837 31.179 25.783 45.084 1.00 0.00 WT4 H ATOM 48601 OH2 TIP3 1847 23.950 93.246 -10.697 1.00 0.00 WT4 O ATOM 48602 H1 TIP3 1847 23.638 92.881 -9.868 1.00 0.00 WT4 H ATOM 48603 H2 TIP3 1847 24.714 93.770 -10.456 1.00 0.00 WT4 H ATOM 48604 OH2 TIP3 1850 89.089 4.003 44.163 1.00 0.00 WT4 O ATOM 48605 H1 TIP3 1850 89.492 4.845 43.949 1.00 0.00 WT4 H ATOM 48606 H2 TIP3 1850 89.544 3.714 44.954 1.00 0.00 WT4 H ATOM 48607 OH2 TIP3 1851 65.986 78.832 -14.660 1.00 0.00 WT4 O ATOM 48608 H1 TIP3 1851 65.301 78.322 -14.228 1.00 0.00 WT4 H ATOM 48609 H2 TIP3 1851 66.089 78.418 -15.517 1.00 0.00 WT4 H ATOM 48610 OH2 TIP3 1852 78.790 6.130 50.932 1.00 0.00 WT4 O ATOM 48611 H1 TIP3 1852 79.537 6.174 50.336 1.00 0.00 WT4 H ATOM 48612 H2 TIP3 1852 78.032 6.019 50.359 1.00 0.00 WT4 H ATOM 48613 OH2 TIP3 1853 38.834 39.744 44.848 1.00 0.00 WT4 O ATOM 48614 H1 TIP3 1853 39.043 40.506 44.307 1.00 0.00 WT4 H ATOM 48615 H2 TIP3 1853 37.962 39.930 45.197 1.00 0.00 WT4 H ATOM 48616 OH2 TIP3 1856 41.041 53.230 35.476 1.00 0.00 WT4 O ATOM 48617 H1 TIP3 1856 41.351 53.888 36.099 1.00 0.00 WT4 H ATOM 48618 H2 TIP3 1856 41.087 53.665 34.625 1.00 0.00 WT4 H ATOM 48619 OH2 TIP3 1870 65.386 1.405 46.603 1.00 0.00 WT4 O ATOM 48620 H1 TIP3 1870 65.217 0.582 46.142 1.00 0.00 WT4 H ATOM 48621 H2 TIP3 1870 64.573 1.586 47.075 1.00 0.00 WT4 H ATOM 48622 OH2 TIP3 1871 83.877 62.112 -10.649 1.00 0.00 WT4 O ATOM 48623 H1 TIP3 1871 84.621 62.597 -11.005 1.00 0.00 WT4 H ATOM 48624 H2 TIP3 1871 84.011 62.128 -9.701 1.00 0.00 WT4 H ATOM 48625 OH2 TIP3 1872 39.122 80.803 27.243 1.00 0.00 WT4 O ATOM 48626 H1 TIP3 1872 39.372 79.890 27.387 1.00 0.00 WT4 H ATOM 48627 H2 TIP3 1872 39.920 81.301 27.419 1.00 0.00 WT4 H ATOM 48628 OH2 TIP3 1873 72.258 80.068 -4.039 1.00 0.00 WT4 O ATOM 48629 H1 TIP3 1873 71.816 80.030 -3.191 1.00 0.00 WT4 H ATOM 48630 H2 TIP3 1873 71.724 79.520 -4.613 1.00 0.00 WT4 H ATOM 48631 OH2 TIP3 1875 40.274 74.366 54.403 1.00 0.00 WT4 O ATOM 48632 H1 TIP3 1875 40.298 74.123 53.478 1.00 0.00 WT4 H ATOM 48633 H2 TIP3 1875 39.787 75.190 54.422 1.00 0.00 WT4 H ATOM 48634 OH2 TIP3 1881 74.377 51.058 54.041 1.00 0.00 WT4 O ATOM 48635 H1 TIP3 1881 73.671 51.204 53.411 1.00 0.00 WT4 H ATOM 48636 H2 TIP3 1881 74.881 51.871 54.031 1.00 0.00 WT4 H ATOM 48637 OH2 TIP3 1885 26.491 71.808 8.550 1.00 0.00 WT4 O ATOM 48638 H1 TIP3 1885 27.123 72.525 8.506 1.00 0.00 WT4 H ATOM 48639 H2 TIP3 1885 26.998 71.028 8.324 1.00 0.00 WT4 H ATOM 48640 OH2 TIP3 1891 37.976 79.544 -2.573 1.00 0.00 WT4 O ATOM 48641 H1 TIP3 1891 37.485 80.137 -2.004 1.00 0.00 WT4 H ATOM 48642 H2 TIP3 1891 38.861 79.541 -2.211 1.00 0.00 WT4 H ATOM 48643 OH2 TIP3 1894 47.100 82.276 -1.840 1.00 0.00 WT4 O ATOM 48644 H1 TIP3 1894 47.190 83.120 -2.283 1.00 0.00 WT4 H ATOM 48645 H2 TIP3 1894 47.297 81.628 -2.516 1.00 0.00 WT4 H ATOM 48646 OH2 TIP3 1895 24.183 75.620 50.322 1.00 0.00 WT4 O ATOM 48647 H1 TIP3 1895 23.410 75.897 50.814 1.00 0.00 WT4 H ATOM 48648 H2 TIP3 1895 23.861 74.936 49.735 1.00 0.00 WT4 H ATOM 48649 OH2 TIP3 1896 74.580 12.408 57.615 1.00 0.00 WT4 O ATOM 48650 H1 TIP3 1896 74.788 11.890 56.838 1.00 0.00 WT4 H ATOM 48651 H2 TIP3 1896 73.836 11.956 58.013 1.00 0.00 WT4 H ATOM 48652 OH2 TIP3 1897 85.796 92.113 49.543 1.00 0.00 WT4 O ATOM 48653 H1 TIP3 1897 85.422 92.872 49.096 1.00 0.00 WT4 H ATOM 48654 H2 TIP3 1897 86.437 92.483 50.151 1.00 0.00 WT4 H ATOM 48655 OH2 TIP3 1911 86.536 84.394 14.259 1.00 0.00 WT4 O ATOM 48656 H1 TIP3 1911 86.915 83.824 13.590 1.00 0.00 WT4 H ATOM 48657 H2 TIP3 1911 87.143 85.131 14.319 1.00 0.00 WT4 H ATOM 48658 OH2 TIP3 1912 65.200 12.312 -18.948 1.00 0.00 WT4 O ATOM 48659 H1 TIP3 1912 64.727 12.974 -19.452 1.00 0.00 WT4 H ATOM 48660 H2 TIP3 1912 65.045 12.551 -18.034 1.00 0.00 WT4 H ATOM 48661 OH2 TIP3 1914 70.510 64.041 50.112 1.00 0.00 WT4 O ATOM 48662 H1 TIP3 1914 71.278 63.505 49.913 1.00 0.00 WT4 H ATOM 48663 H2 TIP3 1914 70.340 64.525 49.304 1.00 0.00 WT4 H ATOM 48664 OH2 TIP3 1915 50.878 2.468 54.923 1.00 0.00 WT4 O ATOM 48665 H1 TIP3 1915 50.267 2.517 55.658 1.00 0.00 WT4 H ATOM 48666 H2 TIP3 1915 51.037 3.381 54.682 1.00 0.00 WT4 H ATOM 48667 OH2 TIP3 1917 77.947 92.650 8.341 1.00 0.00 WT4 O ATOM 48668 H1 TIP3 1917 78.670 93.171 8.691 1.00 0.00 WT4 H ATOM 48669 H2 TIP3 1917 78.364 91.857 8.004 1.00 0.00 WT4 H ATOM 48670 OH2 TIP3 1919 67.532 58.012 52.912 1.00 0.00 WT4 O ATOM 48671 H1 TIP3 1919 66.959 57.564 53.534 1.00 0.00 WT4 H ATOM 48672 H2 TIP3 1919 67.611 57.404 52.178 1.00 0.00 WT4 H ATOM 48673 OH2 TIP3 1931 73.235 25.480 24.386 1.00 0.00 WT4 O ATOM 48674 H1 TIP3 1931 74.131 25.414 24.715 1.00 0.00 WT4 H ATOM 48675 H2 TIP3 1931 73.334 25.704 23.461 1.00 0.00 WT4 H ATOM 48676 OH2 TIP3 1935 63.042 16.158 0.190 1.00 0.00 WT4 O ATOM 48677 H1 TIP3 1935 62.853 15.220 0.175 1.00 0.00 WT4 H ATOM 48678 H2 TIP3 1935 63.917 16.220 0.571 1.00 0.00 WT4 H ATOM 48679 OH2 TIP3 1936 84.422 66.194 8.342 1.00 0.00 WT4 O ATOM 48680 H1 TIP3 1936 83.886 65.632 8.902 1.00 0.00 WT4 H ATOM 48681 H2 TIP3 1936 84.117 66.009 7.454 1.00 0.00 WT4 H ATOM 48682 OH2 TIP3 1937 58.496 13.653 -18.191 1.00 0.00 WT4 O ATOM 48683 H1 TIP3 1937 58.458 13.383 -19.108 1.00 0.00 WT4 H ATOM 48684 H2 TIP3 1937 58.426 12.837 -17.696 1.00 0.00 WT4 H ATOM 48685 OH2 TIP3 1938 60.511 9.946 24.054 1.00 0.00 WT4 O ATOM 48686 H1 TIP3 1938 61.407 9.861 24.378 1.00 0.00 WT4 H ATOM 48687 H2 TIP3 1938 60.603 9.987 23.102 1.00 0.00 WT4 H ATOM 48688 OH2 TIP3 1950 25.351 58.651 -9.154 1.00 0.00 WT4 O ATOM 48689 H1 TIP3 1950 25.392 58.900 -8.231 1.00 0.00 WT4 H ATOM 48690 H2 TIP3 1950 25.355 57.694 -9.145 1.00 0.00 WT4 H ATOM 48691 OH2 TIP3 1952 79.560 66.509 46.120 1.00 0.00 WT4 O ATOM 48692 H1 TIP3 1952 80.295 66.907 45.653 1.00 0.00 WT4 H ATOM 48693 H2 TIP3 1952 79.339 65.734 45.604 1.00 0.00 WT4 H ATOM 48694 OH2 TIP3 1954 22.599 7.055 2.077 1.00 0.00 WT4 O ATOM 48695 H1 TIP3 1954 21.670 6.956 2.286 1.00 0.00 WT4 H ATOM 48696 H2 TIP3 1954 22.689 7.971 1.814 1.00 0.00 WT4 H ATOM 48697 OH2 TIP3 1955 79.634 74.390 16.111 1.00 0.00 WT4 O ATOM 48698 H1 TIP3 1955 78.994 75.101 16.078 1.00 0.00 WT4 H ATOM 48699 H2 TIP3 1955 79.133 73.605 15.892 1.00 0.00 WT4 H ATOM 48700 OH2 TIP3 1977 53.352 71.456 54.428 1.00 0.00 WT4 O ATOM 48701 H1 TIP3 1977 53.711 70.764 54.985 1.00 0.00 WT4 H ATOM 48702 H2 TIP3 1977 52.430 71.510 54.677 1.00 0.00 WT4 H ATOM 48703 OH2 TIP3 1983 77.798 43.166 55.810 1.00 0.00 WT4 O ATOM 48704 H1 TIP3 1983 78.551 43.341 55.246 1.00 0.00 WT4 H ATOM 48705 H2 TIP3 1983 77.038 43.315 55.249 1.00 0.00 WT4 H ATOM 48706 OH2 TIP3 1993 89.514 93.807 20.376 1.00 0.00 WT4 O ATOM 48707 H1 TIP3 1993 89.577 94.616 20.883 1.00 0.00 WT4 H ATOM 48708 H2 TIP3 1993 90.383 93.411 20.448 1.00 0.00 WT4 H ATOM 48709 OH2 TIP3 2002 58.424 82.142 -14.657 1.00 0.00 WT4 O ATOM 48710 H1 TIP3 2002 57.916 82.652 -15.288 1.00 0.00 WT4 H ATOM 48711 H2 TIP3 2002 57.781 81.847 -14.013 1.00 0.00 WT4 H ATOM 48712 OH2 TIP3 2021 40.683 51.580 -15.699 1.00 0.00 WT4 O ATOM 48713 H1 TIP3 2021 40.711 51.979 -16.569 1.00 0.00 WT4 H ATOM 48714 H2 TIP3 2021 41.307 52.089 -15.181 1.00 0.00 WT4 H ATOM 48715 OH2 TIP3 2105 60.089 95.292 29.782 1.00 0.00 WT4 O ATOM 48716 H1 TIP3 2105 60.354 95.390 28.868 1.00 0.00 WT4 H ATOM 48717 H2 TIP3 2105 60.287 94.379 29.993 1.00 0.00 WT4 H ATOM 48718 OH2 TIP3 2123 83.649 70.863 40.995 1.00 0.00 WT4 O ATOM 48719 H1 TIP3 2123 83.111 70.096 40.796 1.00 0.00 WT4 H ATOM 48720 H2 TIP3 2123 84.251 70.933 40.254 1.00 0.00 WT4 H ATOM 48721 OH2 TIP3 2163 71.776 76.068 7.445 1.00 0.00 WT4 O ATOM 48722 H1 TIP3 2163 71.116 76.281 8.105 1.00 0.00 WT4 H ATOM 48723 H2 TIP3 2163 72.422 75.540 7.913 1.00 0.00 WT4 H ATOM 48724 OH2 TIP3 2165 39.018 31.154 56.935 1.00 0.00 WT4 O ATOM 48725 H1 TIP3 2165 38.571 31.803 57.478 1.00 0.00 WT4 H ATOM 48726 H2 TIP3 2165 39.101 31.574 56.079 1.00 0.00 WT4 H ATOM 48727 OH2 TIP3 2167 71.911 11.850 48.944 1.00 0.00 WT4 O ATOM 48728 H1 TIP3 2167 71.464 12.614 49.309 1.00 0.00 WT4 H ATOM 48729 H2 TIP3 2167 71.502 11.718 48.089 1.00 0.00 WT4 H ATOM 48730 OH2 TIP3 2185 84.074 1.152 62.417 1.00 0.00 WT4 O ATOM 48731 H1 TIP3 2185 84.750 0.745 62.960 1.00 0.00 WT4 H ATOM 48732 H2 TIP3 2185 83.256 0.977 62.881 1.00 0.00 WT4 H ATOM 48733 OH2 TIP3 2186 41.363 52.514 59.935 1.00 0.00 WT4 O ATOM 48734 H1 TIP3 2186 40.481 52.551 60.304 1.00 0.00 WT4 H ATOM 48735 H2 TIP3 2186 41.385 53.224 59.293 1.00 0.00 WT4 H ATOM 48736 OH2 TIP3 2187 83.569 89.264 2.204 1.00 0.00 WT4 O ATOM 48737 H1 TIP3 2187 83.505 88.358 1.905 1.00 0.00 WT4 H ATOM 48738 H2 TIP3 2187 84.235 89.243 2.892 1.00 0.00 WT4 H ATOM 48739 OH2 TIP3 2208 74.043 88.631 31.412 1.00 0.00 WT4 O ATOM 48740 H1 TIP3 2208 74.246 87.758 31.747 1.00 0.00 WT4 H ATOM 48741 H2 TIP3 2208 73.164 88.547 31.042 1.00 0.00 WT4 H ATOM 48742 OH2 TIP3 2227 38.283 55.158 43.814 1.00 0.00 WT4 O ATOM 48743 H1 TIP3 2227 38.264 54.275 44.182 1.00 0.00 WT4 H ATOM 48744 H2 TIP3 2227 39.165 55.249 43.455 1.00 0.00 WT4 H ATOM 48745 OH2 TIP3 2229 70.780 71.063 56.604 1.00 0.00 WT4 O ATOM 48746 H1 TIP3 2229 70.967 71.583 57.385 1.00 0.00 WT4 H ATOM 48747 H2 TIP3 2229 70.587 70.187 56.939 1.00 0.00 WT4 H ATOM 48748 OH2 TIP3 2231 90.165 50.613 17.891 1.00 0.00 WT4 O ATOM 48749 H1 TIP3 2231 89.441 50.171 17.447 1.00 0.00 WT4 H ATOM 48750 H2 TIP3 2231 90.760 50.867 17.185 1.00 0.00 WT4 H ATOM 48751 OH2 TIP3 2232 80.822 86.893 -18.094 1.00 0.00 WT4 O ATOM 48752 H1 TIP3 2232 80.849 87.604 -17.453 1.00 0.00 WT4 H ATOM 48753 H2 TIP3 2232 80.585 86.119 -17.584 1.00 0.00 WT4 H ATOM 48754 OH2 TIP3 2251 38.714 22.644 25.822 1.00 0.00 WT4 O ATOM 48755 H1 TIP3 2251 38.321 23.024 25.036 1.00 0.00 WT4 H ATOM 48756 H2 TIP3 2251 39.247 21.918 25.497 1.00 0.00 WT4 H ATOM 48757 OH2 TIP3 2253 40.206 78.528 27.539 1.00 0.00 WT4 O ATOM 48758 H1 TIP3 2253 40.660 78.394 26.707 1.00 0.00 WT4 H ATOM 48759 H2 TIP3 2253 40.148 77.654 27.925 1.00 0.00 WT4 H ATOM 48760 OH2 TIP3 2254 82.654 63.902 44.931 1.00 0.00 WT4 O ATOM 48761 H1 TIP3 2254 82.015 63.616 44.278 1.00 0.00 WT4 H ATOM 48762 H2 TIP3 2254 82.208 64.597 45.416 1.00 0.00 WT4 H ATOM 48763 OH2 TIP3 2269 68.555 92.075 -8.888 1.00 0.00 WT4 O ATOM 48764 H1 TIP3 2269 67.883 92.202 -9.558 1.00 0.00 WT4 H ATOM 48765 H2 TIP3 2269 69.375 92.313 -9.322 1.00 0.00 WT4 H ATOM 48766 OH2 TIP3 2270 85.225 52.478 52.673 1.00 0.00 WT4 O ATOM 48767 H1 TIP3 2270 84.838 51.719 53.110 1.00 0.00 WT4 H ATOM 48768 H2 TIP3 2270 86.044 52.149 52.303 1.00 0.00 WT4 H ATOM 48769 OH2 TIP3 2271 65.169 60.060 65.685 1.00 0.00 WT4 O ATOM 48770 H1 TIP3 2271 65.870 60.472 65.181 1.00 0.00 WT4 H ATOM 48771 H2 TIP3 2271 64.656 60.793 66.027 1.00 0.00 WT4 H ATOM 48772 OH2 TIP3 2272 24.237 47.344 -3.044 1.00 0.00 WT4 O ATOM 48773 H1 TIP3 2272 24.104 46.441 -2.756 1.00 0.00 WT4 H ATOM 48774 H2 TIP3 2272 24.660 47.774 -2.301 1.00 0.00 WT4 H ATOM 48775 OH2 TIP3 2273 66.721 74.765 -14.964 1.00 0.00 WT4 O ATOM 48776 H1 TIP3 2273 65.831 75.099 -15.072 1.00 0.00 WT4 H ATOM 48777 H2 TIP3 2273 67.011 74.564 -15.854 1.00 0.00 WT4 H ATOM 48778 OH2 TIP3 2274 30.414 50.169 42.470 1.00 0.00 WT4 O ATOM 48779 H1 TIP3 2274 30.814 50.756 43.111 1.00 0.00 WT4 H ATOM 48780 H2 TIP3 2274 31.040 50.144 41.746 1.00 0.00 WT4 H ATOM 48781 OH2 TIP3 2275 48.013 95.891 8.379 1.00 0.00 WT4 O ATOM 48782 H1 TIP3 2275 48.904 96.174 8.172 1.00 0.00 WT4 H ATOM 48783 H2 TIP3 2275 47.879 96.166 9.286 1.00 0.00 WT4 H ATOM 48784 OH2 TIP3 2277 23.476 82.272 0.720 1.00 0.00 WT4 O ATOM 48785 H1 TIP3 2277 24.112 81.930 0.091 1.00 0.00 WT4 H ATOM 48786 H2 TIP3 2277 23.855 82.071 1.576 1.00 0.00 WT4 H ATOM 48787 OH2 TIP3 2280 51.320 80.241 51.015 1.00 0.00 WT4 O ATOM 48788 H1 TIP3 2280 51.545 80.818 50.284 1.00 0.00 WT4 H ATOM 48789 H2 TIP3 2280 51.532 79.362 50.701 1.00 0.00 WT4 H ATOM 48790 OH2 TIP3 2288 61.785 92.762 35.799 1.00 0.00 WT4 O ATOM 48791 H1 TIP3 2288 61.145 92.159 36.178 1.00 0.00 WT4 H ATOM 48792 H2 TIP3 2288 61.999 93.364 36.511 1.00 0.00 WT4 H ATOM 48793 OH2 TIP3 2292 85.581 74.639 26.648 1.00 0.00 WT4 O ATOM 48794 H1 TIP3 2292 85.644 74.014 25.926 1.00 0.00 WT4 H ATOM 48795 H2 TIP3 2292 86.005 74.199 27.384 1.00 0.00 WT4 H ATOM 48796 OH2 TIP3 2293 39.422 5.806 11.048 1.00 0.00 WT4 O ATOM 48797 H1 TIP3 2293 38.508 5.526 11.004 1.00 0.00 WT4 H ATOM 48798 H2 TIP3 2293 39.477 6.323 11.852 1.00 0.00 WT4 H ATOM 48799 OH2 TIP3 2294 54.210 26.230 -19.639 1.00 0.00 WT4 O ATOM 48800 H1 TIP3 2294 54.594 26.798 -20.307 1.00 0.00 WT4 H ATOM 48801 H2 TIP3 2294 54.287 26.730 -18.826 1.00 0.00 WT4 H ATOM 48802 OH2 TIP3 2296 59.281 76.125 31.185 1.00 0.00 WT4 O ATOM 48803 H1 TIP3 2296 59.960 75.661 30.696 1.00 0.00 WT4 H ATOM 48804 H2 TIP3 2296 59.164 75.608 31.982 1.00 0.00 WT4 H ATOM 48805 OH2 TIP3 2309 38.946 60.708 55.625 1.00 0.00 WT4 O ATOM 48806 H1 TIP3 2309 39.158 61.478 55.097 1.00 0.00 WT4 H ATOM 48807 H2 TIP3 2309 39.059 59.969 55.027 1.00 0.00 WT4 H ATOM 48808 OH2 TIP3 2311 59.718 2.139 -9.458 1.00 0.00 WT4 O ATOM 48809 H1 TIP3 2311 59.672 1.291 -9.016 1.00 0.00 WT4 H ATOM 48810 H2 TIP3 2311 59.245 2.738 -8.881 1.00 0.00 WT4 H ATOM 48811 OH2 TIP3 2312 30.810 38.357 -10.440 1.00 0.00 WT4 O ATOM 48812 H1 TIP3 2312 30.389 37.502 -10.529 1.00 0.00 WT4 H ATOM 48813 H2 TIP3 2312 31.670 38.245 -10.846 1.00 0.00 WT4 H ATOM 48814 OH2 TIP3 2313 33.931 95.654 47.596 1.00 0.00 WT4 O ATOM 48815 H1 TIP3 2313 34.642 96.283 47.717 1.00 0.00 WT4 H ATOM 48816 H2 TIP3 2313 34.099 94.973 48.246 1.00 0.00 WT4 H ATOM 48817 OH2 TIP3 2314 60.694 95.622 40.612 1.00 0.00 WT4 O ATOM 48818 H1 TIP3 2314 60.036 95.877 39.965 1.00 0.00 WT4 H ATOM 48819 H2 TIP3 2314 61.211 96.415 40.754 1.00 0.00 WT4 H ATOM 48820 OH2 TIP3 2315 76.916 26.908 29.082 1.00 0.00 WT4 O ATOM 48821 H1 TIP3 2315 76.594 27.770 28.818 1.00 0.00 WT4 H ATOM 48822 H2 TIP3 2315 77.848 26.922 28.863 1.00 0.00 WT4 H ATOM 48823 OH2 TIP3 2316 55.233 34.227 52.827 1.00 0.00 WT4 O ATOM 48824 H1 TIP3 2316 55.402 33.528 52.196 1.00 0.00 WT4 H ATOM 48825 H2 TIP3 2316 55.046 34.996 52.289 1.00 0.00 WT4 H ATOM 48826 OH2 TIP3 2317 78.802 55.130 52.281 1.00 0.00 WT4 O ATOM 48827 H1 TIP3 2317 78.096 54.489 52.367 1.00 0.00 WT4 H ATOM 48828 H2 TIP3 2317 78.520 55.702 51.567 1.00 0.00 WT4 H ATOM 48829 OH2 TIP3 2318 73.206 53.466 32.486 1.00 0.00 WT4 O ATOM 48830 H1 TIP3 2318 72.259 53.342 32.430 1.00 0.00 WT4 H ATOM 48831 H2 TIP3 2318 73.534 53.210 31.624 1.00 0.00 WT4 H ATOM 48832 OH2 TIP3 2319 88.122 1.889 -17.939 1.00 0.00 WT4 O ATOM 48833 H1 TIP3 2319 88.760 2.144 -17.272 1.00 0.00 WT4 H ATOM 48834 H2 TIP3 2319 88.597 1.965 -18.767 1.00 0.00 WT4 H ATOM 48835 OH2 TIP3 2329 46.889 40.527 10.187 1.00 0.00 WT4 O ATOM 48836 H1 TIP3 2329 47.494 39.915 9.767 1.00 0.00 WT4 H ATOM 48837 H2 TIP3 2329 47.382 40.882 10.926 1.00 0.00 WT4 H ATOM 48838 OH2 TIP3 2331 76.727 92.502 19.479 1.00 0.00 WT4 O ATOM 48839 H1 TIP3 2331 75.792 92.692 19.556 1.00 0.00 WT4 H ATOM 48840 H2 TIP3 2331 76.769 91.712 18.940 1.00 0.00 WT4 H ATOM 48841 OH2 TIP3 2332 59.807 20.779 20.032 1.00 0.00 WT4 O ATOM 48842 H1 TIP3 2332 59.284 20.287 20.665 1.00 0.00 WT4 H ATOM 48843 H2 TIP3 2332 59.339 20.676 19.203 1.00 0.00 WT4 H ATOM 48844 OH2 TIP3 2333 58.438 25.829 37.077 1.00 0.00 WT4 O ATOM 48845 H1 TIP3 2333 58.790 26.579 36.598 1.00 0.00 WT4 H ATOM 48846 H2 TIP3 2333 57.502 26.015 37.159 1.00 0.00 WT4 H ATOM 48847 OH2 TIP3 2335 67.771 63.331 2.722 1.00 0.00 WT4 O ATOM 48848 H1 TIP3 2335 66.922 63.626 2.395 1.00 0.00 WT4 H ATOM 48849 H2 TIP3 2335 68.002 63.967 3.400 1.00 0.00 WT4 H ATOM 48850 OH2 TIP3 2339 78.729 5.315 60.390 1.00 0.00 WT4 O ATOM 48851 H1 TIP3 2339 78.111 5.950 60.751 1.00 0.00 WT4 H ATOM 48852 H2 TIP3 2339 78.675 4.564 60.981 1.00 0.00 WT4 H ATOM 48853 OH2 TIP3 2351 84.932 63.828 -7.306 1.00 0.00 WT4 O ATOM 48854 H1 TIP3 2351 84.397 64.612 -7.433 1.00 0.00 WT4 H ATOM 48855 H2 TIP3 2351 85.754 64.023 -7.758 1.00 0.00 WT4 H ATOM 48856 OH2 TIP3 2352 60.124 81.567 51.185 1.00 0.00 WT4 O ATOM 48857 H1 TIP3 2352 59.846 82.463 51.375 1.00 0.00 WT4 H ATOM 48858 H2 TIP3 2352 59.975 81.463 50.245 1.00 0.00 WT4 H ATOM 48859 OH2 TIP3 2355 57.849 64.514 40.664 1.00 0.00 WT4 O ATOM 48860 H1 TIP3 2355 57.680 63.572 40.679 1.00 0.00 WT4 H ATOM 48861 H2 TIP3 2355 57.641 64.780 39.768 1.00 0.00 WT4 H ATOM 48862 OH2 TIP3 2357 46.332 43.454 -9.968 1.00 0.00 WT4 O ATOM 48863 H1 TIP3 2357 46.286 42.892 -10.742 1.00 0.00 WT4 H ATOM 48864 H2 TIP3 2357 47.268 43.618 -9.847 1.00 0.00 WT4 H ATOM 48865 OH2 TIP3 2358 38.173 93.437 0.271 1.00 0.00 WT4 O ATOM 48866 H1 TIP3 2358 37.646 93.655 1.040 1.00 0.00 WT4 H ATOM 48867 H2 TIP3 2358 37.539 93.369 -0.443 1.00 0.00 WT4 H ATOM 48868 OH2 TIP3 2359 43.168 39.504 33.432 1.00 0.00 WT4 O ATOM 48869 H1 TIP3 2359 43.110 38.610 33.096 1.00 0.00 WT4 H ATOM 48870 H2 TIP3 2359 43.464 40.023 32.684 1.00 0.00 WT4 H ATOM 48871 OH2 TIP3 2376 87.518 18.780 -18.910 1.00 0.00 WT4 O ATOM 48872 H1 TIP3 2376 87.629 19.311 -18.121 1.00 0.00 WT4 H ATOM 48873 H2 TIP3 2376 87.349 17.896 -18.583 1.00 0.00 WT4 H ATOM 48874 OH2 TIP3 2377 61.908 2.636 24.932 1.00 0.00 WT4 O ATOM 48875 H1 TIP3 2377 62.796 2.744 24.591 1.00 0.00 WT4 H ATOM 48876 H2 TIP3 2377 61.750 1.693 24.898 1.00 0.00 WT4 H ATOM 48877 OH2 TIP3 2378 20.729 33.125 58.455 1.00 0.00 WT4 O ATOM 48878 H1 TIP3 2378 20.199 32.366 58.699 1.00 0.00 WT4 H ATOM 48879 H2 TIP3 2378 20.298 33.865 58.883 1.00 0.00 WT4 H ATOM 48880 OH2 TIP3 2380 66.608 78.779 46.341 1.00 0.00 WT4 O ATOM 48881 H1 TIP3 2380 66.053 78.005 46.434 1.00 0.00 WT4 H ATOM 48882 H2 TIP3 2380 67.231 78.547 45.652 1.00 0.00 WT4 H ATOM 48883 OH2 TIP3 2397 59.729 7.285 50.100 1.00 0.00 WT4 O ATOM 48884 H1 TIP3 2397 59.563 6.972 49.211 1.00 0.00 WT4 H ATOM 48885 H2 TIP3 2397 60.119 6.535 50.549 1.00 0.00 WT4 H ATOM 48886 OH2 TIP3 2398 63.303 1.785 -4.535 1.00 0.00 WT4 O ATOM 48887 H1 TIP3 2398 63.688 1.077 -4.018 1.00 0.00 WT4 H ATOM 48888 H2 TIP3 2398 63.757 2.573 -4.239 1.00 0.00 WT4 H ATOM 48889 OH2 TIP3 2418 63.102 20.770 -3.189 1.00 0.00 WT4 O ATOM 48890 H1 TIP3 2418 63.983 21.060 -3.428 1.00 0.00 WT4 H ATOM 48891 H2 TIP3 2418 62.680 20.570 -4.025 1.00 0.00 WT4 H ATOM 48892 OH2 TIP3 2436 75.603 7.000 2.072 1.00 0.00 WT4 O ATOM 48893 H1 TIP3 2436 75.384 6.148 2.450 1.00 0.00 WT4 H ATOM 48894 H2 TIP3 2436 76.551 7.074 2.180 1.00 0.00 WT4 H ATOM 48895 OH2 TIP3 2477 58.672 73.838 65.563 1.00 0.00 WT4 O ATOM 48896 H1 TIP3 2477 58.166 73.952 66.368 1.00 0.00 WT4 H ATOM 48897 H2 TIP3 2477 58.040 73.505 64.927 1.00 0.00 WT4 H ATOM 48898 OH2 TIP3 2508 36.344 61.016 15.854 1.00 0.00 WT4 O ATOM 48899 H1 TIP3 2508 36.980 60.901 15.148 1.00 0.00 WT4 H ATOM 48900 H2 TIP3 2508 36.877 61.098 16.645 1.00 0.00 WT4 H ATOM 48901 OH2 TIP3 2606 78.545 58.072 -5.443 1.00 0.00 WT4 O ATOM 48902 H1 TIP3 2606 78.319 57.266 -5.907 1.00 0.00 WT4 H ATOM 48903 H2 TIP3 2606 79.132 58.536 -6.039 1.00 0.00 WT4 H ATOM 48904 OH2 TIP3 2607 81.034 59.239 47.397 1.00 0.00 WT4 O ATOM 48905 H1 TIP3 2607 81.650 59.798 47.870 1.00 0.00 WT4 H ATOM 48906 H2 TIP3 2607 80.172 59.510 47.714 1.00 0.00 WT4 H ATOM 48907 OH2 TIP3 2608 24.115 60.477 45.029 1.00 0.00 WT4 O ATOM 48908 H1 TIP3 2608 24.416 59.946 45.766 1.00 0.00 WT4 H ATOM 48909 H2 TIP3 2608 24.867 60.517 44.438 1.00 0.00 WT4 H ATOM 48910 OH2 TIP3 2610 41.926 51.242 39.594 1.00 0.00 WT4 O ATOM 48911 H1 TIP3 2610 42.605 51.525 38.980 1.00 0.00 WT4 H ATOM 48912 H2 TIP3 2610 41.328 50.715 39.064 1.00 0.00 WT4 H ATOM 48913 OH2 TIP3 2624 44.492 4.367 63.572 1.00 0.00 WT4 O ATOM 48914 H1 TIP3 2624 44.546 3.555 63.068 1.00 0.00 WT4 H ATOM 48915 H2 TIP3 2624 44.462 5.059 62.910 1.00 0.00 WT4 H ATOM 48916 OH2 TIP3 2628 47.232 80.029 -3.867 1.00 0.00 WT4 O ATOM 48917 H1 TIP3 2628 47.446 79.342 -4.500 1.00 0.00 WT4 H ATOM 48918 H2 TIP3 2628 47.831 79.877 -3.137 1.00 0.00 WT4 H ATOM 48919 OH2 TIP3 2630 31.996 45.022 29.502 1.00 0.00 WT4 O ATOM 48920 H1 TIP3 2630 32.625 45.195 28.801 1.00 0.00 WT4 H ATOM 48921 H2 TIP3 2630 31.144 45.024 29.067 1.00 0.00 WT4 H ATOM 48922 OH2 TIP3 2632 27.589 33.813 -17.294 1.00 0.00 WT4 O ATOM 48923 H1 TIP3 2632 28.309 34.369 -17.591 1.00 0.00 WT4 H ATOM 48924 H2 TIP3 2632 27.223 33.445 -18.098 1.00 0.00 WT4 H ATOM 48925 OH2 TIP3 2634 40.869 68.088 37.111 1.00 0.00 WT4 O ATOM 48926 H1 TIP3 2634 41.532 68.609 36.657 1.00 0.00 WT4 H ATOM 48927 H2 TIP3 2634 41.203 67.191 37.074 1.00 0.00 WT4 H ATOM 48928 OH2 TIP3 2635 74.637 22.515 56.661 1.00 0.00 WT4 O ATOM 48929 H1 TIP3 2635 74.099 22.095 57.332 1.00 0.00 WT4 H ATOM 48930 H2 TIP3 2635 74.055 22.596 55.905 1.00 0.00 WT4 H ATOM 48931 OH2 TIP3 2649 29.766 76.466 -4.754 1.00 0.00 WT4 O ATOM 48932 H1 TIP3 2649 30.686 76.428 -4.493 1.00 0.00 WT4 H ATOM 48933 H2 TIP3 2649 29.540 75.561 -4.969 1.00 0.00 WT4 H ATOM 48934 OH2 TIP3 2650 48.444 13.640 49.217 1.00 0.00 WT4 O ATOM 48935 H1 TIP3 2650 48.255 14.286 48.537 1.00 0.00 WT4 H ATOM 48936 H2 TIP3 2650 47.726 13.733 49.843 1.00 0.00 WT4 H ATOM 48937 OH2 TIP3 2652 31.258 18.461 -10.757 1.00 0.00 WT4 O ATOM 48938 H1 TIP3 2652 30.571 18.691 -10.131 1.00 0.00 WT4 H ATOM 48939 H2 TIP3 2652 30.952 17.648 -11.161 1.00 0.00 WT4 H ATOM 48940 OH2 TIP3 2654 39.842 62.682 54.075 1.00 0.00 WT4 O ATOM 48941 H1 TIP3 2654 39.049 63.166 53.842 1.00 0.00 WT4 H ATOM 48942 H2 TIP3 2654 40.559 63.222 53.744 1.00 0.00 WT4 H ATOM 48943 OH2 TIP3 2667 73.398 44.206 -7.093 1.00 0.00 WT4 O ATOM 48944 H1 TIP3 2667 73.627 44.185 -6.164 1.00 0.00 WT4 H ATOM 48945 H2 TIP3 2667 72.449 44.330 -7.103 1.00 0.00 WT4 H ATOM 48946 OH2 TIP3 2669 23.146 0.502 -15.082 1.00 0.00 WT4 O ATOM 48947 H1 TIP3 2669 23.704 0.072 -14.434 1.00 0.00 WT4 H ATOM 48948 H2 TIP3 2669 22.319 0.655 -14.624 1.00 0.00 WT4 H ATOM 48949 OH2 TIP3 2670 67.832 78.301 42.748 1.00 0.00 WT4 O ATOM 48950 H1 TIP3 2670 68.398 77.887 42.096 1.00 0.00 WT4 H ATOM 48951 H2 TIP3 2670 68.431 78.804 43.300 1.00 0.00 WT4 H ATOM 48952 OH2 TIP3 2672 34.554 73.076 48.118 1.00 0.00 WT4 O ATOM 48953 H1 TIP3 2672 34.627 72.562 48.922 1.00 0.00 WT4 H ATOM 48954 H2 TIP3 2672 35.397 72.957 47.680 1.00 0.00 WT4 H ATOM 48955 OH2 TIP3 2673 49.814 8.484 25.895 1.00 0.00 WT4 O ATOM 48956 H1 TIP3 2673 48.913 8.172 25.969 1.00 0.00 WT4 H ATOM 48957 H2 TIP3 2673 49.900 9.135 26.591 1.00 0.00 WT4 H ATOM 48958 OH2 TIP3 2674 47.986 65.881 -3.547 1.00 0.00 WT4 O ATOM 48959 H1 TIP3 2674 48.210 65.171 -2.944 1.00 0.00 WT4 H ATOM 48960 H2 TIP3 2674 47.566 66.540 -2.995 1.00 0.00 WT4 H ATOM 48961 OH2 TIP3 2676 36.355 63.466 18.021 1.00 0.00 WT4 O ATOM 48962 H1 TIP3 2676 36.877 62.669 18.112 1.00 0.00 WT4 H ATOM 48963 H2 TIP3 2676 36.466 63.723 17.106 1.00 0.00 WT4 H ATOM 48964 OH2 TIP3 2690 52.002 37.893 3.047 1.00 0.00 WT4 O ATOM 48965 H1 TIP3 2690 52.857 37.863 3.477 1.00 0.00 WT4 H ATOM 48966 H2 TIP3 2690 51.372 37.782 3.758 1.00 0.00 WT4 H ATOM 48967 OH2 TIP3 2691 25.742 85.604 37.365 1.00 0.00 WT4 O ATOM 48968 H1 TIP3 2691 25.343 84.734 37.353 1.00 0.00 WT4 H ATOM 48969 H2 TIP3 2691 26.455 85.550 36.728 1.00 0.00 WT4 H ATOM 48970 OH2 TIP3 2692 87.000 87.058 40.025 1.00 0.00 WT4 O ATOM 48971 H1 TIP3 2692 86.372 87.579 40.525 1.00 0.00 WT4 H ATOM 48972 H2 TIP3 2692 86.819 87.276 39.111 1.00 0.00 WT4 H ATOM 48973 OH2 TIP3 2694 78.389 66.185 11.945 1.00 0.00 WT4 O ATOM 48974 H1 TIP3 2694 77.939 67.029 11.927 1.00 0.00 WT4 H ATOM 48975 H2 TIP3 2694 78.812 66.156 12.803 1.00 0.00 WT4 H ATOM 48976 OH2 TIP3 2695 26.372 24.353 19.172 1.00 0.00 WT4 O ATOM 48977 H1 TIP3 2695 25.517 24.732 19.378 1.00 0.00 WT4 H ATOM 48978 H2 TIP3 2695 26.995 24.880 19.672 1.00 0.00 WT4 H ATOM 48979 OH2 TIP3 2697 55.776 76.198 -11.622 1.00 0.00 WT4 O ATOM 48980 H1 TIP3 2697 56.475 75.756 -12.104 1.00 0.00 WT4 H ATOM 48981 H2 TIP3 2697 54.997 75.668 -11.787 1.00 0.00 WT4 H ATOM 48982 OH2 TIP3 2701 37.582 27.839 59.538 1.00 0.00 WT4 O ATOM 48983 H1 TIP3 2701 37.085 27.032 59.404 1.00 0.00 WT4 H ATOM 48984 H2 TIP3 2701 37.906 27.775 60.436 1.00 0.00 WT4 H ATOM 48985 OH2 TIP3 2709 56.901 87.663 -9.418 1.00 0.00 WT4 O ATOM 48986 H1 TIP3 2709 57.101 86.850 -9.883 1.00 0.00 WT4 H ATOM 48987 H2 TIP3 2709 57.490 88.311 -9.803 1.00 0.00 WT4 H ATOM 48988 OH2 TIP3 2710 62.788 3.794 4.333 1.00 0.00 WT4 O ATOM 48989 H1 TIP3 2710 62.718 2.855 4.505 1.00 0.00 WT4 H ATOM 48990 H2 TIP3 2710 62.027 4.176 4.770 1.00 0.00 WT4 H ATOM 48991 OH2 TIP3 2713 27.557 92.885 27.426 1.00 0.00 WT4 O ATOM 48992 H1 TIP3 2713 27.415 92.309 26.675 1.00 0.00 WT4 H ATOM 48993 H2 TIP3 2713 26.682 93.034 27.784 1.00 0.00 WT4 H ATOM 48994 OH2 TIP3 2714 83.718 58.782 12.687 1.00 0.00 WT4 O ATOM 48995 H1 TIP3 2714 83.273 58.640 11.851 1.00 0.00 WT4 H ATOM 48996 H2 TIP3 2714 83.746 59.733 12.785 1.00 0.00 WT4 H ATOM 48997 OH2 TIP3 2717 24.886 54.248 -8.470 1.00 0.00 WT4 O ATOM 48998 H1 TIP3 2717 24.901 54.627 -9.349 1.00 0.00 WT4 H ATOM 48999 H2 TIP3 2717 24.022 54.477 -8.126 1.00 0.00 WT4 H ATOM 49000 OH2 TIP3 2732 29.748 68.265 56.925 1.00 0.00 WT4 O ATOM 49001 H1 TIP3 2732 30.145 67.417 56.724 1.00 0.00 WT4 H ATOM 49002 H2 TIP3 2732 29.325 68.531 56.109 1.00 0.00 WT4 H ATOM 49003 OH2 TIP3 2734 85.836 80.574 16.323 1.00 0.00 WT4 O ATOM 49004 H1 TIP3 2734 85.778 81.293 16.953 1.00 0.00 WT4 H ATOM 49005 H2 TIP3 2734 85.076 80.025 16.515 1.00 0.00 WT4 H ATOM 49006 OH2 TIP3 2735 23.953 60.748 18.396 1.00 0.00 WT4 O ATOM 49007 H1 TIP3 2735 23.912 60.459 19.308 1.00 0.00 WT4 H ATOM 49008 H2 TIP3 2735 23.105 60.501 18.027 1.00 0.00 WT4 H ATOM 49009 OH2 TIP3 2736 89.326 58.946 13.290 1.00 0.00 WT4 O ATOM 49010 H1 TIP3 2736 89.338 58.773 14.232 1.00 0.00 WT4 H ATOM 49011 H2 TIP3 2736 89.982 59.631 13.164 1.00 0.00 WT4 H ATOM 49012 OH2 TIP3 2753 86.554 80.187 30.647 1.00 0.00 WT4 O ATOM 49013 H1 TIP3 2753 85.905 79.491 30.544 1.00 0.00 WT4 H ATOM 49014 H2 TIP3 2753 87.376 79.793 30.356 1.00 0.00 WT4 H ATOM 49015 OH2 TIP3 2754 20.830 60.273 51.559 1.00 0.00 WT4 O ATOM 49016 H1 TIP3 2754 20.362 59.791 52.242 1.00 0.00 WT4 H ATOM 49017 H2 TIP3 2754 20.642 61.193 51.743 1.00 0.00 WT4 H ATOM 49018 OH2 TIP3 2755 84.252 90.968 11.109 1.00 0.00 WT4 O ATOM 49019 H1 TIP3 2755 84.205 91.593 10.385 1.00 0.00 WT4 H ATOM 49020 H2 TIP3 2755 83.472 91.148 11.632 1.00 0.00 WT4 H ATOM 49021 OH2 TIP3 2757 27.633 10.933 61.721 1.00 0.00 WT4 O ATOM 49022 H1 TIP3 2757 27.142 11.738 61.884 1.00 0.00 WT4 H ATOM 49023 H2 TIP3 2757 27.025 10.230 61.949 1.00 0.00 WT4 H ATOM 49024 OH2 TIP3 2758 28.043 66.734 67.194 1.00 0.00 WT4 O ATOM 49025 H1 TIP3 2758 27.416 67.066 66.552 1.00 0.00 WT4 H ATOM 49026 H2 TIP3 2758 28.859 67.192 66.994 1.00 0.00 WT4 H ATOM 49027 OH2 TIP3 2771 70.510 86.398 41.353 1.00 0.00 WT4 O ATOM 49028 H1 TIP3 2771 69.976 87.010 40.846 1.00 0.00 WT4 H ATOM 49029 H2 TIP3 2771 70.671 85.668 40.755 1.00 0.00 WT4 H ATOM 49030 OH2 TIP3 2773 63.296 84.996 58.084 1.00 0.00 WT4 O ATOM 49031 H1 TIP3 2773 62.544 85.579 58.187 1.00 0.00 WT4 H ATOM 49032 H2 TIP3 2773 63.957 85.532 57.646 1.00 0.00 WT4 H ATOM 49033 OH2 TIP3 2774 58.089 26.807 61.523 1.00 0.00 WT4 O ATOM 49034 H1 TIP3 2774 58.740 27.445 61.229 1.00 0.00 WT4 H ATOM 49035 H2 TIP3 2774 57.332 26.960 60.957 1.00 0.00 WT4 H ATOM 49036 OH2 TIP3 2775 73.708 95.571 28.549 1.00 0.00 WT4 O ATOM 49037 H1 TIP3 2775 73.827 94.642 28.747 1.00 0.00 WT4 H ATOM 49038 H2 TIP3 2775 73.036 95.588 27.868 1.00 0.00 WT4 H ATOM 49039 OH2 TIP3 2776 59.068 9.579 49.236 1.00 0.00 WT4 O ATOM 49040 H1 TIP3 2776 59.582 9.544 48.429 1.00 0.00 WT4 H ATOM 49041 H2 TIP3 2776 59.379 8.835 49.751 1.00 0.00 WT4 H ATOM 49042 OH2 TIP3 2777 20.838 70.038 -4.741 1.00 0.00 WT4 O ATOM 49043 H1 TIP3 2777 19.937 70.216 -5.011 1.00 0.00 WT4 H ATOM 49044 H2 TIP3 2777 20.753 69.447 -3.993 1.00 0.00 WT4 H ATOM 49045 OH2 TIP3 2778 79.441 85.153 58.671 1.00 0.00 WT4 O ATOM 49046 H1 TIP3 2778 79.308 84.432 59.287 1.00 0.00 WT4 H ATOM 49047 H2 TIP3 2778 78.574 85.313 58.298 1.00 0.00 WT4 H ATOM 49048 OH2 TIP3 2793 69.939 68.985 62.702 1.00 0.00 WT4 O ATOM 49049 H1 TIP3 2793 69.923 69.054 61.748 1.00 0.00 WT4 H ATOM 49050 H2 TIP3 2793 69.862 68.047 62.876 1.00 0.00 WT4 H ATOM 49051 OH2 TIP3 2794 89.594 43.382 65.728 1.00 0.00 WT4 O ATOM 49052 H1 TIP3 2794 89.682 43.082 66.633 1.00 0.00 WT4 H ATOM 49053 H2 TIP3 2794 89.745 44.326 65.773 1.00 0.00 WT4 H ATOM 49054 OH2 TIP3 2795 51.750 58.144 -1.680 1.00 0.00 WT4 O ATOM 49055 H1 TIP3 2795 51.962 58.296 -0.759 1.00 0.00 WT4 H ATOM 49056 H2 TIP3 2795 51.565 59.016 -2.030 1.00 0.00 WT4 H ATOM 49057 OH2 TIP3 2797 65.546 5.226 11.137 1.00 0.00 WT4 O ATOM 49058 H1 TIP3 2797 65.563 5.518 10.225 1.00 0.00 WT4 H ATOM 49059 H2 TIP3 2797 65.336 4.293 11.086 1.00 0.00 WT4 H ATOM 49060 OH2 TIP3 2815 39.999 31.923 3.594 1.00 0.00 WT4 O ATOM 49061 H1 TIP3 2815 40.482 31.118 3.782 1.00 0.00 WT4 H ATOM 49062 H2 TIP3 2815 40.675 32.559 3.359 1.00 0.00 WT4 H ATOM 49063 OH2 TIP3 2817 76.241 81.769 10.503 1.00 0.00 WT4 O ATOM 49064 H1 TIP3 2817 77.044 81.900 9.999 1.00 0.00 WT4 H ATOM 49065 H2 TIP3 2817 75.536 81.951 9.882 1.00 0.00 WT4 H ATOM 49066 OH2 TIP3 2818 89.538 28.010 31.402 1.00 0.00 WT4 O ATOM 49067 H1 TIP3 2818 89.947 28.864 31.263 1.00 0.00 WT4 H ATOM 49068 H2 TIP3 2818 90.111 27.392 30.948 1.00 0.00 WT4 H ATOM 49069 OH2 TIP3 2820 59.992 87.583 35.637 1.00 0.00 WT4 O ATOM 49070 H1 TIP3 2820 60.176 86.678 35.888 1.00 0.00 WT4 H ATOM 49071 H2 TIP3 2820 59.274 87.850 36.210 1.00 0.00 WT4 H ATOM 49072 OH2 TIP3 2821 26.390 15.207 59.649 1.00 0.00 WT4 O ATOM 49073 H1 TIP3 2821 26.140 14.527 59.024 1.00 0.00 WT4 H ATOM 49074 H2 TIP3 2821 26.005 14.923 60.479 1.00 0.00 WT4 H ATOM 49075 OH2 TIP3 2832 72.684 69.158 30.929 1.00 0.00 WT4 O ATOM 49076 H1 TIP3 2832 72.158 69.841 30.513 1.00 0.00 WT4 H ATOM 49077 H2 TIP3 2832 72.047 68.606 31.382 1.00 0.00 WT4 H ATOM 49078 OH2 TIP3 2842 86.951 14.955 -2.925 1.00 0.00 WT4 O ATOM 49079 H1 TIP3 2842 86.229 15.526 -2.661 1.00 0.00 WT4 H ATOM 49080 H2 TIP3 2842 87.725 15.517 -2.895 1.00 0.00 WT4 H ATOM 49081 OH2 TIP3 2843 52.631 29.402 -9.542 1.00 0.00 WT4 O ATOM 49082 H1 TIP3 2843 52.452 29.570 -8.617 1.00 0.00 WT4 H ATOM 49083 H2 TIP3 2843 52.121 28.619 -9.747 1.00 0.00 WT4 H ATOM 49084 OH2 TIP3 2857 28.188 48.553 52.863 1.00 0.00 WT4 O ATOM 49085 H1 TIP3 2857 27.703 48.824 52.083 1.00 0.00 WT4 H ATOM 49086 H2 TIP3 2857 28.487 49.372 53.257 1.00 0.00 WT4 H ATOM 49087 OH2 TIP3 2862 67.023 53.107 65.213 1.00 0.00 WT4 O ATOM 49088 H1 TIP3 2862 66.587 53.168 64.364 1.00 0.00 WT4 H ATOM 49089 H2 TIP3 2862 67.181 54.016 65.467 1.00 0.00 WT4 H ATOM 49090 OH2 TIP3 2877 27.974 96.347 63.244 1.00 0.00 WT4 O ATOM 49091 H1 TIP3 2877 28.110 97.016 63.915 1.00 0.00 WT4 H ATOM 49092 H2 TIP3 2877 27.265 95.803 63.587 1.00 0.00 WT4 H ATOM 49093 OH2 TIP3 2878 62.573 88.476 56.254 1.00 0.00 WT4 O ATOM 49094 H1 TIP3 2878 62.002 88.256 56.990 1.00 0.00 WT4 H ATOM 49095 H2 TIP3 2878 62.761 87.635 55.836 1.00 0.00 WT4 H ATOM 49096 OH2 TIP3 2944 32.413 35.053 -17.395 1.00 0.00 WT4 O ATOM 49097 H1 TIP3 2944 32.367 34.184 -16.996 1.00 0.00 WT4 H ATOM 49098 H2 TIP3 2944 32.505 35.653 -16.655 1.00 0.00 WT4 H ATOM 49099 OH2 TIP3 3010 35.150 71.621 65.628 1.00 0.00 WT4 O ATOM 49100 H1 TIP3 3010 35.023 71.427 66.557 1.00 0.00 WT4 H ATOM 49101 H2 TIP3 3010 35.063 72.572 65.568 1.00 0.00 WT4 H ATOM 49102 OH2 TIP3 3012 42.047 66.833 -6.815 1.00 0.00 WT4 O ATOM 49103 H1 TIP3 3012 42.181 65.903 -7.001 1.00 0.00 WT4 H ATOM 49104 H2 TIP3 3012 42.231 66.919 -5.880 1.00 0.00 WT4 H ATOM 49105 OH2 TIP3 3027 71.823 80.457 15.461 1.00 0.00 WT4 O ATOM 49106 H1 TIP3 3027 71.392 81.217 15.070 1.00 0.00 WT4 H ATOM 49107 H2 TIP3 3027 71.256 79.719 15.240 1.00 0.00 WT4 H ATOM 49108 OH2 TIP3 3046 60.208 92.792 53.541 1.00 0.00 WT4 O ATOM 49109 H1 TIP3 3046 61.145 92.601 53.501 1.00 0.00 WT4 H ATOM 49110 H2 TIP3 3046 60.105 93.598 53.035 1.00 0.00 WT4 H ATOM 49111 OH2 TIP3 3049 67.681 87.819 -9.152 1.00 0.00 WT4 O ATOM 49112 H1 TIP3 3049 68.436 88.190 -8.694 1.00 0.00 WT4 H ATOM 49113 H2 TIP3 3049 66.987 88.468 -9.035 1.00 0.00 WT4 H ATOM 49114 OH2 TIP3 3050 51.570 55.916 -18.619 1.00 0.00 WT4 O ATOM 49115 H1 TIP3 3050 50.758 55.447 -18.424 1.00 0.00 WT4 H ATOM 49116 H2 TIP3 3050 51.632 55.902 -19.574 1.00 0.00 WT4 H ATOM 49117 OH2 TIP3 3070 52.509 0.536 54.184 1.00 0.00 WT4 O ATOM 49118 H1 TIP3 3070 52.003 -0.226 54.466 1.00 0.00 WT4 H ATOM 49119 H2 TIP3 3070 51.995 1.288 54.478 1.00 0.00 WT4 H ATOM 49120 OH2 TIP3 3072 62.498 3.976 64.979 1.00 0.00 WT4 O ATOM 49121 H1 TIP3 3072 62.277 4.901 65.087 1.00 0.00 WT4 H ATOM 49122 H2 TIP3 3072 63.423 3.977 64.732 1.00 0.00 WT4 H ATOM 49123 OH2 TIP3 3073 47.877 27.396 39.427 1.00 0.00 WT4 O ATOM 49124 H1 TIP3 3073 47.155 26.876 39.779 1.00 0.00 WT4 H ATOM 49125 H2 TIP3 3073 47.714 28.282 39.748 1.00 0.00 WT4 H ATOM 49126 OH2 TIP3 3092 65.038 77.289 48.458 1.00 0.00 WT4 O ATOM 49127 H1 TIP3 3092 64.473 77.854 47.932 1.00 0.00 WT4 H ATOM 49128 H2 TIP3 3092 65.319 76.601 47.854 1.00 0.00 WT4 H ATOM 49129 OH2 TIP3 3095 62.304 88.915 3.545 1.00 0.00 WT4 O ATOM 49130 H1 TIP3 3095 61.360 88.797 3.440 1.00 0.00 WT4 H ATOM 49131 H2 TIP3 3095 62.410 89.847 3.735 1.00 0.00 WT4 H ATOM 49132 OH2 TIP3 3097 25.140 51.245 48.019 1.00 0.00 WT4 O ATOM 49133 H1 TIP3 3097 24.883 50.999 48.908 1.00 0.00 WT4 H ATOM 49134 H2 TIP3 3097 25.570 52.094 48.121 1.00 0.00 WT4 H ATOM 49135 OH2 TIP3 3108 34.391 30.104 14.652 1.00 0.00 WT4 O ATOM 49136 H1 TIP3 3108 35.128 30.524 15.095 1.00 0.00 WT4 H ATOM 49137 H2 TIP3 3108 33.615 30.494 15.055 1.00 0.00 WT4 H ATOM 49138 OH2 TIP3 3109 36.025 54.977 45.270 1.00 0.00 WT4 O ATOM 49139 H1 TIP3 3109 36.487 55.138 46.093 1.00 0.00 WT4 H ATOM 49140 H2 TIP3 3109 36.677 55.149 44.591 1.00 0.00 WT4 H ATOM 49141 OH2 TIP3 3111 24.462 34.699 -14.911 1.00 0.00 WT4 O ATOM 49142 H1 TIP3 3111 24.928 34.220 -14.226 1.00 0.00 WT4 H ATOM 49143 H2 TIP3 3111 23.537 34.590 -14.693 1.00 0.00 WT4 H ATOM 49144 OH2 TIP3 3112 47.808 17.108 63.373 1.00 0.00 WT4 O ATOM 49145 H1 TIP3 3112 47.876 17.636 62.578 1.00 0.00 WT4 H ATOM 49146 H2 TIP3 3112 47.443 16.274 63.076 1.00 0.00 WT4 H ATOM 49147 OH2 TIP3 3114 32.809 16.764 22.180 1.00 0.00 WT4 O ATOM 49148 H1 TIP3 3114 33.432 17.430 22.471 1.00 0.00 WT4 H ATOM 49149 H2 TIP3 3114 32.113 17.258 21.748 1.00 0.00 WT4 H ATOM 49150 OH2 TIP3 3115 43.375 63.838 64.807 1.00 0.00 WT4 O ATOM 49151 H1 TIP3 3115 43.080 64.393 64.084 1.00 0.00 WT4 H ATOM 49152 H2 TIP3 3115 43.615 64.454 65.499 1.00 0.00 WT4 H ATOM 49153 OH2 TIP3 3116 64.322 5.741 52.211 1.00 0.00 WT4 O ATOM 49154 H1 TIP3 3116 65.230 5.462 52.093 1.00 0.00 WT4 H ATOM 49155 H2 TIP3 3116 64.123 5.529 53.123 1.00 0.00 WT4 H ATOM 49156 OH2 TIP3 3133 64.590 46.823 11.872 1.00 0.00 WT4 O ATOM 49157 H1 TIP3 3133 64.971 46.312 12.586 1.00 0.00 WT4 H ATOM 49158 H2 TIP3 3133 63.817 47.234 12.259 1.00 0.00 WT4 H ATOM 49159 OH2 TIP3 3134 45.794 92.586 -19.314 1.00 0.00 WT4 O ATOM 49160 H1 TIP3 3134 45.937 92.071 -20.108 1.00 0.00 WT4 H ATOM 49161 H2 TIP3 3134 45.835 93.496 -19.608 1.00 0.00 WT4 H ATOM 49162 OH2 TIP3 3140 82.496 49.098 56.032 1.00 0.00 WT4 O ATOM 49163 H1 TIP3 3140 82.150 49.234 56.914 1.00 0.00 WT4 H ATOM 49164 H2 TIP3 3140 82.196 48.223 55.788 1.00 0.00 WT4 H ATOM 49165 OH2 TIP3 3150 39.155 86.790 -10.417 1.00 0.00 WT4 O ATOM 49166 H1 TIP3 3150 39.841 87.456 -10.445 1.00 0.00 WT4 H ATOM 49167 H2 TIP3 3150 38.574 87.073 -9.711 1.00 0.00 WT4 H ATOM 49168 OH2 TIP3 3151 42.686 45.075 65.223 1.00 0.00 WT4 O ATOM 49169 H1 TIP3 3151 42.853 46.015 65.295 1.00 0.00 WT4 H ATOM 49170 H2 TIP3 3151 43.446 44.731 64.755 1.00 0.00 WT4 H ATOM 49171 OH2 TIP3 3152 65.069 75.032 34.532 1.00 0.00 WT4 O ATOM 49172 H1 TIP3 3152 65.141 74.467 33.762 1.00 0.00 WT4 H ATOM 49173 H2 TIP3 3152 64.388 75.664 34.301 1.00 0.00 WT4 H ATOM 49174 OH2 TIP3 3154 67.291 81.671 -1.201 1.00 0.00 WT4 O ATOM 49175 H1 TIP3 3154 66.368 81.518 -1.403 1.00 0.00 WT4 H ATOM 49176 H2 TIP3 3154 67.515 82.464 -1.687 1.00 0.00 WT4 H ATOM 49177 OH2 TIP3 3157 58.501 93.385 66.927 1.00 0.00 WT4 O ATOM 49178 H1 TIP3 3157 57.718 93.568 67.446 1.00 0.00 WT4 H ATOM 49179 H2 TIP3 3157 58.382 92.486 66.621 1.00 0.00 WT4 H ATOM 49180 OH2 TIP3 3173 83.813 85.873 28.777 1.00 0.00 WT4 O ATOM 49181 H1 TIP3 3173 84.007 85.898 29.714 1.00 0.00 WT4 H ATOM 49182 H2 TIP3 3173 83.600 84.957 28.600 1.00 0.00 WT4 H ATOM 49183 OH2 TIP3 3174 73.985 61.034 67.086 1.00 0.00 WT4 O ATOM 49184 H1 TIP3 3174 73.968 60.690 66.192 1.00 0.00 WT4 H ATOM 49185 H2 TIP3 3174 74.864 61.401 67.184 1.00 0.00 WT4 H ATOM 49186 OH2 TIP3 3176 64.366 61.487 47.163 1.00 0.00 WT4 O ATOM 49187 H1 TIP3 3176 64.593 61.229 48.056 1.00 0.00 WT4 H ATOM 49188 H2 TIP3 3176 65.118 61.216 46.636 1.00 0.00 WT4 H ATOM 49189 OH2 TIP3 3177 59.816 10.380 -4.137 1.00 0.00 WT4 O ATOM 49190 H1 TIP3 3177 59.812 9.498 -4.509 1.00 0.00 WT4 H ATOM 49191 H2 TIP3 3177 60.719 10.514 -3.849 1.00 0.00 WT4 H ATOM 49192 OH2 TIP3 3179 51.660 94.443 50.567 1.00 0.00 WT4 O ATOM 49193 H1 TIP3 3179 51.431 94.032 49.734 1.00 0.00 WT4 H ATOM 49194 H2 TIP3 3179 52.027 93.732 51.092 1.00 0.00 WT4 H ATOM 49195 OH2 TIP3 3180 83.627 73.129 61.708 1.00 0.00 WT4 O ATOM 49196 H1 TIP3 3180 83.864 72.777 60.850 1.00 0.00 WT4 H ATOM 49197 H2 TIP3 3180 82.822 72.669 61.943 1.00 0.00 WT4 H ATOM 49198 OH2 TIP3 3187 44.626 19.866 54.961 1.00 0.00 WT4 O ATOM 49199 H1 TIP3 3187 45.436 20.345 54.784 1.00 0.00 WT4 H ATOM 49200 H2 TIP3 3187 44.761 19.479 55.826 1.00 0.00 WT4 H ATOM 49201 OH2 TIP3 3192 64.428 57.205 47.203 1.00 0.00 WT4 O ATOM 49202 H1 TIP3 3192 63.971 57.938 47.614 1.00 0.00 WT4 H ATOM 49203 H2 TIP3 3192 64.488 56.542 47.892 1.00 0.00 WT4 H ATOM 49204 OH2 TIP3 3193 34.003 60.605 24.859 1.00 0.00 WT4 O ATOM 49205 H1 TIP3 3193 34.778 60.570 24.298 1.00 0.00 WT4 H ATOM 49206 H2 TIP3 3193 34.050 61.463 25.280 1.00 0.00 WT4 H ATOM 49207 OH2 TIP3 3195 47.440 85.427 30.854 1.00 0.00 WT4 O ATOM 49208 H1 TIP3 3195 47.964 85.103 30.121 1.00 0.00 WT4 H ATOM 49209 H2 TIP3 3195 46.783 84.746 30.998 1.00 0.00 WT4 H ATOM 49210 OH2 TIP3 3196 66.508 4.215 -19.975 1.00 0.00 WT4 O ATOM 49211 H1 TIP3 3196 66.450 4.545 -19.079 1.00 0.00 WT4 H ATOM 49212 H2 TIP3 3196 65.738 4.575 -20.415 1.00 0.00 WT4 H ATOM 49213 OH2 TIP3 3198 66.461 4.656 -13.844 1.00 0.00 WT4 O ATOM 49214 H1 TIP3 3198 65.703 5.239 -13.873 1.00 0.00 WT4 H ATOM 49215 H2 TIP3 3198 66.091 3.788 -13.683 1.00 0.00 WT4 H ATOM 49216 OH2 TIP3 3200 85.712 50.725 32.041 1.00 0.00 WT4 O ATOM 49217 H1 TIP3 3200 86.067 50.445 31.197 1.00 0.00 WT4 H ATOM 49218 H2 TIP3 3200 84.940 51.245 31.816 1.00 0.00 WT4 H ATOM 49219 OH2 TIP3 3202 38.012 74.764 4.746 1.00 0.00 WT4 O ATOM 49220 H1 TIP3 3202 37.447 74.112 4.331 1.00 0.00 WT4 H ATOM 49221 H2 TIP3 3202 38.576 74.256 5.330 1.00 0.00 WT4 H ATOM 49222 OH2 TIP3 3214 83.506 73.851 1.237 1.00 0.00 WT4 O ATOM 49223 H1 TIP3 3214 83.192 73.529 0.392 1.00 0.00 WT4 H ATOM 49224 H2 TIP3 3214 83.249 74.773 1.253 1.00 0.00 WT4 H ATOM 49225 OH2 TIP3 3215 78.297 0.543 12.757 1.00 0.00 WT4 O ATOM 49226 H1 TIP3 3215 77.958 -0.186 12.238 1.00 0.00 WT4 H ATOM 49227 H2 TIP3 3215 79.241 0.533 12.598 1.00 0.00 WT4 H ATOM 49228 OH2 TIP3 3218 70.772 33.069 -0.326 1.00 0.00 WT4 O ATOM 49229 H1 TIP3 3218 71.088 33.842 -0.794 1.00 0.00 WT4 H ATOM 49230 H2 TIP3 3218 69.838 33.030 -0.531 1.00 0.00 WT4 H ATOM 49231 OH2 TIP3 3233 52.487 47.172 -11.637 1.00 0.00 WT4 O ATOM 49232 H1 TIP3 3233 51.924 47.876 -11.317 1.00 0.00 WT4 H ATOM 49233 H2 TIP3 3233 53.320 47.305 -11.184 1.00 0.00 WT4 H ATOM 49234 OH2 TIP3 3234 58.568 87.937 47.198 1.00 0.00 WT4 O ATOM 49235 H1 TIP3 3234 57.987 88.687 47.069 1.00 0.00 WT4 H ATOM 49236 H2 TIP3 3234 58.169 87.233 46.688 1.00 0.00 WT4 H ATOM 49237 OH2 TIP3 3236 34.842 13.006 -7.751 1.00 0.00 WT4 O ATOM 49238 H1 TIP3 3236 33.972 13.330 -7.517 1.00 0.00 WT4 H ATOM 49239 H2 TIP3 3236 34.678 12.160 -8.169 1.00 0.00 WT4 H ATOM 49240 OH2 TIP3 3237 35.004 89.901 44.044 1.00 0.00 WT4 O ATOM 49241 H1 TIP3 3237 35.362 90.669 44.488 1.00 0.00 WT4 H ATOM 49242 H2 TIP3 3237 35.549 89.174 44.344 1.00 0.00 WT4 H ATOM 49243 OH2 TIP3 3238 67.389 19.430 3.957 1.00 0.00 WT4 O ATOM 49244 H1 TIP3 3238 68.120 18.957 4.353 1.00 0.00 WT4 H ATOM 49245 H2 TIP3 3238 66.886 18.755 3.501 1.00 0.00 WT4 H ATOM 49246 OH2 TIP3 3240 39.367 18.374 66.024 1.00 0.00 WT4 O ATOM 49247 H1 TIP3 3240 39.181 17.886 65.222 1.00 0.00 WT4 H ATOM 49248 H2 TIP3 3240 38.802 17.973 66.685 1.00 0.00 WT4 H ATOM 49249 OH2 TIP3 3242 43.811 3.666 1.818 1.00 0.00 WT4 O ATOM 49250 H1 TIP3 3242 43.458 4.548 1.936 1.00 0.00 WT4 H ATOM 49251 H2 TIP3 3242 43.050 3.091 1.893 1.00 0.00 WT4 H ATOM 49252 OH2 TIP3 3244 61.287 84.884 42.165 1.00 0.00 WT4 O ATOM 49253 H1 TIP3 3244 61.516 85.427 42.920 1.00 0.00 WT4 H ATOM 49254 H2 TIP3 3244 61.592 84.008 42.398 1.00 0.00 WT4 H ATOM 49255 OH2 TIP3 3257 52.752 84.495 64.812 1.00 0.00 WT4 O ATOM 49256 H1 TIP3 3257 52.391 84.572 65.695 1.00 0.00 WT4 H ATOM 49257 H2 TIP3 3257 53.431 83.825 64.888 1.00 0.00 WT4 H ATOM 49258 OH2 TIP3 3258 77.136 92.607 44.020 1.00 0.00 WT4 O ATOM 49259 H1 TIP3 3258 76.431 92.273 43.466 1.00 0.00 WT4 H ATOM 49260 H2 TIP3 3258 77.088 93.558 43.923 1.00 0.00 WT4 H ATOM 49261 OH2 TIP3 3262 64.707 49.847 -7.144 1.00 0.00 WT4 O ATOM 49262 H1 TIP3 3262 65.289 49.148 -6.845 1.00 0.00 WT4 H ATOM 49263 H2 TIP3 3262 65.223 50.647 -7.045 1.00 0.00 WT4 H ATOM 49264 OH2 TIP3 3274 86.843 0.450 63.460 1.00 0.00 WT4 O ATOM 49265 H1 TIP3 3274 86.634 0.832 64.313 1.00 0.00 WT4 H ATOM 49266 H2 TIP3 3274 87.379 1.114 63.025 1.00 0.00 WT4 H ATOM 49267 OH2 TIP3 3275 33.267 13.219 32.814 1.00 0.00 WT4 O ATOM 49268 H1 TIP3 3275 33.232 13.548 31.916 1.00 0.00 WT4 H ATOM 49269 H2 TIP3 3275 33.944 13.746 33.237 1.00 0.00 WT4 H ATOM 49270 OH2 TIP3 3280 42.503 29.053 39.919 1.00 0.00 WT4 O ATOM 49271 H1 TIP3 3280 42.023 29.756 40.357 1.00 0.00 WT4 H ATOM 49272 H2 TIP3 3280 42.046 28.933 39.086 1.00 0.00 WT4 H ATOM 49273 OH2 TIP3 3282 25.727 76.068 47.478 1.00 0.00 WT4 O ATOM 49274 H1 TIP3 3282 25.656 75.114 47.460 1.00 0.00 WT4 H ATOM 49275 H2 TIP3 3282 26.395 76.272 46.823 1.00 0.00 WT4 H ATOM 49276 OH2 TIP3 3296 73.461 88.702 14.854 1.00 0.00 WT4 O ATOM 49277 H1 TIP3 3296 74.399 88.675 15.043 1.00 0.00 WT4 H ATOM 49278 H2 TIP3 3296 73.282 87.875 14.408 1.00 0.00 WT4 H ATOM 49279 OH2 TIP3 3301 41.652 88.954 14.090 1.00 0.00 WT4 O ATOM 49280 H1 TIP3 3301 41.157 88.209 13.751 1.00 0.00 WT4 H ATOM 49281 H2 TIP3 3301 41.466 88.958 15.029 1.00 0.00 WT4 H ATOM 49282 OH2 TIP3 3302 67.288 26.530 -0.294 1.00 0.00 WT4 O ATOM 49283 H1 TIP3 3302 67.376 27.363 0.169 1.00 0.00 WT4 H ATOM 49284 H2 TIP3 3302 66.878 26.762 -1.128 1.00 0.00 WT4 H ATOM 49285 OH2 TIP3 3303 44.404 87.897 -15.494 1.00 0.00 WT4 O ATOM 49286 H1 TIP3 3303 44.380 88.786 -15.846 1.00 0.00 WT4 H ATOM 49287 H2 TIP3 3303 44.495 87.336 -16.264 1.00 0.00 WT4 H ATOM 49288 OH2 TIP3 3304 83.643 89.209 22.085 1.00 0.00 WT4 O ATOM 49289 H1 TIP3 3304 83.347 88.340 22.356 1.00 0.00 WT4 H ATOM 49290 H2 TIP3 3304 83.658 89.720 22.894 1.00 0.00 WT4 H ATOM 49291 OH2 TIP3 3317 78.203 53.019 39.408 1.00 0.00 WT4 O ATOM 49292 H1 TIP3 3317 77.912 53.902 39.180 1.00 0.00 WT4 H ATOM 49293 H2 TIP3 3317 78.512 52.647 38.582 1.00 0.00 WT4 H ATOM 49294 OH2 TIP3 3347 60.935 76.661 4.429 1.00 0.00 WT4 O ATOM 49295 H1 TIP3 3347 60.870 77.272 5.163 1.00 0.00 WT4 H ATOM 49296 H2 TIP3 3347 60.116 76.166 4.455 1.00 0.00 WT4 H ATOM 49297 OH2 TIP3 3348 75.893 65.431 44.827 1.00 0.00 WT4 O ATOM 49298 H1 TIP3 3348 76.701 65.162 44.390 1.00 0.00 WT4 H ATOM 49299 H2 TIP3 3348 76.126 66.236 45.290 1.00 0.00 WT4 H ATOM 49300 OH2 TIP3 3367 35.724 57.787 63.473 1.00 0.00 WT4 O ATOM 49301 H1 TIP3 3367 34.819 57.623 63.736 1.00 0.00 WT4 H ATOM 49302 H2 TIP3 3367 35.905 57.124 62.807 1.00 0.00 WT4 H ATOM 49303 OH2 TIP3 3382 76.772 89.790 -18.603 1.00 0.00 WT4 O ATOM 49304 H1 TIP3 3382 76.027 89.572 -19.163 1.00 0.00 WT4 H ATOM 49305 H2 TIP3 3382 77.124 90.599 -18.976 1.00 0.00 WT4 H ATOM 49306 OH2 TIP3 3408 27.095 1.025 20.139 1.00 0.00 WT4 O ATOM 49307 H1 TIP3 3408 26.848 0.117 20.318 1.00 0.00 WT4 H ATOM 49308 H2 TIP3 3408 27.760 0.962 19.454 1.00 0.00 WT4 H ATOM 49309 OH2 TIP3 3426 41.782 63.927 -7.473 1.00 0.00 WT4 O ATOM 49310 H1 TIP3 3426 40.840 63.784 -7.570 1.00 0.00 WT4 H ATOM 49311 H2 TIP3 3426 42.068 63.240 -6.872 1.00 0.00 WT4 H ATOM 49312 OH2 TIP3 3442 27.417 68.117 64.066 1.00 0.00 WT4 O ATOM 49313 H1 TIP3 3442 27.860 67.568 63.419 1.00 0.00 WT4 H ATOM 49314 H2 TIP3 3442 26.921 68.749 63.545 1.00 0.00 WT4 H ATOM 49315 OH2 TIP3 3447 60.467 75.287 -14.551 1.00 0.00 WT4 O ATOM 49316 H1 TIP3 3447 60.855 74.524 -14.124 1.00 0.00 WT4 H ATOM 49317 H2 TIP3 3447 60.654 76.015 -13.958 1.00 0.00 WT4 H ATOM 49318 OH2 TIP3 3484 75.408 84.104 -2.096 1.00 0.00 WT4 O ATOM 49319 H1 TIP3 3484 75.306 83.162 -2.231 1.00 0.00 WT4 H ATOM 49320 H2 TIP3 3484 76.217 84.189 -1.593 1.00 0.00 WT4 H ATOM 49321 OH2 TIP3 3511 65.647 5.600 -17.581 1.00 0.00 WT4 O ATOM 49322 H1 TIP3 3511 65.989 6.477 -17.408 1.00 0.00 WT4 H ATOM 49323 H2 TIP3 3511 64.787 5.591 -17.161 1.00 0.00 WT4 H ATOM 49324 OH2 TIP3 3513 52.552 4.929 49.880 1.00 0.00 WT4 O ATOM 49325 H1 TIP3 3513 52.982 5.769 50.041 1.00 0.00 WT4 H ATOM 49326 H2 TIP3 3513 51.973 5.094 49.136 1.00 0.00 WT4 H ATOM 49327 OH2 TIP3 3514 79.928 66.252 41.599 1.00 0.00 WT4 O ATOM 49328 H1 TIP3 3514 79.582 65.565 42.170 1.00 0.00 WT4 H ATOM 49329 H2 TIP3 3514 79.765 67.065 42.076 1.00 0.00 WT4 H ATOM 49330 OH2 TIP3 3526 25.805 54.077 -5.296 1.00 0.00 WT4 O ATOM 49331 H1 TIP3 3526 24.888 54.306 -5.451 1.00 0.00 WT4 H ATOM 49332 H2 TIP3 3526 25.767 53.315 -4.717 1.00 0.00 WT4 H ATOM 49333 OH2 TIP3 3527 42.910 68.453 -18.598 1.00 0.00 WT4 O ATOM 49334 H1 TIP3 3527 43.519 68.909 -18.018 1.00 0.00 WT4 H ATOM 49335 H2 TIP3 3527 43.462 67.860 -19.108 1.00 0.00 WT4 H ATOM 49336 OH2 TIP3 3533 43.942 3.794 33.002 1.00 0.00 WT4 O ATOM 49337 H1 TIP3 3533 44.198 3.402 32.167 1.00 0.00 WT4 H ATOM 49338 H2 TIP3 3533 43.803 3.048 33.585 1.00 0.00 WT4 H ATOM 49339 OH2 TIP3 3534 76.636 50.532 42.261 1.00 0.00 WT4 O ATOM 49340 H1 TIP3 3534 76.095 49.809 42.579 1.00 0.00 WT4 H ATOM 49341 H2 TIP3 3534 76.182 50.845 41.479 1.00 0.00 WT4 H ATOM 49342 OH2 TIP3 3545 89.952 59.029 -17.922 1.00 0.00 WT4 O ATOM 49343 H1 TIP3 3545 90.081 59.942 -17.665 1.00 0.00 WT4 H ATOM 49344 H2 TIP3 3545 89.028 58.978 -18.169 1.00 0.00 WT4 H ATOM 49345 OH2 TIP3 3548 57.091 70.672 48.280 1.00 0.00 WT4 O ATOM 49346 H1 TIP3 3548 58.029 70.535 48.149 1.00 0.00 WT4 H ATOM 49347 H2 TIP3 3548 56.956 71.601 48.096 1.00 0.00 WT4 H ATOM 49348 OH2 TIP3 3554 60.901 49.870 32.902 1.00 0.00 WT4 O ATOM 49349 H1 TIP3 3554 60.644 49.772 31.985 1.00 0.00 WT4 H ATOM 49350 H2 TIP3 3554 60.785 50.802 33.086 1.00 0.00 WT4 H ATOM 49351 OH2 TIP3 3555 84.499 8.064 -9.896 1.00 0.00 WT4 O ATOM 49352 H1 TIP3 3555 83.812 7.734 -9.317 1.00 0.00 WT4 H ATOM 49353 H2 TIP3 3555 84.070 8.744 -10.415 1.00 0.00 WT4 H ATOM 49354 OH2 TIP3 3569 61.137 83.276 11.223 1.00 0.00 WT4 O ATOM 49355 H1 TIP3 3569 60.266 82.965 11.470 1.00 0.00 WT4 H ATOM 49356 H2 TIP3 3569 61.731 82.587 11.523 1.00 0.00 WT4 H ATOM 49357 OH2 TIP3 3573 44.494 62.012 52.653 1.00 0.00 WT4 O ATOM 49358 H1 TIP3 3573 44.702 61.823 51.738 1.00 0.00 WT4 H ATOM 49359 H2 TIP3 3573 45.235 61.658 53.146 1.00 0.00 WT4 H ATOM 49360 OH2 TIP3 3575 80.683 59.888 -19.107 1.00 0.00 WT4 O ATOM 49361 H1 TIP3 3575 81.597 59.795 -18.837 1.00 0.00 WT4 H ATOM 49362 H2 TIP3 3575 80.689 60.618 -19.726 1.00 0.00 WT4 H ATOM 49363 OH2 TIP3 3593 32.472 82.704 -16.453 1.00 0.00 WT4 O ATOM 49364 H1 TIP3 3593 32.185 83.410 -17.033 1.00 0.00 WT4 H ATOM 49365 H2 TIP3 3593 33.142 83.106 -15.900 1.00 0.00 WT4 H ATOM 49366 OH2 TIP3 3595 37.207 62.797 7.379 1.00 0.00 WT4 O ATOM 49367 H1 TIP3 3595 38.129 63.044 7.314 1.00 0.00 WT4 H ATOM 49368 H2 TIP3 3595 37.212 61.977 7.874 1.00 0.00 WT4 H ATOM 49369 OH2 TIP3 3596 40.652 26.661 59.102 1.00 0.00 WT4 O ATOM 49370 H1 TIP3 3596 40.158 27.451 58.886 1.00 0.00 WT4 H ATOM 49371 H2 TIP3 3596 40.358 26.426 59.982 1.00 0.00 WT4 H ATOM 49372 OH2 TIP3 3597 47.149 3.621 -12.101 1.00 0.00 WT4 O ATOM 49373 H1 TIP3 3597 47.510 3.700 -11.218 1.00 0.00 WT4 H ATOM 49374 H2 TIP3 3597 47.896 3.373 -12.645 1.00 0.00 WT4 H ATOM 49375 OH2 TIP3 3599 90.131 74.120 -14.397 1.00 0.00 WT4 O ATOM 49376 H1 TIP3 3599 90.511 73.556 -13.724 1.00 0.00 WT4 H ATOM 49377 H2 TIP3 3599 89.772 73.513 -15.044 1.00 0.00 WT4 H ATOM 49378 OH2 TIP3 3614 71.491 3.566 -19.095 1.00 0.00 WT4 O ATOM 49379 H1 TIP3 3614 70.856 3.026 -18.624 1.00 0.00 WT4 H ATOM 49380 H2 TIP3 3614 70.961 4.225 -19.543 1.00 0.00 WT4 H ATOM 49381 OH2 TIP3 3615 29.201 9.857 60.013 1.00 0.00 WT4 O ATOM 49382 H1 TIP3 3615 28.462 10.267 60.463 1.00 0.00 WT4 H ATOM 49383 H2 TIP3 3615 29.823 10.571 59.875 1.00 0.00 WT4 H ATOM 49384 OH2 TIP3 3623 45.027 1.190 26.940 1.00 0.00 WT4 O ATOM 49385 H1 TIP3 3623 44.243 1.728 27.051 1.00 0.00 WT4 H ATOM 49386 H2 TIP3 3623 45.241 0.893 27.825 1.00 0.00 WT4 H ATOM 49387 OH2 TIP3 3633 23.810 31.720 32.688 1.00 0.00 WT4 O ATOM 49388 H1 TIP3 3633 23.665 32.344 31.977 1.00 0.00 WT4 H ATOM 49389 H2 TIP3 3633 24.258 30.983 32.273 1.00 0.00 WT4 H ATOM 49390 OH2 TIP3 3634 72.098 8.160 45.469 1.00 0.00 WT4 O ATOM 49391 H1 TIP3 3634 71.795 7.343 45.865 1.00 0.00 WT4 H ATOM 49392 H2 TIP3 3634 71.498 8.826 45.805 1.00 0.00 WT4 H ATOM 49393 OH2 TIP3 3636 59.117 8.353 -9.161 1.00 0.00 WT4 O ATOM 49394 H1 TIP3 3636 58.795 7.452 -9.175 1.00 0.00 WT4 H ATOM 49395 H2 TIP3 3636 58.632 8.771 -8.449 1.00 0.00 WT4 H ATOM 49396 OH2 TIP3 3638 61.104 29.789 10.066 1.00 0.00 WT4 O ATOM 49397 H1 TIP3 3638 61.106 30.223 10.919 1.00 0.00 WT4 H ATOM 49398 H2 TIP3 3638 62.024 29.774 9.802 1.00 0.00 WT4 H ATOM 49399 OH2 TIP3 3639 46.585 80.867 61.038 1.00 0.00 WT4 O ATOM 49400 H1 TIP3 3639 46.126 80.052 60.838 1.00 0.00 WT4 H ATOM 49401 H2 TIP3 3639 47.506 80.613 61.105 1.00 0.00 WT4 H ATOM 49402 OH2 TIP3 3641 77.351 92.279 52.381 1.00 0.00 WT4 O ATOM 49403 H1 TIP3 3641 76.713 92.465 53.070 1.00 0.00 WT4 H ATOM 49404 H2 TIP3 3641 77.626 91.377 52.546 1.00 0.00 WT4 H ATOM 49405 OH2 TIP3 3650 70.715 63.106 62.756 1.00 0.00 WT4 O ATOM 49406 H1 TIP3 3650 71.606 62.854 63.000 1.00 0.00 WT4 H ATOM 49407 H2 TIP3 3650 70.287 62.281 62.527 1.00 0.00 WT4 H ATOM 49408 OH2 TIP3 3651 59.055 72.433 62.256 1.00 0.00 WT4 O ATOM 49409 H1 TIP3 3651 59.773 71.806 62.168 1.00 0.00 WT4 H ATOM 49410 H2 TIP3 3651 58.340 71.928 62.642 1.00 0.00 WT4 H ATOM 49411 OH2 TIP3 3653 28.643 33.887 40.070 1.00 0.00 WT4 O ATOM 49412 H1 TIP3 3653 27.996 33.240 39.788 1.00 0.00 WT4 H ATOM 49413 H2 TIP3 3653 28.619 34.562 39.392 1.00 0.00 WT4 H ATOM 49414 OH2 TIP3 3660 79.606 56.848 27.656 1.00 0.00 WT4 O ATOM 49415 H1 TIP3 3660 79.874 57.706 27.986 1.00 0.00 WT4 H ATOM 49416 H2 TIP3 3660 79.232 57.030 26.794 1.00 0.00 WT4 H ATOM 49417 OH2 TIP3 3661 74.263 32.726 0.733 1.00 0.00 WT4 O ATOM 49418 H1 TIP3 3661 73.443 32.339 1.040 1.00 0.00 WT4 H ATOM 49419 H2 TIP3 3661 74.838 32.709 1.498 1.00 0.00 WT4 H ATOM 49420 OH2 TIP3 3662 56.382 66.719 57.318 1.00 0.00 WT4 O ATOM 49421 H1 TIP3 3662 56.162 65.852 57.660 1.00 0.00 WT4 H ATOM 49422 H2 TIP3 3662 56.195 66.662 56.381 1.00 0.00 WT4 H ATOM 49423 OH2 TIP3 3674 58.474 81.499 60.544 1.00 0.00 WT4 O ATOM 49424 H1 TIP3 3674 58.408 80.626 60.929 1.00 0.00 WT4 H ATOM 49425 H2 TIP3 3674 57.840 81.493 59.827 1.00 0.00 WT4 H ATOM 49426 OH2 TIP3 3675 25.682 4.606 48.634 1.00 0.00 WT4 O ATOM 49427 H1 TIP3 3675 26.586 4.572 48.946 1.00 0.00 WT4 H ATOM 49428 H2 TIP3 3675 25.342 3.724 48.786 1.00 0.00 WT4 H ATOM 49429 OH2 TIP3 3693 57.783 3.502 49.238 1.00 0.00 WT4 O ATOM 49430 H1 TIP3 3693 57.373 4.367 49.246 1.00 0.00 WT4 H ATOM 49431 H2 TIP3 3693 58.489 3.577 48.596 1.00 0.00 WT4 H ATOM 49432 OH2 TIP3 3697 79.655 69.568 17.548 1.00 0.00 WT4 O ATOM 49433 H1 TIP3 3697 78.771 69.540 17.914 1.00 0.00 WT4 H ATOM 49434 H2 TIP3 3697 79.543 69.317 16.631 1.00 0.00 WT4 H ATOM 49435 OH2 TIP3 3700 90.322 64.479 33.735 1.00 0.00 WT4 O ATOM 49436 H1 TIP3 3700 91.278 64.490 33.690 1.00 0.00 WT4 H ATOM 49437 H2 TIP3 3700 90.044 64.189 32.866 1.00 0.00 WT4 H ATOM 49438 OH2 TIP3 3701 65.187 80.649 31.771 1.00 0.00 WT4 O ATOM 49439 H1 TIP3 3701 65.518 80.935 30.919 1.00 0.00 WT4 H ATOM 49440 H2 TIP3 3701 65.002 79.717 31.656 1.00 0.00 WT4 H ATOM 49441 OH2 TIP3 3703 52.394 72.713 -4.071 1.00 0.00 WT4 O ATOM 49442 H1 TIP3 3703 52.268 72.440 -4.980 1.00 0.00 WT4 H ATOM 49443 H2 TIP3 3703 51.507 72.819 -3.727 1.00 0.00 WT4 H ATOM 49444 OH2 TIP3 3708 40.348 91.478 -10.918 1.00 0.00 WT4 O ATOM 49445 H1 TIP3 3708 40.682 92.123 -11.540 1.00 0.00 WT4 H ATOM 49446 H2 TIP3 3708 41.044 90.823 -10.855 1.00 0.00 WT4 H ATOM 49447 OH2 TIP3 3718 29.344 96.720 23.001 1.00 0.00 WT4 O ATOM 49448 H1 TIP3 3718 29.620 96.575 22.096 1.00 0.00 WT4 H ATOM 49449 H2 TIP3 3718 29.480 95.876 23.432 1.00 0.00 WT4 H ATOM 49450 OH2 TIP3 3720 47.220 24.503 -18.889 1.00 0.00 WT4 O ATOM 49451 H1 TIP3 3720 47.681 24.928 -18.165 1.00 0.00 WT4 H ATOM 49452 H2 TIP3 3720 46.313 24.796 -18.802 1.00 0.00 WT4 H ATOM 49453 OH2 TIP3 3721 54.373 93.576 2.654 1.00 0.00 WT4 O ATOM 49454 H1 TIP3 3721 53.787 92.824 2.737 1.00 0.00 WT4 H ATOM 49455 H2 TIP3 3721 55.118 93.246 2.150 1.00 0.00 WT4 H ATOM 49456 OH2 TIP3 3722 81.318 85.069 13.425 1.00 0.00 WT4 O ATOM 49457 H1 TIP3 3722 81.058 84.858 14.322 1.00 0.00 WT4 H ATOM 49458 H2 TIP3 3722 81.388 84.219 12.990 1.00 0.00 WT4 H ATOM 49459 OH2 TIP3 3723 59.232 11.136 60.190 1.00 0.00 WT4 O ATOM 49460 H1 TIP3 3723 59.817 11.454 59.503 1.00 0.00 WT4 H ATOM 49461 H2 TIP3 3723 58.636 10.537 59.740 1.00 0.00 WT4 H ATOM 49462 OH2 TIP3 3727 82.388 74.322 50.409 1.00 0.00 WT4 O ATOM 49463 H1 TIP3 3727 81.982 73.470 50.247 1.00 0.00 WT4 H ATOM 49464 H2 TIP3 3727 81.849 74.718 51.094 1.00 0.00 WT4 H ATOM 49465 OH2 TIP3 3740 73.658 87.472 1.535 1.00 0.00 WT4 O ATOM 49466 H1 TIP3 3740 73.856 88.395 1.378 1.00 0.00 WT4 H ATOM 49467 H2 TIP3 3740 74.069 87.010 0.805 1.00 0.00 WT4 H ATOM 49468 OH2 TIP3 3757 46.725 1.087 45.713 1.00 0.00 WT4 O ATOM 49469 H1 TIP3 3757 45.821 1.129 45.399 1.00 0.00 WT4 H ATOM 49470 H2 TIP3 3757 46.704 1.525 46.564 1.00 0.00 WT4 H ATOM 49471 OH2 TIP3 3821 49.011 71.817 -10.885 1.00 0.00 WT4 O ATOM 49472 H1 TIP3 3821 48.736 71.684 -11.792 1.00 0.00 WT4 H ATOM 49473 H2 TIP3 3821 49.191 70.936 -10.557 1.00 0.00 WT4 H ATOM 49474 OH2 TIP3 3829 34.174 41.618 25.042 1.00 0.00 WT4 O ATOM 49475 H1 TIP3 3829 35.078 41.594 24.730 1.00 0.00 WT4 H ATOM 49476 H2 TIP3 3829 33.656 41.821 24.264 1.00 0.00 WT4 H ATOM 49477 OH2 TIP3 3925 44.560 59.550 3.594 1.00 0.00 WT4 O ATOM 49478 H1 TIP3 3925 45.272 58.918 3.693 1.00 0.00 WT4 H ATOM 49479 H2 TIP3 3925 44.628 60.112 4.366 1.00 0.00 WT4 H ATOM 49480 OH2 TIP3 3931 49.220 17.619 35.415 1.00 0.00 WT4 O ATOM 49481 H1 TIP3 3931 48.772 16.867 35.803 1.00 0.00 WT4 H ATOM 49482 H2 TIP3 3931 49.555 17.294 34.580 1.00 0.00 WT4 H ATOM 49483 OH2 TIP3 3933 90.007 18.001 57.814 1.00 0.00 WT4 O ATOM 49484 H1 TIP3 3933 89.218 17.908 58.349 1.00 0.00 WT4 H ATOM 49485 H2 TIP3 3933 90.620 18.481 58.371 1.00 0.00 WT4 H ATOM 49486 OH2 TIP3 3951 79.325 55.766 -13.613 1.00 0.00 WT4 O ATOM 49487 H1 TIP3 3951 78.380 55.613 -13.594 1.00 0.00 WT4 H ATOM 49488 H2 TIP3 3951 79.428 56.672 -13.322 1.00 0.00 WT4 H ATOM 49489 OH2 TIP3 3973 62.221 71.643 -9.343 1.00 0.00 WT4 O ATOM 49490 H1 TIP3 3973 62.345 71.685 -8.395 1.00 0.00 WT4 H ATOM 49491 H2 TIP3 3973 62.612 70.807 -9.599 1.00 0.00 WT4 H ATOM 49492 OH2 TIP3 3974 61.253 8.580 32.223 1.00 0.00 WT4 O ATOM 49493 H1 TIP3 3974 61.870 8.221 32.861 1.00 0.00 WT4 H ATOM 49494 H2 TIP3 3974 60.795 9.274 32.697 1.00 0.00 WT4 H ATOM 49495 OH2 TIP3 3975 28.339 81.407 35.435 1.00 0.00 WT4 O ATOM 49496 H1 TIP3 3975 28.250 80.570 34.979 1.00 0.00 WT4 H ATOM 49497 H2 TIP3 3975 28.860 81.202 36.212 1.00 0.00 WT4 H ATOM 49498 OH2 TIP3 3976 60.893 77.003 43.002 1.00 0.00 WT4 O ATOM 49499 H1 TIP3 3976 60.137 77.442 43.392 1.00 0.00 WT4 H ATOM 49500 H2 TIP3 3976 61.645 77.525 43.281 1.00 0.00 WT4 H ATOM 49501 OH2 TIP3 3977 29.846 63.910 44.233 1.00 0.00 WT4 O ATOM 49502 H1 TIP3 3977 29.209 63.254 44.516 1.00 0.00 WT4 H ATOM 49503 H2 TIP3 3977 30.620 63.402 43.988 1.00 0.00 WT4 H ATOM 49504 OH2 TIP3 3991 59.565 77.248 54.514 1.00 0.00 WT4 O ATOM 49505 H1 TIP3 3991 59.902 78.035 54.085 1.00 0.00 WT4 H ATOM 49506 H2 TIP3 3991 58.789 77.547 54.988 1.00 0.00 WT4 H ATOM 49507 OH2 TIP3 3992 86.050 84.764 -8.707 1.00 0.00 WT4 O ATOM 49508 H1 TIP3 3992 86.311 84.446 -7.843 1.00 0.00 WT4 H ATOM 49509 H2 TIP3 3992 86.849 84.716 -9.232 1.00 0.00 WT4 H ATOM 49510 OH2 TIP3 3993 54.846 81.428 14.929 1.00 0.00 WT4 O ATOM 49511 H1 TIP3 3993 54.178 81.243 14.269 1.00 0.00 WT4 H ATOM 49512 H2 TIP3 3993 55.469 80.706 14.849 1.00 0.00 WT4 H ATOM 49513 OH2 TIP3 3995 71.156 61.406 -9.532 1.00 0.00 WT4 O ATOM 49514 H1 TIP3 3995 70.345 61.755 -9.162 1.00 0.00 WT4 H ATOM 49515 H2 TIP3 3995 70.897 60.578 -9.937 1.00 0.00 WT4 H ATOM 49516 OH2 TIP3 4009 34.646 88.172 5.938 1.00 0.00 WT4 O ATOM 49517 H1 TIP3 4009 34.028 87.617 6.414 1.00 0.00 WT4 H ATOM 49518 H2 TIP3 4009 34.996 88.766 6.602 1.00 0.00 WT4 H ATOM 49519 OH2 TIP3 4010 54.324 2.284 27.971 1.00 0.00 WT4 O ATOM 49520 H1 TIP3 4010 54.365 1.333 27.867 1.00 0.00 WT4 H ATOM 49521 H2 TIP3 4010 55.115 2.506 28.462 1.00 0.00 WT4 H ATOM 49522 OH2 TIP3 4012 89.662 63.846 57.408 1.00 0.00 WT4 O ATOM 49523 H1 TIP3 4012 90.258 64.421 57.888 1.00 0.00 WT4 H ATOM 49524 H2 TIP3 4012 89.919 63.946 56.491 1.00 0.00 WT4 H ATOM 49525 OH2 TIP3 4014 48.127 68.512 -4.752 1.00 0.00 WT4 O ATOM 49526 H1 TIP3 4014 47.632 67.700 -4.641 1.00 0.00 WT4 H ATOM 49527 H2 TIP3 4014 48.298 68.812 -3.859 1.00 0.00 WT4 H ATOM 49528 OH2 TIP3 4015 60.361 78.952 48.287 1.00 0.00 WT4 O ATOM 49529 H1 TIP3 4015 60.032 79.847 48.370 1.00 0.00 WT4 H ATOM 49530 H2 TIP3 4015 60.178 78.549 49.136 1.00 0.00 WT4 H ATOM 49531 OH2 TIP3 4016 58.576 20.381 28.525 1.00 0.00 WT4 O ATOM 49532 H1 TIP3 4016 57.789 20.919 28.435 1.00 0.00 WT4 H ATOM 49533 H2 TIP3 4016 59.181 20.924 29.031 1.00 0.00 WT4 H ATOM 49534 OH2 TIP3 4017 30.760 73.636 36.681 1.00 0.00 WT4 O ATOM 49535 H1 TIP3 4017 31.598 73.585 36.222 1.00 0.00 WT4 H ATOM 49536 H2 TIP3 4017 30.349 72.785 36.528 1.00 0.00 WT4 H ATOM 49537 OH2 TIP3 4021 76.737 62.595 -10.091 1.00 0.00 WT4 O ATOM 49538 H1 TIP3 4021 77.690 62.504 -10.087 1.00 0.00 WT4 H ATOM 49539 H2 TIP3 4021 76.419 61.802 -9.659 1.00 0.00 WT4 H ATOM 49540 OH2 TIP3 4022 78.926 12.148 51.534 1.00 0.00 WT4 O ATOM 49541 H1 TIP3 4022 78.002 12.097 51.289 1.00 0.00 WT4 H ATOM 49542 H2 TIP3 4022 79.399 11.896 50.740 1.00 0.00 WT4 H ATOM 49543 OH2 TIP3 4030 43.758 11.427 12.676 1.00 0.00 WT4 O ATOM 49544 H1 TIP3 4030 43.018 10.917 12.347 1.00 0.00 WT4 H ATOM 49545 H2 TIP3 4030 43.914 11.083 13.555 1.00 0.00 WT4 H ATOM 49546 OH2 TIP3 4035 75.519 71.429 -1.430 1.00 0.00 WT4 O ATOM 49547 H1 TIP3 4035 75.588 70.475 -1.468 1.00 0.00 WT4 H ATOM 49548 H2 TIP3 4035 76.098 71.683 -0.711 1.00 0.00 WT4 H ATOM 49549 OH2 TIP3 4036 40.366 4.910 52.353 1.00 0.00 WT4 O ATOM 49550 H1 TIP3 4036 41.145 5.245 52.798 1.00 0.00 WT4 H ATOM 49551 H2 TIP3 4036 40.049 