REMARK FINAL COORDINATES WRITTEN BY NAMD AT TIMESTEP 500 ATOM 1 H5T CYT A 8 43.531 47.808 28.953 1.00 0.00 SBOX ATOM 2 O5' CYT A 8 43.776 48.246 29.772 1.00 0.00 SBOX O ATOM 3 C5' CYT A 8 44.214 49.476 29.266 1.00 0.00 SBOX C ATOM 4 H5' CYT A 8 44.417 50.182 30.071 1.00 0.00 SBOX ATOM 5 H5'' CYT A 8 43.433 49.850 28.604 1.00 0.00 SBOX ATOM 6 C4' CYT A 8 45.471 49.423 28.417 1.00 0.00 SBOX C ATOM 7 H4' CYT A 8 45.414 50.295 27.764 1.00 0.00 SBOX ATOM 8 O4' CYT A 8 46.727 49.422 29.146 1.00 0.00 SBOX O ATOM 9 C1' CYT A 8 47.807 48.815 28.304 1.00 0.00 SBOX C ATOM 10 H1' CYT A 8 48.533 49.522 27.903 1.00 0.00 SBOX ATOM 11 N1 CYT A 8 48.587 47.856 29.183 1.00 0.00 SBOX N ATOM 12 C6 CYT A 8 48.111 46.725 29.726 1.00 0.00 SBOX C ATOM 13 H6 CYT A 8 47.062 46.497 29.608 1.00 0.00 SBOX ATOM 14 C5 CYT A 8 48.900 45.843 30.360 1.00 0.00 SBOX C ATOM 15 H5 CYT A 8 48.396 44.977 30.766 1.00 0.00 SBOX ATOM 16 C4 CYT A 8 50.315 46.203 30.546 1.00 0.00 SBOX C ATOM 17 N4 CYT A 8 51.176 45.429 31.124 1.00 0.00 SBOX N ATOM 18 H41 CYT A 8 52.114 45.789 31.015 1.00 0.00 SBOX ATOM 19 H42 CYT A 8 51.002 44.521 31.531 1.00 0.00 SBOX ATOM 20 N3 CYT A 8 50.853 47.193 30.027 1.00 0.00 SBOX N ATOM 21 C2 CYT A 8 50.064 48.024 29.269 1.00 0.00 SBOX C ATOM 22 O2 CYT A 8 50.613 48.965 28.690 1.00 0.00 SBOX O ATOM 23 C3' CYT A 8 45.657 48.185 27.600 1.00 0.00 SBOX C ATOM 24 H3' CYT A 8 45.444 47.315 28.222 1.00 0.00 SBOX ATOM 25 C2' CYT A 8 47.125 48.195 27.103 1.00 0