4.207 52.920 1.00 0.00 WT4 H ATOM 49552 OH2 TIP3 4040 86.107 37.695 56.569 1.00 0.00 WT4 O ATOM 49553 H1 TIP3 4040 85.786 38.283 55.884 1.00 0.00 WT4 H ATOM 49554 H2 TIP3 4040 86.116 36.831 56.158 1.00 0.00 WT4 H ATOM 49555 OH2 TIP3 4053 20.801 68.358 -18.922 1.00 0.00 WT4 O ATOM 49556 H1 TIP3 4053 20.623 68.076 -18.024 1.00 0.00 WT4 H ATOM 49557 H2 TIP3 4053 20.671 67.570 -19.450 1.00 0.00 WT4 H ATOM 49558 OH2 TIP3 4054 24.569 84.749 -15.975 1.00 0.00 WT4 O ATOM 49559 H1 TIP3 4054 25.456 84.599 -16.301 1.00 0.00 WT4 H ATOM 49560 H2 TIP3 4054 24.281 83.893 -15.658 1.00 0.00 WT4 H ATOM 49561 OH2 TIP3 4055 88.645 92.926 59.896 1.00 0.00 WT4 O ATOM 49562 H1 TIP3 4055 89.084 92.352 60.524 1.00 0.00 WT4 H ATOM 49563 H2 TIP3 4055 87.860 93.227 60.355 1.00 0.00 WT4 H ATOM 49564 OH2 TIP3 4056 69.811 49.274 -2.705 1.00 0.00 WT4 O ATOM 49565 H1 TIP3 4056 69.750 49.008 -1.788 1.00 0.00 WT4 H ATOM 49566 H2 TIP3 4056 68.905 49.287 -3.013 1.00 0.00 WT4 H ATOM 49567 OH2 TIP3 4057 67.041 77.965 6.058 1.00 0.00 WT4 O ATOM 49568 H1 TIP3 4057 66.138 77.997 5.743 1.00 0.00 WT4 H ATOM 49569 H2 TIP3 4057 66.961 77.831 7.002 1.00 0.00 WT4 H ATOM 49570 OH2 TIP3 4058 65.722 9.770 48.950 1.00 0.00 WT4 O ATOM 49571 H1 TIP3 4058 64.857 10.166 48.847 1.00 0.00 WT4 H ATOM 49572 H2 TIP3 4058 65.560 8.827 48.906 1.00 0.00 WT4 H ATOM 49573 OH2 TIP3 4059 57.094 8.101 34.472 1.00 0.00 WT4 O ATOM 49574 H1 TIP3 4059 57.587 8.286 33.672 1.00 0.00 WT4 H ATOM 49575 H2 TIP3 4059 57.733 7.701 35.061 1.00 0.00 WT4 H ATOM 49576 OH2 TIP3 4060 59.376 83.155 64.962 1.00 0.00 WT4 O ATOM 49577 H1 TIP3 4060 59.354 82.771 65.839 1.00 0.00 WT4 H ATOM 49578 H2 TIP3 4060 59.310 82.406 64.370 1.00 0.00 WT4 H ATOM 49579 OH2 TIP3 4064 58.453 61.694 35.893 1.00 0.00 WT4 O ATOM 49580 H1 TIP3 4064 57.588 61.989 36.178 1.00 0.00 WT4 H ATOM 49581 H2 TIP3 4064 58.388 61.647 34.940 1.00 0.00 WT4 H ATOM 49582 OH2 TIP3 4072 30.324 74.021 20.179 1.00 0.00 WT4 O ATOM 49583 H1 TIP3 4072 29.841 73.235 19.924 1.00 0.00 WT4 H ATOM 49584 H2 TIP3 4072 31.001 73.703 20.777 1.00 0.00 WT4 H ATOM 49585 OH2 TIP3 4074 70.174 55.848 65.575 1.00 0.00 WT4 O ATOM 49586 H1 TIP3 4074 69.642 56.036 64.802 1.00 0.00 WT4 H ATOM 49587 H2 TIP3 4074 69.606 56.062 66.315 1.00 0.00 WT4 H ATOM 49588 OH2 TIP3 4076 27.949 90.320 49.037 1.00 0.00 WT4 O ATOM 49589 H1 TIP3 4076 28.898 90.230 49.125 1.00 0.00 WT4 H ATOM 49590 H2 TIP3 4076 27.821 90.644 48.146 1.00 0.00 WT4 H ATOM 49591 OH2 TIP3 4077 74.230 37.932 41.619 1.00 0.00 WT4 O ATOM 49592 H1 TIP3 4077 75.144 37.741 41.408 1.00 0.00 WT4 H ATOM 49593 H2 TIP3 4077 73.949 38.540 40.935 1.00 0.00 WT4 H ATOM 49594 OH2 TIP3 4078 61.064 68.413 -13.447 1.00 0.00 WT4 O ATOM 49595 H1 TIP3 4078 62.007 68.534 -13.559 1.00 0.00 WT4 H ATOM 49596 H2 TIP3 4078 60.699 68.549 -14.322 1.00 0.00 WT4 H ATOM 49597 OH2 TIP3 4083 62.843 29.029 43.356 1.00 0.00 WT4 O ATOM 49598 H1 TIP3 4083 62.040 29.114 42.843 1.00 0.00 WT4 H ATOM 49599 H2 TIP3 4083 62.577 29.229 44.254 1.00 0.00 WT4 H ATOM 49600 OH2 TIP3 4093 26.050 38.502 54.699 1.00 0.00 WT4 O ATOM 49601 H1 TIP3 4093 26.021 39.259 55.284 1.00 0.00 WT4 H ATOM 49602 H2 TIP3 4093 25.168 38.133 54.739 1.00 0.00 WT4 H ATOM 49603 OH2 TIP3 4097 60.995 17.789 30.730 1.00 0.00 WT4 O ATOM 49604 H1 TIP3 4097 61.374 17.854 31.606 1.00 0.00 WT4 H ATOM 49605 H2 TIP3 4097 61.499 18.410 30.204 1.00 0.00 WT4 H ATOM 49606 OH2 TIP3 4098 65.936 70.610 39.641 1.00 0.00 WT4 O ATOM 49607 H1 TIP3 4098 65.994 70.955 38.751 1.00 0.00 WT4 H ATOM 49608 H2 TIP3 4098 66.746 70.898 40.063 1.00 0.00 WT4 H ATOM 49609 OH2 TIP3 4099 78.090 82.678 60.589 1.00 0.00 WT4 O ATOM 49610 H1 TIP3 4099 78.892 82.166 60.487 1.00 0.00 WT4 H ATOM 49611 H2 TIP3 4099 77.554 82.439 59.833 1.00 0.00 WT4 H ATOM 49612 OH2 TIP3 4101 21.478 38.771 39.673 1.00 0.00 WT4 O ATOM 49613 H1 TIP3 4101 20.927 39.536 39.839 1.00 0.00 WT4 H ATOM 49614 H2 TIP3 4101 21.960 38.992 38.876 1.00 0.00 WT4 H ATOM 49615 OH2 TIP3 4104 25.236 68.062 48.040 1.00 0.00 WT4 O ATOM 49616 H1 TIP3 4104 24.857 68.645 47.383 1.00 0.00 WT4 H ATOM 49617 H2 TIP3 4104 25.802 67.473 47.541 1.00 0.00 WT4 H ATOM 49618 OH2 TIP3 4116 32.499 87.944 17.313 1.00 0.00 WT4 O ATOM 49619 H1 TIP3 4116 32.066 87.135 17.586 1.00 0.00 WT4 H ATOM 49620 H2 TIP3 4116 33.274 88.002 17.871 1.00 0.00 WT4 H ATOM 49621 OH2 TIP3 4120 66.500 29.894 5.384 1.00 0.00 WT4 O ATOM 49622 H1 TIP3 4120 66.586 30.828 5.196 1.00 0.00 WT4 H ATOM 49623 H2 TIP3 4120 65.572 29.774 5.587 1.00 0.00 WT4 H ATOM 49624 OH2 TIP3 4121 44.594 91.542 33.390 1.00 0.00 WT4 O ATOM 49625 H1 TIP3 4121 44.090 90.788 33.694 1.00 0.00 WT4 H ATOM 49626 H2 TIP3 4121 43.977 92.044 32.857 1.00 0.00 WT4 H ATOM 49627 OH2 TIP3 4123 74.108 87.913 42.547 1.00 0.00 WT4 O ATOM 49628 H1 TIP3 4123 73.394 88.418 42.936 1.00 0.00 WT4 H ATOM 49629 H2 TIP3 4123 73.958 87.016 42.848 1.00 0.00 WT4 H ATOM 49630 OH2 TIP3 4138 78.351 91.803 59.275 1.00 0.00 WT4 O ATOM 49631 H1 TIP3 4138 79.298 91.910 59.367 1.00 0.00 WT4 H ATOM 49632 H2 TIP3 4138 78.060 92.609 58.848 1.00 0.00 WT4 H ATOM 49633 OH2 TIP3 4139 82.337 81.548 25.589 1.00 0.00 WT4 O ATOM 49634 H1 TIP3 4139 81.481 81.557 26.017 1.00 0.00 WT4 H ATOM 49635 H2 TIP3 4139 82.947 81.288 26.279 1.00 0.00 WT4 H ATOM 49636 OH2 TIP3 4141 45.710 92.465 51.373 1.00 0.00 WT4 O ATOM 49637 H1 TIP3 4141 45.796 91.679 50.834 1.00 0.00 WT4 H ATOM 49638 H2 TIP3 4141 45.001 92.961 50.963 1.00 0.00 WT4 H ATOM 49639 OH2 TIP3 4142 40.878 30.709 46.691 1.00 0.00 WT4 O ATOM 49640 H1 TIP3 4142 40.828 31.662 46.774 1.00 0.00 WT4 H ATOM 49641 H2 TIP3 4142 41.816 30.520 46.663 1.00 0.00 WT4 H ATOM 49642 OH2 TIP3 4143 29.323 72.518 47.093 1.00 0.00 WT4 O ATOM 49643 H1 TIP3 4143 30.272 72.535 46.966 1.00 0.00 WT4 H ATOM 49644 H2 TIP3 4143 29.141 73.278 47.646 1.00 0.00 WT4 H ATOM 49645 OH2 TIP3 4157 76.918 0.411 -11.360 1.00 0.00 WT4 O ATOM 49646 H1 TIP3 4157 76.727 1.305 -11.645 1.00 0.00 WT4 H ATOM 49647 H2 TIP3 4157 76.058 0.015 -11.220 1.00 0.00 WT4 H ATOM 49648 OH2 TIP3 4161 74.178 20.157 47.954 1.00 0.00 WT4 O ATOM 49649 H1 TIP3 4161 74.951 19.659 47.689 1.00 0.00 WT4 H ATOM 49650 H2 TIP3 4161 73.448 19.719 47.517 1.00 0.00 WT4 H ATOM 49651 OH2 TIP3 4165 23.906 66.776 -19.560 1.00 0.00 WT4 O ATOM 49652 H1 TIP3 4165 24.252 67.605 -19.229 1.00 0.00 WT4 H ATOM 49653 H2 TIP3 4165 24.390 66.620 -20.371 1.00 0.00 WT4 H ATOM 49654 OH2 TIP3 4179 75.121 76.189 -10.504 1.00 0.00 WT4 O ATOM 49655 H1 TIP3 4179 74.268 75.759 -10.561 1.00 0.00 WT4 H ATOM 49656 H2 TIP3 4179 75.094 76.867 -11.179 1.00 0.00 WT4 H ATOM 49657 OH2 TIP3 4184 84.694 88.522 65.153 1.00 0.00 WT4 O ATOM 49658 H1 TIP3 4184 85.257 87.793 65.413 1.00 0.00 WT4 H ATOM 49659 H2 TIP3 4184 83.972 88.109 64.679 1.00 0.00 WT4 H ATOM 49660 OH2 TIP3 4186 61.644 35.778 48.915 1.00 0.00 WT4 O ATOM 49661 H1 TIP3 4186 61.925 35.329 48.119 1.00 0.00 WT4 H ATOM 49662 H2 TIP3 4186 61.377 35.075 49.507 1.00 0.00 WT4 H ATOM 49663 OH2 TIP3 4201 87.942 26.263 -9.576 1.00 0.00 WT4 O ATOM 49664 H1 TIP3 4201 88.694 26.195 -8.986 1.00 0.00 WT4 H ATOM 49665 H2 TIP3 4201 87.684 27.183 -9.531 1.00 0.00 WT4 H ATOM 49666 OH2 TIP3 4202 54.949 88.490 43.614 1.00 0.00 WT4 O ATOM 49667 H1 TIP3 4202 54.961 88.373 44.564 1.00 0.00 WT4 H ATOM 49668 H2 TIP3 4202 54.088 88.172 43.343 1.00 0.00 WT4 H ATOM 49669 OH2 TIP3 4243 38.550 7.889 49.655 1.00 0.00 WT4 O ATOM 49670 H1 TIP3 4243 39.502 7.819 49.733 1.00 0.00 WT4 H ATOM 49671 H2 TIP3 4243 38.274 7.040 49.310 1.00 0.00 WT4 H ATOM 49672 OH2 TIP3 4356 48.008 86.082 -8.636 1.00 0.00 WT4 O ATOM 49673 H1 TIP3 4356 47.980 86.149 -9.590 1.00 0.00 WT4 H ATOM 49674 H2 TIP3 4356 47.177 86.457 -8.344 1.00 0.00 WT4 H ATOM 49675 OH2 TIP3 4374 26.194 67.026 39.581 1.00 0.00 WT4 O ATOM 49676 H1 TIP3 4374 26.559 66.427 40.233 1.00 0.00 WT4 H ATOM 49677 H2 TIP3 4374 26.677 66.829 38.778 1.00 0.00 WT4 H ATOM 49678 OH2 TIP3 4394 60.707 33.797 64.262 1.00 0.00 WT4 O ATOM 49679 H1 TIP3 4394 59.939 33.706 63.698 1.00 0.00 WT4 H ATOM 49680 H2 TIP3 4394 60.752 34.733 64.457 1.00 0.00 WT4 H ATOM 49681 OH2 TIP3 4414 32.262 90.302 52.901 1.00 0.00 WT4 O ATOM 49682 H1 TIP3 4414 33.090 90.259 53.378 1.00 0.00 WT4 H ATOM 49683 H2 TIP3 4414 32.032 91.231 52.901 1.00 0.00 WT4 H ATOM 49684 OH2 TIP3 4417 89.630 91.079 44.159 1.00 0.00 WT4 O ATOM 49685 H1 TIP3 4417 89.741 91.404 43.266 1.00 0.00 WT4 H ATOM 49686 H2 TIP3 4417 90.090 90.239 44.168 1.00 0.00 WT4 H ATOM 49687 OH2 TIP3 4419 71.211 43.994 7.568 1.00 0.00 WT4 O ATOM 49688 H1 TIP3 4419 70.352 43.648 7.327 1.00 0.00 WT4 H ATOM 49689 H2 TIP3 4419 71.083 44.371 8.438 1.00 0.00 WT4 H ATOM 49690 OH2 TIP3 4432 88.402 95.434 -9.830 1.00 0.00 WT4 O ATOM 49691 H1 TIP3 4432 89.113 95.347 -10.466 1.00 0.00 WT4 H ATOM 49692 H2 TIP3 4432 88.834 95.379 -8.978 1.00 0.00 WT4 H ATOM 49693 OH2 TIP3 4434 45.882 80.183 48.305 1.00 0.00 WT4 O ATOM 49694 H1 TIP3 4434 45.253 79.487 48.113 1.00 0.00 WT4 H ATOM 49695 H2 TIP3 4434 45.455 80.983 47.998 1.00 0.00 WT4 H ATOM 49696 OH2 TIP3 4437 85.148 76.863 23.566 1.00 0.00 WT4 O ATOM 49697 H1 TIP3 4437 84.562 76.219 23.169 1.00 0.00 WT4 H ATOM 49698 H2 TIP3 4437 84.964 76.808 24.504 1.00 0.00 WT4 H ATOM 49699 OH2 TIP3 4438 42.458 25.426 -11.916 1.00 0.00 WT4 O ATOM 49700 H1 TIP3 4438 42.770 25.859 -12.711 1.00 0.00 WT4 H ATOM 49701 H2 TIP3 4438 43.223 25.401 -11.341 1.00 0.00 WT4 H ATOM 49702 OH2 TIP3 4453 68.464 71.740 -15.226 1.00 0.00 WT4 O ATOM 49703 H1 TIP3 4453 68.459 71.087 -14.527 1.00 0.00 WT4 H ATOM 49704 H2 TIP3 4453 69.329 72.145 -15.171 1.00 0.00 WT4 H ATOM 49705 OH2 TIP3 4455 70.684 74.952 59.077 1.00 0.00 WT4 O ATOM 49706 H1 TIP3 4455 71.462 75.175 58.566 1.00 0.00 WT4 H ATOM 49707 H2 TIP3 4455 69.969 75.413 58.638 1.00 0.00 WT4 H ATOM 49708 OH2 TIP3 4457 68.999 4.216 66.433 1.00 0.00 WT4 O ATOM 49709 H1 TIP3 4457 69.010 4.095 65.483 1.00 0.00 WT4 H ATOM 49710 H2 TIP3 4457 68.070 4.245 66.660 1.00 0.00 WT4 H ATOM 49711 OH2 TIP3 4461 69.384 43.046 -19.245 1.00 0.00 WT4 O ATOM 49712 H1 TIP3 4461 69.072 43.692 -18.610 1.00 0.00 WT4 H ATOM 49713 H2 TIP3 4461 69.121 43.399 -20.095 1.00 0.00 WT4 H ATOM 49714 OH2 TIP3 4473 28.253 86.173 28.303 1.00 0.00 WT4 O ATOM 49715 H1 TIP3 4473 29.186 85.962 28.341 1.00 0.00 WT4 H ATOM 49716 H2 TIP3 4473 28.207 87.099 28.542 1.00 0.00 WT4 H ATOM 49717 OH2 TIP3 4477 25.832 79.470 54.650 1.00 0.00 WT4 O ATOM 49718 H1 TIP3 4477 26.265 79.307 53.813 1.00 0.00 WT4 H ATOM 49719 H2 TIP3 4477 25.143 80.103 54.446 1.00 0.00 WT4 H ATOM 49720 OH2 TIP3 4478 40.085 10.529 55.107 1.00 0.00 WT4 O ATOM 49721 H1 TIP3 4478 40.922 10.073 55.189 1.00 0.00 WT4 H ATOM 49722 H2 TIP3 4478 39.778 10.630 56.008 1.00 0.00 WT4 H ATOM 49723 OH2 TIP3 4479 63.507 75.466 -15.262 1.00 0.00 WT4 O ATOM 49724 H1 TIP3 4479 62.622 75.110 -15.183 1.00 0.00 WT4 H ATOM 49725 H2 TIP3 4479 63.924 74.928 -15.934 1.00 0.00 WT4 H ATOM 49726 OH2 TIP3 4480 49.239 79.630 -2.052 1.00 0.00 WT4 O ATOM 49727 H1 TIP3 4480 49.055 78.722 -1.813 1.00 0.00 WT4 H ATOM 49728 H2 TIP3 4480 49.703 79.989 -1.295 1.00 0.00 WT4 H ATOM 49729 OH2 TIP3 4496 59.058 78.585 3.650 1.00 0.00 WT4 O ATOM 49730 H1 TIP3 4496 59.833 78.111 3.951 1.00 0.00 WT4 H ATOM 49731 H2 TIP3 4496 58.450 78.544 4.389 1.00 0.00 WT4 H ATOM 49732 OH2 TIP3 4499 31.184 57.765 12.263 1.00 0.00 WT4 O ATOM 49733 H1 TIP3 4499 31.848 58.451 12.337 1.00 0.00 WT4 H ATOM 49734 H2 TIP3 4499 30.936 57.573 13.168 1.00 0.00 WT4 H ATOM 49735 OH2 TIP3 4500 45.685 4.758 25.047 1.00 0.00 WT4 O ATOM 49736 H1 TIP3 4500 44.777 5.028 24.913 1.00 0.00 WT4 H ATOM 49737 H2 TIP3 4500 46.126 4.984 24.228 1.00 0.00 WT4 H ATOM 49738 OH2 TIP3 4501 74.618 25.716 -1.300 1.00 0.00 WT4 O ATOM 49739 H1 TIP3 4501 74.796 26.656 -1.311 1.00 0.00 WT4 H ATOM 49740 H2 TIP3 4501 74.733 25.460 -0.385 1.00 0.00 WT4 H ATOM 49741 OH2 TIP3 4513 31.632 57.996 -2.433 1.00 0.00 WT4 O ATOM 49742 H1 TIP3 4513 31.426 57.232 -2.971 1.00 0.00 WT4 H ATOM 49743 H2 TIP3 4513 32.026 57.633 -1.640 1.00 0.00 WT4 H ATOM 49744 OH2 TIP3 4515 27.151 22.962 16.973 1.00 0.00 WT4 O ATOM 49745 H1 TIP3 4515 26.791 23.411 17.737 1.00 0.00 WT4 H ATOM 49746 H2 TIP3 4515 26.528 23.147 16.270 1.00 0.00 WT4 H ATOM 49747 OH2 TIP3 4516 49.274 30.652 62.866 1.00 0.00 WT4 O ATOM 49748 H1 TIP3 4516 48.326 30.752 62.785 1.00 0.00 WT4 H ATOM 49749 H2 TIP3 4516 49.635 31.221 62.187 1.00 0.00 WT4 H ATOM 49750 OH2 TIP3 4517 58.287 60.710 -6.063 1.00 0.00 WT4 O ATOM 49751 H1 TIP3 4517 58.440 61.307 -5.331 1.00 0.00 WT4 H ATOM 49752 H2 TIP3 4517 57.355 60.498 -6.009 1.00 0.00 WT4 H ATOM 49753 OH2 TIP3 4518 36.570 79.813 61.736 1.00 0.00 WT4 O ATOM 49754 H1 TIP3 4518 37.311 80.302 62.095 1.00 0.00 WT4 H ATOM 49755 H2 TIP3 4518 36.880 79.497 60.887 1.00 0.00 WT4 H ATOM 49756 OH2 TIP3 4519 39.139 93.574 10.348 1.00 0.00 WT4 O ATOM 49757 H1 TIP3 4519 39.112 92.823 9.756 1.00 0.00 WT4 H ATOM 49758 H2 TIP3 4519 39.664 94.227 9.884 1.00 0.00 WT4 H ATOM 49759 OH2 TIP3 4523 58.110 3.502 20.567 1.00 0.00 WT4 O ATOM 49760 H1 TIP3 4523 58.942 3.031 20.598 1.00 0.00 WT4 H ATOM 49761 H2 TIP3 4523 58.234 4.246 21.157 1.00 0.00 WT4 H ATOM 49762 OH2 TIP3 4524 22.474 70.591 64.718 1.00 0.00 WT4 O ATOM 49763 H1 TIP3 4524 22.402 70.522 65.670 1.00 0.00 WT4 H ATOM 49764 H2 TIP3 4524 22.782 71.484 64.565 1.00 0.00 WT4 H ATOM 49765 OH2 TIP3 4536 37.978 40.128 28.212 1.00 0.00 WT4 O ATOM 49766 H1 TIP3 4536 38.653 39.450 28.174 1.00 0.00 WT4 H ATOM 49767 H2 TIP3 4536 38.230 40.677 28.955 1.00 0.00 WT4 H ATOM 49768 OH2 TIP3 4537 56.426 93.273 51.023 1.00 0.00 WT4 O ATOM 49769 H1 TIP3 4537 55.973 92.963 50.239 1.00 0.00 WT4 H ATOM 49770 H2 TIP3 4537 57.354 93.253 50.788 1.00 0.00 WT4 H ATOM 49771 OH2 TIP3 4538 29.104 75.306 48.683 1.00 0.00 WT4 O ATOM 49772 H1 TIP3 4538 28.966 76.247 48.580 1.00 0.00 WT4 H ATOM 49773 H2 TIP3 4538 28.418 75.028 49.291 1.00 0.00 WT4 H ATOM 49774 OH2 TIP3 4542 27.256 91.447 -10.894 1.00 0.00 WT4 O ATOM 49775 H1 TIP3 4542 26.400 91.255 -10.512 1.00 0.00 WT4 H ATOM 49776 H2 TIP3 4542 27.480 92.314 -10.556 1.00 0.00 WT4 H ATOM 49777 OH2 TIP3 4544 36.893 47.407 28.804 1.00 0.00 WT4 O ATOM 49778 H1 TIP3 4544 37.772 47.531 28.447 1.00 0.00 WT4 H ATOM 49779 H2 TIP3 4544 36.376 48.116 28.422 1.00 0.00 WT4 H ATOM 49780 OH2 TIP3 4553 76.489 73.931 -10.365 1.00 0.00 WT4 O ATOM 49781 H1 TIP3 4553 75.953 74.700 -10.171 1.00 0.00 WT4 H ATOM 49782 H2 TIP3 4553 76.666 73.993 -11.304 1.00 0.00 WT4 H ATOM 49783 OH2 TIP3 4558 34.250 81.570 34.315 1.00 0.00 WT4 O ATOM 49784 H1 TIP3 4558 34.796 81.555 35.100 1.00 0.00 WT4 H ATOM 49785 H2 TIP3 4558 34.486 80.770 33.844 1.00 0.00 WT4 H ATOM 49786 OH2 TIP3 4559 90.078 84.593 42.458 1.00 0.00 WT4 O ATOM 49787 H1 TIP3 4559 89.135 84.540 42.613 1.00 0.00 WT4 H ATOM 49788 H2 TIP3 4559 90.462 84.004 43.108 1.00 0.00 WT4 H ATOM 49789 OH2 TIP3 4560 55.931 80.253 18.336 1.00 0.00 WT4 O ATOM 49790 H1 TIP3 4560 55.210 79.648 18.159 1.00 0.00 WT4 H ATOM 49791 H2 TIP3 4560 55.566 80.887 18.954 1.00 0.00 WT4 H ATOM 49792 OH2 TIP3 4561 37.065 11.136 50.353 1.00 0.00 WT4 O ATOM 49793 H1 TIP3 4561 37.385 10.450 50.939 1.00 0.00 WT4 H ATOM 49794 H2 TIP3 4561 36.941 11.897 50.920 1.00 0.00 WT4 H ATOM 49795 OH2 TIP3 4562 39.934 58.946 41.972 1.00 0.00 WT4 O ATOM 49796 H1 TIP3 4562 40.052 59.835 41.637 1.00 0.00 WT4 H ATOM 49797 H2 TIP3 4562 40.721 58.478 41.695 1.00 0.00 WT4 H ATOM 49798 OH2 TIP3 4569 30.356 8.485 53.105 1.00 0.00 WT4 O ATOM 49799 H1 TIP3 4569 30.842 8.085 52.383 1.00 0.00 WT4 H ATOM 49800 H2 TIP3 4569 29.934 9.250 52.716 1.00 0.00 WT4 H ATOM 49801 OH2 TIP3 4578 88.354 52.190 36.677 1.00 0.00 WT4 O ATOM 49802 H1 TIP3 4578 87.560 51.892 37.121 1.00 0.00 WT4 H ATOM 49803 H2 TIP3 4578 88.768 51.388 36.361 1.00 0.00 WT4 H ATOM 49804 OH2 TIP3 4581 50.641 61.914 63.709 1.00 0.00 WT4 O ATOM 49805 H1 TIP3 4581 50.454 62.466 64.468 1.00 0.00 WT4 H ATOM 49806 H2 TIP3 4581 50.009 62.194 63.047 1.00 0.00 WT4 H ATOM 49807 OH2 TIP3 4582 31.039 84.904 50.233 1.00 0.00 WT4 O ATOM 49808 H1 TIP3 4582 30.730 85.461 49.519 1.00 0.00 WT4 H ATOM 49809 H2 TIP3 4582 30.242 84.528 50.606 1.00 0.00 WT4 H ATOM 49810 OH2 TIP3 4586 51.981 58.459 0.895 1.00 0.00 WT4 O ATOM 49811 H1 TIP3 4586 51.960 58.173 1.809 1.00 0.00 WT4 H ATOM 49812 H2 TIP3 4586 52.631 59.161 0.878 1.00 0.00 WT4 H ATOM 49813 OH2 TIP3 4599 34.359 46.369 31.668 1.00 0.00 WT4 O ATOM 49814 H1 TIP3 4599 34.707 46.057 32.504 1.00 0.00 WT4 H ATOM 49815 H2 TIP3 4599 34.935 45.981 31.009 1.00 0.00 WT4 H ATOM 49816 OH2 TIP3 4600 56.258 89.091 8.152 1.00 0.00 WT4 O ATOM 49817 H1 TIP3 4600 56.300 89.310 7.221 1.00 0.00 WT4 H ATOM 49818 H2 TIP3 4600 55.322 89.004 8.336 1.00 0.00 WT4 H ATOM 49819 OH2 TIP3 4624 82.249 1.432 -5.140 1.00 0.00 WT4 O ATOM 49820 H1 TIP3 4624 82.079 2.258 -4.687 1.00 0.00 WT4 H ATOM 49821 H2 TIP3 4624 82.050 1.616 -6.058 1.00 0.00 WT4 H ATOM 49822 OH2 TIP3 4625 46.546 41.120 28.987 1.00 0.00 WT4 O ATOM 49823 H1 TIP3 4625 47.021 41.841 28.575 1.00 0.00 WT4 H ATOM 49824 H2 TIP3 4625 46.786 40.349 28.472 1.00 0.00 WT4 H ATOM 49825 OH2 TIP3 4628 54.184 70.864 32.838 1.00 0.00 WT4 O ATOM 49826 H1 TIP3 4628 53.514 71.220 33.421 1.00 0.00 WT4 H ATOM 49827 H2 TIP3 4628 54.905 70.622 33.419 1.00 0.00 WT4 H ATOM 49828 OH2 TIP3 4644 55.658 4.213 3.457 1.00 0.00 WT4 O ATOM 49829 H1 TIP3 4644 55.147 4.640 4.145 1.00 0.00 WT4 H ATOM 49830 H2 TIP3 4644 56.528 4.607 3.525 1.00 0.00 WT4 H ATOM 49831 OH2 TIP3 4663 90.215 94.804 25.652 1.00 0.00 WT4 O ATOM 49832 H1 TIP3 4663 91.149 94.777 25.862 1.00 0.00 WT4 H ATOM 49833 H2 TIP3 4663 89.777 94.726 26.500 1.00 0.00 WT4 H ATOM 49834 OH2 TIP3 4725 74.175 87.867 56.151 1.00 0.00 WT4 O ATOM 49835 H1 TIP3 4725 73.693 87.623 56.941 1.00 0.00 WT4 H ATOM 49836 H2 TIP3 4725 74.374 87.034 55.724 1.00 0.00 WT4 H ATOM 49837 OH2 TIP3 4808 85.965 94.731 60.986 1.00 0.00 WT4 O ATOM 49838 H1 TIP3 4808 85.272 95.255 61.388 1.00 0.00 WT4 H ATOM 49839 H2 TIP3 4808 86.350 95.306 60.326 1.00 0.00 WT4 H ATOM 49840 OH2 TIP3 4834 73.365 59.896 56.383 1.00 0.00 WT4 O ATOM 49841 H1 TIP3 4834 72.572 60.016 55.861 1.00 0.00 WT4 H ATOM 49842 H2 TIP3 4834 73.688 60.784 56.534 1.00 0.00 WT4 H ATOM 49843 OH2 TIP3 4836 56.297 77.877 35.007 1.00 0.00 WT4 O ATOM 49844 H1 TIP3 4836 55.930 77.140 35.495 1.00 0.00 WT4 H ATOM 49845 H2 TIP3 4836 56.454 77.530 34.129 1.00 0.00 WT4 H ATOM 49846 OH2 TIP3 4849 34.709 40.899 55.967 1.00 0.00 WT4 O ATOM 49847 H1 TIP3 4849 35.473 41.207 55.479 1.00 0.00 WT4 H ATOM 49848 H2 TIP3 4849 33.959 41.187 55.446 1.00 0.00 WT4 H ATOM 49849 OH2 TIP3 4851 78.012 76.714 28.817 1.00 0.00 WT4 O ATOM 49850 H1 TIP3 4851 77.955 75.963 29.407 1.00 0.00 WT4 H ATOM 49851 H2 TIP3 4851 77.611 76.412 28.003 1.00 0.00 WT4 H ATOM 49852 OH2 TIP3 4855 43.743 85.637 8.112 1.00 0.00 WT4 O ATOM 49853 H1 TIP3 4855 42.793 85.587 8.002 1.00 0.00 WT4 H ATOM 49854 H2 TIP3 4855 44.096 85.405 7.253 1.00 0.00 WT4 H ATOM 49855 OH2 TIP3 4857 63.184 41.845 -2.552 1.00 0.00 WT4 O ATOM 49856 H1 TIP3 4857 63.402 42.503 -3.212 1.00 0.00 WT4 H ATOM 49857 H2 TIP3 4857 63.063 42.346 -1.745 1.00 0.00 WT4 H ATOM 49858 OH2 TIP3 4863 57.827 43.568 63.691 1.00 0.00 WT4 O ATOM 49859 H1 TIP3 4863 57.969 43.791 62.771 1.00 0.00 WT4 H ATOM 49860 H2 TIP3 4863 57.467 42.681 63.670 1.00 0.00 WT4 H ATOM 49861 OH2 TIP3 4872 69.307 30.669 28.855 1.00 0.00 WT4 O ATOM 49862 H1 TIP3 4872 70.051 30.372 29.378 1.00 0.00 WT4 H ATOM 49863 H2 TIP3 4872 68.574 30.131 29.154 1.00 0.00 WT4 H ATOM 49864 OH2 TIP3 4875 25.088 50.577 61.013 1.00 0.00 WT4 O ATOM 49865 H1 TIP3 4875 24.828 50.532 61.933 1.00 0.00 WT4 H ATOM 49866 H2 TIP3 4875 25.888 50.054 60.964 1.00 0.00 WT4 H ATOM 49867 OH2 TIP3 4877 25.714 60.357 -3.214 1.00 0.00 WT4 O ATOM 49868 H1 TIP3 4877 25.650 59.415 -3.058 1.00 0.00 WT4 H ATOM 49869 H2 TIP3 4877 25.687 60.747 -2.340 1.00 0.00 WT4 H ATOM 49870 OH2 TIP3 4893 60.126 26.437 56.593 1.00 0.00 WT4 O ATOM 49871 H1 TIP3 4893 60.992 26.842 56.649 1.00 0.00 WT4 H ATOM 49872 H2 TIP3 4893 60.051 25.920 57.395 1.00 0.00 WT4 H ATOM 49873 OH2 TIP3 4896 31.198 85.868 -11.843 1.00 0.00 WT4 O ATOM 49874 H1 TIP3 4896 30.572 85.639 -12.531 1.00 0.00 WT4 H ATOM 49875 H2 TIP3 4896 31.583 86.694 -12.133 1.00 0.00 WT4 H ATOM 49876 OH2 TIP3 4897 66.856 49.866 63.682 1.00 0.00 WT4 O ATOM 49877 H1 TIP3 4897 66.943 50.335 62.852 1.00 0.00 WT4 H ATOM 49878 H2 TIP3 4897 65.935 49.970 63.920 1.00 0.00 WT4 H ATOM 49879 OH2 TIP3 4898 71.751 88.063 62.514 1.00 0.00 WT4 O ATOM 49880 H1 TIP3 4898 71.540 87.418 63.189 1.00 0.00 WT4 H ATOM 49881 H2 TIP3 4898 72.616 88.393 62.759 1.00 0.00 WT4 H ATOM 49882 OH2 TIP3 4899 28.478 68.967 37.758 1.00 0.00 WT4 O ATOM 49883 H1 TIP3 4899 27.822 69.246 37.120 1.00 0.00 WT4 H ATOM 49884 H2 TIP3 4899 29.113 68.466 37.246 1.00 0.00 WT4 H ATOM 49885 OH2 TIP3 4914 54.174 75.179 45.656 1.00 0.00 WT4 O ATOM 49886 H1 TIP3 4914 53.910 75.390 44.761 1.00 0.00 WT4 H ATOM 49887 H2 TIP3 4914 53.355 75.170 46.152 1.00 0.00 WT4 H ATOM 49888 OH2 TIP3 4915 47.667 30.859 46.513 1.00 0.00 WT4 O ATOM 49889 H1 TIP3 4915 47.266 31.106 47.346 1.00 0.00 WT4 H ATOM 49890 H2 TIP3 4915 48.247 31.589 46.299 1.00 0.00 WT4 H ATOM 49891 OH2 TIP3 4916 22.347 69.202 55.363 1.00 0.00 WT4 O ATOM 49892 H1 TIP3 4916 22.697 69.769 54.675 1.00 0.00 WT4 H ATOM 49893 H2 TIP3 4916 21.537 69.631 55.638 1.00 0.00 WT4 H ATOM 49894 OH2 TIP3 4919 82.311 51.570 0.855 1.00 0.00 WT4 O ATOM 49895 H1 TIP3 4919 82.508 52.014 1.679 1.00 0.00 WT4 H ATOM 49896 H2 TIP3 4919 82.205 52.279 0.220 1.00 0.00 WT4 H ATOM 49897 OH2 TIP3 4922 85.365 89.492 62.010 1.00 0.00 WT4 O ATOM 49898 H1 TIP3 4922 85.028 88.627 62.241 1.00 0.00 WT4 H ATOM 49899 H2 TIP3 4922 84.685 90.100 62.302 1.00 0.00 WT4 H ATOM 49900 OH2 TIP3 4924 42.023 45.446 61.631 1.00 0.00 WT4 O ATOM 49901 H1 TIP3 4924 42.322 45.909 60.848 1.00 0.00 WT4 H ATOM 49902 H2 TIP3 4924 42.698 45.623 62.286 1.00 0.00 WT4 H ATOM 49903 OH2 TIP3 4934 78.983 95.101 -11.774 1.00 0.00 WT4 O ATOM 49904 H1 TIP3 4934 78.230 95.682 -11.669 1.00 0.00 WT4 H ATOM 49905 H2 TIP3 4934 79.663 95.487 -11.223 1.00 0.00 WT4 H ATOM 49906 OH2 TIP3 4935 32.278 93.685 46.435 1.00 0.00 WT4 O ATOM 49907 H1 TIP3 4935 32.455 92.979 45.813 1.00 0.00 WT4 H ATOM 49908 H2 TIP3 4935 33.143 93.966 46.732 1.00 0.00 WT4 H ATOM 49909 OH2 TIP3 4936 43.858 9.490 -10.667 1.00 0.00 WT4 O ATOM 49910 H1 TIP3 4936 43.940 8.540 -10.586 1.00 0.00 WT4 H ATOM 49911 H2 TIP3 4936 43.290 9.745 -9.940 1.00 0.00 WT4 H ATOM 49912 OH2 TIP3 4939 62.750 76.286 2.392 1.00 0.00 WT4 O ATOM 49913 H1 TIP3 4939 62.940 75.363 2.562 1.00 0.00 WT4 H ATOM 49914 H2 TIP3 4939 62.342 76.600 3.199 1.00 0.00 WT4 H ATOM 49915 OH2 TIP3 4942 58.073 96.704 62.713 1.00 0.00 WT4 O ATOM 49916 H1 TIP3 4942 57.596 96.309 61.982 1.00 0.00 WT4 H ATOM 49917 H2 TIP3 4942 58.169 95.994 63.348 1.00 0.00 WT4 H ATOM 49918 OH2 TIP3 4956 89.809 89.692 30.340 1.00 0.00 WT4 O ATOM 49919 H1 TIP3 4956 89.722 90.139 29.498 1.00 0.00 WT4 H ATOM 49920 H2 TIP3 4956 88.909 89.508 30.608 1.00 0.00 WT4 H ATOM 49921 OH2 TIP3 4957 22.686 77.110 17.491 1.00 0.00 WT4 O ATOM 49922 H1 TIP3 4957 22.744 76.479 16.774 1.00 0.00 WT4 H ATOM 49923 H2 TIP3 4957 22.674 77.964 17.058 1.00 0.00 WT4 H ATOM 49924 OH2 TIP3 4962 49.670 91.707 45.374 1.00 0.00 WT4 O ATOM 49925 H1 TIP3 4962 48.850 91.262 45.587 1.00 0.00 WT4 H ATOM 49926 H2 TIP3 4962 50.281 90.999 45.168 1.00 0.00 WT4 H ATOM 49927 OH2 TIP3 4963 42.590 50.501 5.663 1.00 0.00 WT4 O ATOM 49928 H1 TIP3 4963 43.445 50.543 5.236 1.00 0.00 WT4 H ATOM 49929 H2 TIP3 4963 42.666 51.093 6.411 1.00 0.00 WT4 H ATOM 49930 OH2 TIP3 4965 59.478 74.885 50.269 1.00 0.00 WT4 O ATOM 49931 H1 TIP3 4965 60.098 74.262 49.889 1.00 0.00 WT4 H ATOM 49932 H2 TIP3 4965 58.653 74.402 50.318 1.00 0.00 WT4 H ATOM 49933 OH2 TIP3 4978 89.545 86.346 53.792 1.00 0.00 WT4 O ATOM 49934 H1 TIP3 4978 88.597 86.294 53.917 1.00 0.00 WT4 H ATOM 49935 H2 TIP3 4978 89.837 86.989 54.438 1.00 0.00 WT4 H ATOM 49936 OH2 TIP3 4980 73.908 53.480 24.152 1.00 0.00 WT4 O ATOM 49937 H1 TIP3 4980 73.985 52.769 23.515 1.00 0.00 WT4 H ATOM 49938 H2 TIP3 4980 73.122 53.268 24.654 1.00 0.00 WT4 H ATOM 49939 OH2 TIP3 4981 72.616 69.929 50.393 1.00 0.00 WT4 O ATOM 49940 H1 TIP3 4981 72.218 69.060 50.332 1.00 0.00 WT4 H ATOM 49941 H2 TIP3 4981 72.164 70.349 51.125 1.00 0.00 WT4 H ATOM 49942 OH2 TIP3 4982 69.655 9.799 52.092 1.00 0.00 WT4 O ATOM 49943 H1 TIP3 4982 68.849 9.657 51.595 1.00 0.00 WT4 H ATOM 49944 H2 TIP3 4982 69.420 10.458 52.746 1.00 0.00 WT4 H ATOM 49945 OH2 TIP3 4983 53.210 83.828 18.696 1.00 0.00 WT4 O ATOM 49946 H1 TIP3 4983 54.101 83.712 19.027 1.00 0.00 WT4 H ATOM 49947 H2 TIP3 4983 53.022 83.017 18.224 1.00 0.00 WT4 H ATOM 49948 OH2 TIP3 4985 57.452 25.474 49.214 1.00 0.00 WT4 O ATOM 49949 H1 TIP3 4985 58.260 25.857 49.557 1.00 0.00 WT4 H ATOM 49950 H2 TIP3 4985 56.752 25.967 49.643 1.00 0.00 WT4 H ATOM 49951 OH2 TIP3 4996 68.749 76.395 57.996 1.00 0.00 WT4 O ATOM 49952 H1 TIP3 4996 69.184 76.345 57.145 1.00 0.00 WT4 H ATOM 49953 H2 TIP3 4996 68.440 77.299 58.055 1.00 0.00 WT4 H ATOM 49954 OH2 TIP3 4998 39.155 95.392 53.482 1.00 0.00 WT4 O ATOM 49955 H1 TIP3 4998 39.679 94.596 53.396 1.00 0.00 WT4 H ATOM 49956 H2 TIP3 4998 39.632 96.049 52.975 1.00 0.00 WT4 H ATOM 49957 OH2 TIP3 4999 78.575 69.362 -8.655 1.00 0.00 WT4 O ATOM 49958 H1 TIP3 4999 79.216 69.834 -8.124 1.00 0.00 WT4 H ATOM 49959 H2 TIP3 4999 77.733 69.750 -8.415 1.00 0.00 WT4 H ATOM 49960 OH2 TIP3 5000 85.430 73.463 -11.946 1.00 0.00 WT4 O ATOM 49961 H1 TIP3 5000 84.997 74.307 -12.076 1.00 0.00 WT4 H ATOM 49962 H2 TIP3 5000 85.912 73.565 -11.125 1.00 0.00 WT4 H ATOM 49963 OH2 TIP3 5001 21.888 38.016 61.280 1.00 0.00 WT4 O ATOM 49964 H1 TIP3 5001 22.739 37.620 61.092 1.00 0.00 WT4 H ATOM 49965 H2 TIP3 5001 21.979 38.926 60.996 1.00 0.00 WT4 H ATOM 49966 OH2 TIP3 5002 20.827 76.019 53.189 1.00 0.00 WT4 O ATOM 49967 H1 TIP3 5002 21.450 75.393 53.558 1.00 0.00 WT4 H ATOM 49968 H2 TIP3 5002 20.995 75.999 52.247 1.00 0.00 WT4 H ATOM 49969 OH2 TIP3 5004 78.064 74.346 -13.098 1.00 0.00 WT4 O ATOM 49970 H1 TIP3 5004 77.603 73.917 -13.819 1.00 0.00 WT4 H ATOM 49971 H2 TIP3 5004 78.941 73.963 -13.111 1.00 0.00 WT4 H ATOM 49972 OH2 TIP3 5005 35.814 10.275 -11.879 1.00 0.00 WT4 O ATOM 49973 H1 TIP3 5005 35.923 10.960 -12.538 1.00 0.00 WT4 H ATOM 49974 H2 TIP3 5005 36.309 9.531 -12.223 1.00 0.00 WT4 H ATOM 49975 OH2 TIP3 5019 22.261 71.861 36.652 1.00 0.00 WT4 O ATOM 49976 H1 TIP3 5019 23.095 71.912 36.184 1.00 0.00 WT4 H ATOM 49977 H2 TIP3 5019 21.598 71.971 35.971 1.00 0.00 WT4 H ATOM 49978 OH2 TIP3 5021 56.531 91.517 41.346 1.00 0.00 WT4 O ATOM 49979 H1 TIP3 5021 56.677 92.220 40.712 1.00 0.00 WT4 H ATOM 49980 H2 TIP3 5021 55.877 90.954 40.934 1.00 0.00 WT4 H ATOM 49981 OH2 TIP3 5023 31.603 10.279 8.436 1.00 0.00 WT4 O ATOM 49982 H1 TIP3 5023 32.084 11.105 8.386 1.00 0.00 WT4 H ATOM 49983 H2 TIP3 5023 31.999 9.815 9.173 1.00 0.00 WT4 H ATOM 49984 OH2 TIP3 5025 20.741 56.844 -6.692 1.00 0.00 WT4 O ATOM 49985 H1 TIP3 5025 20.107 57.208 -6.073 1.00 0.00 WT4 H ATOM 49986 H2 TIP3 5025 20.801 55.918 -6.458 1.00 0.00 WT4 H ATOM 49987 OH2 TIP3 5043 64.825 17.900 -12.591 1.00 0.00 WT4 O ATOM 49988 H1 TIP3 5043 65.465 18.607 -12.507 1.00 0.00 WT4 H ATOM 49989 H2 TIP3 5043 64.802 17.708 -13.529 1.00 0.00 WT4 H ATOM 49990 OH2 TIP3 5044 50.089 77.231 60.753 1.00 0.00 WT4 O ATOM 49991 H1 TIP3 5044 50.517 77.351 59.906 1.00 0.00 WT4 H ATOM 49992 H2 TIP3 5044 50.776 76.883 61.322 1.00 0.00 WT4 H ATOM 49993 OH2 TIP3 5049 61.765 49.428 45.678 1.00 0.00 WT4 O ATOM 49994 H1 TIP3 5049 62.006 50.246 45.243 1.00 0.00 WT4 H ATOM 49995 H2 TIP3 5049 61.139 49.016 45.082 1.00 0.00 WT4 H ATOM 49996 OH2 TIP3 5060 41.573 60.347 -0.738 1.00 0.00 WT4 O ATOM 49997 H1 TIP3 5060 42.364 60.380 -0.200 1.00 0.00 WT4 H ATOM 49998 H2 TIP3 5060 40.964 60.946 -0.307 1.00 0.00 WT4 H ATOM 49999 OH2 TIP3 5061 46.535 86.213 47.065 1.00 0.00 WT4 O ATOM 50000 H1 TIP3 5061 46.343 85.565 46.386 1.00 0.00 WT4 H ATOM 50001 H2 TIP3 5061 45.928 86.931 46.890 1.00 0.00 WT4 H ATOM 50002 OH2 TIP3 5063 40.027 86.948 32.561 1.00 0.00 WT4 O ATOM 50003 H1 TIP3 5063 39.903 87.605 33.246 1.00 0.00 WT4 H ATOM 50004 H2 TIP3 5063 39.692 87.363 31.766 1.00 0.00 WT4 H ATOM 50005 OH2 TIP3 5085 59.189 5.615 35.046 1.00 0.00 WT4 O ATOM 50006 H1 TIP3 5085 59.939 5.673 35.637 1.00 0.00 WT4 H ATOM 50007 H2 TIP3 5085 58.619 4.957 35.446 1.00 0.00 WT4 H ATOM 50008 OH2 TIP3 5088 76.758 93.368 40.769 1.00 0.00 WT4 O ATOM 50009 H1 TIP3 5088 77.280 93.835 41.422 1.00 0.00 WT4 H ATOM 50010 H2 TIP3 5088 76.486 92.563 41.211 1.00 0.00 WT4 H ATOM 50011 OH2 TIP3 5133 87.179 17.677 -0.088 1.00 0.00 WT4 O ATOM 50012 H1 TIP3 5133 88.073 17.452 0.173 1.00 0.00 WT4 H ATOM 50013 H2 TIP3 5133 86.636 17.394 0.647 1.00 0.00 WT4 H ATOM 50014 OH2 TIP3 5134 33.853 5.333 63.440 1.00 0.00 WT4 O ATOM 50015 H1 TIP3 5134 33.428 4.726 64.046 1.00 0.00 WT4 H ATOM 50016 H2 TIP3 5134 33.984 6.131 63.953 1.00 0.00 WT4 H ATOM 50017 OH2 TIP3 5164 24.561 51.058 50.960 1.00 0.00 WT4 O ATOM 50018 H1 TIP3 5164 24.144 51.919 50.940 1.00 0.00 WT4 H ATOM 50019 H2 TIP3 5164 25.437 51.223 51.308 1.00 0.00 WT4 H ATOM 50020 OH2 TIP3 5166 47.956 60.241 0.624 1.00 0.00 WT4 O ATOM 50021 H1 TIP3 5166 47.431 60.717 1.267 1.00 0.00 WT4 H ATOM 50022 H2 TIP3 5166 48.323 59.504 1.112 1.00 0.00 WT4 H ATOM 50023 OH2 TIP3 5193 41.764 28.760 23.775 1.00 0.00 WT4 O ATOM 50024 H1 TIP3 5193 41.922 27.825 23.650 1.00 0.00 WT4 H ATOM 50025 H2 TIP3 5193 41.137 28.804 24.496 1.00 0.00 WT4 H ATOM 50026 OH2 TIP3 5234 65.610 28.634 -14.464 1.00 0.00 WT4 O ATOM 50027 H1 TIP3 5234 65.269 28.229 -13.667 1.00 0.00 WT4 H ATOM 50028 H2 TIP3 5234 64.878 29.148 -14.804 1.00 0.00 WT4 H ATOM 50029 OH2 TIP3 5251 58.856 34.710 -13.882 1.00 0.00 WT4 O ATOM 50030 H1 TIP3 5251 58.877 35.145 -13.030 1.00 0.00 WT4 H ATOM 50031 H2 TIP3 5251 59.568 35.117 -14.376 1.00 0.00 WT4 H ATOM 50032 OH2 TIP3 5259 53.489 62.802 44.489 1.00 0.00 WT4 O ATOM 50033 H1 TIP3 5259 54.110 62.099 44.683 1.00 0.00 WT4 H ATOM 50034 H2 TIP3 5259 53.499 62.874 43.535 1.00 0.00 WT4 H ATOM 50035 OH2 TIP3 5260 49.461 89.091 7.990 1.00 0.00 WT4 O ATOM 50036 H1 TIP3 5260 50.229 89.160 8.556 1.00 0.00 WT4 H ATOM 50037 H2 TIP3 5260 48.719 89.071 8.595 1.00 0.00 WT4 H ATOM 50038 OH2 TIP3 5271 69.623 76.717 25.449 1.00 0.00 WT4 O ATOM 50039 H1 TIP3 5271 69.764 76.107 24.726 1.00 0.00 WT4 H ATOM 50040 H2 TIP3 5271 69.675 76.174 26.235 1.00 0.00 WT4 H ATOM 50041 OH2 TIP3 5272 32.324 71.715 -4.835 1.00 0.00 WT4 O ATOM 50042 H1 TIP3 5272 32.740 70.952 -5.238 1.00 0.00 WT4 H ATOM 50043 H2 TIP3 5272 32.788 71.830 -4.006 1.00 0.00 WT4 H ATOM 50044 OH2 TIP3 5296 27.346 7.014 63.446 1.00 0.00 WT4 O ATOM 50045 H1 TIP3 5296 27.915 6.611 62.790 1.00 0.00 WT4 H ATOM 50046 H2 TIP3 5296 27.946 7.461 64.043 1.00 0.00 WT4 H ATOM 50047 OH2 TIP3 5304 35.518 48.682 -9.461 1.00 0.00 WT4 O ATOM 50048 H1 TIP3 5304 35.479 49.527 -9.908 1.00 0.00 WT4 H ATOM 50049 H2 TIP3 5304 36.454 48.509 -9.355 1.00 0.00 WT4 H ATOM 50050 OH2 TIP3 5317 72.317 77.847 28.872 1.00 0.00 WT4 O ATOM 50051 H1 TIP3 5317 71.383 77.832 28.662 1.00 0.00 WT4 H ATOM 50052 H2 TIP3 5317 72.358 78.207 29.757 1.00 0.00 WT4 H ATOM 50053 OH2 TIP3 5318 80.427 71.670 58.947 1.00 0.00 WT4 O ATOM 50054 H1 TIP3 5318 80.676 72.203 59.702 1.00 0.00 WT4 H ATOM 50055 H2 TIP3 5318 80.875 72.078 58.206 1.00 0.00 WT4 H ATOM 50056 OH2 TIP3 5319 64.038 67.191 55.761 1.00 0.00 WT4 O ATOM 50057 H1 TIP3 5319 63.872 68.089 55.474 1.00 0.00 WT4 H ATOM 50058 H2 TIP3 5319 63.817 66.651 55.003 1.00 0.00 WT4 H ATOM 50059 OH2 TIP3 5320 77.242 80.054 44.264 1.00 0.00 WT4 O ATOM 50060 H1 TIP3 5320 76.617 79.449 43.864 1.00 0.00 WT4 H ATOM 50061 H2 TIP3 5320 77.709 79.524 44.910 1.00 0.00 WT4 H ATOM 50062 OH2 TIP3 5332 59.451 45.689 43.340 1.00 0.00 WT4 O ATOM 50063 H1 TIP3 5332 58.796 45.232 42.813 1.00 0.00 WT4 H ATOM 50064 H2 TIP3 5332 59.489 45.194 44.159 1.00 0.00 WT4 H ATOM 50065 OH2 TIP3 5341 55.295 93.886 44.783 1.00 0.00 WT4 O ATOM 50066 H1 TIP3 5341 54.392 94.165 44.636 1.00 0.00 WT4 H ATOM 50067 H2 TIP3 5341 55.738 94.058 43.952 1.00 0.00 WT4 H ATOM 50068 OH2 TIP3 5357 68.147 79.447 -13.039 1.00 0.00 WT4 O ATOM 50069 H1 TIP3 5357 67.385 79.123 -13.520 1.00 0.00 WT4 H ATOM 50070 H2 TIP3 5357 68.898 79.141 -13.548 1.00 0.00 WT4 H ATOM 50071 OH2 TIP3 5358 30.617 68.481 65.452 1.00 0.00 WT4 O ATOM 50072 H1 TIP3 5358 30.737 67.945 64.668 1.00 0.00 WT4 H ATOM 50073 H2 TIP3 5358 31.297 69.152 65.389 1.00 0.00 WT4 H ATOM 50074 OH2 TIP3 5359 31.726 68.932 15.495 1.00 0.00 WT4 O ATOM 50075 H1 TIP3 5359 31.762 68.108 15.009 1.00 0.00 WT4 H ATOM 50076 H2 TIP3 5359 32.540 68.949 15.999 1.00 0.00 WT4 H ATOM 50077 OH2 TIP3 5360 58.195 64.020 49.386 1.00 0.00 WT4 O ATOM 50078 H1 TIP3 5360 59.015 64.374 49.042 1.00 0.00 WT4 H ATOM 50079 H2 TIP3 5360 58.348 63.078 49.452 1.00 0.00 WT4 H ATOM 50080 OH2 TIP3 5363 63.669 51.827 55.851 1.00 0.00 WT4 O ATOM 50081 H1 TIP3 5363 62.888 51.451 55.444 1.00 0.00 WT4 H ATOM 50082 H2 TIP3 5363 64.127 52.264 55.134 1.00 0.00 WT4 H ATOM 50083 OH2 TIP3 5364 89.985 11.228 35.371 1.00 0.00 WT4 O ATOM 50084 H1 TIP3 5364 89.656 12.127 35.380 1.00 0.00 WT4 H ATOM 50085 H2 TIP3 5364 89.693 10.857 36.204 1.00 0.00 WT4 H ATOM 50086 OH2 TIP3 5375 43.820 76.284 -0.416 1.00 0.00 WT4 O ATOM 50087 H1 TIP3 5375 44.336 75.487 -0.296 1.00 0.00 WT4 H ATOM 50088 H2 TIP3 5375 44.232 76.727 -1.158 1.00 0.00 WT4 H ATOM 50089 OH2 TIP3 5377 36.281 58.434 38.003 1.00 0.00 WT4 O ATOM 50090 H1 TIP3 5377 36.502 59.219 38.503 1.00 0.00 WT4 H ATOM 50091 H2 TIP3 5377 35.341 58.318 38.141 1.00 0.00 WT4 H ATOM 50092 OH2 TIP3 5378 27.633 63.221 66.969 1.00 0.00 WT4 O ATOM 50093 H1 TIP3 5378 27.930 64.108 66.769 1.00 0.00 WT4 H ATOM 50094 H2 TIP3 5378 28.188 62.941 67.698 1.00 0.00 WT4 H ATOM 50095 OH2 TIP3 5379 21.499 24.402 57.347 1.00 0.00 WT4 O ATOM 50096 H1 TIP3 5379 22.078 23.974 57.977 1.00 0.00 WT4 H ATOM 50097 H2 TIP3 5379 21.389 25.290 57.687 1.00 0.00 WT4 H ATOM 50098 OH2 TIP3 5380 82.469 43.245 24.143 1.00 0.00 WT4 O ATOM 50099 H1 TIP3 5380 83.030 43.340 23.373 1.00 0.00 WT4 H ATOM 50100 H2 TIP3 5380 81.891 44.006 24.114 1.00 0.00 WT4 H ATOM 50101 OH2 TIP3 5381 34.599 46.409 64.195 1.00 0.00 WT4 O ATOM 50102 H1 TIP3 5381 35.030 45.675 64.633 1.00 0.00 WT4 H ATOM 50103 H2 TIP3 5381 33.917 46.003 63.661 1.00 0.00 WT4 H ATOM 50104 OH2 TIP3 5382 81.479 83.097 0.231 1.00 0.00 WT4 O ATOM 50105 H1 TIP3 5382 81.341 84.019 0.013 1.00 0.00 WT4 H ATOM 50106 H2 TIP3 5382 82.408 83.040 0.457 1.00 0.00 WT4 H ATOM 50107 OH2 TIP3 5383 78.536 44.870 39.348 1.00 0.00 WT4 O ATOM 50108 H1 TIP3 5383 78.454 45.729 38.933 1.00 0.00 WT4 H ATOM 50109 H2 TIP3 5383 78.944 44.319 38.680 1.00 0.00 WT4 H ATOM 50110 OH2 TIP3 5384 27.247 44.680 -14.690 1.00 0.00 WT4 O ATOM 50111 H1 TIP3 5384 26.389 44.827 -15.088 1.00 0.00 WT4 H ATOM 50112 H2 TIP3 5384 27.577 45.558 -14.499 1.00 0.00 WT4 H ATOM 50113 OH2 TIP3 5385 21.645 15.812 44.461 1.00 0.00 WT4 O ATOM 50114 H1 TIP3 5385 21.588 14.915 44.130 1.00 0.00 WT4 H ATOM 50115 H2 TIP3 5385 22.580 15.953 44.612 1.00 0.00 WT4 H ATOM 50116 OH2 TIP3 5393 49.406 28.650 -8.143 1.00 0.00 WT4 O ATOM 50117 H1 TIP3 5393 50.115 28.233 -7.653 1.00 0.00 WT4 H ATOM 50118 H2 TIP3 5393 49.139 29.389 -7.596 1.00 0.00 WT4 H ATOM 50119 OH2 TIP3 5396 56.332 95.046 42.310 1.00 0.00 WT4 O ATOM 50120 H1 TIP3 5396 57.052 94.462 42.545 1.00 0.00 WT4 H ATOM 50121 H2 TIP3 5396 56.343 95.066 41.353 1.00 0.00 WT4 H ATOM 50122 OH2 TIP3 5399 65.182 93.323 -2.659 1.00 0.00 WT4 O ATOM 50123 H1 TIP3 5399 65.038 93.380 -1.715 1.00 0.00 WT4 H ATOM 50124 H2 TIP3 5399 64.568 92.651 -2.955 1.00 0.00 WT4 H ATOM 50125 OH2 TIP3 5400 68.040 36.176 12.843 1.00 0.00 WT4 O ATOM 50126 H1 TIP3 5400 67.459 35.955 13.571 1.00 0.00 WT4 H ATOM 50127 H2 TIP3 5400 67.875 37.104 12.677 1.00 0.00 WT4 H ATOM 50128 OH2 TIP3 5402 52.423 8.872 18.243 1.00 0.00 WT4 O ATOM 50129 H1 TIP3 5402 52.458 8.854 19.199 1.00 0.00 WT4 H ATOM 50130 H2 TIP3 5402 52.797 9.720 18.005 1.00 0.00 WT4 H ATOM 50131 OH2 TIP3 5404 61.938 79.709 62.202 1.00 0.00 WT4 O ATOM 50132 H1 TIP3 5404 62.415 80.248 62.833 1.00 0.00 WT4 H ATOM 50133 H2 TIP3 5404 62.319 78.836 62.296 1.00 0.00 WT4 H ATOM 50134 OH2 TIP3 5418 61.583 88.997 18.568 1.00 0.00 WT4 O ATOM 50135 H1 TIP3 5418 60.966 88.273 18.666 1.00 0.00 WT4 H ATOM 50136 H2 TIP3 5418 62.177 88.714 17.872 1.00 0.00 WT4 H ATOM 50137 OH2 TIP3 5419 75.386 81.171 -0.744 1.00 0.00 WT4 O ATOM 50138 H1 TIP3 5419 75.955 81.435 -1.467 1.00 0.00 WT4 H ATOM 50139 H2 TIP3 5419 75.919 80.567 -0.227 1.00 0.00 WT4 H ATOM 50140 OH2 TIP3 5420 77.916 85.357 29.856 1.00 0.00 WT4 O ATOM 50141 H1 TIP3 5420 77.337 85.797 29.233 1.00 0.00 WT4 H ATOM 50142 H2 TIP3 5420 78.799 85.543 29.536 1.00 0.00 WT4 H ATOM 50143 OH2 TIP3 5421 62.189 59.138 17.121 1.00 0.00 WT4 O ATOM 50144 H1 TIP3 5421 61.380 59.647 17.175 1.00 0.00 WT4 H ATOM 50145 H2 TIP3 5421 61.975 58.301 17.532 1.00 0.00 WT4 H ATOM 50146 OH2 TIP3 5422 34.869 21.298 50.918 1.00 0.00 WT4 O ATOM 50147 H1 TIP3 5422 34.508 20.720 51.590 1.00 0.00 WT4 H ATOM 50148 H2 TIP3 5422 35.488 21.856 51.388 1.00 0.00 WT4 H ATOM 50149 OH2 TIP3 5426 49.102 92.711 52.361 1.00 0.00 WT4 O ATOM 50150 H1 TIP3 5426 48.341 92.428 51.853 1.00 0.00 WT4 H ATOM 50151 H2 TIP3 5426 49.794 92.828 51.710 1.00 0.00 WT4 H ATOM 50152 OH2 TIP3 5430 24.119 82.169 3.348 1.00 0.00 WT4 O ATOM 50153 H1 TIP3 5430 23.442 81.644 3.775 1.00 0.00 WT4 H ATOM 50154 H2 TIP3 5430 24.943 81.811 3.677 1.00 0.00 WT4 H ATOM 50155 OH2 TIP3 5434 36.393 2.758 39.056 1.00 0.00 WT4 O ATOM 50156 H1 TIP3 5434 36.137 1.976 39.545 1.00 0.00 WT4 H ATOM 50157 H2 TIP3 5434 35.625 3.328 39.096 1.00 0.00 WT4 H ATOM 50158 OH2 TIP3 5440 34.627 68.152 52.994 1.00 0.00 WT4 O ATOM 50159 H1 TIP3 5440 34.439 68.872 53.597 1.00 0.00 WT4 H ATOM 50160 H2 TIP3 5440 33.795 67.989 52.549 1.00 0.00 WT4 H ATOM 50161 OH2 TIP3 5442 67.224 84.715 30.836 1.00 0.00 WT4 O ATOM 50162 H1 TIP3 5442 66.440 84.169 30.783 1.00 0.00 WT4 H ATOM 50163 H2 TIP3 5442 66.893 85.613 30.833 1.00 0.00 WT4 H ATOM 50164 OH2 TIP3 5443 42.473 79.250 -10.799 1.00 0.00 WT4 O ATOM 50165 H1 TIP3 5443 42.592 79.916 -10.122 1.00 0.00 WT4 H ATOM 50166 H2 TIP3 5443 41.598 78.897 -10.637 1.00 0.00 WT4 H ATOM 50167 OH2 TIP3 5444 36.785 6.332 46.956 1.00 0.00 WT4 O ATOM 50168 H1 TIP3 5444 37.088 5.758 47.659 1.00 0.00 WT4 H ATOM 50169 H2 TIP3 5444 37.467 7.000 46.879 1.00 0.00 WT4 H ATOM 50170 OH2 TIP3 5446 74.440 84.269 45.368 1.00 0.00 WT4 O ATOM 50171 H1 TIP3 5446 75.135 83.800 44.906 1.00 0.00 WT4 H ATOM 50172 H2 TIP3 5446 74.209 84.992 44.785 1.00 0.00 WT4 H ATOM 50173 OH2 TIP3 5460 69.135 66.574 -7.410 1.00 0.00 WT4 O ATOM 50174 H1 TIP3 5460 68.742 67.046 -8.144 1.00 0.00 WT4 H ATOM 50175 H2 TIP3 5460 68.447 65.980 -7.111 1.00 0.00 WT4 H ATOM 50176 OH2 TIP3 5461 26.127 52.350 40.868 1.00 0.00 WT4 O ATOM 50177 H1 TIP3 5461 26.932 51.832 40.864 1.00 0.00 WT4 H ATOM 50178 H2 TIP3 5461 26.391 53.207 40.536 1.00 0.00 WT4 H ATOM 50179 OH2 TIP3 5462 48.445 59.696 58.446 1.00 0.00 WT4 O ATOM 50180 H1 TIP3 5462 48.882 60.036 57.665 1.00 0.00 WT4 H ATOM 50181 H2 TIP3 5462 47.536 59.569 58.177 1.00 0.00 WT4 H ATOM 50182 OH2 TIP3 5463 89.624 56.352 12.391 1.00 0.00 WT4 O ATOM 50183 H1 TIP3 5463 88.891 55.923 12.832 1.00 0.00 WT4 H ATOM 50184 H2 TIP3 5463 89.560 57.270 12.656 1.00 0.00 WT4 H ATOM 50185 OH2 TIP3 5464 70.523 81.008 9.261 1.00 0.00 WT4 O ATOM 50186 H1 TIP3 5464 69.609 81.232 9.089 1.00 0.00 WT4 H ATOM 50187 H2 TIP3 5464 71.001 81.352 8.507 1.00 0.00 WT4 H ATOM 50188 OH2 TIP3 5466 36.869 7.638 38.037 1.00 0.00 WT4 O ATOM 50189 H1 TIP3 5466 36.438 8.488 37.948 1.00 0.00 WT4 H ATOM 50190 H2 TIP3 5466 36.530 7.120 37.307 1.00 0.00 WT4 H ATOM 50191 OH2 TIP3 5481 27.734 64.142 51.159 1.00 0.00 WT4 O ATOM 50192 H1 TIP3 5481 27.412 64.908 51.635 1.00 0.00 WT4 H ATOM 50193 H2 TIP3 5481 28.607 63.986 51.518 1.00 0.00 WT4 H ATOM 50194 OH2 TIP3 5482 28.063 91.024 46.489 1.00 0.00 WT4 O ATOM 50195 H1 TIP3 5482 28.455 91.885 46.340 1.00 0.00 WT4 H ATOM 50196 H2 TIP3 5482 28.704 90.405 46.137 1.00 0.00 WT4 H ATOM 50197 OH2 TIP3 5484 40.142 55.066 39.276 1.00 0.00 WT4 O ATOM 50198 H1 TIP3 5484 39.975 55.518 40.103 1.00 0.00 WT4 H ATOM 50199 H2 TIP3 5484 40.558 55.726 38.721 1.00 0.00 WT4 H ATOM 50200 OH2 TIP3 5487 73.863 83.710 4.719 1.00 0.00 WT4 O ATOM 50201 H1 TIP3 5487 73.482 84.555 4.481 1.00 0.00 WT4 H ATOM 50202 H2 TIP3 5487 73.209 83.066 4.447 1.00 0.00 WT4 H ATOM 50203 OH2 TIP3 5504 84.683 49.805 -2.570 1.00 0.00 WT4 O ATOM 50204 H1 TIP3 5504 85.425 50.008 -2.001 1.00 0.00 WT4 H ATOM 50205 H2 TIP3 5504 83.960 49.629 -1.968 1.00 0.00 WT4 H ATOM 50206 OH2 TIP3 5526 83.392 81.068 50.623 1.00 0.00 WT4 O ATOM 50207 H1 TIP3 5526 84.005 81.124 51.356 1.00 0.00 WT4 H ATOM 50208 H2 TIP3 5526 83.770 81.636 49.951 1.00 0.00 WT4 H ATOM 50209 OH2 TIP3 5528 74.913 67.860 -18.875 1.00 0.00 WT4 O ATOM 50210 H1 TIP3 5528 74.737 68.686 -19.325 1.00 0.00 WT4 H ATOM 50211 H2 TIP3 5528 74.775 67.188 -19.543 1.00 0.00 WT4 H ATOM 50212 OH2 TIP3 5553 67.405 89.924 66.834 1.00 0.00 WT4 O ATOM 50213 H1 TIP3 5553 67.581 89.391 66.059 1.00 0.00 WT4 H ATOM 50214 H2 TIP3 5553 66.933 90.687 66.498 1.00 0.00 WT4 H ATOM 50215 OH2 TIP3 5650 37.024 60.123 50.129 1.00 0.00 WT4 O ATOM 50216 H1 TIP3 5650 37.012 60.819 49.472 1.00 0.00 WT4 H ATOM 50217 H2 TIP3 5650 37.774 60.330 50.686 1.00 0.00 WT4 H ATOM 50218 OH2 TIP3 5654 73.666 66.009 61.054 1.00 0.00 WT4 O ATOM 50219 H1 TIP3 5654 72.752 65.790 60.874 1.00 0.00 WT4 H ATOM 50220 H2 TIP3 5654 74.168 65.450 60.460 1.00 0.00 WT4 H ATOM 50221 OH2 TIP3 5669 81.259 89.527 -9.751 1.00 0.00 WT4 O ATOM 50222 H1 TIP3 5669 82.084 89.052 -9.857 1.00 0.00 WT4 H ATOM 50223 H2 TIP3 5669 81.205 90.090 -10.523 1.00 0.00 WT4 H ATOM 50224 OH2 TIP3 5676 86.478 34.832 62.530 1.00 0.00 WT4 O ATOM 50225 H1 TIP3 5676 86.456 35.104 61.613 1.00 0.00 WT4 H ATOM 50226 H2 TIP3 5676 86.058 33.972 62.535 1.00 0.00 WT4 H ATOM 50227 OH2 TIP3 5678 77.490 64.804 24.353 1.00 0.00 WT4 O ATOM 50228 H1 TIP3 5678 77.560 65.538 23.743 1.00 0.00 WT4 H ATOM 50229 H2 TIP3 5678 76.784 65.054 24.949 1.00 0.00 WT4 H ATOM 50230 OH2 TIP3 5679 53.947 28.195 42.569 1.00 0.00 WT4 O ATOM 50231 H1 TIP3 5679 54.049 27.636 41.799 1.00 0.00 WT4 H ATOM 50232 H2 TIP3 5679 53.033 28.479 42.539 1.00 0.00 WT4 H ATOM 50233 OH2 TIP3 5690 41.057 89.581 -4.774 1.00 0.00 WT4 O ATOM 50234 H1 TIP3 5690 41.640 88.998 -4.288 1.00 0.00 WT4 H ATOM 50235 H2 TIP3 5690 40.939 90.337 -4.199 1.00 0.00 WT4 H ATOM 50236 OH2 TIP3 5692 84.411 82.873 48.588 1.00 0.00 WT4 O ATOM 50237 H1 TIP3 5692 84.751 83.695 48.944 1.00 0.00 WT4 H ATOM 50238 H2 TIP3 5692 83.528 83.089 48.288 1.00 0.00 WT4 H ATOM 50239 OH2 TIP3 5697 70.757 4.794 4.358 1.00 0.00 WT4 O ATOM 50240 H1 TIP3 5697 69.965 4.259 4.414 1.00 0.00 WT4 H ATOM 50241 H2 TIP3 5697 70.590 5.531 4.946 1.00 0.00 WT4 H ATOM 50242 OH2 TIP3 5710 47.450 73.033 47.788 1.00 0.00 WT4 O ATOM 50243 H1 TIP3 5710 47.297 72.896 46.853 1.00 0.00 WT4 H ATOM 50244 H2 TIP3 5710 48.124 72.393 48.018 1.00 0.00 WT4 H ATOM 50245 OH2 TIP3 5711 39.853 16.184 27.898 1.00 0.00 WT4 O ATOM 50246 H1 TIP3 5711 39.228 15.697 28.436 1.00 0.00 WT4 H ATOM 50247 H2 TIP3 5711 40.712 15.895 28.207 1.00 0.00 WT4 H ATOM 50248 OH2 TIP3 5713 50.254 86.446 -4.879 1.00 0.00 WT4 O ATOM 50249 H1 TIP3 5713 50.139 85.498 -4.934 1.00 0.00 WT4 H ATOM 50250 H2 TIP3 5713 49.681 86.716 -4.162 1.00 0.00 WT4 H ATOM 50251 OH2 TIP3 5714 67.866 4.699 -16.286 1.00 0.00 WT4 O ATOM 50252 H1 TIP3 5714 67.126 5.166 -16.673 1.00 0.00 WT4 H ATOM 50253 H2 TIP3 5714 67.672 4.674 -15.349 1.00 0.00 WT4 H ATOM 50254 OH2 TIP3 5715 85.824 82.946 29.664 1.00 0.00 WT4 O ATOM 50255 H1 TIP3 5715 86.037 82.031 29.479 1.00 0.00 WT4 H ATOM 50256 H2 TIP3 5715 84.960 82.913 30.074 1.00 0.00 WT4 H ATOM 50257 OH2 TIP3 5720 23.103 1.997 -1.568 1.00 0.00 WT4 O ATOM 50258 H1 TIP3 5720 23.726 1.397 -1.157 1.00 0.00 WT4 H ATOM 50259 H2 TIP3 5720 23.044 2.734 -0.961 1.00 0.00 WT4 H ATOM 50260 OH2 TIP3 5734 74.419 28.653 53.524 1.00 0.00 WT4 O ATOM 50261 H1 TIP3 5734 74.337 28.731 52.574 1.00 0.00 WT4 H ATOM 50262 H2 TIP3 5734 74.380 29.555 53.843 1.00 0.00 WT4 H ATOM 50263 OH2 TIP3 5736 35.647 68.241 -10.141 1.00 0.00 WT4 O ATOM 50264 H1 TIP3 5736 35.884 67.317 -10.220 1.00 0.00 WT4 H ATOM 50265 H2 TIP3 5736 35.660 68.412 -9.199 1.00 0.00 WT4 H ATOM 50266 OH2 TIP3 5738 22.157 70.667 -14.921 1.00 0.00 WT4 O ATOM 50267 H1 TIP3 5738 21.817 71.305 -14.294 1.00 0.00 WT4 H ATOM 50268 H2 TIP3 5738 22.082 71.102 -15.771 1.00 0.00 WT4 H ATOM 50269 OH2 TIP3 5755 77.115 56.036 49.965 1.00 0.00 WT4 O ATOM 50270 H1 TIP3 5755 77.632 56.736 49.567 1.00 0.00 WT4 H ATOM 50271 H2 TIP3 5755 76.889 55.459 49.235 1.00 0.00 WT4 H ATOM 50272 OH2 TIP3 5756 39.982 89.089 34.448 1.00 0.00 WT4 O ATOM 50273 H1 TIP3 5756 39.578 88.550 35.128 1.00 0.00 WT4 H ATOM 50274 H2 TIP3 5756 39.842 89.990 34.741 1.00 0.00 WT4 H ATOM 50275 OH2 TIP3 5758 53.497 63.962 -17.578 1.00 0.00 WT4 O ATOM 50276 H1 TIP3 5758 52.618 63.583 -17.593 1.00 0.00 WT4 H ATOM 50277 H2 TIP3 5758 54.035 63.337 -18.064 1.00 0.00 WT4 H ATOM 50278 OH2 TIP3 5762 49.990 44.483 22.277 1.00 0.00 WT4 O ATOM 50279 H1 TIP3 5762 50.881 44.240 22.027 1.00 0.00 WT4 H ATOM 50280 H2 TIP3 5762 49.567 44.725 21.453 1.00 0.00 WT4 H ATOM 50281 OH2 TIP3 5764 65.807 8.758 -12.500 1.00 0.00 WT4 O ATOM 50282 H1 TIP3 5764 66.678 8.945 -12.151 1.00 0.00 WT4 H ATOM 50283 H2 TIP3 5764 65.252 8.666 -11.725 1.00 0.00 WT4 H ATOM 50284 OH2 TIP3 5767 73.347 74.826 9.392 1.00 0.00 WT4 O ATOM 50285 H1 TIP3 5767 72.907 74.004 9.607 1.00 0.00 WT4 H ATOM 50286 H2 TIP3 5767 74.184 74.559 9.013 1.00 0.00 WT4 H ATOM 50287 OH2 TIP3 5768 24.803 37.351 -2.194 1.00 0.00 WT4 O ATOM 50288 H1 TIP3 5768 25.320 38.156 -2.171 1.00 0.00 WT4 H ATOM 50289 H2 TIP3 5768 25.129 36.835 -1.457 1.00 0.00 WT4 H ATOM 50290 OH2 TIP3 5777 71.117 50.351 54.620 1.00 0.00 WT4 O ATOM 50291 H1 TIP3 5777 71.731 50.707 55.263 1.00 0.00 WT4 H ATOM 50292 H2 TIP3 5777 70.720 51.122 54.215 1.00 0.00 WT4 H ATOM 50293 OH2 TIP3 5778 25.598 76.075 41.082 1.00 0.00 WT4 O ATOM 50294 H1 TIP3 5778 25.634 76.064 42.039 1.00 0.00 WT4 H ATOM 50295 H2 TIP3 5778 26.459 76.393 40.813 1.00 0.00 WT4 H ATOM 50296 OH2 TIP3 5779 74.016 74.038 4.956 1.00 0.00 WT4 O ATOM 50297 H1 TIP3 5779 73.126 74.205 4.648 1.00 0.00 WT4 H ATOM 50298 H2 TIP3 5779 74.532 74.763 4.603 1.00 0.00 WT4 H ATOM 50299 OH2 TIP3 5780 37.432 33.011 5.006 1.00 0.00 WT4 O ATOM 50300 H1 TIP3 5780 36.771 32.344 5.191 1.00 0.00 WT4 H ATOM 50301 H2 TIP3 5780 37.747 33.282 5.868 1.00 0.00 WT4 H ATOM 50302 OH2 TIP3 5795 44.945 63.273 62.526 1.00 0.00 WT4 O ATOM 50303 H1 TIP3 5795 44.912 62.587 61.859 1.00 0.00 WT4 H ATOM 50304 H2 TIP3 5795 44.218 63.071 63.115 1.00 0.00 WT4 H ATOM 50305 OH2 TIP3 5797 72.837 77.445 34.234 1.00 0.00 WT4 O ATOM 50306 H1 TIP3 5797 73.695 77.205 34.585 1.00 0.00 WT4 H ATOM 50307 H2 TIP3 5797 72.329 76.635 34.268 1.00 0.00 WT4 H ATOM 50308 OH2 TIP3 5798 87.443 84.593 21.839 1.00 0.00 WT4 O ATOM 50309 H1 TIP3 5798 88.132 85.208 22.087 1.00 0.00 WT4 H ATOM 50310 H2 TIP3 5798 87.576 84.447 20.903 1.00 0.00 WT4 H ATOM 50311 OH2 TIP3 5799 75.107 4.512 7.372 1.00 0.00 WT4 O ATOM 50312 H1 TIP3 5799 75.832 4.024 7.763 1.00 0.00 WT4 H ATOM 50313 H2 TIP3 5799 74.824 3.970 6.635 1.00 0.00 WT4 H ATOM 50314 OH2 TIP3 5800 87.485 51.367 51.876 1.00 0.00 WT4 O ATOM 50315 H1 TIP3 5800 87.312 50.942 51.036 1.00 0.00 WT4 H ATOM 50316 H2 TIP3 5800 88.345 51.774 51.767 1.00 0.00 WT4 H ATOM 50317 OH2 TIP3 5801 88.282 69.892 -5.043 1.00 0.00 WT4 O ATOM 50318 H1 TIP3 5801 87.677 69.150 -5.072 1.00 0.00 WT4 H ATOM 50319 H2 TIP3 5801 87.800 70.611 -5.450 1.00 0.00 WT4 H ATOM 50320 OH2 TIP3 5802 81.194 65.044 57.533 1.00 0.00 WT4 O ATOM 50321 H1 TIP3 5802 81.478 64.183 57.841 1.00 0.00 WT4 H ATOM 50322 H2 TIP3 5802 81.853 65.297 56.887 1.00 0.00 WT4 H ATOM 50323 OH2 TIP3 5818 27.143 9.034 5.997 1.00 0.00 WT4 O ATOM 50324 H1 TIP3 5818 28.012 8.813 5.664 1.00 0.00 WT4 H ATOM 50325 H2 TIP3 5818 26.789 9.649 5.355 1.00 0.00 WT4 H ATOM 50326 OH2 TIP3 5819 81.493 4.519 50.184 1.00 0.00 WT4 O ATOM 50327 H1 TIP3 5819 81.911 5.165 50.754 1.00 0.00 WT4 H ATOM 50328 H2 TIP3 5819 81.064 3.911 50.785 1.00 0.00 WT4 H ATOM 50329 OH2 TIP3 5820 55.540 90.532 58.754 1.00 0.00 WT4 O ATOM 50330 H1 TIP3 5820 55.978 91.383 58.753 1.00 0.00 WT4 H ATOM 50331 H2 TIP3 5820 54.637 90.727 59.004 1.00 0.00 WT4 H ATOM 50332 OH2 TIP3 5821 88.125 87.177 28.947 1.00 0.00 WT4 O ATOM 50333 H1 TIP3 5821 87.537 86.927 28.234 1.00 0.00 WT4 H ATOM 50334 H2 TIP3 5821 88.857 87.614 28.512 1.00 0.00 WT4 H ATOM 50335 OH2 TIP3 5823 84.642 73.569 52.402 1.00 0.00 WT4 O ATOM 50336 H1 TIP3 5823 83.956 73.479 51.740 1.00 0.00 WT4 H ATOM 50337 H2 TIP3 5823 84.168 73.731 53.218 1.00 0.00 WT4 H ATOM 50338 OH2 TIP3 5828 51.126 75.915 -1.694 1.00 0.00 WT4 O ATOM 50339 H1 TIP3 5828 51.533 75.048 -1.711 1.00 0.00 WT4 H ATOM 50340 H2 TIP3 5828 50.632 75.932 -0.875 1.00 0.00 WT4 H ATOM 50341 OH2 TIP3 5836 30.583 4.858 59.857 1.00 0.00 WT4 O ATOM 50342 H1 TIP3 5836 31.011 5.470 59.258 1.00 0.00 WT4 H ATOM 50343 H2 TIP3 5836 31.288 4.282 60.154 1.00 0.00 WT4 H ATOM 50344 OH2 TIP3 5837 54.631 94.210 55.065 1.00 0.00 WT4 O ATOM 50345 H1 TIP3 5837 54.342 94.572 54.227 1.00 0.00 WT4 H ATOM 50346 H2 TIP3 5837 55.357 93.630 54.839 1.00 0.00 WT4 H ATOM 50347 OH2 TIP3 5839 89.756 15.525 53.308 1.00 0.00 WT4 O ATOM 50348 H1 TIP3 5839 89.584 15.775 52.400 1.00 0.00 WT4 H ATOM 50349 H2 TIP3 5839 88.935 15.705 53.766 1.00 0.00 WT4 H ATOM 50350 OH2 TIP3 5840 30.533 93.207 48.678 1.00 0.00 WT4 O ATOM 50351 H1 TIP3 5840 31.143 93.322 47.950 1.00 0.00 WT4 H ATOM 50352 H2 TIP3 5840 30.420 92.260 48.750 1.00 0.00 WT4 H ATOM 50353 OH2 TIP3 5841 87.600 96.110 -12.743 1.00 0.00 WT4 O ATOM 50354 H1 TIP3 5841 87.566 96.167 -11.788 1.00 0.00 WT4 H ATOM 50355 H2 TIP3 5841 87.177 95.276 -12.949 1.00 0.00 WT4 H ATOM 50356 OH2 TIP3 5843 83.223 94.660 54.689 1.00 0.00 WT4 O ATOM 50357 H1 TIP3 5843 84.022 94.226 54.392 1.00 0.00 WT4 H ATOM 50358 H2 TIP3 5843 82.762 94.892 53.883 1.00 0.00 WT4 H ATOM 50359 OH2 TIP3 5844 87.882 13.497 50.910 1.00 0.00 WT4 O ATOM 50360 H1 TIP3 5844 88.506 13.333 50.203 1.00 0.00 WT4 H ATOM 50361 H2 TIP3 5844 87.521 14.362 50.716 1.00 0.00 WT4 H ATOM 50362 OH2 TIP3 5846 49.644 71.368 34.042 1.00 0.00 WT4 O ATOM 50363 H1 TIP3 5846 50.544 71.691 34.082 1.00 0.00 WT4 H ATOM 50364 H2 TIP3 5846 49.700 70.566 33.522 1.00 0.00 WT4 H ATOM 50365 OH2 TIP3 5859 57.225 49.377 53.898 1.00 0.00 WT4 O ATOM 50366 H1 TIP3 5859 56.289 49.493 53.730 1.00 0.00 WT4 H ATOM 50367 H2 TIP3 5859 57.652 50.017 53.327 1.00 0.00 WT4 H ATOM 50368 OH2 TIP3 5860 44.810 78.249 1.249 1.00 0.00 WT4 O ATOM 50369 H1 TIP3 5860 45.748 78.063 1.284 1.00 0.00 WT4 H ATOM 50370 H2 TIP3 5860 44.451 77.570 0.677 1.00 0.00 WT4 H ATOM 50371 OH2 TIP3 5861 58.537 85.943 51.660 1.00 0.00 WT4 O ATOM 50372 H1 TIP3 5861 59.094 85.338 52.151 1.00 0.00 WT4 H ATOM 50373 H2 TIP3 5861 58.129 85.400 50.987 1.00 0.00 WT4 H ATOM 50374 OH2 TIP3 5862 27.426 34.637 21.689 1.00 0.00 WT4 O ATOM 50375 H1 TIP3 5862 26.855 34.698 20.923 1.00 0.00 WT4 H ATOM 50376 H2 TIP3 5862 28.246 35.045 21.411 1.00 0.00 WT4 H ATOM 50377 OH2 TIP3 5863 55.991 93.420 -7.073 1.00 0.00 WT4 O ATOM 50378 H1 TIP3 5863 55.952 92.464 -7.113 1.00 0.00 WT4 H ATOM 50379 H2 TIP3 5863 56.613 93.664 -7.757 1.00 0.00 WT4 H ATOM 50380 OH2 TIP3 5865 73.988 51.287 -17.580 1.00 0.00 WT4 O ATOM 50381 H1 TIP3 5865 73.310 50.652 -17.350 1.00 0.00 WT4 H ATOM 50382 H2 TIP3 5865 73.505 52.066 -17.856 1.00 0.00 WT4 H ATOM 50383 OH2 TIP3 5866 67.637 80.299 12.882 1.00 0.00 WT4 O ATOM 50384 H1 TIP3 5866 67.030 79.761 12.373 1.00 0.00 WT4 H ATOM 50385 H2 TIP3 5866 67.565 79.962 13.775 1.00 0.00 WT4 H ATOM 50386 OH2 TIP3 5869 43.890 70.270 27.100 1.00 0.00 WT4 O ATOM 50387 H1 TIP3 5869 44.803 69.987 27.043 1.00 0.00 WT4 H ATOM 50388 H2 TIP3 5869 43.778 70.532 28.014 1.00 0.00 WT4 H ATOM 50389 OH2 TIP3 5881 28.932 34.596 24.582 1.00 0.00 WT4 O ATOM 50390 H1 TIP3 5881 28.414 34.552 23.779 1.00 0.00 WT4 H ATOM 50391 H2 TIP3 5881 29.729 34.106 24.381 1.00 0.00 WT4 H ATOM 50392 OH2 TIP3 5883 31.955 41.060 60.854 1.00 0.00 WT4 O ATOM 50393 H1 TIP3 5883 32.624 41.153 60.176 1.00 0.00 WT4 H ATOM 50394 H2 TIP3 5883 32.441 40.799 61.636 1.00 0.00 WT4 H ATOM 50395 OH2 TIP3 5884 21.196 0.953 46.718 1.00 0.00 WT4 O ATOM 50396 H1 TIP3 5884 21.250 0.548 47.584 1.00 0.00 WT4 H ATOM 50397 H2 TIP3 5884 20.707 0.323 46.189 1.00 0.00 WT4 H ATOM 50398 OH2 TIP3 5886 46.873 51.463 -7.749 1.00 0.00 WT4 O ATOM 50399 H1 TIP3 5886 47.498 51.762 -8.410 1.00 0.00 WT4 H ATOM 50400 H2 TIP3 5886 47.234 51.775 -6.919 1.00 0.00 WT4 H ATOM 50401 OH2 TIP3 5887 56.092 10.676 10.454 1.00 0.00 WT4 O ATOM 50402 H1 TIP3 5887 55.220 10.538 10.084 1.00 0.00 WT4 H ATOM 50403 H2 TIP3 5887 55.996 10.462 11.382 1.00 0.00 WT4 H ATOM 50404 OH2 TIP3 5889 62.612 13.065 32.549 1.00 0.00 WT4 O ATOM 50405 H1 TIP3 5889 63.065 12.604 31.843 1.00 0.00 WT4 H ATOM 50406 H2 TIP3 5889 61.718 12.724 32.525 1.00 0.00 WT4 H ATOM 50407 OH2 TIP3 5899 30.444 14.771 52.010 1.00 0.00 WT4 O ATOM 50408 H1 TIP3 5899 29.760 14.103 52.014 1.00 0.00 WT4 H ATOM 50409 H2 TIP3 5899 30.086 15.478 51.473 1.00 0.00 WT4 H ATOM 50410 OH2 TIP3 5901 49.567 61.294 7.573 1.00 0.00 WT4 O ATOM 50411 H1 TIP3 5901 50.501 61.220 7.377 1.00 0.00 WT4 H ATOM 50412 H2 TIP3 5901 49.535 61.731 8.424 1.00 0.00 WT4 H ATOM 50413 OH2 TIP3 5903 80.085 94.383 33.341 1.00 0.00 WT4 O ATOM 50414 H1 TIP3 5903 79.547 94.295 34.128 1.00 0.00 WT4 H ATOM 50415 H2 TIP3 5903 80.319 95.311 33.313 1.00 0.00 WT4 H ATOM 50416 OH2 TIP3 5905 82.791 5.558 -9.311 1.00 0.00 WT4 O ATOM 50417 H1 TIP3 5905 82.225 4.878 -8.945 1.00 0.00 WT4 H ATOM 50418 H2 TIP3 5905 83.456 5.076 -9.803 1.00 0.00 WT4 H ATOM 50419 OH2 TIP3 5906 35.728 86.731 54.181 1.00 0.00 WT4 O ATOM 50420 H1 TIP3 5906 35.894 85.862 54.546 1.00 0.00 WT4 H ATOM 50421 H2 TIP3 5906 34.907 87.010 54.587 1.00 0.00 WT4 H ATOM 50422 OH2 TIP3 5909 40.927 39.814 46.530 1.00 0.00 WT4 O ATOM 50423 H1 TIP3 5909 40.291 40.221 45.941 1.00 0.00 WT4 H ATOM 50424 H2 TIP3 5909 41.153 38.987 46.104 1.00 0.00 WT4 H ATOM 50425 OH2 TIP3 5911 75.917 30.108 -16.323 1.00 0.00 WT4 O ATOM 50426 H1 TIP3 5911 76.067 31.028 -16.107 1.00 0.00 WT4 H ATOM 50427 H2 TIP3 5911 75.759 30.106 -17.267 1.00 0.00 WT4 H ATOM 50428 OH2 TIP3 5920 87.221 87.223 -3.803 1.00 0.00 WT4 O ATOM 50429 H1 TIP3 5920 87.539 86.969 -2.936 1.00 0.00 WT4 H ATOM 50430 H2 TIP3 5920 86.372 87.633 -3.637 1.00 0.00 WT4 H ATOM 50431 OH2 TIP3 5926 85.395 87.060 44.664 1.00 0.00 WT4 O ATOM 50432 H1 TIP3 5926 85.422 86.125 44.868 1.00 0.00 WT4 H ATOM 50433 H2 TIP3 5926 85.054 87.101 43.770 1.00 0.00 WT4 H ATOM 50434 OH2 TIP3 5945 55.694 5.840 56.228 1.00 0.00 WT4 O ATOM 50435 H1 TIP3 5945 55.895 5.789 55.293 1.00 0.00 WT4 H ATOM 50436 H2 TIP3 5945 55.483 4.940 56.477 1.00 0.00 WT4 H ATOM 50437 OH2 TIP3 5947 32.893 71.798 24.816 1.00 0.00 WT4 O ATOM 50438 H1 TIP3 5947 33.225 71.064 24.300 1.00 0.00 WT4 H ATOM 50439 H2 TIP3 5947 32.079 72.050 24.381 1.00 0.00 WT4 H ATOM 50440 OH2 TIP3 5948 88.823 64.509 60.637 1.00 0.00 WT4 O ATOM 50441 H1 TIP3 5948 88.969 65.152 59.944 1.00 0.00 WT4 H ATOM 50442 H2 TIP3 5948 87.994 64.091 60.406 1.00 0.00 WT4 H ATOM 50443 OH2 TIP3 5949 53.708 29.440 47.440 1.00 0.00 WT4 O ATOM 50444 H1 TIP3 5949 53.019 29.441 46.775 1.00 0.00 WT4 H ATOM 50445 H2 TIP3 5949 54.346 28.800 47.123 1.00 0.00 WT4 H ATOM 50446 OH2 TIP3 5964 30.806 1.212 61.254 1.00 0.00 WT4 O ATOM 50447 H1 TIP3 5964 31.115 1.022 60.369 1.00 0.00 WT4 H ATOM 50448 H2 TIP3 5964 31.295 1.991 61.517 1.00 0.00 WT4 H ATOM 50449 OH2 TIP3 5965 72.017 48.448 49.524 1.00 0.00 WT4 O ATOM 50450 H1 TIP3 5965 71.469 48.659 50.279 1.00 0.00 WT4 H ATOM 50451 H2 TIP3 5965 72.284 47.540 49.667 1.00 0.00 WT4 H ATOM 50452 OH2 TIP3 5994 79.291 49.512 25.958 1.00 0.00 WT4 O ATOM 50453 H1 TIP3 5994 78.546 49.602 25.364 1.00 0.00 WT4 H ATOM 50454 H2 TIP3 5994 79.004 49.931 26.769 1.00 0.00 WT4 H ATOM 50455 OH2 TIP3 6019 78.296 8.620 -9.015 1.00 0.00 WT4 O ATOM 50456 H1 TIP3 6019 78.781 7.848 -8.723 1.00 0.00 WT4 H ATOM 50457 H2 TIP3 6019 78.762 9.358 -8.623 1.00 0.00 WT4 H ATOM 50458 OH2 TIP3 6090 67.434 70.469 58.767 1.00 0.00 WT4 O ATOM 50459 H1 TIP3 6090 68.106 71.080 59.068 1.00 0.00 WT4 H ATOM 50460 H2 TIP3 6090 67.165 70.809 57.914 1.00 0.00 WT4 H ATOM 50461 OH2 TIP3 6091 80.813 61.403 -11.893 1.00 0.00 WT4 O ATOM 50462 H1 TIP3 6091 80.856 61.960 -12.670 1.00 0.00 WT4 H ATOM 50463 H2 TIP3 6091 79.955 61.590 -11.511 1.00 0.00 WT4 H ATOM 50464 OH2 TIP3 6110 33.276 67.156 9.508 1.00 0.00 WT4 O ATOM 50465 H1 TIP3 6110 32.809 67.359 8.698 1.00 0.00 WT4 H ATOM 50466 H2 TIP3 6110 34.186 67.388 9.326 1.00 0.00 WT4 H ATOM 50467 OH2 TIP3 6134 48.746 20.271 64.390 1.00 0.00 WT4 O ATOM 50468 H1 TIP3 6134 49.698 20.363 64.401 1.00 0.00 WT4 H ATOM 50469 H2 TIP3 6134 48.543 19.973 63.503 1.00 0.00 WT4 H ATOM 50470 OH2 TIP3 6136 77.144 70.567 13.588 1.00 0.00 WT4 O ATOM 50471 H1 TIP3 6136 76.721 69.717 13.466 1.00 0.00 WT4 H ATOM 50472 H2 TIP3 6136 78.005 70.357 13.949 1.00 0.00 WT4 H ATOM 50473 OH2 TIP3 6138 56.774 48.733 2.633 1.00 0.00 WT4 O ATOM 50474 H1 TIP3 6138 57.530 48.761 3.219 1.00 0.00 WT4 H ATOM 50475 H2 TIP3 6138 56.234 49.476 2.902 1.00 0.00 WT4 H ATOM 50476 OH2 TIP3 6174 70.953 57.627 58.962 1.00 0.00 WT4 O ATOM 50477 H1 TIP3 6174 70.795 57.674 59.905 1.00 0.00 WT4 H ATOM 50478 H2 TIP3 6174 70.104 57.389 58.588 1.00 0.00 WT4 H ATOM 50479 OH2 TIP3 6176 77.936 14.775 -19.061 1.00 0.00 WT4 O ATOM 50480 H1 TIP3 6176 77.050 14.666 -18.714 1.00 0.00 WT4 H ATOM 50481 H2 TIP3 6176 77.851 14.591 -19.997 1.00 0.00 WT4 H ATOM 50482 OH2 TIP3 6177 50.177 65.633 55.522 1.00 0.00 WT4 O ATOM 50483 H1 TIP3 6177 50.754 65.289 56.204 1.00 0.00 WT4 H ATOM 50484 H2 TIP3 6177 49.382 65.104 55.590 1.00 0.00 WT4 H ATOM 50485 OH2 TIP3 6178 67.156 1.169 1.655 1.00 0.00 WT4 O ATOM 50486 H1 TIP3 6178 67.662 1.909 1.991 1.00 0.00 WT4 H ATOM 50487 H2 TIP3 6178 66.823 1.470 0.810 1.00 0.00 WT4 H ATOM 50488 OH2 TIP3 6179 58.394 61.321 26.392 1.00 0.00 WT4 O ATOM 50489 H1 TIP3 6179 57.470 61.072 26.422 1.00 0.00 WT4 H ATOM 50490 H2 TIP3 6179 58.823 60.596 25.936 1.00 0.00 WT4 H ATOM 50491 OH2 TIP3 6181 33.777 95.427 51.608 1.00 0.00 WT4 O ATOM 50492 H1 TIP3 6181 33.825 95.102 52.507 1.00 0.00 WT4 H ATOM 50493 H2 TIP3 6181 33.692 96.376 51.700 1.00 0.00 WT4 H ATOM 50494 OH2 TIP3 6183 75.094 79.744 -10.207 1.00 0.00 WT4 O ATOM 50495 H1 TIP3 6183 75.946 80.158 -10.072 1.00 0.00 WT4 H ATOM 50496 H2 TIP3 6183 74.530 80.129 -9.536 1.00 0.00 WT4 H ATOM 50497 OH2 TIP3 6195 61.492 95.636 56.357 1.00 0.00 WT4 O ATOM 50498 H1 TIP3 6195 61.129 96.332 56.904 1.00 0.00 WT4 H ATOM 50499 H2 TIP3 6195 60.982 95.675 55.548 1.00 0.00 WT4 H ATOM 50500 OH2 TIP3 6198 45.795 92.048 45.630 1.00 0.00 WT4 O ATOM 50501 H1 TIP3 6198 46.466 92.156 44.956 1.00 0.00 WT4 H ATOM 50502 H2 TIP3 6198 46.250 92.231 46.452 1.00 0.00 WT4 H ATOM 50503 OH2 TIP3 6200 69.250 63.283 21.062 1.00 0.00 WT4 O ATOM 50504 H1 TIP3 6200 69.858 63.368 20.328 1.00 0.00 WT4 H ATOM 50505 H2 TIP3 6200 68.426 63.007 20.660 1.00 0.00 WT4 H ATOM 50506 OH2 TIP3 6215 71.634 54.903 21.630 1.00 0.00 WT4 O ATOM 50507 H1 TIP3 6215 71.169 54.311 22.221 1.00 0.00 WT4 H ATOM 50508 H2 TIP3 6215 70.980 55.157 20.980 1.00 0.00 WT4 H ATOM 50509 OH2 TIP3 6216 50.810 81.787 64.431 1.00 0.00 WT4 O ATOM 50510 H1 TIP3 6216 50.333 81.650 65.249 1.00 0.00 WT4 H ATOM 50511 H2 TIP3 6216 51.633 82.197 64.699 1.00 0.00 WT4 H ATOM 50512 OH2 TIP3 6218 84.167 51.409 17.933 1.00 0.00 WT4 O ATOM 50513 H1 TIP3 6218 84.015 50.555 17.528 1.00 0.00 WT4 H ATOM 50514 H2 TIP3 6218 83.651 52.019 17.407 1.00 0.00 WT4 H ATOM 50515 OH2 TIP3 6219 32.864 58.826 -15.061 1.00 0.00 WT4 O ATOM 50516 H1 TIP3 6219 32.975 58.241 -14.312 1.00 0.00 WT4 H ATOM 50517 H2 TIP3 6219 33.703 59.280 -15.138 1.00 0.00 WT4 H ATOM 50518 OH2 TIP3 6220 79.745 1.195 31.290 1.00 0.00 WT4 O ATOM 50519 H1 TIP3 6220 79.352 1.793 31.926 1.00 0.00 WT4 H ATOM 50520 H2 TIP3 6220 79.057 0.557 31.103 1.00 0.00 WT4 H ATOM 50521 OH2 TIP3 6221 53.780 36.138 48.661 1.00 0.00 WT4 O ATOM 50522 H1 TIP3 6221 54.344 36.534 47.997 1.00 0.00 WT4 H ATOM 50523 H2 TIP3 6221 52.966 36.639 48.615 1.00 0.00 WT4 H ATOM 50524 OH2 TIP3 6225 21.044 49.600 -0.933 1.00 0.00 WT4 O ATOM 50525 H1 TIP3 6225 21.239 49.463 -1.860 1.00 0.00 WT4 H ATOM 50526 H2 TIP3 6225 20.311 50.217 -0.931 1.00 0.00 WT4 H ATOM 50527 OH2 TIP3 6238 55.552 84.650 6.991 1.00 0.00 WT4 O ATOM 50528 H1 TIP3 6238 56.124 85.097 7.616 1.00 0.00 WT4 H ATOM 50529 H2 TIP3 6238 55.677 83.719 7.174 1.00 0.00 WT4 H ATOM 50530 OH2 TIP3 6240 36.898 73.414 -14.157 1.00 0.00 WT4 O ATOM 50531 H1 TIP3 6240 36.300 73.180 -14.866 1.00 0.00 WT4 H ATOM 50532 H2 TIP3 6240 37.207 72.574 -13.816 1.00 0.00 WT4 H ATOM 50533 OH2 TIP3 6241 37.432 78.923 40.568 1.00 0.00 WT4 O ATOM 50534 H1 TIP3 6241 38.048 78.929 39.835 1.00 0.00 WT4 H ATOM 50535 H2 TIP3 6241 37.907 78.489 41.277 1.00 0.00 WT4 H ATOM 50536 OH2 TIP3 6242 54.588 18.479 38.769 1.00 0.00 WT4 O ATOM 50537 H1 TIP3 6242 53.712 18.700 39.084 1.00 0.00 WT4 H ATOM 50538 H2 TIP3 6242 54.547 18.626 37.824 1.00 0.00 WT4 H ATOM 50539 OH2 TIP3 6243 53.954 14.386 22.878 1.00 0.00 WT4 O ATOM 50540 H1 TIP3 6243 53.237 14.958 23.150 1.00 0.00 WT4 H ATOM 50541 H2 TIP3 6243 53.590 13.869 22.159 1.00 0.00 WT4 H ATOM 50542 OH2 TIP3 6245 45.957 2.452 47.879 1.00 0.00 WT4 O ATOM 50543 H1 TIP3 6245 45.273 3.030 47.542 1.00 0.00 WT4 H ATOM 50544 H2 TIP3 6245 45.550 2.005 48.621 1.00 0.00 WT4 H ATOM 50545 OH2 TIP3 6246 51.412 9.343 57.888 1.00 0.00 WT4 O ATOM 50546 H1 TIP3 6246 51.418 9.055 58.801 1.00 0.00 WT4 H ATOM 50547 H2 TIP3 6246 52.219 8.984 57.518 1.00 0.00 WT4 H ATOM 50548 OH2 TIP3 6258 73.348 82.797 -18.767 1.00 0.00 WT4 O ATOM 50549 H1 TIP3 6258 74.125 83.157 -18.339 1.00 0.00 WT4 H ATOM 50550 H2 TIP3 6258 73.450 83.036 -19.689 1.00 0.00 WT4 H ATOM 50551 OH2 TIP3 6259 65.113 25.048 44.202 1.00 0.00 WT4 O ATOM 50552 H1 TIP3 6259 64.420 25.679 44.394 1.00 0.00 WT4 H ATOM 50553 H2 TIP3 6259 64.814 24.595 43.414 1.00 0.00 WT4 H ATOM 50554 OH2 TIP3 6261 50.377 5.082 1.623 1.00 0.00 WT4 O ATOM 50555 H1 TIP3 6261 50.270 5.943 1.218 1.00 0.00 WT4 H ATOM 50556 H2 TIP3 6261 49.791 4.510 1.129 1.00 0.00 WT4 H ATOM 50557 OH2 TIP3 6263 26.489 16.136 32.412 1.00 0.00 WT4 O ATOM 50558 H1 TIP3 6263 25.625 15.785 32.624 1.00 0.00 WT4 H ATOM 50559 H2 TIP3 6263 26.754 15.662 31.624 1.00 0.00 WT4 H ATOM 50560 OH2 TIP3 6264 51.319 11.801 31.416 1.00 0.00 WT4 O ATOM 50561 H1 TIP3 6264 52.058 12.408 31.428 1.00 0.00 WT4 H ATOM 50562 H2 TIP3 6264 51.512 11.201 30.695 1.00 0.00 WT4 H ATOM 50563 OH2 TIP3 6269 59.516 79.511 57.115 1.00 0.00 WT4 O ATOM 50564 H1 TIP3 6269 58.634 79.798 56.881 1.00 0.00 WT4 H ATOM 50565 H2 TIP3 6269 59.521 79.504 58.072 1.00 0.00 WT4 H ATOM 50566 OH2 TIP3 6281 67.093 65.887 19.758 1.00 0.00 WT4 O ATOM 50567 H1 TIP3 6281 67.127 65.553 18.862 1.00 0.00 WT4 H ATOM 50568 H2 TIP3 6281 66.297 65.505 20.127 1.00 0.00 WT4 H ATOM 50569 OH2 TIP3 6283 70.146 5.534 53.573 1.00 0.00 WT4 O ATOM 50570 H1 TIP3 6283 70.255 4.599 53.399 1.00 0.00 WT4 H ATOM 50571 H2 TIP3 6283 70.323 5.626 54.509 1.00 0.00 WT4 H ATOM 50572 OH2 TIP3 6284 27.357 95.937 58.773 1.00 0.00 WT4 O ATOM 50573 H1 TIP3 6284 26.738 96.509 58.320 1.00 0.00 WT4 H ATOM 50574 H2 TIP3 6284 27.464 96.334 59.637 1.00 0.00 WT4 H ATOM 50575 OH2 TIP3 6285 34.510 60.874 66.470 1.00 0.00 WT4 O ATOM 50576 H1 TIP3 6285 34.761 60.061 66.909 1.00 0.00 WT4 H ATOM 50577 H2 TIP3 6285 34.123 61.411 67.162 1.00 0.00 WT4 H ATOM 50578 OH2 TIP3 6286 85.528 21.984 57.107 1.00 0.00 WT4 O ATOM 50579 H1 TIP3 6286 84.956 21.591 56.447 1.00 0.00 WT4 H ATOM 50580 H2 TIP3 6286 85.476 21.389 57.855 1.00 0.00 WT4 H ATOM 50581 OH2 TIP3 6288 32.502 63.683 1.749 1.00 0.00 WT4 O ATOM 50582 H1 TIP3 6288 32.684 63.866 2.670 1.00 0.00 WT4 H ATOM 50583 H2 TIP3 6288 32.882 62.817 1.596 1.00 0.00 WT4 H ATOM 50584 OH2 TIP3 6297 54.257 84.975 41.641 1.00 0.00 WT4 O ATOM 50585 H1 TIP3 6297 54.882 84.504 41.091 1.00 0.00 WT4 H ATOM 50586 H2 TIP3 6297 53.456 84.452 41.596 1.00 0.00 WT4 H ATOM 50587 OH2 TIP3 6300 77.749 81.951 36.231 1.00 0.00 WT4 O ATOM 50588 H1 TIP3 6300 77.937 82.467 35.447 1.00 0.00 WT4 H ATOM 50589 H2 TIP3 6300 77.645 82.600 36.927 1.00 0.00 WT4 H ATOM 50590 OH2 TIP3 6303 51.736 62.407 49.839 1.00 0.00 WT4 O ATOM 50591 H1 TIP3 6303 51.603 62.037 48.966 1.00 0.00 WT4 H ATOM 50592 H2 TIP3 6303 51.363 63.287 49.785 1.00 0.00 WT4 H ATOM 50593 OH2 TIP3 6305 54.516 12.960 34.960 1.00 0.00 WT4 O ATOM 50594 H1 TIP3 6305 54.918 12.398 35.623 1.00 0.00 WT4 H ATOM 50595 H2 TIP3 6305 54.746 13.849 35.228 1.00 0.00 WT4 H ATOM 50596 OH2 TIP3 6309 77.272 10.128 3.341 1.00 0.00 WT4 O ATOM 50597 H1 TIP3 6309 76.369 10.435 3.263 1.00 0.00 WT4 H ATOM 50598 H2 TIP3 6309 77.620 10.595 4.101 1.00 0.00 WT4 H ATOM 50599 OH2 TIP3 6311 86.125 9.931 47.707 1.00 0.00 WT4 O ATOM 50600 H1 TIP3 6311 85.251 10.009 48.088 1.00 0.00 WT4 H ATOM 50601 H2 TIP3 6311 86.549 10.766 47.904 1.00 0.00 WT4 H ATOM 50602 OH2 TIP3 6319 87.854 56.509 34.686 1.00 0.00 WT4 O ATOM 50603 H1 TIP3 6319 88.357 56.797 35.448 1.00 0.00 WT4 H ATOM 50604 H2 TIP3 6319 87.436 57.306 34.360 1.00 0.00 WT4 H ATOM 50605 OH2 TIP3 6321 56.752 13.587 -10.598 1.00 0.00 WT4 O ATOM 50606 H1 TIP3 6321 56.295 14.000 -9.866 1.00 0.00 WT4 H ATOM 50607 H2 TIP3 6321 57.337 12.950 -10.187 1.00 0.00 WT4 H ATOM 50608 OH2 TIP3 6322 69.145 0.459 -13.141 1.00 0.00 WT4 O ATOM 50609 H1 TIP3 6322 69.073 -0.490 -13.032 1.00 0.00 WT4 H ATOM 50610 H2 TIP3 6322 70.063 0.653 -12.953 1.00 0.00 WT4 H ATOM 50611 OH2 TIP3 6323 55.742 18.227 -5.945 1.00 0.00 WT4 O ATOM 50612 H1 TIP3 6323 56.688 18.364 -5.992 1.00 0.00 WT4 H ATOM 50613 H2 TIP3 6323 55.628 17.578 -5.251 1.00 0.00 WT4 H ATOM 50614 OH2 TIP3 6325 32.058 55.297 36.627 1.00 0.00 WT4 O ATOM 50615 H1 TIP3 6325 32.335 55.813 35.870 1.00 0.00 WT4 H ATOM 50616 H2 TIP3 6325 31.304 54.798 36.315 1.00 0.00 WT4 H ATOM 50617 OH2 TIP3 6328 76.290 74.707 3.659 1.00 0.00 WT4 O ATOM 50618 H1 TIP3 6328 76.697 74.041 4.213 1.00 0.00 WT4 H ATOM 50619 H2 TIP3 6328 77.025 75.159 3.247 1.00 0.00 WT4 H ATOM 50620 OH2 TIP3 6329 73.495 24.807 -13.432 1.00 0.00 WT4 O ATOM 50621 H1 TIP3 6329 74.289 25.307 -13.623 1.00 0.00 WT4 H ATOM 50622 H2 TIP3 6329 73.011 24.800 -14.257 1.00 0.00 WT4 H ATOM 50623 OH2 TIP3 6345 53.520 86.413 49.272 1.00 0.00 WT4 O ATOM 50624 H1 TIP3 6345 53.610 86.800 50.143 1.00 0.00 WT4 H ATOM 50625 H2 TIP3 6345 53.913 85.544 49.354 1.00 0.00 WT4 H ATOM 50626 OH2 TIP3 6347 39.620 96.055 0.319 1.00 0.00 WT4 O ATOM 50627 H1 TIP3 6347 39.037 95.345 0.049 1.00 0.00 WT4 H ATOM 50628 H2 TIP3 6347 40.383 95.611 0.688 1.00 0.00 WT4 H ATOM 50629 OH2 TIP3 6348 83.937 41.538 65.533 1.00 0.00 WT4 O ATOM 50630 H1 TIP3 6348 84.410 42.165 66.081 1.00 0.00 WT4 H ATOM 50631 H2 TIP3 6348 84.605 40.910 65.257 1.00 0.00 WT4 H ATOM 50632 OH2 TIP3 6353 90.219 92.148 -10.284 1.00 0.00 WT4 O ATOM 50633 H1 TIP3 6353 89.465 91.589 -10.468 1.00 0.00 WT4 H ATOM 50634 H2 TIP3 6353 90.273 92.734 -11.038 1.00 0.00 WT4 H ATOM 50635 OH2 TIP3 6357 62.219 83.416 45.400 1.00 0.00 WT4 O ATOM 50636 H1 TIP3 6357 62.169 82.529 45.757 1.00 0.00 WT4 H ATOM 50637 H2 TIP3 6357 63.153 83.627 45.410 1.00 0.00 WT4 H ATOM 50638 OH2 TIP3 6364 60.934 15.404 -4.065 1.00 0.00 WT4 O ATOM 50639 H1 TIP3 6364 60.982 14.857 -4.849 1.00 0.00 WT4 H ATOM 50640 H2 TIP3 6364 60.436 14.880 -3.437 1.00 0.00 WT4 H ATOM 50641 OH2 TIP3 6366 24.638 51.585 10.064 1.00 0.00 WT4 O ATOM 50642 H1 TIP3 6366 25.467 51.451 10.524 1.00 0.00 WT4 H ATOM 50643 H2 TIP3 6366 24.831 51.361 9.154 1.00 0.00 WT4 H ATOM 50644 OH2 TIP3 6369 54.539 72.694 -15.066 1.00 0.00 WT4 O ATOM 50645 H1 TIP3 6369 53.867 72.021 -15.177 1.00 0.00 WT4 H ATOM 50646 H2 TIP3 6369 54.901 72.819 -15.943 1.00 0.00 WT4 H ATOM 50647 OH2 TIP3 6381 35.468 54.968 33.444 1.00 0.00 WT4 O ATOM 50648 H1 TIP3 6381 35.825 54.216 33.916 1.00 0.00 WT4 H ATOM 50649 H2 TIP3 6381 36.239 55.456 33.152 1.00 0.00 WT4 H ATOM 50650 OH2 TIP3 6388 59.250 41.790 41.408 1.00 0.00 WT4 O ATOM 50651 H1 TIP3 6388 59.823 41.322 42.016 1.00 0.00 WT4 H ATOM 50652 H2 TIP3 6388 59.489 41.453 40.545 1.00 0.00 WT4 H ATOM 50653 OH2 TIP3 6390 58.016 27.722 47.123 1.00 0.00 WT4 O ATOM 50654 H1 TIP3 6390 58.885 28.017 47.394 1.00 0.00 WT4 H ATOM 50655 H2 TIP3 6390 57.809 28.259 46.357 1.00 0.00 WT4 H ATOM 50656 OH2 TIP3 6403 84.377 69.752 64.000 1.00 0.00 WT4 O ATOM 50657 H1 TIP3 6403 83.727 69.147 63.643 1.00 0.00 WT4 H ATOM 50658 H2 TIP3 6403 84.366 69.586 64.943 1.00 0.00 WT4 H ATOM 50659 OH2 TIP3 6417 79.692 95.331 4.124 1.00 0.00 WT4 O ATOM 50660 H1 TIP3 6417 79.373 95.867 3.398 1.00 0.00 WT4 H ATOM 50661 H2 TIP3 6417 80.645 95.411 4.080 1.00 0.00 WT4 H ATOM 50662 OH2 TIP3 6428 56.636 95.902 53.064 1.00 0.00 WT4 O ATOM 50663 H1 TIP3 6428 57.218 95.233 53.424 1.00 0.00 WT4 H ATOM 50664 H2 TIP3 6428 56.228 95.484 52.307 1.00 0.00 WT4 H ATOM 50665 OH2 TIP3 6429 65.798 29.880 51.533 1.00 0.00 WT4 O ATOM 50666 H1 TIP3 6429 65.603 30.155 50.637 1.00 0.00 WT4 H ATOM 50667 H2 TIP3 6429 65.732 30.683 52.050 1.00 0.00 WT4 H ATOM 50668 OH2 TIP3 6492 90.464 17.965 -5.182 1.00 0.00 WT4 O ATOM 50669 H1 TIP3 6492 90.665 18.521 -4.430 1.00 0.00 WT4 H ATOM 50670 H2 TIP3 6492 90.306 18.579 -5.899 1.00 0.00 WT4 H ATOM 50671 OH2 TIP3 6499 60.354 90.149 47.049 1.00 0.00 WT4 O ATOM 50672 H1 TIP3 6499 59.863 90.956 47.202 1.00 0.00 WT4 H ATOM 50673 H2 TIP3 6499 59.691 89.459 47.064 1.00 0.00 WT4 H ATOM 50674 OH2 TIP3 6536 55.322 16.865 56.683 1.00 0.00 WT4 O ATOM 50675 H1 TIP3 6536 55.460 16.547 57.576 1.00 0.00 WT4 H ATOM 50676 H2 TIP3 6536 55.795 17.696 56.649 1.00 0.00 WT4 H ATOM 50677 OH2 TIP3 6551 63.259 41.822 40.650 1.00 0.00 WT4 O ATOM 50678 H1 TIP3 6551 63.218 41.698 39.702 1.00 0.00 WT4 H ATOM 50679 H2 TIP3 6551 64.172 42.052 40.823 1.00 0.00 WT4 H ATOM 50680 OH2 TIP3 6555 29.460 89.583 9.455 1.00 0.00 WT4 O ATOM 50681 H1 TIP3 6555 29.101 90.469 9.406 1.00 0.00 WT4 H ATOM 50682 H2 TIP3 6555 29.222 89.275 10.329 1.00 0.00 WT4 H ATOM 50683 OH2 TIP3 6575 86.504 41.259 -17.314 1.00 0.00 WT4 O ATOM 50684 H1 TIP3 6575 85.994 41.415 -16.519 1.00 0.00 WT4 H ATOM 50685 H2 TIP3 6575 87.326 40.882 -17.001 1.00 0.00 WT4 H ATOM 50686 OH2 TIP3 6577 38.069 1.962 17.308 1.00 0.00 WT4 O ATOM 50687 H1 TIP3 6577 38.965 1.769 17.581 1.00 0.00 WT4 H ATOM 50688 H2 TIP3 6577 37.814 1.210 16.772 1.00 0.00 WT4 H ATOM 50689 OH2 TIP3 6579 77.974 62.650 51.197 1.00 0.00 WT4 O ATOM 50690 H1 TIP3 6579 78.443 61.818 51.135 1.00 0.00 WT4 H ATOM 50691 H2 TIP3 6579 77.097 62.409 51.495 1.00 0.00 WT4 H ATOM 50692 OH2 TIP3 6595 73.359 28.183 40.965 1.00 0.00 WT4 O ATOM 50693 H1 TIP3 6595 72.972 27.434 41.418 1.00 0.00 WT4 H ATOM 50694 H2 TIP3 6595 73.097 28.073 40.051 1.00 0.00 WT4 H ATOM 50695 OH2 TIP3 6597 42.281 90.876 47.416 1.00 0.00 WT4 O ATOM 50696 H1 TIP3 6597 42.506 90.439 48.237 1.00 0.00 WT4 H ATOM 50697 H2 TIP3 6597 41.945 91.731 47.683 1.00 0.00 WT4 H ATOM 50698 OH2 TIP3 6602 27.291 94.126 -10.385 1.00 0.00 WT4 O ATOM 50699 H1 TIP3 6602 26.758 94.101 -9.590 1.00 0.00 WT4 H ATOM 50700 H2 TIP3 6602 27.516 95.050 -10.495 1.00 0.00 WT4 H ATOM 50701 OH2 TIP3 6603 69.574 90.061 57.991 1.00 0.00 WT4 O ATOM 50702 H1 TIP3 6603 69.715 89.787 58.897 1.00 0.00 WT4 H ATOM 50703 H2 TIP3 6603 69.934 90.948 57.950 1.00 0.00 WT4 H ATOM 50704 OH2 TIP3 6615 63.125 43.415 -0.465 1.00 0.00 WT4 O ATOM 50705 H1 TIP3 6615 64.017 43.723 -0.306 1.00 0.00 WT4 H ATOM 50706 H2 TIP3 6615 62.872 42.983 0.351 1.00 0.00 WT4 H ATOM 50707 OH2 TIP3 6616 75.227 45.171 61.967 1.00 0.00 WT4 O ATOM 50708 H1 TIP3 6616 74.569 45.866 62.001 1.00 0.00 WT4 H ATOM 50709 H2 TIP3 6616 75.949 45.550 61.466 1.00 0.00 WT4 H ATOM 50710 OH2 TIP3 6618 51.146 91.882 0.330 1.00 0.00 WT4 O ATOM 50711 H1 TIP3 6618 51.419 92.758 0.602 1.00 0.00 WT4 H ATOM 50712 H2 TIP3 6618 51.269 91.339 1.109 1.00 0.00 WT4 H ATOM 50713 OH2 TIP3 6620 79.942 81.980 57.638 1.00 0.00 WT4 O ATOM 50714 H1 TIP3 6620 80.583 82.062 56.932 1.00 0.00 WT4 H ATOM 50715 H2 TIP3 6620 79.621 81.080 57.567 1.00 0.00 WT4 H ATOM 50716 OH2 TIP3 6621 28.235 46.840 57.611 1.00 0.00 WT4 O ATOM 50717 H1 TIP3 6621 27.631 47.545 57.376 1.00 0.00 WT4 H ATOM 50718 H2 TIP3 6621 28.761 46.702 56.823 1.00 0.00 WT4 H ATOM 50719 OH2 TIP3 6623 83.970 81.851 65.244 1.00 0.00 WT4 O ATOM 50720 H1 TIP3 6623 83.458 81.305 65.840 1.00 0.00 WT4 H ATOM 50721 H2 TIP3 6623 83.321 82.396 64.800 1.00 0.00 WT4 H ATOM 50722 OH2 TIP3 6637 24.043 58.985 -12.614 1.00 0.00 WT4 O ATOM 50723 H1 TIP3 6637 23.811 58.632 -13.472 1.00 0.00 WT4 H ATOM 50724 H2 TIP3 6637 24.622 58.325 -12.231 1.00 0.00 WT4 H ATOM 50725 OH2 TIP3 6639 70.288 79.426 -19.833 1.00 0.00 WT4 O ATOM 50726 H1 TIP3 6639 70.282 80.129 -20.484 1.00 0.00 WT4 H ATOM 50727 H2 TIP3 6639 70.892 79.731 -19.156 1.00 0.00 WT4 H ATOM 50728 OH2 TIP3 6640 85.770 60.197 -8.612 1.00 0.00 WT4 O ATOM 50729 H1 TIP3 6640 86.599 60.668 -8.523 1.00 0.00 WT4 H ATOM 50730 H2 TIP3 6640 85.462 60.082 -7.713 1.00 0.00 WT4 H ATOM 50731 OH2 TIP3 6641 24.820 64.982 -10.843 1.00 0.00 WT4 O ATOM 50732 H1 TIP3 6641 25.176 65.044 -11.729 1.00 0.00 WT4 H ATOM 50733 H2 TIP3 6641 25.558 65.197 -10.272 1.00 0.00 WT4 H ATOM 50734 OH2 TIP3 6645 85.176 37.955 62.990 1.00 0.00 WT4 O ATOM 50735 H1 TIP3 6645 85.405 38.862 63.194 1.00 0.00 WT4 H ATOM 50736 H2 TIP3 6645 85.880 37.436 63.379 1.00 0.00 WT4 H ATOM 50737 OH2 TIP3 6659 37.402 58.980 25.646 1.00 0.00 WT4 O ATOM 50738 H1 TIP3 6659 37.554 59.900 25.433 1.00 0.00 WT4 H ATOM 50739 H2 TIP3 6659 37.194 58.981 26.581 1.00 0.00 WT4 H ATOM 50740 OH2 TIP3 6660 71.852 71.163 23.226 1.00 0.00 WT4 O ATOM 50741 H1 TIP3 6660 71.114 70.555 23.186 1.00 0.00 WT4 H ATOM 50742 H2 TIP3 6660 71.545 71.876 23.787 1.00 0.00 WT4 H ATOM 50743 OH2 TIP3 6661 22.116 96.598 49.735 1.00 0.00 WT4 O ATOM 50744 H1 TIP3 6661 21.178 96.707 49.891 1.00 0.00 WT4 H ATOM 50745 H2 TIP3 6661 22.296 95.691 49.980 1.00 0.00 WT4 H ATOM 50746 OH2 TIP3 6662 28.961 23.737 28.054 1.00 0.00 WT4 O ATOM 50747 H1 TIP3 6662 29.036 23.875 28.999 1.00 0.00 WT4 H ATOM 50748 H2 TIP3 6662 29.020 24.615 27.678 1.00 0.00 WT4 H ATOM 50749 OH2 TIP3 6664 79.907 33.199 15.897 1.00 0.00 WT4 O ATOM 50750 H1 TIP3 6664 79.376 32.523 15.477 1.00 0.00 WT4 H ATOM 50751 H2 TIP3 6664 80.601 32.716 16.345 1.00 0.00 WT4 H ATOM 50752 OH2 TIP3 6671 79.869 68.635 59.495 1.00 0.00 WT4 O ATOM 50753 H1 TIP3 6671 79.644 67.719 59.659 1.00 0.00 WT4 H ATOM 50754 H2 TIP3 6671 80.520 68.845 60.165 1.00 0.00 WT4 H ATOM 50755 OH2 TIP3 6679 76.616 22.650 4.403 1.00 0.00 WT4 O ATOM 50756 H1 TIP3 6679 77.176 23.222 4.927 1.00 0.00 WT4 H ATOM 50757 H2 TIP3 6679 76.972 22.711 3.517 1.00 0.00 WT4 H ATOM 50758 OH2 TIP3 6681 26.369 5.633 5.457 1.00 0.00 WT4 O ATOM 50759 H1 TIP3 6681 26.214 5.073 4.696 1.00 0.00 WT4 H ATOM 50760 H2 TIP3 6681 27.130 5.244 5.889 1.00 0.00 WT4 H ATOM 50761 OH2 TIP3 6684 32.456 5.057 32.110 1.00 0.00 WT4 O ATOM 50762 H1 TIP3 6684 31.828 4.337 32.045 1.00 0.00 WT4 H ATOM 50763 H2 TIP3 6684 32.409 5.336 33.024 1.00 0.00 WT4 H ATOM 50764 OH2 TIP3 6686 77.146 68.987 26.012 1.00 0.00 WT4 O ATOM 50765 H1 TIP3 6686 76.556 68.736 25.301 1.00 0.00 WT4 H ATOM 50766 H2 TIP3 6686 77.981 68.575 25.788 1.00 0.00 WT4 H ATOM 50767 OH2 TIP3 6698 59.071 51.611 64.816 1.00 0.00 WT4 O ATOM 50768 H1 TIP3 6698 59.026 52.225 65.548 1.00 0.00 WT4 H ATOM 50769 H2 TIP3 6698 58.199 51.644 64.421 1.00 0.00 WT4 H ATOM 50770 OH2 TIP3 6700 78.219 9.488 7.553 1.00 0.00 WT4 O ATOM 50771 H1 TIP3 6700 77.284 9.291 7.489 1.00 0.00 WT4 H ATOM 50772 H2 TIP3 6700 78.284 10.417 7.332 1.00 0.00 WT4 H ATOM 50773 OH2 TIP3 6701 81.354 61.546 -5.206 1.00 0.00 WT4 O ATOM 50774 H1 TIP3 6701 80.400 61.558 -5.138 1.00 0.00 WT4 H ATOM 50775 H2 TIP3 6701 81.651 61.218 -4.357 1.00 0.00 WT4 H ATOM 50776 OH2 TIP3 6703 82.989 50.322 46.790 1.00 0.00 WT4 O ATOM 50777 H1 TIP3 6703 82.494 49.530 46.579 1.00 0.00 WT4 H ATOM 50778 H2 TIP3 6703 83.379 50.140 47.645 1.00 0.00 WT4 H ATOM 50779 OH2 TIP3 6704 90.448 89.210 34.611 1.00 0.00 WT4 O ATOM 50780 H1 TIP3 6704 89.566 89.481 34.356 1.00 0.00 WT4 H ATOM 50781 H2 TIP3 6704 90.820 88.826 33.818 1.00 0.00 WT4 H ATOM 50782 OH2 TIP3 6705 54.132 88.896 -6.628 1.00 0.00 WT4 O ATOM 50783 H1 TIP3 6705 53.759 88.252 -7.230 1.00 0.00 WT4 H ATOM 50784 H2 TIP3 6705 53.492 89.608 -6.611 1.00 0.00 WT4 H ATOM 50785 OH2 TIP3 6706 40.476 84.474 48.621 1.00 0.00 WT4 O ATOM 50786 H1 TIP3 6706 40.643 84.305 49.549 1.00 0.00 WT4 H ATOM 50787 H2 TIP3 6706 39.779 85.129 48.619 1.00 0.00 WT4 H ATOM 50788 OH2 TIP3 6721 46.432 35.622 38.331 1.00 0.00 WT4 O ATOM 50789 H1 TIP3 6721 45.478 35.570 38.262 1.00 0.00 WT4 H ATOM 50790 H2 TIP3 6721 46.679 36.318 37.721 1.00 0.00 WT4 H ATOM 50791 OH2 TIP3 6722 53.928 26.593 32.826 1.00 0.00 WT4 O ATOM 50792 H1 TIP3 6722 53.671 25.972 33.507 1.00 0.00 WT4 H ATOM 50793 H2 TIP3 6722 53.994 26.064 32.031 1.00 0.00 WT4 H ATOM 50794 OH2 TIP3 6726 78.911 30.182 -3.115 1.00 0.00 WT4 O ATOM 50795 H1 TIP3 6726 79.682 30.182 -3.683 1.00 0.00 WT4 H ATOM 50796 H2 TIP3 6726 79.265 30.073 -2.232 1.00 0.00 WT4 H ATOM 50797 OH2 TIP3 6727 85.742 4.013 41.865 1.00 0.00 WT4 O ATOM 50798 H1 TIP3 6727 85.631 3.271 42.460 1.00 0.00 WT4 H ATOM 50799 H2 TIP3 6727 85.991 3.615 41.031 1.00 0.00 WT4 H ATOM 50800 OH2 TIP3 6730 43.809 95.121 47.299 1.00 0.00 WT4 O ATOM 50801 H1 TIP3 6730 43.399 95.986 47.286 1.00 0.00 WT4 H ATOM 50802 H2 TIP3 6730 43.619 94.752 46.436 1.00 0.00 WT4 H ATOM 50803 OH2 TIP3 6731 63.267 4.060 14.386 1.00 0.00 WT4 O ATOM 50804 H1 TIP3 6731 63.668 4.878 14.092 1.00 0.00 WT4 H ATOM 50805 H2 TIP3 6731 62.516 3.939 13.804 1.00 0.00 WT4 H ATOM 50806 OH2 TIP3 6740 28.365 1.334 60.586 1.00 0.00 WT4 O ATOM 50807 H1 TIP3 6740 29.283 1.447 60.832 1.00 0.00 WT4 H ATOM 50808 H2 TIP3 6740 27.952 0.965 61.367 1.00 0.00 WT4 H ATOM 50809 OH2 TIP3 6742 78.780 79.311 7.901 1.00 0.00 WT4 O ATOM 50810 H1 TIP3 6742 79.230 78.509 7.633 1.00 0.00 WT4 H ATOM 50811 H2 TIP3 6742 78.609 79.190 8.835 1.00 0.00 WT4 H ATOM 50812 OH2 TIP3 6743 30.930 81.394 19.806 1.00 0.00 WT4 O ATOM 50813 H1 TIP3 6743 30.104 81.142 20.219 1.00 0.00 WT4 H ATOM 50814 H2 TIP3 6743 31.200 80.617 19.316 1.00 0.00 WT4 H ATOM 50815 OH2 TIP3 6745 84.313 57.743 51.511 1.00 0.00 WT4 O ATOM 50816 H1 TIP3 6745 85.048 57.173 51.740 1.00 0.00 WT4 H ATOM 50817 H2 TIP3 6745 84.163 57.578 50.580 1.00 0.00 WT4 H ATOM 50818 OH2 TIP3 6750 73.813 13.738 -4.109 1.00 0.00 WT4 O ATOM 50819 H1 TIP3 6750 73.408 14.267 -3.422 1.00 0.00 WT4 H ATOM 50820 H2 TIP3 6750 73.076 13.402 -4.619 1.00 0.00 WT4 H ATOM 50821 OH2 TIP3 6762 65.044 68.455 -5.652 1.00 0.00 WT4 O ATOM 50822 H1 TIP3 6762 64.647 68.159 -6.471 1.00 0.00 WT4 H ATOM 50823 H2 TIP3 6762 64.530 68.027 -4.967 1.00 0.00 WT4 H ATOM 50824 OH2 TIP3 6763 88.639 8.591 -15.037 1.00 0.00 WT4 O ATOM 50825 H1 TIP3 6763 89.369 8.971 -14.547 1.00 0.00 WT4 H ATOM 50826 H2 TIP3 6763 88.121 9.345 -15.318 1.00 0.00 WT4 H ATOM 50827 OH2 TIP3 6765 36.082 89.818 67.251 1.00 0.00 WT4 O ATOM 50828 H1 TIP3 6765 36.123 90.468 66.550 1.00 0.00 WT4 H ATOM 50829 H2 TIP3 6765 36.554 89.061 66.904 1.00 0.00 WT4 H ATOM 50830 OH2 TIP3 6767 21.325 73.047 20.384 1.00 0.00 WT4 O ATOM 50831 H1 TIP3 6767 20.710 73.241 19.676 1.00 0.00 WT4 H ATOM 50832 H2 TIP3 6767 20.790 72.624 21.056 1.00 0.00 WT4 H ATOM 50833 OH2 TIP3 6769 56.176 83.697 19.502 1.00 0.00 WT4 O ATOM 50834 H1 TIP3 6769 55.780 82.976 19.991 1.00 0.00 WT4 H ATOM 50835 H2 TIP3 6769 57.011 83.856 19.942 1.00 0.00 WT4 H ATOM 50836 OH2 TIP3 6770 56.381 40.579 40.614 1.00 0.00 WT4 O ATOM 50837 H1 TIP3 6770 55.966 40.966 39.844 1.00 0.00 WT4 H ATOM 50838 H2 TIP3 6770 56.932 41.278 40.967 1.00 0.00 WT4 H ATOM 50839 OH2 TIP3 6771 22.370 93.281 -2.121 1.00 0.00 WT4 O ATOM 50840 H1 TIP3 6771 21.797 92.544 -2.335 1.00 0.00 WT4 H ATOM 50841 H2 TIP3 6771 22.631 93.126 -1.214 1.00 0.00 WT4 H ATOM 50842 OH2 TIP3 6786 70.780 53.289 30.975 1.00 0.00 WT4 O ATOM 50843 H1 TIP3 6786 71.097 52.673 30.315 1.00 0.00 WT4 H ATOM 50844 H2 TIP3 6786 69.881 53.011 31.151 1.00 0.00 WT4 H ATOM 50845 OH2 TIP3 6788 80.923 4.421 42.490 1.00 0.00 WT4 O ATOM 50846 H1 TIP3 6788 81.571 4.532 41.795 1.00 0.00 WT4 H ATOM 50847 H2 TIP3 6788 80.080 4.444 42.037 1.00 0.00 WT4 H ATOM 50848 OH2 TIP3 6791 28.805 1.635 52.904 1.00 0.00 WT4 O ATOM 50849 H1 TIP3 6791 29.597 1.773 52.385 1.00 0.00 WT4 H ATOM 50850 H2 TIP3 6791 28.560 0.726 52.732 1.00 0.00 WT4 H ATOM 50851 OH2 TIP3 6792 33.032 32.032 -9.703 1.00 0.00 WT4 O ATOM 50852 H1 TIP3 6792 33.450 32.742 -10.191 1.00 0.00 WT4 H ATOM 50853 H2 TIP3 6792 32.389 31.669 -10.313 1.00 0.00 WT4 H ATOM 50854 OH2 TIP3 6803 25.934 34.766 18.724 1.00 0.00 WT4 O ATOM 50855 H1 TIP3 6803 25.982 35.316 17.942 1.00 0.00 WT4 H ATOM 50856 H2 TIP3 6803 26.806 34.377 18.797 1.00 0.00 WT4 H ATOM 50857 OH2 TIP3 6813 63.606 57.942 -11.588 1.00 0.00 WT4 O ATOM 50858 H1 TIP3 6813 63.582 57.614 -10.689 1.00 0.00 WT4 H ATOM 50859 H2 TIP3 6813 62.692 57.926 -11.873 1.00 0.00 WT4 H ATOM 50860 OH2 TIP3 6825 89.930 95.615 4.586 1.00 0.00 WT4 O ATOM 50861 H1 TIP3 6825 89.239 95.052 4.935 1.00 0.00 WT4 H ATOM 50862 H2 TIP3 6825 90.230 95.165 3.796 1.00 0.00 WT4 H ATOM 50863 OH2 TIP3 6826 47.147 0.692 -8.307 1.00 0.00 WT4 O ATOM 50864 H1 TIP3 6826 47.355 1.361 -8.959 1.00 0.00 WT4 H ATOM 50865 H2 TIP3 6826 47.194 1.152 -7.469 1.00 0.00 WT4 H ATOM 50866 OH2 TIP3 6827 81.215 86.914 -4.023 1.00 0.00 WT4 O ATOM 50867 H1 TIP3 6827 81.737 87.714 -3.973 1.00 0.00 WT4 H ATOM 50868 H2 TIP3 6827 81.858 86.214 -4.134 1.00 0.00 WT4 H ATOM 50869 OH2 TIP3 6853 40.406 95.769 23.884 1.00 0.00 WT4 O ATOM 50870 H1 TIP3 6853 41.080 95.644 23.216 1.00 0.00 WT4 H ATOM 50871 H2 TIP3 6853 39.676 96.173 23.416 1.00 0.00 WT4 H ATOM 50872 OH2 TIP3 6855 86.010 7.784 40.841 1.00 0.00 WT4 O ATOM 50873 H1 TIP3 6855 85.196 7.693 41.335 1.00 0.00 WT4 H ATOM 50874 H2 TIP3 6855 86.659 7.305 41.357 1.00 0.00 WT4 H ATOM 50875 OH2 TIP3 6872 32.198 73.435 54.332 1.00 0.00 WT4 O ATOM 50876 H1 TIP3 6872 32.268 73.252 53.395 1.00 0.00 WT4 H ATOM 50877 H2 TIP3 6872 32.611 74.292 54.441 1.00 0.00 WT4 H ATOM 50878 OH2 TIP3 6896 67.134 59.279 24.452 1.00 0.00 WT4 O ATOM 50879 H1 TIP3 6896 66.710 58.595 24.971 1.00 0.00 WT4 H ATOM 50880 H2 TIP3 6896 66.684 60.085 24.705 1.00 0.00 WT4 H ATOM 50881 OH2 TIP3 6916 85.207 39.757 47.220 1.00 0.00 WT4 O ATOM 50882 H1 TIP3 6916 85.872 40.057 47.839 1.00 0.00 WT4 H ATOM 50883 H2 TIP3 6916 85.675 39.161 46.635 1.00 0.00 WT4 H ATOM 50884 OH2 TIP3 6952 48.496 88.147 59.432 1.00 0.00 WT4 O ATOM 50885 H1 TIP3 6952 49.234 88.750 59.348 1.00 0.00 WT4 H ATOM 50886 H2 TIP3 6952 47.993 88.270 58.627 1.00 0.00 WT4 H ATOM 50887 OH2 TIP3 6953 37.076 14.217 45.211 1.00 0.00 WT4 O ATOM 50888 H1 TIP3 6953 37.668 14.958 45.077 1.00 0.00 WT4 H ATOM 50889 H2 TIP3 6953 37.521 13.668 45.856 1.00 0.00 WT4 H ATOM 50890 OH2 TIP3 6955 42.225 71.199 8.681 1.00 0.00 WT4 O ATOM 50891 H1 TIP3 6955 42.991 71.095 9.245 1.00 0.00 WT4 H ATOM 50892 H2 TIP3 6955 41.987 70.306 8.432 1.00 0.00 WT4 H ATOM 50893 OH2 TIP3 6975 32.651 81.148 49.512 1.00 0.00 WT4 O ATOM 50894 H1 TIP3 6975 32.570 82.072 49.275 1.00 0.00 WT4 H ATOM 50895 H2 TIP3 6975 33.302 81.137 50.214 1.00 0.00 WT4 H ATOM 50896 OH2 TIP3 7017 85.445 88.087 24.485 1.00 0.00 WT4 O ATOM 50897 H1 TIP3 7017 85.790 88.184 23.597 1.00 0.00 WT4 H ATOM 50898 H2 TIP3 7017 84.708 88.696 24.524 1.00 0.00 WT4 H ATOM 50899 OH2 TIP3 7019 72.403 75.848 48.853 1.00 0.00 WT4 O ATOM 50900 H1 TIP3 7019 73.019 75.675 48.141 1.00 0.00 WT4 H ATOM 50901 H2 TIP3 7019 71.541 75.706 48.463 1.00 0.00 WT4 H ATOM 50902 OH2 TIP3 7020 89.087 66.062 14.384 1.00 0.00 WT4 O ATOM 50903 H1 TIP3 7020 89.463 65.183 14.353 1.00 0.00 WT4 H ATOM 50904 H2 TIP3 7020 89.008 66.322 13.466 1.00 0.00 WT4 H ATOM 50905 OH2 TIP3 7021 48.913 5.882 13.872 1.00 0.00 WT4 O ATOM 50906 H1 TIP3 7021 48.762 6.250 14.743 1.00 0.00 WT4 H ATOM 50907 H2 TIP3 7021 48.048 5.876 13.462 1.00 0.00 WT4 H ATOM 50908 OH2 TIP3 7023 71.811 58.740 -0.180 1.00 0.00 WT4 O ATOM 50909 H1 TIP3 7023 72.609 59.237 0.001 1.00 0.00 WT4 H ATOM 50910 H2 TIP3 7023 71.428 58.578 0.682 1.00 0.00 WT4 H ATOM 50911 OH2 TIP3 7040 58.867 90.827 58.832 1.00 0.00 WT4 O ATOM 50912 H1 TIP3 7040 58.999 90.672 57.897 1.00 0.00 WT4 H ATOM 50913 H2 TIP3 7040 59.739 91.036 59.166 1.00 0.00 WT4 H ATOM 50914 OH2 TIP3 7041 39.039 10.592 57.595 1.00 0.00 WT4 O ATOM 50915 H1 TIP3 7041 38.911 9.976 58.316 1.00 0.00 WT4 H ATOM 50916 H2 TIP3 7041 38.462 11.328 57.802 1.00 0.00 WT4 H ATOM 50917 OH2 TIP3 7042 86.170 61.303 58.838 1.00 0.00 WT4 O ATOM 50918 H1 TIP3 7042 86.138 60.438 59.247 1.00 0.00 WT4 H ATOM 50919 H2 TIP3 7042 85.832 61.163 57.954 1.00 0.00 WT4 H ATOM 50920 OH2 TIP3 7043 36.308 13.264 6.095 1.00 0.00 WT4 O ATOM 50921 H1 TIP3 7043 37.092 12.849 5.736 1.00 0.00 WT4 H ATOM 50922 H2 TIP3 7043 35.648 13.164 5.408 1.00 0.00 WT4 H ATOM 50923 OH2 TIP3 7052 36.696 46.976 11.120 1.00 0.00 WT4 O ATOM 50924 H1 TIP3 7052 35.786 47.170 10.896 1.00 0.00 WT4 H ATOM 50925 H2 TIP3 7052 36.715 46.985 12.077 1.00 0.00 WT4 H ATOM 50926 OH2 TIP3 7058 29.400 54.129 56.830 1.00 0.00 WT4 O ATOM 50927 H1 TIP3 7058 29.647 53.328 56.368 1.00 0.00 WT4 H ATOM 50928 H2 TIP3 7058 28.684 53.862 57.407 1.00 0.00 WT4 H ATOM 50929 OH2 TIP3 7059 60.212 23.810 65.007 1.00 0.00 WT4 O ATOM 50930 H1 TIP3 7059 60.414 24.569 64.460 1.00 0.00 WT4 H ATOM 50931 H2 TIP3 7059 59.265 23.701 64.926 1.00 0.00 WT4 H ATOM 50932 OH2 TIP3 7062 62.949 75.336 -3.171 1.00 0.00 WT4 O ATOM 50933 H1 TIP3 7062 62.840 75.318 -2.221 1.00 0.00 WT4 H ATOM 50934 H2 TIP3 7062 62.708 74.455 -3.458 1.00 0.00 WT4 H ATOM 50935 OH2 TIP3 7063 78.655 93.330 21.646 1.00 0.00 WT4 O ATOM 50936 H1 TIP3 7063 78.372 94.243 21.607 1.00 0.00 WT4 H ATOM 50937 H2 TIP3 7063 78.586 93.018 20.744 1.00 0.00 WT4 H ATOM 50938 OH2 TIP3 7065 61.115 6.866 53.597 1.00 0.00 WT4 O ATOM 50939 H1 TIP3 7065 61.101 6.077 53.055 1.00 0.00 WT4 H ATOM 50940 H2 TIP3 7065 61.574 7.515 53.064 1.00 0.00 WT4 H ATOM 50941 OH2 TIP3 7076 41.254 55.740 64.849 1.00 0.00 WT4 O ATOM 50942 H1 TIP3 7076 41.157 56.115 63.974 1.00 0.00 WT4 H ATOM 50943 H2 TIP3 7076 41.597 56.458 65.381 1.00 0.00 WT4 H ATOM 50944 OH2 TIP3 7078 50.520 0.631 65.198 1.00 0.00 WT4 O ATOM 50945 H1 TIP3 7078 51.366 0.574 65.642 1.00 0.00 WT4 H ATOM 50946 H2 TIP3 7078 49.883 0.720 65.906 1.00 0.00 WT4 H ATOM 50947 OH2 TIP3 7081 25.462 82.851 52.287 1.00 0.00 WT4 O ATOM 50948 H1 TIP3 7081 24.565 83.177 52.348 1.00 0.00 WT4 H ATOM 50949 H2 TIP3 7081 25.814 82.948 53.172 1.00 0.00 WT4 H ATOM 50950 OH2 TIP3 7100 86.347 91.876 24.653 1.00 0.00 WT4 O ATOM 50951 H1 TIP3 7100 86.822 91.336 24.021 1.00 0.00 WT4 H ATOM 50952 H2 TIP3 7100 86.193 92.702 24.194 1.00 0.00 WT4 H ATOM 50953 OH2 TIP3 7101 68.446 20.303 66.779 1.00 0.00 WT4 O ATOM 50954 H1 TIP3 7101 68.878 19.887 66.033 1.00 0.00 WT4 H ATOM 50955 H2 TIP3 7101 67.865 19.628 67.128 1.00 0.00 WT4 H ATOM 50956 OH2 TIP3 7102 28.293 31.688 4.813 1.00 0.00 WT4 O ATOM 50957 H1 TIP3 7102 28.269 31.070 5.543 1.00 0.00 WT4 H ATOM 50958 H2 TIP3 7102 28.587 32.510 5.204 1.00 0.00 WT4 H ATOM 50959 OH2 TIP3 7104 85.763 0.930 65.850 1.00 0.00 WT4 O ATOM 50960 H1 TIP3 7104 85.197 1.689 65.992 1.00 0.00 WT4 H ATOM 50961 H2 TIP3 7104 85.423 0.261 66.443 1.00 0.00 WT4 H ATOM 50962 OH2 TIP3 7121 28.449 62.728 62.257 1.00 0.00 WT4 O ATOM 50963 H1 TIP3 7121 27.880 62.005 62.522 1.00 0.00 WT4 H ATOM 50964 H2 TIP3 7121 29.044 62.849 62.997 1.00 0.00 WT4 H ATOM 50965 OH2 TIP3 7122 20.654 25.701 39.205 1.00 0.00 WT4 O ATOM 50966 H1 TIP3 7122 19.837 25.707 39.704 1.00 0.00 WT4 H ATOM 50967 H2 TIP3 7122 20.998 26.590 39.297 1.00 0.00 WT4 H ATOM 50968 OH2 TIP3 7123 48.256 91.504 49.649 1.00 0.00 WT4 O ATOM 50969 H1 TIP3 7123 48.687 91.520 48.794 1.00 0.00 WT4 H ATOM 50970 H2 TIP3 7123 48.412 90.620 49.980 1.00 0.00 WT4 H ATOM 50971 OH2 TIP3 7128 88.910 78.016 -4.757 1.00 0.00 WT4 O ATOM 50972 H1 TIP3 7128 88.513 77.163 -4.934 1.00 0.00 WT4 H ATOM 50973 H2 TIP3 7128 88.464 78.617 -5.354 1.00 0.00 WT4 H ATOM 50974 OH2 TIP3 7141 79.122 71.491 -5.582 1.00 0.00 WT4 O ATOM 50975 H1 TIP3 7141 79.136 72.329 -5.119 1.00 0.00 WT4 H ATOM 50976 H2 TIP3 7141 78.379 71.020 -5.205 1.00 0.00 WT4 H ATOM 50977 OH2 TIP3 7142 87.987 5.984 -15.388 1.00 0.00 WT4 O ATOM 50978 H1 TIP3 7142 87.986 5.557 -14.531 1.00 0.00 WT4 H ATOM 50979 H2 TIP3 7142 88.233 6.890 -15.205 1.00 0.00 WT4 H ATOM 50980 OH2 TIP3 7143 52.926 15.357 12.526 1.00 0.00 WT4 O ATOM 50981 H1 TIP3 7143 52.746 16.070 11.912 1.00 0.00 WT4 H ATOM 50982 H2 TIP3 7143 53.872 15.395 12.666 1.00 0.00 WT4 H ATOM 50983 OH2 TIP3 7144 47.264 83.811 9.676 1.00 0.00 WT4 O ATOM 50984 H1 TIP3 7144 47.687 84.570 10.075 1.00 0.00 WT4 H ATOM 50985 H2 TIP3 7144 47.908 83.107 9.756 1.00 0.00 WT4 H ATOM 50986 OH2 TIP3 7145 50.908 68.969 -5.096 1.00 0.00 WT4 O ATOM 50987 H1 TIP3 7145 50.039 68.665 -4.832 1.00 0.00 WT4 H ATOM 50988 H2 TIP3 7145 51.309 69.282 -4.286 1.00 0.00 WT4 H ATOM 50989 OH2 TIP3 7146 60.667 84.038 26.459 1.00 0.00 WT4 O ATOM 50990 H1 TIP3 7146 60.297 84.209 27.325 1.00 0.00 WT4 H ATOM 50991 H2 TIP3 7146 60.543 83.098 26.326 1.00 0.00 WT4 H ATOM 50992 OH2 TIP3 7147 56.909 88.439 16.443 1.00 0.00 WT4 O ATOM 50993 H1 TIP3 7147 56.761 88.960 15.653 1.00 0.00 WT4 H ATOM 50994 H2 TIP3 7147 57.795 88.092 16.339 1.00 0.00 WT4 H ATOM 50995 OH2 TIP3 7148 21.211 81.069 39.822 1.00 0.00 WT4 O ATOM 50996 H1 TIP3 7148 20.370 81.513 39.928 1.00 0.00 WT4 H ATOM 50997 H2 TIP3 7148 20.980 80.169 39.589 1.00 0.00 WT4 H ATOM 50998 OH2 TIP3 7161 88.358 61.823 -18.876 1.00 0.00 WT4 O ATOM 50999 H1 TIP3 7161 88.839 61.609 -18.077 1.00 0.00 WT4 H ATOM 51000 H2 TIP3 7161 88.292 62.778 -18.868 1.00 0.00 WT4 H ATOM 51001 OH2 TIP3 7166 31.816 70.928 -9.156 1.00 0.00 WT4 O ATOM 51002 H1 TIP3 7166 31.749 70.218 -9.795 1.00 0.00 WT4 H ATOM 51003 H2 TIP3 7166 30.945 70.977 -8.761 1.00 0.00 WT4 H ATOM 51004 OH2 TIP3 7181 71.909 69.531 14.757 1.00 0.00 WT4 O ATOM 51005 H1 TIP3 7181 72.728 69.078 14.958 1.00 0.00 WT4 H ATOM 51006 H2 TIP3 7181 71.603 69.860 15.602 1.00 0.00 WT4 H ATOM 51007 OH2 TIP3 7182 38.775 63.129 -2.698 1.00 0.00 WT4 O ATOM 51008 H1 TIP3 7182 39.462 63.216 -3.359 1.00 0.00 WT4 H ATOM 51009 H2 TIP3 7182 38.148 63.820 -2.912 1.00 0.00 WT4 H ATOM 51010 OH2 TIP3 7183 39.556 96.581 -9.040 1.00 0.00 WT4 O ATOM 51011 H1 TIP3 7183 40.469 96.618 -8.755 1.00 0.00 WT4 H ATOM 51012 H2 TIP3 7183 39.069 96.340 -8.252 1.00 0.00 WT4 H ATOM 51013 OH2 TIP3 7184 47.960 4.987 -16.526 1.00 0.00 WT4 O ATOM 51014 H1 TIP3 7184 47.067 5.267 -16.731 1.00 0.00 WT4 H ATOM 51015 H2 TIP3 7184 48.297 5.669 -15.945 1.00 0.00 WT4 H ATOM 51016 OH2 TIP3 7185 77.525 60.456 35.765 1.00 0.00 WT4 O ATOM 51017 H1 TIP3 7185 76.812 60.301 35.147 1.00 0.00 WT4 H ATOM 51018 H2 TIP3 7185 77.535 61.405 35.887 1.00 0.00 WT4 H ATOM 51019 OH2 TIP3 7186 60.986 10.306 56.029 1.00 0.00 WT4 O ATOM 51020 H1 TIP3 7186 60.952 9.352 56.093 1.00 0.00 WT4 H ATOM 51021 H2 TIP3 7186 60.453 10.515 55.262 1.00 0.00 WT4 H ATOM 51022 OH2 TIP3 7187 70.487 65.816 -16.139 1.00 0.00 WT4 O ATOM 51023 H1 TIP3 7187 71.356 65.944 -16.519 1.00 0.00 WT4 H ATOM 51024 H2 TIP3 7187 69.975 65.413 -16.840 1.00 0.00 WT4 H ATOM 51025 OH2 TIP3 7189 56.828 93.189 53.699 1.00 0.00 WT4 O ATOM 51026 H1 TIP3 7189 56.560 93.216 52.780 1.00 0.00 WT4 H ATOM 51027 H2 TIP3 7189 57.473 92.483 53.740 1.00 0.00 WT4 H ATOM 51028 OH2 TIP3 7200 56.023 88.706 20.836 1.00 0.00 WT4 O ATOM 51029 H1 TIP3 7200 55.475 89.327 20.358 1.00 0.00 WT4 H ATOM 51030 H2 TIP3 7200 56.917 88.917 20.566 1.00 0.00 WT4 H ATOM 51031 OH2 TIP3 7203 88.700 58.787 -7.129 1.00 0.00 WT4 O ATOM 51032 H1 TIP3 7203 88.029 58.187 -7.455 1.00 0.00 WT4 H ATOM 51033 H2 TIP3 7203 88.954 58.425 -6.280 1.00 0.00 WT4 H ATOM 51034 OH2 TIP3 7206 36.597 6.511 30.151 1.00 0.00 WT4 O ATOM 51035 H1 TIP3 7206 36.880 6.044 30.936 1.00 0.00 WT4 H ATOM 51036 H2 TIP3 7206 35.685 6.744 30.326 1.00 0.00 WT4 H ATOM 51037 OH2 TIP3 7209 23.864 90.892 29.432 1.00 0.00 WT4 O ATOM 51038 H1 TIP3 7209 23.609 90.081 29.873 1.00 0.00 WT4 H ATOM 51039 H2 TIP3 7209 23.980 90.641 28.515 1.00 0.00 WT4 H ATOM 51040 OH2 TIP3 7210 57.886 84.419 47.518 1.00 0.00 WT4 O ATOM 51041 H1 TIP3 7210 57.799 83.867 46.741 1.00 0.00 WT4 H ATOM 51042 H2 TIP3 7210 57.399 85.215 47.304 1.00 0.00 WT4 H ATOM 51043 OH2 TIP3 7211 35.155 42.395 0.703 1.00 0.00 WT4 O ATOM 51044 H1 TIP3 7211 34.261 42.621 0.960 1.00 0.00 WT4 H ATOM 51045 H2 TIP3 7211 35.135 42.386 -0.254 1.00 0.00 WT4 H ATOM 51046 OH2 TIP3 7213 84.160 8.523 -2.533 1.00 0.00 WT4 O ATOM 51047 H1 TIP3 7213 84.457 8.687 -3.429 1.00 0.00 WT4 H ATOM 51048 H2 TIP3 7213 84.081 9.393 -2.143 1.00 0.00 WT4 H ATOM 51049 OH2 TIP3 7222 60.665 24.898 -17.699 1.00 0.00 WT4 O ATOM 51050 H1 TIP3 7222 60.467 25.708 -18.168 1.00 0.00 WT4 H ATOM 51051 H2 TIP3 7222 60.050 24.889 -16.965 1.00 0.00 WT4 H ATOM 51052 OH2 TIP3 7227 31.760 6.027 -7.504 1.00 0.00 WT4 O ATOM 51053 H1 TIP3 7227 30.907 6.029 -7.070 1.00 0.00 WT4 H ATOM 51054 H2 TIP3 7227 32.393 6.120 -6.792 1.00 0.00 WT4 H ATOM 51055 OH2 TIP3 7228 80.188 74.621 57.711 1.00 0.00 WT4 O ATOM 51056 H1 TIP3 7228 80.763 74.433 56.969 1.00 0.00 WT4 H ATOM 51057 H2 TIP3 7228 79.353 74.216 57.475 1.00 0.00 WT4 H ATOM 51058 OH2 TIP3 7229 24.188 93.452 54.121 1.00 0.00 WT4 O ATOM 51059 H1 TIP3 7229 23.290 93.690 53.889 1.00 0.00 WT4 H ATOM 51060 H2 TIP3 7229 24.105 92.980 54.950 1.00 0.00 WT4 H ATOM 51061 OH2 TIP3 7230 80.383 69.517 2.816 1.00 0.00 WT4 O ATOM 51062 H1 TIP3 7230 80.137 68.604 2.668 1.00 0.00 WT4 H ATOM 51063 H2 TIP3 7230 80.955 69.489 3.583 1.00 0.00 WT4 H ATOM 51064 OH2 TIP3 7247 74.503 80.674 16.218 1.00 0.00 WT4 O ATOM 51065 H1 TIP3 7247 74.607 80.326 17.104 1.00 0.00 WT4 H ATOM 51066 H2 TIP3 7247 73.689 80.283 15.900 1.00 0.00 WT4 H ATOM 51067 OH2 TIP3 7248 50.678 16.295 -14.603 1.00 0.00 WT4 O ATOM 51068 H1 TIP3 7248 51.181 15.500 -14.779 1.00 0.00 WT4 H ATOM 51069 H2 TIP3 7248 51.319 16.911 -14.249 1.00 0.00 WT4 H ATOM 51070 OH2 TIP3 7249 30.786 8.837 -3.121 1.00 0.00 WT4 O ATOM 51071 H1 TIP3 7249 29.993 9.060 -3.609 1.00 0.00 WT4 H ATOM 51072 H2 TIP3 7249 30.479 8.280 -2.406 1.00 0.00 WT4 H ATOM 51073 OH2 TIP3 7250 30.345 76.257 -17.417 1.00 0.00 WT4 O ATOM 51074 H1 TIP3 7250 30.016 75.511 -16.916 1.00 0.00 WT4 H ATOM 51075 H2 TIP3 7250 29.690 76.943 -17.283 1.00 0.00 WT4 H ATOM 51076 OH2 TIP3 7253 56.641 85.263 -15.652 1.00 0.00 WT4 O ATOM 51077 H1 TIP3 7253 56.350 85.850 -16.350 1.00 0.00 WT4 H ATOM 51078 H2 TIP3 7253 56.886 84.456 -16.103 1.00 0.00 WT4 H ATOM 51079 OH2 TIP3 7254 23.206 21.005 56.305 1.00 0.00 WT4 O ATOM 51080 H1 TIP3 7254 23.559 21.029 55.415 1.00 0.00 WT4 H ATOM 51081 H2 TIP3 7254 23.572 20.207 56.687 1.00 0.00 WT4 H ATOM 51082 OH2 TIP3 7264 37.475 13.580 34.620 1.00 0.00 WT4 O ATOM 51083 H1 TIP3 7264 36.636 13.922 34.312 1.00 0.00 WT4 H ATOM 51084 H2 TIP3 7264 37.996 14.360 34.811 1.00 0.00 WT4 H ATOM 51085 OH2 TIP3 7267 74.864 21.507 -14.089 1.00 0.00 WT4 O ATOM 51086 H1 TIP3 7267 75.258 22.155 -14.673 1.00 0.00 WT4 H ATOM 51087 H2 TIP3 7267 75.076 21.817 -13.209 1.00 0.00 WT4 H ATOM 51088 OH2 TIP3 7270 54.866 78.432 51.326 1.00 0.00 WT4 O ATOM 51089 H1 TIP3 7270 54.798 78.707 52.240 1.00 0.00 WT4 H ATOM 51090 H2 TIP3 7270 55.728 78.021 51.263 1.00 0.00 WT4 H ATOM 51091 OH2 TIP3 7311 59.768 87.678 66.799 1.00 0.00 WT4 O ATOM 51092 H1 TIP3 7311 59.318 87.051 66.233 1.00 0.00 WT4 H ATOM 51093 H2 TIP3 7311 60.698 87.491 66.672 1.00 0.00 WT4 H ATOM 51094 OH2 TIP3 7312 29.905 17.942 56.307 1.00 0.00 WT4 O ATOM 51095 H1 TIP3 7312 30.520 18.269 55.651 1.00 0.00 WT4 H ATOM 51096 H2 TIP3 7312 29.041 18.113 55.932 1.00 0.00 WT4 H ATOM 51097 OH2 TIP3 7415 76.862 68.151 45.970 1.00 0.00 WT4 O ATOM 51098 H1 TIP3 7415 77.724 67.752 45.852 1.00 0.00 WT4 H ATOM 51099 H2 TIP3 7415 77.044 69.081 46.103 1.00 0.00 WT4 H ATOM 51100 OH2 TIP3 7418 69.097 11.577 -11.672 1.00 0.00 WT4 O ATOM 51101 H1 TIP3 7418 68.454 11.777 -12.353 1.00 0.00 WT4 H ATOM 51102 H2 TIP3 7418 68.761 10.786 -11.250 1.00 0.00 WT4 H ATOM 51103 OH2 TIP3 7435 39.651 13.341 22.822 1.00 0.00 WT4 O ATOM 51104 H1 TIP3 7435 39.666 13.005 21.926 1.00 0.00 WT4 H ATOM 51105 H2 TIP3 7435 40.446 13.870 22.894 1.00 0.00 WT4 H ATOM 51106 OH2 TIP3 7437 67.352 93.392 -6.535 1.00 0.00 WT4 O ATOM 51107 H1 TIP3 7437 67.826 93.026 -7.281 1.00 0.00 WT4 H ATOM 51108 H2 TIP3 7437 66.429 93.249 -6.743 1.00 0.00 WT4 H ATOM 51109 OH2 TIP3 7439 35.827 1.760 47.560 1.00 0.00 WT4 O ATOM 51110 H1 TIP3 7439 36.737 1.496 47.694 1.00 0.00 WT4 H ATOM 51111 H2 TIP3 7439 35.430 1.704 48.429 1.00 0.00 WT4 H ATOM 51112 OH2 TIP3 7455 41.985 5.488 0.374 1.00 0.00 WT4 O ATOM 51113 H1 TIP3 7455 42.532 5.791 1.098 1.00 0.00 WT4 H ATOM 51114 H2 TIP3 7455 41.166 5.975 0.472 1.00 0.00 WT4 H ATOM 51115 OH2 TIP3 7461 81.115 48.559 46.286 1.00 0.00 WT4 O ATOM 51116 H1 TIP3 7461 80.991 48.655 45.342 1.00 0.00 WT4 H ATOM 51117 H2 TIP3 7461 80.724 47.711 46.494 1.00 0.00 WT4 H ATOM 51118 OH2 TIP3 7479 21.806 50.972 60.599 1.00 0.00 WT4 O ATOM 51119 H1 TIP3 7479 21.522 50.106 60.307 1.00 0.00 WT4 H ATOM 51120 H2 TIP3 7479 22.440 50.795 61.294 1.00 0.00 WT4 H ATOM 51121 OH2 TIP3 7480 89.299 61.235 54.920 1.00 0.00 WT4 O ATOM 51122 H1 TIP3 7480 89.263 62.189 54.998 1.00 0.00 WT4 H ATOM 51123 H2 TIP3 7480 89.499 60.929 55.805 1.00 0.00 WT4 H ATOM 51124 OH2 TIP3 7481 41.938 72.915 32.620 1.00 0.00 WT4 O ATOM 51125 H1 TIP3 7481 42.651 72.962 33.258 1.00 0.00 WT4 H ATOM 51126 H2 TIP3 7481 42.336 73.191 31.795 1.00 0.00 WT4 H ATOM 51127 OH2 TIP3 7493 85.056 69.131 48.343 1.00 0.00 WT4 O ATOM 51128 H1 TIP3 7493 84.310 68.548 48.485 1.00 0.00 WT4 H ATOM 51129 H2 TIP3 7493 84.872 69.558 47.507 1.00 0.00 WT4 H ATOM 51130 OH2 TIP3 7498 62.755 84.157 -19.289 1.00 0.00 WT4 O ATOM 51131 H1 TIP3 7498 63.304 84.648 -18.677 1.00 0.00 WT4 H ATOM 51132 H2 TIP3 7498 62.296 84.830 -19.791 1.00 0.00 WT4 H ATOM 51133 OH2 TIP3 7500 26.834 29.768 56.011 1.00 0.00 WT4 O ATOM 51134 H1 TIP3 7500 26.412 29.681 55.156 1.00 0.00 WT4 H ATOM 51135 H2 TIP3 7500 26.935 28.869 56.322 1.00 0.00 WT4 H ATOM 51136 OH2 TIP3 7501 22.208 54.221 60.662 1.00 0.00 WT4 O ATOM 51137 H1 TIP3 7501 22.045 54.592 59.795 1.00 0.00 WT4 H ATOM 51138 H2 TIP3 7501 21.769 53.370 60.645 1.00 0.00 WT4 H ATOM 51139 OH2 TIP3 7503 23.333 2.566 49.463 1.00 0.00 WT4 O ATOM 51140 H1 TIP3 7503 22.765 1.818 49.646 1.00 0.00 WT4 H ATOM 51141 H2 TIP3 7503 24.211 2.191 49.398 1.00 0.00 WT4 H ATOM 51142 OH2 TIP3 7504 68.711 89.911 -7.486 1.00 0.00 WT4 O ATOM 51143 H1 TIP3 7504 68.712 90.703 -8.023 1.00 0.00 WT4 H ATOM 51144 H2 TIP3 7504 67.973 90.027 -6.887 1.00 0.00 WT4 H ATOM 51145 OH2 TIP3 7510 89.358 41.573 53.448 1.00 0.00 WT4 O ATOM 51146 H1 TIP3 7510 89.595 42.445 53.765 1.00 0.00 WT4 H ATOM 51147 H2 TIP3 7510 88.638 41.299 54.017 1.00 0.00 WT4 H ATOM 51148 OH2 TIP3 7519 86.342 62.748 15.859 1.00 0.00 WT4 O ATOM 51149 H1 TIP3 7519 86.508 62.265 15.049 1.00 0.00 WT4 H ATOM 51150 H2 TIP3 7519 86.187 63.648 15.573 1.00 0.00 WT4 H ATOM 51151 OH2 TIP3 7522 73.881 86.471 6.929 1.00 0.00 WT4 O ATOM 51152 H1 TIP3 7522 74.786 86.179 6.827 1.00 0.00 WT4 H ATOM 51153 H2 TIP3 7522 73.552 86.553 6.034 1.00 0.00 WT4 H ATOM 51154 OH2 TIP3 7523 49.764 53.053 -18.709 1.00 0.00 WT4 O ATOM 51155 H1 TIP3 7523 49.593 52.281 -19.249 1.00 0.00 WT4 H ATOM 51156 H2 TIP3 7523 50.718 53.083 -18.629 1.00 0.00 WT4 H ATOM 51157 OH2 TIP3 7525 41.800 78.298 6.437 1.00 0.00 WT4 O ATOM 51158 H1 TIP3 7525 42.740 78.264 6.257 1.00 0.00 WT4 H ATOM 51159 H2 TIP3 7525 41.635 77.535 6.992 1.00 0.00 WT4 H ATOM 51160 OH2 TIP3 7526 60.712 45.732 3.785 1.00 0.00 WT4 O ATOM 51161 H1 TIP3 7526 60.653 46.348 4.515 1.00 0.00 WT4 H ATOM 51162 H2 TIP3 7526 60.080 45.046 3.998 1.00 0.00 WT4 H ATOM 51163 OH2 TIP3 7541 46.378 14.060 60.302 1.00 0.00 WT4 O ATOM 51164 H1 TIP3 7541 45.569 13.572 60.147 1.00 0.00 WT4 H ATOM 51165 H2 TIP3 7541 47.068 13.497 59.954 1.00 0.00 WT4 H ATOM 51166 OH2 TIP3 7544 69.847 6.663 -7.288 1.00 0.00 WT4 O ATOM 51167 H1 TIP3 7544 69.901 7.581 -7.023 1.00 0.00 WT4 H ATOM 51168 H2 TIP3 7544 68.983 6.580 -7.691 1.00 0.00 WT4 H ATOM 51169 OH2 TIP3 7545 70.441 63.815 18.264 1.00 0.00 WT4 O ATOM 51170 H1 TIP3 7545 71.314 63.580 17.950 1.00 0.00 WT4 H ATOM 51171 H2 TIP3 7545 69.849 63.503 17.580 1.00 0.00 WT4 H ATOM 51172 OH2 TIP3 7559 82.187 26.959 42.532 1.00 0.00 WT4 O ATOM 51173 H1 TIP3 7559 82.537 27.342 41.728 1.00 0.00 WT4 H ATOM 51174 H2 TIP3 7559 81.375 26.530 42.260 1.00 0.00 WT4 H ATOM 51175 OH2 TIP3 7561 22.900 45.950 22.367 1.00 0.00 WT4 O ATOM 51176 H1 TIP3 7561 23.827 45.945 22.129 1.00 0.00 WT4 H ATOM 51177 H2 TIP3 7561 22.669 46.878 22.413 1.00 0.00 WT4 H ATOM 51178 OH2 TIP3 7563 74.295 63.139 23.936 1.00 0.00 WT4 O ATOM 51179 H1 TIP3 7563 74.532 62.795 24.797 1.00 0.00 WT4 H ATOM 51180 H2 TIP3 7563 73.633 63.805 24.117 1.00 0.00 WT4 H ATOM 51181 OH2 TIP3 7564 63.216 88.703 -18.511 1.00 0.00 WT4 O ATOM 51182 H1 TIP3 7564 64.167 88.809 -18.491 1.00 0.00 WT4 H ATOM 51183 H2 TIP3 7564 62.873 89.592 -18.416 1.00 0.00 WT4 H ATOM 51184 OH2 TIP3 7567 34.571 87.845 -11.812 1.00 0.00 WT4 O ATOM 51185 H1 TIP3 7567 34.593 88.042 -10.875 1.00 0.00 WT4 H ATOM 51186 H2 TIP3 7567 35.492 87.815 -12.072 1.00 0.00 WT4 H ATOM 51187 OH2 TIP3 7582 72.453 39.327 -18.242 1.00 0.00 WT4 O ATOM 51188 H1 TIP3 7582 72.201 38.562 -18.759 1.00 0.00 WT4 H ATOM 51189 H2 TIP3 7582 73.408 39.355 -18.304 1.00 0.00 WT4 H ATOM 51190 OH2 TIP3 7584 77.934 83.270 51.122 1.00 0.00 WT4 O ATOM 51191 H1 TIP3 7584 77.094 82.919 50.825 1.00 0.00 WT4 H ATOM 51192 H2 TIP3 7584 78.577 82.889 50.524 1.00 0.00 WT4 H ATOM 51193 OH2 TIP3 7586 32.561 17.826 28.313 1.00 0.00 WT4 O ATOM 51194 H1 TIP3 7586 32.794 18.502 27.676 1.00 0.00 WT4 H ATOM 51195 H2 TIP3 7586 31.720 17.487 28.006 1.00 0.00 WT4 H ATOM 51196 OH2 TIP3 7594 30.826 56.427 38.774 1.00 0.00 WT4 O ATOM 51197 H1 TIP3 7594 31.451 57.151 38.830 1.00 0.00 WT4 H ATOM 51198 H2 TIP3 7594 31.178 55.860 38.088 1.00 0.00 WT4 H ATOM 51199 OH2 TIP3 7602 61.598 36.072 31.304 1.00 0.00 WT4 O ATOM 51200 H1 TIP3 7602 60.914 35.893 31.949 1.00 0.00 WT4 H ATOM 51201 H2 TIP3 7602 61.143 36.521 30.591 1.00 0.00 WT4 H ATOM 51202 OH2 TIP3 7605 70.771 19.029 -19.061 1.00 0.00 WT4 O ATOM 51203 H1 TIP3 7605 70.717 19.493 -18.225 1.00 0.00 WT4 H ATOM 51204 H2 TIP3 7605 71.382 19.547 -19.584 1.00 0.00 WT4 H ATOM 51205 OH2 TIP3 7608 79.916 34.433 66.044 1.00 0.00 WT4 O ATOM 51206 H1 TIP3 7608 80.606 33.929 65.611 1.00 0.00 WT4 H ATOM 51207 H2 TIP3 7608 80.218 35.340 65.998 1.00 0.00 WT4 H ATOM 51208 OH2 TIP3 7612 28.322 73.367 -18.712 1.00 0.00 WT4 O ATOM 51209 H1 TIP3 7612 29.202 73.172 -18.388 1.00 0.00 WT4 H ATOM 51210 H2 TIP3 7612 27.835 72.552 -18.589 1.00 0.00 WT4 H ATOM 51211 OH2 TIP3 7625 23.529 58.576 3.962 1.00 0.00 WT4 O ATOM 51212 H1 TIP3 7625 24.429 58.284 3.815 1.00 0.00 WT4 H ATOM 51213 H2 TIP3 7625 23.235 58.073 4.721 1.00 0.00 WT4 H ATOM 51214 OH2 TIP3 7626 77.462 87.646 58.828 1.00 0.00 WT4 O ATOM 51215 H1 TIP3 7626 76.993 86.872 58.517 1.00 0.00 WT4 H ATOM 51216 H2 TIP3 7626 77.552 87.510 59.771 1.00 0.00 WT4 H ATOM 51217 OH2 TIP3 7628 90.097 13.686 5.553 1.00 0.00 WT4 O ATOM 51218 H1 TIP3 7628 90.410 12.976 6.113 1.00 0.00 WT4 H ATOM 51219 H2 TIP3 7628 90.338 14.485 6.021 1.00 0.00 WT4 H ATOM 51220 OH2 TIP3 7629 66.638 72.147 50.233 1.00 0.00 WT4 O ATOM 51221 H1 TIP3 7629 66.601 72.771 50.958 1.00 0.00 WT4 H ATOM 51222 H2 TIP3 7629 65.724 71.910 50.074 1.00 0.00 WT4 H ATOM 51223 OH2 TIP3 7630 22.129 29.840 -16.968 1.00 0.00 WT4 O ATOM 51224 H1 TIP3 7630 22.921 30.379 -16.976 1.00 0.00 WT4 H ATOM 51225 H2 TIP3 7630 21.599 30.183 -17.688 1.00 0.00 WT4 H ATOM 51226 OH2 TIP3 7631 60.102 92.999 39.280 1.00 0.00 WT4 O ATOM 51227 H1 TIP3 7631 60.595 92.274 39.662 1.00 0.00 WT4 H ATOM 51228 H2 TIP3 7631 60.765 93.661 39.081 1.00 0.00 WT4 H ATOM 51229 OH2 TIP3 7643 44.783 0.983 -4.121 1.00 0.00 WT4 O ATOM 51230 H1 TIP3 7643 44.146 1.027 -3.408 1.00 0.00 WT4 H ATOM 51231 H2 TIP3 7643 44.570 0.173 -4.584 1.00 0.00 WT4 H ATOM 51232 OH2 TIP3 7644 38.290 53.892 -4.927 1.00 0.00 WT4 O ATOM 51233 H1 TIP3 7644 39.131 54.322 -4.771 1.00 0.00 WT4 H ATOM 51234 H2 TIP3 7644 37.656 54.609 -4.951 1.00 0.00 WT4 H ATOM 51235 OH2 TIP3 7645 44.407 57.269 52.238 1.00 0.00 WT4 O ATOM 51236 H1 TIP3 7645 44.590 57.857 52.971 1.00 0.00 WT4 H ATOM 51237 H2 TIP3 7645 44.779 57.711 51.476 1.00 0.00 WT4 H ATOM 51238 OH2 TIP3 7646 59.442 83.853 59.035 1.00 0.00 WT4 O ATOM 51239 H1 TIP3 7646 59.419 83.719 58.088 1.00 0.00 WT4 H ATOM 51240 H2 TIP3 7646 59.349 82.975 59.405 1.00 0.00 WT4 H ATOM 51241 OH2 TIP3 7647 29.565 22.376 13.548 1.00 0.00 WT4 O ATOM 51242 H1 TIP3 7647 29.921 21.632 14.034 1.00 0.00 WT4 H ATOM 51243 H2 TIP3 7647 29.569 22.090 12.634 1.00 0.00 WT4 H ATOM 51244 OH2 TIP3 7649 67.514 29.098 67.098 1.00 0.00 WT4 O ATOM 51245 H1 TIP3 7649 67.151 29.269 66.229 1.00 0.00 WT4 H ATOM 51246 H2 TIP3 7649 68.444 29.312 67.017 1.00 0.00 WT4 H ATOM 51247 OH2 TIP3 7650 56.305 16.700 14.158 1.00 0.00 WT4 O ATOM 51248 H1 TIP3 7650 56.672 17.318 13.526 1.00 0.00 WT4 H ATOM 51249 H2 TIP3 7650 55.656 17.211 14.643 1.00 0.00 WT4 H ATOM 51250 OH2 TIP3 7652 62.160 73.715 65.203 1.00 0.00 WT4 O ATOM 51251 H1 TIP3 7652 62.393 73.197 64.433 1.00 0.00 WT4 H ATOM 51252 H2 TIP3 7652 61.210 73.618 65.278 1.00 0.00 WT4 H ATOM 51253 OH2 TIP3 7653 85.739 29.110 54.405 1.00 0.00 WT4 O ATOM 51254 H1 TIP3 7653 86.454 29.019 53.775 1.00 0.00 WT4 H ATOM 51255 H2 TIP3 7653 86.064 28.688 55.200 1.00 0.00 WT4 H ATOM 51256 OH2 TIP3 7663 67.429 13.253 66.595 1.00 0.00 WT4 O ATOM 51257 H1 TIP3 7663 67.490 12.934 65.695 1.00 0.00 WT4 H ATOM 51258 H2 TIP3 7663 66.799 12.668 67.016 1.00 0.00 WT4 H ATOM 51259 OH2 TIP3 7668 59.877 76.170 35.704 1.00 0.00 WT4 O ATOM 51260 H1 TIP3 7668 59.307 75.473 36.028 1.00 0.00 WT4 H ATOM 51261 H2 TIP3 7668 60.252 75.817 34.897 1.00 0.00 WT4 H ATOM 51262 OH2 TIP3 7669 35.085 80.682 65.647 1.00 0.00 WT4 O ATOM 51263 H1 TIP3 7669 34.890 81.599 65.838 1.00 0.00 WT4 H ATOM 51264 H2 TIP3 7669 34.659 80.516 64.806 1.00 0.00 WT4 H ATOM 51265 OH2 TIP3 7670 60.721 80.610 14.566 1.00 0.00 WT4 O ATOM 51266 H1 TIP3 7670 60.092 80.204 13.969 1.00 0.00 WT4 H ATOM 51267 H2 TIP3 7670 60.438 81.522 14.630 1.00 0.00 WT4 H ATOM 51268 OH2 TIP3 7671 22.821 94.807 26.713 1.00 0.00 WT4 O ATOM 51269 H1 TIP3 7671 23.647 94.434 27.020 1.00 0.00 WT4 H ATOM 51270 H2 TIP3 7671 22.995 95.063 25.807 1.00 0.00 WT4 H ATOM 51271 OH2 TIP3 7686 28.351 60.758 58.845 1.00 0.00 WT4 O ATOM 51272 H1 TIP3 7686 29.229 60.931 59.185 1.00 0.00 WT4 H ATOM 51273 H2 TIP3 7686 27.937 60.216 59.517 1.00 0.00 WT4 H ATOM 51274 OH2 TIP3 7690 28.949 82.191 47.611 1.00 0.00 WT4 O ATOM 51275 H1 TIP3 7690 28.394 82.968 47.673 1.00 0.00 WT4 H ATOM 51276 H2 TIP3 7690 28.359 81.497 47.316 1.00 0.00 WT4 H ATOM 51277 OH2 TIP3 7691 57.127 71.061 -19.536 1.00 0.00 WT4 O ATOM 51278 H1 TIP3 7691 56.802 71.924 -19.279 1.00 0.00 WT4 H ATOM 51279 H2 TIP3 7691 57.781 70.844 -18.871 1.00 0.00 WT4 H ATOM 51280 OH2 TIP3 7694 75.942 82.547 58.618 1.00 0.00 WT4 O ATOM 51281 H1 TIP3 7694 75.743 82.778 59.526 1.00 0.00 WT4 H ATOM 51282 H2 TIP3 7694 75.090 82.359 58.226 1.00 0.00 WT4 H ATOM 51283 OH2 TIP3 7695 24.327 2.847 9.510 1.00 0.00 WT4 O ATOM 51284 H1 TIP3 7695 24.157 2.835 10.452 1.00 0.00 WT4 H ATOM 51285 H2 TIP3 7695 25.282 2.870 9.439 1.00 0.00 WT4 H ATOM 51286 OH2 TIP3 7696 41.401 95.644 31.761 1.00 0.00 WT4 O ATOM 51287 H1 TIP3 7696 41.861 96.209 32.381 1.00 0.00 WT4 H ATOM 51288 H2 TIP3 7696 41.635 95.991 30.900 1.00 0.00 WT4 H ATOM 51289 OH2 TIP3 7698 64.855 57.634 60.853 1.00 0.00 WT4 O ATOM 51290 H1 TIP3 7698 64.049 57.796 60.362 1.00 0.00 WT4 H ATOM 51291 H2 TIP3 7698 65.549 57.673 60.194 1.00 0.00 WT4 H ATOM 51292 OH2 TIP3 7705 73.376 92.488 64.339 1.00 0.00 WT4 O ATOM 51293 H1 TIP3 7705 74.127 92.969 63.989 1.00 0.00 WT4 H ATOM 51294 H2 TIP3 7705 72.623 93.048 64.149 1.00 0.00 WT4 H ATOM 51295 OH2 TIP3 7707 37.819 55.545 50.356 1.00 0.00 WT4 O ATOM 51296 H1 TIP3 7707 37.311 55.620 51.164 1.00 0.00 WT4 H ATOM 51297 H2 TIP3 7707 38.361 56.334 50.340 1.00 0.00 WT4 H ATOM 51298 OH2 TIP3 7708 54.194 90.354 27.300 1.00 0.00 WT4 O ATOM 51299 H1 TIP3 7708 53.379 89.975 26.971 1.00 0.00 WT4 H ATOM 51300 H2 TIP3 7708 54.786 90.341 26.548 1.00 0.00 WT4 H ATOM 51301 OH2 TIP3 7710 84.289 91.049 17.189 1.00 0.00 WT4 O ATOM 51302 H1 TIP3 7710 83.752 91.303 17.940 1.00 0.00 WT4 H ATOM 51303 H2 TIP3 7710 84.865 90.363 17.526 1.00 0.00 WT4 H ATOM 51304 OH2 TIP3 7712 45.278 38.576 51.516 1.00 0.00 WT4 O ATOM 51305 H1 TIP3 7712 45.319 39.390 51.015 1.00 0.00 WT4 H ATOM 51306 H2 TIP3 7712 44.382 38.544 51.851 1.00 0.00 WT4 H ATOM 51307 OH2 TIP3 7713 71.708 14.312 46.263 1.00 0.00 WT4 O ATOM 51308 H1 TIP3 7713 72.367 13.925 46.840 1.00 0.00 WT4 H ATOM 51309 H2 TIP3 7713 71.234 14.929 46.820 1.00 0.00 WT4 H ATOM 51310 OH2 TIP3 7716 25.631 90.848 -12.928 1.00 0.00 WT4 O ATOM 51311 H1 TIP3 7716 25.821 90.109 -13.506 1.00 0.00 WT4 H ATOM 51312 H2 TIP3 7716 26.374 90.879 -12.326 1.00 0.00 WT4 H ATOM 51313 OH2 TIP3 7734 66.683 9.067 7.809 1.00 0.00 WT4 O ATOM 51314 H1 TIP3 7734 66.169 9.337 8.570 1.00 0.00 WT4 H ATOM 51315 H2 TIP3 7734 67.311 8.434 8.156 1.00 0.00 WT4 H ATOM 51316 OH2 TIP3 7735 46.398 58.498 11.478 1.00 0.00 WT4 O ATOM 51317 H1 TIP3 7735 47.105 59.028 11.111 1.00 0.00 WT4 H ATOM 51318 H2 TIP3 7735 46.356 58.758 12.398 1.00 0.00 WT4 H ATOM 51319 OH2 TIP3 7757 64.402 71.391 13.723 1.00 0.00 WT4 O ATOM 51320 H1 TIP3 7757 64.515 71.516 12.781 1.00 0.00 WT4 H ATOM 51321 H2 TIP3 7757 64.652 70.479 13.876 1.00 0.00 WT4 H ATOM 51322 OH2 TIP3 7791 21.450 9.859 2.100 1.00 0.00 WT4 O ATOM 51323 H1 TIP3 7791 21.905 10.015 1.273 1.00 0.00 WT4 H ATOM 51324 H2 TIP3 7791 21.598 10.656 2.610 1.00 0.00 WT4 H ATOM 51325 OH2 TIP3 7872 64.540 82.053 13.161 1.00 0.00 WT4 O ATOM 51326 H1 TIP3 7872 63.637 81.791 12.982 1.00 0.00 WT4 H ATOM 51327 H2 TIP3 7872 64.852 81.416 13.804 1.00 0.00 WT4 H ATOM 51328 OH2 TIP3 7895 23.964 14.520 7.183 1.00 0.00 WT4 O ATOM 51329 H1 TIP3 7895 24.738 14.005 6.955 1.00 0.00 WT4 H ATOM 51330 H2 TIP3 7895 23.227 14.002 6.857 1.00 0.00 WT4 H ATOM 51331 OH2 TIP3 7922 88.583 57.531 44.498 1.00 0.00 WT4 O ATOM 51332 H1 TIP3 7922 88.777 56.695 44.922 1.00 0.00 WT4 H ATOM 51333 H2 TIP3 7922 88.663 57.351 43.562 1.00 0.00 WT4 H ATOM 51334 OH2 TIP3 7933 62.257 58.451 60.097 1.00 0.00 WT4 O ATOM 51335 H1 TIP3 7933 62.076 58.968 60.881 1.00 0.00 WT4 H ATOM 51336 H2 TIP3 7933 62.205 59.080 59.377 1.00 0.00 WT4 H ATOM 51337 OH2 TIP3 7938 84.932 54.381 29.828 1.00 0.00 WT4 O ATOM 51338 H1 TIP3 7938 84.578 53.595 30.244 1.00 0.00 WT4 H ATOM 51339 H2 TIP3 7938 84.974 55.027 30.534 1.00 0.00 WT4 H ATOM 51340 OH2 TIP3 7939 87.592 68.427 13.475 1.00 0.00 WT4 O ATOM 51341 H1 TIP3 7939 88.506 68.445 13.191 1.00 0.00 WT4 H ATOM 51342 H2 TIP3 7939 87.636 68.506 14.428 1.00 0.00 WT4 H ATOM 51343 OH2 TIP3 7941 65.185 34.565 35.144 1.00 0.00 WT4 O ATOM 51344 H1 TIP3 7941 64.768 35.390 34.898 1.00 0.00 WT4 H ATOM 51345 H2 TIP3 7941 64.635 33.890 34.745 1.00 0.00 WT4 H ATOM 51346 OH2 TIP3 7942 32.957 42.136 29.597 1.00 0.00 WT4 O ATOM 51347 H1 TIP3 7942 33.764 41.859 29.164 1.00 0.00 WT4 H ATOM 51348 H2 TIP3 7942 32.599 42.816 29.026 1.00 0.00 WT4 H ATOM 51349 OH2 TIP3 7947 63.608 78.084 -10.039 1.00 0.00 WT4 O ATOM 51350 H1 TIP3 7947 64.133 77.909 -9.258 1.00 0.00 WT4 H ATOM 51351 H2 TIP3 7947 63.995 77.532 -10.718 1.00 0.00 WT4 H ATOM 51352 OH2 TIP3 7949 27.644 36.967 -7.361 1.00 0.00 WT4 O ATOM 51353 H1 TIP3 7949 27.272 37.077 -6.487 1.00 0.00 WT4 H ATOM 51354 H2 TIP3 7949 28.205 37.734 -7.482 1.00 0.00 WT4 H ATOM 51355 OH2 TIP3 7961 81.884 48.456 60.066 1.00 0.00 WT4 O ATOM 51356 H1 TIP3 7961 81.591 49.232 59.589 1.00 0.00 WT4 H ATOM 51357 H2 TIP3 7961 82.575 48.778 60.646 1.00 0.00 WT4 H ATOM 51358 OH2 TIP3 7962 85.821 85.404 34.021 1.00 0.00 WT4 O ATOM 51359 H1 TIP3 7962 85.001 85.251 34.491 1.00 0.00 WT4 H ATOM 51360 H2 TIP3 7962 86.264 84.556 34.028 1.00 0.00 WT4 H ATOM 51361 OH2 TIP3 7963 31.814 58.683 51.415 1.00 0.00 WT4 O ATOM 51362 H1 TIP3 7963 31.339 59.511 51.476 1.00 0.00 WT4 H ATOM 51363 H2 TIP3 7963 32.685 58.928 51.101 1.00 0.00 WT4 H ATOM 51364 OH2 TIP3 7964 73.554 2.656 13.824 1.00 0.00 WT4 O ATOM 51365 H1 TIP3 7964 73.189 1.771 13.803 1.00 0.00 WT4 H ATOM 51366 H2 TIP3 7964 73.713 2.828 14.752 1.00 0.00 WT4 H ATOM 51367 OH2 TIP3 7965 33.217 53.621 64.645 1.00 0.00 WT4 O ATOM 51368 H1 TIP3 7965 32.757 52.958 64.129 1.00 0.00 WT4 H ATOM 51369 H2 TIP3 7965 33.160 54.418 64.117 1.00 0.00 WT4 H ATOM 51370 OH2 TIP3 7967 29.766 7.507 50.204 1.00 0.00 WT4 O ATOM 51371 H1 TIP3 7967 28.916 7.286 50.584 1.00 0.00 WT4 H ATOM 51372 H2 TIP3 7967 29.882 6.878 49.492 1.00 0.00 WT4 H ATOM 51373 OH2 TIP3 7969 21.005 74.398 23.407 1.00 0.00 WT4 O ATOM 51374 H1 TIP3 7969 21.546 73.800 23.924 1.00 0.00 WT4 H ATOM 51375 H2 TIP3 7969 20.286 73.854 23.086 1.00 0.00 WT4 H ATOM 51376 OH2 TIP3 7981 73.559 49.336 -0.724 1.00 0.00 WT4 O ATOM 51377 H1 TIP3 7981 73.084 49.679 0.033 1.00 0.00 WT4 H ATOM 51378 H2 TIP3 7981 73.501 50.031 -1.379 1.00 0.00 WT4 H ATOM 51379 OH2 TIP3 7983 67.362 4.628 41.986 1.00 0.00 WT4 O ATOM 51380 H1 TIP3 7983 67.118 4.653 41.061 1.00 0.00 WT4 H ATOM 51381 H2 TIP3 7983 66.603 4.243 42.424 1.00 0.00 WT4 H ATOM 51382 OH2 TIP3 7984 29.306 66.714 42.140 1.00 0.00 WT4 O ATOM 51383 H1 TIP3 7984 29.549 67.320 41.439 1.00 0.00 WT4 H ATOM 51384 H2 TIP3 7984 28.745 66.067 41.714 1.00 0.00 WT4 H ATOM 51385 OH2 TIP3 7985 65.254 89.399 56.340 1.00 0.00 WT4 O ATOM 51386 H1 TIP3 7985 65.503 90.242 56.717 1.00 0.00 WT4 H ATOM 51387 H2 TIP3 7985 64.297 89.398 56.363 1.00 0.00 WT4 H ATOM 51388 OH2 TIP3 7986 68.277 48.239 60.508 1.00 0.00 WT4 O ATOM 51389 H1 TIP3 7986 68.576 49.139 60.383 1.00 0.00 WT4 H ATOM 51390 H2 TIP3 7986 67.566 48.133 59.875 1.00 0.00 WT4 H ATOM 51391 OH2 TIP3 7987 26.956 15.568 35.867 1.00 0.00 WT4 O ATOM 51392 H1 TIP3 7987 27.206 16.081 35.099 1.00 0.00 WT4 H ATOM 51393 H2 TIP3 7987 27.584 15.826 36.543 1.00 0.00 WT4 H ATOM 51394 OH2 TIP3 8003 75.956 73.059 25.105 1.00 0.00 WT4 O ATOM 51395 H1 TIP3 8003 75.064 73.268 24.826 1.00 0.00 WT4 H ATOM 51396 H2 TIP3 8003 75.865 72.251 25.610 1.00 0.00 WT4 H ATOM 51397 OH2 TIP3 8004 74.383 81.803 -4.490 1.00 0.00 WT4 O ATOM 51398 H1 TIP3 8004 73.975 82.668 -4.480 1.00 0.00 WT4 H ATOM 51399 H2 TIP3 8004 73.670 81.198 -4.285 1.00 0.00 WT4 H ATOM 51400 OH2 TIP3 8005 29.069 59.550 -7.276 1.00 0.00 WT4 O ATOM 51401 H1 TIP3 8005 29.229 60.135 -6.537 1.00 0.00 WT4 H ATOM 51402 H2 TIP3 8005 29.195 58.671 -6.919 1.00 0.00 WT4 H ATOM 51403 OH2 TIP3 8007 44.015 55.781 -0.628 1.00 0.00 WT4 O ATOM 51404 H1 TIP3 8007 44.734 55.292 -0.226 1.00 0.00 WT4 H ATOM 51405 H2 TIP3 8007 44.003 56.617 -0.161 1.00 0.00 WT4 H ATOM 51406 OH2 TIP3 8022 44.226 9.311 55.585 1.00 0.00 WT4 O ATOM 51407 H1 TIP3 8022 44.125 9.511 54.654 1.00 0.00 WT4 H ATOM 51408 H2 TIP3 8022 43.330 9.234 55.912 1.00 0.00 WT4 H ATOM 51409 OH2 TIP3 8024 64.666 95.278 33.238 1.00 0.00 WT4 O ATOM 51410 H1 TIP3 8024 63.710 95.323 33.200 1.00 0.00 WT4 H ATOM 51411 H2 TIP3 8024 64.916 95.992 33.825 1.00 0.00 WT4 H ATOM 51412 OH2 TIP3 8027 35.013 48.519 -15.300 1.00 0.00 WT4 O ATOM 51413 H1 TIP3 8027 35.938 48.480 -15.055 1.00 0.00 WT4 H ATOM 51414 H2 TIP3 8027 34.654 49.228 -14.767 1.00 0.00 WT4 H ATOM 51415 OH2 TIP3 8029 27.910 83.103 -14.593 1.00 0.00 WT4 O ATOM 51416 H1 TIP3 8029 28.766 83.470 -14.814 1.00 0.00 WT4 H ATOM 51417 H2 TIP3 8029 27.423 83.115 -15.417 1.00 0.00 WT4 H ATOM 51418 OH2 TIP3 8030 60.526 58.123 51.961 1.00 0.00 WT4 O ATOM 51419 H1 TIP3 8030 60.674 57.285 52.401 1.00 0.00 WT4 H ATOM 51420 H2 TIP3 8030 59.653 58.042 51.578 1.00 0.00 WT4 H ATOM 51421 OH2 TIP3 8040 71.268 38.230 1.973 1.00 0.00 WT4 O ATOM 51422 H1 TIP3 8040 71.174 38.143 2.921 1.00 0.00 WT4 H ATOM 51423 H2 TIP3 8040 70.701 38.966 1.742 1.00 0.00 WT4 H ATOM 51424 OH2 TIP3 8041 87.362 64.353 -8.252 1.00 0.00 WT4 O ATOM 51425 H1 TIP3 8041 87.881 65.128 -8.033 1.00 0.00 WT4 H ATOM 51426 H2 TIP3 8041 88.008 63.657 -8.370 1.00 0.00 WT4 H ATOM 51427 OH2 TIP3 8045 37.551 39.235 52.571 1.00 0.00 WT4 O ATOM 51428 H1 TIP3 8045 38.128 39.699 51.964 1.00 0.00 WT4 H ATOM 51429 H2 TIP3 8045 36.945 38.754 52.007 1.00 0.00 WT4 H ATOM 51430 OH2 TIP3 8046 40.218 65.816 56.410 1.00 0.00 WT4 O ATOM 51431 H1 TIP3 8046 40.127 66.763 56.306 1.00 0.00 WT4 H ATOM 51432 H2 TIP3 8046 41.004 65.594 55.912 1.00 0.00 WT4 H ATOM 51433 OH2 TIP3 8047 85.601 62.186 62.457 1.00 0.00 WT4 O ATOM 51434 H1 TIP3 8047 85.561 62.899 63.094 1.00 0.00 WT4 H ATOM 51435 H2 TIP3 8047 84.720 62.148 62.084 1.00 0.00 WT4 H ATOM 51436 OH2 TIP3 8052 80.313 13.553 49.121 1.00 0.00 WT4 O ATOM 51437 H1 TIP3 8052 80.493 14.465 49.351 1.00 0.00 WT4 H ATOM 51438 H2 TIP3 8052 79.365 13.520 48.998 1.00 0.00 WT4 H ATOM 51439 OH2 TIP3 8063 33.884 50.062 -13.285 1.00 0.00 WT4 O ATOM 51440 H1 TIP3 8063 33.573 50.951 -13.452 1.00 0.00 WT4 H ATOM 51441 H2 TIP3 8063 33.286 49.719 -12.622 1.00 0.00 WT4 H ATOM 51442 OH2 TIP3 8064 63.317 82.236 42.082 1.00 0.00 WT4 O ATOM 51443 H1 TIP3 8064 62.854 82.062 41.263 1.00 0.00 WT4 H ATOM 51444 H2 TIP3 8064 63.678 81.387 42.339 1.00 0.00 WT4 H ATOM 51445 OH2 TIP3 8067 23.627 95.611 45.780 1.00 0.00 WT4 O ATOM 51446 H1 TIP3 8067 23.166 96.321 45.335 1.00 0.00 WT4 H ATOM 51447 H2 TIP3 8067 24.497 95.967 45.963 1.00 0.00 WT4 H ATOM 51448 OH2 TIP3 8068 70.254 59.578 -18.779 1.00 0.00 WT4 O ATOM 51449 H1 TIP3 8068 70.379 59.834 -19.692 1.00 0.00 WT4 H ATOM 51450 H2 TIP3 8068 70.266 58.621 -18.794 1.00 0.00 WT4 H ATOM 51451 OH2 TIP3 8069 37.219 42.733 -7.213 1.00 0.00 WT4 O ATOM 51452 H1 TIP3 8069 37.330 42.554 -8.147 1.00 0.00 WT4 H ATOM 51453 H2 TIP3 8069 37.620 43.592 -7.084 1.00 0.00 WT4 H ATOM 51454 OH2 TIP3 8070 72.534 72.607 39.219 1.00 0.00 WT4 O ATOM 51455 H1 TIP3 8070 71.996 72.934 39.940 1.00 0.00 WT4 H ATOM 51456 H2 TIP3 8070 71.930 72.099 38.678 1.00 0.00 WT4 H ATOM 51457 OH2 TIP3 8071 80.085 85.460 16.461 1.00 0.00 WT4 O ATOM 51458 H1 TIP3 8071 80.829 84.881 16.622 1.00 0.00 WT4 H ATOM 51459 H2 TIP3 8071 79.538 85.372 17.242 1.00 0.00 WT4 H ATOM 51460 OH2 TIP3 8075 48.732 69.698 29.084 1.00 0.00 WT4 O ATOM 51461 H1 TIP3 8075 48.441 69.003 29.674 1.00 0.00 WT4 H ATOM 51462 H2 TIP3 8075 49.199 69.240 28.386 1.00 0.00 WT4 H ATOM 51463 OH2 TIP3 8084 72.290 66.849 50.010 1.00 0.00 WT4 O ATOM 51464 H1 TIP3 8084 72.546 67.209 49.161 1.00 0.00 WT4 H ATOM 51465 H2 TIP3 8084 71.914 65.993 49.804 1.00 0.00 WT4 H ATOM 51466 OH2 TIP3 8085 64.918 83.977 45.616 1.00 0.00 WT4 O ATOM 51467 H1 TIP3 8085 65.333 84.103 44.763 1.00 0.00 WT4 H ATOM 51468 H2 TIP3 8085 65.244 83.130 45.919 1.00 0.00 WT4 H ATOM 51469 OH2 TIP3 8087 79.301 68.557 43.292 1.00 0.00 WT4 O ATOM 51470 H1 TIP3 8087 78.938 69.440 43.359 1.00 0.00 WT4 H ATOM 51471 H2 TIP3 8087 80.123 68.597 43.781 1.00 0.00 WT4 H ATOM 51472 OH2 TIP3 8088 26.602 90.453 38.029 1.00 0.00 WT4 O ATOM 51473 H1 TIP3 8088 27.537 90.363 37.844 1.00 0.00 WT4 H ATOM 51474 H2 TIP3 8088 26.220 90.741 37.200 1.00 0.00 WT4 H ATOM 51475 OH2 TIP3 8089 63.327 12.186 -10.192 1.00 0.00 WT4 O ATOM 51476 H1 TIP3 8089 63.221 13.137 -10.157 1.00 0.00 WT4 H ATOM 51477 H2 TIP3 8089 62.436 11.843 -10.125 1.00 0.00 WT4 H ATOM 51478 OH2 TIP3 8091 74.970 79.696 65.823 1.00 0.00 WT4 O ATOM 51479 H1 TIP3 8091 74.258 79.126 66.116 1.00 0.00 WT4 H ATOM 51480 H2 TIP3 8091 74.927 79.662 64.867 1.00 0.00 WT4 H ATOM 51481 OH2 TIP3 8092 88.755 21.409 -2.438 1.00 0.00 WT4 O ATOM 51482 H1 TIP3 8092 87.979 21.581 -2.972 1.00 0.00 WT4 H ATOM 51483 H2 TIP3 8092 88.412 21.001 -1.642 1.00 0.00 WT4 H ATOM 51484 OH2 TIP3 8093 46.446 79.235 39.616 1.00 0.00 WT4 O ATOM 51485 H1 TIP3 8093 45.954 79.186 38.796 1.00 0.00 WT4 H ATOM 51486 H2 TIP3 8093 45.914 79.794 40.182 1.00 0.00 WT4 H ATOM 51487 OH2 TIP3 8095 72.439 81.349 -15.483 1.00 0.00 WT4 O ATOM 51488 H1 TIP3 8095 72.078 82.225 -15.350 1.00 0.00 WT4 H ATOM 51489 H2 TIP3 8095 72.994 81.199 -14.718 1.00 0.00 WT4 H ATOM 51490 OH2 TIP3 8096 74.967 38.439 20.431 1.00 0.00 WT4 O ATOM 51491 H1 TIP3 8096 74.052 38.593 20.195 1.00 0.00 WT4 H ATOM 51492 H2 TIP3 8096 75.437 39.194 20.077 1.00 0.00 WT4 H ATOM 51493 OH2 TIP3 8104 47.626 42.857 50.522 1.00 0.00 WT4 O ATOM 51494 H1 TIP3 8104 47.738 43.048 51.453 1.00 0.00 WT4 H ATOM 51495 H2 TIP3 8104 48.076 42.022 50.392 1.00 0.00 WT4 H ATOM 51496 OH2 TIP3 8106 70.787 94.889 14.134 1.00 0.00 WT4 O ATOM 51497 H1 TIP3 8106 71.457 94.912 14.817 1.00 0.00 WT4 H ATOM 51498 H2 TIP3 8106 70.229 94.148 14.370 1.00 0.00 WT4 H ATOM 51499 OH2 TIP3 8107 73.050 69.613 37.371 1.00 0.00 WT4 O ATOM 51500 H1 TIP3 8107 72.447 69.075 36.859 1.00 0.00 WT4 H ATOM 51501 H2 TIP3 8107 73.268 70.345 36.794 1.00 0.00 WT4 H ATOM 51502 OH2 TIP3 8109 44.537 94.717 53.054 1.00 0.00 WT4 O ATOM 51503 H1 TIP3 8109 44.248 95.113 52.232 1.00 0.00 WT4 H ATOM 51504 H2 TIP3 8109 45.438 95.023 53.163 1.00 0.00 WT4 H ATOM 51505 OH2 TIP3 8110 78.707 90.559 41.609 1.00 0.00 WT4 O ATOM 51506 H1 TIP3 8110 77.835 90.223 41.399 1.00 0.00 WT4 H ATOM 51507 H2 TIP3 8110 78.935 91.115 40.864 1.00 0.00 WT4 H ATOM 51508 OH2 TIP3 8111 71.332 40.678 -4.518 1.00 0.00 WT4 O ATOM 51509 H1 TIP3 8111 70.453 40.995 -4.310 1.00 0.00 WT4 H ATOM 51510 H2 TIP3 8111 71.857 40.909 -3.751 1.00 0.00 WT4 H ATOM 51511 OH2 TIP3 8112 86.498 85.533 66.589 1.00 0.00 WT4 O ATOM 51512 H1 TIP3 8112 86.999 84.968 66.002 1.00 0.00 WT4 H ATOM 51513 H2 TIP3 8112 86.907 85.411 67.446 1.00 0.00 WT4 H ATOM 51514 OH2 TIP3 8113 48.879 78.744 36.651 1.00 0.00 WT4 O ATOM 51515 H1 TIP3 8113 49.336 78.316 37.374 1.00 0.00 WT4 H ATOM 51516 H2 TIP3 8113 48.779 78.059 35.990 1.00 0.00 WT4 H ATOM 51517 OH2 TIP3 8114 20.662 11.992 -15.618 1.00 0.00 WT4 O ATOM 51518 H1 TIP3 8114 20.066 11.635 -16.277 1.00 0.00 WT4 H ATOM 51519 H2 TIP3 8114 21.413 11.399 -15.628 1.00 0.00 WT4 H ATOM 51520 OH2 TIP3 8129 39.634 77.422 59.323 1.00 0.00 WT4 O ATOM 51521 H1 TIP3 8129 40.120 76.605 59.209 1.00 0.00 WT4 H ATOM 51522 H2 TIP3 8129 39.713 77.868 58.479 1.00 0.00 WT4 H ATOM 51523 OH2 TIP3 8135 31.499 60.741 -1.876 1.00 0.00 WT4 O ATOM 51524 H1 TIP3 8135 31.491 60.611 -0.927 1.00 0.00 WT4 H ATOM 51525 H2 TIP3 8135 31.611 59.862 -2.238 1.00 0.00 WT4 H ATOM 51526 OH2 TIP3 8150 52.365 65.314 51.952 1.00 0.00 WT4 O ATOM 51527 H1 TIP3 8150 52.240 65.527 51.027 1.00 0.00 WT4 H ATOM 51528 H2 TIP3 8150 52.056 66.090 52.420 1.00 0.00 WT4 H ATOM 51529 OH2 TIP3 8154 20.994 56.542 -17.757 1.00 0.00 WT4 O ATOM 51530 H1 TIP3 8154 20.570 57.398 -17.830 1.00 0.00 WT4 H ATOM 51531 H2 TIP3 8154 20.804 56.108 -18.588 1.00 0.00 WT4 H ATOM 51532 OH2 TIP3 8155 44.282 86.171 -17.611 1.00 0.00 WT4 O ATOM 51533 H1 TIP3 8155 44.818 86.206 -18.403 1.00 0.00 WT4 H ATOM 51534 H2 TIP3 8155 43.383 86.263 -17.925 1.00 0.00 WT4 H ATOM 51535 OH2 TIP3 8159 86.103 3.517 45.657 1.00 0.00 WT4 O ATOM 51536 H1 TIP3 8159 86.195 2.860 44.968 1.00 0.00 WT4 H ATOM 51537 H2 TIP3 8159 86.891 3.416 46.191 1.00 0.00 WT4 H ATOM 51538 OH2 TIP3 8174 26.371 91.662 -5.273 1.00 0.00 WT4 O ATOM 51539 H1 TIP3 8174 26.459 90.960 -5.917 1.00 0.00 WT4 H ATOM 51540 H2 TIP3 8174 26.221 91.209 -4.443 1.00 0.00 WT4 H ATOM 51541 OH2 TIP3 8178 39.962 84.104 43.773 1.00 0.00 WT4 O ATOM 51542 H1 TIP3 8178 39.351 83.804 43.100 1.00 0.00 WT4 H ATOM 51543 H2 TIP3 8178 40.770 83.621 43.597 1.00 0.00 WT4 H ATOM 51544 OH2 TIP3 8219 63.796 0.514 35.773 1.00 0.00 WT4 O ATOM 51545 H1 TIP3 8219 62.904 0.180 35.866 1.00 0.00 WT4 H ATOM 51546 H2 TIP3 8219 63.691 1.362 35.340 1.00 0.00 WT4 H ATOM 51547 OH2 TIP3 8319 71.794 24.065 53.881 1.00 0.00 WT4 O ATOM 51548 H1 TIP3 8319 72.017 23.149 54.049 1.00 0.00 WT4 H ATOM 51549 H2 TIP3 8319 72.639 24.503 53.779 1.00 0.00 WT4 H ATOM 51550 OH2 TIP3 8322 80.443 54.187 8.102 1.00 0.00 WT4 O ATOM 51551 H1 TIP3 8322 79.856 54.233 8.857 1.00 0.00 WT4 H ATOM 51552 H2 TIP3 8322 80.497 53.253 7.897 1.00 0.00 WT4 H ATOM 51553 OH2 TIP3 8324 50.591 46.161 44.977 1.00 0.00 WT4 O ATOM 51554 H1 TIP3 8324 50.986 47.033 44.944 1.00 0.00 WT4 H ATOM 51555 H2 TIP3 8324 49.755 46.259 44.522 1.00 0.00 WT4 H ATOM 51556 OH2 TIP3 8339 29.590 34.833 35.695 1.00 0.00 WT4 O ATOM 51557 H1 TIP3 8339 30.258 34.813 35.009 1.00 0.00 WT4 H ATOM 51558 H2 TIP3 8339 28.804 35.157 35.256 1.00 0.00 WT4 H ATOM 51559 OH2 TIP3 8345 47.863 70.086 50.493 1.00 0.00 WT4 O ATOM 51560 H1 TIP3 8345 48.079 69.426 49.834 1.00 0.00 WT4 H ATOM 51561 H2 TIP3 8345 46.916 70.204 50.413 1.00 0.00 WT4 H ATOM 51562 OH2 TIP3 8364 26.825 71.249 -14.335 1.00 0.00 WT4 O ATOM 51563 H1 TIP3 8364 26.627 70.317 -14.421 1.00 0.00 WT4 H ATOM 51564 H2 TIP3 8364 27.458 71.295 -13.619 1.00 0.00 WT4 H ATOM 51565 OH2 TIP3 8365 83.521 70.571 -18.490 1.00 0.00 WT4 O ATOM 51566 H1 TIP3 8365 83.134 70.275 -17.666 1.00 0.00 WT4 H ATOM 51567 H2 TIP3 8365 83.199 71.465 -18.599 1.00 0.00 WT4 H ATOM 51568 OH2 TIP3 8377 87.466 55.899 -7.970 1.00 0.00 WT4 O ATOM 51569 H1 TIP3 8377 87.048 55.055 -8.141 1.00 0.00 WT4 H ATOM 51570 H2 TIP3 8377 88.090 55.720 -7.266 1.00 0.00 WT4 H ATOM 51571 OH2 TIP3 8378 26.496 43.937 56.424 1.00 0.00 WT4 O ATOM 51572 H1 TIP3 8378 26.779 43.912 55.510 1.00 0.00 WT4 H ATOM 51573 H2 TIP3 8378 25.575 44.194 56.383 1.00 0.00 WT4 H ATOM 51574 OH2 TIP3 8381 85.382 79.553 -16.586 1.00 0.00 WT4 O ATOM 51575 H1 TIP3 8381 85.875 79.950 -15.868 1.00 0.00 WT4 H ATOM 51576 H2 TIP3 8381 84.554 79.281 -16.188 1.00 0.00 WT4 H ATOM 51577 OH2 TIP3 8382 45.708 71.081 -2.202 1.00 0.00 WT4 O ATOM 51578 H1 TIP3 8382 45.870 72.002 -1.999 1.00 0.00 WT4 H ATOM 51579 H2 TIP3 8382 45.603 70.661 -1.348 1.00 0.00 WT4 H ATOM 51580 OH2 TIP3 8384 89.201 86.506 -16.306 1.00 0.00 WT4 O ATOM 51581 H1 TIP3 8384 89.575 87.347 -16.568 1.00 0.00 WT4 H ATOM 51582 H2 TIP3 8384 89.926 86.038 -15.893 1.00 0.00 WT4 H ATOM 51583 OH2 TIP3 8386 78.247 4.884 64.662 1.00 0.00 WT4 O ATOM 51584 H1 TIP3 8386 78.896 5.587 64.687 1.00 0.00 WT4 H ATOM 51585 H2 TIP3 8386 77.742 5.051 63.866 1.00 0.00 WT4 H ATOM 51586 OH2 TIP3 8388 41.501 92.682 34.483 1.00 0.00 WT4 O ATOM 51587 H1 TIP3 8388 41.585 93.608 34.707 1.00 0.00 WT4 H ATOM 51588 H2 TIP3 8388 41.790 92.629 33.572 1.00 0.00 WT4 H ATOM 51589 OH2 TIP3 8389 83.963 50.189 7.370 1.00 0.00 WT4 O ATOM 51590 H1 TIP3 8389 84.268 50.974 7.825 1.00 0.00 WT4 H ATOM 51591 H2 TIP3 8389 83.952 50.436 6.445 1.00 0.00 WT4 H ATOM 51592 OH2 TIP3 8403 25.668 41.284 -3.893 1.00 0.00 WT4 O ATOM 51593 H1 TIP3 8403 24.984 40.924 -4.457 1.00 0.00 WT4 H ATOM 51594 H2 TIP3 8403 26.128 41.915 -4.446 1.00 0.00 WT4 H ATOM 51595 OH2 TIP3 8411 65.211 48.677 58.342 1.00 0.00 WT4 O ATOM 51596 H1 TIP3 8411 64.632 48.707 57.581 1.00 0.00 WT4 H ATOM 51597 H2 TIP3 8411 65.560 49.566 58.415 1.00 0.00 WT4 H ATOM 51598 OH2 TIP3 8421 45.799 7.210 41.661 1.00 0.00 WT4 O ATOM 51599 H1 TIP3 8421 46.095 6.360 41.334 1.00 0.00 WT4 H ATOM 51600 H2 TIP3 8421 46.231 7.849 41.093 1.00 0.00 WT4 H ATOM 51601 OH2 TIP3 8425 77.368 82.894 30.523 1.00 0.00 WT4 O ATOM 51602 H1 TIP3 8425 76.737 82.419 29.982 1.00 0.00 WT4 H ATOM 51603 H2 TIP3 8425 77.391 83.775 30.149 1.00 0.00 WT4 H ATOM 51604 OH2 TIP3 8427 64.002 62.470 66.007 1.00 0.00 WT4 O ATOM 51605 H1 TIP3 8427 63.947 62.859 65.134 1.00 0.00 WT4 H ATOM 51606 H2 TIP3 8427 63.098 62.248 66.229 1.00 0.00 WT4 H ATOM 51607 OH2 TIP3 8428 79.642 18.866 44.343 1.00 0.00 WT4 O ATOM 51608 H1 TIP3 8428 79.884 19.619 43.803 1.00 0.00 WT4 H ATOM 51609 H2 TIP3 8428 79.496 18.158 43.716 1.00 0.00 WT4 H ATOM 51610 OH2 TIP3 8431 79.055 58.676 37.175 1.00 0.00 WT4 O ATOM 51611 H1 TIP3 8431 78.474 58.489 37.912 1.00 0.00 WT4 H ATOM 51612 H2 TIP3 8431 78.615 59.377 36.694 1.00 0.00 WT4 H ATOM 51613 OH2 TIP3 8441 63.253 41.454 26.570 1.00 0.00 WT4 O ATOM 51614 H1 TIP3 8441 62.518 42.044 26.405 1.00 0.00 WT4 H ATOM 51615 H2 TIP3 8441 62.969 40.611 26.215 1.00 0.00 WT4 H ATOM 51616 OH2 TIP3 8442 24.039 68.971 -15.823 1.00 0.00 WT4 O ATOM 51617 H1 TIP3 8442 23.904 69.229 -16.735 1.00 0.00 WT4 H ATOM 51618 H2 TIP3 8442 23.465 69.551 -15.322 1.00 0.00 WT4 H ATOM 51619 OH2 TIP3 8444 78.174 64.545 47.727 1.00 0.00 WT4 O ATOM 51620 H1 TIP3 8444 78.903 65.056 47.373 1.00 0.00 WT4 H ATOM 51621 H2 TIP3 8444 78.539 63.671 47.866 1.00 0.00 WT4 H ATOM 51622 OH2 TIP3 8445 70.918 78.252 -1.834 1.00 0.00 WT4 O ATOM 51623 H1 TIP3 8445 70.757 77.504 -2.410 1.00 0.00 WT4 H ATOM 51624 H2 TIP3 8445 70.046 78.534 -1.558 1.00 0.00 WT4 H ATOM 51625 OH2 TIP3 8446 67.711 11.885 49.531 1.00 0.00 WT4 O ATOM 51626 H1 TIP3 8446 67.086 11.166 49.618 1.00 0.00 WT4 H ATOM 51627 H2 TIP3 8446 67.324 12.462 48.872 1.00 0.00 WT4 H ATOM 51628 OH2 TIP3 8447 25.626 83.672 45.328 1.00 0.00 WT4 O ATOM 51629 H1 TIP3 8447 25.095 84.116 44.667 1.00 0.00 WT4 H ATOM 51630 H2 TIP3 8447 26.143 83.036 44.834 1.00 0.00 WT4 H ATOM 51631 OH2 TIP3 8449 46.747 73.520 56.188 1.00 0.00 WT4 O ATOM 51632 H1 TIP3 8449 46.134 73.111 55.577 1.00 0.00 WT4 H ATOM 51633 H2 TIP3 8449 46.808 74.429 55.893 1.00 0.00 WT4 H ATOM 51634 OH2 TIP3 8455 67.995 27.558 32.568 1.00 0.00 WT4 O ATOM 51635 H1 TIP3 8455 68.542 27.158 31.892 1.00 0.00 WT4 H ATOM 51636 H2 TIP3 8455 68.589 27.695 33.306 1.00 0.00 WT4 H ATOM 51637 OH2 TIP3 8462 77.002 4.084 35.109 1.00 0.00 WT4 O ATOM 51638 H1 TIP3 8462 77.209 4.278 34.194 1.00 0.00 WT4 H ATOM 51639 H2 TIP3 8462 77.187 3.150 35.204 1.00 0.00 WT4 H ATOM 51640 OH2 TIP3 8463 86.811 94.833 36.307 1.00 0.00 WT4 O ATOM 51641 H1 TIP3 8463 86.106 94.624 35.694 1.00 0.00 WT4 H ATOM 51642 H2 TIP3 8463 87.501 94.201 36.102 1.00 0.00 WT4 H ATOM 51643 OH2 TIP3 8465 32.477 76.654 -19.023 1.00 0.00 WT4 O ATOM 51644 H1 TIP3 8465 32.992 75.858 -18.893 1.00 0.00 WT4 H ATOM 51645 H2 TIP3 8465 31.737 76.563 -18.422 1.00 0.00 WT4 H ATOM 51646 OH2 TIP3 8466 85.175 16.844 -1.757 1.00 0.00 WT4 O ATOM 51647 H1 TIP3 8466 85.646 17.060 -0.952 1.00 0.00 WT4 H ATOM 51648 H2 TIP3 8466 84.452 16.286 -1.471 1.00 0.00 WT4 H ATOM 51649 OH2 TIP3 8468 86.718 94.128 14.141 1.00 0.00 WT4 O ATOM 51650 H1 TIP3 8468 85.787 93.965 13.986 1.00 0.00 WT4 H ATOM 51651 H2 TIP3 8468 86.959 93.506 14.828 1.00 0.00 WT4 H ATOM 51652 OH2 TIP3 8486 81.087 83.428 -10.349 1.00 0.00 WT4 O ATOM 51653 H1 TIP3 8486 81.780 83.371 -11.006 1.00 0.00 WT4 H ATOM 51654 H2 TIP3 8486 81.239 84.265 -9.910 1.00 0.00 WT4 H ATOM 51655 OH2 TIP3 8487 59.538 76.163 -6.940 1.00 0.00 WT4 O ATOM 51656 H1 TIP3 8487 60.272 75.549 -6.930 1.00 0.00 WT4 H ATOM 51657 H2 TIP3 8487 58.761 75.610 -6.859 1.00 0.00 WT4 H ATOM 51658 OH2 TIP3 8489 61.359 91.057 40.701 1.00 0.00 WT4 O ATOM 51659 H1 TIP3 8489 61.616 91.026 41.622 1.00 0.00 WT4 H ATOM 51660 H2 TIP3 8489 60.602 90.474 40.642 1.00 0.00 WT4 H ATOM 51661 OH2 TIP3 8490 82.059 36.568 40.380 1.00 0.00 WT4 O ATOM 51662 H1 TIP3 8490 82.763 36.037 40.008 1.00 0.00 WT4 H ATOM 51663 H2 TIP3 8490 82.509 37.226 40.910 1.00 0.00 WT4 H ATOM 51664 OH2 TIP3 8505 83.023 61.719 53.166 1.00 0.00 WT4 O ATOM 51665 H1 TIP3 8505 83.546 61.110 52.645 1.00 0.00 WT4 H ATOM 51666 H2 TIP3 8505 82.127 61.388 53.095 1.00 0.00 WT4 H ATOM 51667 OH2 TIP3 8506 63.808 73.938 49.966 1.00 0.00 WT4 O ATOM 51668 H1 TIP3 8506 64.189 74.810 50.073 1.00 0.00 WT4 H ATOM 51669 H2 TIP3 8506 62.874 74.099 49.835 1.00 0.00 WT4 H ATOM 51670 OH2 TIP3 8507 69.785 1.955 16.547 1.00 0.00 WT4 O ATOM 51671 H1 TIP3 8507 70.479 1.331 16.335 1.00 0.00 WT4 H ATOM 51672 H2 TIP3 8507 69.864 2.091 17.492 1.00 0.00 WT4 H ATOM 51673 OH2 TIP3 8508 40.930 12.354 64.725 1.00 0.00 WT4 O ATOM 51674 H1 TIP3 8508 41.835 12.622 64.564 1.00 0.00 WT4 H ATOM 51675 H2 TIP3 8508 40.446 12.671 63.963 1.00 0.00 WT4 H ATOM 51676 OH2 TIP3 8509 31.410 47.420 12.442 1.00 0.00 WT4 O ATOM 51677 H1 TIP3 8509 31.030 46.759 11.864 1.00 0.00 WT4 H ATOM 51678 H2 TIP3 8509 30.665 47.763 12.936 1.00 0.00 WT4 H ATOM 51679 OH2 TIP3 8513 63.226 30.772 -14.826 1.00 0.00 WT4 O ATOM 51680 H1 TIP3 8513 62.406 30.603 -15.290 1.00 0.00 WT4 H ATOM 51681 H2 TIP3 8513 63.107 30.361 -13.970 1.00 0.00 WT4 H ATOM 51682 OH2 TIP3 8515 77.517 29.307 55.733 1.00 0.00 WT4 O ATOM 51683 H1 TIP3 8515 78.014 28.554 55.415 1.00 0.00 WT4 H ATOM 51684 H2 TIP3 8515 76.966 28.954 56.432 1.00 0.00 WT4 H ATOM 51685 OH2 TIP3 8516 53.052 20.052 -14.197 1.00 0.00 WT4 O ATOM 51686 H1 TIP3 8516 53.176 19.110 -14.077 1.00 0.00 WT4 H ATOM 51687 H2 TIP3 8516 53.753 20.454 -13.683 1.00 0.00 WT4 H ATOM 51688 OH2 TIP3 8528 72.220 9.577 43.064 1.00 0.00 WT4 O ATOM 51689 H1 TIP3 8528 71.434 10.060 42.807 1.00 0.00 WT4 H ATOM 51690 H2 TIP3 8528 71.903 8.907 43.670 1.00 0.00 WT4 H ATOM 51691 OH2 TIP3 8529 31.905 69.119 48.088 1.00 0.00 WT4 O ATOM 51692 H1 TIP3 8529 31.788 68.322 48.606 1.00 0.00 WT4 H ATOM 51693 H2 TIP3 8529 31.965 68.811 47.184 1.00 0.00 WT4 H ATOM 51694 OH2 TIP3 8530 21.226 85.171 57.494 1.00 0.00 WT4 O ATOM 51695 H1 TIP3 8530 20.682 85.882 57.156 1.00 0.00 WT4 H ATOM 51696 H2 TIP3 8530 22.039 85.599 57.765 1.00 0.00 WT4 H ATOM 51697 OH2 TIP3 8531 41.967 83.736 -5.270 1.00 0.00 WT4 O ATOM 51698 H1 TIP3 8531 42.270 83.484 -4.398 1.00 0.00 WT4 H ATOM 51699 H2 TIP3 8531 41.525 82.956 -5.605 1.00 0.00 WT4 H ATOM 51700 OH2 TIP3 8532 85.583 6.299 -17.001 1.00 0.00 WT4 O ATOM 51701 H1 TIP3 8532 86.300 6.058 -16.414 1.00 0.00 WT4 H ATOM 51702 H2 TIP3 8532 85.785 7.194 -17.272 1.00 0.00 WT4 H ATOM 51703 OH2 TIP3 8534 51.729 61.486 -10.204 1.00 0.00 WT4 O ATOM 51704 H1 TIP3 8534 51.250 61.148 -9.448 1.00 0.00 WT4 H ATOM 51705 H2 TIP3 8534 51.049 61.691 -10.847 1.00 0.00 WT4 H ATOM 51706 OH2 TIP3 8535 54.070 68.788 -8.439 1.00 0.00 WT4 O ATOM 51707 H1 TIP3 8535 54.028 69.279 -7.619 1.00 0.00 WT4 H ATOM 51708 H2 TIP3 8535 54.166 67.875 -8.168 1.00 0.00 WT4 H ATOM 51709 OH2 TIP3 8536 43.187 53.636 47.249 1.00 0.00 WT4 O ATOM 51710 H1 TIP3 8536 43.670 54.010 46.512 1.00 0.00 WT4 H ATOM 51711 H2 TIP3 8536 43.805 53.028 47.656 1.00 0.00 WT4 H ATOM 51712 OH2 TIP3 8539 66.795 70.584 25.661 1.00 0.00 WT4 O ATOM 51713 H1 TIP3 8539 65.962 70.903 26.007 1.00 0.00 WT4 H ATOM 51714 H2 TIP3 8539 66.597 70.324 24.761 1.00 0.00 WT4 H ATOM 51715 OH2 TIP3 8543 25.366 12.755 -12.864 1.00 0.00 WT4 O ATOM 51716 H1 TIP3 8543 25.267 12.760 -13.816 1.00 0.00 WT4 H ATOM 51717 H2 TIP3 8543 24.488 12.571 -12.531 1.00 0.00 WT4 H ATOM 51718 OH2 TIP3 8548 74.135 78.002 21.303 1.00 0.00 WT4 O ATOM 51719 H1 TIP3 8548 74.003 77.170 21.758 1.00 0.00 WT4 H ATOM 51720 H2 TIP3 8548 74.490 78.587 21.972 1.00 0.00 WT4 H ATOM 51721 OH2 TIP3 8549 29.513 10.933 11.177 1.00 0.00 WT4 O ATOM 51722 H1 TIP3 8549 29.687 11.869 11.282 1.00 0.00 WT4 H ATOM 51723 H2 TIP3 8549 28.771 10.894 10.574 1.00 0.00 WT4 H ATOM 51724 OH2 TIP3 8550 25.667 43.792 50.191 1.00 0.00 WT4 O ATOM 51725 H1 TIP3 8550 26.448 43.993 49.675 1.00 0.00 WT4 H ATOM 51726 H2 TIP3 8550 25.213 44.631 50.276 1.00 0.00 WT4 H ATOM 51727 OH2 TIP3 8554 60.084 0.143 -7.678 1.00 0.00 WT4 O ATOM 51728 H1 TIP3 8554 59.909 0.683 -6.907 1.00 0.00 WT4 H ATOM 51729 H2 TIP3 8554 60.866 -0.358 -7.448 1.00 0.00 WT4 H ATOM 51730 OH2 TIP3 8556 75.252 80.516 39.586 1.00 0.00 WT4 O ATOM 51731 H1 TIP3 8556 75.895 79.812 39.498 1.00 0.00 WT4 H ATOM 51732 H2 TIP3 8556 74.461 80.171 39.174 1.00 0.00 WT4 H ATOM 51733 OH2 TIP3 8558 57.656 73.755 60.137 1.00 0.00 WT4 O ATOM 51734 H1 TIP3 8558 58.011 73.663 61.021 1.00 0.00 WT4 H ATOM 51735 H2 TIP3 8558 58.417 73.960 59.593 1.00 0.00 WT4 H ATOM 51736 OH2 TIP3 8571 74.164 4.399 2.364 1.00 0.00 WT4 O ATOM 51737 H1 TIP3 8571 73.581 4.929 1.821 1.00 0.00 WT4 H ATOM 51738 H2 TIP3 8571 74.635 3.846 1.740 1.00 0.00 WT4 H ATOM 51739 OH2 TIP3 8573 72.062 89.669 43.828 1.00 0.00 WT4 O ATOM 51740 H1 TIP3 8573 71.593 90.468 43.589 1.00 0.00 WT4 H ATOM 51741 H2 TIP3 8573 71.431 89.164 44.342 1.00 0.00 WT4 H ATOM 51742 OH2 TIP3 8574 34.840 67.391 5.063 1.00 0.00 WT4 O ATOM 51743 H1 TIP3 8574 35.077 68.171 5.564 1.00 0.00 WT4 H ATOM 51744 H2 TIP3 8574 35.397 66.699 5.418 1.00 0.00 WT4 H ATOM 51745 OH2 TIP3 8590 74.256 94.901 41.704 1.00 0.00 WT4 O ATOM 51746 H1 TIP3 8590 73.940 95.794 41.568 1.00 0.00 WT4 H ATOM 51747 H2 TIP3 8590 75.189 94.942 41.495 1.00 0.00 WT4 H ATOM 51748 OH2 TIP3 8594 64.689 0.733 38.558 1.00 0.00 WT4 O ATOM 51749 H1 TIP3 8594 64.178 0.327 37.859 1.00 0.00 WT4 H ATOM 51750 H2 TIP3 8594 65.566 0.832 38.187 1.00 0.00 WT4 H ATOM 51751 OH2 TIP3 8632 59.862 47.559 59.585 1.00 0.00 WT4 O ATOM 51752 H1 TIP3 8632 60.482 48.278 59.467 1.00 0.00 WT4 H ATOM 51753 H2 TIP3 8632 59.885 47.374 60.524 1.00 0.00 WT4 H ATOM 51754 OH2 TIP3 8638 22.617 83.797 -18.822 1.00 0.00 WT4 O ATOM 51755 H1 TIP3 8638 22.137 83.851 -19.648 1.00 0.00 WT4 H ATOM 51756 H2 TIP3 8638 22.938 82.896 -18.789 1.00 0.00 WT4 H ATOM 51757 OH2 TIP3 8640 89.380 32.691 35.828 1.00 0.00 WT4 O ATOM 51758 H1 TIP3 8640 88.800 33.001 36.524 1.00 0.00 WT4 H ATOM 51759 H2 TIP3 8640 90.210 32.512 36.270 1.00 0.00 WT4 H ATOM 51760 OH2 TIP3 8760 76.276 64.844 -16.461 1.00 0.00 WT4 O ATOM 51761 H1 TIP3 8760 76.994 64.868 -15.828 1.00 0.00 WT4 H ATOM 51762 H2 TIP3 8760 75.597 65.397 -16.075 1.00 0.00 WT4 H ATOM 51763 OH2 TIP3 8777 65.195 1.211 53.790 1.00 0.00 WT4 O ATOM 51764 H1 TIP3 8777 64.947 0.333 54.079 1.00 0.00 WT4 H ATOM 51765 H2 TIP3 8777 64.654 1.370 53.016 1.00 0.00 WT4 H ATOM 51766 OH2 TIP3 8780 55.283 93.324 -0.900 1.00 0.00 WT4 O ATOM 51767 H1 TIP3 8780 56.214 93.206 -0.711 1.00 0.00 WT4 H ATOM 51768 H2 TIP3 8780 54.903 92.452 -0.786 1.00 0.00 WT4 H ATOM 51769 OH2 TIP3 8790 88.659 10.383 -3.938 1.00 0.00 WT4 O ATOM 51770 H1 TIP3 8790 88.214 11.110 -3.502 1.00 0.00 WT4 H ATOM 51771 H2 TIP3 8790 87.979 9.972 -4.473 1.00 0.00 WT4 H ATOM 51772 OH2 TIP3 8801 27.856 94.818 42.104 1.00 0.00 WT4 O ATOM 51773 H1 TIP3 8801 28.053 95.609 41.602 1.00 0.00 WT4 H ATOM 51774 H2 TIP3 8801 26.952 94.605 41.872 1.00 0.00 WT4 H ATOM 51775 OH2 TIP3 8802 83.638 85.700 -19.941 1.00 0.00 WT4 O ATOM 51776 H1 TIP3 8802 84.535 85.984 -19.768 1.00 0.00 WT4 H ATOM 51777 H2 TIP3 8802 83.532 84.906 -19.417 1.00 0.00 WT4 H ATOM 51778 OH2 TIP3 8803 20.699 84.418 32.277 1.00 0.00 WT4 O ATOM 51779 H1 TIP3 8803 19.889 84.918 32.183 1.00 0.00 WT4 H ATOM 51780 H2 TIP3 8803 21.255 84.964 32.834 1.00 0.00 WT4 H ATOM 51781 OH2 TIP3 8807 53.526 5.316 29.137 1.00 0.00 WT4 O ATOM 51782 H1 TIP3 8807 54.273 5.132 29.707 1.00 0.00 WT4 H ATOM 51783 H2 TIP3 8807 52.910 4.604 29.312 1.00 0.00 WT4 H ATOM 51784 OH2 TIP3 8820 43.943 27.075 44.276 1.00 0.00 WT4 O ATOM 51785 H1 TIP3 8820 43.505 27.792 43.818 1.00 0.00 WT4 H ATOM 51786 H2 TIP3 8820 44.653 27.498 44.760 1.00 0.00 WT4 H ATOM 51787 OH2 TIP3 8822 83.156 7.757 4.139 1.00 0.00 WT4 O ATOM 51788 H1 TIP3 8822 83.110 6.804 4.212 1.00 0.00 WT4 H ATOM 51789 H2 TIP3 8822 84.093 7.951 4.109 1.00 0.00 WT4 H ATOM 51790 OH2 TIP3 8823 21.992 46.861 -0.513 1.00 0.00 WT4 O ATOM 51791 H1 TIP3 8823 21.195 47.322 -0.252 1.00 0.00 WT4 H ATOM 51792 H2 TIP3 8823 22.556 46.900 0.259 1.00 0.00 WT4 H ATOM 51793 OH2 TIP3 8829 90.135 58.865 40.869 1.00 0.00 WT4 O ATOM 51794 H1 TIP3 8829 89.224 58.886 40.576 1.00 0.00 WT4 H ATOM 51795 H2 TIP3 8829 90.521 58.125 40.400 1.00 0.00 WT4 H ATOM 51796 OH2 TIP3 8830 23.685 53.663 -2.970 1.00 0.00 WT4 O ATOM 51797 H1 TIP3 8830 23.300 53.874 -3.821 1.00 0.00 WT4 H ATOM 51798 H2 TIP3 8830 24.187 54.443 -2.734 1.00 0.00 WT4 H ATOM 51799 OH2 TIP3 8842 60.559 36.783 1.482 1.00 0.00 WT4 O ATOM 51800 H1 TIP3 8842 59.825 37.130 1.990 1.00 0.00 WT4 H ATOM 51801 H2 TIP3 8842 60.370 37.042 0.580 1.00 0.00 WT4 H ATOM 51802 OH2 TIP3 8843 42.594 60.589 48.104 1.00 0.00 WT4 O ATOM 51803 H1 TIP3 8843 42.513 61.531 48.251 1.00 0.00 WT4 H ATOM 51804 H2 TIP3 8843 43.221 60.511 47.385 1.00 0.00 WT4 H ATOM 51805 OH2 TIP3 8844 68.913 94.309 -16.349 1.00 0.00 WT4 O ATOM 51806 H1 TIP3 8844 68.841 95.154 -16.792 1.00 0.00 WT4 H ATOM 51807 H2 TIP3 8844 68.063 94.186 -15.926 1.00 0.00 WT4 H ATOM 51808 OH2 TIP3 8845 77.885 41.227 38.824 1.00 0.00 WT4 O ATOM 51809 H1 TIP3 8845 78.741 40.798 38.839 1.00 0.00 WT4 H ATOM 51810 H2 TIP3 8845 77.376 40.725 38.188 1.00 0.00 WT4 H ATOM 51811 OH2 TIP3 8846 52.938 31.887 45.209 1.00 0.00 WT4 O ATOM 51812 H1 TIP3 8846 52.154 31.400 45.462 1.00 0.00 WT4 H ATOM 51813 H2 TIP3 8846 53.311 31.383 44.486 1.00 0.00 WT4 H ATOM 51814 OH2 TIP3 8847 86.560 50.133 -13.162 1.00 0.00 WT4 O ATOM 51815 H1 TIP3 8847 87.000 49.308 -12.959 1.00 0.00 WT4 H ATOM 51816 H2 TIP3 8847 87.221 50.653 -13.619 1.00 0.00 WT4 H ATOM 51817 OH2 TIP3 8849 55.973 62.487 37.238 1.00 0.00 WT4 O ATOM 51818 H1 TIP3 8849 55.587 61.777 37.751 1.00 0.00 WT4 H ATOM 51819 H2 TIP3 8849 55.587 62.392 36.368 1.00 0.00 WT4 H ATOM 51820 OH2 TIP3 8863 68.047 74.457 -17.559 1.00 0.00 WT4 O ATOM 51821 H1 TIP3 8863 67.964 74.253 -18.491 1.00 0.00 WT4 H ATOM 51822 H2 TIP3 8863 68.708 73.844 -17.237 1.00 0.00 WT4 H ATOM 51823 OH2 TIP3 8865 70.784 84.831 27.849 1.00 0.00 WT4 O ATOM 51824 H1 TIP3 8865 71.061 84.578 26.969 1.00 0.00 WT4 H ATOM 51825 H2 TIP3 8865 69.842 84.982 27.771 1.00 0.00 WT4 H ATOM 51826 OH2 TIP3 8866 39.410 72.778 61.589 1.00 0.00 WT4 O ATOM 51827 H1 TIP3 8866 40.238 73.191 61.342 1.00 0.00 WT4 H ATOM 51828 H2 TIP3 8866 39.532 72.521 62.502 1.00 0.00 WT4 H ATOM 51829 OH2 TIP3 8867 36.113 55.073 13.345 1.00 0.00 WT4 O ATOM 51830 H1 TIP3 8867 36.491 55.901 13.049 1.00 0.00 WT4 H ATOM 51831 H2 TIP3 8867 36.723 54.754 14.009 1.00 0.00 WT4 H ATOM 51832 OH2 TIP3 8869 39.410 79.040 20.887 1.00 0.00 WT4 O ATOM 51833 H1 TIP3 8869 40.274 78.679 21.089 1.00 0.00 WT4 H ATOM 51834 H2 TIP3 8869 39.005 78.388 20.315 1.00 0.00 WT4 H ATOM 51835 OH2 TIP3 8883 61.728 76.804 22.620 1.00 0.00 WT4 O ATOM 51836 H1 TIP3 8883 62.080 76.135 22.033 1.00 0.00 WT4 H ATOM 51837 H2 TIP3 8883 61.860 77.628 22.150 1.00 0.00 WT4 H ATOM 51838 OH2 TIP3 8884 47.416 94.317 -16.266 1.00 0.00 WT4 O ATOM 51839 H1 TIP3 8884 47.568 93.387 -16.433 1.00 0.00 WT4 H ATOM 51840 H2 TIP3 8884 46.496 94.455 -16.493 1.00 0.00 WT4 H ATOM 51841 OH2 TIP3 8885 66.401 48.430 34.205 1.00 0.00 WT4 O ATOM 51842 H1 TIP3 8885 65.745 48.980 33.776 1.00 0.00 WT4 H ATOM 51843 H2 TIP3 8885 65.914 47.658 34.494 1.00 0.00 WT4 H ATOM 51844 OH2 TIP3 8886 27.956 85.596 11.582 1.00 0.00 WT4 O ATOM 51845 H1 TIP3 8886 27.941 84.702 11.922 1.00 0.00 WT4 H ATOM 51846 H2 TIP3 8886 27.878 85.493 10.633 1.00 0.00 WT4 H ATOM 51847 OH2 TIP3 8887 24.044 72.857 47.394 1.00 0.00 WT4 O ATOM 51848 H1 TIP3 8887 24.525 72.876 46.566 1.00 0.00 WT4 H ATOM 51849 H2 TIP3 8887 23.376 72.183 47.267 1.00 0.00 WT4 H ATOM 51850 OH2 TIP3 8901 24.749 50.546 39.364 1.00 0.00 WT4 O ATOM 51851 H1 TIP3 8901 24.426 51.127 38.675 1.00 0.00 WT4 H ATOM 51852 H2 TIP3 8901 25.225 51.124 39.961 1.00 0.00 WT4 H ATOM 51853 OH2 TIP3 8903 64.875 37.793 26.043 1.00 0.00 WT4 O ATOM 51854 H1 TIP3 8903 65.291 37.659 25.191 1.00 0.00 WT4 H ATOM 51855 H2 TIP3 8903 65.603 37.942 26.646 1.00 0.00 WT4 H ATOM 51856 OH2 TIP3 8905 28.789 37.884 54.336 1.00 0.00 WT4 O ATOM 51857 H1 TIP3 8905 28.956 37.602 53.437 1.00 0.00 WT4 H ATOM 51858 H2 TIP3 8905 27.848 38.059 54.362 1.00 0.00 WT4 H ATOM 51859 OH2 TIP3 8907 62.906 53.475 -8.546 1.00 0.00 WT4 O ATOM 51860 H1 TIP3 8907 63.795 53.770 -8.743 1.00 0.00 WT4 H ATOM 51861 H2 TIP3 8907 62.936 52.526 -8.667 1.00 0.00 WT4 H ATOM 51862 OH2 TIP3 8911 73.728 67.200 44.427 1.00 0.00 WT4 O ATOM 51863 H1 TIP3 8911 74.160 66.345 44.411 1.00 0.00 WT4 H ATOM 51864 H2 TIP3 8911 74.173 67.706 43.748 1.00 0.00 WT4 H ATOM 51865 OH2 TIP3 8913 25.029 88.863 45.909 1.00 0.00 WT4 O ATOM 51866 H1 TIP3 8913 25.244 88.401 45.099 1.00 0.00 WT4 H ATOM 51867 H2 TIP3 8913 25.165 89.787 45.701 1.00 0.00 WT4 H ATOM 51868 OH2 TIP3 8914 77.571 95.124 42.784 1.00 0.00 WT4 O ATOM 51869 H1 TIP3 8914 77.485 95.959 42.324 1.00 0.00 WT4 H ATOM 51870 H2 TIP3 8914 78.336 94.708 42.385 1.00 0.00 WT4 H ATOM 51871 OH2 TIP3 8925 59.636 82.412 40.044 1.00 0.00 WT4 O ATOM 51872 H1 TIP3 8925 59.244 82.706 39.222 1.00 0.00 WT4 H ATOM 51873 H2 TIP3 8925 60.530 82.164 39.807 1.00 0.00 WT4 H ATOM 51874 OH2 TIP3 8926 29.512 78.591 46.501 1.00 0.00 WT4 O ATOM 51875 H1 TIP3 8926 29.256 78.503 47.419 1.00 0.00 WT4 H ATOM 51876 H2 TIP3 8926 30.429 78.863 46.533 1.00 0.00 WT4 H ATOM 51877 OH2 TIP3 8927 87.571 84.999 43.197 1.00 0.00 WT4 O ATOM 51878 H1 TIP3 8927 86.711 85.210 42.835 1.00 0.00 WT4 H ATOM 51879 H2 TIP3 8927 87.633 85.526 43.994 1.00 0.00 WT4 H ATOM 51880 OH2 TIP3 8929 55.375 14.330 63.279 1.00 0.00 WT4 O ATOM 51881 H1 TIP3 8929 55.586 14.835 64.064 1.00 0.00 WT4 H ATOM 51882 H2 TIP3 8929 55.025 13.503 63.612 1.00 0.00 WT4 H ATOM 51883 OH2 TIP3 8930 41.691 76.646 2.958 1.00 0.00 WT4 O ATOM 51884 H1 TIP3 8930 41.380 75.960 3.549 1.00 0.00 WT4 H ATOM 51885 H2 TIP3 8930 42.516 76.307 2.609 1.00 0.00 WT4 H ATOM 51886 OH2 TIP3 8931 80.003 69.584 -2.909 1.00 0.00 WT4 O ATOM 51887 H1 TIP3 8931 80.018 70.182 -3.656 1.00 0.00 WT4 H ATOM 51888 H2 TIP3 8931 79.449 70.022 -2.263 1.00 0.00 WT4 H ATOM 51889 OH2 TIP3 8932 84.816 44.265 5.793 1.00 0.00 WT4 O ATOM 51890 H1 TIP3 8932 84.979 43.613 5.111 1.00 0.00 WT4 H ATOM 51891 H2 TIP3 8932 84.250 43.817 6.422 1.00 0.00 WT4 H ATOM 51892 OH2 TIP3 8935 26.471 19.430 67.251 1.00 0.00 WT4 O ATOM 51893 H1 TIP3 8935 27.045 19.589 66.502 1.00 0.00 WT4 H ATOM 51894 H2 TIP3 8935 26.033 18.604 67.047 1.00 0.00 WT4 H ATOM 51895 OH2 TIP3 8944 42.616 68.773 33.976 1.00 0.00 WT4 O ATOM 51896 H1 TIP3 8944 43.418 68.883 34.486 1.00 0.00 WT4 H ATOM 51897 H2 TIP3 8944 42.807 68.049 33.380 1.00 0.00 WT4 H ATOM 51898 OH2 TIP3 8949 59.177 42.243 -15.521 1.00 0.00 WT4 O ATOM 51899 H1 TIP3 8949 59.970 42.662 -15.186 1.00 0.00 WT4 H ATOM 51900 H2 TIP3 8949 59.490 41.648 -16.202 1.00 0.00 WT4 H ATOM 51901 OH2 TIP3 8951 23.265 69.309 21.030 1.00 0.00 WT4 O ATOM 51902 H1 TIP3 8951 22.361 69.290 21.345 1.00 0.00 WT4 H ATOM 51903 H2 TIP3 8951 23.350 70.159 20.598 1.00 0.00 WT4 H ATOM 51904 OH2 TIP3 8953 72.485 55.849 17.163 1.00 0.00 WT4 O ATOM 51905 H1 TIP3 8953 71.541 55.783 17.023 1.00 0.00 WT4 H ATOM 51906 H2 TIP3 8953 72.694 55.116 17.741 1.00 0.00 WT4 H ATOM 51907 OH2 TIP3 8954 64.656 77.760 30.730 1.00 0.00 WT4 O ATOM 51908 H1 TIP3 8954 65.375 77.998 30.144 1.00 0.00 WT4 H ATOM 51909 H2 TIP3 8954 64.664 76.803 30.743 1.00 0.00 WT4 H ATOM 51910 OH2 TIP3 8969 22.851 15.865 59.694 1.00 0.00 WT4 O ATOM 51911 H1 TIP3 8969 23.553 15.595 59.102 1.00 0.00 WT4 H ATOM 51912 H2 TIP3 8969 22.309 16.456 59.170 1.00 0.00 WT4 H ATOM 51913 OH2 TIP3 8970 56.716 91.106 -15.526 1.00 0.00 WT4 O ATOM 51914 H1 TIP3 8970 56.555 90.187 -15.740 1.00 0.00 WT4 H ATOM 51915 H2 TIP3 8970 56.738 91.549 -16.373 1.00 0.00 WT4 H ATOM 51916 OH2 TIP3 8972 24.308 19.128 59.601 1.00 0.00 WT4 O ATOM 51917 H1 TIP3 8972 24.581 18.727 60.426 1.00 0.00 WT4 H ATOM 51918 H2 TIP3 8972 24.456 18.448 58.943 1.00 0.00 WT4 H ATOM 51919 OH2 TIP3 8973 48.936 56.547 65.970 1.00 0.00 WT4 O ATOM 51920 H1 TIP3 8973 49.318 57.001 66.721 1.00 0.00 WT4 H ATOM 51921 H2 TIP3 8973 49.141 57.108 65.221 1.00 0.00 WT4 H ATOM 51922 OH2 TIP3 8974 31.431 81.757 58.976 1.00 0.00 WT4 O ATOM 51923 H1 TIP3 8974 31.296 82.454 58.335 1.00 0.00 WT4 H ATOM 51924 H2 TIP3 8974 31.518 80.961 58.451 1.00 0.00 WT4 H ATOM 51925 OH2 TIP3 8975 67.524 25.107 13.464 1.00 0.00 WT4 O ATOM 51926 H1 TIP3 8975 68.099 25.450 14.148 1.00 0.00 WT4 H ATOM 51927 H2 TIP3 8975 66.641 25.204 13.821 1.00 0.00 WT4 H ATOM 51928 OH2 TIP3 8976 43.116 11.763 4.222 1.00 0.00 WT4 O ATOM 51929 H1 TIP3 8976 43.402 11.779 5.136 1.00 0.00 WT4 H ATOM 51930 H2 TIP3 8976 42.590 12.556 4.122 1.00 0.00 WT4 H ATOM 51931 OH2 TIP3 8977 35.483 86.485 3.277 1.00 0.00 WT4 O ATOM 51932 H1 TIP3 8977 35.024 86.750 4.073 1.00 0.00 WT4 H ATOM 51933 H2 TIP3 8977 35.294 87.181 2.648 1.00 0.00 WT4 H ATOM 51934 OH2 TIP3 8978 35.055 38.784 -15.149 1.00 0.00 WT4 O ATOM 51935 H1 TIP3 8978 35.886 38.444 -15.482 1.00 0.00 WT4 H ATOM 51936 H2 TIP3 8978 35.249 39.058 -14.253 1.00 0.00 WT4 H ATOM 51937 OH2 TIP3 8988 41.221 52.225 2.241 1.00 0.00 WT4 O ATOM 51938 H1 TIP3 8988 41.866 52.690 2.774 1.00 0.00 WT4 H ATOM 51939 H2 TIP3 8988 40.962 51.475 2.776 1.00 0.00 WT4 H ATOM 51940 OH2 TIP3 8992 27.754 8.569 44.010 1.00 0.00 WT4 O ATOM 51941 H1 TIP3 8992 28.000 8.186 43.168 1.00 0.00 WT4 H ATOM 51942 H2 TIP3 8992 28.541 9.026 44.305 1.00 0.00 WT4 H ATOM 51943 OH2 TIP3 8995 44.434 76.013 61.125 1.00 0.00 WT4 O ATOM 51944 H1 TIP3 8995 43.574 76.397 60.954 1.00 0.00 WT4 H ATOM 51945 H2 TIP3 8995 44.244 75.173 61.543 1.00 0.00 WT4 H ATOM 51946 OH2 TIP3 8996 55.391 82.583 31.687 1.00 0.00 WT4 O ATOM 51947 H1 TIP3 8996 55.397 82.831 30.762 1.00 0.00 WT4 H ATOM 51948 H2 TIP3 8996 55.236 81.638 31.681 1.00 0.00 WT4 H ATOM 51949 OH2 TIP3 8997 45.351 82.805 -9.006 1.00 0.00 WT4 O ATOM 51950 H1 TIP3 8997 45.142 83.480 -9.651 1.00 0.00 WT4 H ATOM 51951 H2 TIP3 8997 45.244 83.239 -8.160 1.00 0.00 WT4 H ATOM 51952 OH2 TIP3 9008 65.268 77.127 20.806 1.00 0.00 WT4 O ATOM 51953 H1 TIP3 9008 65.020 77.877 21.346 1.00 0.00 WT4 H ATOM 51954 H2 TIP3 9008 65.399 76.413 21.431 1.00 0.00 WT4 H ATOM 51955 OH2 TIP3 9009 27.647 51.716 24.563 1.00 0.00 WT4 O ATOM 51956 H1 TIP3 9009 27.432 52.475 24.022 1.00 0.00 WT4 H ATOM 51957 H2 TIP3 9009 28.469 51.386 24.198 1.00 0.00 WT4 H ATOM 51958 OH2 TIP3 9014 27.465 68.327 54.753 1.00 0.00 WT4 O ATOM 51959 H1 TIP3 9014 27.439 67.644 54.083 1.00 0.00 WT4 H ATOM 51960 H2 TIP3 9014 26.614 68.761 54.687 1.00 0.00 WT4 H ATOM 51961 OH2 TIP3 9015 22.035 58.248 53.473 1.00 0.00 WT4 O ATOM 51962 H1 TIP3 9015 21.526 58.903 53.950 1.00 0.00 WT4 H ATOM 51963 H2 TIP3 9015 22.940 58.552 53.540 1.00 0.00 WT4 H ATOM 51964 OH2 TIP3 9019 44.902 8.673 60.944 1.00 0.00 WT4 O ATOM 51965 H1 TIP3 9019 45.249 7.929 61.437 1.00 0.00 WT4 H ATOM 51966 H2 TIP3 9019 44.671 9.318 61.612 1.00 0.00 WT4 H ATOM 51967 OH2 TIP3 9024 44.479 25.701 -18.189 1.00 0.00 WT4 O ATOM 51968 H1 TIP3 9024 44.447 26.597 -17.853 1.00 0.00 WT4 H ATOM 51969 H2 TIP3 9024 43.591 25.366 -18.061 1.00 0.00 WT4 H ATOM 51970 OH2 TIP3 9039 48.428 13.421 6.211 1.00 0.00 WT4 O ATOM 51971 H1 TIP3 9039 49.004 12.700 5.955 1.00 0.00 WT4 H ATOM 51972 H2 TIP3 9039 48.353 13.342 7.162 1.00 0.00 WT4 H ATOM 51973 OH2 TIP3 9047 68.111 87.964 8.473 1.00 0.00 WT4 O ATOM 51974 H1 TIP3 9047 68.046 87.790 7.534 1.00 0.00 WT4 H ATOM 51975 H2 TIP3 9047 67.203 88.016 8.771 1.00 0.00 WT4 H ATOM 51976 OH2 TIP3 9054 27.375 74.603 19.696 1.00 0.00 WT4 O ATOM 51977 H1 TIP3 9054 28.195 74.172 19.454 1.00 0.00 WT4 H ATOM 51978 H2 TIP3 9054 27.641 75.316 20.277 1.00 0.00 WT4 H ATOM 51979 OH2 TIP3 9055 23.849 45.620 56.414 1.00 0.00 WT4 O ATOM 51980 H1 TIP3 9055 23.698 46.410 55.894 1.00 0.00 WT4 H ATOM 51981 H2 TIP3 9055 23.812 45.919 57.322 1.00 0.00 WT4 H ATOM 51982 OH2 TIP3 9060 63.581 91.165 -3.434 1.00 0.00 WT4 O ATOM 51983 H1 TIP3 9060 62.710 91.478 -3.189 1.00 0.00 WT4 H ATOM 51984 H2 TIP3 9060 63.466 90.226 -3.582 1.00 0.00 WT4 H ATOM 51985 OH2 TIP3 9072 39.397 13.937 11.344 1.00 0.00 WT4 O ATOM 51986 H1 TIP3 9072 39.050 13.294 11.962 1.00 0.00 WT4 H ATOM 51987 H2 TIP3 9072 39.918 13.422 10.728 1.00 0.00 WT4 H ATOM 51988 OH2 TIP3 9082 51.685 15.238 49.309 1.00 0.00 WT4 O ATOM 51989 H1 TIP3 9082 52.042 14.350 49.313 1.00 0.00 WT4 H ATOM 51990 H2 TIP3 9082 50.829 15.150 48.890 1.00 0.00 WT4 H ATOM 51991 OH2 TIP3 9094 33.278 94.157 38.699 1.00 0.00 WT4 O ATOM 51992 H1 TIP3 9094 33.341 93.381 38.142 1.00 0.00 WT4 H ATOM 51993 H2 TIP3 9094 33.450 93.833 39.583 1.00 0.00 WT4 H ATOM 51994 OH2 TIP3 9096 72.043 62.792 -15.822 1.00 0.00 WT4 O ATOM 51995 H1 TIP3 9096 71.671 63.655 -16.002 1.00 0.00 WT4 H ATOM 51996 H2 TIP3 9096 72.204 62.415 -16.687 1.00 0.00 WT4 H ATOM 51997 OH2 TIP3 9117 67.639 17.143 43.505 1.00 0.00 WT4 O ATOM 51998 H1 TIP3 9117 67.770 17.060 44.450 1.00 0.00 WT4 H ATOM 51999 H2 TIP3 9117 66.962 16.498 43.300 1.00 0.00 WT4 H ATOM 52000 OH2 TIP3 9201 48.884 24.062 3.258 1.00 0.00 WT4 O ATOM 52001 H1 TIP3 9201 49.776 24.019 3.603 1.00 0.00 WT4 H ATOM 52002 H2 TIP3 9201 48.387 24.520 3.936 1.00 0.00 WT4 H ATOM 52003 OH2 TIP3 9226 56.563 87.340 10.208 1.00 0.00 WT4 O ATOM 52004 H1 TIP3 9226 56.649 88.031 9.552 1.00 0.00 WT4 H ATOM 52005 H2 TIP3 9226 56.928 87.721 11.007 1.00 0.00 WT4 H ATOM 52006 OH2 TIP3 9241 49.172 84.473 -15.688 1.00 0.00 WT4 O ATOM 52007 H1 TIP3 9241 48.594 84.581 -14.933 1.00 0.00 WT4 H ATOM 52008 H2 TIP3 9241 50.051 84.629 -15.342 1.00 0.00 WT4 H ATOM 52009 OH2 TIP3 9243 77.618 94.689 35.072 1.00 0.00 WT4 O ATOM 52010 H1 TIP3 9243 77.696 93.745 35.208 1.00 0.00 WT4 H ATOM 52011 H2 TIP3 9243 76.674 94.852 35.060 1.00 0.00 WT4 H ATOM 52012 OH2 TIP3 9246 75.310 70.476 66.953 1.00 0.00 WT4 O ATOM 52013 H1 TIP3 9246 75.097 71.313 66.539 1.00 0.00 WT4 H ATOM 52014 H2 TIP3 9246 75.374 70.680 67.886 1.00 0.00 WT4 H ATOM 52015 OH2 TIP3 9250 23.062 41.505 53.412 1.00 0.00 WT4 O ATOM 52016 H1 TIP3 9250 23.712 42.206 53.443 1.00 0.00 WT4 H ATOM 52017 H2 TIP3 9250 22.535 41.631 54.202 1.00 0.00 WT4 H ATOM 52018 OH2 TIP3 9261 31.302 35.189 61.597 1.00 0.00 WT4 O ATOM 52019 H1 TIP3 9261 31.389 35.619 62.448 1.00 0.00 WT4 H ATOM 52020 H2 TIP3 9261 30.386 34.913 61.561 1.00 0.00 WT4 H ATOM 52021 OH2 TIP3 2 31.195 3.557 -4.055 1.00 0.00 WT5 O ATOM 52022 H1 TIP3 2 31.485 4.386 -4.435 1.00 0.00 WT5 H ATOM 52023 H2 TIP3 2 31.492 2.891 -4.675 1.00 0.00 WT5 H ATOM 52024 OH2 TIP3 5 26.348 57.351 2.002 1.00 0.00 WT5 O ATOM 52025 H1 TIP3 5 26.693 56.471 1.850 1.00 0.00 WT5 H ATOM 52026 H2 TIP3 5 26.891 57.920 1.456 1.00 0.00 WT5 H ATOM 52027 OH2 TIP3 8 83.258 19.457 33.978 1.00 0.00 WT5 O ATOM 52028 H1 TIP3 8 84.191 19.672 33.976 1.00 0.00 WT5 H ATOM 52029 H2 TIP3 8 83.168 18.773 33.314 1.00 0.00 WT5 H ATOM 52030 OH2 TIP3 14 38.263 39.035 -11.014 1.00 0.00 WT5 O ATOM 52031 H1 TIP3 14 37.605 38.351 -11.137 1.00 0.00 WT5 H ATOM 52032 H2 TIP3 14 38.027 39.712 -11.650 1.00 0.00 WT5 H ATOM 52033 OH2 TIP3 15 67.997 51.970 9.572 1.00 0.00 WT5 O ATOM 52034 H1 TIP3 15 67.372 52.317 10.209 1.00 0.00 WT5 H ATOM 52035 H2 TIP3 15 67.552 51.213 9.188 1.00 0.00 WT5 H ATOM 52036 OH2 TIP3 19 23.830 30.591 28.423 1.00 0.00 WT5 O ATOM 52037 H1 TIP3 19 23.898 31.014 27.567 1.00 0.00 WT5 H ATOM 52038 H2 TIP3 19 24.645 30.096 28.512 1.00 0.00 WT5 H ATOM 52039 OH2 TIP3 40 70.172 91.974 43.253 1.00 0.00 WT5 O ATOM 52040 H1 TIP3 40 69.628 91.666 43.978 1.00 0.00 WT5 H ATOM 52041 H2 TIP3 40 70.421 92.864 43.501 1.00 0.00 WT5 H ATOM 52042 OH2 TIP3 42 77.728 51.795 36.574 1.00 0.00 WT5 O ATOM 52043 H1 TIP3 42 76.849 52.175 36.563 1.00 0.00 WT5 H ATOM 52044 H2 TIP3 42 78.311 52.535 36.408 1.00 0.00 WT5 H ATOM 52045 OH2 TIP3 44 68.020 16.858 9.804 1.00 0.00 WT5 O ATOM 52046 H1 TIP3 44 67.180 16.775 10.257 1.00 0.00 WT5 H ATOM 52047 H2 TIP3 44 68.392 15.977 9.826 1.00 0.00 WT5 H ATOM 52048 OH2 TIP3 48 87.399 57.217 -17.944 1.00 0.00 WT5 O ATOM 52049 H1 TIP3 48 86.656 56.627 -17.822 1.00 0.00 WT5 H ATOM 52050 H2 TIP3 48 87.112 57.830 -18.620 1.00 0.00 WT5 H ATOM 52051 OH2 TIP3 52 23.560 7.990 -15.900 1.00 0.00 WT5 O ATOM 52052 H1 TIP3 52 22.809 7.584 -16.332 1.00 0.00 WT5 H ATOM 52053 H2 TIP3 52 23.654 7.508 -15.078 1.00 0.00 WT5 H ATOM 52054 OH2 TIP3 53 26.161 87.247 44.056 1.00 0.00 WT5 O ATOM 52055 H1 TIP3 53 25.401 87.206 43.476 1.00 0.00 WT5 H ATOM 52056 H2 TIP3 53 26.651 86.446 43.866 1.00 0.00 WT5 H ATOM 52057 OH2 TIP3 55 39.258 52.746 13.044 1.00 0.00 WT5 O ATOM 52058 H1 TIP3 55 38.848 52.515 13.878 1.00 0.00 WT5 H ATOM 52059 H2 TIP3 55 40.077 53.177 13.291 1.00 0.00 WT5 H ATOM 52060 OH2 TIP3 61 60.836 84.411 47.637 1.00 0.00 WT5 O ATOM 52061 H1 TIP3 61 59.990 84.788 47.393 1.00 0.00 WT5 H ATOM 52062 H2 TIP3 61 61.173 84.032 46.825 1.00 0.00 WT5 H ATOM 52063 OH2 TIP3 65 62.189 8.595 -13.781 1.00 0.00 WT5 O ATOM 52064 H1 TIP3 65 61.695 8.893 -13.017 1.00 0.00 WT5 H ATOM 52065 H2 TIP3 65 62.585 9.390 -14.136 1.00 0.00 WT5 H ATOM 52066 OH2 TIP3 67 72.509 91.315 59.111 1.00 0.00 WT5 O ATOM 52067 H1 TIP3 67 71.918 91.828 58.560 1.00 0.00 WT5 H ATOM 52068 H2 TIP3 67 71.983 91.083 59.877 1.00 0.00 WT5 H ATOM 52069 OH2 TIP3 77 32.133 80.850 61.313 1.00 0.00 WT5 O ATOM 52070 H1 TIP3 77 32.250 79.960 60.980 1.00 0.00 WT5 H ATOM 52071 H2 TIP3 77 31.728 81.325 60.588 1.00 0.00 WT5 H ATOM 52072 OH2 TIP3 78 60.085 32.375 5.090 1.00 0.00 WT5 O ATOM 52073 H1 TIP3 78 59.278 32.713 5.478 1.00 0.00 WT5 H ATOM 52074 H2 TIP3 78 60.303 33.006 4.403 1.00 0.00 WT5 H ATOM 52075 OH2 TIP3 87 38.137 0.101 65.732 1.00 0.00 WT5 O ATOM 52076 H1 TIP3 87 38.622 0.922 65.810 1.00 0.00 WT5 H ATOM 52077 H2 TIP3 87 37.376 0.217 66.302 1.00 0.00 WT5 H ATOM 52078 OH2 TIP3 89 69.444 92.506 9.973 1.00 0.00 WT5 O ATOM 52079 H1 TIP3 89 69.271 92.309 9.053 1.00 0.00 WT5 H ATOM 52080 H2 TIP3 89 69.566 91.649 10.383 1.00 0.00 WT5 H ATOM 52081 OH2 TIP3 94 68.533 95.792 43.970 1.00 0.00 WT5 O ATOM 52082 H1 TIP3 94 68.485 95.944 44.913 1.00 0.00 WT5 H ATOM 52083 H2 TIP3 94 68.153 96.579 43.580 1.00 0.00 WT5 H ATOM 52084 OH2 TIP3 95 50.196 79.506 23.714 1.00 0.00 WT5 O ATOM 52085 H1 TIP3 95 49.419 80.033 23.532 1.00 0.00 WT5 H ATOM 52086 H2 TIP3 95 50.181 78.818 23.049 1.00 0.00 WT5 H ATOM 52087 OH2 TIP3 103 65.387 49.054 61.129 1.00 0.00 WT5 O ATOM 52088 H1 TIP3 103 65.268 50.002 61.089 1.00 0.00 WT5 H ATOM 52089 H2 TIP3 103 65.407 48.775 60.214 1.00 0.00 WT5 H ATOM 52090 OH2 TIP3 113 78.923 21.732 62.545 1.00 0.00 WT5 O ATOM 52091 H1 TIP3 113 79.080 22.408 63.204 1.00 0.00 WT5 H ATOM 52092 H2 TIP3 113 79.765 21.285 62.454 1.00 0.00 WT5 H ATOM 52093 OH2 TIP3 115 82.487 70.113 -1.607 1.00 0.00 WT5 O ATOM 52094 H1 TIP3 115 83.019 69.471 -2.077 1.00 0.00 WT5 H ATOM 52095 H2 TIP3 115 81.607 69.736 -1.598 1.00 0.00 WT5 H ATOM 52096 OH2 TIP3 122 41.844 31.201 54.714 1.00 0.00 WT5 O ATOM 52097 H1 TIP3 122 40.895 31.081 54.759 1.00 0.00 WT5 H ATOM 52098 H2 TIP3 122 42.169 30.861 55.548 1.00 0.00 WT5 H ATOM 52099 OH2 TIP3 128 23.261 43.432 -10.800 1.00 0.00 WT5 O ATOM 52100 H1 TIP3 128 23.024 42.520 -10.630 1.00 0.00 WT5 H ATOM 52101 H2 TIP3 128 22.462 43.926 -10.615 1.00 0.00 WT5 H ATOM 52102 OH2 TIP3 135 27.853 91.160 56.171 1.00 0.00 WT5 O ATOM 52103 H1 TIP3 135 28.531 91.745 55.834 1.00 0.00 WT5 H ATOM 52104 H2 TIP3 135 28.087 91.026 57.090 1.00 0.00 WT5 H ATOM 52105 OH2 TIP3 137 44.148 42.209 -3.429 1.00 0.00 WT5 O ATOM 52106 H1 TIP3 137 44.575 43.045 -3.613 1.00 0.00 WT5 H ATOM 52107 H2 TIP3 137 44.589 41.881 -2.645 1.00 0.00 WT5 H ATOM 52108 OH2 TIP3 149 65.832 6.335 15.680 1.00 0.00 WT5 O ATOM 52109 H1 TIP3 149 65.795 7.237 15.997 1.00 0.00 WT5 H ATOM 52110 H2 TIP3 149 65.097 6.264 15.071 1.00 0.00 WT5 H ATOM 52111 OH2 TIP3 150 54.313 3.963 -0.318 1.00 0.00 WT5 O ATOM 52112 H1 TIP3 150 53.705 4.478 -0.848 1.00 0.00 WT5 H ATOM 52113 H2 TIP3 150 55.147 4.428 -0.390 1.00 0.00 WT5 H ATOM 52114 OH2 TIP3 153 67.530 28.148 13.271 1.00 0.00 WT5 O ATOM 52115 H1 TIP3 153 66.886 28.419 13.925 1.00 0.00 WT5 H ATOM 52116 H2 TIP3 153 68.376 28.281 13.699 1.00 0.00 WT5 H ATOM 52117 OH2 TIP3 155 69.922 65.810 25.897 1.00 0.00 WT5 O ATOM 52118 H1 TIP3 155 69.478 65.551 25.089 1.00 0.00 WT5 H ATOM 52119 H2 TIP3 155 69.400 65.415 26.595 1.00 0.00 WT5 H ATOM 52120 OH2 TIP3 165 74.792 43.727 -10.483 1.00 0.00 WT5 O ATOM 52121 H1 TIP3 165 74.183 43.938 -11.190 1.00 0.00 WT5 H ATOM 52122 H2 TIP3 165 75.367 44.490 -10.426 1.00 0.00 WT5 H ATOM 52123 OH2 TIP3 167 23.086 76.173 57.762 1.00 0.00 WT5 O ATOM 52124 H1 TIP3 167 23.782 76.719 57.397 1.00 0.00 WT5 H ATOM 52125 H2 TIP3 167 22.305 76.724 57.729 1.00 0.00 WT5 H ATOM 52126 OH2 TIP3 174 67.011 45.808 -4.013 1.00 0.00 WT5 O ATOM 52127 H1 TIP3 174 67.658 45.593 -3.341 1.00 0.00 WT5 H ATOM 52128 H2 TIP3 174 66.477 46.499 -3.620 1.00 0.00 WT5 H ATOM 52129 OH2 TIP3 175 57.093 23.020 34.095 1.00 0.00 WT5 O ATOM 52130 H1 TIP3 175 57.041 22.640 33.218 1.00 0.00 WT5 H ATOM 52131 H2 TIP3 175 56.698 23.887 34.006 1.00 0.00 WT5 H ATOM 52132 OH2 TIP3 177 74.619 22.170 36.602 1.00 0.00 WT5 O ATOM 52133 H1 TIP3 177 74.401 22.265 35.675 1.00 0.00 WT5 H ATOM 52134 H2 TIP3 177 75.529 21.871 36.604 1.00 0.00 WT5 H ATOM 52135 OH2 TIP3 178 86.781 80.330 13.752 1.00 0.00 WT5 O ATOM 52136 H1 TIP3 178 86.502 80.245 14.664 1.00 0.00 WT5 H ATOM 52137 H2 TIP3 178 85.969 80.466 13.264 1.00 0.00 WT5 H ATOM 52138 OH2 TIP3 191 21.189 48.194 -14.755 1.00 0.00 WT5 O ATOM 52139 H1 TIP3 191 21.459 47.828 -13.913 1.00 0.00 WT5 H ATOM 52140 H2 TIP3 191 21.237 47.456 -15.363 1.00 0.00 WT5 H ATOM 52141 OH2 TIP3 194 35.527 91.185 23.636 1.00 0.00 WT5 O ATOM 52142 H1 TIP3 194 35.885 91.631 24.404 1.00 0.00 WT5 H ATOM 52143 H2 TIP3 194 35.799 90.273 23.740 1.00 0.00 WT5 H ATOM 52144 OH2 TIP3 195 46.559 21.658 54.438 1.00 0.00 WT5 O ATOM 52145 H1 TIP3 195 46.230 22.430 53.977 1.00 0.00 WT5 H ATOM 52146 H2 TIP3 195 47.346 21.965 54.889 1.00 0.00 WT5 H ATOM 52147 OH2 TIP3 196 35.390 50.408 -2.256 1.00 0.00 WT5 O ATOM 52148 H1 TIP3 196 35.870 49.619 -2.507 1.00 0.00 WT5 H ATOM 52149 H2 TIP3 196 35.677 50.589 -1.361 1.00 0.00 WT5 H ATOM 52150 OH2 TIP3 201 26.530 58.599 14.884 1.00 0.00 WT5 O ATOM 52151 H1 TIP3 201 26.411 59.374 15.433 1.00 0.00 WT5 H ATOM 52152 H2 TIP3 201 27.462 58.602 14.664 1.00 0.00 WT5 H ATOM 52153 OH2 TIP3 205 28.822 38.315 15.284 1.00 0.00 WT5 O ATOM 52154 H1 TIP3 205 28.404 38.792 14.568 1.00 0.00 WT5 H ATOM 52155 H2 TIP3 205 29.748 38.283 15.043 1.00 0.00 WT5 H ATOM 52156 OH2 TIP3 213 72.128 47.736 53.718 1.00 0.00 WT5 O ATOM 52157 H1 TIP3 213 71.574 47.017 53.416 1.00 0.00 WT5 H ATOM 52158 H2 TIP3 213 71.617 48.525 53.540 1.00 0.00 WT5 H ATOM 52159 OH2 TIP3 225 58.442 0.636 30.988 1.00 0.00 WT5 O ATOM 52160 H1 TIP3 225 58.143 0.366 31.857 1.00 0.00 WT5 H ATOM 52161 H2 TIP3 225 59.023 -0.070 30.704 1.00 0.00 WT5 H ATOM 52162 OH2 TIP3 227 77.508 89.380 53.121 1.00 0.00 WT5 O ATOM 52163 H1 TIP3 227 76.765 89.565 53.696 1.00 0.00 WT5 H ATOM 52164 H2 TIP3 227 77.121 89.288 52.251 1.00 0.00 WT5 H ATOM 52165 OH2 TIP3 234 47.664 41.191 35.963 1.00 0.00 WT5 O ATOM 52166 H1 TIP3 234 47.419 40.700 35.178 1.00 0.00 WT5 H ATOM 52167 H2 TIP3 234 46.848 41.601 36.253 1.00 0.00 WT5 H ATOM 52168 OH2 TIP3 237 57.250 93.165 34.648 1.00 0.00 WT5 O ATOM 52169 H1 TIP3 237 56.615 92.585 34.229 1.00 0.00 WT5 H ATOM 52170 H2 TIP3 237 57.872 92.574 35.073 1.00 0.00 WT5 H ATOM 52171 OH2 TIP3 248 53.186 34.165 -11.504 1.00 0.00 WT5 O ATOM 52172 H1 TIP3 248 53.238 35.100 -11.307 1.00 0.00 WT5 H ATOM 52173 H2 TIP3 248 52.790 33.777 -10.723 1.00 0.00 WT5 H ATOM 52174 OH2 TIP3 250 63.887 70.651 2.891 1.00 0.00 WT5 O ATOM 52175 H1 TIP3 250 64.831 70.783 2.979 1.00 0.00 WT5 H ATOM 52176 H2 TIP3 250 63.585 70.475 3.782 1.00 0.00 WT5 H ATOM 52177 OH2 TIP3 261 88.168 89.626 60.267 1.00 0.00 WT5 O ATOM 52178 H1 TIP3 261 87.578 89.113 59.714 1.00 0.00 WT5 H ATOM 52179 H2 TIP3 261 88.762 90.054 59.651 1.00 0.00 WT5 H ATOM 52180 OH2 TIP3 267 35.218 61.776 13.581 1.00 0.00 WT5 O ATOM 52181 H1 TIP3 267 34.339 62.128 13.726 1.00 0.00 WT5 H ATOM 52182 H2 TIP3 267 35.602 61.723 14.456 1.00 0.00 WT5 H ATOM 52183 OH2 TIP3 268 52.145 6.041 10.874 1.00 0.00 WT5 O ATOM 52184 H1 TIP3 268 53.098 6.129 10.886 1.00 0.00 WT5 H ATOM 52185 H2 TIP3 268 51.879 6.199 11.780 1.00 0.00 WT5 H ATOM 52186 OH2 TIP3 283 82.523 71.422 -10.076 1.00 0.00 WT5 O ATOM 52187 H1 TIP3 283 82.068 72.178 -10.447 1.00 0.00 WT5 H ATOM 52188 H2 TIP3 283 82.071 71.252 -9.250 1.00 0.00 WT5 H ATOM 52189 OH2 TIP3 292 53.664 56.551 54.639 1.00 0.00 WT5 O ATOM 52190 H1 TIP3 292 53.129 56.666 53.854 1.00 0.00 WT5 H ATOM 52191 H2 TIP3 292 54.101 57.395 54.757 1.00 0.00 WT5 H ATOM 52192 OH2 TIP3 303 85.777 46.268 64.030 1.00 0.00 WT5 O ATOM 52193 H1 TIP3 303 84.913 45.902 64.218 1.00 0.00 WT5 H ATOM 52194 H2 TIP3 303 85.658 47.215 64.106 1.00 0.00 WT5 H ATOM 52195 OH2 TIP3 306 73.761 78.949 18.482 1.00 0.00 WT5 O ATOM 52196 H1 TIP3 306 72.949 78.909 18.987 1.00 0.00 WT5 H ATOM 52197 H2 TIP3 306 74.300 78.243 18.837 1.00 0.00 WT5 H ATOM 52198 OH2 TIP3 307 43.087 83.123 13.052 1.00 0.00 WT5 O ATOM 52199 H1 TIP3 307 42.283 82.940 12.565 1.00 0.00 WT5 H ATOM 52200 H2 TIP3 307 42.875 82.900 13.958 1.00 0.00 WT5 H ATOM 52201 OH2 TIP3 309 66.786 40.425 62.057 1.00 0.00 WT5 O ATOM 52202 H1 TIP3 309 66.265 39.859 62.625 1.00 0.00 WT5 H ATOM 52203 H2 TIP3 309 67.650 40.450 62.469 1.00 0.00 WT5 H ATOM 52204 OH2 TIP3 313 36.778 20.566 7.114 1.00 0.00 WT5 O ATOM 52205 H1 TIP3 313 37.473 20.079 7.556 1.00 0.00 WT5 H ATOM 52206 H2 TIP3 313 36.769 21.419 7.548 1.00 0.00 WT5 H ATOM 52207 OH2 TIP3 314 48.326 42.334 20.504 1.00 0.00 WT5 O ATOM 52208 H1 TIP3 314 48.544 43.232 20.256 1.00 0.00 WT5 H ATOM 52209 H2 TIP3 314 48.645 41.800 19.776 1.00 0.00 WT5 H ATOM 52210 OH2 TIP3 323 63.793 49.336 0.968 1.00 0.00 WT5 O ATOM 52211 H1 TIP3 323 63.495 50.245 0.986 1.00 0.00 WT5 H ATOM 52212 H2 TIP3 323 63.142 48.860 1.485 1.00 0.00 WT5 H ATOM 52213 OH2 TIP3 325 72.340 96.190 65.297 1.00 0.00 WT5 O ATOM 52214 H1 TIP3 325 72.271 95.613 66.058 1.00 0.00 WT5 H ATOM 52215 H2 TIP3 325 72.733 96.993 65.640 1.00 0.00 WT5 H ATOM 52216 OH2 TIP3 327 39.119 48.765 18.812 1.00 0.00 WT5 O ATOM 52217 H1 TIP3 327 39.928 49.256 18.673 1.00 0.00 WT5 H ATOM 52218 H2 TIP3 327 39.410 47.893 19.079 1.00 0.00 WT5 H ATOM 52219 OH2 TIP3 328 88.422 94.135 -1.701 1.00 0.00 WT5 O ATOM 52220 H1 TIP3 328 88.934 93.843 -0.947 1.00 0.00 WT5 H ATOM 52221 H2 TIP3 328 88.585 95.076 -1.752 1.00 0.00 WT5 H ATOM 52222 OH2 TIP3 329 23.663 68.705 -12.534 1.00 0.00 WT5 O ATOM 52223 H1 TIP3 329 23.655 67.937 -13.106 1.00 0.00 WT5 H ATOM 52224 H2 TIP3 329 24.276 69.310 -12.953 1.00 0.00 WT5 H ATOM 52225 OH2 TIP3 336 83.039 10.827 49.015 1.00 0.00 WT5 O ATOM 52226 H1 TIP3 336 82.267 10.312 48.781 1.00 0.00 WT5 H ATOM 52227 H2 TIP3 336 83.186 10.634 49.941 1.00 0.00 WT5 H ATOM 52228 OH2 TIP3 338 47.893 52.673 -5.133 1.00 0.00 WT5 O ATOM 52229 H1 TIP3 338 48.340 53.266 -5.737 1.00 0.00 WT5 H ATOM 52230 H2 TIP3 338 48.345 52.795 -4.298 1.00 0.00 WT5 H ATOM 52231 OH2 TIP3 344 85.717 50.210 34.566 1.00 0.00 WT5 O ATOM 52232 H1 TIP3 344 85.606 50.728 33.769 1.00 0.00 WT5 H ATOM 52233 H2 TIP3 344 86.401 49.577 34.347 1.00 0.00 WT5 H ATOM 52234 OH2 TIP3 347 38.485 52.030 2.404 1.00 0.00 WT5 O ATOM 52235 H1 TIP3 347 39.207 52.433 1.922 1.00 0.00 WT5 H ATOM 52236 H2 TIP3 347 38.906 51.376 2.963 1.00 0.00 WT5 H ATOM 52237 OH2 TIP3 352 46.278 48.108 33.903 1.00 0.00 WT5 O ATOM 52238 H1 TIP3 352 47.016 47.746 34.394 1.00 0.00 WT5 H ATOM 52239 H2 TIP3 352 45.993 47.392 33.336 1.00 0.00 WT5 H ATOM 52240 OH2 TIP3 359 85.757 5.580 66.848 1.00 0.00 WT5 O ATOM 52241 H1 TIP3 359 84.977 6.037 67.163 1.00 0.00 WT5 H ATOM 52242 H2 TIP3 359 86.004 6.048 66.051 1.00 0.00 WT5 H ATOM 52243 OH2 TIP3 372 88.881 38.273 53.715 1.00 0.00 WT5 O ATOM 52244 H1 TIP3 372 88.373 37.671 54.258 1.00 0.00 WT5 H ATOM 52245 H2 TIP3 372 88.819 39.115 54.166 1.00 0.00 WT5 H ATOM 52246 OH2 TIP3 379 28.314 3.879 49.533 1.00 0.00 WT5 O ATOM 52247 H1 TIP3 379 28.345 3.019 49.951 1.00 0.00 WT5 H ATOM 52248 H2 TIP3 379 29.182 4.252 49.687 1.00 0.00 WT5 H ATOM 52249 OH2 TIP3 384 66.019 57.954 -6.093 1.00 0.00 WT5 O ATOM 52250 H1 TIP3 384 66.745 57.574 -5.597 1.00 0.00 WT5 H ATOM 52251 H2 TIP3 384 66.122 58.899 -5.983 1.00 0.00 WT5 H ATOM 52252 OH2 TIP3 389 66.089 35.974 4.018 1.00 0.00 WT5 O ATOM 52253 H1 TIP3 389 65.621 35.151 4.158 1.00 0.00 WT5 H ATOM 52254 H2 TIP3 389 65.453 36.653 4.243 1.00 0.00 WT5 H ATOM 52255 OH2 TIP3 391 28.042 61.417 -4.568 1.00 0.00 WT5 O ATOM 52256 H1 TIP3 391 28.521 61.743 -3.806 1.00 0.00 WT5 H ATOM 52257 H2 TIP3 391 28.007 60.469 -4.441 1.00 0.00 WT5 H ATOM 52258 OH2 TIP3 399 85.525 57.851 22.178 1.00 0.00 WT5 O ATOM 52259 H1 TIP3 399 85.214 58.338 21.415 1.00 0.00 WT5 H ATOM 52260 H2 TIP3 399 84.735 57.460 22.550 1.00 0.00 WT5 H ATOM 52261 OH2 TIP3 400 72.024 31.591 61.525 1.00 0.00 WT5 O ATOM 52262 H1 TIP3 400 71.796 31.988 62.366 1.00 0.00 WT5 H ATOM 52263 H2 TIP3 400 72.028 32.322 60.908 1.00 0.00 WT5 H ATOM 52264 OH2 TIP3 401 76.117 2.483 32.427 1.00 0.00 WT5 O ATOM 52265 H1 TIP3 401 75.355 2.652 32.981 1.00 0.00 WT5 H ATOM 52266 H2 TIP3 401 75.798 1.879 31.757 1.00 0.00 WT5 H ATOM 52267 OH2 TIP3 409 26.397 46.101 3.048 1.00 0.00 WT5 O ATOM 52268 H1 TIP3 409 26.066 45.764 3.881 1.00 0.00 WT5 H ATOM 52269 H2 TIP3 409 25.792 46.806 2.817 1.00 0.00 WT5 H ATOM 52270 OH2 TIP3 417 53.537 75.388 54.096 1.00 0.00 WT5 O ATOM 52271 H1 TIP3 417 52.764 74.982 53.703 1.00 0.00 WT5 H ATOM 52272 H2 TIP3 417 53.539 75.076 55.000 1.00 0.00 WT5 H ATOM 52273 OH2 TIP3 418 34.763 17.535 36.987 1.00 0.00 WT5 O ATOM 52274 H1 TIP3 418 35.125 17.124 36.202 1.00 0.00 WT5 H ATOM 52275 H2 TIP3 418 33.898 17.844 36.718 1.00 0.00 WT5 H ATOM 52276 OH2 TIP3 422 40.637 18.937 30.142 1.00 0.00 WT5 O ATOM 52277 H1 TIP3 422 41.091 18.099 30.237 1.00 0.00 WT5 H ATOM 52278 H2 TIP3 422 40.226 18.890 29.279 1.00 0.00 WT5 H ATOM 52279 OH2 TIP3 425 56.222 31.613 39.317 1.00 0.00 WT5 O ATOM 52280 H1 TIP3 425 55.520 32.247 39.173 1.00 0.00 WT5 H ATOM 52281 H2 TIP3 425 57.008 32.147 39.428 1.00 0.00 WT5 H ATOM 52282 OH2 TIP3 431 39.412 23.735 33.006 1.00 0.00 WT5 O ATOM 52283 H1 TIP3 431 40.144 24.335 32.870 1.00 0.00 WT5 H ATOM 52284 H2 TIP3 431 38.847 23.869 32.245 1.00 0.00 WT5 H ATOM 52285 OH2 TIP3 433 61.590 27.426 -5.894 1.00 0.00 WT5 O ATOM 52286 H1 TIP3 433 60.784 27.916 -6.057 1.00 0.00 WT5 H ATOM 52287 H2 TIP3 433 61.680 27.422 -4.941 1.00 0.00 WT5 H ATOM 52288 OH2 TIP3 460 25.748 90.231 50.404 1.00 0.00 WT5 O ATOM 52289 H1 TIP3 460 26.635 90.448 50.117 1.00 0.00 WT5 H ATOM 52290 H2 TIP3 460 25.312 89.911 49.615 1.00 0.00 WT5 H ATOM 52291 OH2 TIP3 462 56.964 79.116 5.439 1.00 0.00 WT5 O ATOM 52292 H1 TIP3 462 56.962 78.856 6.360 1.00 0.00 WT5 H ATOM 52293 H2 TIP3 462 56.250 78.614 5.046 1.00 0.00 WT5 H ATOM 52294 OH2 TIP3 463 31.827 44.006 35.138 1.00 0.00 WT5 O ATOM 52295 H1 TIP3 463 31.675 44.266 34.230 1.00 0.00 WT5 H ATOM 52296 H2 TIP3 463 32.520 43.347 35.086 1.00 0.00 WT5 H ATOM 52297 OH2 TIP3 470 70.846 46.101 58.188 1.00 0.00 WT5 O ATOM 52298 H1 TIP3 470 71.386 46.749 57.735 1.00 0.00 WT5 H ATOM 52299 H2 TIP3 470 70.650 46.501 59.035 1.00 0.00 WT5 H ATOM 52300 OH2 TIP3 472 89.369 80.228 -17.549 1.00 0.00 WT5 O ATOM 52301 H1 TIP3 472 88.826 79.572 -17.985 1.00 0.00 WT5 H ATOM 52302 H2 TIP3 472 88.841 80.524 -16.808 1.00 0.00 WT5 H ATOM 52303 OH2 TIP3 480 27.215 62.922 28.652 1.00 0.00 WT5 O ATOM 52304 H1 TIP3 480 27.767 63.649 28.939 1.00 0.00 WT5 H ATOM 52305 H2 TIP3 480 27.833 62.235 28.404 1.00 0.00 WT5 H ATOM 52306 OH2 TIP3 481 38.100 41.270 -12.691 1.00 0.00 WT5 O ATOM 52307 H1 TIP3 481 37.595 41.553 -13.454 1.00 0.00 WT5 H ATOM 52308 H2 TIP3 481 38.988 41.581 -12.862 1.00 0.00 WT5 H ATOM 52309 OH2 TIP3 485 33.875 34.327 63.390 1.00 0.00 WT5 O ATOM 52310 H1 TIP3 485 34.437 34.627 62.675 1.00 0.00 WT5 H ATOM 52311 H2 TIP3 485 33.842 33.376 63.286 1.00 0.00 WT5 H ATOM 52312 OH2 TIP3 486 65.825 16.805 4.573 1.00 0.00 WT5 O ATOM 52313 H1 TIP3 486 65.980 16.998 5.498 1.00 0.00 WT5 H ATOM 52314 H2 TIP3 486 65.028 17.290 4.357 1.00 0.00 WT5 H ATOM 52315 OH2 TIP3 489 55.105 95.575 -14.137 1.00 0.00 WT5 O ATOM 52316 H1 TIP3 489 54.157 95.625 -14.259 1.00 0.00 WT5 H ATOM 52317 H2 TIP3 489 55.274 94.652 -13.948 1.00 0.00 WT5 H ATOM 52318 OH2 TIP3 490 82.064 96.188 49.828 1.00 0.00 WT5 O ATOM 52319 H1 TIP3 490 81.624 97.011 49.618 1.00 0.00 WT5 H ATOM 52320 H2 TIP3 490 81.903 96.061 50.763 1.00 0.00 WT5 H ATOM 52321 OH2 TIP3 491 41.365 41.134 -1.896 1.00 0.00 WT5 O ATOM 52322 H1 TIP3 491 42.295 41.357 -1.907 1.00 0.00 WT5 H ATOM 52323 H2 TIP3 491 40.975 41.694 -2.567 1.00 0.00 WT5 H ATOM 52324 OH2 TIP3 494 74.696 2.192 -8.936 1.00 0.00 WT5 O ATOM 52325 H1 TIP3 494 74.471 1.348 -9.326 1.00 0.00 WT5 H ATOM 52326 H2 TIP3 494 75.194 1.968 -8.149 1.00 0.00 WT5 H ATOM 52327 OH2 TIP3 496 80.934 57.172 24.770 1.00 0.00 WT5 O ATOM 52328 H1 TIP3 496 80.942 58.014 25.225 1.00 0.00 WT5 H ATOM 52329 H2 TIP3 496 80.009 56.928 24.733 1.00 0.00 WT5 H ATOM 52330 OH2 TIP3 501 78.824 22.003 13.034 1.00 0.00 WT5 O ATOM 52331 H1 TIP3 501 78.541 22.911 12.931 1.00 0.00 WT5 H ATOM 52332 H2 TIP3 501 79.617 22.058 13.568 1.00 0.00 WT5 H ATOM 52333 OH2 TIP3 502 74.778 48.655 14.365 1.00 0.00 WT5 O ATOM 52334 H1 TIP3 502 74.006 49.181 14.154 1.00 0.00 WT5 H ATOM 52335 H2 TIP3 502 74.456 47.989 14.972 1.00 0.00 WT5 H ATOM 52336 OH2 TIP3 503 52.159 76.781 -12.306 1.00 0.00 WT5 O ATOM 52337 H1 TIP3 503 52.328 77.266 -11.498 1.00 0.00 WT5 H ATOM 52338 H2 TIP3 503 51.704 75.989 -12.020 1.00 0.00 WT5 H ATOM 52339 OH2 TIP3 506 78.268 87.974 -15.085 1.00 0.00 WT5 O ATOM 52340 H1 TIP3 506 78.685 88.155 -15.927 1.00 0.00 WT5 H ATOM 52341 H2 TIP3 506 77.393 88.354 -15.164 1.00 0.00 WT5 H ATOM 52342 OH2 TIP3 509 75.259 6.585 56.198 1.00 0.00 WT5 O ATOM 52343 H1 TIP3 509 75.862 5.847 56.282 1.00 0.00 WT5 H ATOM 52344 H2 TIP3 509 74.647 6.319 55.512 1.00 0.00 WT5 H ATOM 52345 OH2 TIP3 511 25.923 72.467 -16.602 1.00 0.00 WT5 O ATOM 52346 H1 TIP3 511 26.225 72.096 -15.773 1.00 0.00 WT5 H ATOM 52347 H2 TIP3 511 26.044 71.762 -17.239 1.00 0.00 WT5 H ATOM 52348 OH2 TIP3 515 34.732 86.939 63.114 1.00 0.00 WT5 O ATOM 52349 H1 TIP3 515 33.885 86.567 62.869 1.00 0.00 WT5 H ATOM 52350 H2 TIP3 515 34.519 87.630 63.741 1.00 0.00 WT5 H ATOM 52351 OH2 TIP3 516 36.605 79.235 8.440 1.00 0.00 WT5 O ATOM 52352 H1 TIP3 516 37.173 78.515 8.165 1.00 0.00 WT5 H ATOM 52353 H2 TIP3 516 36.584 79.825 7.687 1.00 0.00 WT5 H ATOM 52354 OH2 TIP3 520 58.333 34.054 35.179 1.00 0.00 WT5 O ATOM 52355 H1 TIP3 520 57.706 33.420 34.831 1.00 0.00 WT5 H ATOM 52356 H2 TIP3 520 57.837 34.549 35.831 1.00 0.00 WT5 H ATOM 52357 OH2 TIP3 521 88.546 76.373 21.492 1.00 0.00 WT5 O ATOM 52358 H1 TIP3 521 87.752 75.863 21.649 1.00 0.00 WT5 H ATOM 52359 H2 TIP3 521 88.542 76.540 20.549 1.00 0.00 WT5 H ATOM 52360 OH2 TIP3 526 22.868 78.030 43.403 1.00 0.00 WT5 O ATOM 52361 H1 TIP3 526 23.640 78.578 43.262 1.00 0.00 WT5 H ATOM 52362 H2 TIP3 526 22.422 78.022 42.555 1.00 0.00 WT5 H ATOM 52363 OH2 TIP3 540 78.544 94.660 -19.498 1.00 0.00 WT5 O ATOM 52364 H1 TIP3 540 79.314 95.021 -19.059 1.00 0.00 WT5 H ATOM 52365 H2 TIP3 540 78.382 95.258 -20.228 1.00 0.00 WT5 H ATOM 52366 OH2 TIP3 541 26.742 17.065 -6.014 1.00 0.00 WT5 O ATOM 52367 H1 TIP3 541 26.798 17.986 -5.760 1.00 0.00 WT5 H ATOM 52368 H2 TIP3 541 27.407 16.628 -5.482 1.00 0.00 WT5 H ATOM 52369 OH2 TIP3 545 87.322 81.860 7.385 1.00 0.00 WT5 O ATOM 52370 H1 TIP3 545 86.651 81.284 7.020 1.00 0.00 WT5 H ATOM 52371 H2 TIP3 545 88.007 81.266 7.693 1.00 0.00 WT5 H ATOM 52372 OH2 TIP3 548 26.117 8.272 12.734 1.00 0.00 WT5 O ATOM 52373 H1 TIP3 548 27.057 8.445 12.686 1.00 0.00 WT5 H ATOM 52374 H2 TIP3 548 25.761 9.015 13.222 1.00 0.00 WT5 H ATOM 52375 OH2 TIP3 550 71.528 76.113 4.373 1.00 0.00 WT5 O ATOM 52376 H1 TIP3 550 71.289 75.332 3.875 1.00 0.00 WT5 H ATOM 52377 H2 TIP3 550 71.519 75.828 5.287 1.00 0.00 WT5 H ATOM 52378 OH2 TIP3 551 56.106 20.038 40.239 1.00 0.00 WT5 O ATOM 52379 H1 TIP3 551 55.720 19.596 40.995 1.00 0.00 WT5 H ATOM 52380 H2 TIP3 551 55.730 19.591 39.481 1.00 0.00 WT5 H ATOM 52381 OH2 TIP3 555 75.824 36.634 0.064 1.00 0.00 WT5 O ATOM 52382 H1 TIP3 555 75.036 36.184 0.369 1.00 0.00 WT5 H ATOM 52383 H2 TIP3 555 75.745 36.635 -0.890 1.00 0.00 WT5 H ATOM 52384 OH2 TIP3 556 84.686 84.602 42.211 1.00 0.00 WT5 O ATOM 52385 H1 TIP3 556 84.697 84.822 41.279 1.00 0.00 WT5 H ATOM 52386 H2 TIP3 556 84.441 83.677 42.236 1.00 0.00 WT5 H ATOM 52387 OH2 TIP3 562 22.703 89.759 -0.450 1.00 0.00 WT5 O ATOM 52388 H1 TIP3 562 23.401 89.170 -0.737 1.00 0.00 WT5 H ATOM 52389 H2 TIP3 562 22.935 89.986 0.451 1.00 0.00 WT5 H ATOM 52390 OH2 TIP3 564 36.805 28.640 19.367 1.00 0.00 WT5 O ATOM 52391 H1 TIP3 564 36.804 28.013 20.090 1.00 0.00 WT5 H ATOM 52392 H2 TIP3 564 36.154 29.295 19.618 1.00 0.00 WT5 H ATOM 52393 OH2 TIP3 566 82.609 83.982 8.027 1.00 0.00 WT5 O ATOM 52394 H1 TIP3 566 82.641 83.647 8.923 1.00 0.00 WT5 H ATOM 52395 H2 TIP3 566 81.840 83.562 7.641 1.00 0.00 WT5 H ATOM 52396 OH2 TIP3 570 88.837 77.952 30.107 1.00 0.00 WT5 O ATOM 52397 H1 TIP3 570 89.771 77.953 30.315 1.00 0.00 WT5 H ATOM 52398 H2 TIP3 570 88.744 77.292 29.420 1.00 0.00 WT5 H ATOM 52399 OH2 TIP3 573 70.569 83.126 48.604 1.00 0.00 WT5 O ATOM 52400 H1 TIP3 573 69.737 82.847 48.987 1.00 0.00 WT5 H ATOM 52401 H2 TIP3 573 70.409 83.133 47.660 1.00 0.00 WT5 H ATOM 52402 OH2 TIP3 575 26.017 1.672 64.174 1.00 0.00 WT5 O ATOM 52403 H1 TIP3 575 26.944 1.877 64.051 1.00 0.00 WT5 H ATOM 52404 H2 TIP3 575 25.700 2.345 64.776 1.00 0.00 WT5 H ATOM 52405 OH2 TIP3 576 67.899 45.101 -14.842 1.00 0.00 WT5 O ATOM 52406 H1 TIP3 576 68.633 45.413 -14.312 1.00 0.00 WT5 H ATOM 52407 H2 TIP3 576 67.134 45.550 -14.480 1.00 0.00 WT5 H ATOM 52408 OH2 TIP3 578 84.629 64.982 57.016 1.00 0.00 WT5 O ATOM 52409 H1 TIP3 578 84.253 65.265 56.183 1.00 0.00 WT5 H ATOM 52410 H2 TIP3 578 84.119 64.209 57.259 1.00 0.00 WT5 H ATOM 52411 OH2 TIP3 584 53.319 8.784 42.848 1.00 0.00 WT5 O ATOM 52412 H1 TIP3 584 52.555 8.857 42.276 1.00 0.00 WT5 H ATOM 52413 H2 TIP3 584 53.214 7.937 43.282 1.00 0.00 WT5 H ATOM 52414 OH2 TIP3 586 61.320 38.294 -10.196 1.00 0.00 WT5 O ATOM 52415 H1 TIP3 586 61.114 38.979 -9.561 1.00 0.00 WT5 H ATOM 52416 H2 TIP3 586 62.256 38.130 -10.077 1.00 0.00 WT5 H ATOM 52417 OH2 TIP3 591 42.106 6.137 58.850 1.00 0.00 WT5 O ATOM 52418 H1 TIP3 591 42.190 7.090 58.891 1.00 0.00 WT5 H ATOM 52419 H2 TIP3 591 41.267 5.989 58.413 1.00 0.00 WT5 H ATOM 52420 OH2 TIP3 593 45.948 28.614 52.113 1.00 0.00 WT5 O ATOM 52421 H1 TIP3 593 45.487 29.394 51.806 1.00 0.00 WT5 H ATOM 52422 H2 TIP3 593 46.279 28.856 52.978 1.00 0.00 WT5 H ATOM 52423 OH2 TIP3 594 25.229 91.205 40.199 1.00 0.00 WT5 O ATOM 52424 H1 TIP3 594 25.664 91.118 39.351 1.00 0.00 WT5 H ATOM 52425 H2 TIP3 594 25.043 90.305 40.468 1.00 0.00 WT5 H ATOM 52426 OH2 TIP3 599 33.353 30.325 29.567 1.00 0.00 WT5 O ATOM 52427 H1 TIP3 599 33.473 31.027 28.928 1.00 0.00 WT5 H ATOM 52428 H2 TIP3 599 32.791 30.707 30.242 1.00 0.00 WT5 H ATOM 52429 OH2 TIP3 600 22.559 41.801 5.693 1.00 0.00 WT5 O ATOM 52430 H1 TIP3 600 22.401 42.507 5.067 1.00 0.00 WT5 H ATOM 52431 H2 TIP3 600 22.557 42.232 6.548 1.00 0.00 WT5 H ATOM 52432 OH2 TIP3 602 49.696 35.910 36.928 1.00 0.00 WT5 O ATOM 52433 H1 TIP3 602 49.069 35.917 36.205 1.00 0.00 WT5 H ATOM 52434 H2 TIP3 602 49.985 36.819 37.004 1.00 0.00 WT5 H ATOM 52435 OH2 TIP3 606 36.061 31.891 57.550 1.00 0.00 WT5 O ATOM 52436 H1 TIP3 606 35.802 31.318 58.272 1.00 0.00 WT5 H ATOM 52437 H2 TIP3 606 36.795 32.397 57.897 1.00 0.00 WT5 H ATOM 52438 OH2 TIP3 610 79.303 25.544 -5.343 1.00 0.00 WT5 O ATOM 52439 H1 TIP3 610 80.167 25.500 -4.934 1.00 0.00 WT5 H ATOM 52440 H2 TIP3 610 79.390 26.219 -6.016 1.00 0.00 WT5 H ATOM 52441 OH2 TIP3 616 37.353 88.455 -0.470 1.00 0.00 WT5 O ATOM 52442 H1 TIP3 616 37.023 88.018 -1.255 1.00 0.00 WT5 H ATOM 52443 H2 TIP3 616 38.124 88.938 -0.769 1.00 0.00 WT5 H ATOM 52444 OH2 TIP3 626 86.209 72.367 12.104 1.00 0.00 WT5 O ATOM 52445 H1 TIP3 626 86.135 72.936 12.869 1.00 0.00 WT5 H ATOM 52446 H2 TIP3 626 87.115 72.056 12.123 1.00 0.00 WT5 H ATOM 52447 OH2 TIP3 629 23.495 63.491 50.657 1.00 0.00 WT5 O ATOM 52448 H1 TIP3 629 22.890 62.861 50.266 1.00 0.00 WT5 H ATOM 52449 H2 TIP3 629 22.944 64.038 51.217 1.00 0.00 WT5 H ATOM 52450 OH2 TIP3 638 40.358 2.976 19.715 1.00 0.00 WT5 O ATOM 52451 H1 TIP3 638 40.241 3.558 18.963 1.00 0.00 WT5 H ATOM 52452 H2 TIP3 638 40.729 2.176 19.343 1.00 0.00 WT5 H ATOM 52453 OH2 TIP3 639 36.366 42.641 31.076 1.00 0.00 WT5 O ATOM 52454 H1 TIP3 639 37.092 42.060 30.848 1.00 0.00 WT5 H ATOM 52455 H2 TIP3 639 36.368 43.308 30.389 1.00 0.00 WT5 H ATOM 52456 OH2 TIP3 642 56.568 82.295 8.438 1.00 0.00 WT5 O ATOM 52457 H1 TIP3 642 56.936 81.606 7.884 1.00 0.00 WT5 H ATOM 52458 H2 TIP3 642 56.596 81.932 9.323 1.00 0.00 WT5 H ATOM 52459 OH2 TIP3 649 74.783 29.189 36.431 1.00 0.00 WT5 O ATOM 52460 H1 TIP3 649 75.292 28.378 36.401 1.00 0.00 WT5 H ATOM 52461 H2 TIP3 649 74.694 29.449 35.514 1.00 0.00 WT5 H ATOM 52462 OH2 TIP3 650 80.893 74.431 3.178 1.00 0.00 WT5 O ATOM 52463 H1 TIP3 650 80.449 74.714 2.379 1.00 0.00 WT5 H ATOM 52464 H2 TIP3 650 80.186 74.153 3.760 1.00 0.00 WT5 H ATOM 52465 OH2 TIP3 662 58.528 81.364 1.128 1.00 0.00 WT5 O ATOM 52466 H1 TIP3 662 57.634 81.697 1.045 1.00 0.00 WT5 H ATOM 52467 H2 TIP3 662 58.420 80.441 1.356 1.00 0.00 WT5 H ATOM 52468 OH2 TIP3 666 60.421 23.461 21.029 1.00 0.00 WT5 O ATOM 52469 H1 TIP3 666 60.438 22.564 20.696 1.00 0.00 WT5 H ATOM 52470 H2 TIP3 666 59.632 23.844 20.646 1.00 0.00 WT5 H ATOM 52471 OH2 TIP3 668 59.156 38.330 23.734 1.00 0.00 WT5 O ATOM 52472 H1 TIP3 668 58.396 37.802 23.980 1.00 0.00 WT5 H ATOM 52473 H2 TIP3 668 58.893 39.231 23.920 1.00 0.00 WT5 H ATOM 52474 OH2 TIP3 671 45.283 49.697 40.812 1.00 0.00 WT5 O ATOM 52475 H1 TIP3 671 44.539 50.170 41.186 1.00 0.00 WT5 H ATOM 52476 H2 TIP3 671 44.900 49.151 40.125 1.00 0.00 WT5 H ATOM 52477 OH2 TIP3 673 75.153 59.287 31.419 1.00 0.00 WT5 O ATOM 52478 H1 TIP3 673 75.334 59.840 30.658 1.00 0.00 WT5 H ATOM 52479 H2 TIP3 673 74.365 58.800 31.180 1.00 0.00 WT5 H ATOM 52480 OH2 TIP3 677 66.823 55.073 -3.014 1.00 0.00 WT5 O ATOM 52481 H1 TIP3 677 66.827 55.835 -3.592 1.00 0.00 WT5 H ATOM 52482 H2 TIP3 677 66.711 54.326 -3.602 1.00 0.00 WT5 H ATOM 52483 OH2 TIP3 678 75.978 55.174 29.964 1.00 0.00 WT5 O ATOM 52484 H1 TIP3 678 76.446 55.833 30.477 1.00 0.00 WT5 H ATOM 52485 H2 TIP3 678 75.555 55.671 29.263 1.00 0.00 WT5 H ATOM 52486 OH2 TIP3 684 38.670 88.208 13.022 1.00 0.00 WT5 O ATOM 52487 H1 TIP3 684 38.376 87.742 12.239 1.00 0.00 WT5 H ATOM 52488 H2 TIP3 684 38.686 87.539 13.707 1.00 0.00 WT5 H ATOM 52489 OH2 TIP3 688 80.514 59.060 -7.379 1.00 0.00 WT5 O ATOM 52490 H1 TIP3 688 80.491 59.923 -7.792 1.00 0.00 WT5 H ATOM 52491 H2 TIP3 688 81.275 59.091 -6.799 1.00 0.00 WT5 H ATOM 52492 OH2 TIP3 691 46.290 75.908 55.107 1.00 0.00 WT5 O ATOM 52493 H1 TIP3 691 45.588 76.488 55.400 1.00 0.00 WT5 H ATOM 52494 H2 TIP3 691 46.633 76.326 54.317 1.00 0.00 WT5 H ATOM 52495 OH2 TIP3 704 47.014 92.647 43.394 1.00 0.00 WT5 O ATOM 52496 H1 TIP3 704 46.337 92.134 42.953 1.00 0.00 WT5 H ATOM 52497 H2 TIP3 704 47.234 93.339 42.770 1.00 0.00 WT5 H ATOM 52498 OH2 TIP3 711 48.735 2.568 38.585 1.00 0.00 WT5 O ATOM 52499 H1 TIP3 711 49.115 2.135 37.820 1.00 0.00 WT5 H ATOM 52500 H2 TIP3 711 49.366 2.408 39.288 1.00 0.00 WT5 H ATOM 52501 OH2 TIP3 715 39.757 13.886 49.656 1.00 0.00 WT5 O ATOM 52502 H1 TIP3 715 39.103 14.402 50.127 1.00 0.00 WT5 H ATOM 52503 H2 TIP3 715 40.409 13.662 50.320 1.00 0.00 WT5 H ATOM 52504 OH2 TIP3 717 44.790 45.499 -13.267 1.00 0.00 WT5 O ATOM 52505 H1 TIP3 717 45.720 45.294 -13.367 1.00 0.00 WT5 H ATOM 52506 H2 TIP3 717 44.754 46.455 -13.258 1.00 0.00 WT5 H ATOM 52507 OH2 TIP3 721 21.766 32.510 3.514 1.00 0.00 WT5 O ATOM 52508 H1 TIP3 721 21.394 33.390 3.460 1.00 0.00 WT5 H ATOM 52509 H2 TIP3 721 22.275 32.514 4.325 1.00 0.00 WT5 H ATOM 52510 OH2 TIP3 722 86.585 7.843 54.286 1.00 0.00 WT5 O ATOM 52511 H1 TIP3 722 85.940 8.129 53.638 1.00 0.00 WT5 H ATOM 52512 H2 TIP3 722 87.095 7.170 53.835 1.00 0.00 WT5 H ATOM 52513 OH2 TIP3 733 84.247 92.399 2.941 1.00 0.00 WT5 O ATOM 52514 H1 TIP3 733 83.930 92.663 2.077 1.00 0.00 WT5 H ATOM 52515 H2 TIP3 733 83.995 91.478 3.018 1.00 0.00 WT5 H ATOM 52516 OH2 TIP3 738 64.184 26.831 -4.515 1.00 0.00 WT5 O ATOM 52517 H1 TIP3 738 63.611 27.330 -3.933 1.00 0.00 WT5 H ATOM 52518 H2 TIP3 738 64.427 26.057 -4.007 1.00 0.00 WT5 H ATOM 52519 OH2 TIP3 746 58.377 28.054 12.948 1.00 0.00 WT5 O ATOM 52520 H1 TIP3 746 57.943 27.224 13.148 1.00 0.00 WT5 H ATOM 52521 H2 TIP3 746 57.749 28.527 12.402 1.00 0.00 WT5 H ATOM 52522 OH2 TIP3 753 78.330 49.884 9.306 1.00 0.00 WT5 O ATOM 52523 H1 TIP3 753 78.463 49.599 10.210 1.00 0.00 WT5 H ATOM 52524 H2 TIP3 753 77.820 50.690 9.381 1.00 0.00 WT5 H ATOM 52525 OH2 TIP3 754 79.896 50.025 0.696 1.00 0.00 WT5 O ATOM 52526 H1 TIP3 754 79.231 50.602 0.322 1.00 0.00 WT5 H ATOM 52527 H2 TIP3 754 80.722 50.490 0.562 1.00 0.00 WT5 H ATOM 52528 OH2 TIP3 761 42.737 64.406 -3.297 1.00 0.00 WT5 O ATOM 52529 H1 TIP3 761 42.755 64.893 -2.473 1.00 0.00 WT5 H ATOM 52530 H2 TIP3 761 42.596 63.496 -3.036 1.00 0.00 WT5 H ATOM 52531 OH2 TIP3 766 21.666 93.777 65.780 1.00 0.00 WT5 O ATOM 52532 H1 TIP3 766 20.973 93.117 65.779 1.00 0.00 WT5 H ATOM 52533 H2 TIP3 766 21.353 94.453 66.380 1.00 0.00 WT5 H ATOM 52534 OH2 TIP3 768 36.456 44.996 -4.416 1.00 0.00 WT5 O ATOM 52535 H1 TIP3 768 35.817 45.274 -5.072 1.00 0.00 WT5 H ATOM 52536 H2 TIP3 768 36.932 44.278 -4.833 1.00 0.00 WT5 H ATOM 52537 OH2 TIP3 771 27.480 76.917 33.962 1.00 0.00 WT5 O ATOM 52538 H1 TIP3 771 27.761 76.370 34.696 1.00 0.00 WT5 H ATOM 52539 H2 TIP3 771 27.956 76.569 33.208 1.00 0.00 WT5 H ATOM 52540 OH2 TIP3 773 38.101 62.004 46.088 1.00 0.00 WT5 O ATOM 52541 H1 TIP3 773 38.119 62.597 45.337 1.00 0.00 WT5 H ATOM 52542 H2 TIP3 773 38.949 61.560 46.064 1.00 0.00 WT5 H ATOM 52543 OH2 TIP3 778 25.456 64.119 19.166 1.00 0.00 WT5 O ATOM 52544 H1 TIP3 778 24.857 63.712 19.792 1.00 0.00 WT5 H ATOM 52545 H2 TIP3 778 26.195 64.415 19.697 1.00 0.00 WT5 H ATOM 52546 OH2 TIP3 779 30.561 2.366 6.403 1.00 0.00 WT5 O ATOM 52547 H1 TIP3 779 30.000 3.130 6.268 1.00 0.00 WT5 H ATOM 52548 H2 TIP3 779 30.266 1.733 5.749 1.00 0.00 WT5 H ATOM 52549 OH2 TIP3 792 36.921 80.087 -5.040 1.00 0.00 WT5 O ATOM 52550 H1 TIP3 792 36.030 79.737 -5.055 1.00 0.00 WT5 H ATOM 52551 H2 TIP3 792 37.278 79.799 -4.200 1.00 0.00 WT5 H ATOM 52552 OH2 TIP3 807 73.203 61.114 -7.176 1.00 0.00 WT5 O ATOM 52553 H1 TIP3 807 72.657 60.425 -6.798 1.00 0.00 WT5 H ATOM 52554 H2 TIP3 807 72.701 61.918 -7.044 1.00 0.00 WT5 H ATOM 52555 OH2 TIP3 808 45.625 84.134 -16.420 1.00 0.00 WT5 O ATOM 52556 H1 TIP3 808 45.566 84.229 -15.469 1.00 0.00 WT5 H ATOM 52557 H2 TIP3 808 44.975 84.748 -16.763 1.00 0.00 WT5 H ATOM 52558 OH2 TIP3 812 29.623 21.701 45.101 1.00 0.00 WT5 O ATOM 52559 H1 TIP3 812 30.441 21.232 44.936 1.00 0.00 WT5 H ATOM 52560 H2 TIP3 812 29.721 22.050 45.987 1.00 0.00 WT5 H ATOM 52561 OH2 TIP3 814 73.240 63.646 19.307 1.00 0.00 WT5 O ATOM 52562 H1 TIP3 814 72.958 64.439 19.762 1.00 0.00 WT5 H ATOM 52563 H2 TIP3 814 73.058 62.937 19.924 1.00 0.00 WT5 H ATOM 52564 OH2 TIP3 820 73.332 79.756 37.624 1.00 0.00 WT5 O ATOM 52565 H1 TIP3 820 72.760 80.338 37.122 1.00 0.00 WT5 H ATOM 52566 H2 TIP3 820 72.770 79.021 37.870 1.00 0.00 WT5 H ATOM 52567 OH2 TIP3 822 39.571 44.583 -12.449 1.00 0.00 WT5 O ATOM 52568 H1 TIP3 822 38.620 44.600 -12.341 1.00 0.00 WT5 H ATOM 52569 H2 TIP3 822 39.744 45.213 -13.149 1.00 0.00 WT5 H ATOM 52570 OH2 TIP3 824 54.077 73.183 8.053 1.00 0.00 WT5 O ATOM 52571 H1 TIP3 824 53.303 73.714 8.241 1.00 0.00 WT5 H ATOM 52572 H2 TIP3 824 53.898 72.342 8.474 1.00 0.00 WT5 H ATOM 52573 OH2 TIP3 827 78.486 7.904 2.355 1.00 0.00 WT5 O ATOM 52574 H1 TIP3 827 79.315 8.269 2.044 1.00 0.00 WT5 H ATOM 52575 H2 TIP3 827 77.989 8.663 2.660 1.00 0.00 WT5 H ATOM 52576 OH2 TIP3 829 47.433 34.451 -2.124 1.00 0.00 WT5 O ATOM 52577 H1 TIP3 829 48.289 34.871 -2.040 1.00 0.00 WT5 H ATOM 52578 H2 TIP3 829 46.899 34.855 -1.440 1.00 0.00 WT5 H ATOM 52579 OH2 TIP3 834 73.193 37.148 33.521 1.00 0.00 WT5 O ATOM 52580 H1 TIP3 834 72.275 37.396 33.632 1.00 0.00 WT5 H ATOM 52581 H2 TIP3 834 73.468 37.599 32.723 1.00 0.00 WT5 H ATOM 52582 OH2 TIP3 836 90.600 93.716 2.388 1.00 0.00 WT5 O ATOM 52583 H1 TIP3 836 90.468 92.771 2.467 1.00 0.00 WT5 H ATOM 52584 H2 TIP3 836 89.768 94.048 2.052 1.00 0.00 WT5 H ATOM 52585 OH2 TIP3 843 73.702 33.995 27.690 1.00 0.00 WT5 O ATOM 52586 H1 TIP3 843 72.865 33.574 27.885 1.00 0.00 WT5 H ATOM 52587 H2 TIP3 843 73.822 33.865 26.749 1.00 0.00 WT5 H ATOM 52588 OH2 TIP3 846 89.675 75.143 15.645 1.00 0.00 WT5 O ATOM 52589 H1 TIP3 846 90.095 74.451 16.156 1.00 0.00 WT5 H ATOM 52590 H2 TIP3 846 88.927 75.414 16.177 1.00 0.00 WT5 H ATOM 52591 OH2 TIP3 852 88.343 82.680 -13.203 1.00 0.00 WT5 O ATOM 52592 H1 TIP3 852 89.253 82.976 -13.216 1.00 0.00 WT5 H ATOM 52593 H2 TIP3 852 88.173 82.469 -12.284 1.00 0.00 WT5 H ATOM 52594 OH2 TIP3 854 34.360 94.374 -3.711 1.00 0.00 WT5 O ATOM 52595 H1 TIP3 854 34.415 94.957 -2.954 1.00 0.00 WT5 H ATOM 52596 H2 TIP3 854 33.614 94.703 -4.213 1.00 0.00 WT5 H ATOM 52597 OH2 TIP3 860 24.906 91.091 1.236 1.00 0.00 WT5 O ATOM 52598 H1 TIP3 860 25.261 91.569 0.486 1.00 0.00 WT5 H ATOM 52599 H2 TIP3 860 24.822 91.751 1.923 1.00 0.00 WT5 H ATOM 52600 OH2 TIP3 868 58.862 60.906 58.474 1.00 0.00 WT5 O ATOM 52601 H1 TIP3 868 58.057 60.491 58.784 1.00 0.00 WT5 H ATOM 52602 H2 TIP3 868 58.656 61.840 58.448 1.00 0.00 WT5 H ATOM 52603 OH2 TIP3 878 63.716 74.880 59.173 1.00 0.00 WT5 O ATOM 52604 H1 TIP3 878 62.872 74.614 59.537 1.00 0.00 WT5 H ATOM 52605 H2 TIP3 878 63.492 75.498 58.476 1.00 0.00 WT5 H ATOM 52606 OH2 TIP3 880 21.933 10.800 32.655 1.00 0.00 WT5 O ATOM 52607 H1 TIP3 880 21.421 11.216 33.349 1.00 0.00 WT5 H ATOM 52608 H2 TIP3 880 22.831 11.094 32.811 1.00 0.00 WT5 H ATOM 52609 OH2 TIP3 884 62.530 30.779 52.499 1.00 0.00 WT5 O ATOM 52610 H1 TIP3 884 63.185 31.454 52.321 1.00 0.00 WT5 H ATOM 52611 H2 TIP3 884 62.639 30.145 51.790 1.00 0.00 WT5 H ATOM 52612 OH2 TIP3 889 61.481 95.490 59.702 1.00 0.00 WT5 O ATOM 52613 H1 TIP3 889 60.962 94.756 60.030 1.00 0.00 WT5 H ATOM 52614 H2 TIP3 889 62.021 95.111 59.008 1.00 0.00 WT5 H ATOM 52615 OH2 TIP3 892 40.019 78.198 -9.584 1.00 0.00 WT5 O ATOM 52616 H1 TIP3 892 40.551 77.412 -9.459 1.00 0.00 WT5 H ATOM 52617 H2 TIP3 892 39.791 78.477 -8.697 1.00 0.00 WT5 H ATOM 52618 OH2 TIP3 895 59.460 3.126 -19.183 1.00 0.00 WT5 O ATOM 52619 H1 TIP3 895 58.667 2.630 -18.979 1.00 0.00 WT5 H ATOM 52620 H2 TIP3 895 60.168 2.619 -18.786 1.00 0.00 WT5 H ATOM 52621 OH2 TIP3 898 35.086 35.955 16.607 1.00 0.00 WT5 O ATOM 52622 H1 TIP3 898 36.021 36.070 16.779 1.00 0.00 WT5 H ATOM 52623 H2 TIP3 898 34.792 35.344 17.283 1.00 0.00 WT5 H ATOM 52624 OH2 TIP3 901 80.356 60.749 53.860 1.00 0.00 WT5 O ATOM 52625 H1 TIP3 901 79.904 59.923 53.687 1.00 0.00 WT5 H ATOM 52626 H2 TIP3 901 79.710 61.285 54.320 1.00 0.00 WT5 H ATOM 52627 OH2 TIP3 908 84.013 21.027 -2.806 1.00 0.00 WT5 O ATOM 52628 H1 TIP3 908 84.882 21.110 -3.199 1.00 0.00 WT5 H ATOM 52629 H2 TIP3 908 84.163 20.548 -1.991 1.00 0.00 WT5 H ATOM 52630 OH2 TIP3 919 51.734 40.147 34.059 1.00 0.00 WT5 O ATOM 52631 H1 TIP3 919 52.505 39.609 33.879 1.00 0.00 WT5 H ATOM 52632 H2 TIP3 919 51.005 39.656 33.680 1.00 0.00 WT5 H ATOM 52633 OH2 TIP3 928 61.866 91.203 8.106 1.00 0.00 WT5 O ATOM 52634 H1 TIP3 928 61.327 90.745 7.462 1.00 0.00 WT5 H ATOM 52635 H2 TIP3 928 61.667 90.770 8.937 1.00 0.00 WT5 H ATOM 52636 OH2 TIP3 930 26.475 92.512 32.605 1.00 0.00 WT5 O ATOM 52637 H1 TIP3 930 26.286 93.125 33.315 1.00 0.00 WT5 H ATOM 52638 H2 TIP3 930 27.424 92.392 32.637 1.00 0.00 WT5 H ATOM 52639 OH2 TIP3 933 28.424 9.662 64.335 1.00 0.00 WT5 O ATOM 52640 H1 TIP3 933 29.378 9.656 64.403 1.00 0.00 WT5 H ATOM 52641 H2 TIP3 933 28.240 10.228 63.585 1.00 0.00 WT5 H ATOM 52642 OH2 TIP3 934 26.888 38.460 31.545 1.00 0.00 WT5 O ATOM 52643 H1 TIP3 934 27.292 37.896 30.886 1.00 0.00 WT5 H ATOM 52644 H2 TIP3 934 27.601 38.675 32.147 1.00 0.00 WT5 H ATOM 52645 OH2 TIP3 936 41.414 14.428 -6.314 1.00 0.00 WT5 O ATOM 52646 H1 TIP3 936 40.960 15.113 -5.823 1.00 0.00 WT5 H ATOM 52647 H2 TIP3 936 42.340 14.560 -6.110 1.00 0.00 WT5 H ATOM 52648 OH2 TIP3 940 72.393 81.306 -12.590 1.00 0.00 WT5 O ATOM 52649 H1 TIP3 940 73.070 80.657 -12.778 1.00 0.00 WT5 H ATOM 52650 H2 TIP3 940 72.393 81.384 -11.636 1.00 0.00 WT5 H ATOM 52651 OH2 TIP3 944 90.407 82.853 50.829 1.00 0.00 WT5 O ATOM 52652 H1 TIP3 944 89.766 83.486 50.505 1.00 0.00 WT5 H ATOM 52653 H2 TIP3 944 90.683 82.370 50.050 1.00 0.00 WT5 H ATOM 52654 OH2 TIP3 954 71.227 23.403 7.232 1.00 0.00 WT5 O ATOM 52655 H1 TIP3 954 71.262 22.531 7.626 1.00 0.00 WT5 H ATOM 52656 H2 TIP3 954 71.139 23.239 6.293 1.00 0.00 WT5 H ATOM 52657 OH2 TIP3 958 76.460 44.621 16.193 1.00 0.00 WT5 O ATOM 52658 H1 TIP3 958 76.465 44.512 17.144 1.00 0.00 WT5 H ATOM 52659 H2 TIP3 958 76.501 43.729 15.849 1.00 0.00 WT5 H ATOM 52660 OH2 TIP3 960 29.656 90.721 -16.549 1.00 0.00 WT5 O ATOM 52661 H1 TIP3 960 30.406 91.147 -16.135 1.00 0.00 WT5 H ATOM 52662 H2 TIP3 960 30.041 90.133 -17.199 1.00 0.00 WT5 H ATOM 52663 OH2 TIP3 969 69.028 67.811 -2.555 1.00 0.00 WT5 O ATOM 52664 H1 TIP3 969 68.139 67.457 -2.553 1.00 0.00 WT5 H ATOM 52665 H2 TIP3 969 69.588 67.055 -2.378 1.00 0.00 WT5 H ATOM 52666 OH2 TIP3 978 62.974 48.661 39.022 1.00 0.00 WT5 O ATOM 52667 H1 TIP3 978 63.280 48.830 38.131 1.00 0.00 WT5 H ATOM 52668 H2 TIP3 978 62.159 49.157 39.094 1.00 0.00 WT5 H ATOM 52669 OH2 TIP3 981 68.947 78.820 30.758 1.00 0.00 WT5 O ATOM 52670 H1 TIP3 981 69.089 78.406 31.609 1.00 0.00 WT5 H ATOM 52671 H2 TIP3 981 68.476 79.628 30.960 1.00 0.00 WT5 H ATOM 52672 OH2 TIP3 982 66.736 23.288 -15.947 1.00 0.00 WT5 O ATOM 52673 H1 TIP3 982 66.930 22.452 -15.525 1.00 0.00 WT5 H ATOM 52674 H2 TIP3 982 65.783 23.294 -16.041 1.00 0.00 WT5 H ATOM 52675 OH2 TIP3 983 56.927 35.042 -15.836 1.00 0.00 WT5 O ATOM 52676 H1 TIP3 983 57.767 34.930 -15.391 1.00 0.00 WT5 H ATOM 52677 H2 TIP3 983 56.307 34.540 -15.307 1.00 0.00 WT5 H ATOM 52678 OH2 TIP3 986 82.973 28.763 62.576 1.00 0.00 WT5 O ATOM 52679 H1 TIP3 986 82.906 29.654 62.232 1.00 0.00 WT5 H ATOM 52680 H2 TIP3 986 83.480 28.855 63.382 1.00 0.00 WT5 H ATOM 52681 OH2 TIP3 999 72.155 4.584 58.449 1.00 0.00 WT5 O ATOM 52682 H1 TIP3 999 71.813 4.378 59.319 1.00 0.00 WT5 H ATOM 52683 H2 TIP3 999 73.052 4.249 58.458 1.00 0.00 WT5 H ATOM 52684 OH2 TIP3 1013 29.102 50.991 19.643 1.00 0.00 WT5 O ATOM 52685 H1 TIP3 1013 29.929 51.365 19.947 1.00 0.00 WT5 H ATOM 52686 H2 TIP3 1013 28.854 50.369 20.326 1.00 0.00 WT5 H ATOM 52687 OH2 TIP3 1018 25.268 78.249 64.206 1.00 0.00 WT5 O ATOM 52688 H1 TIP3 1018 25.594 79.132 64.033 1.00 0.00 WT5 H ATOM 52689 H2 TIP3 1018 25.406 77.777 63.384 1.00 0.00 WT5 H ATOM 52690 OH2 TIP3 1019 48.105 7.096 33.874 1.00 0.00 WT5 O ATOM 52691 H1 TIP3 1019 47.362 6.607 33.520 1.00 0.00 WT5 H ATOM 52692 H2 TIP3 1019 48.847 6.497 33.794 1.00 0.00 WT5 H ATOM 52693 OH2 TIP3 1024 24.165 12.168 47.550 1.00 0.00 WT5 O ATOM 52694 H1 TIP3 1024 23.210 12.139 47.612 1.00 0.00 WT5 H ATOM 52695 H2 TIP3 1024 24.359 11.840 46.672 1.00 0.00 WT5 H ATOM 52696 OH2 TIP3 1025 34.416 23.881 47.007 1.00 0.00 WT5 O ATOM 52697 H1 TIP3 1025 33.719 23.682 46.382 1.00 0.00 WT5 H ATOM 52698 H2 TIP3 1025 34.650 23.033 47.385 1.00 0.00 WT5 H ATOM 52699 OH2 TIP3 1043 24.097 11.615 9.350 1.00 0.00 WT5 O ATOM 52700 H1 TIP3 1043 24.442 10.784 9.025 1.00 0.00 WT5 H ATOM 52701 H2 TIP3 1043 24.858 12.194 9.383 1.00 0.00 WT5 H ATOM 52702 OH2 TIP3 1048 42.459 12.595 -15.790 1.00 0.00 WT5 O ATOM 52703 H1 TIP3 1048 43.090 12.395 -15.100 1.00 0.00 WT5 H ATOM 52704 H2 TIP3 1048 42.516 11.852 -16.391 1.00 0.00 WT5 H ATOM 52705 OH2 TIP3 1052 62.946 7.763 33.904 1.00 0.00 WT5 O ATOM 52706 H1 TIP3 1052 62.537 7.553 34.743 1.00 0.00 WT5 H ATOM 52707 H2 TIP3 1052 63.886 7.705 34.075 1.00 0.00 WT5 H ATOM 52708 OH2 TIP3 1061 76.101 64.797 59.216 1.00 0.00 WT5 O ATOM 52709 H1 TIP3 1061 76.171 65.375 58.456 1.00 0.00 WT5 H ATOM 52710 H2 TIP3 1061 76.855 65.025 59.761 1.00 0.00 WT5 H ATOM 52711 OH2 TIP3 1066 90.388 8.316 7.658 1.00 0.00 WT5 O ATOM 52712 H1 TIP3 1066 89.744 7.923 8.248 1.00 0.00 WT5 H ATOM 52713 H2 TIP3 1066 90.762 7.574 7.183 1.00 0.00 WT5 H ATOM 52714 OH2 TIP3 1071 62.385 36.579 -17.974 1.00 0.00 WT5 O ATOM 52715 H1 TIP3 1071 62.184 36.214 -18.836 1.00 0.00 WT5 H ATOM 52716 H2 TIP3 1071 61.530 36.716 -17.567 1.00 0.00 WT5 H ATOM 52717 OH2 TIP3 1076 20.439 26.608 0.287 1.00 0.00 WT5 O ATOM 52718 H1 TIP3 1076 20.981 26.947 0.999 1.00 0.00 WT5 H ATOM 52719 H2 TIP3 1076 21.065 26.238 -0.336 1.00 0.00 WT5 H ATOM 52720 OH2 TIP3 1077 35.713 37.307 56.406 1.00 0.00 WT5 O ATOM 52721 H1 TIP3 1077 35.377 38.143 56.730 1.00 0.00 WT5 H ATOM 52722 H2 TIP3 1077 35.072 36.661 56.702 1.00 0.00 WT5 H ATOM 52723 OH2 TIP3 1098 82.010 71.477 66.304 1.00 0.00 WT5 O ATOM 52724 H1 TIP3 1098 81.754 71.218 65.419 1.00 0.00 WT5 H ATOM 52725 H2 TIP3 1098 81.444 70.960 66.878 1.00 0.00 WT5 H ATOM 52726 OH2 TIP3 1104 88.109 22.090 9.593 1.00 0.00 WT5 O ATOM 52727 H1 TIP3 1104 88.518 21.241 9.422 1.00 0.00 WT5 H ATOM 52728 H2 TIP3 1104 88.770 22.731 9.332 1.00 0.00 WT5 H ATOM 52729 OH2 TIP3 1122 20.560 83.803 55.026 1.00 0.00 WT5 O ATOM 52730 H1 TIP3 1122 20.584 84.418 55.760 1.00 0.00 WT5 H ATOM 52731 H2 TIP3 1122 20.650 84.354 54.249 1.00 0.00 WT5 H ATOM 52732 OH2 TIP3 1125 44.157 69.992 -16.827 1.00 0.00 WT5 O ATOM 52733 H1 TIP3 1125 43.817 70.841 -17.111 1.00 0.00 WT5 H ATOM 52734 H2 TIP3 1125 44.028 69.987 -15.878 1.00 0.00 WT5 H ATOM 52735 OH2 TIP3 1138 70.759 37.364 42.988 1.00 0.00 WT5 O ATOM 52736 H1 TIP3 1138 69.950 36.976 43.322 1.00 0.00 WT5 H ATOM 52737 H2 TIP3 1138 70.776 38.244 43.364 1.00 0.00 WT5 H ATOM 52738 OH2 TIP3 1153 78.785 57.042 7.797 1.00 0.00 WT5 O ATOM 52739 H1 TIP3 1153 78.237 56.264 7.898 1.00 0.00 WT5 H ATOM 52740 H2 TIP3 1153 79.011 57.295 8.692 1.00 0.00 WT5 H ATOM 52741 OH2 TIP3 1154 34.728 69.365 36.235 1.00 0.00 WT5 O ATOM 52742 H1 TIP3 1154 34.232 69.921 35.633 1.00 0.00 WT5 H ATOM 52743 H2 TIP3 1154 35.569 69.231 35.799 1.00 0.00 WT5 H ATOM 52744 OH2 TIP3 1163 86.093 53.346 -8.009 1.00 0.00 WT5 O ATOM 52745 H1 TIP3 1163 85.581 53.166 -7.221 1.00 0.00 WT5 H ATOM 52746 H2 TIP3 1163 85.572 52.981 -8.724 1.00 0.00 WT5 H ATOM 52747 OH2 TIP3 1168 26.891 13.256 6.452 1.00 0.00 WT5 O ATOM 52748 H1 TIP3 1168 27.704 12.798 6.239 1.00 0.00 WT5 H ATOM 52749 H2 TIP3 1168 27.140 14.179 6.501 1.00 0.00 WT5 H ATOM 52750 OH2 TIP3 1173 58.421 16.017 56.978 1.00 0.00 WT5 O ATOM 52751 H1 TIP3 1173 58.251 16.751 57.569 1.00 0.00 WT5 H ATOM 52752 H2 TIP3 1173 58.038 16.287 56.143 1.00 0.00 WT5 H ATOM 52753 OH2 TIP3 1182 87.568 36.709 0.030 1.00 0.00 WT5 O ATOM 52754 H1 TIP3 1182 87.533 35.843 0.435 1.00 0.00 WT5 H ATOM 52755 H2 TIP3 1182 88.428 37.053 0.271 1.00 0.00 WT5 H ATOM 52756 OH2 TIP3 1192 42.874 74.010 30.304 1.00 0.00 WT5 O ATOM 52757 H1 TIP3 1192 43.015 74.502 31.114 1.00 0.00 WT5 H ATOM 52758 H2 TIP3 1192 43.755 73.787 30.003 1.00 0.00 WT5 H ATOM 52759 OH2 TIP3 1194 66.827 41.275 56.948 1.00 0.00 WT5 O ATOM 52760 H1 TIP3 1194 66.737 40.453 56.465 1.00 0.00 WT5 H ATOM 52761 H2 TIP3 1194 66.014 41.349 57.449 1.00 0.00 WT5 H ATOM 52762 OH2 TIP3 1195 87.652 35.868 50.838 1.00 0.00 WT5 O ATOM 52763 H1 TIP3 1195 87.034 35.490 50.213 1.00 0.00 WT5 H ATOM 52764 H2 TIP3 1195 87.240 36.685 51.118 1.00 0.00 WT5 H ATOM 52765 OH2 TIP3 1204 67.546 21.162 -14.448 1.00 0.00 WT5 O ATOM 52766 H1 TIP3 1204 66.835 21.056 -13.816 1.00 0.00 WT5 H ATOM 52767 H2 TIP3 1204 68.342 20.990 -13.944 1.00 0.00 WT5 H ATOM 52768 OH2 TIP3 1207 38.449 62.393 29.821 1.00 0.00 WT5 O ATOM 52769 H1 TIP3 1207 38.981 62.867 30.459 1.00 0.00 WT5 H ATOM 52770 H2 TIP3 1207 38.333 61.523 30.204 1.00 0.00 WT5 H ATOM 52771 OH2 TIP3 1209 66.745 53.984 15.414 1.00 0.00 WT5 O ATOM 52772 H1 TIP3 1209 66.164 53.815 16.155 1.00 0.00 WT5 H ATOM 52773 H2 TIP3 1209 66.179 53.920 14.645 1.00 0.00 WT5 H ATOM 52774 OH2 TIP3 1213 32.270 34.332 66.926 1.00 0.00 WT5 O ATOM 52775 H1 TIP3 1213 31.866 35.054 66.444 1.00 0.00 WT5 H ATOM 52776 H2 TIP3 1213 32.526 34.718 67.764 1.00 0.00 WT5 H ATOM 52777 OH2 TIP3 1216 29.075 52.569 49.458 1.00 0.00 WT5 O ATOM 52778 H1 TIP3 1216 29.602 53.121 50.036 1.00 0.00 WT5 H ATOM 52779 H2 TIP3 1216 29.713 52.023 49.000 1.00 0.00 WT5 H ATOM 52780 OH2 TIP3 1217 85.699 75.187 42.680 1.00 0.00 WT5 O ATOM 52781 H1 TIP3 1217 85.892 74.427 43.229 1.00 0.00 WT5 H ATOM 52782 H2 TIP3 1217 86.329 75.131 41.962 1.00 0.00 WT5 H ATOM 52783 OH2 TIP3 1235 59.035 37.520 36.023 1.00 0.00 WT5 O ATOM 52784 H1 TIP3 1235 59.287 37.488 35.100 1.00 0.00 WT5 H ATOM 52785 H2 TIP3 1235 58.580 36.692 36.178 1.00 0.00 WT5 H ATOM 52786 OH2 TIP3 1240 51.624 61.732 2.229 1.00 0.00 WT5 O ATOM 52787 H1 TIP3 1240 52.390 61.272 2.574 1.00 0.00 WT5 H ATOM 52788 H2 TIP3 1240 51.708 62.623 2.568 1.00 0.00 WT5 H ATOM 52789 OH2 TIP3 1252 79.218 31.715 6.219 1.00 0.00 WT5 O ATOM 52790 H1 TIP3 1252 78.870 31.133 6.895 1.00 0.00 WT5 H ATOM 52791 H2 TIP3 1252 79.341 32.553 6.664 1.00 0.00 WT5 H ATOM 52792 OH2 TIP3 1253 57.305 19.869 -17.234 1.00 0.00 WT5 O ATOM 52793 H1 TIP3 1253 57.853 19.580 -16.504 1.00 0.00 WT5 H ATOM 52794 H2 TIP3 1253 56.439 19.512 -17.039 1.00 0.00 WT5 H ATOM 52795 OH2 TIP3 1258 39.902 43.985 13.450 1.00 0.00 WT5 O ATOM 52796 H1 TIP3 1258 40.050 44.892 13.183 1.00 0.00 WT5 H ATOM 52797 H2 TIP3 1258 40.175 43.464 12.694 1.00 0.00 WT5 H ATOM 52798 OH2 TIP3 1264 34.203 50.430 25.060 1.00 0.00 WT5 O ATOM 52799 H1 TIP3 1264 33.625 50.051 25.722 1.00 0.00 WT5 H ATOM 52800 H2 TIP3 1264 33.831 51.294 24.883 1.00 0.00 WT5 H ATOM 52801 OH2 TIP3 1269 79.166 11.946 2.010 1.00 0.00 WT5 O ATOM 52802 H1 TIP3 1269 79.334 11.230 2.623 1.00 0.00 WT5 H ATOM 52803 H2 TIP3 1269 78.381 12.374 2.351 1.00 0.00 WT5 H ATOM 52804 OH2 TIP3 1277 23.247 28.503 18.035 1.00 0.00 WT5 O ATOM 52805 H1 TIP3 1277 24.043 29.023 17.926 1.00 0.00 WT5 H ATOM 52806 H2 TIP3 1277 22.584 28.969 17.525 1.00 0.00 WT5 H ATOM 52807 OH2 TIP3 1278 40.421 50.220 3.773 1.00 0.00 WT5 O ATOM 52808 H1 TIP3 1278 39.675 49.641 3.926 1.00 0.00 WT5 H ATOM 52809 H2 TIP3 1278 40.933 50.171 4.580 1.00 0.00 WT5 H ATOM 52810 OH2 TIP3 1281 69.343 50.933 61.859 1.00 0.00 WT5 O ATOM 52811 H1 TIP3 1281 69.834 51.676 61.508 1.00 0.00 WT5 H ATOM 52812 H2 TIP3 1281 68.427 51.141 61.673 1.00 0.00 WT5 H ATOM 52813 OH2 TIP3 1285 30.957 60.553 -14.620 1.00 0.00 WT5 O ATOM 52814 H1 TIP3 1285 30.476 60.321 -13.826 1.00 0.00 WT5 H ATOM 52815 H2 TIP3 1285 31.571 59.830 -14.748 1.00 0.00 WT5 H ATOM 52816 OH2 TIP3 1287 29.131 89.124 5.417 1.00 0.00 WT5 O ATOM 52817 H1 TIP3 1287 29.672 89.594 6.052 1.00 0.00 WT5 H ATOM 52818 H2 TIP3 1287 29.741 88.868 4.725 1.00 0.00 WT5 H ATOM 52819 OH2 TIP3 1295 62.524 76.584 62.699 1.00 0.00 WT5 O ATOM 52820 H1 TIP3 1295 62.509 76.675 63.652 1.00 0.00 WT5 H ATOM 52821 H2 TIP3 1295 63.282 76.026 62.524 1.00 0.00 WT5 H ATOM 52822 OH2 TIP3 1298 57.569 12.290 36.281 1.00 0.00 WT5 O ATOM 52823 H1 TIP3 1298 56.870 12.499 36.900 1.00 0.00 WT5 H ATOM 52824 H2 TIP3 1298 57.647 13.071 35.733 1.00 0.00 WT5 H ATOM 52825 OH2 TIP3 1301 64.154 26.420 56.496 1.00 0.00 WT5 O ATOM 52826 H1 TIP3 1301 63.883 25.611 56.930 1.00 0.00 WT5 H ATOM 52827 H2 TIP3 1301 64.471 26.138 55.638 1.00 0.00 WT5 H ATOM 52828 OH2 TIP3 1303 36.147 61.311 27.722 1.00 0.00 WT5 O ATOM 52829 H1 TIP3 1303 36.575 61.351 26.866 1.00 0.00 WT5 H ATOM 52830 H2 TIP3 1303 36.576 61.995 28.236 1.00 0.00 WT5 H ATOM 52831 OH2 TIP3 1312 53.255 1.297 -1.893 1.00 0.00 WT5 O ATOM 52832 H1 TIP3 1312 53.103 1.597 -0.997 1.00 0.00 WT5 H ATOM 52833 H2 TIP3 1312 52.789 1.930 -2.440 1.00 0.00 WT5 H ATOM 52834 OH2 TIP3 1318 59.135 81.532 -12.018 1.00 0.00 WT5 O ATOM 52835 H1 TIP3 1318 59.580 80.920 -11.432 1.00 0.00 WT5 H ATOM 52836 H2 TIP3 1318 58.343 81.069 -12.292 1.00 0.00 WT5 H ATOM 52837 OH2 TIP3 1336 79.245 34.779 -11.859 1.00 0.00 WT5 O ATOM 52838 H1 TIP3 1336 78.739 34.000 -11.630 1.00 0.00 WT5 H ATOM 52839 H2 TIP3 1336 78.951 35.447 -11.241 1.00 0.00 WT5 H ATOM 52840 OH2 TIP3 1345 46.215 51.932 25.963 1.00 0.00 WT5 O ATOM 52841 H1 TIP3 1345 46.857 51.231 25.857 1.00 0.00 WT5 H ATOM 52842 H2 TIP3 1345 46.413 52.547 25.257 1.00 0.00 WT5 H ATOM 52843 OH2 TIP3 1354 80.785 83.682 -17.917 1.00 0.00 WT5 O ATOM 52844 H1 TIP3 1354 80.888 83.340 -18.805 1.00 0.00 WT5 H ATOM 52845 H2 TIP3 1354 81.673 83.693 -17.560 1.00 0.00 WT5 H ATOM 52846 OH2 TIP3 1366 59.596 29.148 51.001 1.00 0.00 WT5 O ATOM 52847 H1 TIP3 1366 58.692 29.182 51.316 1.00 0.00 WT5 H ATOM 52848 H2 TIP3 1366 59.970 29.992 51.255 1.00 0.00 WT5 H ATOM 52849 OH2 TIP3 1370 64.368 6.319 44.204 1.00 0.00 WT5 O ATOM 52850 H1 TIP3 1370 64.685 6.958 44.842 1.00 0.00 WT5 H ATOM 52851 H2 TIP3 1370 64.795 6.566 43.384 1.00 0.00 WT5 H ATOM 52852 OH2 TIP3 1373 79.676 63.544 8.837 1.00 0.00 WT5 O ATOM 52853 H1 TIP3 1373 79.154 63.482 8.037 1.00 0.00 WT5 H ATOM 52854 H2 TIP3 1373 79.527 62.712 9.286 1.00 0.00 WT5 H ATOM 52855 OH2 TIP3 1381 62.295 42.143 1.800 1.00 0.00 WT5 O ATOM 52856 H1 TIP3 1381 61.584 41.529 1.986 1.00 0.00 WT5 H ATOM 52857 H2 TIP3 1381 62.459 42.581 2.635 1.00 0.00 WT5 H ATOM 52858 OH2 TIP3 1382 86.213 60.375 -17.120 1.00 0.00 WT5 O ATOM 52859 H1 TIP3 1382 86.866 60.022 -17.724 1.00 0.00 WT5 H ATOM 52860 H2 TIP3 1382 86.448 61.298 -17.025 1.00 0.00 WT5 H ATOM 52861 OH2 TIP3 1383 20.863 81.174 59.183 1.00 0.00 WT5 O ATOM 52862 H1 TIP3 1383 20.853 80.566 59.922 1.00 0.00 WT5 H ATOM 52863 H2 TIP3 1383 21.574 81.783 59.383 1.00 0.00 WT5 H ATOM 52864 OH2 TIP3 1387 29.187 14.062 61.735 1.00 0.00 WT5 O ATOM 52865 H1 TIP3 1387 28.377 14.239 62.214 1.00 0.00 WT5 H ATOM 52866 H2 TIP3 1387 29.782 13.706 62.395 1.00 0.00 WT5 H ATOM 52867 OH2 TIP3 1395 84.065 36.590 35.864 1.00 0.00 WT5 O ATOM 52868 H1 TIP3 1395 84.489 36.896 36.665 1.00 0.00 WT5 H ATOM 52869 H2 TIP3 1395 83.446 35.922 36.160 1.00 0.00 WT5 H ATOM 52870 OH2 TIP3 1399 35.107 10.299 16.234 1.00 0.00 WT5 O ATOM 52871 H1 TIP3 1399 34.530 10.760 15.625 1.00 0.00 WT5 H ATOM 52872 H2 TIP3 1399 35.754 10.954 16.495 1.00 0.00 WT5 H ATOM 52873 OH2 TIP3 1401 71.271 21.359 -1.813 1.00 0.00 WT5 O ATOM 52874 H1 TIP3 1401 72.176 21.489 -1.533 1.00 0.00 WT5 H ATOM 52875 H2 TIP3 1401 70.755 21.455 -1.013 1.00 0.00 WT5 H ATOM 52876 OH2 TIP3 1408 53.811 54.901 -13.069 1.00 0.00 WT5 O ATOM 52877 H1 TIP3 1408 54.293 55.104 -12.267 1.00 0.00 WT5 H ATOM 52878 H2 TIP3 1408 52.953 55.306 -12.942 1.00 0.00 WT5 H ATOM 52879 OH2 TIP3 1409 37.616 84.552 20.446 1.00 0.00 WT5 O ATOM 52880 H1 TIP3 1409 37.440 83.987 19.694 1.00 0.00 WT5 H ATOM 52881 H2 TIP3 1409 38.563 84.494 20.574 1.00 0.00 WT5 H ATOM 52882 OH2 TIP3 1414 59.228 78.889 38.488 1.00 0.00 WT5 O ATOM 52883 H1 TIP3 1414 59.449 79.117 39.391 1.00 0.00 WT5 H ATOM 52884 H2 TIP3 1414 59.042 77.950 38.516 1.00 0.00 WT5 H ATOM 52885 OH2 TIP3 1429 32.282 63.956 24.046 1.00 0.00 WT5 O ATOM 52886 H1 TIP3 1429 33.231 64.078 24.070 1.00 0.00 WT5 H ATOM 52887 H2 TIP3 1429 32.063 63.611 24.912 1.00 0.00 WT5 H ATOM 52888 OH2 TIP3 1433 28.165 94.529 66.739 1.00 0.00 WT5 O ATOM 52889 H1 TIP3 1433 28.391 93.758 67.258 1.00 0.00 WT5 H ATOM 52890 H2 TIP3 1433 27.697 95.100 67.348 1.00 0.00 WT5 H ATOM 52891 OH2 TIP3 1436 87.880 86.841 56.698 1.00 0.00 WT5 O ATOM 52892 H1 TIP3 1436 88.400 86.630 57.474 1.00 0.00 WT5 H ATOM 52893 H2 TIP3 1436 88.002 87.783 56.577 1.00 0.00 WT5 H ATOM 52894 OH2 TIP3 1440 89.851 87.267 -12.286 1.00 0.00 WT5 O ATOM 52895 H1 TIP3 1440 89.559 87.694 -11.481 1.00 0.00 WT5 H ATOM 52896 H2 TIP3 1440 89.118 87.371 -12.892 1.00 0.00 WT5 H ATOM 52897 OH2 TIP3 1445 70.210 35.556 15.216 1.00 0.00 WT5 O ATOM 52898 H1 TIP3 1445 69.710 36.276 14.833 1.00 0.00 WT5 H ATOM 52899 H2 TIP3 1445 69.604 35.143 15.832 1.00 0.00 WT5 H ATOM 52900 OH2 TIP3 1447 75.995 40.562 34.537 1.00 0.00 WT5 O ATOM 52901 H1 TIP3 1447 75.109 40.838 34.773 1.00 0.00 WT5 H ATOM 52902 H2 TIP3 1447 76.435 41.370 34.271 1.00 0.00 WT5 H ATOM 52903 OH2 TIP3 1451 74.836 73.509 -3.412 1.00 0.00 WT5 O ATOM 52904 H1 TIP3 1451 74.947 74.278 -2.853 1.00 0.00 WT5 H ATOM 52905 H2 TIP3 1451 75.022 72.766 -2.838 1.00 0.00 WT5 H ATOM 52906 OH2 TIP3 1459 72.472 74.451 52.531 1.00 0.00 WT5 O ATOM 52907 H1 TIP3 1459 72.991 74.091 53.250 1.00 0.00 WT5 H ATOM 52908 H2 TIP3 1459 72.586 75.399 52.604 1.00 0.00 WT5 H ATOM 52909 OH2 TIP3 1466 21.731 71.134 47.212 1.00 0.00 WT5 O ATOM 52910 H1 TIP3 1466 20.881 71.568 47.285 1.00 0.00 WT5 H ATOM 52911 H2 TIP3 1466 21.729 70.748 46.336 1.00 0.00 WT5 H ATOM 52912 OH2 TIP3 1473 64.894 93.499 28.879 1.00 0.00 WT5 O ATOM 52913 H1 TIP3 1473 64.746 93.981 29.692 1.00 0.00 WT5 H ATOM 52914 H2 TIP3 1473 64.842 92.578 29.134 1.00 0.00 WT5 H ATOM 52915 OH2 TIP3 1476 86.573 61.270 -11.548 1.00 0.00 WT5 O ATOM 52916 H1 TIP3 1476 87.287 60.871 -11.050 1.00 0.00 WT5 H ATOM 52917 H2 TIP3 1476 86.876 61.256 -12.455 1.00 0.00 WT5 H ATOM 52918 OH2 TIP3 1477 24.689 65.444 9.834 1.00 0.00 WT5 O ATOM 52919 H1 TIP3 1477 25.349 66.008 9.431 1.00 0.00 WT5 H ATOM 52920 H2 TIP3 1477 25.135 65.052 10.585 1.00 0.00 WT5 H ATOM 52921 OH2 TIP3 1480 70.455 87.680 66.348 1.00 0.00 WT5 O ATOM 52922 H1 TIP3 1480 70.849 88.550 66.423 1.00 0.00 WT5 H ATOM 52923 H2 TIP3 1480 70.896 87.159 67.019 1.00 0.00 WT5 H ATOM 52924 OH2 TIP3 1483 32.016 35.494 13.308 1.00 0.00 WT5 O ATOM 52925 H1 TIP3 1483 31.655 34.623 13.477 1.00 0.00 WT5 H ATOM 52926 H2 TIP3 1483 32.747 35.573 13.921 1.00 0.00 WT5 H ATOM 52927 OH2 TIP3 1486 35.896 5.867 36.051 1.00 0.00 WT5 O ATOM 52928 H1 TIP3 1486 36.615 5.273 36.269 1.00 0.00 WT5 H ATOM 52929 H2 TIP3 1486 35.831 5.825 35.097 1.00 0.00 WT5 H ATOM 52930 OH2 TIP3 1492 44.393 50.672 45.429 1.00 0.00 WT5 O ATOM 52931 H1 TIP3 1492 44.259 49.965 44.797 1.00 0.00 WT5 H ATOM 52932 H2 TIP3 1492 45.225 51.069 45.173 1.00 0.00 WT5 H ATOM 52933 OH2 TIP3 1508 87.794 39.264 7.470 1.00 0.00 WT5 O ATOM 52934 H1 TIP3 1508 88.408 38.992 6.787 1.00 0.00 WT5 H ATOM 52935 H2 TIP3 1508 87.420 38.446 7.796 1.00 0.00 WT5 H ATOM 52936 OH2 TIP3 1509 33.926 33.657 58.524 1.00 0.00 WT5 O ATOM 52937 H1 TIP3 1509 34.613 33.180 58.059 1.00 0.00 WT5 H ATOM 52938 H2 TIP3 1509 34.097 33.483 59.450 1.00 0.00 WT5 H ATOM 52939 OH2 TIP3 1518 30.313 85.286 23.823 1.00 0.00 WT5 O ATOM 52940 H1 TIP3 1518 30.270 84.347 23.641 1.00 0.00 WT5 H ATOM 52941 H2 TIP3 1518 30.409 85.693 22.961 1.00 0.00 WT5 H ATOM 52942 OH2 TIP3 1524 59.710 17.647 35.732 1.00 0.00 WT5 O ATOM 52943 H1 TIP3 1524 60.143 17.794 34.891 1.00 0.00 WT5 H ATOM 52944 H2 TIP3 1524 59.351 18.502 35.969 1.00 0.00 WT5 H ATOM 52945 OH2 TIP3 1527 30.059 55.768 -3.358 1.00 0.00 WT5 O ATOM 52946 H1 TIP3 1527 29.829 55.983 -2.454 1.00 0.00 WT5 H ATOM 52947 H2 TIP3 1527 30.413 54.880 -3.312 1.00 0.00 WT5 H ATOM 52948 OH2 TIP3 1546 75.393 58.139 56.201 1.00 0.00 WT5 O ATOM 52949 H1 TIP3 1546 74.767 58.862 56.226 1.00 0.00 WT5 H ATOM 52950 H2 TIP3 1546 74.861 57.367 56.007 1.00 0.00 WT5 H ATOM 52951 OH2 TIP3 1557 24.435 -0.151 8.343 1.00 0.00 WT5 O ATOM 52952 H1 TIP3 1557 24.916 0.665 8.204 1.00 0.00 WT5 H ATOM 52953 H2 TIP3 1557 23.538 0.127 8.528 1.00 0.00 WT5 H ATOM 52954 OH2 TIP3 1573 57.586 70.492 -11.775 1.00 0.00 WT5 O ATOM 52955 H1 TIP3 1573 56.754 70.278 -11.353 1.00 0.00 WT5 H ATOM 52956 H2 TIP3 1573 58.185 70.666 -11.050 1.00 0.00 WT5 H ATOM 52957 OH2 TIP3 1574 82.648 86.603 23.165 1.00 0.00 WT5 O ATOM 52958 H1 TIP3 1574 82.218 87.082 23.874 1.00 0.00 WT5 H ATOM 52959 H2 TIP3 1574 82.538 85.681 23.397 1.00 0.00 WT5 H ATOM 52960 OH2 TIP3 1589 42.720 9.672 44.387 1.00 0.00 WT5 O ATOM 52961 H1 TIP3 1589 43.647 9.538 44.192 1.00 0.00 WT5 H ATOM 52962 H2 TIP3 1589 42.270 9.464 43.568 1.00 0.00 WT5 H ATOM 52963 OH2 TIP3 1592 74.293 43.313 3.218 1.00 0.00 WT5 O ATOM 52964 H1 TIP3 1592 73.627 43.945 3.488 1.00 0.00 WT5 H ATOM 52965 H2 TIP3 1592 74.051 42.503 3.668 1.00 0.00 WT5 H ATOM 52966 OH2 TIP3 1599 67.172 25.149 -5.497 1.00 0.00 WT5 O ATOM 52967 H1 TIP3 1599 67.515 24.385 -5.032 1.00 0.00 WT5 H ATOM 52968 H2 TIP3 1599 67.917 25.745 -5.562 1.00 0.00 WT5 H ATOM 52969 OH2 TIP3 1600 87.362 65.952 22.316 1.00 0.00 WT5 O ATOM 52970 H1 TIP3 1600 87.736 65.165 21.920 1.00 0.00 WT5 H ATOM 52971 H2 TIP3 1600 87.030 66.459 21.576 1.00 0.00 WT5 H ATOM 52972 OH2 TIP3 1612 66.198 46.280 37.228 1.00 0.00 WT5 O ATOM 52973 H1 TIP3 1612 66.785 45.850 36.606 1.00 0.00 WT5 H ATOM 52974 H2 TIP3 1612 65.448 46.554 36.701 1.00 0.00 WT5 H ATOM 52975 OH2 TIP3 1613 72.805 53.334 -19.014 1.00 0.00 WT5 O ATOM 52976 H1 TIP3 1613 72.632 54.206 -18.661 1.00 0.00 WT5 H ATOM 52977 H2 TIP3 1613 72.133 52.778 -18.621 1.00 0.00 WT5 H ATOM 52978 OH2 TIP3 1615 78.760 70.444 22.261 1.00 0.00 WT5 O ATOM 52979 H1 TIP3 1615 78.851 69.497 22.163 1.00 0.00 WT5 H ATOM 52980 H2 TIP3 1615 77.816 70.589 22.324 1.00 0.00 WT5 H ATOM 52981 OH2 TIP3 1618 82.793 37.343 60.981 1.00 0.00 WT5 O ATOM 52982 H1 TIP3 1618 83.343 37.702 61.677 1.00 0.00 WT5 H ATOM 52983 H2 TIP3 1618 83.255 37.562 60.172 1.00 0.00 WT5 H ATOM 52984 OH2 TIP3 1624 80.151 33.887 54.582 1.00 0.00 WT5 O ATOM 52985 H1 TIP3 1624 81.054 33.642 54.784 1.00 0.00 WT5 H ATOM 52986 H2 TIP3 1624 80.165 34.844 54.547 1.00 0.00 WT5 H ATOM 52987 OH2 TIP3 1625 90.154 70.082 63.243 1.00 0.00 WT5 O ATOM 52988 H1 TIP3 1625 89.343 70.334 62.801 1.00 0.00 WT5 H ATOM 52989 H2 TIP3 1625 89.875 69.792 64.111 1.00 0.00 WT5 H ATOM 52990 OH2 TIP3 1627 25.252 65.774 42.901 1.00 0.00 WT5 O ATOM 52991 H1 TIP3 1627 26.127 66.134 43.041 1.00 0.00 WT5 H ATOM 52992 H2 TIP3 1627 24.808 65.887 43.742 1.00 0.00 WT5 H ATOM 52993 OH2 TIP3 1629 55.435 1.297 61.907 1.00 0.00 WT5 O ATOM 52994 H1 TIP3 1629 56.282 1.726 62.029 1.00 0.00 WT5 H ATOM 52995 H2 TIP3 1629 55.611 0.592 61.284 1.00 0.00 WT5 H ATOM 52996 OH2 TIP3 1631 36.214 81.203 26.998 1.00 0.00 WT5 O ATOM 52997 H1 TIP3 1631 37.100 81.011 27.308 1.00 0.00 WT5 H ATOM 52998 H2 TIP3 1631 36.231 80.975 26.068 1.00 0.00 WT5 H ATOM 52999 OH2 TIP3 1636 33.645 33.052 28.731 1.00 0.00 WT5 O ATOM 53000 H1 TIP3 1636 34.136 33.207 29.538 1.00 0.00 WT5 H ATOM 53001 H2 TIP3 1636 32.831 33.542 28.847 1.00 0.00 WT5 H ATOM 53002 OH2 TIP3 1642 69.857 48.729 12.358 1.00 0.00 WT5 O ATOM 53003 H1 TIP3 1642 69.514 49.554 12.702 1.00 0.00 WT5 H ATOM 53004 H2 TIP3 1642 69.426 48.054 12.882 1.00 0.00 WT5 H ATOM 53005 OH2 TIP3 1648 51.056 45.589 -1.570 1.00 0.00 WT5 O ATOM 53006 H1 TIP3 1648 50.749 44.683 -1.538 1.00 0.00 WT5 H ATOM 53007 H2 TIP3 1648 51.573 45.696 -0.772 1.00 0.00 WT5 H ATOM 53008 OH2 TIP3 1651 77.399 67.835 -17.848 1.00 0.00 WT5 O ATOM 53009 H1 TIP3 1651 77.708 66.973 -17.571 1.00 0.00 WT5 H ATOM 53010 H2 TIP3 1651 76.574 67.661 -18.301 1.00 0.00 WT5 H ATOM 53011 OH2 TIP3 1656 84.097 47.461 38.589 1.00 0.00 WT5 O ATOM 53012 H1 TIP3 1656 84.311 46.777 39.223 1.00 0.00 WT5 H ATOM 53013 H2 TIP3 1656 83.391 47.086 38.062 1.00 0.00 WT5 H ATOM 53014 OH2 TIP3 1664 47.091 89.368 -5.344 1.00 0.00 WT5 O ATOM 53015 H1 TIP3 1664 46.254 89.112 -5.731 1.00 0.00 WT5 H ATOM 53016 H2 TIP3 1664 47.609 89.688 -6.082 1.00 0.00 WT5 H ATOM 53017 OH2 TIP3 1678 63.195 48.392 29.925 1.00 0.00 WT5 O ATOM 53018 H1 TIP3 1678 62.308 48.678 29.706 1.00 0.00 WT5 H ATOM 53019 H2 TIP3 1678 63.762 49.081 29.578 1.00 0.00 WT5 H ATOM 53020 OH2 TIP3 1691 37.318 48.271 45.528 1.00 0.00 WT5 O ATOM 53021 H1 TIP3 1691 38.146 48.727 45.374 1.00 0.00 WT5 H ATOM 53022 H2 TIP3 1691 36.809 48.874 46.069 1.00 0.00 WT5 H ATOM 53023 OH2 TIP3 1697 42.197 42.266 24.369 1.00 0.00 WT5 O ATOM 53024 H1 TIP3 1697 42.901 42.682 24.866 1.00 0.00 WT5 H ATOM 53025 H2 TIP3 1697 42.647 41.779 23.678 1.00 0.00 WT5 H ATOM 53026 OH2 TIP3 1698 72.263 68.690 3.238 1.00 0.00 WT5 O ATOM 53027 H1 TIP3 1698 71.984 68.871 4.136 1.00 0.00 WT5 H ATOM 53028 H2 TIP3 1698 71.626 69.150 2.691 1.00 0.00 WT5 H ATOM 53029 OH2 TIP3 1706 30.587 5.688 8.798 1.00 0.00 WT5 O ATOM 53030 H1 TIP3 1706 31.508 5.437 8.867 1.00 0.00 WT5 H ATOM 53031 H2 TIP3 1706 30.246 5.600 9.688 1.00 0.00 WT5 H ATOM 53032 OH2 TIP3 1725 50.937 86.745 3.978 1.00 0.00 WT5 O ATOM 53033 H1 TIP3 1725 50.309 87.305 4.436 1.00 0.00 WT5 H ATOM 53034 H2 TIP3 1725 50.399 86.070 3.565 1.00 0.00 WT5 H ATOM 53035 OH2 TIP3 1737 78.894 78.644 64.914 1.00 0.00 WT5 O ATOM 53036 H1 TIP3 1737 79.147 79.491 64.547 1.00 0.00 WT5 H ATOM 53037 H2 TIP3 1737 78.587 78.138 64.161 1.00 0.00 WT5 H ATOM 53038 OH2 TIP3 1751 24.795 59.566 52.428 1.00 0.00 WT5 O ATOM 53039 H1 TIP3 1751 24.709 59.687 53.374 1.00 0.00 WT5 H ATOM 53040 H2 TIP3 1751 25.134 60.402 52.109 1.00 0.00 WT5 H ATOM 53041 OH2 TIP3 1754 68.621 53.246 -4.836 1.00 0.00 WT5 O ATOM 53042 H1 TIP3 1754 67.899 53.299 -5.462 1.00 0.00 WT5 H ATOM 53043 H2 TIP3 1754 68.969 54.137 -4.795 1.00 0.00 WT5 H ATOM 53044 OH2 TIP3 1758 32.338 47.738 47.590 1.00 0.00 WT5 O ATOM 53045 H1 TIP3 1758 32.805 47.063 47.098 1.00 0.00 WT5 H ATOM 53046 H2 TIP3 1758 32.032 48.352 46.922 1.00 0.00 WT5 H ATOM 53047 OH2 TIP3 1763 87.725 84.833 -18.287 1.00 0.00 WT5 O ATOM 53048 H1 TIP3 1763 88.364 85.353 -17.800 1.00 0.00 WT5 H ATOM 53049 H2 TIP3 1763 88.189 84.026 -18.507 1.00 0.00 WT5 H ATOM 53050 OH2 TIP3 1769 39.989 12.112 -15.048 1.00 0.00 WT5 O ATOM 53051 H1 TIP3 1769 40.800 12.508 -15.366 1.00 0.00 WT5 H ATOM 53052 H2 TIP3 1769 39.433 12.047 -15.824 1.00 0.00 WT5 H ATOM 53053 OH2 TIP3 1771 81.944 63.703 51.381 1.00 0.00 WT5 O ATOM 53054 H1 TIP3 1771 82.320 63.214 52.113 1.00 0.00 WT5 H ATOM 53055 H2 TIP3 1771 82.318 63.294 50.601 1.00 0.00 WT5 H ATOM 53056 OH2 TIP3 1775 22.786 8.228 48.591 1.00 0.00 WT5 O ATOM 53057 H1 TIP3 1775 22.670 8.201 47.641 1.00 0.00 WT5 H ATOM 53058 H2 TIP3 1775 23.735 8.231 48.716 1.00 0.00 WT5 H ATOM 53059 OH2 TIP3 1777 69.317 46.762 7.623 1.00 0.00 WT5 O ATOM 53060 H1 TIP3 1777 68.922 47.379 8.239 1.00 0.00 WT5 H ATOM 53061 H2 TIP3 1777 69.160 45.902 8.011 1.00 0.00 WT5 H ATOM 53062 OH2 TIP3 1778 71.440 30.631 4.808 1.00 0.00 WT5 O ATOM 53063 H1 TIP3 1778 71.652 31.069 3.984 1.00 0.00 WT5 H ATOM 53064 H2 TIP3 1778 72.290 30.410 5.188 1.00 0.00 WT5 H ATOM 53065 OH2 TIP3 1779 30.174 96.374 20.413 1.00 0.00 WT5 O ATOM 53066 H1 TIP3 1779 30.050 96.410 19.465 1.00 0.00 WT5 H ATOM 53067 H2 TIP3 1779 31.118 96.477 20.536 1.00 0.00 WT5 H ATOM 53068 OH2 TIP3 1783 34.921 95.466 20.187 1.00 0.00 WT5 O ATOM 53069 H1 TIP3 1783 35.166 94.651 20.626 1.00 0.00 WT5 H ATOM 53070 H2 TIP3 1783 34.162 95.231 19.652 1.00 0.00 WT5 H ATOM 53071 OH2 TIP3 1803 44.857 41.724 14.354 1.00 0.00 WT5 O ATOM 53072 H1 TIP3 1803 44.081 41.257 14.045 1.00 0.00 WT5 H ATOM 53073 H2 TIP3 1803 44.510 42.469 14.845 1.00 0.00 WT5 H ATOM 53074 OH2 TIP3 1812 35.272 76.941 64.517 1.00 0.00 WT5 O ATOM 53075 H1 TIP3 1812 36.087 76.979 64.016 1.00 0.00 WT5 H ATOM 53076 H2 TIP3 1812 35.034 77.857 64.657 1.00 0.00 WT5 H ATOM 53077 OH2 TIP3 1849 58.409 96.221 44.287 1.00 0.00 WT5 O ATOM 53078 H1 TIP3 1849 58.351 95.450 43.723 1.00 0.00 WT5 H ATOM 53079 H2 TIP3 1849 57.687 96.781 44.003 1.00 0.00 WT5 H ATOM 53080 OH2 TIP3 1853 62.226 33.832 -14.681 1.00 0.00 WT5 O ATOM 53081 H1 TIP3 1853 62.183 33.974 -13.735 1.00 0.00 WT5 H ATOM 53082 H2 TIP3 1853 62.268 32.880 -14.779 1.00 0.00 WT5 H ATOM 53083 OH2 TIP3 1858 75.218 86.708 -10.734 1.00 0.00 WT5 O ATOM 53084 H1 TIP3 1858 75.525 87.035 -11.579 1.00 0.00 WT5 H ATOM 53085 H2 TIP3 1858 75.359 85.762 -10.777 1.00 0.00 WT5 H ATOM 53086 OH2 TIP3 1859 21.345 29.143 28.703 1.00 0.00 WT5 O ATOM 53087 H1 TIP3 1859 21.549 28.456 29.337 1.00 0.00 WT5 H ATOM 53088 H2 TIP3 1859 22.090 29.743 28.751 1.00 0.00 WT5 H ATOM 53089 OH2 TIP3 1864 35.429 35.356 33.274 1.00 0.00 WT5 O ATOM 53090 H1 TIP3 1864 35.866 35.339 32.422 1.00 0.00 WT5 H ATOM 53091 H2 TIP3 1864 35.108 36.253 33.362 1.00 0.00 WT5 H ATOM 53092 OH2 TIP3 1879 43.907 36.339 20.868 1.00 0.00 WT5 O ATOM 53093 H1 TIP3 1879 43.537 35.945 21.658 1.00 0.00 WT5 H ATOM 53094 H2 TIP3 1879 44.830 36.480 21.079 1.00 0.00 WT5 H ATOM 53095 OH2 TIP3 1880 31.883 14.520 39.384 1.00 0.00 WT5 O ATOM 53096 H1 TIP3 1880 31.340 14.382 40.160 1.00 0.00 WT5 H ATOM 53097 H2 TIP3 1880 32.505 15.200 39.643 1.00 0.00 WT5 H ATOM 53098 OH2 TIP3 1882 89.169 6.240 65.370 1.00 0.00 WT5 O ATOM 53099 H1 TIP3 1882 89.711 5.724 64.774 1.00 0.00 WT5 H ATOM 53100 H2 TIP3 1882 89.306 7.147 65.094 1.00 0.00 WT5 H ATOM 53101 OH2 TIP3 1892 71.998 54.358 51.426 1.00 0.00 WT5 O ATOM 53102 H1 TIP3 1892 72.698 54.962 51.179 1.00 0.00 WT5 H ATOM 53103 H2 TIP3 1892 71.239 54.920 51.579 1.00 0.00 WT5 H ATOM 53104 OH2 TIP3 1897 46.439 8.229 3.951 1.00 0.00 WT5 O ATOM 53105 H1 TIP3 1897 46.323 7.323 3.664 1.00 0.00 WT5 H ATOM 53106 H2 TIP3 1897 46.264 8.206 4.892 1.00 0.00 WT5 H ATOM 53107 OH2 TIP3 1898 35.912 22.658 34.868 1.00 0.00 WT5 O ATOM 53108 H1 TIP3 1898 36.001 23.337 34.198 1.00 0.00 WT5 H ATOM 53109 H2 TIP3 1898 34.967 22.549 34.974 1.00 0.00 WT5 H ATOM 53110 OH2 TIP3 1925 65.477 0.375 -6.634 1.00 0.00 WT5 O ATOM 53111 H1 TIP3 1925 66.431 0.437 -6.592 1.00 0.00 WT5 H ATOM 53112 H2 TIP3 1925 65.171 1.270 -6.486 1.00 0.00 WT5 H ATOM 53113 OH2 TIP3 1939 75.585 47.010 56.110 1.00 0.00 WT5 O ATOM 53114 H1 TIP3 1939 76.228 46.320 56.272 1.00 0.00 WT5 H ATOM 53115 H2 TIP3 1939 75.405 46.955 55.171 1.00 0.00 WT5 H ATOM 53116 OH2 TIP3 1949 24.303 20.511 53.679 1.00 0.00 WT5 O ATOM 53117 H1 TIP3 1949 25.167 20.111 53.773 1.00 0.00 WT5 H ATOM 53118 H2 TIP3 1949 23.735 19.793 53.399 1.00 0.00 WT5 H ATOM 53119 OH2 TIP3 1960 72.834 17.501 43.662 1.00 0.00 WT5 O ATOM 53120 H1 TIP3 1960 72.040 17.593 43.136 1.00 0.00 WT5 H ATOM 53121 H2 TIP3 1960 72.951 16.556 43.757 1.00 0.00 WT5 H ATOM 53122 OH2 TIP3 1965 48.591 22.410 19.591 1.00 0.00 WT5 O ATOM 53123 H1 TIP3 1965 49.062 23.039 19.044 1.00 0.00 WT5 H ATOM 53124 H2 TIP3 1965 47.733 22.811 19.733 1.00 0.00 WT5 H ATOM 53125 OH2 TIP3 1978 77.639 37.514 -15.568 1.00 0.00 WT5 O ATOM 53126 H1 TIP3 1978 78.366 36.894 -15.621 1.00 0.00 WT5 H ATOM 53127 H2 TIP3 1978 77.941 38.280 -16.058 1.00 0.00 WT5 H ATOM 53128 OH2 TIP3 1990 87.776 42.734 36.416 1.00 0.00 WT5 O ATOM 53129 H1 TIP3 1990 88.690 42.974 36.263 1.00 0.00 WT5 H ATOM 53130 H2 TIP3 1990 87.575 43.092 37.281 1.00 0.00 WT5 H ATOM 53131 OH2 TIP3 1994 34.184 53.190 40.388 1.00 0.00 WT5 O ATOM 53132 H1 TIP3 1994 34.670 52.367 40.421 1.00 0.00 WT5 H ATOM 53133 H2 TIP3 1994 34.827 53.838 40.099 1.00 0.00 WT5 H ATOM 53134 OH2 TIP3 2000 43.897 93.684 44.854 1.00 0.00 WT5 O ATOM 53135 H1 TIP3 2000 43.987 93.834 43.913 1.00 0.00 WT5 H ATOM 53136 H2 TIP3 2000 44.676 93.181 45.093 1.00 0.00 WT5 H ATOM 53137 OH2 TIP3 2017 73.806 65.301 -12.625 1.00 0.00 WT5 O ATOM 53138 H1 TIP3 2017 72.950 65.678 -12.830 1.00 0.00 WT5 H ATOM 53139 H2 TIP3 2017 73.769 65.119 -11.686 1.00 0.00 WT5 H ATOM 53140 OH2 TIP3 2022 89.803 82.187 43.923 1.00 0.00 WT5 O ATOM 53141 H1 TIP3 2022 89.019 81.642 43.986 1.00 0.00 WT5 H ATOM 53142 H2 TIP3 2022 89.842 82.650 44.759 1.00 0.00 WT5 H ATOM 53143 OH2 TIP3 2025 59.136 96.174 22.204 1.00 0.00 WT5 O ATOM 53144 H1 TIP3 2025 59.130 95.390 21.656 1.00 0.00 WT5 H ATOM 53145 H2 TIP3 2025 58.214 96.422 22.277 1.00 0.00 WT5 H ATOM 53146 OH2 TIP3 2053 38.552 16.756 16.650 1.00 0.00 WT5 O ATOM 53147 H1 TIP3 2053 38.658 17.382 17.367 1.00 0.00 WT5 H ATOM 53148 H2 TIP3 2053 38.879 17.218 15.878 1.00 0.00 WT5 H ATOM 53149 OH2 TIP3 2056 65.693 91.599 43.911 1.00 0.00 WT5 O ATOM 53150 H1 TIP3 2056 65.600 91.427 42.974 1.00 0.00 WT5 H ATOM 53151 H2 TIP3 2056 65.273 92.450 44.042 1.00 0.00 WT5 H ATOM 53152 OH2 TIP3 2058 80.919 64.132 4.994 1.00 0.00 WT5 O ATOM 53153 H1 TIP3 2058 80.296 64.226 5.714 1.00 0.00 WT5 H ATOM 53154 H2 TIP3 2058 80.387 64.218 4.203 1.00 0.00 WT5 H ATOM 53155 OH2 TIP3 2080 20.944 19.500 37.346 1.00 0.00 WT5 O ATOM 53156 H1 TIP3 2080 21.851 19.684 37.101 1.00 0.00 WT5 H ATOM 53157 H2 TIP3 2080 20.468 20.298 37.120 1.00 0.00 WT5 H ATOM 53158 OH2 TIP3 2083 20.845 90.387 21.195 1.00 0.00 WT5 O ATOM 53159 H1 TIP3 2083 21.447 91.093 20.959 1.00 0.00 WT5 H ATOM 53160 H2 TIP3 2083 20.814 90.409 22.152 1.00 0.00 WT5 H ATOM 53161 OH2 TIP3 2085 46.379 20.518 50.053 1.00 0.00 WT5 O ATOM 53162 H1 TIP3 2085 46.552 21.426 49.806 1.00 0.00 WT5 H ATOM 53163 H2 TIP3 2085 46.551 20.016 49.256 1.00 0.00 WT5 H ATOM 53164 OH2 TIP3 2108 54.754 43.497 44.516 1.00 0.00 WT5 O ATOM 53165 H1 TIP3 2108 53.974 43.949 44.196 1.00 0.00 WT5 H ATOM 53166 H2 TIP3 2108 55.334 43.450 43.756 1.00 0.00 WT5 H ATOM 53167 OH2 TIP3 2127 58.525 94.783 -1.479 1.00 0.00 WT5 O ATOM 53168 H1 TIP3 2127 58.542 94.109 -0.799 1.00 0.00 WT5 H ATOM 53169 H2 TIP3 2127 58.769 95.589 -1.024 1.00 0.00 WT5 H ATOM 53170 OH2 TIP3 2132 60.682 34.234 43.262 1.00 0.00 WT5 O ATOM 53171 H1 TIP3 2132 60.539 34.902 43.932 1.00 0.00 WT5 H ATOM 53172 H2 TIP3 2132 60.975 34.725 42.494 1.00 0.00 WT5 H ATOM 53173 OH2 TIP3 2150 44.123 40.219 19.696 1.00 0.00 WT5 O ATOM 53174 H1 TIP3 2150 43.293 39.775 19.522 1.00 0.00 WT5 H ATOM 53175 H2 TIP3 2150 44.790 39.550 19.540 1.00 0.00 WT5 H ATOM 53176 OH2 TIP3 2156 46.811 64.183 50.869 1.00 0.00 WT5 O ATOM 53177 H1 TIP3 2156 46.902 64.824 50.164 1.00 0.00 WT5 H ATOM 53178 H2 TIP3 2156 46.667 63.350 50.419 1.00 0.00 WT5 H ATOM 53179 OH2 TIP3 2160 61.725 77.554 33.512 1.00 0.00 WT5 O ATOM 53180 H1 TIP3 2160 61.726 76.598 33.561 1.00 0.00 WT5 H ATOM 53181 H2 TIP3 2160 61.859 77.747 32.584 1.00 0.00 WT5 H ATOM 53182 OH2 TIP3 2171 52.583 86.167 8.777 1.00 0.00 WT5 O ATOM 53183 H1 TIP3 2171 52.204 85.697 9.519 1.00 0.00 WT5 H ATOM 53184 H2 TIP3 2171 52.262 85.698 8.007 1.00 0.00 WT5 H ATOM 53185 OH2 TIP3 2173 45.258 46.192 32.247 1.00 0.00 WT5 O ATOM 53186 H1 TIP3 2173 45.883 45.483 32.096 1.00 0.00 WT5 H ATOM 53187 H2 TIP3 2173 44.933 46.416 31.375 1.00 0.00 WT5 H ATOM 53188 OH2 TIP3 2179 70.010 51.253 42.373 1.00 0.00 WT5 O ATOM 53189 H1 TIP3 2179 69.201 51.195 42.882 1.00 0.00 WT5 H ATOM 53190 H2 TIP3 2179 70.207 52.189 42.342 1.00 0.00 WT5 H ATOM 53191 OH2 TIP3 2183 72.567 81.085 51.412 1.00 0.00 WT5 O ATOM 53192 H1 TIP3 2183 71.723 80.716 51.674 1.00 0.00 WT5 H ATOM 53193 H2 TIP3 2183 72.678 80.806 50.503 1.00 0.00 WT5 H ATOM 53194 OH2 TIP3 2190 60.793 53.984 0.035 1.00 0.00 WT5 O ATOM 53195 H1 TIP3 2190 60.498 54.842 -0.268 1.00 0.00 WT5 H ATOM 53196 H2 TIP3 2190 60.887 54.083 0.982 1.00 0.00 WT5 H ATOM 53197 OH2 TIP3 2231 31.010 73.322 -2.394 1.00 0.00 WT5 O ATOM 53198 H1 TIP3 2231 31.174 74.004 -1.743 1.00 0.00 WT5 H ATOM 53199 H2 TIP3 2231 30.811 72.540 -1.879 1.00 0.00 WT5 H ATOM 53200 OH2 TIP3 2236 28.142 22.975 25.105 1.00 0.00 WT5 O ATOM 53201 H1 TIP3 2236 28.135 22.226 24.509 1.00 0.00 WT5 H ATOM 53202 H2 TIP3 2236 28.197 22.587 25.978 1.00 0.00 WT5 H ATOM 53203 OH2 TIP3 2268 87.488 49.769 -17.737 1.00 0.00 WT5 O ATOM 53204 H1 TIP3 2268 87.490 50.675 -17.430 1.00 0.00 WT5 H ATOM 53205 H2 TIP3 2268 88.332 49.417 -17.454 1.00 0.00 WT5 H ATOM 53206 OH2 TIP3 2270 84.662 94.533 64.078 1.00 0.00 WT5 O ATOM 53207 H1 TIP3 2270 85.105 95.253 64.527 1.00 0.00 WT5 H ATOM 53208 H2 TIP3 2270 83.796 94.493 64.484 1.00 0.00 WT5 H ATOM 53209 OH2 TIP3 2282 32.042 75.455 47.437 1.00 0.00 WT5 O ATOM 53210 H1 TIP3 2282 31.892 74.525 47.269 1.00 0.00 WT5 H ATOM 53211 H2 TIP3 2282 31.672 75.899 46.673 1.00 0.00 WT5 H ATOM 53212 OH2 TIP3 2288 85.479 76.805 19.412 1.00 0.00 WT5 O ATOM 53213 H1 TIP3 2288 86.011 76.016 19.515 1.00 0.00 WT5 H ATOM 53214 H2 TIP3 2288 84.657 76.493 19.035 1.00 0.00 WT5 H ATOM 53215 OH2 TIP3 2290 65.156 23.715 20.542 1.00 0.00 WT5 O ATOM 53216 H1 TIP3 2290 64.237 23.870 20.763 1.00 0.00 WT5 H ATOM 53217 H2 TIP3 2290 65.508 23.246 21.299 1.00 0.00 WT5 H ATOM 53218 OH2 TIP3 2293 83.832 4.930 56.945 1.00 0.00 WT5 O ATOM 53219 H1 TIP3 2293 84.787 4.881 56.963 1.00 0.00 WT5 H ATOM 53220 H2 TIP3 2293 83.641 5.861 56.834 1.00 0.00 WT5 H ATOM 53221 OH2 TIP3 2317 34.554 51.629 -16.582 1.00 0.00 WT5 O ATOM 53222 H1 TIP3 2317 35.371 51.635 -16.084 1.00 0.00 WT5 H ATOM 53223 H2 TIP3 2317 33.869 51.537 -15.919 1.00 0.00 WT5 H ATOM 53224 OH2 TIP3 2323 33.604 29.931 -16.692 1.00 0.00 WT5 O ATOM 53225 H1 TIP3 2323 33.620 30.802 -17.089 1.00 0.00 WT5 H ATOM 53226 H2 TIP3 2323 33.994 29.358 -17.353 1.00 0.00 WT5 H ATOM 53227 OH2 TIP3 2324 31.162 47.337 62.350 1.00 0.00 WT5 O ATOM 53228 H1 TIP3 2324 31.422 46.612 62.919 1.00 0.00 WT5 H ATOM 53229 H2 TIP3 2324 31.986 47.766 62.118 1.00 0.00 WT5 H ATOM 53230 OH2 TIP3 2327 32.164 11.685 36.133 1.00 0.00 WT5 O ATOM 53231 H1 TIP3 2327 32.359 11.400 35.240 1.00 0.00 WT5 H ATOM 53232 H2 TIP3 2327 31.293 11.330 36.313 1.00 0.00 WT5 H ATOM 53233 OH2 TIP3 2357 73.922 90.446 -7.482 1.00 0.00 WT5 O ATOM 53234 H1 TIP3 2357 74.512 89.895 -7.996 1.00 0.00 WT5 H ATOM 53235 H2 TIP3 2357 73.048 90.108 -7.675 1.00 0.00 WT5 H ATOM 53236 OH2 TIP3 2358 67.177 12.704 -2.225 1.00 0.00 WT5 O ATOM 53237 H1 TIP3 2358 67.123 12.111 -2.975 1.00 0.00 WT5 H ATOM 53238 H2 TIP3 2358 66.387 13.242 -2.287 1.00 0.00 WT5 H ATOM 53239 OH2 TIP3 2372 30.104 95.162 37.372 1.00 0.00 WT5 O ATOM 53240 H1 TIP3 2372 30.600 95.289 38.180 1.00 0.00 WT5 H ATOM 53241 H2 TIP3 2372 30.630 94.547 36.861 1.00 0.00 WT5 H ATOM 53242 OH2 TIP3 2408 59.749 46.891 33.980 1.00 0.00 WT5 O ATOM 53243 H1 TIP3 2408 59.772 47.093 33.045 1.00 0.00 WT5 H ATOM 53244 H2 TIP3 2408 59.968 47.719 34.409 1.00 0.00 WT5 H ATOM 53245 OH2 TIP3 2410 32.958 25.123 7.811 1.00 0.00 WT5 O ATOM 53246 H1 TIP3 2410 32.016 25.100 7.647 1.00 0.00 WT5 H ATOM 53247 H2 TIP3 2410 33.341 25.383 6.973 1.00 0.00 WT5 H ATOM 53248 OH2 TIP3 2411 74.594 10.452 -0.344 1.00 0.00 WT5 O ATOM 53249 H1 TIP3 2411 74.044 10.025 0.312 1.00 0.00 WT5 H ATOM 53250 H2 TIP3 2411 75.284 10.881 0.163 1.00 0.00 WT5 H ATOM 53251 OH2 TIP3 2462 58.014 31.525 61.919 1.00 0.00 WT5 O ATOM 53252 H1 TIP3 2462 57.964 32.095 62.686 1.00 0.00 WT5 H ATOM 53253 H2 TIP3 2462 58.051 30.640 62.280 1.00 0.00 WT5 H ATOM 53254 OH2 TIP3 2468 39.371 47.653 -0.054 1.00 0.00 WT5 O ATOM 53255 H1 TIP3 2468 39.843 47.428 0.747 1.00 0.00 WT5 H ATOM 53256 H2 TIP3 2468 38.483 47.856 0.240 1.00 0.00 WT5 H ATOM 53257 OH2 TIP3 2471 67.328 13.521 11.013 1.00 0.00 WT5 O ATOM 53258 H1 TIP3 2471 66.904 14.170 11.575 1.00 0.00 WT5 H ATOM 53259 H2 TIP3 2471 68.087 13.977 10.651 1.00 0.00 WT5 H ATOM 53260 OH2 TIP3 2474 64.142 91.017 29.416 1.00 0.00 WT5 O ATOM 53261 H1 TIP3 2474 63.977 91.139 28.481 1.00 0.00 WT5 H ATOM 53262 H2 TIP3 2474 63.516 90.344 29.683 1.00 0.00 WT5 H ATOM 53263 OH2 TIP3 2500 63.574 54.220 66.637 1.00 0.00 WT5 O ATOM 53264 H1 TIP3 2500 63.237 54.204 65.741 1.00 0.00 WT5 H ATOM 53265 H2 TIP3 2500 63.172 54.995 67.030 1.00 0.00 WT5 H ATOM 53266 OH2 TIP3 2521 89.506 92.854 -7.239 1.00 0.00 WT5 O ATOM 53267 H1 TIP3 2521 89.782 93.769 -7.189 1.00 0.00 WT5 H ATOM 53268 H2 TIP3 2521 89.814 92.557 -8.095 1.00 0.00 WT5 H ATOM 53269 OH2 TIP3 2524 74.653 70.049 2.254 1.00 0.00 WT5 O ATOM 53270 H1 TIP3 2524 73.814 69.625 2.432 1.00 0.00 WT5 H ATOM 53271 H2 TIP3 2524 74.494 70.977 2.427 1.00 0.00 WT5 H ATOM 53272 OH2 TIP3 2525 36.984 64.707 -18.359 1.00 0.00 WT5 O ATOM 53273 H1 TIP3 2525 36.423 64.543 -19.118 1.00 0.00 WT5 H ATOM 53274 H2 TIP3 2525 37.520 65.457 -18.615 1.00 0.00 WT5 H ATOM 53275 OH2 TIP3 2542 45.656 51.685 55.271 1.00 0.00 WT5 O ATOM 53276 H1 TIP3 2542 45.031 51.243 55.847 1.00 0.00 WT5 H ATOM 53277 H2 TIP3 2542 46.487 51.644 55.743 1.00 0.00 WT5 H ATOM 53278 OH2 TIP3 2559 71.321 54.494 14.420 1.00 0.00 WT5 O ATOM 53279 H1 TIP3 2559 70.671 54.031 14.948 1.00 0.00 WT5 H ATOM 53280 H2 TIP3 2559 71.051 55.412 14.457 1.00 0.00 WT5 H ATOM 53281 OH2 TIP3 2560 75.302 65.616 37.200 1.00 0.00 WT5 O ATOM 53282 H1 TIP3 2560 74.384 65.622 37.471 1.00 0.00 WT5 H ATOM 53283 H2 TIP3 2560 75.289 65.947 36.302 1.00 0.00 WT5 H ATOM 53284 OH2 TIP3 2568 39.307 34.498 34.095 1.00 0.00 WT5 O ATOM 53285 H1 TIP3 2568 39.425 35.366 33.709 1.00 0.00 WT5 H ATOM 53286 H2 TIP3 2568 38.360 34.413 34.210 1.00 0.00 WT5 H ATOM 53287 OH2 TIP3 2570 54.252 90.452 14.901 1.00 0.00 WT5 O ATOM 53288 H1 TIP3 2570 55.164 90.726 14.992 1.00 0.00 WT5 H ATOM 53289 H2 TIP3 2570 54.187 90.128 14.002 1.00 0.00 WT5 H ATOM 53290 OH2 TIP3 2603 40.486 81.857 -19.024 1.00 0.00 WT5 O ATOM 53291 H1 TIP3 2603 41.178 81.212 -18.881 1.00 0.00 WT5 H ATOM 53292 H2 TIP3 2603 39.946 81.808 -18.235 1.00 0.00 WT5 H ATOM 53293 OH2 TIP3 2629 49.312 9.361 16.752 1.00 0.00 WT5 O ATOM 53294 H1 TIP3 2629 48.866 9.681 17.536 1.00 0.00 WT5 H ATOM 53295 H2 TIP3 2629 49.552 10.154 16.273 1.00 0.00 WT5 H ATOM 53296 OH2 TIP3 2644 22.208 31.950 0.555 1.00 0.00 WT5 O ATOM 53297 H1 TIP3 2644 22.407 31.979 1.491 1.00 0.00 WT5 H ATOM 53298 H2 TIP3 2644 21.317 32.295 0.489 1.00 0.00 WT5 H ATOM 53299 OH2 TIP3 2705 49.008 86.970 34.570 1.00 0.00 WT5 O ATOM 53300 H1 TIP3 2705 48.922 86.567 35.434 1.00 0.00 WT5 H ATOM 53301 H2 TIP3 2705 49.141 86.233 33.974 1.00 0.00 WT5 H ATOM 53302 OH2 TIP3 2714 21.928 0.520 8.652 1.00 0.00 WT5 O ATOM 53303 H1 TIP3 2714 22.017 1.012 9.468 1.00 0.00 WT5 H ATOM 53304 H2 TIP3 2714 21.107 0.831 8.273 1.00 0.00 WT5 H ATOM 53305 OH2 TIP3 2759 86.309 25.469 30.421 1.00 0.00 WT5 O ATOM 53306 H1 TIP3 2759 86.418 26.357 30.080 1.00 0.00 WT5 H ATOM 53307 H2 TIP3 2759 86.565 24.900 29.695 1.00 0.00 WT5 H ATOM 53308 OH2 TIP3 2780 61.787 22.409 -17.142 1.00 0.00 WT5 O ATOM 53309 H1 TIP3 2780 62.704 22.521 -17.392 1.00 0.00 WT5 H ATOM 53310 H2 TIP3 2780 61.460 23.300 -17.020 1.00 0.00 WT5 H ATOM 53311 OH2 TIP3 2781 51.477 21.277 65.354 1.00 0.00 WT5 O ATOM 53312 H1 TIP3 2781 52.221 21.367 64.759 1.00 0.00 WT5 H ATOM 53313 H2 TIP3 2781 51.368 22.149 65.735 1.00 0.00 WT5 H ATOM 53314 OH2 TIP3 2802 71.293 58.101 44.880 1.00 0.00 WT5 O ATOM 53315 H1 TIP3 2802 70.351 58.023 44.727 1.00 0.00 WT5 H ATOM 53316 H2 TIP3 2802 71.696 57.681 44.120 1.00 0.00 WT5 H ATOM 53317 OH2 TIP3 2855 59.770 22.371 29.951 1.00 0.00 WT5 O ATOM 53318 H1 TIP3 2855 60.139 22.754 30.747 1.00 0.00 WT5 H ATOM 53319 H2 TIP3 2855 59.881 23.050 29.285 1.00 0.00 WT5 H ATOM 53320 OH2 TIP3 2872 32.941 69.803 29.125 1.00 0.00 WT5 O ATOM 53321 H1 TIP3 2872 33.195 70.718 29.249 1.00 0.00 WT5 H ATOM 53322 H2 TIP3 2872 33.269 69.580 28.254 1.00 0.00 WT5 H ATOM 53323 OH2 TIP3 2894 65.559 48.102 -11.544 1.00 0.00 WT5 O ATOM 53324 H1 TIP3 2894 65.824 47.429 -12.171 1.00 0.00 WT5 H ATOM 53325 H2 TIP3 2894 64.928 47.664 -10.973 1.00 0.00 WT5 H ATOM 53326 OH2 TIP3 2895 84.985 72.671 -3.994 1.00 0.00 WT5 O ATOM 53327 H1 TIP3 2895 85.867 72.467 -4.305 1.00 0.00 WT5 H ATOM 53328 H2 TIP3 2895 85.013 72.491 -3.054 1.00 0.00 WT5 H ATOM 53329 OH2 TIP3 2906 76.834 66.636 22.159 1.00 0.00 WT5 O ATOM 53330 H1 TIP3 2906 76.360 65.808 22.091 1.00 0.00 WT5 H ATOM 53331 H2 TIP3 2906 76.254 67.279 21.751 1.00 0.00 WT5 H ATOM 53332 OH2 TIP3 2980 80.882 73.434 34.770 1.00 0.00 WT5 O ATOM 53333 H1 TIP3 2980 80.066 72.952 34.642 1.00 0.00 WT5 H ATOM 53334 H2 TIP3 2980 80.723 74.287 34.367 1.00 0.00 WT5 H ATOM 53335 OH2 TIP3 3029 53.146 26.452 18.054 1.00 0.00 WT5 O ATOM 53336 H1 TIP3 3029 52.282 26.814 17.858 1.00 0.00 WT5 H ATOM 53337 H2 TIP3 3029 53.401 26.871 18.876 1.00 0.00 WT5 H ATOM 53338 OH2 TIP3 3063 31.313 27.843 24.439 1.00 0.00 WT5 O ATOM 53339 H1 TIP3 3063 31.265 28.784 24.608 1.00 0.00 WT5 H ATOM 53340 H2 TIP3 3063 30.453 27.619 24.084 1.00 0.00 WT5 H ATOM 53341 OH2 TIP3 3287 22.592 15.559 -0.886 1.00 0.00 WT5 O ATOM 53342 H1 TIP3 3287 21.704 15.886 -0.743 1.00 0.00 WT5 H ATOM 53343 H2 TIP3 3287 23.143 16.341 -0.857 1.00 0.00 WT5 H ATOM 53344 OH2 TIP3 3294 24.576 80.415 -0.886 1.00 0.00 WT5 O ATOM 53345 H1 TIP3 3294 24.160 79.559 -0.986 1.00 0.00 WT5 H ATOM 53346 H2 TIP3 3294 24.916 80.620 -1.757 1.00 0.00 WT5 H ATOM 53347 OH2 TIP3 3521 82.619 82.587 -12.579 1.00 0.00 WT5 O ATOM 53348 H1 TIP3 3521 82.648 81.666 -12.839 1.00 0.00 WT5 H ATOM 53349 H2 TIP3 3521 83.470 82.749 -12.172 1.00 0.00 WT5 H ATOM 53350 OH2 TIP3 3665 82.241 11.282 38.500 1.00 0.00 WT5 O ATOM 53351 H1 TIP3 3665 82.409 12.144 38.882 1.00 0.00 WT5 H ATOM 53352 H2 TIP3 3665 81.288 11.202 38.497 1.00 0.00 WT5 H ATOM 53353 OH2 TIP3 3877 42.278 52.451 52.174 1.00 0.00 WT5 O ATOM 53354 H1 TIP3 3877 42.029 53.364 52.027 1.00 0.00 WT5 H ATOM 53355 H2 TIP3 3877 41.954 51.987 51.402 1.00 0.00 WT5 H ATOM 53356 OH2 TIP3 5421 87.677 30.071 28.279 1.00 0.00 WT5 O ATOM 53357 H1 TIP3 5421 86.904 30.391 27.814 1.00 0.00 WT5 H ATOM 53358 H2 TIP3 5421 88.406 30.565 27.904 1.00 0.00 WT5 H ATOM 53359 OH2 TIP3 6240 36.559 69.281 55.709 1.00 0.00 WT5 O ATOM 53360 H1 TIP3 6240 35.672 69.554 55.472 1.00 0.00 WT5 H ATOM 53361 H2 TIP3 6240 36.460 68.378 56.010 1.00 0.00 WT5 H ATOM 53362 OH2 TIP3 6350 75.581 78.956 11.279 1.00 0.00 WT5 O ATOM 53363 H1 TIP3 6350 75.647 79.814 10.859 1.00 0.00 WT5 H ATOM 53364 H2 TIP3 6350 74.866 78.518 10.819 1.00 0.00 WT5 H ATOM 53365 OH2 TIP3 6479 76.979 45.997 10.536 1.00 0.00 WT5 O ATOM 53366 H1 TIP3 6479 76.522 46.167 9.712 1.00 0.00 WT5 H ATOM 53367 H2 TIP3 6479 76.670 46.684 11.127 1.00 0.00 WT5 H ATOM 53368 OH2 TIP3 6628 38.588 22.055 28.530 1.00 0.00 WT5 O ATOM 53369 H1 TIP3 6628 39.022 22.901 28.641 1.00 0.00 WT5 H ATOM 53370 H2 TIP3 6628 38.312 22.045 27.614 1.00 0.00 WT5 H ATOM 53371 OH2 TIP3 6650 82.700 1.033 -2.467 1.00 0.00 WT5 O ATOM 53372 H1 TIP3 6650 83.618 1.299 -2.498 1.00 0.00 WT5 H ATOM 53373 H2 TIP3 6650 82.382 1.161 -3.360 1.00 0.00 WT5 H ATOM 53374 OH2 TIP3 6671 28.244 77.058 4.135 1.00 0.00 WT5 O ATOM 53375 H1 TIP3 6671 27.925 76.387 4.738 1.00 0.00 WT5 H ATOM 53376 H2 TIP3 6671 28.123 76.676 3.265 1.00 0.00 WT5 H ATOM 53377 OH2 TIP3 6751 86.505 72.145 -6.481 1.00 0.00 WT5 O ATOM 53378 H1 TIP3 6751 85.711 71.720 -6.806 1.00 0.00 WT5 H ATOM 53379 H2 TIP3 6751 86.283 73.076 -6.448 1.00 0.00 WT5 H ATOM 53380 OH2 TIP3 6773 67.845 40.352 -7.759 1.00 0.00 WT5 O ATOM 53381 H1 TIP3 6773 68.469 39.872 -8.303 1.00 0.00 WT5 H ATOM 53382 H2 TIP3 6773 67.025 40.325 -8.252 1.00 0.00 WT5 H ATOM 53383 OH2 TIP3 6964 57.084 64.917 66.525 1.00 0.00 WT5 O ATOM 53384 H1 TIP3 6964 56.263 64.900 67.017 1.00 0.00 WT5 H ATOM 53385 H2 TIP3 6964 56.871 64.498 65.690 1.00 0.00 WT5 H ATOM 53386 OH2 TIP3 6980 80.005 76.965 7.156 1.00 0.00 WT5 O ATOM 53387 H1 TIP3 6980 80.305 76.458 7.910 1.00 0.00 WT5 H ATOM 53388 H2 TIP3 6980 80.429 76.551 6.404 1.00 0.00 WT5 H ATOM 53389 OH2 TIP3 7027 70.688 54.247 57.646 1.00 0.00 WT5 O ATOM 53390 H1 TIP3 7027 69.979 53.683 57.337 1.00 0.00 WT5 H ATOM 53391 H2 TIP3 7027 70.414 55.132 57.404 1.00 0.00 WT5 H ATOM 53392 OH2 TIP3 7133 58.076 25.789 44.918 1.00 0.00 WT5 O ATOM 53393 H1 TIP3 7133 57.622 25.751 45.759 1.00 0.00 WT5 H ATOM 53394 H2 TIP3 7133 58.211 26.724 44.761 1.00 0.00 WT5 H ATOM 53395 OH2 TIP3 7165 74.499 19.250 41.075 1.00 0.00 WT5 O ATOM 53396 H1 TIP3 7165 73.835 19.193 41.761 1.00 0.00 WT5 H ATOM 53397 H2 TIP3 7165 74.165 18.694 40.370 1.00 0.00 WT5 H ATOM 53398 OH2 TIP3 7290 55.734 90.162 5.600 1.00 0.00 WT5 O ATOM 53399 H1 TIP3 7290 56.558 90.552 5.305 1.00 0.00 WT5 H ATOM 53400 H2 TIP3 7290 55.156 90.909 5.751 1.00 0.00 WT5 H ATOM 53401 OH2 TIP3 7295 86.057 93.560 -5.404 1.00 0.00 WT5 O ATOM 53402 H1 TIP3 7295 86.661 93.120 -4.807 1.00 0.00 WT5 H ATOM 53403 H2 TIP3 7295 85.570 92.849 -5.820 1.00 0.00 WT5 H ATOM 53404 OH2 TIP3 7308 81.379 2.082 43.922 1.00 0.00 WT5 O ATOM 53405 H1 TIP3 7308 81.157 2.868 43.423 1.00 0.00 WT5 H ATOM 53406 H2 TIP3 7308 81.860 1.533 43.302 1.00 0.00 WT5 H ATOM 53407 OH2 TIP3 7427 88.426 96.265 54.005 1.00 0.00 WT5 O ATOM 53408 H1 TIP3 7427 89.111 95.947 54.593 1.00 0.00 WT5 H ATOM 53409 H2 TIP3 7427 87.627 96.240 54.532 1.00 0.00 WT5 H ATOM 53410 OH2 TIP3 7532 32.580 28.212 60.767 1.00 0.00 WT5 O ATOM 53411 H1 TIP3 7532 32.713 27.278 60.930 1.00 0.00 WT5 H ATOM 53412 H2 TIP3 7532 32.484 28.279 59.817 1.00 0.00 WT5 H ATOM 53413 OH2 TIP3 7533 22.455 38.756 31.159 1.00 0.00 WT5 O ATOM 53414 H1 TIP3 7533 23.087 39.375 30.793 1.00 0.00 WT5 H ATOM 53415 H2 TIP3 7533 22.941 38.291 31.840 1.00 0.00 WT5 H ATOM 53416 OH2 TIP3 7537 39.695 11.191 37.653 1.00 0.00 WT5 O ATOM 53417 H1 TIP3 7537 39.778 12.130 37.491 1.00 0.00 WT5 H ATOM 53418 H2 TIP3 7537 38.781 11.071 37.910 1.00 0.00 WT5 H ATOM 53419 OH2 TIP3 7563 30.671 87.389 48.534 1.00 0.00 WT5 O ATOM 53420 H1 TIP3 7563 31.193 88.098 48.157 1.00 0.00 WT5 H ATOM 53421 H2 TIP3 7563 29.859 87.812 48.814 1.00 0.00 WT5 H ATOM 53422 OH2 TIP3 7568 25.087 6.602 42.968 1.00 0.00 WT5 O ATOM 53423 H1 TIP3 7568 25.069 7.327 42.344 1.00 0.00 WT5 H ATOM 53424 H2 TIP3 7568 25.531 6.958 43.737 1.00 0.00 WT5 H ATOM 53425 OH2 TIP3 7576 82.359 87.313 36.209 1.00 0.00 WT5 O ATOM 53426 H1 TIP3 7576 82.416 86.423 35.860 1.00 0.00 WT5 H ATOM 53427 H2 TIP3 7576 82.976 87.818 35.679 1.00 0.00 WT5 H ATOM 53428 OH2 TIP3 7583 58.524 90.229 2.063 1.00 0.00 WT5 O ATOM 53429 H1 TIP3 7583 59.296 90.204 1.497 1.00 0.00 WT5 H ATOM 53430 H2 TIP3 7583 58.350 89.311 2.272 1.00 0.00 WT5 H ATOM 53431 OH2 TIP3 7592 26.482 40.521 14.759 1.00 0.00 WT5 O ATOM 53432 H1 TIP3 7592 26.256 39.624 14.510 1.00 0.00 WT5 H ATOM 53433 H2 TIP3 7592 26.004 40.671 15.574 1.00 0.00 WT5 H ATOM 53434 OH2 TIP3 7603 65.092 66.178 45.606 1.00 0.00 WT5 O ATOM 53435 H1 TIP3 7603 65.230 65.933 44.692 1.00 0.00 WT5 H ATOM 53436 H2 TIP3 7603 64.557 66.971 45.564 1.00 0.00 WT5 H ATOM 53437 OH2 TIP3 7607 50.116 35.551 48.056 1.00 0.00 WT5 O ATOM 53438 H1 TIP3 7607 50.711 35.862 47.374 1.00 0.00 WT5 H ATOM 53439 H2 TIP3 7607 50.527 35.825 48.876 1.00 0.00 WT5 H ATOM 53440 OH2 TIP3 7630 36.977 7.690 2.752 1.00 0.00 WT5 O ATOM 53441 H1 TIP3 7630 36.936 6.952 3.359 1.00 0.00 WT5 H ATOM 53442 H2 TIP3 7630 37.911 7.881 2.668 1.00 0.00 WT5 H ATOM 53443 OH2 TIP3 7631 89.801 34.624 2.928 1.00 0.00 WT5 O ATOM 53444 H1 TIP3 7631 89.548 34.822 3.830 1.00 0.00 WT5 H ATOM 53445 H2 TIP3 7631 89.494 33.729 2.785 1.00 0.00 WT5 H ATOM 53446 OH2 TIP3 7634 20.667 46.766 24.356 1.00 0.00 WT5 O ATOM 53447 H1 TIP3 7634 21.475 46.966 24.830 1.00 0.00 WT5 H ATOM 53448 H2 TIP3 7634 20.717 47.298 23.562 1.00 0.00 WT5 H ATOM 53449 OH2 TIP3 7642 81.534 34.488 51.827 1.00 0.00 WT5 O ATOM 53450 H1 TIP3 7642 82.024 35.308 51.770 1.00 0.00 WT5 H ATOM 53451 H2 TIP3 7642 80.694 34.736 52.213 1.00 0.00 WT5 H ATOM 53452 OH2 TIP3 7647 54.738 12.907 4.305 1.00 0.00 WT5 O ATOM 53453 H1 TIP3 7647 54.104 13.207 4.956 1.00 0.00 WT5 H ATOM 53454 H2 TIP3 7647 55.228 12.214 4.749 1.00 0.00 WT5 H ATOM 53455 OH2 TIP3 7650 38.253 36.964 21.694 1.00 0.00 WT5 O ATOM 53456 H1 TIP3 7650 38.589 37.306 22.522 1.00 0.00 WT5 H ATOM 53457 H2 TIP3 7650 38.980 37.064 21.080 1.00 0.00 WT5 H ATOM 53458 OH2 TIP3 7661 75.396 25.695 39.318 1.00 0.00 WT5 O ATOM 53459 H1 TIP3 7661 75.277 26.642 39.394 1.00 0.00 WT5 H ATOM 53460 H2 TIP3 7661 74.605 25.389 38.875 1.00 0.00 WT5 H ATOM 53461 OH2 TIP3 7707 67.752 15.576 -16.750 1.00 0.00 WT5 O ATOM 53462 H1 TIP3 7707 67.825 15.627 -15.797 1.00 0.00 WT5 H ATOM 53463 H2 TIP3 7707 66.867 15.247 -16.906 1.00 0.00 WT5 H ATOM 53464 OH2 TIP3 7715 25.924 48.178 57.347 1.00 0.00 WT5 O ATOM 53465 H1 TIP3 7715 25.735 48.428 56.442 1.00 0.00 WT5 H ATOM 53466 H2 TIP3 7715 25.100 48.322 57.812 1.00 0.00 WT5 H ATOM 53467 OH2 TIP3 7739 67.457 35.592 55.687 1.00 0.00 WT5 O ATOM 53468 H1 TIP3 7739 66.517 35.569 55.864 1.00 0.00 WT5 H ATOM 53469 H2 TIP3 7739 67.866 35.498 56.547 1.00 0.00 WT5 H ATOM 53470 OH2 TIP3 7748 22.735 0.726 37.515 1.00 0.00 WT5 O ATOM 53471 H1 TIP3 7748 22.715 1.654 37.282 1.00 0.00 WT5 H ATOM 53472 H2 TIP3 7748 22.453 0.702 38.430 1.00 0.00 WT5 H ATOM 53473 OH2 TIP3 7784 32.552 29.269 36.926 1.00 0.00 WT5 O ATOM 53474 H1 TIP3 7784 33.168 28.884 37.549 1.00 0.00 WT5 H ATOM 53475 H2 TIP3 7784 31.688 29.045 37.272 1.00 0.00 WT5 H ATOM 53476 OH2 TIP3 7833 36.002 63.046 37.951 1.00 0.00 WT5 O ATOM 53477 H1 TIP3 7833 36.392 63.902 38.133 1.00 0.00 WT5 H ATOM 53478 H2 TIP3 7833 36.184 62.892 37.024 1.00 0.00 WT5 H ATOM 53479 OH2 TIP3 7846 38.103 54.385 10.916 1.00 0.00 WT5 O ATOM 53480 H1 TIP3 7846 38.581 55.047 11.416 1.00 0.00 WT5 H ATOM 53481 H2 TIP3 7846 37.853 53.728 11.565 1.00 0.00 WT5 H ATOM 53482 OH2 TIP3 7925 78.852 54.599 -1.748 1.00 0.00 WT5 O ATOM 53483 H1 TIP3 7925 79.300 55.418 -1.960 1.00 0.00 WT5 H ATOM 53484 H2 TIP3 7925 77.997 54.676 -2.171 1.00 0.00 WT5 H ATOM 53485 OH2 TIP3 7944 83.495 27.996 11.974 1.00 0.00 WT5 O ATOM 53486 H1 TIP3 7944 82.646 28.290 12.306 1.00 0.00 WT5 H ATOM 53487 H2 TIP3 7944 83.894 28.783 11.605 1.00 0.00 WT5 H ATOM 53488 OH2 TIP3 7951 45.485 72.235 13.191 1.00 0.00 WT5 O ATOM 53489 H1 TIP3 7951 46.188 72.584 12.644 1.00 0.00 WT5 H ATOM 53490 H2 TIP3 7951 45.263 71.395 12.790 1.00 0.00 WT5 H ATOM 53491 OH2 TIP3 7959 43.116 81.660 59.197 1.00 0.00 WT5 O ATOM 53492 H1 TIP3 7959 42.245 81.591 59.587 1.00 0.00 WT5 H ATOM 53493 H2 TIP3 7959 43.690 81.197 59.807 1.00 0.00 WT5 H ATOM 53494 OH2 TIP3 7978 90.324 78.291 38.311 1.00 0.00 WT5 O ATOM 53495 H1 TIP3 7978 91.163 78.707 38.110 1.00 0.00 WT5 H ATOM 53496 H2 TIP3 7978 89.693 79.011 38.306 1.00 0.00 WT5 H ATOM 53497 OH2 TIP3 7979 71.039 45.053 18.653 1.00 0.00 WT5 O ATOM 53498 H1 TIP3 7979 70.154 44.725 18.815 1.00 0.00 WT5 H ATOM 53499 H2 TIP3 7979 70.911 45.959 18.370 1.00 0.00 WT5 H ATOM 53500 OH2 TIP3 7985 42.654 70.026 -2.256 1.00 0.00 WT5 O ATOM 53501 H1 TIP3 7985 42.937 69.452 -2.968 1.00 0.00 WT5 H ATOM 53502 H2 TIP3 7985 42.932 69.574 -1.459 1.00 0.00 WT5 H ATOM 53503 OH2 TIP3 7997 32.940 26.249 54.874 1.00 0.00 WT5 O ATOM 53504 H1 TIP3 7997 32.368 26.534 54.161 1.00 0.00 WT5 H ATOM 53505 H2 TIP3 7997 33.394 27.045 55.151 1.00 0.00 WT5 H ATOM 53506 OH2 TIP3 7998 36.476 95.502 53.468 1.00 0.00 WT5 O ATOM 53507 H1 TIP3 7998 37.429 95.421 53.509 1.00 0.00 WT5 H ATOM 53508 H2 TIP3 7998 36.322 96.421 53.251 1.00 0.00 WT5 H ATOM 53509 OH2 TIP3 8000 89.869 33.633 31.243 1.00 0.00 WT5 O ATOM 53510 H1 TIP3 8000 89.733 34.578 31.298 1.00 0.00 WT5 H ATOM 53511 H2 TIP3 8000 90.704 33.537 30.785 1.00 0.00 WT5 H ATOM 53512 OH2 TIP3 8014 67.630 11.197 38.111 1.00 0.00 WT5 O ATOM 53513 H1 TIP3 8014 66.982 10.865 37.490 1.00 0.00 WT5 H ATOM 53514 H2 TIP3 8014 67.226 11.073 38.970 1.00 0.00 WT5 H ATOM 53515 OH2 TIP3 8023 31.824 79.095 57.870 1.00 0.00 WT5 O ATOM 53516 H1 TIP3 8023 31.873 78.147 57.742 1.00 0.00 WT5 H ATOM 53517 H2 TIP3 8023 32.732 79.364 58.011 1.00 0.00 WT5 H ATOM 53518 OH2 TIP3 8024 32.670 70.964 57.320 1.00 0.00 WT5 O ATOM 53519 H1 TIP3 8024 33.523 71.073 57.742 1.00 0.00 WT5 H ATOM 53520 H2 TIP3 8024 32.234 70.284 57.833 1.00 0.00 WT5 H ATOM 53521 OH2 TIP3 8031 79.103 35.852 14.563 1.00 0.00 WT5 O ATOM 53522 H1 TIP3 8031 78.310 35.994 14.047 1.00 0.00 WT5 H ATOM 53523 H2 TIP3 8031 79.030 34.949 14.871 1.00 0.00 WT5 H ATOM 53524 OH2 TIP3 8034 29.987 68.715 9.217 1.00 0.00 WT5 O ATOM 53525 H1 TIP3 8034 30.513 69.505 9.344 1.00 0.00 WT5 H ATOM 53526 H2 TIP3 8034 30.319 68.098 9.869 1.00 0.00 WT5 H ATOM 53527 OH2 TIP3 8046 88.360 61.289 -8.034 1.00 0.00 WT5 O ATOM 53528 H1 TIP3 8046 88.629 60.564 -7.469 1.00 0.00 WT5 H ATOM 53529 H2 TIP3 8046 88.613 61.014 -8.915 1.00 0.00 WT5 H ATOM 53530 OH2 TIP3 8064 58.516 6.755 8.321 1.00 0.00 WT5 O ATOM 53531 H1 TIP3 8064 58.248 6.999 9.207 1.00 0.00 WT5 H ATOM 53532 H2 TIP3 8064 58.470 5.799 8.311 1.00 0.00 WT5 H ATOM 53533 OH2 TIP3 8067 75.474 51.753 25.987 1.00 0.00 WT5 O ATOM 53534 H1 TIP3 8067 75.317 52.256 26.786 1.00 0.00 WT5 H ATOM 53535 H2 TIP3 8067 74.729 51.961 25.422 1.00 0.00 WT5 H ATOM 53536 OH2 TIP3 8068 77.484 26.506 47.128 1.00 0.00 WT5 O ATOM 53537 H1 TIP3 8068 77.460 27.110 46.386 1.00 0.00 WT5 H ATOM 53538 H2 TIP3 8068 76.709 26.729 47.644 1.00 0.00 WT5 H ATOM 53539 OH2 TIP3 8079 34.926 28.953 46.139 1.00 0.00 WT5 O ATOM 53540 H1 TIP3 8079 35.545 28.749 46.839 1.00 0.00 WT5 H ATOM 53541 H2 TIP3 8079 34.582 28.102 45.867 1.00 0.00 WT5 H ATOM 53542 OH2 TIP3 8123 42.451 7.103 63.102 1.00 0.00 WT5 O ATOM 53543 H1 TIP3 8123 42.455 6.778 62.202 1.00 0.00 WT5 H ATOM 53544 H2 TIP3 8123 43.375 7.244 63.311 1.00 0.00 WT5 H ATOM 53545 OH2 TIP3 8133 39.197 57.904 2.704 1.00 0.00 WT5 O ATOM 53546 H1 TIP3 8133 39.739 57.203 3.066 1.00 0.00 WT5 H ATOM 53547 H2 TIP3 8133 39.788 58.654 2.636 1.00 0.00 WT5 H ATOM 53548 OH2 TIP3 8136 83.340 50.057 40.363 1.00 0.00 WT5 O ATOM 53549 H1 TIP3 8136 83.756 49.328 39.903 1.00 0.00 WT5 H ATOM 53550 H2 TIP3 8136 82.645 50.347 39.773 1.00 0.00 WT5 H ATOM 53551 OH2 TIP3 8140 45.722 53.262 34.869 1.00 0.00 WT5 O ATOM 53552 H1 TIP3 8140 44.939 52.846 34.508 1.00 0.00 WT5 H ATOM 53553 H2 TIP3 8140 45.745 52.978 35.783 1.00 0.00 WT5 H ATOM 53554 OH2 TIP3 8141 37.690 71.173 57.880 1.00 0.00 WT5 O ATOM 53555 H1 TIP3 8141 36.789 70.955 58.118 1.00 0.00 WT5 H ATOM 53556 H2 TIP3 8141 37.937 71.868 58.489 1.00 0.00 WT5 H ATOM 53557 OH2 TIP3 8161 80.417 37.635 21.883 1.00 0.00 WT5 O ATOM 53558 H1 TIP3 8161 79.742 37.960 21.287 1.00 0.00 WT5 H ATOM 53559 H2 TIP3 8161 80.308 36.684 21.874 1.00 0.00 WT5 H ATOM 53560 OH2 TIP3 8173 21.863 64.118 -10.343 1.00 0.00 WT5 O ATOM 53561 H1 TIP3 8173 22.696 64.353 -9.934 1.00 0.00 WT5 H ATOM 53562 H2 TIP3 8173 21.798 64.696 -11.103 1.00 0.00 WT5 H ATOM 53563 OH2 TIP3 8174 65.516 44.786 55.886 1.00 0.00 WT5 O ATOM 53564 H1 TIP3 8174 66.124 45.098 56.556 1.00 0.00 WT5 H ATOM 53565 H2 TIP3 8174 64.702 45.257 56.063 1.00 0.00 WT5 H ATOM 53566 OH2 TIP3 8176 41.604 8.843 56.962 1.00 0.00 WT5 O ATOM 53567 H1 TIP3 8176 40.698 8.606 56.762 1.00 0.00 WT5 H ATOM 53568 H2 TIP3 8176 41.608 9.001 57.906 1.00 0.00 WT5 H ATOM 53569 OH2 TIP3 8183 55.631 35.827 -18.099 1.00 0.00 WT5 O ATOM 53570 H1 TIP3 8183 55.922 36.738 -18.061 1.00 0.00 WT5 H ATOM 53571 H2 TIP3 8183 55.719 35.509 -17.200 1.00 0.00 WT5 H ATOM 53572 OH2 TIP3 8191 82.717 35.527 48.735 1.00 0.00 WT5 O ATOM 53573 H1 TIP3 8191 82.747 34.602 48.980 1.00 0.00 WT5 H ATOM 53574 H2 TIP3 8191 82.674 35.994 49.569 1.00 0.00 WT5 H ATOM 53575 OH2 TIP3 8193 57.436 23.816 47.125 1.00 0.00 WT5 O ATOM 53576 H1 TIP3 8193 56.847 23.114 47.400 1.00 0.00 WT5 H ATOM 53577 H2 TIP3 8193 57.419 24.441 47.850 1.00 0.00 WT5 H ATOM 53578 OH2 TIP3 8218 65.229 54.067 22.048 1.00 0.00 WT5 O ATOM 53579 H1 TIP3 8218 64.764 53.236 21.944 1.00 0.00 WT5 H ATOM 53580 H2 TIP3 8218 64.702 54.700 21.561 1.00 0.00 WT5 H ATOM 53581 OH2 TIP3 8222 45.577 37.263 -6.977 1.00 0.00 WT5 O ATOM 53582 H1 TIP3 8222 44.821 37.350 -7.557 1.00 0.00 WT5 H ATOM 53583 H2 TIP3 8222 45.354 37.792 -6.211 1.00 0.00 WT5 H ATOM 53584 OH2 TIP3 8229 57.284 14.789 15.857 1.00 0.00 WT5 O ATOM 53585 H1 TIP3 8229 57.122 15.691 15.580 1.00 0.00 WT5 H ATOM 53586 H2 TIP3 8229 57.225 14.817 16.811 1.00 0.00 WT5 H ATOM 53587 OH2 TIP3 8230 69.021 26.686 42.108 1.00 0.00 WT5 O ATOM 53588 H1 TIP3 8230 68.996 25.941 41.507 1.00 0.00 WT5 H ATOM 53589 H2 TIP3 8230 68.791 26.316 42.960 1.00 0.00 WT5 H ATOM 53590 OH2 TIP3 8260 25.985 94.805 64.989 1.00 0.00 WT5 O ATOM 53591 H1 TIP3 8260 25.448 95.320 65.591 1.00 0.00 WT5 H ATOM 53592 H2 TIP3 8260 26.785 94.619 65.481 1.00 0.00 WT5 H ATOM 53593 OH2 TIP3 8263 83.442 93.518 61.811 1.00 0.00 WT5 O ATOM 53594 H1 TIP3 8263 83.841 92.651 61.874 1.00 0.00 WT5 H ATOM 53595 H2 TIP3 8263 83.650 93.939 62.646 1.00 0.00 WT5 H ATOM 53596 OH2 TIP3 8264 72.247 76.776 17.180 1.00 0.00 WT5 O ATOM 53597 H1 TIP3 8264 72.842 76.213 17.676 1.00 0.00 WT5 H ATOM 53598 H2 TIP3 8264 72.678 77.631 17.171 1.00 0.00 WT5 H ATOM 53599 OH2 TIP3 8265 50.106 5.129 33.103 1.00 0.00 WT5 O ATOM 53600 H1 TIP3 8265 50.216 5.539 32.246 1.00 0.00 WT5 H ATOM 53601 H2 TIP3 8265 50.965 4.757 33.304 1.00 0.00 WT5 H ATOM 53602 OH2 TIP3 8266 88.514 31.719 -17.171 1.00 0.00 WT5 O ATOM 53603 H1 TIP3 8266 89.442 31.949 -17.126 1.00 0.00 WT5 H ATOM 53604 H2 TIP3 8266 88.080 32.527 -17.445 1.00 0.00 WT5 H ATOM 53605 OH2 TIP3 8278 73.974 47.308 59.737 1.00 0.00 WT5 O ATOM 53606 H1 TIP3 8278 73.943 46.470 59.277 1.00 0.00 WT5 H ATOM 53607 H2 TIP3 8278 74.657 47.805 59.286 1.00 0.00 WT5 H ATOM 53608 OH2 TIP3 8290 59.176 27.870 19.598 1.00 0.00 WT5 O ATOM 53609 H1 TIP3 8290 58.758 27.501 18.820 1.00 0.00 WT5 H ATOM 53610 H2 TIP3 8290 58.779 28.736 19.696 1.00 0.00 WT5 H ATOM 53611 OH2 TIP3 8308 77.440 56.227 55.272 1.00 0.00 WT5 O ATOM 53612 H1 TIP3 8308 77.138 55.351 55.511 1.00 0.00 WT5 H ATOM 53613 H2 TIP3 8308 76.736 56.809 55.556 1.00 0.00 WT5 H ATOM 53614 OH2 TIP3 8309 71.002 92.603 46.788 1.00 0.00 WT5 O ATOM 53615 H1 TIP3 8309 70.171 92.194 46.548 1.00 0.00 WT5 H ATOM 53616 H2 TIP3 8309 71.593 91.868 46.951 1.00 0.00 WT5 H ATOM 53617 OH2 TIP3 8328 89.884 83.109 63.279 1.00 0.00 WT5 O ATOM 53618 H1 TIP3 8328 90.770 83.249 62.946 1.00 0.00 WT5 H ATOM 53619 H2 TIP3 8328 89.713 82.180 63.123 1.00 0.00 WT5 H ATOM 53620 OH2 TIP3 8330 68.036 40.003 31.366 1.00 0.00 WT5 O ATOM 53621 H1 TIP3 8330 68.464 39.376 30.783 1.00 0.00 WT5 H ATOM 53622 H2 TIP3 8330 68.708 40.661 31.545 1.00 0.00 WT5 H ATOM 53623 OH2 TIP3 8351 32.987 62.281 19.193 1.00 0.00 WT5 O ATOM 53624 H1 TIP3 8351 33.760 62.512 19.708 1.00 0.00 WT5 H ATOM 53625 H2 TIP3 8351 33.224 61.462 18.759 1.00 0.00 WT5 H ATOM 53626 OH2 TIP3 8352 59.423 0.906 2.833 1.00 0.00 WT5 O ATOM 53627 H1 TIP3 8352 60.331 0.650 2.994 1.00 0.00 WT5 H ATOM 53628 H2 TIP3 8352 58.902 0.226 3.259 1.00 0.00 WT5 H ATOM 53629 OH2 TIP3 8357 47.158 91.566 10.542 1.00 0.00 WT5 O ATOM 53630 H1 TIP3 8357 47.776 90.868 10.325 1.00 0.00 WT5 H ATOM 53631 H2 TIP3 8357 47.324 91.754 11.466 1.00 0.00 WT5 H ATOM 53632 OH2 TIP3 8361 79.750 84.977 38.754 1.00 0.00 WT5 O ATOM 53633 H1 TIP3 8361 80.408 84.566 39.314 1.00 0.00 WT5 H ATOM 53634 H2 TIP3 8361 80.221 85.681 38.307 1.00 0.00 WT5 H ATOM 53635 OH2 TIP3 8368 65.992 68.600 17.456 1.00 0.00 WT5 O ATOM 53636 H1 TIP3 8368 65.180 69.021 17.174 1.00 0.00 WT5 H ATOM 53637 H2 TIP3 8368 65.706 67.885 18.025 1.00 0.00 WT5 H ATOM 53638 OH2 TIP3 8375 28.559 84.750 54.786 1.00 0.00 WT5 O ATOM 53639 H1 TIP3 8375 27.961 84.021 54.620 1.00 0.00 WT5 H ATOM 53640 H2 TIP3 8375 28.001 85.527 54.770 1.00 0.00 WT5 H ATOM 53641 OH2 TIP3 8376 36.988 2.176 24.491 1.00 0.00 WT5 O ATOM 53642 H1 TIP3 8376 37.290 1.570 25.168 1.00 0.00 WT5 H ATOM 53643 H2 TIP3 8376 37.318 1.805 23.672 1.00 0.00 WT5 H ATOM 53644 OH2 TIP3 8383 64.624 41.125 -6.256 1.00 0.00 WT5 O ATOM 53645 H1 TIP3 8383 65.012 41.798 -5.697 1.00 0.00 WT5 H ATOM 53646 H2 TIP3 8383 64.733 40.311 -5.763 1.00 0.00 WT5 H ATOM 53647 OH2 TIP3 8393 67.888 28.981 9.883 1.00 0.00 WT5 O ATOM 53648 H1 TIP3 8393 68.511 29.705 9.941 1.00 0.00 WT5 H ATOM 53649 H2 TIP3 8393 67.080 29.384 9.563 1.00 0.00 WT5 H ATOM 53650 OH2 TIP3 8395 65.581 26.561 46.830 1.00 0.00 WT5 O ATOM 53651 H1 TIP3 8395 64.673 26.522 46.531 1.00 0.00 WT5 H ATOM 53652 H2 TIP3 8395 65.659 25.840 47.455 1.00 0.00 WT5 H ATOM 53653 OH2 TIP3 8403 38.466 8.843 42.237 1.00 0.00 WT5 O ATOM 53654 H1 TIP3 8403 37.938 8.420 42.914 1.00 0.00 WT5 H ATOM 53655 H2 TIP3 8403 37.901 9.533 41.889 1.00 0.00 WT5 H ATOM 53656 OH2 TIP3 8408 57.599 35.485 60.279 1.00 0.00 WT5 O ATOM 53657 H1 TIP3 8408 57.811 36.410 60.155 1.00 0.00 WT5 H ATOM 53658 H2 TIP3 8408 57.153 35.231 59.471 1.00 0.00 WT5 H ATOM 53659 OH2 TIP3 8411 35.592 19.780 34.040 1.00 0.00 WT5 O ATOM 53660 H1 TIP3 8411 36.110 20.312 34.645 1.00 0.00 WT5 H ATOM 53661 H2 TIP3 8411 35.703 20.206 33.190 1.00 0.00 WT5 H ATOM 53662 OH2 TIP3 8414 53.854 88.857 62.213 1.00 0.00 WT5 O ATOM 53663 H1 TIP3 8414 53.367 88.342 62.855 1.00 0.00 WT5 H ATOM 53664 H2 TIP3 8414 54.727 88.466 62.204 1.00 0.00 WT5 H ATOM 53665 OH2 TIP3 8419 26.138 1.573 49.410 1.00 0.00 WT5 O ATOM 53666 H1 TIP3 8419 26.968 1.207 49.103 1.00 0.00 WT5 H ATOM 53667 H2 TIP3 8419 25.883 1.009 50.140 1.00 0.00 WT5 H ATOM 53668 OH2 TIP3 8425 54.667 29.844 -15.602 1.00 0.00 WT5 O ATOM 53669 H1 TIP3 8425 54.244 29.054 -15.938 1.00 0.00 WT5 H ATOM 53670 H2 TIP3 8425 55.473 29.919 -16.112 1.00 0.00 WT5 H ATOM 53671 OH2 TIP3 8440 40.303 3.432 38.296 1.00 0.00 WT5 O ATOM 53672 H1 TIP3 8440 39.602 3.390 38.947 1.00 0.00 WT5 H ATOM 53673 H2 TIP3 8440 39.858 3.315 37.457 1.00 0.00 WT5 H ATOM 53674 OH2 TIP3 8448 72.114 21.379 36.381 1.00 0.00 WT5 O ATOM 53675 H1 TIP3 8448 71.982 20.567 35.892 1.00 0.00 WT5 H ATOM 53676 H2 TIP3 8448 73.006 21.312 36.721 1.00 0.00 WT5 H ATOM 53677 OH2 TIP3 8452 23.966 32.593 64.432 1.00 0.00 WT5 O ATOM 53678 H1 TIP3 8452 24.766 32.816 64.909 1.00 0.00 WT5 H ATOM 53679 H2 TIP3 8452 23.296 33.165 64.808 1.00 0.00 WT5 H ATOM 53680 OH2 TIP3 8459 59.371 9.609 11.783 1.00 0.00 WT5 O ATOM 53681 H1 TIP3 8459 59.530 10.148 12.558 1.00 0.00 WT5 H ATOM 53682 H2 TIP3 8459 60.039 9.887 11.157 1.00 0.00 WT5 H ATOM 53683 OH2 TIP3 8466 79.729 31.363 53.472 1.00 0.00 WT5 O ATOM 53684 H1 TIP3 8466 78.827 31.364 53.151 1.00 0.00 WT5 H ATOM 53685 H2 TIP3 8466 79.884 32.264 53.756 1.00 0.00 WT5 H ATOM 53686 OH2 TIP3 8468 40.890 23.002 57.728 1.00 0.00 WT5 O ATOM 53687 H1 TIP3 8468 41.498 22.616 57.097 1.00 0.00 WT5 H ATOM 53688 H2 TIP3 8468 41.023 22.497 58.530 1.00 0.00 WT5 H ATOM 53689 OH2 TIP3 8488 67.673 52.212 22.188 1.00 0.00 WT5 O ATOM 53690 H1 TIP3 8488 67.076 51.805 21.561 1.00 0.00 WT5 H ATOM 53691 H2 TIP3 8488 67.203 52.985 22.500 1.00 0.00 WT5 H ATOM 53692 OH2 TIP3 8492 23.363 34.587 23.951 1.00 0.00 WT5 O ATOM 53693 H1 TIP3 8492 23.795 34.777 24.784 1.00 0.00 WT5 H ATOM 53694 H2 TIP3 8492 23.755 33.763 23.660 1.00 0.00 WT5 H ATOM 53695 OH2 TIP3 8500 53.360 90.166 56.556 1.00 0.00 WT5 O ATOM 53696 H1 TIP3 8500 52.963 90.400 55.717 1.00 0.00 WT5 H ATOM 53697 H2 TIP3 8500 54.297 90.103 56.369 1.00 0.00 WT5 H ATOM 53698 OH2 TIP3 8518 77.614 10.097 58.651 1.00 0.00 WT5 O ATOM 53699 H1 TIP3 8518 77.979 10.078 57.766 1.00 0.00 WT5 H ATOM 53700 H2 TIP3 8518 76.673 9.971 58.525 1.00 0.00 WT5 H ATOM 53701 OH2 TIP3 8520 59.070 14.221 11.522 1.00 0.00 WT5 O ATOM 53702 H1 TIP3 8520 59.911 13.833 11.278 1.00 0.00 WT5 H ATOM 53703 H2 TIP3 8520 59.071 14.213 12.479 1.00 0.00 WT5 H ATOM 53704 OH2 TIP3 8534 52.306 95.247 28.055 1.00 0.00 WT5 O ATOM 53705 H1 TIP3 8534 53.239 95.152 28.244 1.00 0.00 WT5 H ATOM 53706 H2 TIP3 8534 52.170 94.738 27.256 1.00 0.00 WT5 H ATOM 53707 OH2 TIP3 8536 47.723 5.652 -9.048 1.00 0.00 WT5 O ATOM 53708 H1 TIP3 8536 47.678 5.741 -8.096 1.00 0.00 WT5 H ATOM 53709 H2 TIP3 8536 46.849 5.897 -9.353 1.00 0.00 WT5 H ATOM 53710 OH2 TIP3 8537 32.693 39.675 45.483 1.00 0.00 WT5 O ATOM 53711 H1 TIP3 8537 32.531 39.172 46.282 1.00 0.00 WT5 H ATOM 53712 H2 TIP3 8537 32.925 39.016 44.828 1.00 0.00 WT5 H ATOM 53713 OH2 TIP3 8549 88.657 79.437 32.856 1.00 0.00 WT5 O ATOM 53714 H1 TIP3 8549 88.641 78.833 32.114 1.00 0.00 WT5 H ATOM 53715 H2 TIP3 8549 89.520 79.312 33.250 1.00 0.00 WT5 H ATOM 53716 OH2 TIP3 8556 86.437 69.536 -1.790 1.00 0.00 WT5 O ATOM 53717 H1 TIP3 8556 85.828 69.273 -2.481 1.00 0.00 WT5 H ATOM 53718 H2 TIP3 8556 86.543 68.751 -1.253 1.00 0.00 WT5 H ATOM 53719 OH2 TIP3 8558 69.130 83.322 -7.449 1.00 0.00 WT5 O ATOM 53720 H1 TIP3 8558 69.582 83.784 -8.155 1.00 0.00 WT5 H ATOM 53721 H2 TIP3 8558 68.311 83.022 -7.844 1.00 0.00 WT5 H ATOM 53722 OH2 TIP3 8560 23.646 49.970 63.243 1.00 0.00 WT5 O ATOM 53723 H1 TIP3 8560 23.479 50.590 63.953 1.00 0.00 WT5 H ATOM 53724 H2 TIP3 8560 24.169 49.277 63.647 1.00 0.00 WT5 H ATOM 53725 OH2 TIP3 8566 85.265 16.643 1.521 1.00 0.00 WT5 O ATOM 53726 H1 TIP3 8566 85.230 15.719 1.769 1.00 0.00 WT5 H ATOM 53727 H2 TIP3 8566 84.553 17.051 2.014 1.00 0.00 WT5 H ATOM 53728 OH2 TIP3 8567 54.900 68.382 48.485 1.00 0.00 WT5 O ATOM 53729 H1 TIP3 8567 53.952 68.516 48.481 1.00 0.00 WT5 H ATOM 53730 H2 TIP3 8567 55.262 69.224 48.211 1.00 0.00 WT5 H ATOM 53731 OH2 TIP3 8570 30.514 65.633 31.569 1.00 0.00 WT5 O ATOM 53732 H1 TIP3 8570 29.986 65.334 30.828 1.00 0.00 WT5 H ATOM 53733 H2 TIP3 8570 31.069 66.323 31.205 1.00 0.00 WT5 H ATOM 53734 OH2 TIP3 8574 72.473 5.562 47.369 1.00 0.00 WT5 O ATOM 53735 H1 TIP3 8574 72.288 4.675 47.677 1.00 0.00 WT5 H ATOM 53736 H2 TIP3 8574 72.146 6.131 48.066 1.00 0.00 WT5 H ATOM 53737 OH2 TIP3 8585 36.236 25.045 4.109 1.00 0.00 WT5 O ATOM 53738 H1 TIP3 8585 35.774 25.842 4.370 1.00 0.00 WT5 H ATOM 53739 H2 TIP3 8585 37.099 25.349 3.829 1.00 0.00 WT5 H ATOM 53740 OH2 TIP3 8600 21.203 92.239 9.659 1.00 0.00 WT5 O ATOM 53741 H1 TIP3 8600 20.945 92.882 8.998 1.00 0.00 WT5 H ATOM 53742 H2 TIP3 8600 20.586 92.374 10.379 1.00 0.00 WT5 H ATOM 53743 OH2 TIP3 8608 41.010 13.363 19.827 1.00 0.00 WT5 O ATOM 53744 H1 TIP3 8608 41.110 14.015 19.133 1.00 0.00 WT5 H ATOM 53745 H2 TIP3 8608 41.890 13.258 20.187 1.00 0.00 WT5 H ATOM 53746 OH2 TIP3 8622 73.972 62.912 26.493 1.00 0.00 WT5 O ATOM 53747 H1 TIP3 8622 74.464 62.299 27.039 1.00 0.00 WT5 H ATOM 53748 H2 TIP3 8622 73.054 62.718 26.681 1.00 0.00 WT5 H ATOM 53749 OH2 TIP3 8626 29.832 21.040 -11.942 1.00 0.00 WT5 O ATOM 53750 H1 TIP3 8626 29.519 20.290 -12.448 1.00 0.00 WT5 H ATOM 53751 H2 TIP3 8626 29.779 20.753 -11.031 1.00 0.00 WT5 H ATOM 53752 OH2 TIP3 8628 64.168 32.681 65.852 1.00 0.00 WT5 O ATOM 53753 H1 TIP3 8628 63.446 32.273 66.329 1.00 0.00 WT5 H ATOM 53754 H2 TIP3 8628 64.086 33.615 66.045 1.00 0.00 WT5 H ATOM 53755 OH2 TIP3 8642 44.520 45.012 62.714 1.00 0.00 WT5 O ATOM 53756 H1 TIP3 8642 44.796 45.344 61.860 1.00 0.00 WT5 H ATOM 53757 H2 TIP3 8642 45.338 44.806 63.167 1.00 0.00 WT5 H ATOM 53758 OH2 TIP3 8645 57.136 5.401 53.931 1.00 0.00 WT5 O ATOM 53759 H1 TIP3 8645 57.235 5.951 53.154 1.00 0.00 WT5 H ATOM 53760 H2 TIP3 8645 57.853 5.668 54.506 1.00 0.00 WT5 H ATOM 53761 OH2 TIP3 8653 60.119 31.662 51.909 1.00 0.00 WT5 O ATOM 53762 H1 TIP3 8653 60.933 31.255 52.204 1.00 0.00 WT5 H ATOM 53763 H2 TIP3 8653 60.162 32.557 52.246 1.00 0.00 WT5 H ATOM 53764 OH2 TIP3 8658 67.834 47.989 49.380 1.00 0.00 WT5 O ATOM 53765 H1 TIP3 8658 68.168 48.362 48.564 1.00 0.00 WT5 H ATOM 53766 H2 TIP3 8658 66.994 47.598 49.139 1.00 0.00 WT5 H ATOM 53767 OH2 TIP3 8661 67.368 28.304 -7.345 1.00 0.00 WT5 O ATOM 53768 H1 TIP3 8661 66.677 27.642 -7.368 1.00 0.00 WT5 H ATOM 53769 H2 TIP3 8661 67.678 28.359 -8.248 1.00 0.00 WT5 H ATOM 53770 OH2 TIP3 8662 39.719 45.458 52.839 1.00 0.00 WT5 O ATOM 53771 H1 TIP3 8662 40.509 45.177 52.376 1.00 0.00 WT5 H ATOM 53772 H2 TIP3 8662 39.682 46.404 52.698 1.00 0.00 WT5 H ATOM 53773 OH2 TIP3 8666 39.091 48.373 6.484 1.00 0.00 WT5 O ATOM 53774 H1 TIP3 8666 39.541 49.214 6.568 1.00 0.00 WT5 H ATOM 53775 H2 TIP3 8666 38.568 48.299 7.282 1.00 0.00 WT5 H ATOM 53776 OH2 TIP3 8675 68.832 30.415 2.634 1.00 0.00 WT5 O ATOM 53777 H1 TIP3 8675 68.731 31.357 2.769 1.00 0.00 WT5 H ATOM 53778 H2 TIP3 8675 69.767 30.253 2.759 1.00 0.00 WT5 H ATOM 53779 OH2 TIP3 8679 36.295 70.127 11.883 1.00 0.00 WT5 O ATOM 53780 H1 TIP3 8679 36.175 71.075 11.819 1.00 0.00 WT5 H ATOM 53781 H2 TIP3 8679 37.243 70.008 11.939 1.00 0.00 WT5 H ATOM 53782 OH2 TIP3 8680 26.519 80.887 63.824 1.00 0.00 WT5 O ATOM 53783 H1 TIP3 8680 26.048 81.708 63.677 1.00 0.00 WT5 H ATOM 53784 H2 TIP3 8680 26.963 80.714 62.994 1.00 0.00 WT5 H ATOM 53785 OH2 TIP3 8683 58.784 75.322 5.037 1.00 0.00 WT5 O ATOM 53786 H1 TIP3 8683 58.460 74.437 4.871 1.00 0.00 WT5 H ATOM 53787 H2 TIP3 8683 58.762 75.411 5.989 1.00 0.00 WT5 H ATOM 53788 OH2 TIP3 8687 46.168 38.341 19.141 1.00 0.00 WT5 O ATOM 53789 H1 TIP3 8687 47.040 38.586 19.453 1.00 0.00 WT5 H ATOM 53790 H2 TIP3 8687 46.187 37.385 19.102 1.00 0.00 WT5 H ATOM 53791 OH2 TIP3 8688 67.242 7.443 5.552 1.00 0.00 WT5 O ATOM 53792 H1 TIP3 8688 66.598 8.080 5.861 1.00 0.00 WT5 H ATOM 53793 H2 TIP3 8688 67.959 7.975 5.205 1.00 0.00 WT5 H ATOM 53794 OH2 TIP3 8690 83.177 37.804 29.208 1.00 0.00 WT5 O ATOM 53795 H1 TIP3 8690 82.732 37.523 30.007 1.00 0.00 WT5 H ATOM 53796 H2 TIP3 8690 82.539 37.653 28.511 1.00 0.00 WT5 H ATOM 53797 OH2 TIP3 8691 88.069 48.389 5.304 1.00 0.00 WT5 O ATOM 53798 H1 TIP3 8691 87.802 47.522 5.000 1.00 0.00 WT5 H ATOM 53799 H2 TIP3 8691 87.546 48.539 6.092 1.00 0.00 WT5 H ATOM 53800 OH2 TIP3 8695 71.625 83.871 51.184 1.00 0.00 WT5 O ATOM 53801 H1 TIP3 8695 71.290 83.584 50.335 1.00 0.00 WT5 H ATOM 53802 H2 TIP3 8695 72.571 83.745 51.125 1.00 0.00 WT5 H ATOM 53803 OH2 TIP3 8699 49.578 82.768 40.956 1.00 0.00 WT5 O ATOM 53804 H1 TIP3 8699 49.573 82.335 40.102 1.00 0.00 WT5 H ATOM 53805 H2 TIP3 8699 49.549 82.051 41.589 1.00 0.00 WT5 H ATOM 53806 OH2 TIP3 8701 58.574 76.961 46.989 1.00 0.00 WT5 O ATOM 53807 H1 TIP3 8701 58.880 76.152 47.398 1.00 0.00 WT5 H ATOM 53808 H2 TIP3 8701 59.223 77.617 47.240 1.00 0.00 WT5 H ATOM 53809 OH2 TIP3 8711 21.855 89.641 46.781 1.00 0.00 WT5 O ATOM 53810 H1 TIP3 8711 20.912 89.572 46.633 1.00 0.00 WT5 H ATOM 53811 H2 TIP3 8711 22.239 88.991 46.193 1.00 0.00 WT5 H ATOM 53812 OH2 TIP3 8713 60.105 82.371 62.310 1.00 0.00 WT5 O ATOM 53813 H1 TIP3 8713 59.406 82.044 61.743 1.00 0.00 WT5 H ATOM 53814 H2 TIP3 8713 60.870 81.845 62.076 1.00 0.00 WT5 H ATOM 53815 OH2 TIP3 8721 31.556 62.121 -7.504 1.00 0.00 WT5 O ATOM 53816 H1 TIP3 8721 30.638 62.125 -7.234 1.00 0.00 WT5 H ATOM 53817 H2 TIP3 8721 31.830 63.035 -7.434 1.00 0.00 WT5 H ATOM 53818 OH2 TIP3 8722 31.866 83.432 12.940 1.00 0.00 WT5 O ATOM 53819 H1 TIP3 8722 31.120 83.980 13.184 1.00 0.00 WT5 H ATOM 53820 H2 TIP3 8722 32.339 83.949 12.287 1.00 0.00 WT5 H ATOM 53821 OH2 TIP3 8723 58.421 43.955 51.855 1.00 0.00 WT5 O ATOM 53822 H1 TIP3 8723 57.635 43.775 52.371 1.00 0.00 WT5 H ATOM 53823 H2 TIP3 8723 58.404 43.302 51.156 1.00 0.00 WT5 H ATOM 53824 OH2 TIP3 8732 26.518 27.652 -4.138 1.00 0.00 WT5 O ATOM 53825 H1 TIP3 8732 26.065 28.097 -3.421 1.00 0.00 WT5 H ATOM 53826 H2 TIP3 8732 25.850 27.548 -4.816 1.00 0.00 WT5 H ATOM 53827 OH2 TIP3 8748 63.439 58.656 45.078 1.00 0.00 WT5 O ATOM 53828 H1 TIP3 8748 64.015 58.028 45.514 1.00 0.00 WT5 H ATOM 53829 H2 TIP3 8748 62.575 58.491 45.453 1.00 0.00 WT5 H ATOM 53830 OH2 TIP3 8774 69.833 89.655 9.849 1.00 0.00 WT5 O ATOM 53831 H1 TIP3 8774 69.304 89.105 9.272 1.00 0.00 WT5 H ATOM 53832 H2 TIP3 8774 70.711 89.277 9.804 1.00 0.00 WT5 H ATOM 53833 OH2 TIP3 8780 62.511 40.289 55.305 1.00 0.00 WT5 O ATOM 53834 H1 TIP3 8780 63.085 40.052 54.576 1.00 0.00 WT5 H ATOM 53835 H2 TIP3 8780 62.243 41.188 55.116 1.00 0.00 WT5 H ATOM 53836 OH2 TIP3 8791 54.446 60.887 47.961 1.00 0.00 WT5 O ATOM 53837 H1 TIP3 8791 55.392 60.989 48.063 1.00 0.00 WT5 H ATOM 53838 H2 TIP3 8791 54.306 60.883 47.014 1.00 0.00 WT5 H ATOM 53839 OH2 TIP3 8800 46.645 41.313 3.159 1.00 0.00 WT5 O ATOM 53840 H1 TIP3 8800 46.290 41.759 3.928 1.00 0.00 WT5 H ATOM 53841 H2 TIP3 8800 47.586 41.259 3.327 1.00 0.00 WT5 H ATOM 53842 OH2 TIP3 8809 20.768 13.004 53.750 1.00 0.00 WT5 O ATOM 53843 H1 TIP3 8809 20.829 13.005 54.706 1.00 0.00 WT5 H ATOM 53844 H2 TIP3 8809 20.550 13.907 53.522 1.00 0.00 WT5 H ATOM 53845 OH2 TIP3 8813 31.919 80.781 11.351 1.00 0.00 WT5 O ATOM 53846 H1 TIP3 8813 32.534 81.415 11.720 1.00 0.00 WT5 H ATOM 53847 H2 TIP3 8813 32.407 79.958 11.328 1.00 0.00 WT5 H ATOM 53848 OH2 TIP3 8822 20.554 74.849 -6.343 1.00 0.00 WT5 O ATOM 53849 H1 TIP3 8822 20.822 74.061 -5.872 1.00 0.00 WT5 H ATOM 53850 H2 TIP3 8822 20.600 75.547 -5.690 1.00 0.00 WT5 H ATOM 53851 OH2 TIP3 8824 24.008 70.943 41.763 1.00 0.00 WT5 O ATOM 53852 H1 TIP3 8824 24.790 70.554 41.370 1.00 0.00 WT5 H ATOM 53853 H2 TIP3 8824 23.461 70.193 41.998 1.00 0.00 WT5 H ATOM 53854 OH2 TIP3 8829 60.919 84.605 -5.664 1.00 0.00 WT5 O ATOM 53855 H1 TIP3 8829 60.225 84.880 -6.262 1.00 0.00 WT5 H ATOM 53856 H2 TIP3 8829 60.588 83.801 -5.265 1.00 0.00 WT5 H ATOM 53857 OH2 TIP3 8833 57.292 25.674 -12.552 1.00 0.00 WT5 O ATOM 53858 H1 TIP3 8833 57.782 26.185 -13.196 1.00 0.00 WT5 H ATOM 53859 H2 TIP3 8833 56.492 26.177 -12.404 1.00 0.00 WT5 H ATOM 53860 OH2 TIP3 8841 38.207 31.021 -18.562 1.00 0.00 WT5 O ATOM 53861 H1 TIP3 8841 38.213 31.918 -18.227 1.00 0.00 WT5 H ATOM 53862 H2 TIP3 8841 37.916 30.490 -17.821 1.00 0.00 WT5 H ATOM 53863 OH2 TIP3 8845 81.205 64.212 15.500 1.00 0.00 WT5 O ATOM 53864 H1 TIP3 8845 82.046 64.653 15.618 1.00 0.00 WT5 H ATOM 53865 H2 TIP3 8845 81.418 63.413 15.018 1.00 0.00 WT5 H ATOM 53866 OH2 TIP3 8851 50.614 4.310 19.998 1.00 0.00 WT5 O ATOM 53867 H1 TIP3 8851 50.410 3.626 19.360 1.00 0.00 WT5 H ATOM 53868 H2 TIP3 8851 50.515 5.129 19.512 1.00 0.00 WT5 H ATOM 53869 OH2 TIP3 8855 73.274 47.552 -16.742 1.00 0.00 WT5 O ATOM 53870 H1 TIP3 8855 72.494 47.560 -17.296 1.00 0.00 WT5 H ATOM 53871 H2 TIP3 8855 73.816 46.849 -17.101 1.00 0.00 WT5 H ATOM 53872 OH2 TIP3 8860 42.956 86.514 49.985 1.00 0.00 WT5 O ATOM 53873 H1 TIP3 8860 43.594 86.746 49.310 1.00 0.00 WT5 H ATOM 53874 H2 TIP3 8860 43.176 85.613 50.222 1.00 0.00 WT5 H ATOM 53875 OH2 TIP3 8864 59.255 8.901 -19.802 1.00 0.00 WT5 O ATOM 53876 H1 TIP3 8864 59.551 9.811 -19.826 1.00 0.00 WT5 H ATOM 53877 H2 TIP3 8864 60.050 8.395 -19.634 1.00 0.00 WT5 H ATOM 53878 OH2 TIP3 8870 77.462 54.770 4.945 1.00 0.00 WT5 O ATOM 53879 H1 TIP3 8870 76.567 54.723 5.282 1.00 0.00 WT5 H ATOM 53880 H2 TIP3 8870 77.815 53.890 5.079 1.00 0.00 WT5 H ATOM 53881 OH2 TIP3 8872 84.342 55.819 10.258 1.00 0.00 WT5 O ATOM 53882 H1 TIP3 8872 84.545 55.697 11.185 1.00 0.00 WT5 H ATOM 53883 H2 TIP3 8872 84.099 56.742 10.186 1.00 0.00 WT5 H ATOM 53884 OH2 TIP3 8876 32.323 64.914 -6.658 1.00 0.00 WT5 O ATOM 53885 H1 TIP3 8876 33.011 64.782 -6.005 1.00 0.00 WT5 H ATOM 53886 H2 TIP3 8876 31.813 65.651 -6.322 1.00 0.00 WT5 H ATOM 53887 OH2 TIP3 8877 75.539 43.397 54.239 1.00 0.00 WT5 O ATOM 53888 H1 TIP3 8877 74.625 43.628 54.405 1.00 0.00 WT5 H ATOM 53889 H2 TIP3 8877 75.782 43.913 53.471 1.00 0.00 WT5 H ATOM 53890 OH2 TIP3 8879 79.184 37.253 32.086 1.00 0.00 WT5 O ATOM 53891 H1 TIP3 8879 78.491 37.768 31.672 1.00 0.00 WT5 H ATOM 53892 H2 TIP3 8879 79.389 37.729 32.890 1.00 0.00 WT5 H ATOM 53893 OH2 TIP3 8890 30.122 36.990 12.165 1.00 0.00 WT5 O ATOM 53894 H1 TIP3 8890 30.720 37.239 11.460 1.00 0.00 WT5 H ATOM 53895 H2 TIP3 8890 30.599 36.324 12.660 1.00 0.00 WT5 H ATOM 53896 OH2 TIP3 8892 55.303 53.851 2.639 1.00 0.00 WT5 O ATOM 53897 H1 TIP3 8892 56.025 54.450 2.827 1.00 0.00 WT5 H ATOM 53898 H2 TIP3 8892 54.517 54.393 2.706 1.00 0.00 WT5 H ATOM 53899 OH2 TIP3 8893 43.192 16.124 -2.155 1.00 0.00 WT5 O ATOM 53900 H1 TIP3 8893 43.810 16.827 -1.958 1.00 0.00 WT5 H ATOM 53901 H2 TIP3 8893 43.718 15.325 -2.123 1.00 0.00 WT5 H ATOM 53902 OH2 TIP3 8894 89.434 60.017 -2.639 1.00 0.00 WT5 O ATOM 53903 H1 TIP3 8894 89.966 60.811 -2.684 1.00 0.00 WT5 H ATOM 53904 H2 TIP3 8894 90.034 59.312 -2.879 1.00 0.00 WT5 H ATOM 53905 OH2 TIP3 8904 24.422 11.505 33.066 1.00 0.00 WT5 O ATOM 53906 H1 TIP3 8904 25.222 11.192 33.490 1.00 0.00 WT5 H ATOM 53907 H2 TIP3 8904 24.730 11.981 32.295 1.00 0.00 WT5 H ATOM 53908 OH2 TIP3 8920 55.681 89.551 -10.976 1.00 0.00 WT5 O ATOM 53909 H1 TIP3 8920 55.517 88.859 -11.617 1.00 0.00 WT5 H ATOM 53910 H2 TIP3 8920 55.809 89.085 -10.149 1.00 0.00 WT5 H ATOM 53911 OH2 TIP3 8927 25.574 59.002 -6.302 1.00 0.00 WT5 O ATOM 53912 H1 TIP3 8927 25.942 59.630 -5.681 1.00 0.00 WT5 H ATOM 53913 H2 TIP3 8927 24.719 58.775 -5.936 1.00 0.00 WT5 H ATOM 53914 OH2 TIP3 8935 30.028 93.519 -16.098 1.00 0.00 WT5 O ATOM 53915 H1 TIP3 8935 30.567 93.329 -16.867 1.00 0.00 WT5 H ATOM 53916 H2 TIP3 8935 29.247 92.978 -16.213 1.00 0.00 WT5 H ATOM 53917 OH2 TIP3 8937 62.701 78.471 20.762 1.00 0.00 WT5 O ATOM 53918 H1 TIP3 8937 62.422 77.686 20.290 1.00 0.00 WT5 H ATOM 53919 H2 TIP3 8937 62.603 79.180 20.127 1.00 0.00 WT5 H ATOM 53920 OH2 TIP3 8938 79.153 16.040 59.675 1.00 0.00 WT5 O ATOM 53921 H1 TIP3 8938 79.758 16.259 58.967 1.00 0.00 WT5 H ATOM 53922 H2 TIP3 8938 79.680 15.531 60.292 1.00 0.00 WT5 H ATOM 53923 OH2 TIP3 8939 86.664 67.727 -5.468 1.00 0.00 WT5 O ATOM 53924 H1 TIP3 8939 85.909 67.675 -6.055 1.00 0.00 WT5 H ATOM 53925 H2 TIP3 8939 87.320 67.158 -5.871 1.00 0.00 WT5 H ATOM 53926 OH2 TIP3 8942 65.260 83.058 30.092 1.00 0.00 WT5 O ATOM 53927 H1 TIP3 8942 64.445 83.463 29.798 1.00 0.00 WT5 H ATOM 53928 H2 TIP3 8942 65.767 82.927 29.291 1.00 0.00 WT5 H ATOM 53929 OH2 TIP3 8956 40.504 90.835 45.224 1.00 0.00 WT5 O ATOM 53930 H1 TIP3 8956 40.902 90.775 46.092 1.00 0.00 WT5 H ATOM 53931 H2 TIP3 8956 40.668 89.981 44.825 1.00 0.00 WT5 H ATOM 53932 OH2 TIP3 8960 40.965 6.637 17.504 1.00 0.00 WT5 O ATOM 53933 H1 TIP3 8960 41.273 6.755 18.402 1.00 0.00 WT5 H ATOM 53934 H2 TIP3 8960 40.328 5.925 17.560 1.00 0.00 WT5 H ATOM 53935 OH2 TIP3 8964 81.103 37.229 66.166 1.00 0.00 WT5 O ATOM 53936 H1 TIP3 8964 81.371 38.058 66.561 1.00 0.00 WT5 H ATOM 53937 H2 TIP3 8964 81.454 37.262 65.276 1.00 0.00 WT5 H ATOM 53938 OH2 TIP3 8972 65.736 43.857 8.502 1.00 0.00 WT5 O ATOM 53939 H1 TIP3 8972 65.467 43.246 9.188 1.00 0.00 WT5 H ATOM 53940 H2 TIP3 8972 66.429 44.380 8.904 1.00 0.00 WT5 H ATOM 53941 OH2 TIP3 8973 25.633 27.210 -7.236 1.00 0.00 WT5 O ATOM 53942 H1 TIP3 8973 24.871 27.666 -7.594 1.00 0.00 WT5 H ATOM 53943 H2 TIP3 8973 26.127 27.891 -6.779 1.00 0.00 WT5 H ATOM 53944 OH2 TIP3 8977 62.750 13.835 37.195 1.00 0.00 WT5 O ATOM 53945 H1 TIP3 8977 63.446 13.876 37.851 1.00 0.00 WT5 H ATOM 53946 H2 TIP3 8977 62.324 14.691 37.243 1.00 0.00 WT5 H ATOM 53947 OH2 TIP3 8982 76.868 43.785 -8.320 1.00 0.00 WT5 O ATOM 53948 H1 TIP3 8982 77.446 44.548 -8.341 1.00 0.00 WT5 H ATOM 53949 H2 TIP3 8982 76.275 43.914 -9.061 1.00 0.00 WT5 H ATOM 53950 OH2 TIP3 8984 69.430 20.291 52.373 1.00 0.00 WT5 O ATOM 53951 H1 TIP3 8984 69.612 19.567 51.773 1.00 0.00 WT5 H ATOM 53952 H2 TIP3 8984 68.973 19.883 53.109 1.00 0.00 WT5 H ATOM 53953 OH2 TIP3 8988 32.612 53.894 4.481 1.00 0.00 WT5 O ATOM 53954 H1 TIP3 8988 32.245 53.015 4.383 1.00 0.00 WT5 H ATOM 53955 H2 TIP3 8988 33.502 53.747 4.802 1.00 0.00 WT5 H ATOM 53956 OH2 TIP3 9005 39.823 34.974 57.621 1.00 0.00 WT5 O ATOM 53957 H1 TIP3 9005 39.502 35.613 56.985 1.00 0.00 WT5 H ATOM 53958 H2 TIP3 9005 39.158 34.286 57.626 1.00 0.00 WT5 H ATOM 53959 OH2 TIP3 9012 22.366 34.184 -5.082 1.00 0.00 WT5 O ATOM 53960 H1 TIP3 9012 22.776 34.560 -4.304 1.00 0.00 WT5 H ATOM 53961 H2 TIP3 9012 21.697 34.821 -5.332 1.00 0.00 WT5 H ATOM 53962 OH2 TIP3 9017 38.567 39.970 -2.214 1.00 0.00 WT5 O ATOM 53963 H1 TIP3 9017 38.019 40.513 -2.780 1.00 0.00 WT5 H ATOM 53964 H2 TIP3 9017 39.257 40.561 -1.910 1.00 0.00 WT5 H ATOM 53965 OH2 TIP3 9022 52.361 16.555 34.553 1.00 0.00 WT5 O ATOM 53966 H1 TIP3 9022 51.739 15.828 34.577 1.00 0.00 WT5 H ATOM 53967 H2 TIP3 9022 53.217 16.142 34.664 1.00 0.00 WT5 H ATOM 53968 OH2 TIP3 9029 90.727 37.372 33.182 1.00 0.00 WT5 O ATOM 53969 H1 TIP3 9029 90.256 36.974 32.450 1.00 0.00 WT5 H ATOM 53970 H2 TIP3 9029 90.117 38.018 33.537 1.00 0.00 WT5 H ATOM 53971 OH2 TIP3 9035 60.297 61.592 38.457 1.00 0.00 WT5 O ATOM 53972 H1 TIP3 9035 59.342 61.655 38.451 1.00 0.00 WT5 H ATOM 53973 H2 TIP3 9035 60.509 61.089 37.671 1.00 0.00 WT5 H ATOM 53974 OH2 TIP3 9047 76.535 34.321 39.832 1.00 0.00 WT5 O ATOM 53975 H1 TIP3 9047 75.789 34.553 40.385 1.00 0.00 WT5 H ATOM 53976 H2 TIP3 9047 76.176 34.293 38.945 1.00 0.00 WT5 H ATOM 53977 OH2 TIP3 9049 21.389 62.476 60.660 1.00 0.00 WT5 O ATOM 53978 H1 TIP3 9049 20.433 62.492 60.686 1.00 0.00 WT5 H ATOM 53979 H2 TIP3 9049 21.601 61.776 60.043 1.00 0.00 WT5 H ATOM 53980 OH2 TIP3 9055 41.330 8.856 42.019 1.00 0.00 WT5 O ATOM 53981 H1 TIP3 9055 40.522 8.392 42.237 1.00 0.00 WT5 H ATOM 53982 H2 TIP3 9055 41.045 9.594 41.481 1.00 0.00 WT5 H ATOM 53983 OH2 TIP3 9063 51.967 13.199 -8.492 1.00 0.00 WT5 O ATOM 53984 H1 TIP3 9063 51.268 13.708 -8.083 1.00 0.00 WT5 H ATOM 53985 H2 TIP3 9063 52.473 12.852 -7.757 1.00 0.00 WT5 H ATOM 53986 OH2 TIP3 9064 77.414 82.351 16.056 1.00 0.00 WT5 O ATOM 53987 H1 TIP3 9064 77.443 82.647 16.966 1.00 0.00 WT5 H ATOM 53988 H2 TIP3 9064 78.332 82.248 15.808 1.00 0.00 WT5 H ATOM 53989 OH2 TIP3 9065 34.388 63.630 29.876 1.00 0.00 WT5 O ATOM 53990 H1 TIP3 9065 34.713 63.791 30.762 1.00 0.00 WT5 H ATOM 53991 H2 TIP3 9065 35.160 63.718 29.317 1.00 0.00 WT5 H ATOM 53992 OH2 TIP3 9068 48.104 30.437 -16.656 1.00 0.00 WT5 O ATOM 53993 H1 TIP3 9068 48.507 29.844 -16.022 1.00 0.00 WT5 H ATOM 53994 H2 TIP3 9068 47.615 29.862 -17.245 1.00 0.00 WT5 H ATOM 53995 OH2 TIP3 9073 75.049 53.788 41.749 1.00 0.00 WT5 O ATOM 53996 H1 TIP3 9073 74.446 54.461 41.431 1.00 0.00 WT5 H ATOM 53997 H2 TIP3 9073 74.697 52.968 41.403 1.00 0.00 WT5 H ATOM 53998 OH2 TIP3 9077 35.040 72.779 59.381 1.00 0.00 WT5 O ATOM 53999 H1 TIP3 9077 34.338 72.816 60.030 1.00 0.00 WT5 H ATOM 54000 H2 TIP3 9077 34.992 71.891 59.026 1.00 0.00 WT5 H ATOM 54001 OH2 TIP3 9085 34.730 72.390 44.967 1.00 0.00 WT5 O ATOM 54002 H1 TIP3 9085 34.721 71.750 45.679 1.00 0.00 WT5 H ATOM 54003 H2 TIP3 9085 35.344 73.064 45.258 1.00 0.00 WT5 H ATOM 54004 OH2 TIP3 9091 33.615 22.002 11.237 1.00 0.00 WT5 O ATOM 54005 H1 TIP3 9091 33.929 21.183 11.620 1.00 0.00 WT5 H ATOM 54006 H2 TIP3 9091 34.286 22.241 10.598 1.00 0.00 WT5 H ATOM 54007 OH2 TIP3 9096 31.210 64.581 -18.259 1.00 0.00 WT5 O ATOM 54008 H1 TIP3 9096 30.807 65.445 -18.184 1.00 0.00 WT5 H ATOM 54009 H2 TIP3 9096 31.051 64.167 -17.411 1.00 0.00 WT5 H ATOM 54010 OH2 TIP3 9097 37.130 17.166 6.507 1.00 0.00 WT5 O ATOM 54011 H1 TIP3 9097 37.604 17.494 5.742 1.00 0.00 WT5 H ATOM 54012 H2 TIP3 9097 37.730 17.307 7.239 1.00 0.00 WT5 H ATOM 54013 OH2 TIP3 9102 72.151 51.246 5.661 1.00 0.00 WT5 O ATOM 54014 H1 TIP3 9102 72.437 51.908 6.290 1.00 0.00 WT5 H ATOM 54015 H2 TIP3 9102 71.441 50.782 6.107 1.00 0.00 WT5 H ATOM 54016 OH2 TIP3 9116 33.059 36.614 35.989 1.00 0.00 WT5 O ATOM 54017 H1 TIP3 9116 33.225 36.753 35.056 1.00 0.00 WT5 H ATOM 54018 H2 TIP3 9116 32.483 35.850 36.019 1.00 0.00 WT5 H ATOM 54019 OH2 TIP3 9118 73.386 9.406 62.333 1.00 0.00 WT5 O ATOM 54020 H1 TIP3 9118 72.701 9.361 63.000 1.00 0.00 WT5 H ATOM 54021 H2 TIP3 9118 74.056 9.974 62.715 1.00 0.00 WT5 H ATOM 54022 OH2 TIP3 9124 45.218 33.943 1.877 1.00 0.00 WT5 O ATOM 54023 H1 TIP3 9124 45.458 33.092 2.246 1.00 0.00 WT5 H ATOM 54024 H2 TIP3 9124 44.728 34.377 2.575 1.00 0.00 WT5 H ATOM 54025 OH2 TIP3 9125 49.964 59.979 65.908 1.00 0.00 WT5 O ATOM 54026 H1 TIP3 9125 49.906 60.789 66.414 1.00 0.00 WT5 H ATOM 54027 H2 TIP3 9125 50.862 59.966 65.577 1.00 0.00 WT5 H ATOM 54028 OH2 TIP3 9133 67.551 46.152 29.843 1.00 0.00 WT5 O ATOM 54029 H1 TIP3 9133 67.310 45.998 28.929 1.00 0.00 WT5 H ATOM 54030 H2 TIP3 9133 66.809 46.633 30.209 1.00 0.00 WT5 H ATOM 54031 OH2 TIP3 9143 42.494 63.288 37.997 1.00 0.00 WT5 O ATOM 54032 H1 TIP3 9143 43.207 63.320 38.635 1.00 0.00 WT5 H ATOM 54033 H2 TIP3 9143 42.623 62.461 37.534 1.00 0.00 WT5 H ATOM 54034 OH2 TIP3 9144 78.428 87.527 8.026 1.00 0.00 WT5 O ATOM 54035 H1 TIP3 9144 78.453 86.886 8.736 1.00 0.00 WT5 H ATOM 54036 H2 TIP3 9144 78.252 87.009 7.241 1.00 0.00 WT5 H ATOM 54037 OH2 TIP3 9157 86.382 19.804 -15.209 1.00 0.00 WT5 O ATOM 54038 H1 TIP3 9157 86.405 19.617 -14.271 1.00 0.00 WT5 H ATOM 54039 H2 TIP3 9157 85.566 20.287 -15.338 1.00 0.00 WT5 H ATOM 54040 OH2 TIP3 9158 38.945 10.931 17.051 1.00 0.00 WT5 O ATOM 54041 H1 TIP3 9158 38.150 11.431 16.864 1.00 0.00 WT5 H ATOM 54042 H2 TIP3 9158 39.596 11.277 16.441 1.00 0.00 WT5 H ATOM 54043 OH2 TIP3 9162 77.995 34.577 56.509 1.00 0.00 WT5 O ATOM 54044 H1 TIP3 9162 77.379 33.845 56.476 1.00 0.00 WT5 H ATOM 54045 H2 TIP3 9162 78.821 34.210 56.191 1.00 0.00 WT5 H ATOM 54046 OH2 TIP3 9171 79.591 61.328 3.600 1.00 0.00 WT5 O ATOM 54047 H1 TIP3 9171 79.912 62.114 3.158 1.00 0.00 WT5 H ATOM 54048 H2 TIP3 9171 80.363 60.767 3.683 1.00 0.00 WT5 H ATOM 54049 OH2 TIP3 9178 84.443 37.263 -11.114 1.00 0.00 WT5 O ATOM 54050 H1 TIP3 9178 83.634 37.676 -11.418 1.00 0.00 WT5 H ATOM 54051 H2 TIP3 9178 84.621 37.677 -10.270 1.00 0.00 WT5 H ATOM 54052 OH2 TIP3 9179 86.465 35.057 5.162 1.00 0.00 WT5 O ATOM 54053 H1 TIP3 9179 87.397 35.274 5.192 1.00 0.00 WT5 H ATOM 54054 H2 TIP3 9179 86.168 35.387 4.314 1.00 0.00 WT5 H ATOM 54055 OH2 TIP3 9182 36.091 60.048 31.944 1.00 0.00 WT5 O ATOM 54056 H1 TIP3 9182 36.907 59.895 31.468 1.00 0.00 WT5 H ATOM 54057 H2 TIP3 9182 36.269 59.737 32.832 1.00 0.00 WT5 H ATOM 54058 OH2 TIP3 9183 62.530 72.760 -3.389 1.00 0.00 WT5 O ATOM 54059 H1 TIP3 9183 62.053 72.085 -3.871 1.00 0.00 WT5 H ATOM 54060 H2 TIP3 9183 62.164 72.727 -2.505 1.00 0.00 WT5 H ATOM 54061 OH2 TIP3 9184 68.364 50.280 13.956 1.00 0.00 WT5 O ATOM 54062 H1 TIP3 9184 67.486 50.273 13.574 1.00 0.00 WT5 H ATOM 54063 H2 TIP3 9184 68.214 50.238 14.900 1.00 0.00 WT5 H ATOM 54064 OH2 TIP3 9188 25.044 7.374 34.101 1.00 0.00 WT5 O ATOM 54065 H1 TIP3 9188 25.266 7.278 33.175 1.00 0.00 WT5 H ATOM 54066 H2 TIP3 9188 24.189 7.804 34.100 1.00 0.00 WT5 H ATOM 54067 OH2 TIP3 9198 76.754 20.733 58.983 1.00 0.00 WT5 O ATOM 54068 H1 TIP3 9198 76.163 21.389 59.353 1.00 0.00 WT5 H ATOM 54069 H2 TIP3 9198 77.214 21.193 58.281 1.00 0.00 WT5 H ATOM 54070 OH2 TIP3 9211 30.549 3.449 18.807 1.00 0.00 WT5 O ATOM 54071 H1 TIP3 9211 30.757 3.201 19.708 1.00 0.00 WT5 H ATOM 54072 H2 TIP3 9211 29.643 3.166 18.684 1.00 0.00 WT5 H ATOM 54073 OH2 TIP3 9218 37.243 24.753 -12.736 1.00 0.00 WT5 O ATOM 54074 H1 TIP3 9218 36.774 25.587 -12.766 1.00 0.00 WT5 H ATOM 54075 H2 TIP3 9218 37.082 24.418 -11.854 1.00 0.00 WT5 H ATOM 54076 OH2 TIP3 9223 36.593 82.615 -1.249 1.00 0.00 WT5 O ATOM 54077 H1 TIP3 9223 36.662 82.814 -2.183 1.00 0.00 WT5 H ATOM 54078 H2 TIP3 9223 36.663 83.467 -0.818 1.00 0.00 WT5 H ATOM 54079 OH2 TIP3 9227 34.297 7.986 1.062 1.00 0.00 WT5 O ATOM 54080 H1 TIP3 9227 34.725 8.665 0.539 1.00 0.00 WT5 H ATOM 54081 H2 TIP3 9227 34.982 7.669 1.651 1.00 0.00 WT5 H ATOM 54082 OH2 TIP3 9250 49.702 83.706 12.535 1.00 0.00 WT5 O ATOM 54083 H1 TIP3 9250 49.342 84.026 13.362 1.00 0.00 WT5 H ATOM 54084 H2 TIP3 9250 49.246 82.879 12.379 1.00 0.00 WT5 H ATOM 54085 OH2 TIP3 9254 82.394 41.745 6.486 1.00 0.00 WT5 O ATOM 54086 H1 TIP3 9254 82.562 40.875 6.848 1.00 0.00 WT5 H ATOM 54087 H2 TIP3 9254 81.499 41.949 6.756 1.00 0.00 WT5 H ATOM 54088 OH2 TIP3 2 22.876 50.440 32.031 1.00 0.00 WT6 O ATOM 54089 H1 TIP3 2 21.943 50.232 32.070 1.00 0.00 WT6 H ATOM 54090 H2 TIP3 2 22.907 51.394 31.962 1.00 0.00 WT6 H ATOM 54091 OH2 TIP3 5 66.081 8.689 52.987 1.00 0.00 WT6 O ATOM 54092 H1 TIP3 5 66.629 8.266 52.326 1.00 0.00 WT6 H ATOM 54093 H2 TIP3 5 65.187 8.585 52.661 1.00 0.00 WT6 H ATOM 54094 OH2 TIP3 40 56.510 87.387 62.068 1.00 0.00 WT6 O ATOM 54095 H1 TIP3 40 56.223 87.675 61.201 1.00 0.00 WT6 H ATOM 54096 H2 TIP3 40 56.990 86.575 61.904 1.00 0.00 WT6 H ATOM 54097 OH2 TIP3 44 71.520 91.346 21.925 1.00 0.00 WT6 O ATOM 54098 H1 TIP3 44 72.072 90.980 22.617 1.00 0.00 WT6 H ATOM 54099 H2 TIP3 44 71.825 90.919 21.124 1.00 0.00 WT6 H ATOM 54100 OH2 TIP3 48 31.584 48.502 -2.388 1.00 0.00 WT6 O ATOM 54101 H1 TIP3 48 32.217 48.772 -3.054 1.00 0.00 WT6 H ATOM 54102 H2 TIP3 48 31.098 47.786 -2.797 1.00 0.00 WT6 H ATOM 54103 OH2 TIP3 65 35.345 18.049 48.530 1.00 0.00 WT6 O ATOM 54104 H1 TIP3 65 36.261 17.775 48.578 1.00 0.00 WT6 H ATOM 54105 H2 TIP3 65 34.933 17.408 47.950 1.00 0.00 WT6 H ATOM 54106 OH2 TIP3 67 48.079 62.171 13.697 1.00 0.00 WT6 O ATOM 54107 H1 TIP3 67 48.509 61.554 14.288 1.00 0.00 WT6 H ATOM 54108 H2 TIP3 67 48.676 62.247 12.953 1.00 0.00 WT6 H ATOM 54109 OH2 TIP3 87 67.942 41.143 33.927 1.00 0.00 WT6 O ATOM 54110 H1 TIP3 87 67.167 41.699 34.019 1.00 0.00 WT6 H ATOM 54111 H2 TIP3 87 67.728 40.551 33.207 1.00 0.00 WT6 H ATOM 54112 OH2 TIP3 113 54.756 49.096 65.570 1.00 0.00 WT6 O ATOM 54113 H1 TIP3 113 53.916 49.484 65.326 1.00 0.00 WT6 H ATOM 54114 H2 TIP3 113 54.524 48.280 66.014 1.00 0.00 WT6 H ATOM 54115 OH2 TIP3 149 66.594 16.368 -10.882 1.00 0.00 WT6 O ATOM 54116 H1 TIP3 149 67.204 16.587 -10.178 1.00 0.00 WT6 H ATOM 54117 H2 TIP3 149 66.152 17.194 -11.082 1.00 0.00 WT6 H ATOM 54118 OH2 TIP3 150 48.787 33.191 -7.672 1.00 0.00 WT6 O ATOM 54119 H1 TIP3 150 48.545 32.366 -7.250 1.00 0.00 WT6 H ATOM 54120 H2 TIP3 150 48.332 33.863 -7.164 1.00 0.00 WT6 H ATOM 54121 OH2 TIP3 167 87.524 91.040 -7.421 1.00 0.00 WT6 O ATOM 54122 H1 TIP3 167 87.890 91.818 -7.002 1.00 0.00 WT6 H ATOM 54123 H2 TIP3 167 87.834 90.310 -6.885 1.00 0.00 WT6 H ATOM 54124 OH2 TIP3 174 70.323 49.673 51.157 1.00 0.00 WT6 O ATOM 54125 H1 TIP3 174 69.803 50.471 51.247 1.00 0.00 WT6 H ATOM 54126 H2 TIP3 174 69.732 49.047 50.740 1.00 0.00 WT6 H ATOM 54127 OH2 TIP3 175 41.678 29.891 -16.652 1.00 0.00 WT6 O ATOM 54128 H1 TIP3 175 41.156 29.276 -16.137 1.00 0.00 WT6 H ATOM 54129 H2 TIP3 175 42.586 29.646 -16.471 1.00 0.00 WT6 H ATOM 54130 OH2 TIP3 178 22.397 94.052 -13.022 1.00 0.00 WT6 O ATOM 54131 H1 TIP3 178 23.104 93.743 -12.456 1.00 0.00 WT6 H ATOM 54132 H2 TIP3 178 22.759 94.002 -13.907 1.00 0.00 WT6 H ATOM 54133 OH2 TIP3 189 51.072 9.728 33.580 1.00 0.00 WT6 O ATOM 54134 H1 TIP3 189 50.913 10.343 32.863 1.00 0.00 WT6 H ATOM 54135 H2 TIP3 189 51.443 10.266 34.279 1.00 0.00 WT6 H ATOM 54136 OH2 TIP3 191 21.422 41.833 -1.413 1.00 0.00 WT6 O ATOM 54137 H1 TIP3 191 21.068 42.718 -1.327 1.00 0.00 WT6 H ATOM 54138 H2 TIP3 191 22.064 41.762 -0.707 1.00 0.00 WT6 H ATOM 54139 OH2 TIP3 194 22.322 41.660 -17.351 1.00 0.00 WT6 O ATOM 54140 H1 TIP3 194 22.443 41.282 -16.480 1.00 0.00 WT6 H ATOM 54141 H2 TIP3 194 22.803 41.074 -17.936 1.00 0.00 WT6 H ATOM 54142 OH2 TIP3 195 25.939 30.367 -8.771 1.00 0.00 WT6 O ATOM 54143 H1 TIP3 195 26.267 31.265 -8.813 1.00 0.00 WT6 H ATOM 54144 H2 TIP3 195 25.222 30.343 -9.404 1.00 0.00 WT6 H ATOM 54145 OH2 TIP3 196 37.737 6.043 40.283 1.00 0.00 WT6 O ATOM 54146 H1 TIP3 196 37.449 6.552 39.525 1.00 0.00 WT6 H ATOM 54147 H2 TIP3 196 38.160 6.684 40.855 1.00 0.00 WT6 H ATOM 54148 OH2 TIP3 237 76.464 1.411 -6.920 1.00 0.00 WT6 O ATOM 54149 H1 TIP3 237 76.909 0.587 -7.118 1.00 0.00 WT6 H ATOM 54150 H2 TIP3 237 76.951 1.774 -6.179 1.00 0.00 WT6 H ATOM 54151 OH2 TIP3 303 84.545 33.567 -17.297 1.00 0.00 WT6 O ATOM 54152 H1 TIP3 303 84.355 33.015 -16.538 1.00 0.00 WT6 H ATOM 54153 H2 TIP3 303 85.088 34.275 -16.949 1.00 0.00 WT6 H ATOM 54154 OH2 TIP3 338 75.599 7.539 37.783 1.00 0.00 WT6 O ATOM 54155 H1 TIP3 338 75.461 6.746 37.265 1.00 0.00 WT6 H ATOM 54156 H2 TIP3 338 75.096 8.213 37.328 1.00 0.00 WT6 H ATOM 54157 OH2 TIP3 344 83.665 73.078 13.868 1.00 0.00 WT6 O ATOM 54158 H1 TIP3 344 84.203 72.730 13.157 1.00 0.00 WT6 H ATOM 54159 H2 TIP3 344 83.878 72.527 14.621 1.00 0.00 WT6 H ATOM 54160 OH2 TIP3 384 86.851 47.756 26.828 1.00 0.00 WT6 O ATOM 54161 H1 TIP3 384 87.301 47.965 26.009 1.00 0.00 WT6 H ATOM 54162 H2 TIP3 384 86.137 48.391 26.879 1.00 0.00 WT6 H ATOM 54163 OH2 TIP3 401 57.250 14.749 60.479 1.00 0.00 WT6 O ATOM 54164 H1 TIP3 401 56.803 14.205 61.128 1.00 0.00 WT6 H ATOM 54165 H2 TIP3 401 56.738 14.635 59.678 1.00 0.00 WT6 H ATOM 54166 OH2 TIP3 416 28.332 59.740 66.850 1.00 0.00 WT6 O ATOM 54167 H1 TIP3 416 28.518 59.424 65.966 1.00 0.00 WT6 H ATOM 54168 H2 TIP3 416 27.746 59.081 67.223 1.00 0.00 WT6 H ATOM 54169 OH2 TIP3 425 21.569 70.481 44.620 1.00 0.00 WT6 O ATOM 54170 H1 TIP3 425 22.027 70.083 43.880 1.00 0.00 WT6 H ATOM 54171 H2 TIP3 425 20.824 70.935 44.225 1.00 0.00 WT6 H ATOM 54172 OH2 TIP3 460 25.301 35.967 46.256 1.00 0.00 WT6 O ATOM 54173 H1 TIP3 460 25.570 35.065 46.428 1.00 0.00 WT6 H ATOM 54174 H2 TIP3 460 25.995 36.323 45.702 1.00 0.00 WT6 H ATOM 54175 OH2 TIP3 470 78.045 7.375 9.296 1.00 0.00 WT6 O ATOM 54176 H1 TIP3 470 77.091 7.360 9.216 1.00 0.00 WT6 H ATOM 54177 H2 TIP3 470 78.334 7.975 8.608 1.00 0.00 WT6 H ATOM 54178 OH2 TIP3 472 67.289 65.138 -0.644 1.00 0.00 WT6 O ATOM 54179 H1 TIP3 472 66.862 65.222 0.209 1.00 0.00 WT6 H ATOM 54180 H2 TIP3 472 68.022 65.753 -0.607 1.00 0.00 WT6 H ATOM 54181 OH2 TIP3 485 89.722 94.340 44.218 1.00 0.00 WT6 O ATOM 54182 H1 TIP3 485 88.860 94.526 43.846 1.00 0.00 WT6 H ATOM 54183 H2 TIP3 485 90.286 95.035 43.879 1.00 0.00 WT6 H ATOM 54184 OH2 TIP3 486 41.569 91.649 62.515 1.00 0.00 WT6 O ATOM 54185 H1 TIP3 486 41.073 90.838 62.626 1.00 0.00 WT6 H ATOM 54186 H2 TIP3 486 41.059 92.158 61.884 1.00 0.00 WT6 H ATOM 54187 OH2 TIP3 489 51.905 13.047 25.123 1.00 0.00 WT6 O ATOM 54188 H1 TIP3 489 52.156 13.892 24.750 1.00 0.00 WT6 H ATOM 54189 H2 TIP3 489 52.432 12.407 24.645 1.00 0.00 WT6 H ATOM 54190 OH2 TIP3 503 35.538 72.417 -16.310 1.00 0.00 WT6 O ATOM 54191 H1 TIP3 503 35.767 72.852 -17.131 1.00 0.00 WT6 H ATOM 54192 H2 TIP3 503 34.894 71.755 -16.561 1.00 0.00 WT6 H ATOM 54193 OH2 TIP3 506 30.124 6.925 -1.347 1.00 0.00 WT6 O ATOM 54194 H1 TIP3 506 29.567 6.582 -0.648 1.00 0.00 WT6 H ATOM 54195 H2 TIP3 506 30.010 6.308 -2.070 1.00 0.00 WT6 H ATOM 54196 OH2 TIP3 509 53.189 58.842 -11.089 1.00 0.00 WT6 O ATOM 54197 H1 TIP3 509 52.973 59.593 -10.536 1.00 0.00 WT6 H ATOM 54198 H2 TIP3 509 53.868 58.374 -10.602 1.00 0.00 WT6 H ATOM 54199 OH2 TIP3 511 81.401 61.604 39.947 1.00 0.00 WT6 O ATOM 54200 H1 TIP3 511 81.758 60.816 39.538 1.00 0.00 WT6 H ATOM 54201 H2 TIP3 511 81.380 62.252 39.243 1.00 0.00 WT6 H ATOM 54202 OH2 TIP3 548 29.170 79.939 52.798 1.00 0.00 WT6 O ATOM 54203 H1 TIP3 548 28.265 79.756 52.543 1.00 0.00 WT6 H ATOM 54204 H2 TIP3 548 29.693 79.645 52.052 1.00 0.00 WT6 H ATOM 54205 OH2 TIP3 550 82.036 88.397 54.738 1.00 0.00 WT6 O ATOM 54206 H1 TIP3 550 81.330 87.762 54.620 1.00 0.00 WT6 H ATOM 54207 H2 TIP3 550 81.801 89.128 54.166 1.00 0.00 WT6 H ATOM 54208 OH2 TIP3 551 57.050 39.043 63.478 1.00 0.00 WT6 O ATOM 54209 H1 TIP3 551 56.737 39.823 63.937 1.00 0.00 WT6 H ATOM 54210 H2 TIP3 551 56.619 39.077 62.624 1.00 0.00 WT6 H ATOM 54211 OH2 TIP3 562 72.438 42.075 45.191 1.00 0.00 WT6 O ATOM 54212 H1 TIP3 562 73.381 41.997 45.335 1.00 0.00 WT6 H ATOM 54213 H2 TIP3 562 72.060 42.077 46.071 1.00 0.00 WT6 H ATOM 54214 OH2 TIP3 570 37.483 18.175 55.680 1.00 0.00 WT6 O ATOM 54215 H1 TIP3 570 36.829 18.874 55.647 1.00 0.00 WT6 H ATOM 54216 H2 TIP3 570 38.030 18.322 54.909 1.00 0.00 WT6 H ATOM 54217 OH2 TIP3 573 78.024 54.688 -19.472 1.00 0.00 WT6 O ATOM 54218 H1 TIP3 573 78.111 54.651 -18.519 1.00 0.00 WT6 H ATOM 54219 H2 TIP3 573 77.853 55.610 -19.662 1.00 0.00 WT6 H ATOM 54220 OH2 TIP3 575 31.791 88.402 44.282 1.00 0.00 WT6 O ATOM 54221 H1 TIP3 575 32.256 89.023 43.721 1.00 0.00 WT6 H ATOM 54222 H2 TIP3 575 32.273 87.581 44.181 1.00 0.00 WT6 H ATOM 54223 OH2 TIP3 584 63.400 88.971 48.398 1.00 0.00 WT6 O ATOM 54224 H1 TIP3 584 63.249 89.226 47.488 1.00 0.00 WT6 H ATOM 54225 H2 TIP3 584 62.942 88.136 48.492 1.00 0.00 WT6 H ATOM 54226 OH2 TIP3 591 73.044 30.187 27.272 1.00 0.00 WT6 O ATOM 54227 H1 TIP3 591 72.296 30.365 27.842 1.00 0.00 WT6 H ATOM 54228 H2 TIP3 591 73.740 29.914 27.870 1.00 0.00 WT6 H ATOM 54229 OH2 TIP3 593 46.545 23.414 36.819 1.00 0.00 WT6 O ATOM 54230 H1 TIP3 593 47.166 23.680 36.141 1.00 0.00 WT6 H ATOM 54231 H2 TIP3 593 46.151 24.234 37.118 1.00 0.00 WT6 H ATOM 54232 OH2 TIP3 594 34.249 14.468 55.194 1.00 0.00 WT6 O ATOM 54233 H1 TIP3 594 34.447 14.975 55.981 1.00 0.00 WT6 H ATOM 54234 H2 TIP3 594 34.758 14.890 54.502 1.00 0.00 WT6 H ATOM 54235 OH2 TIP3 616 69.985 15.988 47.966 1.00 0.00 WT6 O ATOM 54236 H1 TIP3 616 70.200 16.901 48.156 1.00 0.00 WT6 H ATOM 54237 H2 TIP3 616 69.172 16.033 47.463 1.00 0.00 WT6 H ATOM 54238 OH2 TIP3 638 57.489 54.557 59.914 1.00 0.00 WT6 O ATOM 54239 H1 TIP3 638 58.125 54.230 60.551 1.00 0.00 WT6 H ATOM 54240 H2 TIP3 638 57.702 54.094 59.103 1.00 0.00 WT6 H ATOM 54241 OH2 TIP3 677 22.319 66.152 3.019 1.00 0.00 WT6 O ATOM 54242 H1 TIP3 677 21.936 65.306 2.788 1.00 0.00 WT6 H ATOM 54243 H2 TIP3 677 22.076 66.732 2.297 1.00 0.00 WT6 H ATOM 54244 OH2 TIP3 715 63.053 92.749 53.371 1.00 0.00 WT6 O ATOM 54245 H1 TIP3 715 63.972 92.768 53.104 1.00 0.00 WT6 H ATOM 54246 H2 TIP3 715 62.895 91.839 53.623 1.00 0.00 WT6 H ATOM 54247 OH2 TIP3 717 37.028 3.961 31.857 1.00 0.00 WT6 O ATOM 54248 H1 TIP3 717 37.913 4.088 32.199 1.00 0.00 WT6 H ATOM 54249 H2 TIP3 717 36.987 3.031 31.635 1.00 0.00 WT6 H ATOM 54250 OH2 TIP3 721 65.372 41.597 48.554 1.00 0.00 WT6 O ATOM 54251 H1 TIP3 721 65.840 41.450 47.732 1.00 0.00 WT6 H ATOM 54252 H2 TIP3 721 65.232 40.720 48.911 1.00 0.00 WT6 H ATOM 54253 OH2 TIP3 738 63.091 36.312 1.534 1.00 0.00 WT6 O ATOM 54254 H1 TIP3 738 62.151 36.490 1.573 1.00 0.00 WT6 H ATOM 54255 H2 TIP3 738 63.488 37.161 1.340 1.00 0.00 WT6 H ATOM 54256 OH2 TIP3 746 88.963 50.896 -14.632 1.00 0.00 WT6 O ATOM 54257 H1 TIP3 746 89.252 50.609 -13.765 1.00 0.00 WT6 H ATOM 54258 H2 TIP3 746 89.746 50.829 -15.179 1.00 0.00 WT6 H ATOM 54259 OH2 TIP3 766 36.794 31.792 -3.894 1.00 0.00 WT6 O ATOM 54260 H1 TIP3 766 36.144 31.814 -3.192 1.00 0.00 WT6 H ATOM 54261 H2 TIP3 766 36.277 31.758 -4.699 1.00 0.00 WT6 H ATOM 54262 OH2 TIP3 778 22.537 16.811 66.559 1.00 0.00 WT6 O ATOM 54263 H1 TIP3 778 22.313 16.727 67.485 1.00 0.00 WT6 H ATOM 54264 H2 TIP3 778 22.159 17.651 66.295 1.00 0.00 WT6 H ATOM 54265 OH2 TIP3 779 44.759 95.305 -8.675 1.00 0.00 WT6 O ATOM 54266 H1 TIP3 779 45.452 95.955 -8.554 1.00 0.00 WT6 H ATOM 54267 H2 TIP3 779 44.410 95.160 -7.796 1.00 0.00 WT6 H ATOM 54268 OH2 TIP3 807 80.818 51.592 53.390 1.00 0.00 WT6 O ATOM 54269 H1 TIP3 807 81.041 52.144 52.641 1.00 0.00 WT6 H ATOM 54270 H2 TIP3 807 79.862 51.552 53.383 1.00 0.00 WT6 H ATOM 54271 OH2 TIP3 822 52.262 81.064 -15.504 1.00 0.00 WT6 O ATOM 54272 H1 TIP3 822 51.428 81.450 -15.234 1.00 0.00 WT6 H ATOM 54273 H2 TIP3 822 52.105 80.120 -15.490 1.00 0.00 WT6 H ATOM 54274 OH2 TIP3 824 52.376 39.486 61.451 1.00 0.00 WT6 O ATOM 54275 H1 TIP3 824 51.801 40.005 60.890 1.00 0.00 WT6 H ATOM 54276 H2 TIP3 824 53.066 40.094 61.716 1.00 0.00 WT6 H ATOM 54277 OH2 TIP3 843 84.755 76.437 58.875 1.00 0.00 WT6 O ATOM 54278 H1 TIP3 843 84.176 76.721 58.167 1.00 0.00 WT6 H ATOM 54279 H2 TIP3 843 85.490 76.014 58.429 1.00 0.00 WT6 H ATOM 54280 OH2 TIP3 846 85.005 94.197 -2.640 1.00 0.00 WT6 O ATOM 54281 H1 TIP3 846 84.084 94.300 -2.883 1.00 0.00 WT6 H ATOM 54282 H2 TIP3 846 85.416 93.816 -3.415 1.00 0.00 WT6 H ATOM 54283 OH2 TIP3 892 32.885 16.206 -17.048 1.00 0.00 WT6 O ATOM 54284 H1 TIP3 892 32.290 16.942 -17.187 1.00 0.00 WT6 H ATOM 54285 H2 TIP3 892 33.760 16.593 -17.086 1.00 0.00 WT6 H ATOM 54286 OH2 TIP3 908 87.786 8.839 50.193 1.00 0.00 WT6 O ATOM 54287 H1 TIP3 908 87.028 9.176 50.671 1.00 0.00 WT6 H ATOM 54288 H2 TIP3 908 88.091 9.582 49.672 1.00 0.00 WT6 H ATOM 54289 OH2 TIP3 928 77.067 30.323 47.100 1.00 0.00 WT6 O ATOM 54290 H1 TIP3 928 77.444 29.475 46.869 1.00 0.00 WT6 H ATOM 54291 H2 TIP3 928 77.801 30.935 47.049 1.00 0.00 WT6 H ATOM 54292 OH2 TIP3 930 70.816 82.657 -4.930 1.00 0.00 WT6 O ATOM 54293 H1 TIP3 930 71.067 81.734 -4.929 1.00 0.00 WT6 H ATOM 54294 H2 TIP3 930 70.591 82.844 -5.841 1.00 0.00 WT6 H ATOM 54295 OH2 TIP3 969 63.365 28.280 -9.078 1.00 0.00 WT6 O ATOM 54296 H1 TIP3 969 63.503 28.315 -10.024 1.00 0.00 WT6 H ATOM 54297 H2 TIP3 969 62.415 28.232 -8.975 1.00 0.00 WT6 H ATOM 54298 OH2 TIP3 987 57.107 11.185 -13.252 1.00 0.00 WT6 O ATOM 54299 H1 TIP3 987 56.751 11.860 -12.674 1.00 0.00 WT6 H ATOM 54300 H2 TIP3 987 56.337 10.744 -13.609 1.00 0.00 WT6 H ATOM 54301 OH2 TIP3 1013 25.964 1.150 54.692 1.00 0.00 WT6 O ATOM 54302 H1 TIP3 1013 26.628 0.942 54.034 1.00 0.00 WT6 H ATOM 54303 H2 TIP3 1013 25.154 1.250 54.191 1.00 0.00 WT6 H ATOM 54304 OH2 TIP3 1018 73.882 9.516 9.044 1.00 0.00 WT6 O ATOM 54305 H1 TIP3 1018 74.588 9.680 8.418 1.00 0.00 WT6 H ATOM 54306 H2 TIP3 1018 73.764 10.352 9.496 1.00 0.00 WT6 H ATOM 54307 OH2 TIP3 1076 72.193 39.522 16.533 1.00 0.00 WT6 O ATOM 54308 H1 TIP3 1076 71.662 39.564 15.738 1.00 0.00 WT6 H ATOM 54309 H2 TIP3 1076 73.089 39.670 16.231 1.00 0.00 WT6 H ATOM 54310 OH2 TIP3 1077 72.658 47.878 56.879 1.00 0.00 WT6 O ATOM 54311 H1 TIP3 1077 72.416 47.671 55.976 1.00 0.00 WT6 H ATOM 54312 H2 TIP3 1077 73.211 48.656 56.806 1.00 0.00 WT6 H ATOM 54313 OH2 TIP3 1098 31.911 11.513 -11.978 1.00 0.00 WT6 O ATOM 54314 H1 TIP3 1098 31.785 11.336 -12.911 1.00 0.00 WT6 H ATOM 54315 H2 TIP3 1098 31.721 10.680 -11.548 1.00 0.00 WT6 H ATOM 54316 OH2 TIP3 1122 45.935 16.759 60.059 1.00 0.00 WT6 O ATOM 54317 H1 TIP3 1122 46.404 17.143 59.318 1.00 0.00 WT6 H ATOM 54318 H2 TIP3 1122 46.164 15.830 60.033 1.00 0.00 WT6 H ATOM 54319 OH2 TIP3 1138 49.308 86.148 53.419 1.00 0.00 WT6 O ATOM 54320 H1 TIP3 1138 49.826 85.946 52.640 1.00 0.00 WT6 H ATOM 54321 H2 TIP3 1138 49.156 85.299 53.833 1.00 0.00 WT6 H ATOM 54322 OH2 TIP3 1163 54.897 24.436 36.287 1.00 0.00 WT6 O ATOM 54323 H1 TIP3 1163 54.462 24.583 35.447 1.00 0.00 WT6 H ATOM 54324 H2 TIP3 1163 55.164 25.309 36.574 1.00 0.00 WT6 H ATOM 54325 OH2 TIP3 1240 57.260 55.657 -1.710 1.00 0.00 WT6 O ATOM 54326 H1 TIP3 1240 57.534 54.859 -1.258 1.00 0.00 WT6 H ATOM 54327 H2 TIP3 1240 57.013 56.258 -1.008 1.00 0.00 WT6 H ATOM 54328 OH2 TIP3 1258 82.843 73.873 54.297 1.00 0.00 WT6 O ATOM 54329 H1 TIP3 1258 83.155 74.632 54.790 1.00 0.00 WT6 H ATOM 54330 H2 TIP3 1258 82.110 74.207 53.780 1.00 0.00 WT6 H ATOM 54331 OH2 TIP3 1281 53.737 75.997 -14.445 1.00 0.00 WT6 O ATOM 54332 H1 TIP3 1281 53.230 76.327 -13.702 1.00 0.00 WT6 H ATOM 54333 H2 TIP3 1281 54.198 75.232 -14.100 1.00 0.00 WT6 H ATOM 54334 OH2 TIP3 1285 81.997 74.330 30.031 1.00 0.00 WT6 O ATOM 54335 H1 TIP3 1285 82.017 73.380 30.149 1.00 0.00 WT6 H ATOM 54336 H2 TIP3 1285 81.871 74.679 30.913 1.00 0.00 WT6 H ATOM 54337 OH2 TIP3 1301 65.427 5.000 61.266 1.00 0.00 WT6 O ATOM 54338 H1 TIP3 1301 65.242 4.118 61.589 1.00 0.00 WT6 H ATOM 54339 H2 TIP3 1301 65.060 5.013 60.382 1.00 0.00 WT6 H ATOM 54340 OH2 TIP3 1303 34.724 26.426 -7.888 1.00 0.00 WT6 O ATOM 54341 H1 TIP3 1303 34.619 26.103 -8.784 1.00 0.00 WT6 H ATOM 54342 H2 TIP3 1303 34.179 27.212 -7.852 1.00 0.00 WT6 H ATOM 54343 OH2 TIP3 1345 38.538 18.204 3.350 1.00 0.00 WT6 O ATOM 54344 H1 TIP3 1345 38.945 17.607 2.723 1.00 0.00 WT6 H ATOM 54345 H2 TIP3 1345 38.671 19.074 2.975 1.00 0.00 WT6 H ATOM 54346 OH2 TIP3 1354 31.130 77.064 23.069 1.00 0.00 WT6 O ATOM 54347 H1 TIP3 1354 30.684 76.402 23.597 1.00 0.00 WT6 H ATOM 54348 H2 TIP3 1354 31.563 77.629 23.708 1.00 0.00 WT6 H ATOM 54349 OH2 TIP3 1370 72.207 54.022 54.363 1.00 0.00 WT6 O ATOM 54350 H1 TIP3 1370 72.209 53.715 53.456 1.00 0.00 WT6 H ATOM 54351 H2 TIP3 1370 71.284 54.174 54.563 1.00 0.00 WT6 H ATOM 54352 OH2 TIP3 1373 79.620 6.176 37.823 1.00 0.00 WT6 O ATOM 54353 H1 TIP3 1373 80.435 6.002 38.295 1.00 0.00 WT6 H ATOM 54354 H2 TIP3 1373 79.875 6.190 36.901 1.00 0.00 WT6 H ATOM 54355 OH2 TIP3 1387 22.082 70.404 -19.755 1.00 0.00 WT6 O ATOM 54356 H1 TIP3 1387 22.471 70.701 -18.933 1.00 0.00 WT6 H ATOM 54357 H2 TIP3 1387 21.780 69.515 -19.571 1.00 0.00 WT6 H ATOM 54358 OH2 TIP3 1408 80.326 79.695 45.660 1.00 0.00 WT6 O ATOM 54359 H1 TIP3 1408 81.189 79.990 45.949 1.00 0.00 WT6 H ATOM 54360 H2 TIP3 1408 80.362 79.743 44.705 1.00 0.00 WT6 H ATOM 54361 OH2 TIP3 1414 20.669 63.628 54.912 1.00 0.00 WT6 O ATOM 54362 H1 TIP3 1414 21.206 63.880 54.161 1.00 0.00 WT6 H ATOM 54363 H2 TIP3 1414 21.297 63.302 55.557 1.00 0.00 WT6 H ATOM 54364 OH2 TIP3 1429 89.882 80.300 27.179 1.00 0.00 WT6 O ATOM 54365 H1 TIP3 1429 90.773 80.224 26.836 1.00 0.00 WT6 H ATOM 54366 H2 TIP3 1429 89.963 80.076 28.106 1.00 0.00 WT6 H ATOM 54367 OH2 TIP3 1433 36.553 61.036 53.221 1.00 0.00 WT6 O ATOM 54368 H1 TIP3 1433 36.860 61.917 53.435 1.00 0.00 WT6 H ATOM 54369 H2 TIP3 1433 37.303 60.616 52.800 1.00 0.00 WT6 H ATOM 54370 OH2 TIP3 1440 59.628 65.763 -16.254 1.00 0.00 WT6 O ATOM 54371 H1 TIP3 1440 58.864 66.152 -16.680 1.00 0.00 WT6 H ATOM 54372 H2 TIP3 1440 59.315 65.505 -15.387 1.00 0.00 WT6 H ATOM 54373 OH2 TIP3 1451 71.272 39.816 60.052 1.00 0.00 WT6 O ATOM 54374 H1 TIP3 1451 70.498 40.327 60.287 1.00 0.00 WT6 H ATOM 54375 H2 TIP3 1451 70.977 39.244 59.344 1.00 0.00 WT6 H ATOM 54376 OH2 TIP3 1466 71.216 9.478 -15.355 1.00 0.00 WT6 O ATOM 54377 H1 TIP3 1466 70.451 9.033 -15.719 1.00 0.00 WT6 H ATOM 54378 H2 TIP3 1466 70.853 10.213 -14.860 1.00 0.00 WT6 H ATOM 54379 OH2 TIP3 1477 21.551 75.400 43.835 1.00 0.00 WT6 O ATOM 54380 H1 TIP3 1477 20.940 74.676 43.970 1.00 0.00 WT6 H ATOM 54381 H2 TIP3 1477 22.283 75.010 43.356 1.00 0.00 WT6 H ATOM 54382 OH2 TIP3 1480 53.337 10.393 -2.064 1.00 0.00 WT6 O ATOM 54383 H1 TIP3 1480 54.033 10.915 -1.664 1.00 0.00 WT6 H ATOM 54384 H2 TIP3 1480 53.123 9.733 -1.404 1.00 0.00 WT6 H ATOM 54385 OH2 TIP3 1492 20.131 57.604 -9.387 1.00 0.00 WT6 O ATOM 54386 H1 TIP3 1492 20.824 58.234 -9.585 1.00 0.00 WT6 H ATOM 54387 H2 TIP3 1492 20.138 57.531 -8.433 1.00 0.00 WT6 H ATOM 54388 OH2 TIP3 1573 71.199 89.840 27.399 1.00 0.00 WT6 O ATOM 54389 H1 TIP3 1573 71.767 89.153 27.751 1.00 0.00 WT6 H ATOM 54390 H2 TIP3 1573 70.320 89.463 27.429 1.00 0.00 WT6 H ATOM 54391 OH2 TIP3 1599 59.776 57.375 -15.088 1.00 0.00 WT6 O ATOM 54392 H1 TIP3 1599 59.083 56.728 -15.220 1.00 0.00 WT6 H ATOM 54393 H2 TIP3 1599 60.287 57.032 -14.354 1.00 0.00 WT6 H ATOM 54394 OH2 TIP3 1618 58.730 35.425 65.775 1.00 0.00 WT6 O ATOM 54395 H1 TIP3 1618 57.822 35.610 65.533 1.00 0.00 WT6 H ATOM 54396 H2 TIP3 1618 59.001 34.730 65.176 1.00 0.00 WT6 H ATOM 54397 OH2 TIP3 1624 43.058 72.701 48.108 1.00 0.00 WT6 O ATOM 54398 H1 TIP3 1624 42.122 72.899 48.140 1.00 0.00 WT6 H ATOM 54399 H2 TIP3 1624 43.127 71.966 47.498 1.00 0.00 WT6 H ATOM 54400 OH2 TIP3 1625 66.882 84.478 4.492 1.00 0.00 WT6 O ATOM 54401 H1 TIP3 1625 66.576 83.688 4.939 1.00 0.00 WT6 H ATOM 54402 H2 TIP3 1625 67.157 84.173 3.628 1.00 0.00 WT6 H ATOM 54403 OH2 TIP3 1648 77.584 48.931 54.623 1.00 0.00 WT6 O ATOM 54404 H1 TIP3 1648 77.482 49.198 55.536 1.00 0.00 WT6 H ATOM 54405 H2 TIP3 1648 77.708 49.752 54.146 1.00 0.00 WT6 H ATOM 54406 OH2 TIP3 1656 36.712 40.430 7.221 1.00 0.00 WT6 O ATOM 54407 H1 TIP3 1656 37.335 39.811 6.839 1.00 0.00 WT6 H ATOM 54408 H2 TIP3 1656 37.247 40.994 7.779 1.00 0.00 WT6 H ATOM 54409 OH2 TIP3 1664 54.336 29.788 65.376 1.00 0.00 WT6 O ATOM 54410 H1 TIP3 1664 53.623 29.300 64.965 1.00 0.00 WT6 H ATOM 54411 H2 TIP3 1664 54.197 30.694 65.099 1.00 0.00 WT6 H ATOM 54412 OH2 TIP3 1691 24.098 95.693 3.844 1.00 0.00 WT6 O ATOM 54413 H1 TIP3 1691 24.894 96.186 3.647 1.00 0.00 WT6 H ATOM 54414 H2 TIP3 1691 23.388 96.237 3.503 1.00 0.00 WT6 H ATOM 54415 OH2 TIP3 1706 25.439 48.466 19.392 1.00 0.00 WT6 O ATOM 54416 H1 TIP3 1706 25.065 48.439 18.512 1.00 0.00 WT6 H ATOM 54417 H2 TIP3 1706 25.748 49.366 19.493 1.00 0.00 WT6 H ATOM 54418 OH2 TIP3 1725 64.930 4.246 26.849 1.00 0.00 WT6 O ATOM 54419 H1 TIP3 1725 65.877 4.176 26.729 1.00 0.00 WT6 H ATOM 54420 H2 TIP3 1725 64.810 4.280 27.798 1.00 0.00 WT6 H ATOM 54421 OH2 TIP3 1733 46.461 77.342 62.868 1.00 0.00 WT6 O ATOM 54422 H1 TIP3 1733 46.661 78.106 62.327 1.00 0.00 WT6 H ATOM 54423 H2 TIP3 1733 45.807 76.857 62.366 1.00 0.00 WT6 H ATOM 54424 OH2 TIP3 1751 45.350 19.058 42.363 1.00 0.00 WT6 O ATOM 54425 H1 TIP3 1751 45.549 19.471 41.522 1.00 0.00 WT6 H ATOM 54426 H2 TIP3 1751 44.427 18.816 42.299 1.00 0.00 WT6 H ATOM 54427 OH2 TIP3 1769 54.162 70.429 26.730 1.00 0.00 WT6 O ATOM 54428 H1 TIP3 1769 53.309 70.138 27.055 1.00 0.00 WT6 H ATOM 54429 H2 TIP3 1769 54.043 70.509 25.784 1.00 0.00 WT6 H ATOM 54430 OH2 TIP3 1771 26.800 90.567 30.472 1.00 0.00 WT6 O ATOM 54431 H1 TIP3 1771 26.122 90.902 29.885 1.00 0.00 WT6 H ATOM 54432 H2 TIP3 1771 26.775 91.154 31.228 1.00 0.00 WT6 H ATOM 54433 OH2 TIP3 1849 55.831 20.415 26.246 1.00 0.00 WT6 O ATOM 54434 H1 TIP3 1849 55.271 20.253 25.487 1.00 0.00 WT6 H ATOM 54435 H2 TIP3 1849 55.533 21.257 26.589 1.00 0.00 WT6 H ATOM 54436 OH2 TIP3 1853 69.540 65.259 15.161 1.00 0.00 WT6 O ATOM 54437 H1 TIP3 1853 69.707 64.480 14.630 1.00 0.00 WT6 H ATOM 54438 H2 TIP3 1853 70.397 65.676 15.252 1.00 0.00 WT6 H ATOM 54439 OH2 TIP3 1892 58.038 48.795 -7.621 1.00 0.00 WT6 O ATOM 54440 H1 TIP3 1892 58.698 49.387 -7.260 1.00 0.00 WT6 H ATOM 54441 H2 TIP3 1892 57.351 49.374 -7.951 1.00 0.00 WT6 H ATOM 54442 OH2 TIP3 1897 40.529 36.939 20.057 1.00 0.00 WT6 O ATOM 54443 H1 TIP3 1897 41.396 37.194 20.371 1.00 0.00 WT6 H ATOM 54444 H2 TIP3 1897 40.703 36.341 19.331 1.00 0.00 WT6 H ATOM 54445 OH2 TIP3 1918 37.541 26.938 56.823 1.00 0.00 WT6 O ATOM 54446 H1 TIP3 1918 37.205 27.795 56.561 1.00 0.00 WT6 H ATOM 54447 H2 TIP3 1918 37.816 27.056 57.733 1.00 0.00 WT6 H ATOM 54448 OH2 TIP3 1978 65.419 44.242 65.034 1.00 0.00 WT6 O ATOM 54449 H1 TIP3 1978 64.736 43.574 65.090 1.00 0.00 WT6 H ATOM 54450 H2 TIP3 1978 65.962 43.969 64.294 1.00 0.00 WT6 H ATOM 54451 OH2 TIP3 2000 45.882 28.493 -19.707 1.00 0.00 WT6 O ATOM 54452 H1 TIP3 2000 46.526 28.265 -19.036 1.00 0.00 WT6 H ATOM 54453 H2 TIP3 2000 45.053 28.553 -19.233 1.00 0.00 WT6 H ATOM 54454 OH2 TIP3 2022 26.501 43.973 33.785 1.00 0.00 WT6 O ATOM 54455 H1 TIP3 2022 26.906 44.829 33.647 1.00 0.00 WT6 H ATOM 54456 H2 TIP3 2022 26.362 43.628 32.903 1.00 0.00 WT6 H ATOM 54457 OH2 TIP3 2083 28.106 81.947 14.822 1.00 0.00 WT6 O ATOM 54458 H1 TIP3 2083 28.293 82.702 15.381 1.00 0.00 WT6 H ATOM 54459 H2 TIP3 2083 28.792 81.315 15.035 1.00 0.00 WT6 H ATOM 54460 OH2 TIP3 2085 42.761 31.631 -7.149 1.00 0.00 WT6 O ATOM 54461 H1 TIP3 2085 41.807 31.561 -7.116 1.00 0.00 WT6 H ATOM 54462 H2 TIP3 2085 43.064 31.133 -6.390 1.00 0.00 WT6 H ATOM 54463 OH2 TIP3 2108 22.589 31.842 62.271 1.00 0.00 WT6 O ATOM 54464 H1 TIP3 2108 23.052 32.050 63.082 1.00 0.00 WT6 H ATOM 54465 H2 TIP3 2108 21.669 31.781 62.529 1.00 0.00 WT6 H ATOM 54466 OH2 TIP3 2150 26.009 82.488 39.522 1.00 0.00 WT6 O ATOM 54467 H1 TIP3 2150 25.982 82.312 38.582 1.00 0.00 WT6 H ATOM 54468 H2 TIP3 2150 25.148 82.216 39.842 1.00 0.00 WT6 H ATOM 54469 OH2 TIP3 2183 64.214 95.316 4.023 1.00 0.00 WT6 O ATOM 54470 H1 TIP3 2183 64.294 94.393 3.781 1.00 0.00 WT6 H ATOM 54471 H2 TIP3 2183 65.099 95.573 4.284 1.00 0.00 WT6 H ATOM 54472 OH2 TIP3 2190 26.242 66.818 3.207 1.00 0.00 WT6 O ATOM 54473 H1 TIP3 2190 26.054 67.238 4.046 1.00 0.00 WT6 H ATOM 54474 H2 TIP3 2190 26.955 66.209 3.398 1.00 0.00 WT6 H ATOM 54475 OH2 TIP3 2231 46.192 78.510 57.700 1.00 0.00 WT6 O ATOM 54476 H1 TIP3 2231 45.766 78.186 56.907 1.00 0.00 WT6 H ATOM 54477 H2 TIP3 2231 47.043 78.070 57.713 1.00 0.00 WT6 H ATOM 54478 OH2 TIP3 2270 37.164 19.336 -2.819 1.00 0.00 WT6 O ATOM 54479 H1 TIP3 2270 38.014 19.747 -2.976 1.00 0.00 WT6 H ATOM 54480 H2 TIP3 2270 36.988 18.837 -3.616 1.00 0.00 WT6 H ATOM 54481 OH2 TIP3 2288 49.819 46.430 9.124 1.00 0.00 WT6 O ATOM 54482 H1 TIP3 2288 49.608 45.538 9.401 1.00 0.00 WT6 H ATOM 54483 H2 TIP3 2288 50.746 46.534 9.336 1.00 0.00 WT6 H ATOM 54484 OH2 TIP3 2290 67.084 54.493 56.684 1.00 0.00 WT6 O ATOM 54485 H1 TIP3 2290 66.570 54.814 55.943 1.00 0.00 WT6 H ATOM 54486 H2 TIP3 2290 66.431 54.217 57.328 1.00 0.00 WT6 H ATOM 54487 OH2 TIP3 2293 44.561 9.774 23.554 1.00 0.00 WT6 O ATOM 54488 H1 TIP3 2293 45.322 9.921 22.992 1.00 0.00 WT6 H ATOM 54489 H2 TIP3 2293 44.928 9.654 24.429 1.00 0.00 WT6 H ATOM 54490 OH2 TIP3 2317 74.531 39.493 64.966 1.00 0.00 WT6 O ATOM 54491 H1 TIP3 2317 74.514 40.376 65.335 1.00 0.00 WT6 H ATOM 54492 H2 TIP3 2317 73.610 39.273 64.827 1.00 0.00 WT6 H ATOM 54493 OH2 TIP3 2357 21.805 30.646 55.637 1.00 0.00 WT6 O ATOM 54494 H1 TIP3 2357 22.281 31.475 55.607 1.00 0.00 WT6 H ATOM 54495 H2 TIP3 2357 21.761 30.427 56.567 1.00 0.00 WT6 H ATOM 54496 OH2 TIP3 2358 22.320 0.467 56.712 1.00 0.00 WT6 O ATOM 54497 H1 TIP3 2358 22.667 1.248 56.282 1.00 0.00 WT6 H ATOM 54498 H2 TIP3 2358 23.094 -0.048 56.938 1.00 0.00 WT6 H ATOM 54499 OH2 TIP3 2500 35.180 35.705 40.845 1.00 0.00 WT6 O ATOM 54500 H1 TIP3 2500 35.236 34.806 41.167 1.00 0.00 WT6 H ATOM 54501 H2 TIP3 2500 34.406 35.711 40.281 1.00 0.00 WT6 H ATOM 54502 OH2 TIP3 2521 44.892 94.458 42.497 1.00 0.00 WT6 O ATOM 54503 H1 TIP3 2521 45.786 94.652 42.215 1.00 0.00 WT6 H ATOM 54504 H2 TIP3 2521 44.425 94.250 41.688 1.00 0.00 WT6 H ATOM 54505 OH2 TIP3 2524 27.446 53.770 -15.206 1.00 0.00 WT6 O ATOM 54506 H1 TIP3 2524 26.502 53.749 -15.362 1.00 0.00 WT6 H ATOM 54507 H2 TIP3 2524 27.536 53.644 -14.262 1.00 0.00 WT6 H ATOM 54508 OH2 TIP3 2525 85.327 53.122 40.819 1.00 0.00 WT6 O ATOM 54509 H1 TIP3 2525 85.913 53.455 41.499 1.00 0.00 WT6 H ATOM 54510 H2 TIP3 2525 85.401 53.757 40.107 1.00 0.00 WT6 H ATOM 54511 OH2 TIP3 2570 28.056 39.755 50.666 1.00 0.00 WT6 O ATOM 54512 H1 TIP3 2570 27.599 39.288 49.966 1.00 0.00 WT6 H ATOM 54513 H2 TIP3 2570 28.173 40.642 50.326 1.00 0.00 WT6 H ATOM 54514 OH2 TIP3 2714 37.010 11.558 -4.410 1.00 0.00 WT6 O ATOM 54515 H1 TIP3 2714 36.329 12.161 -4.709 1.00 0.00 WT6 H ATOM 54516 H2 TIP3 2714 37.365 11.179 -5.214 1.00 0.00 WT6 H ATOM 54517 OH2 TIP3 2781 63.443 71.245 -19.425 1.00 0.00 WT6 O ATOM 54518 H1 TIP3 2781 63.407 71.320 -18.471 1.00 0.00 WT6 H ATOM 54519 H2 TIP3 2781 63.721 72.112 -19.723 1.00 0.00 WT6 H ATOM 54520 OH2 TIP3 2802 30.762 54.565 29.712 1.00 0.00 WT6 O ATOM 54521 H1 TIP3 2802 31.226 53.782 29.415 1.00 0.00 WT6 H ATOM 54522 H2 TIP3 2802 31.001 55.241 29.077 1.00 0.00 WT6 H ATOM 54523 OH2 TIP3 3029 45.105 39.392 41.193 1.00 0.00 WT6 O ATOM 54524 H1 TIP3 3029 45.568 39.155 40.390 1.00 0.00 WT6 H ATOM 54525 H2 TIP3 3029 44.264 39.737 40.891 1.00 0.00 WT6 H ATOM 54526 OH2 TIP3 5421 25.221 26.676 16.942 1.00 0.00 WT6 O ATOM 54527 H1 TIP3 5421 24.466 27.032 17.411 1.00 0.00 WT6 H ATOM 54528 H2 TIP3 5421 25.954 27.227 17.215 1.00 0.00 WT6 H ATOM 54529 OH2 TIP3 6240 43.619 14.808 -18.737 1.00 0.00 WT6 O ATOM 54530 H1 TIP3 6240 44.226 14.183 -19.133 1.00 0.00 WT6 H ATOM 54531 H2 TIP3 6240 43.064 14.276 -18.167 1.00 0.00 WT6 H ATOM 54532 OH2 TIP3 6350 80.563 90.265 15.424 1.00 0.00 WT6 O ATOM 54533 H1 TIP3 6350 80.572 89.853 16.288 1.00 0.00 WT6 H ATOM 54534 H2 TIP3 6350 81.335 90.829 15.419 1.00 0.00 WT6 H ATOM 54535 OH2 TIP3 6671 43.123 96.229 6.481 1.00 0.00 WT6 O ATOM 54536 H1 TIP3 6671 43.919 96.620 6.841 1.00 0.00 WT6 H ATOM 54537 H2 TIP3 6671 43.438 95.544 5.891 1.00 0.00 WT6 H ATOM 54538 OH2 TIP3 6980 48.477 18.086 48.055 1.00 0.00 WT6 O ATOM 54539 H1 TIP3 6980 47.625 17.890 48.445 1.00 0.00 WT6 H ATOM 54540 H2 TIP3 6980 48.536 17.501 47.300 1.00 0.00 WT6 H ATOM 54541 OH2 TIP3 7563 85.866 88.775 59.419 1.00 0.00 WT6 O ATOM 54542 H1 TIP3 7563 85.838 87.840 59.623 1.00 0.00 WT6 H ATOM 54543 H2 TIP3 7563 85.718 89.208 60.260 1.00 0.00 WT6 H ATOM 54544 OH2 TIP3 7583 87.372 92.046 -11.271 1.00 0.00 WT6 O ATOM 54545 H1 TIP3 7583 87.092 92.495 -12.068 1.00 0.00 WT6 H ATOM 54546 H2 TIP3 7583 86.955 92.535 -10.561 1.00 0.00 WT6 H ATOM 54547 OH2 TIP3 7603 77.198 23.524 41.833 1.00 0.00 WT6 O ATOM 54548 H1 TIP3 7603 76.448 23.871 41.349 1.00 0.00 WT6 H ATOM 54549 H2 TIP3 7603 77.773 23.163 41.159 1.00 0.00 WT6 H ATOM 54550 OH2 TIP3 7607 68.037 14.750 14.670 1.00 0.00 WT6 O ATOM 54551 H1 TIP3 7607 67.092 14.847 14.553 1.00 0.00 WT6 H ATOM 54552 H2 TIP3 7607 68.222 13.851 14.398 1.00 0.00 WT6 H ATOM 54553 OH2 TIP3 7630 62.023 20.651 9.172 1.00 0.00 WT6 O ATOM 54554 H1 TIP3 7630 61.286 20.811 9.761 1.00 0.00 WT6 H ATOM 54555 H2 TIP3 7630 61.728 20.979 8.323 1.00 0.00 WT6 H ATOM 54556 OH2 TIP3 7631 40.544 10.639 45.864 1.00 0.00 WT6 O ATOM 54557 H1 TIP3 7631 40.839 10.875 46.744 1.00 0.00 WT6 H ATOM 54558 H2 TIP3 7631 41.351 10.546 45.358 1.00 0.00 WT6 H ATOM 54559 OH2 TIP3 7647 29.418 33.146 14.312 1.00 0.00 WT6 O ATOM 54560 H1 TIP3 7647 28.989 33.779 13.736 1.00 0.00 WT6 H ATOM 54561 H2 TIP3 7647 29.872 33.683 14.961 1.00 0.00 WT6 H ATOM 54562 OH2 TIP3 7650 83.478 70.540 36.772 1.00 0.00 WT6 O ATOM 54563 H1 TIP3 7650 84.138 70.577 37.464 1.00 0.00 WT6 H ATOM 54564 H2 TIP3 7650 83.471 69.623 36.496 1.00 0.00 WT6 H ATOM 54565 OH2 TIP3 7707 71.727 6.763 49.804 1.00 0.00 WT6 O ATOM 54566 H1 TIP3 7707 71.731 7.117 50.693 1.00 0.00 WT6 H ATOM 54567 H2 TIP3 7707 70.831 6.454 49.672 1.00 0.00 WT6 H ATOM 54568 OH2 TIP3 7748 38.879 52.498 39.747 1.00 0.00 WT6 O ATOM 54569 H1 TIP3 7748 38.993 53.445 39.821 1.00 0.00 WT6 H ATOM 54570 H2 TIP3 7748 39.434 52.246 39.009 1.00 0.00 WT6 H ATOM 54571 OH2 TIP3 7833 44.082 30.633 65.431 1.00 0.00 WT6 O ATOM 54572 H1 TIP3 7833 43.362 30.005 65.371 1.00 0.00 WT6 H ATOM 54573 H2 TIP3 7833 43.895 31.138 66.222 1.00 0.00 WT6 H ATOM 54574 OH2 TIP3 7944 34.217 80.784 63.060 1.00 0.00 WT6 O ATOM 54575 H1 TIP3 7944 35.026 80.679 62.560 1.00 0.00 WT6 H ATOM 54576 H2 TIP3 7944 33.544 80.940 62.398 1.00 0.00 WT6 H ATOM 54577 OH2 TIP3 7959 21.190 71.376 2.161 1.00 0.00 WT6 O ATOM 54578 H1 TIP3 7959 21.275 70.670 2.802 1.00 0.00 WT6 H ATOM 54579 H2 TIP3 7959 21.983 71.314 1.629 1.00 0.00 WT6 H ATOM 54580 OH2 TIP3 7979 63.085 92.251 17.476 1.00 0.00 WT6 O ATOM 54581 H1 TIP3 7979 62.975 91.399 17.899 1.00 0.00 WT6 H ATOM 54582 H2 TIP3 7979 63.278 92.852 18.196 1.00 0.00 WT6 H ATOM 54583 OH2 TIP3 7985 68.517 0.460 -8.647 1.00 0.00 WT6 O ATOM 54584 H1 TIP3 7985 68.490 0.218 -7.721 1.00 0.00 WT6 H ATOM 54585 H2 TIP3 7985 69.448 0.574 -8.839 1.00 0.00 WT6 H ATOM 54586 OH2 TIP3 8023 76.852 90.342 23.625 1.00 0.00 WT6 O ATOM 54587 H1 TIP3 8023 76.444 90.817 24.349 1.00 0.00 WT6 H ATOM 54588 H2 TIP3 8023 76.580 89.433 23.751 1.00 0.00 WT6 H ATOM 54589 OH2 TIP3 8024 42.393 38.402 59.588 1.00 0.00 WT6 O ATOM 54590 H1 TIP3 8024 41.621 37.876 59.795 1.00 0.00 WT6 H ATOM 54591 H2 TIP3 8024 42.434 38.401 58.631 1.00 0.00 WT6 H ATOM 54592 OH2 TIP3 8046 58.132 37.579 43.948 1.00 0.00 WT6 O ATOM 54593 H1 TIP3 8046 57.725 37.669 43.086 1.00 0.00 WT6 H ATOM 54594 H2 TIP3 8046 57.941 38.405 44.391 1.00 0.00 WT6 H ATOM 54595 OH2 TIP3 8064 86.880 30.528 -1.711 1.00 0.00 WT6 O ATOM 54596 H1 TIP3 8064 86.680 31.387 -2.084 1.00 0.00 WT6 H ATOM 54597 H2 TIP3 8064 86.750 30.639 -0.769 1.00 0.00 WT6 H ATOM 54598 OH2 TIP3 8067 73.276 17.365 39.537 1.00 0.00 WT6 O ATOM 54599 H1 TIP3 8067 72.507 17.226 38.983 1.00 0.00 WT6 H ATOM 54600 H2 TIP3 8067 73.512 16.489 39.842 1.00 0.00 WT6 H ATOM 54601 OH2 TIP3 8068 71.377 75.294 36.301 1.00 0.00 WT6 O ATOM 54602 H1 TIP3 8068 70.483 75.560 36.089 1.00 0.00 WT6 H ATOM 54603 H2 TIP3 8068 71.703 74.885 35.499 1.00 0.00 WT6 H ATOM 54604 OH2 TIP3 8136 58.026 67.502 40.001 1.00 0.00 WT6 O ATOM 54605 H1 TIP3 8136 58.218 66.576 40.146 1.00 0.00 WT6 H ATOM 54606 H2 TIP3 8136 57.224 67.502 39.477 1.00 0.00 WT6 H ATOM 54607 OH2 TIP3 8173 53.838 27.026 -16.340 1.00 0.00 WT6 O ATOM 54608 H1 TIP3 8173 52.946 27.372 -16.326 1.00 0.00 WT6 H ATOM 54609 H2 TIP3 8173 53.745 26.114 -16.062 1.00 0.00 WT6 H ATOM 54610 OH2 TIP3 8174 22.262 50.645 43.396 1.00 0.00 WT6 O ATOM 54611 H1 TIP3 8174 22.124 51.542 43.091 1.00 0.00 WT6 H ATOM 54612 H2 TIP3 8174 21.720 50.109 42.817 1.00 0.00 WT6 H ATOM 54613 OH2 TIP3 8193 60.713 8.319 63.902 1.00 0.00 WT6 O ATOM 54614 H1 TIP3 8193 60.239 8.202 63.079 1.00 0.00 WT6 H ATOM 54615 H2 TIP3 8193 60.532 9.223 64.158 1.00 0.00 WT6 H ATOM 54616 OH2 TIP3 8218 40.010 57.011 49.948 1.00 0.00 WT6 O ATOM 54617 H1 TIP3 8218 40.407 56.458 49.275 1.00 0.00 WT6 H ATOM 54618 H2 TIP3 8218 40.037 57.894 49.579 1.00 0.00 WT6 H ATOM 54619 OH2 TIP3 8260 78.416 65.306 50.506 1.00 0.00 WT6 O ATOM 54620 H1 TIP3 8260 78.359 64.436 50.902 1.00 0.00 WT6 H ATOM 54621 H2 TIP3 8260 78.250 65.158 49.575 1.00 0.00 WT6 H ATOM 54622 OH2 TIP3 8278 75.287 45.496 13.951 1.00 0.00 WT6 O ATOM 54623 H1 TIP3 8278 75.601 44.946 14.669 1.00 0.00 WT6 H ATOM 54624 H2 TIP3 8278 74.517 45.938 14.308 1.00 0.00 WT6 H ATOM 54625 OH2 TIP3 8383 55.546 27.017 46.869 1.00 0.00 WT6 O ATOM 54626 H1 TIP3 8383 55.158 26.178 47.118 1.00 0.00 WT6 H ATOM 54627 H2 TIP3 8383 56.336 27.085 47.407 1.00 0.00 WT6 H ATOM 54628 OH2 TIP3 8403 29.060 13.354 57.499 1.00 0.00 WT6 O ATOM 54629 H1 TIP3 8403 29.620 14.080 57.774 1.00 0.00 WT6 H ATOM 54630 H2 TIP3 8403 29.142 13.335 56.546 1.00 0.00 WT6 H ATOM 54631 OH2 TIP3 8411 44.384 2.543 21.259 1.00 0.00 WT6 O ATOM 54632 H1 TIP3 8411 44.459 2.635 22.209 1.00 0.00 WT6 H ATOM 54633 H2 TIP3 8411 43.765 1.824 21.135 1.00 0.00 WT6 H ATOM 54634 OH2 TIP3 8425 23.052 60.200 24.288 1.00 0.00 WT6 O ATOM 54635 H1 TIP3 8425 23.985 60.310 24.100 1.00 0.00 WT6 H ATOM 54636 H2 TIP3 8425 23.000 60.183 25.243 1.00 0.00 WT6 H ATOM 54637 OH2 TIP3 8466 78.821 77.107 50.690 1.00 0.00 WT6 O ATOM 54638 H1 TIP3 8466 78.722 77.702 49.947 1.00 0.00 WT6 H ATOM 54639 H2 TIP3 8466 78.851 76.235 50.296 1.00 0.00 WT6 H ATOM 54640 OH2 TIP3 8468 42.952 42.990 60.230 1.00 0.00 WT6 O ATOM 54641 H1 TIP3 8468 43.278 42.718 61.089 1.00 0.00 WT6 H ATOM 54642 H2 TIP3 8468 42.913 43.945 60.279 1.00 0.00 WT6 H ATOM 54643 OH2 TIP3 8488 74.943 45.933 67.095 1.00 0.00 WT6 O ATOM 54644 H1 TIP3 8488 75.049 46.881 67.020 1.00 0.00 WT6 H ATOM 54645 H2 TIP3 8488 75.503 45.574 66.407 1.00 0.00 WT6 H ATOM 54646 OH2 TIP3 8534 77.882 85.050 41.271 1.00 0.00 WT6 O ATOM 54647 H1 TIP3 8534 77.187 84.409 41.117 1.00 0.00 WT6 H ATOM 54648 H2 TIP3 8534 77.969 85.513 40.438 1.00 0.00 WT6 H ATOM 54649 OH2 TIP3 8536 34.230 35.839 1.475 1.00 0.00 WT6 O ATOM 54650 H1 TIP3 8536 33.989 35.324 2.245 1.00 0.00 WT6 H ATOM 54651 H2 TIP3 8536 35.023 36.306 1.736 1.00 0.00 WT6 H ATOM 54652 OH2 TIP3 8549 83.535 47.507 41.505 1.00 0.00 WT6 O ATOM 54653 H1 TIP3 8549 83.596 48.462 41.482 1.00 0.00 WT6 H ATOM 54654 H2 TIP3 8549 84.208 47.239 42.130 1.00 0.00 WT6 H ATOM 54655 OH2 TIP3 8556 35.064 11.364 57.398 1.00 0.00 WT6 O ATOM 54656 H1 TIP3 8556 35.993 11.572 57.501 1.00 0.00 WT6 H ATOM 54657 H2 TIP3 8556 34.773 11.123 58.278 1.00 0.00 WT6 H ATOM 54658 OH2 TIP3 8558 85.381 64.137 64.335 1.00 0.00 WT6 O ATOM 54659 H1 TIP3 8558 85.491 65.071 64.156 1.00 0.00 WT6 H ATOM 54660 H2 TIP3 8558 85.861 63.991 65.150 1.00 0.00 WT6 H ATOM 54661 OH2 TIP3 8574 39.685 37.389 59.796 1.00 0.00 WT6 O ATOM 54662 H1 TIP3 8574 39.023 38.075 59.712 1.00 0.00 WT6 H ATOM 54663 H2 TIP3 8574 39.716 36.978 58.932 1.00 0.00 WT6 H ATOM 54664 OH2 TIP3 8653 23.846 55.817 41.825 1.00 0.00 WT6 O ATOM 54665 H1 TIP3 8653 22.995 56.003 42.224 1.00 0.00 WT6 H ATOM 54666 H2 TIP3 8653 23.647 55.643 40.905 1.00 0.00 WT6 H ATOM 54667 OH2 TIP3 8662 90.307 55.893 52.272 1.00 0.00 WT6 O ATOM 54668 H1 TIP3 8662 90.249 55.576 53.174 1.00 0.00 WT6 H ATOM 54669 H2 TIP3 8662 90.852 56.678 52.329 1.00 0.00 WT6 H ATOM 54670 OH2 TIP3 8675 24.743 51.628 -1.286 1.00 0.00 WT6 O ATOM 54671 H1 TIP3 8675 24.862 52.331 -0.647 1.00 0.00 WT6 H ATOM 54672 H2 TIP3 8675 23.970 51.887 -1.787 1.00 0.00 WT6 H ATOM 54673 OH2 TIP3 8679 76.284 59.621 53.954 1.00 0.00 WT6 O ATOM 54674 H1 TIP3 8679 75.734 58.985 54.411 1.00 0.00 WT6 H ATOM 54675 H2 TIP3 8679 76.656 59.133 53.219 1.00 0.00 WT6 H ATOM 54676 OH2 TIP3 8683 73.463 77.626 -0.780 1.00 0.00 WT6 O ATOM 54677 H1 TIP3 8683 72.572 77.971 -0.829 1.00 0.00 WT6 H ATOM 54678 H2 TIP3 8683 73.925 78.049 -1.504 1.00 0.00 WT6 H ATOM 54679 OH2 TIP3 8691 80.463 38.491 -10.142 1.00 0.00 WT6 O ATOM 54680 H1 TIP3 8691 81.132 38.788 -9.525 1.00 0.00 WT6 H ATOM 54681 H2 TIP3 8691 79.697 39.030 -9.943 1.00 0.00 WT6 H ATOM 54682 OH2 TIP3 8695 34.663 72.626 27.712 1.00 0.00 WT6 O ATOM 54683 H1 TIP3 8695 33.866 73.061 28.014 1.00 0.00 WT6 H ATOM 54684 H2 TIP3 8695 34.870 71.997 28.403 1.00 0.00 WT6 H ATOM 54685 OH2 TIP3 8699 78.580 52.308 4.135 1.00 0.00 WT6 O ATOM 54686 H1 TIP3 8699 77.904 51.670 3.909 1.00 0.00 WT6 H ATOM 54687 H2 TIP3 8699 79.299 51.782 4.485 1.00 0.00 WT6 H ATOM 54688 OH2 TIP3 8701 22.177 67.343 23.769 1.00 0.00 WT6 O ATOM 54689 H1 TIP3 8701 22.776 66.711 23.372 1.00 0.00 WT6 H ATOM 54690 H2 TIP3 8701 21.384 66.840 23.954 1.00 0.00 WT6 H ATOM 54691 OH2 TIP3 8721 45.080 20.465 44.568 1.00 0.00 WT6 O ATOM 54692 H1 TIP3 8721 45.273 19.917 43.808 1.00 0.00 WT6 H ATOM 54693 H2 TIP3 8721 44.549 21.180 44.220 1.00 0.00 WT6 H ATOM 54694 OH2 TIP3 8722 62.899 66.135 49.278 1.00 0.00 WT6 O ATOM 54695 H1 TIP3 8722 62.029 66.338 48.932 1.00 0.00 WT6 H ATOM 54696 H2 TIP3 8722 62.768 65.350 49.809 1.00 0.00 WT6 H ATOM 54697 OH2 TIP3 8780 25.021 7.364 52.282 1.00 0.00 WT6 O ATOM 54698 H1 TIP3 8780 24.327 6.753 52.529 1.00 0.00 WT6 H ATOM 54699 H2 TIP3 8780 24.825 8.162 52.772 1.00 0.00 WT6 H ATOM 54700 OH2 TIP3 8800 31.782 96.046 -5.443 1.00 0.00 WT6 O ATOM 54701 H1 TIP3 8800 32.194 95.193 -5.585 1.00 0.00 WT6 H ATOM 54702 H2 TIP3 8800 31.176 95.901 -4.717 1.00 0.00 WT6 H ATOM 54703 OH2 TIP3 8809 88.789 36.723 22.459 1.00 0.00 WT6 O ATOM 54704 H1 TIP3 8809 88.024 36.891 21.909 1.00 0.00 WT6 H ATOM 54705 H2 TIP3 8809 88.449 36.739 23.354 1.00 0.00 WT6 H ATOM 54706 OH2 TIP3 8822 72.179 20.452 -5.279 1.00 0.00 WT6 O ATOM 54707 H1 TIP3 8822 71.715 20.226 -4.473 1.00 0.00 WT6 H ATOM 54708 H2 TIP3 8822 71.712 21.217 -5.617 1.00 0.00 WT6 H ATOM 54709 OH2 TIP3 8829 75.586 21.432 -3.805 1.00 0.00 WT6 O ATOM 54710 H1 TIP3 8829 76.350 21.548 -3.240 1.00 0.00 WT6 H ATOM 54711 H2 TIP3 8829 75.044 20.789 -3.347 1.00 0.00 WT6 H ATOM 54712 OH2 TIP3 8845 64.135 36.048 -3.807 1.00 0.00 WT6 O ATOM 54713 H1 TIP3 8845 63.741 36.059 -2.935 1.00 0.00 WT6 H ATOM 54714 H2 TIP3 8845 63.994 35.156 -4.124 1.00 0.00 WT6 H ATOM 54715 OH2 TIP3 8890 78.586 54.851 43.652 1.00 0.00 WT6 O ATOM 54716 H1 TIP3 8890 77.906 55.332 43.180 1.00 0.00 WT6 H ATOM 54717 H2 TIP3 8890 79.315 55.468 43.717 1.00 0.00 WT6 H ATOM 54718 OH2 TIP3 8927 36.778 19.385 22.081 1.00 0.00 WT6 O ATOM 54719 H1 TIP3 8927 37.558 19.597 21.569 1.00 0.00 WT6 H ATOM 54720 H2 TIP3 8927 37.101 18.833 22.793 1.00 0.00 WT6 H ATOM 54721 OH2 TIP3 8935 58.355 78.478 1.049 1.00 0.00 WT6 O ATOM 54722 H1 TIP3 8935 58.266 77.528 0.970 1.00 0.00 WT6 H ATOM 54723 H2 TIP3 8935 58.608 78.620 1.962 1.00 0.00 WT6 H ATOM 54724 OH2 TIP3 8972 73.980 41.857 30.597 1.00 0.00 WT6 O ATOM 54725 H1 TIP3 8972 74.836 41.534 30.316 1.00 0.00 WT6 H ATOM 54726 H2 TIP3 8972 73.434 41.803 29.813 1.00 0.00 WT6 H ATOM 54727 OH2 TIP3 8973 80.616 89.918 2.812 1.00 0.00 WT6 O ATOM 54728 H1 TIP3 8973 81.565 90.001 2.713 1.00 0.00 WT6 H ATOM 54729 H2 TIP3 8973 80.277 90.790 2.610 1.00 0.00 WT6 H ATOM 54730 OH2 TIP3 8977 45.884 92.640 48.368 1.00 0.00 WT6 O ATOM 54731 H1 TIP3 8977 45.503 93.492 48.153 1.00 0.00 WT6 H ATOM 54732 H2 TIP3 8977 46.522 92.829 49.056 1.00 0.00 WT6 H ATOM 54733 OH2 TIP3 8988 59.673 87.817 3.401 1.00 0.00 WT6 O ATOM 54734 H1 TIP3 8988 60.060 87.272 4.086 1.00 0.00 WT6 H ATOM 54735 H2 TIP3 8988 59.393 87.196 2.729 1.00 0.00 WT6 H ATOM 54736 OH2 TIP3 9035 78.589 51.976 43.482 1.00 0.00 WT6 O ATOM 54737 H1 TIP3 9035 77.806 51.617 43.065 1.00 0.00 WT6 H ATOM 54738 H2 TIP3 9035 78.428 52.919 43.523 1.00 0.00 WT6 H ATOM 54739 OH2 TIP3 9047 48.584 26.687 -0.285 1.00 0.00 WT6 O ATOM 54740 H1 TIP3 9047 48.368 27.314 -0.976 1.00 0.00 WT6 H ATOM 54741 H2 TIP3 9047 47.743 26.482 0.124 1.00 0.00 WT6 H ATOM 54742 OH2 TIP3 9055 42.913 13.861 1.315 1.00 0.00 WT6 O ATOM 54743 H1 TIP3 9055 42.910 13.722 0.368 1.00 0.00 WT6 H ATOM 54744 H2 TIP3 9055 42.069 13.520 1.610 1.00 0.00 WT6 H ATOM 54745 OH2 TIP3 9073 34.878 6.652 49.495 1.00 0.00 WT6 O ATOM 54746 H1 TIP3 9073 34.843 6.931 48.580 1.00 0.00 WT6 H ATOM 54747 H2 TIP3 9073 35.272 7.391 49.957 1.00 0.00 WT6 H ATOM 54748 OH2 TIP3 9096 34.104 21.021 57.720 1.00 0.00 WT6 O ATOM 54749 H1 TIP3 9096 33.610 21.822 57.546 1.00 0.00 WT6 H ATOM 54750 H2 TIP3 9096 33.951 20.841 58.648 1.00 0.00 WT6 H ATOM 54751 OH2 TIP3 9097 53.457 18.978 42.285 1.00 0.00 WT6 O ATOM 54752 H1 TIP3 9097 53.627 18.387 43.019 1.00 0.00 WT6 H ATOM 54753 H2 TIP3 9097 53.307 19.830 42.693 1.00 0.00 WT6 H ATOM 54754 OH2 TIP3 9116 72.902 71.826 35.303 1.00 0.00 WT6 O ATOM 54755 H1 TIP3 9116 73.139 72.598 34.790 1.00 0.00 WT6 H ATOM 54756 H2 TIP3 9116 71.946 71.795 35.262 1.00 0.00 WT6 H ATOM 54757 OH2 TIP3 9124 50.706 77.128 -16.676 1.00 0.00 WT6 O ATOM 54758 H1 TIP3 9124 51.139 77.637 -17.361 1.00 0.00 WT6 H ATOM 54759 H2 TIP3 9124 49.824 77.495 -16.625 1.00 0.00 WT6 H ATOM 54760 OH2 TIP3 9143 35.898 49.270 61.043 1.00 0.00 WT6 O ATOM 54761 H1 TIP3 9143 36.425 49.244 61.841 1.00 0.00 WT6 H ATOM 54762 H2 TIP3 9143 36.249 50.010 60.548 1.00 0.00 WT6 H ATOM 54763 OH2 TIP3 9144 68.444 43.774 6.789 1.00 0.00 WT6 O ATOM 54764 H1 TIP3 9144 67.716 43.226 7.082 1.00 0.00 WT6 H ATOM 54765 H2 TIP3 9144 68.111 44.220 6.010 1.00 0.00 WT6 H ATOM 54766 OH2 TIP3 9157 56.723 22.308 31.379 1.00 0.00 WT6 O ATOM 54767 H1 TIP3 9157 56.397 22.762 30.602 1.00 0.00 WT6 H ATOM 54768 H2 TIP3 9157 57.589 21.988 31.123 1.00 0.00 WT6 H ATOM 54769 OH2 TIP3 9158 34.626 57.562 53.380 1.00 0.00 WT6 O ATOM 54770 H1 TIP3 9158 34.730 57.860 52.476 1.00 0.00 WT6 H ATOM 54771 H2 TIP3 9158 33.864 58.042 53.705 1.00 0.00 WT6 H ATOM 54772 OH2 TIP3 9162 74.896 75.831 39.015 1.00 0.00 WT6 O ATOM 54773 H1 TIP3 9162 74.437 75.033 39.277 1.00 0.00 WT6 H ATOM 54774 H2 TIP3 9162 74.837 75.838 38.059 1.00 0.00 WT6 H ATOM 54775 OH2 TIP3 9183 22.642 58.706 -10.349 1.00 0.00 WT6 O ATOM 54776 H1 TIP3 9183 23.459 58.749 -9.851 1.00 0.00 WT6 H ATOM 54777 H2 TIP3 9183 22.921 58.662 -11.263 1.00 0.00 WT6 H ATOM 54778 OH2 TIP3 9184 60.467 41.924 -5.875 1.00 0.00 WT6 O ATOM 54779 H1 TIP3 9184 61.247 42.327 -6.255 1.00 0.00 WT6 H ATOM 54780 H2 TIP3 9184 60.137 42.575 -5.257 1.00 0.00 WT6 H ATOM 54781 OH2 TIP3 9198 80.337 25.977 0.703 1.00 0.00 WT6 O ATOM 54782 H1 TIP3 9198 79.503 25.677 0.343 1.00 0.00 WT6 H ATOM 54783 H2 TIP3 9198 80.140 26.834 1.082 1.00 0.00 WT6 H ATOM 54784 OH2 TIP3 9223 66.236 35.436 37.918 1.00 0.00 WT6 O ATOM 54785 H1 TIP3 9223 67.052 35.400 37.417 1.00 0.00 WT6 H ATOM 54786 H2 TIP3 9223 65.548 35.304 37.265 1.00 0.00 WT6 H ATOM 54787 OH2 TIP3 9227 86.455 81.668 -10.712 1.00 0.00 WT6 O ATOM 54788 H1 TIP3 9227 87.398 81.765 -10.581 1.00 0.00 WT6 H ATOM 54789 H2 TIP3 9227 86.225 80.874 -10.230 1.00 0.00 WT6 H ATOM 54790 OH2 TIP3 9250 44.110 31.241 51.922 1.00 0.00 WT6 O ATOM 54791 H1 TIP3 9250 44.316 31.916 51.276 1.00 0.00 WT6 H ATOM 54792 H2 TIP3 9250 43.414 30.725 51.515 1.00 0.00 WT6 H ATOM 54793 OH2 TIP3 5 87.301 59.494 67.355 1.00 0.00 WT7 O ATOM 54794 H1 TIP3 5 87.462 60.436 67.392 1.00 0.00 WT7 H ATOM 54795 H2 TIP3 5 86.965 59.342 66.471 1.00 0.00 WT7 H ATOM 54796 OH2 TIP3 8 31.637 34.952 58.786 1.00 0.00 WT7 O ATOM 54797 H1 TIP3 8 31.532 35.097 59.727 1.00 0.00 WT7 H ATOM 54798 H2 TIP3 8 32.399 34.377 58.715 1.00 0.00 WT7 H ATOM 54799 OH2 TIP3 15 43.740 75.698 -11.583 1.00 0.00 WT7 O ATOM 54800 H1 TIP3 15 43.113 76.110 -10.988 1.00 0.00 WT7 H ATOM 54801 H2 TIP3 15 43.972 74.874 -11.154 1.00 0.00 WT7 H ATOM 54802 OH2 TIP3 19 76.294 38.569 47.952 1.00 0.00 WT7 O ATOM 54803 H1 TIP3 19 77.235 38.622 47.785 1.00 0.00 WT7 H ATOM 54804 H2 TIP3 19 76.151 37.667 48.237 1.00 0.00 WT7 H ATOM 54805 OH2 TIP3 37 60.747 56.106 55.049 1.00 0.00 WT7 O ATOM 54806 H1 TIP3 37 60.478 55.742 54.205 1.00 0.00 WT7 H ATOM 54807 H2 TIP3 37 60.526 55.425 55.685 1.00 0.00 WT7 H ATOM 54808 OH2 TIP3 42 20.867 67.198 29.524 1.00 0.00 WT7 O ATOM 54809 H1 TIP3 42 21.090 68.126 29.599 1.00 0.00 WT7 H ATOM 54810 H2 TIP3 42 20.532 66.962 30.389 1.00 0.00 WT7 H ATOM 54811 OH2 TIP3 44 37.718 40.176 48.315 1.00 0.00 WT7 O ATOM 54812 H1 TIP3 44 37.034 39.810 47.754 1.00 0.00 WT7 H ATOM 54813 H2 TIP3 44 38.527 39.770 48.005 1.00 0.00 WT7 H ATOM 54814 OH2 TIP3 48 68.824 83.907 -2.530 1.00 0.00 WT7 O ATOM 54815 H1 TIP3 48 69.224 84.724 -2.826 1.00 0.00 WT7 H ATOM 54816 H2 TIP3 48 68.920 83.310 -3.273 1.00 0.00 WT7 H ATOM 54817 OH2 TIP3 52 70.356 41.089 -14.099 1.00 0.00 WT7 O ATOM 54818 H1 TIP3 52 69.579 41.190 -14.649 1.00 0.00 WT7 H ATOM 54819 H2 TIP3 52 70.531 41.970 -13.768 1.00 0.00 WT7 H ATOM 54820 OH2 TIP3 53 26.753 94.132 0.884 1.00 0.00 WT7 O ATOM 54821 H1 TIP3 53 26.956 93.738 1.733 1.00 0.00 WT7 H ATOM 54822 H2 TIP3 53 26.080 93.563 0.511 1.00 0.00 WT7 H ATOM 54823 OH2 TIP3 55 35.591 2.723 -2.600 1.00 0.00 WT7 O ATOM 54824 H1 TIP3 55 35.653 2.931 -3.532 1.00 0.00 WT7 H ATOM 54825 H2 TIP3 55 34.742 2.292 -2.506 1.00 0.00 WT7 H ATOM 54826 OH2 TIP3 61 35.550 86.985 26.183 1.00 0.00 WT7 O ATOM 54827 H1 TIP3 61 34.771 86.696 26.658 1.00 0.00 WT7 H ATOM 54828 H2 TIP3 61 35.965 86.175 25.887 1.00 0.00 WT7 H ATOM 54829 OH2 TIP3 67 25.308 57.292 50.035 1.00 0.00 WT7 O ATOM 54830 H1 TIP3 67 25.674 57.908 50.670 1.00 0.00 WT7 H ATOM 54831 H2 TIP3 67 24.362 57.431 50.085 1.00 0.00 WT7 H ATOM 54832 OH2 TIP3 78 48.577 46.452 55.173 1.00 0.00 WT7 O ATOM 54833 H1 TIP3 78 48.805 46.458 54.243 1.00 0.00 WT7 H ATOM 54834 H2 TIP3 78 48.105 47.273 55.310 1.00 0.00 WT7 H ATOM 54835 OH2 TIP3 87 79.709 75.472 60.212 1.00 0.00 WT7 O ATOM 54836 H1 TIP3 87 79.837 75.155 59.318 1.00 0.00 WT7 H ATOM 54837 H2 TIP3 87 80.570 75.390 60.622 1.00 0.00 WT7 H ATOM 54838 OH2 TIP3 94 52.701 81.979 -18.315 1.00 0.00 WT7 O ATOM 54839 H1 TIP3 94 51.753 81.869 -18.384 1.00 0.00 WT7 H ATOM 54840 H2 TIP3 94 52.870 82.022 -17.374 1.00 0.00 WT7 H ATOM 54841 OH2 TIP3 95 48.366 3.846 3.883 1.00 0.00 WT7 O ATOM 54842 H1 TIP3 95 47.579 3.346 3.666 1.00 0.00 WT7 H ATOM 54843 H2 TIP3 95 49.047 3.184 3.997 1.00 0.00 WT7 H ATOM 54844 OH2 TIP3 113 79.485 46.533 33.750 1.00 0.00 WT7 O ATOM 54845 H1 TIP3 113 79.530 45.836 33.095 1.00 0.00 WT7 H ATOM 54846 H2 TIP3 113 79.106 46.112 34.522 1.00 0.00 WT7 H ATOM 54847 OH2 TIP3 115 46.637 46.430 3.993 1.00 0.00 WT7 O ATOM 54848 H1 TIP3 115 46.944 47.117 4.585 1.00 0.00 WT7 H ATOM 54849 H2 TIP3 115 46.635 45.636 4.527 1.00 0.00 WT7 H ATOM 54850 OH2 TIP3 122 37.148 40.687 21.029 1.00 0.00 WT7 O ATOM 54851 H1 TIP3 122 38.018 40.448 21.348 1.00 0.00 WT7 H ATOM 54852 H2 TIP3 122 36.967 40.057 20.331 1.00 0.00 WT7 H ATOM 54853 OH2 TIP3 128 70.694 28.962 -4.710 1.00 0.00 WT7 O ATOM 54854 H1 TIP3 128 70.940 28.455 -3.936 1.00 0.00 WT7 H ATOM 54855 H2 TIP3 128 70.490 29.833 -4.370 1.00 0.00 WT7 H ATOM 54856 OH2 TIP3 135 72.085 85.814 -6.982 1.00 0.00 WT7 O ATOM 54857 H1 TIP3 135 71.910 86.624 -6.503 1.00 0.00 WT7 H ATOM 54858 H2 TIP3 135 72.126 86.083 -7.900 1.00 0.00 WT7 H ATOM 54859 OH2 TIP3 137 77.127 84.474 38.049 1.00 0.00 WT7 O ATOM 54860 H1 TIP3 137 76.815 85.299 37.677 1.00 0.00 WT7 H ATOM 54861 H2 TIP3 137 78.058 84.622 38.214 1.00 0.00 WT7 H ATOM 54862 OH2 TIP3 149 40.009 70.101 -15.799 1.00 0.00 WT7 O ATOM 54863 H1 TIP3 149 40.074 69.543 -16.574 1.00 0.00 WT7 H ATOM 54864 H2 TIP3 149 40.109 69.500 -15.061 1.00 0.00 WT7 H ATOM 54865 OH2 TIP3 150 70.865 5.222 -0.999 1.00 0.00 WT7 O ATOM 54866 H1 TIP3 150 70.284 5.816 -0.524 1.00 0.00 WT7 H ATOM 54867 H2 TIP3 150 71.719 5.336 -0.580 1.00 0.00 WT7 H ATOM 54868 OH2 TIP3 153 45.031 65.561 -8.247 1.00 0.00 WT7 O ATOM 54869 H1 TIP3 153 44.875 65.321 -7.333 1.00 0.00 WT7 H ATOM 54870 H2 TIP3 153 44.607 66.413 -8.347 1.00 0.00 WT7 H ATOM 54871 OH2 TIP3 155 46.162 61.234 5.968 1.00 0.00 WT7 O ATOM 54872 H1 TIP3 155 47.044 60.867 6.014 1.00 0.00 WT7 H ATOM 54873 H2 TIP3 155 46.254 62.123 6.311 1.00 0.00 WT7 H ATOM 54874 OH2 TIP3 165 38.446 45.081 15.832 1.00 0.00 WT7 O ATOM 54875 H1 TIP3 165 39.306 45.498 15.782 1.00 0.00 WT7 H ATOM 54876 H2 TIP3 165 38.311 44.705 14.962 1.00 0.00 WT7 H ATOM 54877 OH2 TIP3 167 49.349 96.116 -6.608 1.00 0.00 WT7 O ATOM 54878 H1 TIP3 167 49.312 95.444 -5.927 1.00 0.00 WT7 H ATOM 54879 H2 TIP3 167 48.706 95.834 -7.259 1.00 0.00 WT7 H ATOM 54880 OH2 TIP3 175 77.881 45.264 21.136 1.00 0.00 WT7 O ATOM 54881 H1 TIP3 175 78.399 44.876 21.841 1.00 0.00 WT7 H ATOM 54882 H2 TIP3 175 77.969 46.209 21.265 1.00 0.00 WT7 H ATOM 54883 OH2 TIP3 177 31.413 79.125 7.070 1.00 0.00 WT7 O ATOM 54884 H1 TIP3 177 31.995 78.606 7.627 1.00 0.00 WT7 H ATOM 54885 H2 TIP3 177 31.545 78.772 6.191 1.00 0.00 WT7 H ATOM 54886 OH2 TIP3 201 46.398 90.801 56.118 1.00 0.00 WT7 O ATOM 54887 H1 TIP3 201 45.904 91.028 55.330 1.00 0.00 WT7 H ATOM 54888 H2 TIP3 201 46.072 89.935 56.365 1.00 0.00 WT7 H ATOM 54889 OH2 TIP3 225 26.670 69.477 23.868 1.00 0.00 WT7 O ATOM 54890 H1 TIP3 225 26.927 68.993 23.083 1.00 0.00 WT7 H ATOM 54891 H2 TIP3 225 27.478 69.562 24.374 1.00 0.00 WT7 H ATOM 54892 OH2 TIP3 234 31.553 37.530 41.581 1.00 0.00 WT7 O ATOM 54893 H1 TIP3 234 31.669 37.731 40.652 1.00 0.00 WT7 H ATOM 54894 H2 TIP3 234 32.064 38.199 42.037 1.00 0.00 WT7 H ATOM 54895 OH2 TIP3 237 89.208 5.468 2.602 1.00 0.00 WT7 O ATOM 54896 H1 TIP3 237 89.007 6.243 3.126 1.00 0.00 WT7 H ATOM 54897 H2 TIP3 237 89.147 5.768 1.695 1.00 0.00 WT7 H ATOM 54898 OH2 TIP3 261 23.455 31.797 -4.565 1.00 0.00 WT7 O ATOM 54899 H1 TIP3 261 23.428 31.965 -3.623 1.00 0.00 WT7 H ATOM 54900 H2 TIP3 261 23.044 32.567 -4.958 1.00 0.00 WT7 H ATOM 54901 OH2 TIP3 268 26.645 85.793 19.104 1.00 0.00 WT7 O ATOM 54902 H1 TIP3 268 26.176 85.153 19.640 1.00 0.00 WT7 H ATOM 54903 H2 TIP3 268 26.850 85.324 18.295 1.00 0.00 WT7 H ATOM 54904 OH2 TIP3 313 68.109 34.952 66.320 1.00 0.00 WT7 O ATOM 54905 H1 TIP3 313 68.781 34.914 67.001 1.00 0.00 WT7 H ATOM 54906 H2 TIP3 313 67.763 34.060 66.275 1.00 0.00 WT7 H ATOM 54907 OH2 TIP3 379 50.935 10.792 6.854 1.00 0.00 WT7 O ATOM 54908 H1 TIP3 379 50.344 10.870 7.603 1.00 0.00 WT7 H ATOM 54909 H2 TIP3 379 50.632 10.011 6.390 1.00 0.00 WT7 H ATOM 54910 OH2 TIP3 400 43.854 54.369 61.517 1.00 0.00 WT7 O ATOM 54911 H1 TIP3 400 43.240 54.045 62.176 1.00 0.00 WT7 H ATOM 54912 H2 TIP3 400 43.961 55.297 61.724 1.00 0.00 WT7 H ATOM 54913 OH2 TIP3 417 60.917 65.482 46.184 1.00 0.00 WT7 O ATOM 54914 H1 TIP3 417 60.062 65.347 45.776 1.00 0.00 WT7 H ATOM 54915 H2 TIP3 417 61.536 65.055 45.592 1.00 0.00 WT7 H ATOM 54916 OH2 TIP3 449 87.882 26.601 -14.548 1.00 0.00 WT7 O ATOM 54917 H1 TIP3 449 87.266 27.211 -14.143 1.00 0.00 WT7 H ATOM 54918 H2 TIP3 449 87.690 25.758 -14.137 1.00 0.00 WT7 H ATOM 54919 OH2 TIP3 462 80.829 63.891 33.316 1.00 0.00 WT7 O ATOM 54920 H1 TIP3 462 80.321 64.254 32.590 1.00 0.00 WT7 H ATOM 54921 H2 TIP3 462 81.362 64.623 33.626 1.00 0.00 WT7 H ATOM 54922 OH2 TIP3 463 23.021 75.229 -8.020 1.00 0.00 WT7 O ATOM 54923 H1 TIP3 463 23.332 76.102 -8.257 1.00 0.00 WT7 H ATOM 54924 H2 TIP3 463 22.358 75.385 -7.347 1.00 0.00 WT7 H ATOM 54925 OH2 TIP3 485 64.764 90.108 -8.458 1.00 0.00 WT7 O ATOM 54926 H1 TIP3 485 64.608 90.586 -9.273 1.00 0.00 WT7 H ATOM 54927 H2 TIP3 485 63.989 90.284 -7.925 1.00 0.00 WT7 H ATOM 54928 OH2 TIP3 486 43.051 47.092 -16.140 1.00 0.00 WT7 O ATOM 54929 H1 TIP3 486 43.544 47.037 -16.959 1.00 0.00 WT7 H ATOM 54930 H2 TIP3 486 43.089 48.018 -15.900 1.00 0.00 WT7 H ATOM 54931 OH2 TIP3 489 58.418 81.773 26.284 1.00 0.00 WT7 O ATOM 54932 H1 TIP3 489 57.561 82.189 26.183 1.00 0.00 WT7 H ATOM 54933 H2 TIP3 489 58.357 81.296 27.111 1.00 0.00 WT7 H ATOM 54934 OH2 TIP3 490 79.114 77.723 37.192 1.00 0.00 WT7 O ATOM 54935 H1 TIP3 490 80.053 77.623 37.040 1.00 0.00 WT7 H ATOM 54936 H2 TIP3 490 78.714 76.999 36.709 1.00 0.00 WT7 H ATOM 54937 OH2 TIP3 491 77.876 48.427 2.129 1.00 0.00 WT7 O ATOM 54938 H1 TIP3 491 78.534 48.786 1.534 1.00 0.00 WT7 H ATOM 54939 H2 TIP3 491 77.460 49.196 2.519 1.00 0.00 WT7 H ATOM 54940 OH2 TIP3 494 77.612 79.502 16.189 1.00 0.00 WT7 O ATOM 54941 H1 TIP3 494 77.720 79.504 17.140 1.00 0.00 WT7 H ATOM 54942 H2 TIP3 494 78.442 79.841 15.853 1.00 0.00 WT7 H ATOM 54943 OH2 TIP3 501 48.657 -0.185 19.663 1.00 0.00 WT7 O ATOM 54944 H1 TIP3 501 49.421 0.167 19.206 1.00 0.00 WT7 H ATOM 54945 H2 TIP3 501 48.126 0.584 19.871 1.00 0.00 WT7 H ATOM 54946 OH2 TIP3 502 22.893 51.443 46.186 1.00 0.00 WT7 O ATOM 54947 H1 TIP3 502 23.382 50.783 46.677 1.00 0.00 WT7 H ATOM 54948 H2 TIP3 502 22.770 51.054 45.320 1.00 0.00 WT7 H ATOM 54949 OH2 TIP3 503 24.591 37.608 18.090 1.00 0.00 WT7 O ATOM 54950 H1 TIP3 503 23.973 37.087 18.603 1.00 0.00 WT7 H ATOM 54951 H2 TIP3 503 24.349 38.516 18.273 1.00 0.00 WT7 H ATOM 54952 OH2 TIP3 506 57.390 38.238 53.799 1.00 0.00 WT7 O ATOM 54953 H1 TIP3 506 57.150 39.083 53.419 1.00 0.00 WT7 H ATOM 54954 H2 TIP3 506 57.266 38.354 54.741 1.00 0.00 WT7 H ATOM 54955 OH2 TIP3 509 28.110 23.871 -11.642 1.00 0.00 WT7 O ATOM 54956 H1 TIP3 509 28.803 23.542 -12.215 1.00 0.00 WT7 H ATOM 54957 H2 TIP3 509 28.545 24.020 -10.802 1.00 0.00 WT7 H ATOM 54958 OH2 TIP3 511 71.916 11.787 0.174 1.00 0.00 WT7 O ATOM 54959 H1 TIP3 511 71.017 12.027 -0.050 1.00 0.00 WT7 H ATOM 54960 H2 TIP3 511 71.984 10.862 -0.065 1.00 0.00 WT7 H ATOM 54961 OH2 TIP3 515 30.640 70.302 -16.296 1.00 0.00 WT7 O ATOM 54962 H1 TIP3 515 30.222 69.754 -16.959 1.00 0.00 WT7 H ATOM 54963 H2 TIP3 515 30.026 70.300 -15.561 1.00 0.00 WT7 H ATOM 54964 OH2 TIP3 516 29.546 48.394 24.773 1.00 0.00 WT7 O ATOM 54965 H1 TIP3 516 29.902 47.999 25.569 1.00 0.00 WT7 H ATOM 54966 H2 TIP3 516 29.761 49.324 24.849 1.00 0.00 WT7 H ATOM 54967 OH2 TIP3 520 68.342 57.381 60.597 1.00 0.00 WT7 O ATOM 54968 H1 TIP3 520 68.034 58.283 60.679 1.00 0.00 WT7 H ATOM 54969 H2 TIP3 520 67.921 57.055 59.802 1.00 0.00 WT7 H ATOM 54970 OH2 TIP3 526 68.163 0.485 -17.633 1.00 0.00 WT7 O ATOM 54971 H1 TIP3 526 67.535 0.594 -16.919 1.00 0.00 WT7 H ATOM 54972 H2 TIP3 526 68.691 1.283 -17.613 1.00 0.00 WT7 H ATOM 54973 OH2 TIP3 540 64.759 41.959 -11.551 1.00 0.00 WT7 O ATOM 54974 H1 TIP3 540 63.873 41.602 -11.494 1.00 0.00 WT7 H ATOM 54975 H2 TIP3 540 65.219 41.579 -10.803 1.00 0.00 WT7 H ATOM 54976 OH2 TIP3 541 79.151 89.062 -17.186 1.00 0.00 WT7 O ATOM 54977 H1 TIP3 541 78.508 89.470 -17.766 1.00 0.00 WT7 H ATOM 54978 H2 TIP3 541 79.863 89.700 -17.130 1.00 0.00 WT7 H ATOM 54979 OH2 TIP3 548 70.445 75.507 -11.879 1.00 0.00 WT7 O ATOM 54980 H1 TIP3 548 69.953 75.884 -12.609 1.00 0.00 WT7 H ATOM 54981 H2 TIP3 548 69.981 74.696 -11.672 1.00 0.00 WT7 H ATOM 54982 OH2 TIP3 550 23.394 44.842 -2.176 1.00 0.00 WT7 O ATOM 54983 H1 TIP3 550 23.801 44.177 -1.620 1.00 0.00 WT7 H ATOM 54984 H2 TIP3 550 22.567 45.046 -1.739 1.00 0.00 WT7 H ATOM 54985 OH2 TIP3 551 86.577 77.641 62.863 1.00 0.00 WT7 O ATOM 54986 H1 TIP3 551 86.470 76.788 62.443 1.00 0.00 WT7 H ATOM 54987 H2 TIP3 551 86.064 78.242 62.322 1.00 0.00 WT7 H ATOM 54988 OH2 TIP3 555 64.863 46.360 26.733 1.00 0.00 WT7 O ATOM 54989 H1 TIP3 555 64.352 47.132 26.488 1.00 0.00 WT7 H ATOM 54990 H2 TIP3 555 64.507 46.097 27.582 1.00 0.00 WT7 H ATOM 54991 OH2 TIP3 556 30.081 76.961 -12.581 1.00 0.00 WT7 O ATOM 54992 H1 TIP3 556 30.290 77.886 -12.449 1.00 0.00 WT7 H ATOM 54993 H2 TIP3 556 30.392 76.529 -11.785 1.00 0.00 WT7 H ATOM 54994 OH2 TIP3 562 65.305 9.302 64.958 1.00 0.00 WT7 O ATOM 54995 H1 TIP3 562 64.867 8.531 64.597 1.00 0.00 WT7 H ATOM 54996 H2 TIP3 562 65.034 9.324 65.876 1.00 0.00 WT7 H ATOM 54997 OH2 TIP3 564 85.045 62.100 39.887 1.00 0.00 WT7 O ATOM 54998 H1 TIP3 564 85.016 62.316 38.955 1.00 0.00 WT7 H ATOM 54999 H2 TIP3 564 85.257 62.928 40.318 1.00 0.00 WT7 H ATOM 55000 OH2 TIP3 573 38.287 2.969 -3.695 1.00 0.00 WT7 O ATOM 55001 H1 TIP3 573 37.485 2.798 -3.202 1.00 0.00 WT7 H ATOM 55002 H2 TIP3 573 38.913 2.324 -3.365 1.00 0.00 WT7 H ATOM 55003 OH2 TIP3 575 74.769 78.278 28.167 1.00 0.00 WT7 O ATOM 55004 H1 TIP3 575 75.035 77.919 29.013 1.00 0.00 WT7 H ATOM 55005 H2 TIP3 575 73.868 78.573 28.304 1.00 0.00 WT7 H ATOM 55006 OH2 TIP3 576 57.946 1.546 35.015 1.00 0.00 WT7 O ATOM 55007 H1 TIP3 576 57.769 0.608 35.081 1.00 0.00 WT7 H ATOM 55008 H2 TIP3 576 58.390 1.647 34.173 1.00 0.00 WT7 H ATOM 55009 OH2 TIP3 578 57.650 96.550 19.201 1.00 0.00 WT7 O ATOM 55010 H1 TIP3 578 57.550 95.738 19.699 1.00 0.00 WT7 H ATOM 55011 H2 TIP3 578 57.026 97.155 19.602 1.00 0.00 WT7 H ATOM 55012 OH2 TIP3 584 45.480 68.876 0.585 1.00 0.00 WT7 O ATOM 55013 H1 TIP3 584 46.049 69.253 1.256 1.00 0.00 WT7 H ATOM 55014 H2 TIP3 584 45.842 68.003 0.427 1.00 0.00 WT7 H ATOM 55015 OH2 TIP3 586 56.516 89.673 -2.919 1.00 0.00 WT7 O ATOM 55016 H1 TIP3 586 55.827 89.071 -3.202 1.00 0.00 WT7 H ATOM 55017 H2 TIP3 586 56.087 90.528 -2.884 1.00 0.00 WT7 H ATOM 55018 OH2 TIP3 591 24.322 37.689 2.930 1.00 0.00 WT7 O ATOM 55019 H1 TIP3 591 25.106 37.805 2.393 1.00 0.00 WT7 H ATOM 55020 H2 TIP3 591 23.613 37.577 2.297 1.00 0.00 WT7 H ATOM 55021 OH2 TIP3 593 69.255 85.555 15.075 1.00 0.00 WT7 O ATOM 55022 H1 TIP3 593 69.680 85.559 14.217 1.00 0.00 WT7 H ATOM 55023 H2 TIP3 593 68.479 86.104 14.961 1.00 0.00 WT7 H ATOM 55024 OH2 TIP3 594 29.456 43.586 36.707 1.00 0.00 WT7 O ATOM 55025 H1 TIP3 594 29.472 43.997 37.572 1.00 0.00 WT7 H ATOM 55026 H2 TIP3 594 30.333 43.737 36.354 1.00 0.00 WT7 H ATOM 55027 OH2 TIP3 599 47.908 51.298 56.948 1.00 0.00 WT7 O ATOM 55028 H1 TIP3 599 48.312 50.441 57.083 1.00 0.00 WT7 H ATOM 55029 H2 TIP3 599 48.587 51.818 56.517 1.00 0.00 WT7 H ATOM 55030 OH2 TIP3 602 63.639 69.744 55.160 1.00 0.00 WT7 O ATOM 55031 H1 TIP3 602 63.193 70.040 54.367 1.00 0.00 WT7 H ATOM 55032 H2 TIP3 602 64.571 69.843 54.963 1.00 0.00 WT7 H ATOM 55033 OH2 TIP3 606 30.978 58.584 2.907 1.00 0.00 WT7 O ATOM 55034 H1 TIP3 606 30.862 57.635 2.954 1.00 0.00 WT7 H ATOM 55035 H2 TIP3 606 30.678 58.819 2.029 1.00 0.00 WT7 H ATOM 55036 OH2 TIP3 626 89.779 64.998 67.427 1.00 0.00 WT7 O ATOM 55037 H1 TIP3 626 89.164 65.294 66.755 1.00 0.00 WT7 H ATOM 55038 H2 TIP3 626 90.640 65.086 67.019 1.00 0.00 WT7 H ATOM 55039 OH2 TIP3 638 21.835 18.715 -7.975 1.00 0.00 WT7 O ATOM 55040 H1 TIP3 638 22.289 18.945 -7.164 1.00 0.00 WT7 H ATOM 55041 H2 TIP3 638 22.500 18.279 -8.507 1.00 0.00 WT7 H ATOM 55042 OH2 TIP3 639 81.216 47.786 10.942 1.00 0.00 WT7 O ATOM 55043 H1 TIP3 639 81.580 48.128 10.125 1.00 0.00 WT7 H ATOM 55044 H2 TIP3 639 81.946 47.813 11.560 1.00 0.00 WT7 H ATOM 55045 OH2 TIP3 649 43.273 84.846 29.959 1.00 0.00 WT7 O ATOM 55046 H1 TIP3 649 42.583 84.678 29.317 1.00 0.00 WT7 H ATOM 55047 H2 TIP3 649 43.209 85.784 30.140 1.00 0.00 WT7 H ATOM 55048 OH2 TIP3 650 74.886 0.753 56.056 1.00 0.00 WT7 O ATOM 55049 H1 TIP3 650 74.759 1.440 56.711 1.00 0.00 WT7 H ATOM 55050 H2 TIP3 650 74.000 0.511 55.787 1.00 0.00 WT7 H ATOM 55051 OH2 TIP3 662 45.212 56.637 -11.123 1.00 0.00 WT7 O ATOM 55052 H1 TIP3 662 44.859 56.594 -10.235 1.00 0.00 WT7 H ATOM 55053 H2 TIP3 662 45.999 57.176 -11.043 1.00 0.00 WT7 H ATOM 55054 OH2 TIP3 666 44.129 26.670 66.021 1.00 0.00 WT7 O ATOM 55055 H1 TIP3 666 44.891 27.182 66.290 1.00 0.00 WT7 H ATOM 55056 H2 TIP3 666 43.803 26.279 66.832 1.00 0.00 WT7 H ATOM 55057 OH2 TIP3 668 24.303 68.942 62.092 1.00 0.00 WT7 O ATOM 55058 H1 TIP3 668 25.011 69.534 62.343 1.00 0.00 WT7 H ATOM 55059 H2 TIP3 668 24.603 68.543 61.275 1.00 0.00 WT7 H ATOM 55060 OH2 TIP3 711 82.128 95.408 -5.845 1.00 0.00 WT7 O ATOM 55061 H1 TIP3 711 82.122 94.939 -5.011 1.00 0.00 WT7 H ATOM 55062 H2 TIP3 711 82.151 96.334 -5.600 1.00 0.00 WT7 H ATOM 55063 OH2 TIP3 822 72.242 65.592 14.667 1.00 0.00 WT7 O ATOM 55064 H1 TIP3 822 72.876 65.366 13.987 1.00 0.00 WT7 H ATOM 55065 H2 TIP3 822 72.187 64.809 15.215 1.00 0.00 WT7 H ATOM 55066 OH2 TIP3 836 48.422 3.476 47.736 1.00 0.00 WT7 O ATOM 55067 H1 TIP3 836 47.526 3.191 47.918 1.00 0.00 WT7 H ATOM 55068 H2 TIP3 836 48.952 3.044 48.407 1.00 0.00 WT7 H ATOM 55069 OH2 TIP3 852 39.691 61.039 58.572 1.00 0.00 WT7 O ATOM 55070 H1 TIP3 852 39.502 61.974 58.490 1.00 0.00 WT7 H ATOM 55071 H2 TIP3 852 39.262 60.640 57.815 1.00 0.00 WT7 H ATOM 55072 OH2 TIP3 854 63.922 0.327 26.954 1.00 0.00 WT7 O ATOM 55073 H1 TIP3 854 63.145 0.273 27.510 1.00 0.00 WT7 H ATOM 55074 H2 TIP3 854 63.663 0.901 26.234 1.00 0.00 WT7 H ATOM 55075 OH2 TIP3 860 47.119 72.200 34.043 1.00 0.00 WT7 O ATOM 55076 H1 TIP3 860 47.292 73.138 34.122 1.00 0.00 WT7 H ATOM 55077 H2 TIP3 860 47.985 71.792 34.081 1.00 0.00 WT7 H ATOM 55078 OH2 TIP3 889 76.522 79.484 -4.752 1.00 0.00 WT7 O ATOM 55079 H1 TIP3 889 76.537 80.224 -4.145 1.00 0.00 WT7 H ATOM 55080 H2 TIP3 889 77.442 79.336 -4.972 1.00 0.00 WT7 H ATOM 55081 OH2 TIP3 892 30.340 12.860 -5.563 1.00 0.00 WT7 O ATOM 55082 H1 TIP3 892 29.438 12.797 -5.878 1.00 0.00 WT7 H ATOM 55083 H2 TIP3 892 30.632 11.952 -5.487 1.00 0.00 WT7 H ATOM 55084 OH2 TIP3 895 30.588 86.096 30.199 1.00 0.00 WT7 O ATOM 55085 H1 TIP3 895 30.458 85.148 30.231 1.00 0.00 WT7 H ATOM 55086 H2 TIP3 895 31.386 86.246 30.706 1.00 0.00 WT7 H ATOM 55087 OH2 TIP3 908 46.717 70.158 -17.702 1.00 0.00 WT7 O ATOM 55088 H1 TIP3 908 45.795 70.000 -17.501 1.00 0.00 WT7 H ATOM 55089 H2 TIP3 908 47.065 70.585 -16.919 1.00 0.00 WT7 H ATOM 55090 OH2 TIP3 919 66.968 88.993 29.172 1.00 0.00 WT7 O ATOM 55091 H1 TIP3 919 66.185 88.573 29.529 1.00 0.00 WT7 H ATOM 55092 H2 TIP3 919 67.623 88.907 29.865 1.00 0.00 WT7 H ATOM 55093 OH2 TIP3 928 74.227 58.577 -17.855 1.00 0.00 WT7 O ATOM 55094 H1 TIP3 928 74.756 59.292 -18.209 1.00 0.00 WT7 H ATOM 55095 H2 TIP3 928 73.617 59.004 -17.255 1.00 0.00 WT7 H ATOM 55096 OH2 TIP3 930 21.740 96.077 -9.018 1.00 0.00 WT7 O ATOM 55097 H1 TIP3 930 22.342 96.734 -8.669 1.00 0.00 WT7 H ATOM 55098 H2 TIP3 930 21.081 95.967 -8.332 1.00 0.00 WT7 H ATOM 55099 OH2 TIP3 933 75.472 58.503 13.458 1.00 0.00 WT7 O ATOM 55100 H1 TIP3 933 75.123 57.870 14.085 1.00 0.00 WT7 H ATOM 55101 H2 TIP3 933 75.032 59.325 13.675 1.00 0.00 WT7 H ATOM 55102 OH2 TIP3 936 39.047 85.046 12.258 1.00 0.00 WT7 O ATOM 55103 H1 TIP3 936 38.106 84.894 12.169 1.00 0.00 WT7 H ATOM 55104 H2 TIP3 936 39.366 85.116 11.358 1.00 0.00 WT7 H ATOM 55105 OH2 TIP3 940 54.333 -0.192 16.042 1.00 0.00 WT7 O ATOM 55106 H1 TIP3 940 54.314 0.314 16.854 1.00 0.00 WT7 H ATOM 55107 H2 TIP3 940 54.221 0.460 15.350 1.00 0.00 WT7 H ATOM 55108 OH2 TIP3 944 64.466 16.325 39.992 1.00 0.00 WT7 O ATOM 55109 H1 TIP3 944 65.288 15.871 39.805 1.00 0.00 WT7 H ATOM 55110 H2 TIP3 944 64.465 17.074 39.396 1.00 0.00 WT7 H ATOM 55111 OH2 TIP3 954 23.945 5.199 7.556 1.00 0.00 WT7 O ATOM 55112 H1 TIP3 954 24.089 4.282 7.789 1.00 0.00 WT7 H ATOM 55113 H2 TIP3 954 23.575 5.593 8.345 1.00 0.00 WT7 H ATOM 55114 OH2 TIP3 958 41.797 68.496 26.715 1.00 0.00 WT7 O ATOM 55115 H1 TIP3 958 41.446 68.585 25.829 1.00 0.00 WT7 H ATOM 55116 H2 TIP3 958 42.605 69.009 26.706 1.00 0.00 WT7 H ATOM 55117 OH2 TIP3 960 58.541 61.142 32.918 1.00 0.00 WT7 O ATOM 55118 H1 TIP3 960 57.654 60.788 32.977 1.00 0.00 WT7 H ATOM 55119 H2 TIP3 960 58.506 61.758 32.187 1.00 0.00 WT7 H ATOM 55120 OH2 TIP3 978 57.856 23.269 23.260 1.00 0.00 WT7 O ATOM 55121 H1 TIP3 978 56.935 23.525 23.206 1.00 0.00 WT7 H ATOM 55122 H2 TIP3 978 58.328 23.974 22.817 1.00 0.00 WT7 H ATOM 55123 OH2 TIP3 981 89.284 49.726 35.095 1.00 0.00 WT7 O ATOM 55124 H1 TIP3 981 89.549 50.230 34.325 1.00 0.00 WT7 H ATOM 55125 H2 TIP3 981 88.577 49.162 34.780 1.00 0.00 WT7 H ATOM 55126 OH2 TIP3 982 49.744 46.898 49.680 1.00 0.00 WT7 O ATOM 55127 H1 TIP3 982 48.850 47.219 49.562 1.00 0.00 WT7 H ATOM 55128 H2 TIP3 982 49.999 46.574 48.816 1.00 0.00 WT7 H ATOM 55129 OH2 TIP3 983 87.562 85.111 47.002 1.00 0.00 WT7 O ATOM 55130 H1 TIP3 983 87.123 85.880 47.366 1.00 0.00 WT7 H ATOM 55131 H2 TIP3 983 86.881 84.660 46.503 1.00 0.00 WT7 H ATOM 55132 OH2 TIP3 986 42.517 90.559 28.610 1.00 0.00 WT7 O ATOM 55133 H1 TIP3 986 43.103 89.810 28.717 1.00 0.00 WT7 H ATOM 55134 H2 TIP3 986 42.842 91.010 27.831 1.00 0.00 WT7 H ATOM 55135 OH2 TIP3 993 31.999 14.580 36.239 1.00 0.00 WT7 O ATOM 55136 H1 TIP3 993 32.035 14.941 37.124 1.00 0.00 WT7 H ATOM 55137 H2 TIP3 993 32.227 13.657 36.347 1.00 0.00 WT7 H ATOM 55138 OH2 TIP3 999 59.222 11.569 8.678 1.00 0.00 WT7 O ATOM 55139 H1 TIP3 999 58.397 12.011 8.474 1.00 0.00 WT7 H ATOM 55140 H2 TIP3 999 59.004 10.637 8.667 1.00 0.00 WT7 H ATOM 55141 OH2 TIP3 1013 72.472 13.759 -11.178 1.00 0.00 WT7 O ATOM 55142 H1 TIP3 1013 71.607 13.916 -10.800 1.00 0.00 WT7 H ATOM 55143 H2 TIP3 1013 72.893 14.618 -11.181 1.00 0.00 WT7 H ATOM 55144 OH2 TIP3 1018 27.313 5.093 10.769 1.00 0.00 WT7 O ATOM 55145 H1 TIP3 1018 27.406 4.185 10.482 1.00 0.00 WT7 H ATOM 55146 H2 TIP3 1018 28.170 5.319 11.131 1.00 0.00 WT7 H ATOM 55147 OH2 TIP3 1019 65.096 52.655 17.081 1.00 0.00 WT7 O ATOM 55148 H1 TIP3 1019 65.098 51.730 17.327 1.00 0.00 WT7 H ATOM 55149 H2 TIP3 1019 64.196 52.942 17.233 1.00 0.00 WT7 H ATOM 55150 OH2 TIP3 1024 56.405 81.532 3.884 1.00 0.00 WT7 O ATOM 55151 H1 TIP3 1024 55.657 82.085 3.659 1.00 0.00 WT7 H ATOM 55152 H2 TIP3 1024 56.077 80.952 4.571 1.00 0.00 WT7 H ATOM 55153 OH2 TIP3 1025 76.248 19.680 52.741 1.00 0.00 WT7 O ATOM 55154 H1 TIP3 1025 76.433 18.916 52.194 1.00 0.00 WT7 H ATOM 55155 H2 TIP3 1025 76.031 20.374 52.118 1.00 0.00 WT7 H ATOM 55156 OH2 TIP3 1043 32.846 58.035 -8.411 1.00 0.00 WT7 O ATOM 55157 H1 TIP3 1043 32.683 57.187 -8.824 1.00 0.00 WT7 H ATOM 55158 H2 TIP3 1043 32.747 57.868 -7.474 1.00 0.00 WT7 H ATOM 55159 OH2 TIP3 1048 37.410 3.867 36.874 1.00 0.00 WT7 O ATOM 55160 H1 TIP3 1048 37.114 3.238 37.532 1.00 0.00 WT7 H ATOM 55161 H2 TIP3 1048 37.342 3.397 36.044 1.00 0.00 WT7 H ATOM 55162 OH2 TIP3 1052 66.374 76.319 8.243 1.00 0.00 WT7 O ATOM 55163 H1 TIP3 1052 66.612 75.423 8.479 1.00 0.00 WT7 H ATOM 55164 H2 TIP3 1052 65.434 76.371 8.415 1.00 0.00 WT7 H ATOM 55165 OH2 TIP3 1061 53.093 1.217 2.980 1.00 0.00 WT7 O ATOM 55166 H1 TIP3 1061 54.006 1.310 2.709 1.00 0.00 WT7 H ATOM 55167 H2 TIP3 1061 53.142 0.863 3.868 1.00 0.00 WT7 H ATOM 55168 OH2 TIP3 1071 54.546 45.370 -4.038 1.00 0.00 WT7 O ATOM 55169 H1 TIP3 1071 54.645 44.653 -3.411 1.00 0.00 WT7 H ATOM 55170 H2 TIP3 1071 55.378 45.842 -3.996 1.00 0.00 WT7 H ATOM 55171 OH2 TIP3 1076 29.398 81.093 10.096 1.00 0.00 WT7 O ATOM 55172 H1 TIP3 1076 29.021 81.808 10.609 1.00 0.00 WT7 H ATOM 55173 H2 TIP3 1076 30.310 81.047 10.384 1.00 0.00 WT7 H ATOM 55174 OH2 TIP3 1098 66.364 11.320 40.683 1.00 0.00 WT7 O ATOM 55175 H1 TIP3 1098 66.780 11.777 41.414 1.00 0.00 WT7 H ATOM 55176 H2 TIP3 1098 65.533 11.776 40.556 1.00 0.00 WT7 H ATOM 55177 OH2 TIP3 1122 35.495 29.006 42.554 1.00 0.00 WT7 O ATOM 55178 H1 TIP3 1122 35.238 28.087 42.627 1.00 0.00 WT7 H ATOM 55179 H2 TIP3 1122 36.452 28.988 42.543 1.00 0.00 WT7 H ATOM 55180 OH2 TIP3 1138 82.110 88.078 -1.025 1.00 0.00 WT7 O ATOM 55181 H1 TIP3 1138 82.464 88.965 -0.960 1.00 0.00 WT7 H ATOM 55182 H2 TIP3 1138 81.914 87.966 -1.956 1.00 0.00 WT7 H ATOM 55183 OH2 TIP3 1253 88.994 61.426 17.496 1.00 0.00 WT7 O ATOM 55184 H1 TIP3 1253 89.852 61.776 17.257 1.00 0.00 WT7 H ATOM 55185 H2 TIP3 1253 88.378 61.891 16.930 1.00 0.00 WT7 H ATOM 55186 OH2 TIP3 1298 59.377 48.754 50.740 1.00 0.00 WT7 O ATOM 55187 H1 TIP3 1298 58.699 48.101 50.912 1.00 0.00 WT7 H ATOM 55188 H2 TIP3 1298 59.896 48.779 51.544 1.00 0.00 WT7 H ATOM 55189 OH2 TIP3 1301 34.705 69.291 61.426 1.00 0.00 WT7 O ATOM 55190 H1 TIP3 1301 34.108 68.597 61.150 1.00 0.00 WT7 H ATOM 55191 H2 TIP3 1301 34.305 69.651 62.218 1.00 0.00 WT7 H ATOM 55192 OH2 TIP3 1354 68.093 -0.075 66.755 1.00 0.00 WT7 O ATOM 55193 H1 TIP3 1354 68.657 0.485 66.221 1.00 0.00 WT7 H ATOM 55194 H2 TIP3 1354 68.079 0.347 67.614 1.00 0.00 WT7 H ATOM 55195 OH2 TIP3 1370 55.551 94.736 21.763 1.00 0.00 WT7 O ATOM 55196 H1 TIP3 1370 55.327 94.025 22.365 1.00 0.00 WT7 H ATOM 55197 H2 TIP3 1370 55.589 94.318 20.903 1.00 0.00 WT7 H ATOM 55198 OH2 TIP3 1381 83.126 59.959 59.759 1.00 0.00 WT7 O ATOM 55199 H1 TIP3 1381 82.313 60.398 59.507 1.00 0.00 WT7 H ATOM 55200 H2 TIP3 1381 83.304 60.276 60.645 1.00 0.00 WT7 H ATOM 55201 OH2 TIP3 1382 30.738 90.569 48.892 1.00 0.00 WT7 O ATOM 55202 H1 TIP3 1382 31.630 90.646 49.231 1.00 0.00 WT7 H ATOM 55203 H2 TIP3 1382 30.848 90.467 47.947 1.00 0.00 WT7 H ATOM 55204 OH2 TIP3 1383 88.024 92.784 29.920 1.00 0.00 WT7 O ATOM 55205 H1 TIP3 1383 87.928 92.640 28.979 1.00 0.00 WT7 H ATOM 55206 H2 TIP3 1383 87.879 93.723 30.036 1.00 0.00 WT7 H ATOM 55207 OH2 TIP3 1387 85.623 67.234 -11.579 1.00 0.00 WT7 O ATOM 55208 H1 TIP3 1387 85.670 66.281 -11.505 1.00 0.00 WT7 H ATOM 55209 H2 TIP3 1387 84.829 67.473 -11.100 1.00 0.00 WT7 H ATOM 55210 OH2 TIP3 1395 21.416 55.811 21.374 1.00 0.00 WT7 O ATOM 55211 H1 TIP3 1395 21.344 56.172 22.257 1.00 0.00 WT7 H ATOM 55212 H2 TIP3 1395 20.608 55.314 21.251 1.00 0.00 WT7 H ATOM 55213 OH2 TIP3 1399 88.107 38.712 2.856 1.00 0.00 WT7 O ATOM 55214 H1 TIP3 1399 88.311 38.670 3.790 1.00 0.00 WT7 H ATOM 55215 H2 TIP3 1399 88.819 38.232 2.434 1.00 0.00 WT7 H ATOM 55216 OH2 TIP3 1401 84.337 50.395 -7.851 1.00 0.00 WT7 O ATOM 55217 H1 TIP3 1401 85.239 50.298 -7.543 1.00 0.00 WT7 H ATOM 55218 H2 TIP3 1401 84.293 49.853 -8.638 1.00 0.00 WT7 H ATOM 55219 OH2 TIP3 1408 52.786 78.237 49.652 1.00 0.00 WT7 O ATOM 55220 H1 TIP3 1408 53.501 78.319 50.284 1.00 0.00 WT7 H ATOM 55221 H2 TIP3 1408 52.782 77.310 49.413 1.00 0.00 WT7 H ATOM 55222 OH2 TIP3 1409 83.095 15.694 42.302 1.00 0.00 WT7 O ATOM 55223 H1 TIP3 1409 83.724 15.316 42.917 1.00 0.00 WT7 H ATOM 55224 H2 TIP3 1409 82.833 16.521 42.706 1.00 0.00 WT7 H ATOM 55225 OH2 TIP3 1414 74.426 71.848 29.842 1.00 0.00 WT7 O ATOM 55226 H1 TIP3 1414 73.472 71.761 29.833 1.00 0.00 WT7 H ATOM 55227 H2 TIP3 1414 74.702 71.540 28.979 1.00 0.00 WT7 H ATOM 55228 OH2 TIP3 1429 74.683 26.766 64.610 1.00 0.00 WT7 O ATOM 55229 H1 TIP3 1429 73.918 26.465 65.101 1.00 0.00 WT7 H ATOM 55230 H2 TIP3 1429 74.365 27.515 64.106 1.00 0.00 WT7 H ATOM 55231 OH2 TIP3 1433 89.052 1.196 57.319 1.00 0.00 WT7 O ATOM 55232 H1 TIP3 1433 88.402 0.547 57.591 1.00 0.00 WT7 H ATOM 55233 H2 TIP3 1433 89.626 1.293 58.079 1.00 0.00 WT7 H ATOM 55234 OH2 TIP3 1436 60.587 56.256 28.004 1.00 0.00 WT7 O ATOM 55235 H1 TIP3 1436 59.839 56.236 28.602 1.00 0.00 WT7 H ATOM 55236 H2 TIP3 1436 60.290 55.772 27.234 1.00 0.00 WT7 H ATOM 55237 OH2 TIP3 1440 78.260 54.633 -16.754 1.00 0.00 WT7 O ATOM 55238 H1 TIP3 1440 77.726 54.125 -16.143 1.00 0.00 WT7 H ATOM 55239 H2 TIP3 1440 79.148 54.577 -16.400 1.00 0.00 WT7 H ATOM 55240 OH2 TIP3 1445 68.952 77.675 40.220 1.00 0.00 WT7 O ATOM 55241 H1 TIP3 1445 68.726 78.399 39.637 1.00 0.00 WT7 H ATOM 55242 H2 TIP3 1445 69.541 77.125 39.704 1.00 0.00 WT7 H ATOM 55243 OH2 TIP3 1451 90.251 92.484 -13.893 1.00 0.00 WT7 O ATOM 55244 H1 TIP3 1451 90.227 91.572 -13.601 1.00 0.00 WT7 H ATOM 55245 H2 TIP3 1451 91.119 92.795 -13.634 1.00 0.00 WT7 H ATOM 55246 OH2 TIP3 1459 43.793 87.575 3.317 1.00 0.00 WT7 O ATOM 55247 H1 TIP3 1459 44.477 86.929 3.140 1.00 0.00 WT7 H ATOM 55248 H2 TIP3 1459 44.140 88.100 4.038 1.00 0.00 WT7 H ATOM 55249 OH2 TIP3 1476 21.787 26.974 58.586 1.00 0.00 WT7 O ATOM 55250 H1 TIP3 1476 22.114 27.227 57.722 1.00 0.00 WT7 H ATOM 55251 H2 TIP3 1476 22.462 26.393 58.937 1.00 0.00 WT7 H ATOM 55252 OH2 TIP3 1480 55.022 36.668 -0.956 1.00 0.00 WT7 O ATOM 55253 H1 TIP3 1480 54.804 37.473 -1.424 1.00 0.00 WT7 H ATOM 55254 H2 TIP3 1480 55.127 36.940 -0.045 1.00 0.00 WT7 H ATOM 55255 OH2 TIP3 1486 88.938 71.007 -2.127 1.00 0.00 WT7 O ATOM 55256 H1 TIP3 1486 89.609 70.672 -1.532 1.00 0.00 WT7 H ATOM 55257 H2 TIP3 1486 88.157 70.493 -1.921 1.00 0.00 WT7 H ATOM 55258 OH2 TIP3 1509 73.124 78.123 -11.426 1.00 0.00 WT7 O ATOM 55259 H1 TIP3 1509 73.722 78.795 -11.099 1.00 0.00 WT7 H ATOM 55260 H2 TIP3 1509 72.385 78.142 -10.818 1.00 0.00 WT7 H ATOM 55261 OH2 TIP3 1518 31.005 86.692 27.584 1.00 0.00 WT7 O ATOM 55262 H1 TIP3 1518 30.817 86.759 28.520 1.00 0.00 WT7 H ATOM 55263 H2 TIP3 1518 31.959 86.746 27.525 1.00 0.00 WT7 H ATOM 55264 OH2 TIP3 1524 65.887 84.659 60.253 1.00 0.00 WT7 O ATOM 55265 H1 TIP3 1524 65.692 84.900 61.158 1.00 0.00 WT7 H ATOM 55266 H2 TIP3 1524 66.049 85.494 59.812 1.00 0.00 WT7 H ATOM 55267 OH2 TIP3 1573 80.532 89.493 50.786 1.00 0.00 WT7 O ATOM 55268 H1 TIP3 1573 80.956 89.906 50.034 1.00 0.00 WT7 H ATOM 55269 H2 TIP3 1573 81.243 89.051 51.250 1.00 0.00 WT7 H ATOM 55270 OH2 TIP3 1592 84.206 50.636 13.786 1.00 0.00 WT7 O ATOM 55271 H1 TIP3 1592 83.980 51.470 13.374 1.00 0.00 WT7 H ATOM 55272 H2 TIP3 1592 85.091 50.767 14.125 1.00 0.00 WT7 H ATOM 55273 OH2 TIP3 1618 49.841 11.477 50.063 1.00 0.00 WT7 O ATOM 55274 H1 TIP3 1618 49.444 12.303 49.786 1.00 0.00 WT7 H ATOM 55275 H2 TIP3 1618 49.135 10.834 49.989 1.00 0.00 WT7 H ATOM 55276 OH2 TIP3 1725 51.116 68.775 6.710 1.00 0.00 WT7 O ATOM 55277 H1 TIP3 1725 51.548 68.116 7.253 1.00 0.00 WT7 H ATOM 55278 H2 TIP3 1725 50.486 69.194 7.297 1.00 0.00 WT7 H ATOM 55279 OH2 TIP3 1733 64.638 63.535 29.214 1.00 0.00 WT7 O ATOM 55280 H1 TIP3 1733 64.050 62.853 28.889 1.00 0.00 WT7 H ATOM 55281 H2 TIP3 1733 64.134 64.344 29.132 1.00 0.00 WT7 H ATOM 55282 OH2 TIP3 1771 21.982 35.536 34.350 1.00 0.00 WT7 O ATOM 55283 H1 TIP3 1771 21.360 35.361 35.056 1.00 0.00 WT7 H ATOM 55284 H2 TIP3 1771 21.510 36.117 33.753 1.00 0.00 WT7 H ATOM 55285 OH2 TIP3 1775 69.836 55.634 19.716 1.00 0.00 WT7 O ATOM 55286 H1 TIP3 1775 68.935 55.743 20.020 1.00 0.00 WT7 H ATOM 55287 H2 TIP3 1775 69.762 55.579 18.763 1.00 0.00 WT7 H ATOM 55288 OH2 TIP3 1778 52.824 8.232 7.692 1.00 0.00 WT7 O ATOM 55289 H1 TIP3 1778 52.226 7.792 8.296 1.00 0.00 WT7 H ATOM 55290 H2 TIP3 1778 52.822 9.146 7.975 1.00 0.00 WT7 H ATOM 55291 OH2 TIP3 1779 44.418 49.851 -19.076 1.00 0.00 WT7 O ATOM 55292 H1 TIP3 1779 44.743 50.531 -18.485 1.00 0.00 WT7 H ATOM 55293 H2 TIP3 1779 44.789 50.077 -19.929 1.00 0.00 WT7 H ATOM 55294 OH2 TIP3 1812 84.712 64.116 21.070 1.00 0.00 WT7 O ATOM 55295 H1 TIP3 1812 85.008 63.215 21.194 1.00 0.00 WT7 H ATOM 55296 H2 TIP3 1812 84.237 64.102 20.239 1.00 0.00 WT7 H ATOM 55297 OH2 TIP3 1849 80.891 95.287 -18.302 1.00 0.00 WT7 O ATOM 55298 H1 TIP3 1849 81.538 95.991 -18.328 1.00 0.00 WT7 H ATOM 55299 H2 TIP3 1849 81.019 94.874 -17.448 1.00 0.00 WT7 H ATOM 55300 OH2 TIP3 1853 28.377 30.738 65.331 1.00 0.00 WT7 O ATOM 55301 H1 TIP3 1853 28.419 30.138 66.076 1.00 0.00 WT7 H ATOM 55302 H2 TIP3 1853 27.443 30.812 65.136 1.00 0.00 WT7 H ATOM 55303 OH2 TIP3 1858 39.661 10.841 19.585 1.00 0.00 WT7 O ATOM 55304 H1 TIP3 1858 39.539 10.830 18.635 1.00 0.00 WT7 H ATOM 55305 H2 TIP3 1858 40.205 11.611 19.748 1.00 0.00 WT7 H ATOM 55306 OH2 TIP3 1859 67.931 95.862 25.408 1.00 0.00 WT7 O ATOM 55307 H1 TIP3 1859 67.509 96.191 26.202 1.00 0.00 WT7 H ATOM 55308 H2 TIP3 1859 67.446 95.065 25.193 1.00 0.00 WT7 H ATOM 55309 OH2 TIP3 1864 65.486 86.558 43.306 1.00 0.00 WT7 O ATOM 55310 H1 TIP3 1864 66.028 86.127 43.968 1.00 0.00 WT7 H ATOM 55311 H2 TIP3 1864 65.286 87.415 43.681 1.00 0.00 WT7 H ATOM 55312 OH2 TIP3 1879 22.074 1.060 65.940 1.00 0.00 WT7 O ATOM 55313 H1 TIP3 1879 22.954 0.694 66.026 1.00 0.00 WT7 H ATOM 55314 H2 TIP3 1879 21.494 0.367 66.256 1.00 0.00 WT7 H ATOM 55315 OH2 TIP3 1880 51.321 18.981 -11.973 1.00 0.00 WT7 O ATOM 55316 H1 TIP3 1880 52.021 18.447 -12.348 1.00 0.00 WT7 H ATOM 55317 H2 TIP3 1880 51.505 19.869 -12.282 1.00 0.00 WT7 H ATOM 55318 OH2 TIP3 1882 33.766 51.400 35.425 1.00 0.00 WT7 O ATOM 55319 H1 TIP3 1882 33.401 52.276 35.549 1.00 0.00 WT7 H ATOM 55320 H2 TIP3 1882 33.421 50.890 36.158 1.00 0.00 WT7 H ATOM 55321 OH2 TIP3 1897 77.877 56.121 21.157 1.00 0.00 WT7 O ATOM 55322 H1 TIP3 1897 77.054 55.709 20.897 1.00 0.00 WT7 H ATOM 55323 H2 TIP3 1897 77.951 56.888 20.589 1.00 0.00 WT7 H ATOM 55324 OH2 TIP3 1898 34.331 70.480 -18.920 1.00 0.00 WT7 O ATOM 55325 H1 TIP3 1898 33.839 70.299 -18.119 1.00 0.00 WT7 H ATOM 55326 H2 TIP3 1898 33.970 69.873 -19.565 1.00 0.00 WT7 H ATOM 55327 OH2 TIP3 1925 31.322 36.530 9.021 1.00 0.00 WT7 O ATOM 55328 H1 TIP3 1925 31.518 37.388 8.643 1.00 0.00 WT7 H ATOM 55329 H2 TIP3 1925 30.465 36.301 8.663 1.00 0.00 WT7 H ATOM 55330 OH2 TIP3 1949 69.700 82.652 4.125 1.00 0.00 WT7 O ATOM 55331 H1 TIP3 1949 69.751 81.696 4.130 1.00 0.00 WT7 H ATOM 55332 H2 TIP3 1949 69.093 82.856 3.414 1.00 0.00 WT7 H ATOM 55333 OH2 TIP3 1960 69.188 26.905 30.319 1.00 0.00 WT7 O ATOM 55334 H1 TIP3 1960 69.893 26.948 29.672 1.00 0.00 WT7 H ATOM 55335 H2 TIP3 1960 68.516 26.363 29.906 1.00 0.00 WT7 H ATOM 55336 OH2 TIP3 1965 65.555 88.311 40.824 1.00 0.00 WT7 O ATOM 55337 H1 TIP3 1965 64.868 87.829 41.284 1.00 0.00 WT7 H ATOM 55338 H2 TIP3 1965 66.301 87.711 40.811 1.00 0.00 WT7 H ATOM 55339 OH2 TIP3 1994 86.847 83.247 52.677 1.00 0.00 WT7 O ATOM 55340 H1 TIP3 1994 87.234 82.548 52.150 1.00 0.00 WT7 H ATOM 55341 H2 TIP3 1994 86.044 83.482 52.212 1.00 0.00 WT7 H ATOM 55342 OH2 TIP3 2127 37.583 89.547 -4.602 1.00 0.00 WT7 O ATOM 55343 H1 TIP3 2127 38.472 89.235 -4.769 1.00 0.00 WT7 H ATOM 55344 H2 TIP3 2127 37.673 90.142 -3.858 1.00 0.00 WT7 H ATOM 55345 OH2 TIP3 2231 54.769 65.826 28.859 1.00 0.00 WT7 O ATOM 55346 H1 TIP3 2231 55.589 65.657 29.323 1.00 0.00 WT7 H ATOM 55347 H2 TIP3 2231 54.609 65.029 28.355 1.00 0.00 WT7 H ATOM 55348 OH2 TIP3 2236 69.682 62.994 -12.368 1.00 0.00 WT7 O ATOM 55349 H1 TIP3 2236 69.436 62.124 -12.053 1.00 0.00 WT7 H ATOM 55350 H2 TIP3 2236 69.208 63.094 -13.193 1.00 0.00 WT7 H ATOM 55351 OH2 TIP3 2268 59.416 55.834 22.805 1.00 0.00 WT7 O ATOM 55352 H1 TIP3 2268 59.181 54.906 22.798 1.00 0.00 WT7 H ATOM 55353 H2 TIP3 2268 58.851 56.230 22.141 1.00 0.00 WT7 H ATOM 55354 OH2 TIP3 2270 85.154 2.987 60.259 1.00 0.00 WT7 O ATOM 55355 H1 TIP3 2270 84.835 2.345 60.893 1.00 0.00 WT7 H ATOM 55356 H2 TIP3 2270 84.374 3.479 60.002 1.00 0.00 WT7 H ATOM 55357 OH2 TIP3 2282 67.108 49.211 -19.633 1.00 0.00 WT7 O ATOM 55358 H1 TIP3 2282 66.288 49.589 -19.314 1.00 0.00 WT7 H ATOM 55359 H2 TIP3 2282 67.653 49.968 -19.849 1.00 0.00 WT7 H ATOM 55360 OH2 TIP3 2288 85.616 78.513 1.774 1.00 0.00 WT7 O ATOM 55361 H1 TIP3 2288 86.147 78.196 1.043 1.00 0.00 WT7 H ATOM 55362 H2 TIP3 2288 86.181 78.416 2.540 1.00 0.00 WT7 H ATOM 55363 OH2 TIP3 2293 73.460 38.565 39.009 1.00 0.00 WT7 O ATOM 55364 H1 TIP3 2293 73.355 39.273 38.373 1.00 0.00 WT7 H ATOM 55365 H2 TIP3 2293 73.170 37.780 38.544 1.00 0.00 WT7 H ATOM 55366 OH2 TIP3 2317 28.831 85.946 -17.741 1.00 0.00 WT7 O ATOM 55367 H1 TIP3 2317 28.217 86.618 -18.038 1.00 0.00 WT7 H ATOM 55368 H2 TIP3 2317 28.297 85.347 -17.219 1.00 0.00 WT7 H ATOM 55369 OH2 TIP3 2324 87.938 81.066 66.126 1.00 0.00 WT7 O ATOM 55370 H1 TIP3 2324 88.357 81.751 66.648 1.00 0.00 WT7 H ATOM 55371 H2 TIP3 2324 87.492 80.514 66.768 1.00 0.00 WT7 H ATOM 55372 OH2 TIP3 2327 24.937 63.405 13.341 1.00 0.00 WT7 O ATOM 55373 H1 TIP3 2327 24.700 63.337 14.266 1.00 0.00 WT7 H ATOM 55374 H2 TIP3 2327 25.892 63.472 13.343 1.00 0.00 WT7 H ATOM 55375 OH2 TIP3 2357 25.051 56.299 15.458 1.00 0.00 WT7 O ATOM 55376 H1 TIP3 2357 25.472 57.153 15.560 1.00 0.00 WT7 H ATOM 55377 H2 TIP3 2357 25.617 55.823 14.851 1.00 0.00 WT7 H ATOM 55378 OH2 TIP3 2358 50.325 21.845 1.593 1.00 0.00 WT7 O ATOM 55379 H1 TIP3 2358 49.408 21.654 1.791 1.00 0.00 WT7 H ATOM 55380 H2 TIP3 2358 50.643 22.319 2.361 1.00 0.00 WT7 H ATOM 55381 OH2 TIP3 2408 50.952 51.442 -8.044 1.00 0.00 WT7 O ATOM 55382 H1 TIP3 2408 50.454 52.207 -7.758 1.00 0.00 WT7 H ATOM 55383 H2 TIP3 2408 50.949 50.857 -7.287 1.00 0.00 WT7 H ATOM 55384 OH2 TIP3 2411 36.845 14.743 49.030 1.00 0.00 WT7 O ATOM 55385 H1 TIP3 2411 37.565 14.230 48.665 1.00 0.00 WT7 H ATOM 55386 H2 TIP3 2411 37.196 15.631 49.104 1.00 0.00 WT7 H ATOM 55387 OH2 TIP3 2629 31.628 75.193 50.354 1.00 0.00 WT7 O ATOM 55388 H1 TIP3 2629 30.677 75.086 50.338 1.00 0.00 WT7 H ATOM 55389 H2 TIP3 2629 31.906 75.001 49.458 1.00 0.00 WT7 H ATOM 55390 OH2 TIP3 2644 64.220 20.973 0.108 1.00 0.00 WT7 O ATOM 55391 H1 TIP3 2644 63.580 20.394 0.521 1.00 0.00 WT7 H ATOM 55392 H2 TIP3 2644 65.055 20.514 0.202 1.00 0.00 WT7 H ATOM 55393 OH2 TIP3 2705 25.720 29.639 51.376 1.00 0.00 WT7 O ATOM 55394 H1 TIP3 2705 25.309 30.458 51.102 1.00 0.00 WT7 H ATOM 55395 H2 TIP3 2705 25.448 29.001 50.716 1.00 0.00 WT7 H ATOM 55396 OH2 TIP3 2714 82.226 80.200 7.403 1.00 0.00 WT7 O ATOM 55397 H1 TIP3 2714 82.274 79.318 7.771 1.00 0.00 WT7 H ATOM 55398 H2 TIP3 2714 82.457 80.089 6.481 1.00 0.00 WT7 H ATOM 55399 OH2 TIP3 2759 78.196 83.897 66.029 1.00 0.00 WT7 O ATOM 55400 H1 TIP3 2759 77.605 83.143 66.045 1.00 0.00 WT7 H ATOM 55401 H2 TIP3 2759 77.847 84.488 66.696 1.00 0.00 WT7 H ATOM 55402 OH2 TIP3 2780 69.971 63.540 13.222 1.00 0.00 WT7 O ATOM 55403 H1 TIP3 2780 69.990 64.227 12.556 1.00 0.00 WT7 H ATOM 55404 H2 TIP3 2780 69.080 63.194 13.184 1.00 0.00 WT7 H ATOM 55405 OH2 TIP3 2855 54.472 6.460 14.533 1.00 0.00 WT7 O ATOM 55406 H1 TIP3 2855 54.790 5.672 14.973 1.00 0.00 WT7 H ATOM 55407 H2 TIP3 2855 53.599 6.224 14.220 1.00 0.00 WT7 H ATOM 55408 OH2 TIP3 2872 34.657 93.165 43.263 1.00 0.00 WT7 O ATOM 55409 H1 TIP3 2872 35.527 93.155 42.866 1.00 0.00 WT7 H ATOM 55410 H2 TIP3 2872 34.062 92.950 42.545 1.00 0.00 WT7 H ATOM 55411 OH2 TIP3 2895 33.218 95.700 8.479 1.00 0.00 WT7 O ATOM 55412 H1 TIP3 2895 33.522 95.813 9.380 1.00 0.00 WT7 H ATOM 55413 H2 TIP3 2895 34.020 95.618 7.964 1.00 0.00 WT7 H ATOM 55414 OH2 TIP3 3287 89.881 88.669 2.844 1.00 0.00 WT7 O ATOM 55415 H1 TIP3 3287 90.431 88.376 3.571 1.00 0.00 WT7 H ATOM 55416 H2 TIP3 3287 89.674 89.580 3.053 1.00 0.00 WT7 H ATOM 55417 OH2 TIP3 3294 50.075 74.527 63.866 1.00 0.00 WT7 O ATOM 55418 H1 TIP3 3294 49.756 74.179 63.033 1.00 0.00 WT7 H ATOM 55419 H2 TIP3 3294 49.316 74.969 64.248 1.00 0.00 WT7 H ATOM 55420 OH2 TIP3 3521 62.437 81.616 39.650 1.00 0.00 WT7 O ATOM 55421 H1 TIP3 3521 62.677 82.079 38.848 1.00 0.00 WT7 H ATOM 55422 H2 TIP3 3521 62.497 80.689 39.419 1.00 0.00 WT7 H ATOM 55423 OH2 TIP3 3665 66.280 74.073 19.151 1.00 0.00 WT7 O ATOM 55424 H1 TIP3 3665 67.038 74.007 18.571 1.00 0.00 WT7 H ATOM 55425 H2 TIP3 3665 65.607 73.539 18.729 1.00 0.00 WT7 H ATOM 55426 OH2 TIP3 5421 30.439 56.738 34.533 1.00 0.00 WT7 O ATOM 55427 H1 TIP3 5421 31.387 56.802 34.419 1.00 0.00 WT7 H ATOM 55428 H2 TIP3 5421 30.075 57.235 33.800 1.00 0.00 WT7 H ATOM 55429 OH2 TIP3 6240 56.091 40.410 47.749 1.00 0.00 WT7 O ATOM 55430 H1 TIP3 6240 55.365 40.833 47.290 1.00 0.00 WT7 H ATOM 55431 H2 TIP3 6240 55.865 39.480 47.749 1.00 0.00 WT7 H ATOM 55432 OH2 TIP3 6350 62.533 64.930 30.900 1.00 0.00 WT7 O ATOM 55433 H1 TIP3 6350 61.804 64.706 30.321 1.00 0.00 WT7 H ATOM 55434 H2 TIP3 6350 62.678 64.139 31.420 1.00 0.00 WT7 H ATOM 55435 OH2 TIP3 6628 48.798 14.676 22.903 1.00 0.00 WT7 O ATOM 55436 H1 TIP3 6628 48.244 15.401 22.612 1.00 0.00 WT7 H ATOM 55437 H2 TIP3 6628 49.285 15.031 23.647 1.00 0.00 WT7 H ATOM 55438 OH2 TIP3 6650 84.104 29.547 50.833 1.00 0.00 WT7 O ATOM 55439 H1 TIP3 6650 83.995 29.992 49.992 1.00 0.00 WT7 H ATOM 55440 H2 TIP3 6650 83.377 29.865 51.368 1.00 0.00 WT7 H ATOM 55441 OH2 TIP3 6671 28.185 49.803 60.899 1.00 0.00 WT7 O ATOM 55442 H1 TIP3 6671 28.600 49.989 61.741 1.00 0.00 WT7 H ATOM 55443 H2 TIP3 6671 28.131 50.654 60.465 1.00 0.00 WT7 H ATOM 55444 OH2 TIP3 6751 58.466 85.933 65.106 1.00 0.00 WT7 O ATOM 55445 H1 TIP3 6751 57.530 85.856 65.290 1.00 0.00 WT7 H ATOM 55446 H2 TIP3 6751 58.742 85.043 64.887 1.00 0.00 WT7 H ATOM 55447 OH2 TIP3 6773 41.372 20.671 25.537 1.00 0.00 WT7 O ATOM 55448 H1 TIP3 6773 42.113 21.060 25.073 1.00 0.00 WT7 H ATOM 55449 H2 TIP3 6773 41.330 19.772 25.211 1.00 0.00 WT7 H ATOM 55450 OH2 TIP3 7027 68.791 42.885 -9.618 1.00 0.00 WT7 O ATOM 55451 H1 TIP3 7027 68.303 42.305 -9.034 1.00 0.00 WT7 H ATOM 55452 H2 TIP3 7027 68.513 42.628 -10.497 1.00 0.00 WT7 H ATOM 55453 OH2 TIP3 7114 44.716 47.155 -18.342 1.00 0.00 WT7 O ATOM 55454 H1 TIP3 7114 44.422 48.007 -18.665 1.00 0.00 WT7 H ATOM 55455 H2 TIP3 7114 45.505 46.965 -18.851 1.00 0.00 WT7 H ATOM 55456 OH2 TIP3 7133 65.318 87.392 9.355 1.00 0.00 WT7 O ATOM 55457 H1 TIP3 7133 64.662 87.557 8.678 1.00 0.00 WT7 H ATOM 55458 H2 TIP3 7133 65.330 86.440 9.453 1.00 0.00 WT7 H ATOM 55459 OH2 TIP3 7165 67.527 29.034 0.881 1.00 0.00 WT7 O ATOM 55460 H1 TIP3 7165 68.070 29.436 1.560 1.00 0.00 WT7 H ATOM 55461 H2 TIP3 7165 66.651 29.000 1.263 1.00 0.00 WT7 H ATOM 55462 OH2 TIP3 7214 71.974 21.823 1.232 1.00 0.00 WT7 O ATOM 55463 H1 TIP3 7214 72.774 21.784 0.708 1.00 0.00 WT7 H ATOM 55464 H2 TIP3 7214 71.798 22.758 1.332 1.00 0.00 WT7 H ATOM 55465 OH2 TIP3 7295 26.061 75.114 64.711 1.00 0.00 WT7 O ATOM 55466 H1 TIP3 7295 26.279 75.247 65.634 1.00 0.00 WT7 H ATOM 55467 H2 TIP3 7295 26.424 75.879 64.266 1.00 0.00 WT7 H ATOM 55468 OH2 TIP3 7532 32.835 85.773 -15.470 1.00 0.00 WT7 O ATOM 55469 H1 TIP3 7532 32.552 86.169 -16.294 1.00 0.00 WT7 H ATOM 55470 H2 TIP3 7532 32.957 86.515 -14.877 1.00 0.00 WT7 H ATOM 55471 OH2 TIP3 7537 48.248 37.597 -7.798 1.00 0.00 WT7 O ATOM 55472 H1 TIP3 7537 48.601 38.077 -7.049 1.00 0.00 WT7 H ATOM 55473 H2 TIP3 7537 47.350 37.383 -7.544 1.00 0.00 WT7 H ATOM 55474 OH2 TIP3 7563 49.941 87.906 -15.695 1.00 0.00 WT7 O ATOM 55475 H1 TIP3 7563 49.787 87.093 -16.177 1.00 0.00 WT7 H ATOM 55476 H2 TIP3 7563 50.863 88.110 -15.856 1.00 0.00 WT7 H ATOM 55477 OH2 TIP3 7568 37.685 79.172 56.403 1.00 0.00 WT7 O ATOM 55478 H1 TIP3 7568 38.640 79.165 56.464 1.00 0.00 WT7 H ATOM 55479 H2 TIP3 7568 37.505 79.332 55.477 1.00 0.00 WT7 H ATOM 55480 OH2 TIP3 7576 63.104 53.556 -4.533 1.00 0.00 WT7 O ATOM 55481 H1 TIP3 7576 62.417 53.507 -5.197 1.00 0.00 WT7 H ATOM 55482 H2 TIP3 7576 62.646 53.423 -3.703 1.00 0.00 WT7 H ATOM 55483 OH2 TIP3 7583 54.314 39.122 37.016 1.00 0.00 WT7 O ATOM 55484 H1 TIP3 7583 54.038 39.759 36.357 1.00 0.00 WT7 H ATOM 55485 H2 TIP3 7583 54.848 38.492 36.532 1.00 0.00 WT7 H ATOM 55486 OH2 TIP3 7592 30.937 77.385 38.322 1.00 0.00 WT7 O ATOM 55487 H1 TIP3 7592 31.401 76.810 38.931 1.00 0.00 WT7 H ATOM 55488 H2 TIP3 7592 31.367 78.235 38.419 1.00 0.00 WT7 H ATOM 55489 OH2 TIP3 7607 60.243 51.583 -18.345 1.00 0.00 WT7 O ATOM 55490 H1 TIP3 7607 61.189 51.435 -18.354 1.00 0.00 WT7 H ATOM 55491 H2 TIP3 7607 60.118 52.363 -18.885 1.00 0.00 WT7 H ATOM 55492 OH2 TIP3 7630 77.286 43.547 44.388 1.00 0.00 WT7 O ATOM 55493 H1 TIP3 7630 77.016 43.703 45.293 1.00 0.00 WT7 H ATOM 55494 H2 TIP3 7630 77.301 44.417 43.989 1.00 0.00 WT7 H ATOM 55495 OH2 TIP3 7631 59.254 42.854 -8.605 1.00 0.00 WT7 O ATOM 55496 H1 TIP3 7631 59.037 42.876 -7.673 1.00 0.00 WT7 H ATOM 55497 H2 TIP3 7631 58.437 43.085 -9.048 1.00 0.00 WT7 H ATOM 55498 OH2 TIP3 7634 41.174 11.602 51.505 1.00 0.00 WT7 O ATOM 55499 H1 TIP3 7634 40.899 11.639 52.421 1.00 0.00 WT7 H ATOM 55500 H2 TIP3 7634 41.821 12.302 51.420 1.00 0.00 WT7 H ATOM 55501 OH2 TIP3 7642 77.734 85.001 53.236 1.00 0.00 WT7 O ATOM 55502 H1 TIP3 7642 77.744 84.305 53.894 1.00 0.00 WT7 H ATOM 55503 H2 TIP3 7642 77.761 84.540 52.398 1.00 0.00 WT7 H ATOM 55504 OH2 TIP3 7647 49.807 0.476 -0.620 1.00 0.00 WT7 O ATOM 55505 H1 TIP3 7647 50.166 -0.057 -1.329 1.00 0.00 WT7 H ATOM 55506 H2 TIP3 7647 50.574 0.862 -0.198 1.00 0.00 WT7 H ATOM 55507 OH2 TIP3 7650 27.167 16.055 52.293 1.00 0.00 WT7 O ATOM 55508 H1 TIP3 7650 27.442 16.320 51.416 1.00 0.00 WT7 H ATOM 55509 H2 TIP3 7650 27.939 16.200 52.841 1.00 0.00 WT7 H ATOM 55510 OH2 TIP3 7661 63.939 77.542 -13.420 1.00 0.00 WT7 O ATOM 55511 H1 TIP3 7661 64.377 76.933 -12.826 1.00 0.00 WT7 H ATOM 55512 H2 TIP3 7661 63.602 76.990 -14.125 1.00 0.00 WT7 H ATOM 55513 OH2 TIP3 7707 52.456 39.842 -12.303 1.00 0.00 WT7 O ATOM 55514 H1 TIP3 7707 52.827 39.751 -11.425 1.00 0.00 WT7 H ATOM 55515 H2 TIP3 7707 51.571 39.485 -12.228 1.00 0.00 WT7 H ATOM 55516 OH2 TIP3 7739 36.573 56.673 3.170 1.00 0.00 WT7 O ATOM 55517 H1 TIP3 7739 36.370 55.768 3.407 1.00 0.00 WT7 H ATOM 55518 H2 TIP3 7739 37.517 56.750 3.306 1.00 0.00 WT7 H ATOM 55519 OH2 TIP3 7876 48.945 32.041 5.959 1.00 0.00 WT7 O ATOM 55520 H1 TIP3 7876 48.131 32.543 5.998 1.00 0.00 WT7 H ATOM 55521 H2 TIP3 7876 49.636 32.692 6.082 1.00 0.00 WT7 H ATOM 55522 OH2 TIP3 7951 79.478 67.576 21.923 1.00 0.00 WT7 O ATOM 55523 H1 TIP3 7951 79.624 67.169 21.069 1.00 0.00 WT7 H ATOM 55524 H2 TIP3 7951 78.632 67.233 22.211 1.00 0.00 WT7 H ATOM 55525 OH2 TIP3 7961 35.730 94.802 7.387 1.00 0.00 WT7 O ATOM 55526 H1 TIP3 7961 36.563 94.875 6.921 1.00 0.00 WT7 H ATOM 55527 H2 TIP3 7961 35.964 94.883 8.311 1.00 0.00 WT7 H ATOM 55528 OH2 TIP3 7978 65.534 9.159 39.224 1.00 0.00 WT7 O ATOM 55529 H1 TIP3 7978 65.436 9.700 38.440 1.00 0.00 WT7 H ATOM 55530 H2 TIP3 7978 65.844 9.765 39.896 1.00 0.00 WT7 H ATOM 55531 OH2 TIP3 7985 27.064 15.042 -12.351 1.00 0.00 WT7 O ATOM 55532 H1 TIP3 7985 26.518 15.760 -12.670 1.00 0.00 WT7 H ATOM 55533 H2 TIP3 7985 26.508 14.266 -12.426 1.00 0.00 WT7 H ATOM 55534 OH2 TIP3 7997 43.396 90.918 44.890 1.00 0.00 WT7 O ATOM 55535 H1 TIP3 7997 42.969 90.786 45.736 1.00 0.00 WT7 H ATOM 55536 H2 TIP3 7997 44.154 91.468 45.087 1.00 0.00 WT7 H ATOM 55537 OH2 TIP3 7998 35.647 2.122 -10.401 1.00 0.00 WT7 O ATOM 55538 H1 TIP3 7998 34.830 1.804 -10.785 1.00 0.00 WT7 H ATOM 55539 H2 TIP3 7998 35.802 2.964 -10.831 1.00 0.00 WT7 H ATOM 55540 OH2 TIP3 8009 50.436 27.999 29.526 1.00 0.00 WT7 O ATOM 55541 H1 TIP3 8009 49.622 28.484 29.390 1.00 0.00 WT7 H ATOM 55542 H2 TIP3 8009 51.069 28.426 28.950 1.00 0.00 WT7 H ATOM 55543 OH2 TIP3 8014 71.523 90.278 24.828 1.00 0.00 WT7 O ATOM 55544 H1 TIP3 8014 71.481 90.058 25.759 1.00 0.00 WT7 H ATOM 55545 H2 TIP3 8014 71.657 89.438 24.389 1.00 0.00 WT7 H ATOM 55546 OH2 TIP3 8023 22.914 81.109 8.278 1.00 0.00 WT7 O ATOM 55547 H1 TIP3 8023 23.568 80.585 7.815 1.00 0.00 WT7 H ATOM 55548 H2 TIP3 8023 22.269 80.472 8.584 1.00 0.00 WT7 H ATOM 55549 OH2 TIP3 8024 63.898 8.113 36.757 1.00 0.00 WT7 O ATOM 55550 H1 TIP3 8024 63.209 7.466 36.603 1.00 0.00 WT7 H ATOM 55551 H2 TIP3 8024 63.914 8.225 37.708 1.00 0.00 WT7 H ATOM 55552 OH2 TIP3 8031 69.016 60.180 -7.181 1.00 0.00 WT7 O ATOM 55553 H1 TIP3 8031 69.011 59.230 -7.061 1.00 0.00 WT7 H ATOM 55554 H2 TIP3 8031 68.188 60.474 -6.802 1.00 0.00 WT7 H ATOM 55555 OH2 TIP3 8034 53.043 63.802 47.226 1.00 0.00 WT7 O ATOM 55556 H1 TIP3 8034 53.300 63.486 46.359 1.00 0.00 WT7 H ATOM 55557 H2 TIP3 8034 53.694 63.428 47.820 1.00 0.00 WT7 H ATOM 55558 OH2 TIP3 8046 55.646 86.959 30.805 1.00 0.00 WT7 O ATOM 55559 H1 TIP3 8046 54.874 86.494 31.126 1.00 0.00 WT7 H ATOM 55560 H2 TIP3 8046 55.304 87.574 30.157 1.00 0.00 WT7 H ATOM 55561 OH2 TIP3 8064 46.648 80.246 -17.517 1.00 0.00 WT7 O ATOM 55562 H1 TIP3 8064 47.048 80.552 -16.703 1.00 0.00 WT7 H ATOM 55563 H2 TIP3 8064 46.601 81.026 -18.069 1.00 0.00 WT7 H ATOM 55564 OH2 TIP3 8067 68.420 81.381 46.418 1.00 0.00 WT7 O ATOM 55565 H1 TIP3 8067 67.758 81.891 45.951 1.00 0.00 WT7 H ATOM 55566 H2 TIP3 8067 68.375 81.698 47.320 1.00 0.00 WT7 H ATOM 55567 OH2 TIP3 8068 78.610 84.216 5.895 1.00 0.00 WT7 O ATOM 55568 H1 TIP3 8068 79.309 83.643 6.210 1.00 0.00 WT7 H ATOM 55569 H2 TIP3 8068 78.983 84.649 5.127 1.00 0.00 WT7 H ATOM 55570 OH2 TIP3 8079 88.794 53.792 15.274 1.00 0.00 WT7 O ATOM 55571 H1 TIP3 8079 89.690 53.883 15.599 1.00 0.00 WT7 H ATOM 55572 H2 TIP3 8079 88.447 54.684 15.275 1.00 0.00 WT7 H ATOM 55573 OH2 TIP3 8123 39.251 66.088 1.168 1.00 0.00 WT7 O ATOM 55574 H1 TIP3 8123 38.882 66.455 1.971 1.00 0.00 WT7 H ATOM 55575 H2 TIP3 8123 40.198 66.141 1.292 1.00 0.00 WT7 H ATOM 55576 OH2 TIP3 8133 23.701 64.820 -4.505 1.00 0.00 WT7 O ATOM 55577 H1 TIP3 8133 22.901 64.384 -4.797 1.00 0.00 WT7 H ATOM 55578 H2 TIP3 8133 24.183 64.143 -4.028 1.00 0.00 WT7 H ATOM 55579 OH2 TIP3 8161 71.212 11.667 40.822 1.00 0.00 WT7 O ATOM 55580 H1 TIP3 8161 72.109 11.383 40.648 1.00 0.00 WT7 H ATOM 55581 H2 TIP3 8161 70.668 11.079 40.298 1.00 0.00 WT7 H ATOM 55582 OH2 TIP3 8174 33.832 58.261 32.236 1.00 0.00 WT7 O ATOM 55583 H1 TIP3 8174 34.591 57.840 31.832 1.00 0.00 WT7 H ATOM 55584 H2 TIP3 8174 34.204 58.832 32.909 1.00 0.00 WT7 H ATOM 55585 OH2 TIP3 8183 39.143 4.082 -1.241 1.00 0.00 WT7 O ATOM 55586 H1 TIP3 8183 39.150 3.269 -0.736 1.00 0.00 WT7 H ATOM 55587 H2 TIP3 8183 39.334 3.809 -2.138 1.00 0.00 WT7 H ATOM 55588 OH2 TIP3 8270 87.791 5.242 52.509 1.00 0.00 WT7 O ATOM 55589 H1 TIP3 8270 88.483 4.781 52.036 1.00 0.00 WT7 H ATOM 55590 H2 TIP3 8270 87.053 4.632 52.509 1.00 0.00 WT7 H ATOM 55591 OH2 TIP3 8290 35.966 21.136 48.341 1.00 0.00 WT7 O ATOM 55592 H1 TIP3 8290 35.855 21.550 49.197 1.00 0.00 WT7 H ATOM 55593 H2 TIP3 8290 35.665 20.236 48.470 1.00 0.00 WT7 H ATOM 55594 OH2 TIP3 8309 83.354 57.275 27.835 1.00 0.00 WT7 O ATOM 55595 H1 TIP3 8309 83.342 56.612 27.146 1.00 0.00 WT7 H ATOM 55596 H2 TIP3 8309 84.274 57.532 27.905 1.00 0.00 WT7 H ATOM 55597 OH2 TIP3 8375 26.999 74.749 15.661 1.00 0.00 WT7 O ATOM 55598 H1 TIP3 8375 26.690 73.845 15.731 1.00 0.00 WT7 H ATOM 55599 H2 TIP3 8375 27.006 75.071 16.562 1.00 0.00 WT7 H ATOM 55600 OH2 TIP3 8376 36.324 5.027 9.337 1.00 0.00 WT7 O ATOM 55601 H1 TIP3 8376 36.885 4.606 8.685 1.00 0.00 WT7 H ATOM 55602 H2 TIP3 8376 35.857 4.304 9.756 1.00 0.00 WT7 H ATOM 55603 OH2 TIP3 8393 21.648 72.617 33.804 1.00 0.00 WT7 O ATOM 55604 H1 TIP3 8393 22.513 72.989 33.633 1.00 0.00 WT7 H ATOM 55605 H2 TIP3 8393 21.043 73.346 33.675 1.00 0.00 WT7 H ATOM 55606 OH2 TIP3 8395 38.365 93.825 -3.940 1.00 0.00 WT7 O ATOM 55607 H1 TIP3 8395 37.713 93.729 -4.634 1.00 0.00 WT7 H ATOM 55608 H2 TIP3 8395 38.161 94.667 -3.534 1.00 0.00 WT7 H ATOM 55609 OH2 TIP3 8403 23.023 51.840 -19.365 1.00 0.00 WT7 O ATOM 55610 H1 TIP3 8403 22.913 50.908 -19.177 1.00 0.00 WT7 H ATOM 55611 H2 TIP3 8403 22.512 52.284 -18.688 1.00 0.00 WT7 H ATOM 55612 OH2 TIP3 8408 24.267 84.796 48.840 1.00 0.00 WT7 O ATOM 55613 H1 TIP3 8408 24.752 85.617 48.918 1.00 0.00 WT7 H ATOM 55614 H2 TIP3 8408 23.986 84.597 49.733 1.00 0.00 WT7 H ATOM 55615 OH2 TIP3 8411 60.922 82.443 0.322 1.00 0.00 WT7 O ATOM 55616 H1 TIP3 8411 60.004 82.188 0.230 1.00 0.00 WT7 H ATOM 55617 H2 TIP3 8411 61.109 82.337 1.255 1.00 0.00 WT7 H ATOM 55618 OH2 TIP3 8414 80.343 86.653 45.170 1.00 0.00 WT7 O ATOM 55619 H1 TIP3 8414 79.895 87.010 45.936 1.00 0.00 WT7 H ATOM 55620 H2 TIP3 8414 79.905 87.062 44.423 1.00 0.00 WT7 H ATOM 55621 OH2 TIP3 8419 63.388 56.746 -9.158 1.00 0.00 WT7 O ATOM 55622 H1 TIP3 8419 64.290 56.610 -8.865 1.00 0.00 WT7 H ATOM 55623 H2 TIP3 8419 62.886 56.848 -8.349 1.00 0.00 WT7 H ATOM 55624 OH2 TIP3 8425 35.290 57.346 28.702 1.00 0.00 WT7 O ATOM 55625 H1 TIP3 8425 34.727 57.636 27.984 1.00 0.00 WT7 H ATOM 55626 H2 TIP3 8425 36.090 57.863 28.604 1.00 0.00 WT7 H ATOM 55627 OH2 TIP3 8440 54.495 53.620 -15.924 1.00 0.00 WT7 O ATOM 55628 H1 TIP3 8440 55.013 54.330 -15.545 1.00 0.00 WT7 H ATOM 55629 H2 TIP3 8440 53.941 53.317 -15.205 1.00 0.00 WT7 H ATOM 55630 OH2 TIP3 8448 46.035 90.934 23.329 1.00 0.00 WT7 O ATOM 55631 H1 TIP3 8448 46.135 90.510 24.181 1.00 0.00 WT7 H ATOM 55632 H2 TIP3 8448 45.975 90.209 22.706 1.00 0.00 WT7 H ATOM 55633 OH2 TIP3 8452 74.810 96.439 -15.366 1.00 0.00 WT7 O ATOM 55634 H1 TIP3 8452 74.017 96.250 -14.866 1.00 0.00 WT7 H ATOM 55635 H2 TIP3 8452 74.519 96.462 -16.278 1.00 0.00 WT7 H ATOM 55636 OH2 TIP3 8459 34.356 16.057 46.691 1.00 0.00 WT7 O ATOM 55637 H1 TIP3 8459 33.772 15.959 45.939 1.00 0.00 WT7 H ATOM 55638 H2 TIP3 8459 34.505 15.163 46.998 1.00 0.00 WT7 H ATOM 55639 OH2 TIP3 8466 89.181 92.803 37.154 1.00 0.00 WT7 O ATOM 55640 H1 TIP3 8466 89.912 92.188 37.089 1.00 0.00 WT7 H ATOM 55641 H2 TIP3 8466 89.597 93.656 37.281 1.00 0.00 WT7 H ATOM 55642 OH2 TIP3 8468 71.845 61.542 -18.244 1.00 0.00 WT7 O ATOM 55643 H1 TIP3 8468 72.593 61.200 -18.734 1.00 0.00 WT7 H ATOM 55644 H2 TIP3 8468 71.289 60.779 -18.090 1.00 0.00 WT7 H ATOM 55645 OH2 TIP3 8492 83.817 90.538 24.467 1.00 0.00 WT7 O ATOM 55646 H1 TIP3 8492 84.473 91.235 24.503 1.00 0.00 WT7 H ATOM 55647 H2 TIP3 8492 83.082 90.873 24.981 1.00 0.00 WT7 H ATOM 55648 OH2 TIP3 8500 78.011 84.288 62.986 1.00 0.00 WT7 O ATOM 55649 H1 TIP3 8500 78.067 83.811 62.158 1.00 0.00 WT7 H ATOM 55650 H2 TIP3 8500 77.886 83.608 63.647 1.00 0.00 WT7 H ATOM 55651 OH2 TIP3 8518 88.776 50.388 63.534 1.00 0.00 WT7 O ATOM 55652 H1 TIP3 8518 88.820 50.877 62.712 1.00 0.00 WT7 H ATOM 55653 H2 TIP3 8518 89.674 50.097 63.688 1.00 0.00 WT7 H ATOM 55654 OH2 TIP3 8520 83.341 54.004 26.771 1.00 0.00 WT7 O ATOM 55655 H1 TIP3 8520 82.734 53.283 26.941 1.00 0.00 WT7 H ATOM 55656 H2 TIP3 8520 83.872 54.063 27.565 1.00 0.00 WT7 H ATOM 55657 OH2 TIP3 8534 80.707 88.769 9.400 1.00 0.00 WT7 O ATOM 55658 H1 TIP3 8534 79.842 88.727 8.992 1.00 0.00 WT7 H ATOM 55659 H2 TIP3 8534 81.071 87.891 9.282 1.00 0.00 WT7 H ATOM 55660 OH2 TIP3 8536 76.251 79.071 22.997 1.00 0.00 WT7 O ATOM 55661 H1 TIP3 8536 76.670 78.422 23.562 1.00 0.00 WT7 H ATOM 55662 H2 TIP3 8536 76.579 79.913 23.313 1.00 0.00 WT7 H ATOM 55663 OH2 TIP3 8537 89.432 86.407 59.205 1.00 0.00 WT7 O ATOM 55664 H1 TIP3 8537 88.788 86.246 59.894 1.00 0.00 WT7 H ATOM 55665 H2 TIP3 8537 89.618 85.540 58.844 1.00 0.00 WT7 H ATOM 55666 OH2 TIP3 8549 62.613 91.255 -6.812 1.00 0.00 WT7 O ATOM 55667 H1 TIP3 8549 62.732 91.764 -7.614 1.00 0.00 WT7 H ATOM 55668 H2 TIP3 8549 63.270 91.601 -6.208 1.00 0.00 WT7 H ATOM 55669 OH2 TIP3 8556 61.993 15.646 18.295 1.00 0.00 WT7 O ATOM 55670 H1 TIP3 8556 62.407 14.819 18.542 1.00 0.00 WT7 H ATOM 55671 H2 TIP3 8556 62.696 16.293 18.357 1.00 0.00 WT7 H ATOM 55672 OH2 TIP3 8558 43.212 28.668 56.231 1.00 0.00 WT7 O ATOM 55673 H1 TIP3 8558 44.074 29.076 56.311 1.00 0.00 WT7 H ATOM 55674 H2 TIP3 8558 42.791 28.829 57.075 1.00 0.00 WT7 H ATOM 55675 OH2 TIP3 8560 58.831 4.633 65.748 1.00 0.00 WT7 O ATOM 55676 H1 TIP3 8560 58.918 4.268 66.629 1.00 0.00 WT7 H ATOM 55677 H2 TIP3 8560 59.560 4.252 65.258 1.00 0.00 WT7 H ATOM 55678 OH2 TIP3 8566 71.835 54.699 -12.003 1.00 0.00 WT7 O ATOM 55679 H1 TIP3 8566 71.000 55.070 -12.287 1.00 0.00 WT7 H ATOM 55680 H2 TIP3 8566 71.675 53.756 -11.956 1.00 0.00 WT7 H ATOM 55681 OH2 TIP3 8567 20.678 19.611 -3.210 1.00 0.00 WT7 O ATOM 55682 H1 TIP3 8567 19.833 19.784 -2.796 1.00 0.00 WT7 H ATOM 55683 H2 TIP3 8567 21.010 20.476 -3.449 1.00 0.00 WT7 H ATOM 55684 OH2 TIP3 8574 35.635 31.493 53.015 1.00 0.00 WT7 O ATOM 55685 H1 TIP3 8574 35.028 31.408 52.280 1.00 0.00 WT7 H ATOM 55686 H2 TIP3 8574 36.169 30.700 52.979 1.00 0.00 WT7 H ATOM 55687 OH2 TIP3 8585 82.486 8.573 54.485 1.00 0.00 WT7 O ATOM 55688 H1 TIP3 8585 82.095 9.422 54.692 1.00 0.00 WT7 H ATOM 55689 H2 TIP3 8585 83.093 8.407 55.206 1.00 0.00 WT7 H ATOM 55690 OH2 TIP3 8600 64.250 7.064 63.783 1.00 0.00 WT7 O ATOM 55691 H1 TIP3 8600 64.853 6.363 64.031 1.00 0.00 WT7 H ATOM 55692 H2 TIP3 8600 63.438 6.857 64.248 1.00 0.00 WT7 H ATOM 55693 OH2 TIP3 8626 65.208 2.291 32.183 1.00 0.00 WT7 O ATOM 55694 H1 TIP3 8626 65.566 3.121 32.499 1.00 0.00 WT7 H ATOM 55695 H2 TIP3 8626 65.629 2.156 31.334 1.00 0.00 WT7 H ATOM 55696 OH2 TIP3 8645 20.445 70.206 34.747 1.00 0.00 WT7 O ATOM 55697 H1 TIP3 8645 20.967 70.876 34.307 1.00 0.00 WT7 H ATOM 55698 H2 TIP3 8645 20.531 69.431 34.192 1.00 0.00 WT7 H ATOM 55699 OH2 TIP3 8813 32.794 30.827 60.855 1.00 0.00 WT7 O ATOM 55700 H1 TIP3 8813 32.800 29.877 60.970 1.00 0.00 WT7 H ATOM 55701 H2 TIP3 8813 32.221 30.974 60.102 1.00 0.00 WT7 H ATOM 55702 OH2 TIP3 8822 50.738 78.222 57.888 1.00 0.00 WT7 O ATOM 55703 H1 TIP3 8822 50.356 79.098 57.837 1.00 0.00 WT7 H ATOM 55704 H2 TIP3 8822 51.405 78.210 57.202 1.00 0.00 WT7 H ATOM 55705 OH2 TIP3 8824 85.370 85.294 55.545 1.00 0.00 WT7 O ATOM 55706 H1 TIP3 8824 85.633 84.430 55.229 1.00 0.00 WT7 H ATOM 55707 H2 TIP3 8824 86.140 85.625 56.008 1.00 0.00 WT7 H ATOM 55708 OH2 TIP3 8829 90.342 6.219 45.931 1.00 0.00 WT7 O ATOM 55709 H1 TIP3 8829 89.868 5.519 46.380 1.00 0.00 WT7 H ATOM 55710 H2 TIP3 8829 91.233 5.883 45.836 1.00 0.00 WT7 H ATOM 55711 OH2 TIP3 8833 34.966 44.317 54.948 1.00 0.00 WT7 O ATOM 55712 H1 TIP3 8833 35.862 44.085 55.193 1.00 0.00 WT7 H ATOM 55713 H2 TIP3 8833 34.998 45.261 54.788 1.00 0.00 WT7 H ATOM 55714 OH2 TIP3 8838 65.551 8.017 45.913 1.00 0.00 WT7 O ATOM 55715 H1 TIP3 8838 65.811 8.907 46.149 1.00 0.00 WT7 H ATOM 55716 H2 TIP3 8838 66.367 7.517 45.924 1.00 0.00 WT7 H ATOM 55717 OH2 TIP3 8845 47.056 66.458 0.701 1.00 0.00 WT7 O ATOM 55718 H1 TIP3 8845 47.592 65.977 1.332 1.00 0.00 WT7 H ATOM 55719 H2 TIP3 8845 46.826 65.809 0.036 1.00 0.00 WT7 H ATOM 55720 OH2 TIP3 8855 34.894 19.176 55.711 1.00 0.00 WT7 O ATOM 55721 H1 TIP3 8855 35.113 20.002 56.142 1.00 0.00 WT7 H ATOM 55722 H2 TIP3 8855 34.227 18.782 56.273 1.00 0.00 WT7 H ATOM 55723 OH2 TIP3 8864 82.749 54.229 39.399 1.00 0.00 WT7 O ATOM 55724 H1 TIP3 8864 83.478 54.850 39.410 1.00 0.00 WT7 H ATOM 55725 H2 TIP3 8864 82.013 54.717 39.769 1.00 0.00 WT7 H ATOM 55726 OH2 TIP3 8870 61.661 2.572 16.064 1.00 0.00 WT7 O ATOM 55727 H1 TIP3 8870 62.398 3.072 15.715 1.00 0.00 WT7 H ATOM 55728 H2 TIP3 8870 62.057 1.963 16.688 1.00 0.00 WT7 H ATOM 55729 OH2 TIP3 8879 42.015 23.288 52.995 1.00 0.00 WT7 O ATOM 55730 H1 TIP3 8879 41.516 22.859 52.300 1.00 0.00 WT7 H ATOM 55731 H2 TIP3 8879 42.827 23.565 52.571 1.00 0.00 WT7 H ATOM 55732 OH2 TIP3 8892 24.801 3.280 66.941 1.00 0.00 WT7 O ATOM 55733 H1 TIP3 8892 24.505 3.722 66.145 1.00 0.00 WT7 H ATOM 55734 H2 TIP3 8892 24.335 3.725 67.649 1.00 0.00 WT7 H ATOM 55735 OH2 TIP3 8893 82.716 45.657 55.210 1.00 0.00 WT7 O ATOM 55736 H1 TIP3 8893 82.255 46.332 54.713 1.00 0.00 WT7 H ATOM 55737 H2 TIP3 8893 82.702 45.973 56.114 1.00 0.00 WT7 H ATOM 55738 OH2 TIP3 8894 51.891 11.788 12.730 1.00 0.00 WT7 O ATOM 55739 H1 TIP3 8894 52.174 12.107 11.873 1.00 0.00 WT7 H ATOM 55740 H2 TIP3 8894 52.567 11.162 12.989 1.00 0.00 WT7 H ATOM 55741 OH2 TIP3 8904 61.809 93.738 6.159 1.00 0.00 WT7 O ATOM 55742 H1 TIP3 8904 61.298 93.208 6.771 1.00 0.00 WT7 H ATOM 55743 H2 TIP3 8904 62.381 94.265 6.717 1.00 0.00 WT7 H ATOM 55744 OH2 TIP3 8920 72.286 44.303 35.966 1.00 0.00 WT7 O ATOM 55745 H1 TIP3 8920 71.443 44.651 35.677 1.00 0.00 WT7 H ATOM 55746 H2 TIP3 8920 72.099 43.890 36.809 1.00 0.00 WT7 H ATOM 55747 OH2 TIP3 8927 51.433 28.291 -15.635 1.00 0.00 WT7 O ATOM 55748 H1 TIP3 8927 51.348 28.149 -14.692 1.00 0.00 WT7 H ATOM 55749 H2 TIP3 8927 51.727 29.199 -15.716 1.00 0.00 WT7 H ATOM 55750 OH2 TIP3 8935 72.908 16.464 10.486 1.00 0.00 WT7 O ATOM 55751 H1 TIP3 8935 72.170 17.049 10.661 1.00 0.00 WT7 H ATOM 55752 H2 TIP3 8935 72.868 16.303 9.543 1.00 0.00 WT7 H ATOM 55753 OH2 TIP3 8937 53.598 72.410 30.760 1.00 0.00 WT7 O ATOM 55754 H1 TIP3 8937 52.809 72.023 30.383 1.00 0.00 WT7 H ATOM 55755 H2 TIP3 8937 53.898 71.767 31.403 1.00 0.00 WT7 H ATOM 55756 OH2 TIP3 8938 44.021 73.123 4.346 1.00 0.00 WT7 O ATOM 55757 H1 TIP3 8938 44.009 72.168 4.280 1.00 0.00 WT7 H ATOM 55758 H2 TIP3 8938 44.349 73.298 5.228 1.00 0.00 WT7 H ATOM 55759 OH2 TIP3 8939 26.931 11.292 -2.460 1.00 0.00 WT7 O ATOM 55760 H1 TIP3 8939 27.759 11.461 -2.009 1.00 0.00 WT7 H ATOM 55761 H2 TIP3 8939 26.513 12.150 -2.525 1.00 0.00 WT7 H ATOM 55762 OH2 TIP3 8942 22.533 93.866 17.025 1.00 0.00 WT7 O ATOM 55763 H1 TIP3 8942 22.521 94.799 17.238 1.00 0.00 WT7 H ATOM 55764 H2 TIP3 8942 23.225 93.779 16.369 1.00 0.00 WT7 H ATOM 55765 OH2 TIP3 8956 49.672 26.718 -17.713 1.00 0.00 WT7 O ATOM 55766 H1 TIP3 8956 50.171 27.250 -17.093 1.00 0.00 WT7 H ATOM 55767 H2 TIP3 8956 50.333 26.344 -18.295 1.00 0.00 WT7 H ATOM 55768 OH2 TIP3 8960 85.257 78.623 21.483 1.00 0.00 WT7 O ATOM 55769 H1 TIP3 8960 85.400 78.034 20.742 1.00 0.00 WT7 H ATOM 55770 H2 TIP3 8960 85.148 78.041 22.235 1.00 0.00 WT7 H ATOM 55771 OH2 TIP3 8972 80.582 44.222 65.043 1.00 0.00 WT7 O ATOM 55772 H1 TIP3 8972 80.700 43.314 64.761 1.00 0.00 WT7 H ATOM 55773 H2 TIP3 8972 79.801 44.518 64.576 1.00 0.00 WT7 H ATOM 55774 OH2 TIP3 8973 26.510 61.198 -17.931 1.00 0.00 WT7 O ATOM 55775 H1 TIP3 8973 27.101 61.250 -17.179 1.00 0.00 WT7 H ATOM 55776 H2 TIP3 8973 27.042 60.813 -18.628 1.00 0.00 WT7 H ATOM 55777 OH2 TIP3 8977 21.424 36.759 -6.076 1.00 0.00 WT7 O ATOM 55778 H1 TIP3 8977 21.749 37.358 -5.403 1.00 0.00 WT7 H ATOM 55779 H2 TIP3 8977 22.178 36.609 -6.647 1.00 0.00 WT7 H ATOM 55780 OH2 TIP3 8982 79.556 95.382 -14.387 1.00 0.00 WT7 O ATOM 55781 H1 TIP3 8982 80.041 96.198 -14.259 1.00 0.00 WT7 H ATOM 55782 H2 TIP3 8982 79.293 95.119 -13.505 1.00 0.00 WT7 H ATOM 55783 OH2 TIP3 8984 38.832 72.862 18.583 1.00 0.00 WT7 O ATOM 55784 H1 TIP3 8984 38.999 71.959 18.853 1.00 0.00 WT7 H ATOM 55785 H2 TIP3 8984 39.689 73.194 18.315 1.00 0.00 WT7 H ATOM 55786 OH2 TIP3 8988 67.790 90.781 52.103 1.00 0.00 WT7 O ATOM 55787 H1 TIP3 8988 68.444 91.310 52.560 1.00 0.00 WT7 H ATOM 55788 H2 TIP3 8988 68.010 89.878 52.330 1.00 0.00 WT7 H ATOM 55789 OH2 TIP3 9017 70.475 20.185 8.404 1.00 0.00 WT7 O ATOM 55790 H1 TIP3 9017 69.551 19.971 8.275 1.00 0.00 WT7 H ATOM 55791 H2 TIP3 9017 70.554 20.357 9.342 1.00 0.00 WT7 H ATOM 55792 OH2 TIP3 9022 71.247 19.689 5.889 1.00 0.00 WT7 O ATOM 55793 H1 TIP3 9022 71.050 19.700 6.825 1.00 0.00 WT7 H ATOM 55794 H2 TIP3 9022 71.081 20.585 5.598 1.00 0.00 WT7 H ATOM 55795 OH2 TIP3 9047 78.510 84.588 -12.306 1.00 0.00 WT7 O ATOM 55796 H1 TIP3 9047 77.631 84.332 -12.028 1.00 0.00 WT7 H ATOM 55797 H2 TIP3 9047 78.795 85.222 -11.649 1.00 0.00 WT7 H ATOM 55798 OH2 TIP3 9055 24.170 62.996 -18.881 1.00 0.00 WT7 O ATOM 55799 H1 TIP3 9055 23.675 62.863 -19.690 1.00 0.00 WT7 H ATOM 55800 H2 TIP3 9055 24.944 62.441 -18.980 1.00 0.00 WT7 H ATOM 55801 OH2 TIP3 9063 52.649 60.016 56.806 1.00 0.00 WT7 O ATOM 55802 H1 TIP3 9063 52.011 60.315 56.158 1.00 0.00 WT7 H ATOM 55803 H2 TIP3 9063 53.469 59.940 56.319 1.00 0.00 WT7 H ATOM 55804 OH2 TIP3 9068 20.188 41.334 -19.146 1.00 0.00 WT7 O ATOM 55805 H1 TIP3 9068 21.124 41.533 -19.128 1.00 0.00 WT7 H ATOM 55806 H2 TIP3 9068 19.897 41.470 -18.244 1.00 0.00 WT7 H ATOM 55807 OH2 TIP3 9096 66.389 41.320 -16.694 1.00 0.00 WT7 O ATOM 55808 H1 TIP3 9096 66.276 41.008 -17.592 1.00 0.00 WT7 H ATOM 55809 H2 TIP3 9096 65.560 41.116 -16.262 1.00 0.00 WT7 H ATOM 55810 OH2 TIP3 9178 44.242 77.523 55.946 1.00 0.00 WT7 O ATOM 55811 H1 TIP3 9178 43.618 78.101 56.387 1.00 0.00 WT7 H ATOM 55812 H2 TIP3 9178 43.723 76.760 55.690 1.00 0.00 WT7 H ATOM 55813 OH2 TIP3 9250 26.776 8.812 2.378 1.00 0.00 WT7 O ATOM 55814 H1 TIP3 9250 27.381 9.551 2.322 1.00 0.00 WT7 H ATOM 55815 H2 TIP3 9250 26.419 8.726 1.495 1.00 0.00 WT7 H ATOM 55816 OH2 TIP3 5 72.014 57.018 23.501 1.00 0.00 WT8 O ATOM 55817 H1 TIP3 5 71.944 56.326 22.844 1.00 0.00 WT8 H ATOM 55818 H2 TIP3 5 71.145 57.057 23.901 1.00 0.00 WT8 H ATOM 55819 OH2 TIP3 44 54.156 82.570 66.049 1.00 0.00 WT8 O ATOM 55820 H1 TIP3 44 54.124 82.160 66.913 1.00 0.00 WT8 H ATOM 55821 H2 TIP3 44 54.378 81.855 65.452 1.00 0.00 WT8 H ATOM 55822 OH2 TIP3 48 48.293 88.850 46.284 1.00 0.00 WT8 O ATOM 55823 H1 TIP3 48 47.472 88.536 46.662 1.00 0.00 WT8 H ATOM 55824 H2 TIP3 48 48.146 88.827 45.338 1.00 0.00 WT8 H ATOM 55825 OH2 TIP3 67 72.771 26.840 3.630 1.00 0.00 WT8 O ATOM 55826 H1 TIP3 67 73.716 26.897 3.489 1.00 0.00 WT8 H ATOM 55827 H2 TIP3 67 72.680 26.567 4.543 1.00 0.00 WT8 H ATOM 55828 OH2 TIP3 87 37.016 87.511 51.469 1.00 0.00 WT8 O ATOM 55829 H1 TIP3 87 36.214 87.747 51.936 1.00 0.00 WT8 H ATOM 55830 H2 TIP3 87 36.997 88.045 50.675 1.00 0.00 WT8 H ATOM 55831 OH2 TIP3 113 51.116 19.208 -19.356 1.00 0.00 WT8 O ATOM 55832 H1 TIP3 113 52.035 19.057 -19.575 1.00 0.00 WT8 H ATOM 55833 H2 TIP3 113 50.833 19.890 -19.966 1.00 0.00 WT8 H ATOM 55834 OH2 TIP3 149 63.540 94.799 13.071 1.00 0.00 WT8 O ATOM 55835 H1 TIP3 149 63.249 95.631 13.444 1.00 0.00 WT8 H ATOM 55836 H2 TIP3 149 63.064 94.134 13.568 1.00 0.00 WT8 H ATOM 55837 OH2 TIP3 150 89.676 44.194 55.214 1.00 0.00 WT8 O ATOM 55838 H1 TIP3 150 89.601 44.137 56.166 1.00 0.00 WT8 H ATOM 55839 H2 TIP3 150 90.606 44.354 55.055 1.00 0.00 WT8 H ATOM 55840 OH2 TIP3 167 61.018 58.609 30.266 1.00 0.00 WT8 O ATOM 55841 H1 TIP3 167 60.552 59.379 29.941 1.00 0.00 WT8 H ATOM 55842 H2 TIP3 167 60.624 57.874 29.797 1.00 0.00 WT8 H ATOM 55843 OH2 TIP3 175 68.999 70.365 40.213 1.00 0.00 WT8 O ATOM 55844 H1 TIP3 175 68.711 69.740 39.547 1.00 0.00 WT8 H ATOM 55845 H2 TIP3 175 69.539 70.994 39.734 1.00 0.00 WT8 H ATOM 55846 OH2 TIP3 237 70.612 35.388 5.235 1.00 0.00 WT8 O ATOM 55847 H1 TIP3 237 70.135 36.184 5.469 1.00 0.00 WT8 H ATOM 55848 H2 TIP3 237 70.329 34.741 5.881 1.00 0.00 WT8 H ATOM 55849 OH2 TIP3 449 85.957 81.450 39.600 1.00 0.00 WT8 O ATOM 55850 H1 TIP3 449 85.728 82.162 39.002 1.00 0.00 WT8 H ATOM 55851 H2 TIP3 449 85.154 80.937 39.681 1.00 0.00 WT8 H ATOM 55852 OH2 TIP3 485 28.291 10.215 31.490 1.00 0.00 WT8 O ATOM 55853 H1 TIP3 485 28.900 9.536 31.779 1.00 0.00 WT8 H ATOM 55854 H2 TIP3 485 27.728 10.371 32.248 1.00 0.00 WT8 H ATOM 55855 OH2 TIP3 486 34.327 82.933 58.794 1.00 0.00 WT8 O ATOM 55856 H1 TIP3 486 33.480 82.997 59.235 1.00 0.00 WT8 H ATOM 55857 H2 TIP3 486 34.107 82.746 57.881 1.00 0.00 WT8 H ATOM 55858 OH2 TIP3 489 32.867 63.176 13.496 1.00 0.00 WT8 O ATOM 55859 H1 TIP3 489 33.266 63.929 13.059 1.00 0.00 WT8 H ATOM 55860 H2 TIP3 489 32.804 63.436 14.414 1.00 0.00 WT8 H ATOM 55861 OH2 TIP3 503 41.738 24.684 4.200 1.00 0.00 WT8 O ATOM 55862 H1 TIP3 503 42.172 24.246 3.468 1.00 0.00 WT8 H ATOM 55863 H2 TIP3 503 42.392 25.298 4.534 1.00 0.00 WT8 H ATOM 55864 OH2 TIP3 506 25.586 67.024 6.089 1.00 0.00 WT8 O ATOM 55865 H1 TIP3 506 25.643 67.521 6.905 1.00 0.00 WT8 H ATOM 55866 H2 TIP3 506 24.652 66.851 5.977 1.00 0.00 WT8 H ATOM 55867 OH2 TIP3 509 63.542 41.001 -17.294 1.00 0.00 WT8 O ATOM 55868 H1 TIP3 509 62.989 40.234 -17.442 1.00 0.00 WT8 H ATOM 55869 H2 TIP3 509 63.055 41.727 -17.684 1.00 0.00 WT8 H ATOM 55870 OH2 TIP3 511 38.503 71.347 -3.823 1.00 0.00 WT8 O ATOM 55871 H1 TIP3 511 38.885 71.784 -3.062 1.00 0.00 WT8 H ATOM 55872 H2 TIP3 511 38.099 70.555 -3.468 1.00 0.00 WT8 H ATOM 55873 OH2 TIP3 548 61.872 51.140 41.449 1.00 0.00 WT8 O ATOM 55874 H1 TIP3 548 61.035 51.594 41.543 1.00 0.00 WT8 H ATOM 55875 H2 TIP3 548 62.528 51.787 41.710 1.00 0.00 WT8 H ATOM 55876 OH2 TIP3 550 90.505 92.271 31.603 1.00 0.00 WT8 O ATOM 55877 H1 TIP3 550 90.307 91.470 31.117 1.00 0.00 WT8 H ATOM 55878 H2 TIP3 550 90.763 92.902 30.931 1.00 0.00 WT8 H ATOM 55879 OH2 TIP3 551 53.581 77.688 65.576 1.00 0.00 WT8 O ATOM 55880 H1 TIP3 551 52.677 77.884 65.331 1.00 0.00 WT8 H ATOM 55881 H2 TIP3 551 54.108 78.071 64.875 1.00 0.00 WT8 H ATOM 55882 OH2 TIP3 562 74.571 66.528 -15.157 1.00 0.00 WT8 O ATOM 55883 H1 TIP3 562 74.111 67.303 -15.482 1.00 0.00 WT8 H ATOM 55884 H2 TIP3 562 74.147 66.329 -14.323 1.00 0.00 WT8 H ATOM 55885 OH2 TIP3 573 42.491 0.561 -9.244 1.00 0.00 WT8 O ATOM 55886 H1 TIP3 573 42.800 1.381 -9.630 1.00 0.00 WT8 H ATOM 55887 H2 TIP3 573 43.272 0.171 -8.853 1.00 0.00 WT8 H ATOM 55888 OH2 TIP3 575 71.335 7.610 52.594 1.00 0.00 WT8 O ATOM 55889 H1 TIP3 575 70.692 8.286 52.380 1.00 0.00 WT8 H ATOM 55890 H2 TIP3 575 70.810 6.850 52.844 1.00 0.00 WT8 H ATOM 55891 OH2 TIP3 584 39.553 94.564 26.290 1.00 0.00 WT8 O ATOM 55892 H1 TIP3 584 39.974 94.990 25.544 1.00 0.00 WT8 H ATOM 55893 H2 TIP3 584 40.247 94.486 26.944 1.00 0.00 WT8 H ATOM 55894 OH2 TIP3 591 68.632 60.265 57.994 1.00 0.00 WT8 O ATOM 55895 H1 TIP3 591 69.441 59.893 58.344 1.00 0.00 WT8 H ATOM 55896 H2 TIP3 591 68.507 61.076 58.487 1.00 0.00 WT8 H ATOM 55897 OH2 TIP3 593 70.905 28.735 33.224 1.00 0.00 WT8 O ATOM 55898 H1 TIP3 593 71.471 29.258 33.792 1.00 0.00 WT8 H ATOM 55899 H2 TIP3 593 71.348 27.890 33.155 1.00 0.00 WT8 H ATOM 55900 OH2 TIP3 594 29.967 20.778 -9.403 1.00 0.00 WT8 O ATOM 55901 H1 TIP3 594 30.590 21.446 -9.117 1.00 0.00 WT8 H ATOM 55902 H2 TIP3 594 29.605 20.423 -8.590 1.00 0.00 WT8 H ATOM 55903 OH2 TIP3 822 76.114 62.584 54.138 1.00 0.00 WT8 O ATOM 55904 H1 TIP3 822 75.297 62.444 54.616 1.00 0.00 WT8 H ATOM 55905 H2 TIP3 822 76.274 61.755 53.688 1.00 0.00 WT8 H ATOM 55906 OH2 TIP3 892 28.260 51.573 37.114 1.00 0.00 WT8 O ATOM 55907 H1 TIP3 892 28.663 52.441 37.099 1.00 0.00 WT8 H ATOM 55908 H2 TIP3 892 27.368 51.717 36.800 1.00 0.00 WT8 H ATOM 55909 OH2 TIP3 908 45.214 50.625 5.181 1.00 0.00 WT8 O ATOM 55910 H1 TIP3 908 45.684 51.186 5.798 1.00 0.00 WT8 H ATOM 55911 H2 TIP3 908 45.337 49.739 5.520 1.00 0.00 WT8 H ATOM 55912 OH2 TIP3 928 70.992 84.779 25.058 1.00 0.00 WT8 O ATOM 55913 H1 TIP3 928 70.235 84.738 24.473 1.00 0.00 WT8 H ATOM 55914 H2 TIP3 928 71.549 84.053 24.780 1.00 0.00 WT8 H ATOM 55915 OH2 TIP3 930 32.556 49.221 49.826 1.00 0.00 WT8 O ATOM 55916 H1 TIP3 930 32.076 48.696 50.466 1.00 0.00 WT8 H ATOM 55917 H2 TIP3 930 32.527 48.704 49.021 1.00 0.00 WT8 H ATOM 55918 OH2 TIP3 987 54.729 76.425 61.594 1.00 0.00 WT8 O ATOM 55919 H1 TIP3 987 54.751 76.840 62.456 1.00 0.00 WT8 H ATOM 55920 H2 TIP3 987 53.943 75.878 61.611 1.00 0.00 WT8 H ATOM 55921 OH2 TIP3 993 70.230 9.841 47.505 1.00 0.00 WT8 O ATOM 55922 H1 TIP3 993 70.120 9.917 48.453 1.00 0.00 WT8 H ATOM 55923 H2 TIP3 993 69.778 10.605 47.149 1.00 0.00 WT8 H ATOM 55924 OH2 TIP3 1013 73.516 13.289 3.818 1.00 0.00 WT8 O ATOM 55925 H1 TIP3 1013 73.859 12.406 3.682 1.00 0.00 WT8 H ATOM 55926 H2 TIP3 1013 73.983 13.829 3.180 1.00 0.00 WT8 H ATOM 55927 OH2 TIP3 1018 48.210 81.711 -10.523 1.00 0.00 WT8 O ATOM 55928 H1 TIP3 1018 47.613 81.897 -9.798 1.00 0.00 WT8 H ATOM 55929 H2 TIP3 1018 48.758 82.493 -10.590 1.00 0.00 WT8 H ATOM 55930 OH2 TIP3 1076 28.247 3.534 59.062 1.00 0.00 WT8 O ATOM 55931 H1 TIP3 1076 28.839 4.121 59.532 1.00 0.00 WT8 H ATOM 55932 H2 TIP3 1076 28.232 2.736 59.591 1.00 0.00 WT8 H ATOM 55933 OH2 TIP3 1098 54.887 10.455 57.476 1.00 0.00 WT8 O ATOM 55934 H1 TIP3 1098 54.213 11.052 57.151 1.00 0.00 WT8 H ATOM 55935 H2 TIP3 1098 54.666 9.609 57.085 1.00 0.00 WT8 H ATOM 55936 OH2 TIP3 1122 60.224 83.818 53.280 1.00 0.00 WT8 O ATOM 55937 H1 TIP3 1122 60.894 83.993 53.941 1.00 0.00 WT8 H ATOM 55938 H2 TIP3 1122 59.656 83.161 53.681 1.00 0.00 WT8 H ATOM 55939 OH2 TIP3 1138 56.570 91.090 25.489 1.00 0.00 WT8 O ATOM 55940 H1 TIP3 1138 56.697 90.207 25.141 1.00 0.00 WT8 H ATOM 55941 H2 TIP3 1138 57.056 91.656 24.890 1.00 0.00 WT8 H ATOM 55942 OH2 TIP3 1301 87.330 73.388 32.340 1.00 0.00 WT8 O ATOM 55943 H1 TIP3 1301 87.202 74.337 32.360 1.00 0.00 WT8 H ATOM 55944 H2 TIP3 1301 86.455 73.031 32.190 1.00 0.00 WT8 H ATOM 55945 OH2 TIP3 1354 64.512 56.224 63.277 1.00 0.00 WT8 O ATOM 55946 H1 TIP3 1354 64.973 56.773 62.643 1.00 0.00 WT8 H ATOM 55947 H2 TIP3 1354 63.837 56.795 63.643 1.00 0.00 WT8 H ATOM 55948 OH2 TIP3 1370 78.984 38.707 51.284 1.00 0.00 WT8 O ATOM 55949 H1 TIP3 1370 79.586 38.545 50.557 1.00 0.00 WT8 H ATOM 55950 H2 TIP3 1370 78.624 37.845 51.494 1.00 0.00 WT8 H ATOM 55951 OH2 TIP3 1387 81.444 73.201 26.348 1.00 0.00 WT8 O ATOM 55952 H1 TIP3 1387 81.870 72.559 25.780 1.00 0.00 WT8 H ATOM 55953 H2 TIP3 1387 81.053 72.680 27.049 1.00 0.00 WT8 H ATOM 55954 OH2 TIP3 1408 66.664 23.905 -19.169 1.00 0.00 WT8 O ATOM 55955 H1 TIP3 1408 67.013 24.740 -18.856 1.00 0.00 WT8 H ATOM 55956 H2 TIP3 1408 67.410 23.475 -19.586 1.00 0.00 WT8 H ATOM 55957 OH2 TIP3 1414 38.423 92.076 64.631 1.00 0.00 WT8 O ATOM 55958 H1 TIP3 1414 39.077 91.440 64.922 1.00 0.00 WT8 H ATOM 55959 H2 TIP3 1414 38.802 92.927 64.848 1.00 0.00 WT8 H ATOM 55960 OH2 TIP3 1429 76.311 57.916 45.554 1.00 0.00 WT8 O ATOM 55961 H1 TIP3 1429 75.363 58.044 45.519 1.00 0.00 WT8 H ATOM 55962 H2 TIP3 1429 76.669 58.629 45.024 1.00 0.00 WT8 H ATOM 55963 OH2 TIP3 1433 90.090 10.394 53.439 1.00 0.00 WT8 O ATOM 55964 H1 TIP3 1433 90.490 11.259 53.527 1.00 0.00 WT8 H ATOM 55965 H2 TIP3 1433 89.177 10.524 53.698 1.00 0.00 WT8 H ATOM 55966 OH2 TIP3 1440 43.546 51.287 57.728 1.00 0.00 WT8 O ATOM 55967 H1 TIP3 1440 42.789 51.227 58.311 1.00 0.00 WT8 H ATOM 55968 H2 TIP3 1440 44.295 51.388 58.316 1.00 0.00 WT8 H ATOM 55969 OH2 TIP3 1451 31.743 24.240 11.193 1.00 0.00 WT8 O ATOM 55970 H1 TIP3 1451 32.467 24.863 11.131 1.00 0.00 WT8 H ATOM 55971 H2 TIP3 1451 32.167 23.392 11.325 1.00 0.00 WT8 H ATOM 55972 OH2 TIP3 1480 74.053 34.515 11.844 1.00 0.00 WT8 O ATOM 55973 H1 TIP3 1480 73.824 34.971 12.654 1.00 0.00 WT8 H ATOM 55974 H2 TIP3 1480 73.666 33.645 11.942 1.00 0.00 WT8 H ATOM 55975 OH2 TIP3 1573 66.069 69.094 34.951 1.00 0.00 WT8 O ATOM 55976 H1 TIP3 1573 65.201 69.173 34.554 1.00 0.00 WT8 H ATOM 55977 H2 TIP3 1573 66.277 68.162 34.889 1.00 0.00 WT8 H ATOM 55978 OH2 TIP3 1618 60.428 2.420 64.834 1.00 0.00 WT8 O ATOM 55979 H1 TIP3 1618 61.124 3.050 65.022 1.00 0.00 WT8 H ATOM 55980 H2 TIP3 1618 60.775 1.582 65.138 1.00 0.00 WT8 H ATOM 55981 OH2 TIP3 1725 51.791 24.273 56.166 1.00 0.00 WT8 O ATOM 55982 H1 TIP3 1725 51.872 23.989 57.077 1.00 0.00 WT8 H ATOM 55983 H2 TIP3 1725 52.487 23.804 55.705 1.00 0.00 WT8 H ATOM 55984 OH2 TIP3 1733 45.798 68.173 -19.063 1.00 0.00 WT8 O ATOM 55985 H1 TIP3 1733 46.276 67.912 -19.850 1.00 0.00 WT8 H ATOM 55986 H2 TIP3 1733 46.438 68.663 -18.546 1.00 0.00 WT8 H ATOM 55987 OH2 TIP3 1771 36.856 53.272 54.635 1.00 0.00 WT8 O ATOM 55988 H1 TIP3 1771 36.334 52.471 54.689 1.00 0.00 WT8 H ATOM 55989 H2 TIP3 1771 36.229 53.950 54.382 1.00 0.00 WT8 H ATOM 55990 OH2 TIP3 1849 28.506 74.959 51.929 1.00 0.00 WT8 O ATOM 55991 H1 TIP3 1849 28.546 75.374 52.790 1.00 0.00 WT8 H ATOM 55992 H2 TIP3 1849 27.611 74.625 51.865 1.00 0.00 WT8 H ATOM 55993 OH2 TIP3 1853 36.387 63.512 62.510 1.00 0.00 WT8 O ATOM 55994 H1 TIP3 1853 37.160 63.243 62.013 1.00 0.00 WT8 H ATOM 55995 H2 TIP3 1853 36.739 63.971 63.273 1.00 0.00 WT8 H ATOM 55996 OH2 TIP3 1897 90.093 57.412 -12.203 1.00 0.00 WT8 O ATOM 55997 H1 TIP3 1897 90.139 56.546 -12.608 1.00 0.00 WT8 H ATOM 55998 H2 TIP3 1897 90.154 57.241 -11.263 1.00 0.00 WT8 H ATOM 55999 OH2 TIP3 2231 45.129 37.572 12.783 1.00 0.00 WT8 O ATOM 56000 H1 TIP3 2231 44.881 36.649 12.726 1.00 0.00 WT8 H ATOM 56001 H2 TIP3 2231 45.200 37.744 13.722 1.00 0.00 WT8 H ATOM 56002 OH2 TIP3 2270 34.075 35.168 50.210 1.00 0.00 WT8 O ATOM 56003 H1 TIP3 2270 33.653 36.027 50.195 1.00 0.00 WT8 H ATOM 56004 H2 TIP3 2270 34.470 35.110 51.079 1.00 0.00 WT8 H ATOM 56005 OH2 TIP3 2288 51.224 74.884 -9.021 1.00 0.00 WT8 O ATOM 56006 H1 TIP3 2288 50.357 75.126 -9.348 1.00 0.00 WT8 H ATOM 56007 H2 TIP3 2288 51.834 75.350 -9.593 1.00 0.00 WT8 H ATOM 56008 OH2 TIP3 2293 41.346 92.470 -15.496 1.00 0.00 WT8 O ATOM 56009 H1 TIP3 2293 41.029 92.262 -16.375 1.00 0.00 WT8 H ATOM 56010 H2 TIP3 2293 42.144 91.951 -15.399 1.00 0.00 WT8 H ATOM 56011 OH2 TIP3 2317 78.812 50.258 -4.688 1.00 0.00 WT8 O ATOM 56012 H1 TIP3 2317 77.940 50.553 -4.948 1.00 0.00 WT8 H ATOM 56013 H2 TIP3 2317 78.934 50.616 -3.808 1.00 0.00 WT8 H ATOM 56014 OH2 TIP3 2357 51.122 70.494 59.912 1.00 0.00 WT8 O ATOM 56015 H1 TIP3 2357 51.453 71.084 60.589 1.00 0.00 WT8 H ATOM 56016 H2 TIP3 2357 51.865 70.362 59.324 1.00 0.00 WT8 H ATOM 56017 OH2 TIP3 2358 66.137 69.124 -19.252 1.00 0.00 WT8 O ATOM 56018 H1 TIP3 2358 65.684 69.465 -20.023 1.00 0.00 WT8 H ATOM 56019 H2 TIP3 2358 66.533 69.895 -18.846 1.00 0.00 WT8 H ATOM 56020 OH2 TIP3 2714 37.100 26.996 50.588 1.00 0.00 WT8 O ATOM 56021 H1 TIP3 2714 37.986 26.634 50.592 1.00 0.00 WT8 H ATOM 56022 H2 TIP3 2714 36.593 26.397 51.136 1.00 0.00 WT8 H ATOM 56023 OH2 TIP3 5421 35.240 63.489 -6.323 1.00 0.00 WT8 O ATOM 56024 H1 TIP3 5421 35.623 64.321 -6.601 1.00 0.00 WT8 H ATOM 56025 H2 TIP3 5421 35.031 63.618 -5.398 1.00 0.00 WT8 H ATOM 56026 OH2 TIP3 6240 84.134 60.290 -19.331 1.00 0.00 WT8 O ATOM 56027 H1 TIP3 6240 84.293 59.350 -19.412 1.00 0.00 WT8 H ATOM 56028 H2 TIP3 6240 84.689 60.565 -18.601 1.00 0.00 WT8 H ATOM 56029 OH2 TIP3 6350 52.141 82.031 32.252 1.00 0.00 WT8 O ATOM 56030 H1 TIP3 6350 51.941 82.007 31.316 1.00 0.00 WT8 H ATOM 56031 H2 TIP3 6350 51.692 81.267 32.613 1.00 0.00 WT8 H ATOM 56032 OH2 TIP3 6671 88.092 74.864 46.075 1.00 0.00 WT8 O ATOM 56033 H1 TIP3 6671 87.331 75.356 45.768 1.00 0.00 WT8 H ATOM 56034 H2 TIP3 6671 88.409 74.401 45.300 1.00 0.00 WT8 H ATOM 56035 OH2 TIP3 7563 88.088 19.117 40.007 1.00 0.00 WT8 O ATOM 56036 H1 TIP3 7563 87.696 18.360 40.442 1.00 0.00 WT8 H ATOM 56037 H2 TIP3 7563 88.667 18.739 39.345 1.00 0.00 WT8 H ATOM 56038 OH2 TIP3 7583 37.131 35.183 31.109 1.00 0.00 WT8 O ATOM 56039 H1 TIP3 7583 38.069 35.194 30.920 1.00 0.00 WT8 H ATOM 56040 H2 TIP3 7583 36.725 35.573 30.335 1.00 0.00 WT8 H ATOM 56041 OH2 TIP3 7607 24.980 40.105 30.331 1.00 0.00 WT8 O ATOM 56042 H1 TIP3 7607 25.708 39.540 30.590 1.00 0.00 WT8 H ATOM 56043 H2 TIP3 7607 25.274 40.990 30.548 1.00 0.00 WT8 H ATOM 56044 OH2 TIP3 7630 23.699 59.633 21.194 1.00 0.00 WT8 O ATOM 56045 H1 TIP3 7630 23.469 59.925 22.076 1.00 0.00 WT8 H ATOM 56046 H2 TIP3 7630 24.138 58.793 21.326 1.00 0.00 WT8 H ATOM 56047 OH2 TIP3 7631 75.516 42.909 -16.308 1.00 0.00 WT8 O ATOM 56048 H1 TIP3 7631 75.163 43.702 -15.906 1.00 0.00 WT8 H ATOM 56049 H2 TIP3 7631 76.413 42.851 -15.980 1.00 0.00 WT8 H ATOM 56050 OH2 TIP3 7647 74.795 1.142 42.980 1.00 0.00 WT8 O ATOM 56051 H1 TIP3 7647 74.452 0.517 43.619 1.00 0.00 WT8 H ATOM 56052 H2 TIP3 7647 75.598 1.476 43.379 1.00 0.00 WT8 H ATOM 56053 OH2 TIP3 7650 56.697 11.796 -5.688 1.00 0.00 WT8 O ATOM 56054 H1 TIP3 7650 57.442 11.209 -5.554 1.00 0.00 WT8 H ATOM 56055 H2 TIP3 7650 56.014 11.451 -5.113 1.00 0.00 WT8 H ATOM 56056 OH2 TIP3 7707 82.642 60.586 22.033 1.00 0.00 WT8 O ATOM 56057 H1 TIP3 7707 81.767 60.349 22.342 1.00 0.00 WT8 H ATOM 56058 H2 TIP3 7707 82.500 61.351 21.476 1.00 0.00 WT8 H ATOM 56059 OH2 TIP3 7961 32.081 60.857 35.715 1.00 0.00 WT8 O ATOM 56060 H1 TIP3 7961 32.382 61.313 36.501 1.00 0.00 WT8 H ATOM 56061 H2 TIP3 7961 32.882 60.668 35.226 1.00 0.00 WT8 H ATOM 56062 OH2 TIP3 7985 25.962 25.854 46.265 1.00 0.00 WT8 O ATOM 56063 H1 TIP3 7985 26.261 26.686 45.898 1.00 0.00 WT8 H ATOM 56064 H2 TIP3 7985 25.209 25.611 45.726 1.00 0.00 WT8 H ATOM 56065 OH2 TIP3 8023 38.920 5.314 44.770 1.00 0.00 WT8 O ATOM 56066 H1 TIP3 8023 38.716 5.895 45.503 1.00 0.00 WT8 H ATOM 56067 H2 TIP3 8023 39.864 5.409 44.644 1.00 0.00 WT8 H ATOM 56068 OH2 TIP3 8024 24.200 63.095 21.329 1.00 0.00 WT8 O ATOM 56069 H1 TIP3 8024 24.891 63.130 21.990 1.00 0.00 WT8 H ATOM 56070 H2 TIP3 8024 23.423 62.811 21.809 1.00 0.00 WT8 H ATOM 56071 OH2 TIP3 8046 67.649 89.195 46.254 1.00 0.00 WT8 O ATOM 56072 H1 TIP3 8046 66.949 89.058 45.616 1.00 0.00 WT8 H ATOM 56073 H2 TIP3 8046 67.268 88.928 47.090 1.00 0.00 WT8 H ATOM 56074 OH2 TIP3 8064 25.101 32.786 10.486 1.00 0.00 WT8 O ATOM 56075 H1 TIP3 8064 25.837 33.375 10.646 1.00 0.00 WT8 H ATOM 56076 H2 TIP3 8064 25.134 32.158 11.208 1.00 0.00 WT8 H ATOM 56077 OH2 TIP3 8067 49.392 20.359 -9.901 1.00 0.00 WT8 O ATOM 56078 H1 TIP3 8067 49.545 20.026 -10.785 1.00 0.00 WT8 H ATOM 56079 H2 TIP3 8067 49.013 19.618 -9.428 1.00 0.00 WT8 H ATOM 56080 OH2 TIP3 8068 51.246 27.411 62.151 1.00 0.00 WT8 O ATOM 56081 H1 TIP3 8068 50.668 28.147 61.949 1.00 0.00 WT8 H ATOM 56082 H2 TIP3 8068 51.817 27.338 61.386 1.00 0.00 WT8 H ATOM 56083 OH2 TIP3 8174 79.976 51.306 56.356 1.00 0.00 WT8 O ATOM 56084 H1 TIP3 8174 79.068 51.367 56.652 1.00 0.00 WT8 H ATOM 56085 H2 TIP3 8174 79.913 51.207 55.406 1.00 0.00 WT8 H ATOM 56086 OH2 TIP3 8403 38.458 11.170 34.063 1.00 0.00 WT8 O ATOM 56087 H1 TIP3 8403 37.912 11.241 33.280 1.00 0.00 WT8 H ATOM 56088 H2 TIP3 8403 38.297 11.983 34.543 1.00 0.00 WT8 H ATOM 56089 OH2 TIP3 8411 84.130 70.278 45.905 1.00 0.00 WT8 O ATOM 56090 H1 TIP3 8411 84.029 70.451 44.969 1.00 0.00 WT8 H ATOM 56091 H2 TIP3 8411 84.007 71.131 46.321 1.00 0.00 WT8 H ATOM 56092 OH2 TIP3 8425 49.595 71.297 47.486 1.00 0.00 WT8 O ATOM 56093 H1 TIP3 8425 49.999 70.433 47.399 1.00 0.00 WT8 H ATOM 56094 H2 TIP3 8425 49.732 71.712 46.634 1.00 0.00 WT8 H ATOM 56095 OH2 TIP3 8466 68.557 3.355 -8.521 1.00 0.00 WT8 O ATOM 56096 H1 TIP3 8466 68.114 2.671 -9.024 1.00 0.00 WT8 H ATOM 56097 H2 TIP3 8466 69.186 2.882 -7.976 1.00 0.00 WT8 H ATOM 56098 OH2 TIP3 8468 21.161 95.950 42.595 1.00 0.00 WT8 O ATOM 56099 H1 TIP3 8468 21.990 96.391 42.780 1.00 0.00 WT8 H ATOM 56100 H2 TIP3 8468 21.406 95.041 42.422 1.00 0.00 WT8 H ATOM 56101 OH2 TIP3 8534 64.368 32.697 41.437 1.00 0.00 WT8 O ATOM 56102 H1 TIP3 8534 63.618 32.455 40.892 1.00 0.00 WT8 H ATOM 56103 H2 TIP3 8534 64.386 33.654 41.408 1.00 0.00 WT8 H ATOM 56104 OH2 TIP3 8536 64.142 2.621 62.901 1.00 0.00 WT8 O ATOM 56105 H1 TIP3 8536 64.279 2.299 62.010 1.00 0.00 WT8 H ATOM 56106 H2 TIP3 8536 64.407 1.892 63.462 1.00 0.00 WT8 H ATOM 56107 OH2 TIP3 8549 86.253 74.907 -6.608 1.00 0.00 WT8 O ATOM 56108 H1 TIP3 8549 85.578 75.578 -6.702 1.00 0.00 WT8 H ATOM 56109 H2 TIP3 8549 86.885 75.286 -5.998 1.00 0.00 WT8 H ATOM 56110 OH2 TIP3 8556 28.519 75.308 -14.289 1.00 0.00 WT8 O ATOM 56111 H1 TIP3 8556 29.260 74.740 -14.503 1.00 0.00 WT8 H ATOM 56112 H2 TIP3 8556 28.694 75.605 -13.396 1.00 0.00 WT8 H ATOM 56113 OH2 TIP3 8558 82.917 72.719 -5.714 1.00 0.00 WT8 O ATOM 56114 H1 TIP3 8558 82.964 71.798 -5.972 1.00 0.00 WT8 H ATOM 56115 H2 TIP3 8558 83.590 72.815 -5.041 1.00 0.00 WT8 H ATOM 56116 OH2 TIP3 8574 70.807 89.317 19.561 1.00 0.00 WT8 O ATOM 56117 H1 TIP3 8574 69.855 89.373 19.644 1.00 0.00 WT8 H ATOM 56118 H2 TIP3 8574 70.984 88.381 19.467 1.00 0.00 WT8 H ATOM 56119 OH2 TIP3 8780 27.782 78.639 38.265 1.00 0.00 WT8 O ATOM 56120 H1 TIP3 8780 27.058 79.031 37.777 1.00 0.00 WT8 H ATOM 56121 H2 TIP3 8780 28.505 78.610 37.638 1.00 0.00 WT8 H ATOM 56122 OH2 TIP3 8822 77.702 48.977 60.017 1.00 0.00 WT8 O ATOM 56123 H1 TIP3 8822 76.903 48.948 59.490 1.00 0.00 WT8 H ATOM 56124 H2 TIP3 8822 77.921 49.907 60.070 1.00 0.00 WT8 H ATOM 56125 OH2 TIP3 8845 43.539 49.603 -15.697 1.00 0.00 WT8 O ATOM 56126 H1 TIP3 8845 44.230 50.018 -16.214 1.00 0.00 WT8 H ATOM 56127 H2 TIP3 8845 43.637 49.977 -14.821 1.00 0.00 WT8 H ATOM 56128 OH2 TIP3 8927 32.415 20.622 -7.091 1.00 0.00 WT8 O ATOM 56129 H1 TIP3 8927 32.642 20.561 -6.163 1.00 0.00 WT8 H ATOM 56130 H2 TIP3 8927 32.736 21.482 -7.361 1.00 0.00 WT8 H ATOM 56131 OH2 TIP3 8935 63.759 57.942 31.151 1.00 0.00 WT8 O ATOM 56132 H1 TIP3 8935 63.301 57.203 30.750 1.00 0.00 WT8 H ATOM 56133 H2 TIP3 8935 63.315 58.716 30.805 1.00 0.00 WT8 H ATOM 56134 OH2 TIP3 8972 49.894 91.487 6.236 1.00 0.00 WT8 O ATOM 56135 H1 TIP3 8972 49.552 92.113 6.874 1.00 0.00 WT8 H ATOM 56136 H2 TIP3 8972 49.928 90.656 6.709 1.00 0.00 WT8 H ATOM 56137 OH2 TIP3 8973 46.068 8.454 -7.511 1.00 0.00 WT8 O ATOM 56138 H1 TIP3 8973 46.273 9.389 -7.533 1.00 0.00 WT8 H ATOM 56139 H2 TIP3 8973 45.180 8.395 -7.862 1.00 0.00 WT8 H ATOM 56140 OH2 TIP3 8977 33.030 64.963 58.177 1.00 0.00 WT8 O ATOM 56141 H1 TIP3 8977 32.147 65.253 58.407 1.00 0.00 WT8 H ATOM 56142 H2 TIP3 8977 32.897 64.147 57.695 1.00 0.00 WT8 H ATOM 56143 OH2 TIP3 8988 30.040 79.479 66.940 1.00 0.00 WT8 O ATOM 56144 H1 TIP3 8988 29.835 79.929 66.120 1.00 0.00 WT8 H ATOM 56145 H2 TIP3 8988 30.841 78.989 66.752 1.00 0.00 WT8 H ATOM 56146 OH2 TIP3 9055 33.901 75.764 55.638 1.00 0.00 WT8 O ATOM 56147 H1 TIP3 9055 33.462 76.509 56.049 1.00 0.00 WT8 H ATOM 56148 H2 TIP3 9055 34.574 76.158 55.083 1.00 0.00 WT8 H ATOM 56149 OH2 TIP3 9096 73.972 45.241 46.487 1.00 0.00 WT8 O ATOM 56150 H1 TIP3 9096 74.491 44.446 46.369 1.00 0.00 WT8 H ATOM 56151 H2 TIP3 9096 73.855 45.585 45.601 1.00 0.00 WT8 H ATOM 56152 OH2 TIP3 9250 83.259 6.592 35.269 1.00 0.00 WT8 O ATOM 56153 H1 TIP3 9250 82.359 6.707 35.576 1.00 0.00 WT8 H ATOM 56154 H2 TIP3 9250 83.242 5.768 34.782 1.00 0.00 WT8 H ATOM 56155 SOD SOD 1 83.214 73.155 3.412 1.00 0.00 ION NA ATOM 56156 SOD SOD 2 41.623 80.423 7.201 1.00 0.00 ION NA ATOM 56157 SOD SOD 3 59.182 65.989 66.099 1.00 0.00 ION NA ATOM 56158 SOD SOD 4 58.192 13.571 56.611 1.00 0.00 ION NA ATOM 56159 SOD SOD 5 79.741 20.073 66.921 1.00 0.00 ION NA ATOM 56160 SOD SOD 6 63.748 27.165 -6.928 1.00 0.00 ION NA ATOM 56161 SOD SOD 7 86.775 74.847 51.990 1.00 0.00 ION NA ATOM 56162 SOD SOD 8 69.035 33.459 28.821 1.00 0.00 ION NA ATOM 56163 SOD SOD 9 66.610 40.397 1.773 1.00 0.00 ION NA ATOM 56164 SOD SOD 10 67.141 27.041 11.310 1.00 0.00 ION NA ATOM 56165 SOD SOD 11 37.234 78.088 -18.710 1.00 0.00 ION NA ATOM 56166 SOD SOD 12 66.978 29.973 37.170 1.00 0.00 ION NA ATOM 56167 SOD SOD 13 67.216 1.729 12.703 1.00 0.00 ION NA ATOM 56168 SOD SOD 14 22.082 69.265 62.787 1.00 0.00 ION NA ATOM 56169 SOD SOD 15 21.213 77.562 45.004 1.00 0.00 ION NA ATOM 56170 SOD SOD 16 44.514 44.229 -8.984 1.00 0.00 ION NA ATOM 56171 SOD SOD 17 77.788 40.788 2.011 1.00 0.00 ION NA ATOM 56172 SOD SOD 18 33.125 28.217 34.788 1.00 0.00 ION NA ATOM 56173 SOD SOD 19 60.708 82.140 -13.793 1.00 0.00 ION NA ATOM 56174 SOD SOD 20 62.218 84.430 -0.025 1.00 0.00 ION NA ATOM 56175 SOD SOD 21 22.637 58.765 35.067 1.00 0.00 ION NA ATOM 56176 SOD SOD 22 57.733 73.679 55.234 1.00 0.00 ION NA ATOM 56177 SOD SOD 23 78.549 70.330 58.613 1.00 0.00 ION NA ATOM 56178 SOD SOD 24 37.928 32.955 2.616 1.00 0.00 ION NA ATOM 56179 SOD SOD 25 89.039 1.452 -3.096 1.00 0.00 ION NA ATOM 56180 SOD SOD 26 37.160 59.577 63.267 1.00 0.00 ION NA ATOM 56181 SOD SOD 27 76.617 87.959 -3.170 1.00 0.00 ION NA ATOM 56182 SOD SOD 28 54.343 95.456 -1.307 1.00 0.00 ION NA ATOM 56183 SOD SOD 29 68.029 43.009 49.593 1.00 0.00 ION NA ATOM 56184 SOD SOD 30 87.564 90.091 62.752 1.00 0.00 ION NA ATOM 56185 SOD SOD 31 44.404 19.344 63.647 1.00 0.00 ION NA ATOM 56186 SOD SOD 32 57.986 78.159 28.732 1.00 0.00 ION NA ATOM 56187 SOD SOD 33 77.145 17.669 57.540 1.00 0.00 ION NA ATOM 56188 SOD SOD 34 66.280 20.444 54.663 1.00 0.00 ION NA ATOM 56189 SOD SOD 35 73.410 79.929 5.013 1.00 0.00 ION NA ATOM 56190 SOD SOD 36 75.314 41.345 61.389 1.00 0.00 ION NA ATOM 56191 SOD SOD 37 77.477 89.766 58.108 1.00 0.00 ION NA ATOM 56192 SOD SOD 38 73.880 90.106 10.055 1.00 0.00 ION NA ATOM 56193 SOD SOD 39 34.218 92.462 30.430 1.00 0.00 ION NA ATOM 56194 SOD SOD 40 47.777 45.562 2.066 1.00 0.00 ION NA ATOM 56195 SOD SOD 41 42.548 37.126 66.480 1.00 0.00 ION NA ATOM 56196 SOD SOD 42 72.521 36.178 41.629 1.00 0.00 ION NA ATOM 56197 SOD SOD 43 61.590 21.912 65.548 1.00 0.00 ION NA ATOM 56198 SOD SOD 44 84.891 59.818 -10.708 1.00 0.00 ION NA ATOM 56199 SOD SOD 45 79.677 73.184 11.046 1.00 0.00 ION NA ATOM 56200 SOD SOD 46 76.268 74.234 -16.990 1.00 0.00 ION NA ATOM 56201 SOD SOD 47 76.223 80.618 14.674 1.00 0.00 ION NA ATOM 56202 SOD SOD 48 71.600 40.491 -16.385 1.00 0.00 ION NA ATOM 56203 SOD SOD 49 52.422 93.067 62.151 1.00 0.00 ION NA ATOM 56204 SOD SOD 50 23.459 84.870 3.757 1.00 0.00 ION NA ATOM 56205 SOD SOD 51 34.542 73.462 25.417 1.00 0.00 ION NA ATOM 56206 SOD SOD 52 41.038 6.879 35.259 1.00 0.00 ION NA ATOM 56207 SOD SOD 53 47.382 4.180 -5.393 1.00 0.00 ION NA ATOM 56208 SOD SOD 54 38.662 70.444 55.554 1.00 0.00 ION NA ATOM 56209 SOD SOD 55 78.547 48.537 32.608 1.00 0.00 ION NA ATOM 56210 SOD SOD 56 53.217 23.110 37.287 1.00 0.00 ION NA ATOM 56211 SOD SOD 57 86.069 35.450 -10.917 1.00 0.00 ION NA ATOM 56212 SOD SOD 58 55.099 14.478 -12.234 1.00 0.00 ION NA ATOM 56213 SOD SOD 59 88.140 72.995 -19.579 1.00 0.00 ION NA ATOM 56214 SOD SOD 60 67.359 45.470 63.969 1.00 0.00 ION NA ATOM 56215 SOD SOD 61 21.153 8.654 52.974 1.00 0.00 ION NA ATOM 56216 SOD SOD 62 25.916 48.381 38.176 1.00 0.00 ION NA ATOM 56217 SOD SOD 63 83.309 52.206 42.090 1.00 0.00 ION NA ATOM 56218 SOD SOD 64 56.697 14.619 22.361 1.00 0.00 ION NA ATOM 56219 SOD SOD 65 37.810 36.913 54.698 1.00 0.00 ION NA ATOM 56220 SOD SOD 66 86.851 8.170 38.431 1.00 0.00 ION NA ATOM 56221 SOD SOD 67 27.654 44.618 58.299 1.00 0.00 ION NA ATOM 56222 SOD SOD 68 29.176 34.028 42.392 1.00 0.00 ION NA ATOM 56223 SOD SOD 69 70.237 26.260 -15.960 1.00 0.00 ION NA ATOM 56224 SOD SOD 70 52.397 11.609 -3.764 1.00 0.00 ION NA ATOM 56225 SOD SOD 71 47.484 22.197 -18.887 1.00 0.00 ION NA ATOM 56226 SOD SOD 72 36.040 49.554 40.535 1.00 0.00 ION NA ATOM 56227 SOD SOD 73 31.978 56.499 42.683 1.00 0.00 ION NA ATOM 56228 SOD SOD 74 32.826 51.027 32.364 1.00 0.00 ION NA ATOM 56229 SOD SOD 75 25.686 7.282 6.921 1.00 0.00 ION NA ATOM 56230 SOD SOD 76 69.387 29.614 58.211 1.00 0.00 ION NA ATOM 56231 SOD SOD 77 89.950 92.824 45.832 1.00 0.00 ION NA ATOM 56232 SOD SOD 78 56.849 4.562 24.573 1.00 0.00 ION NA ATOM 56233 SOD SOD 79 22.669 28.831 54.334 1.00 0.00 ION NA ATOM 56234 SOD SOD 80 61.850 70.021 41.336 1.00 0.00 ION NA END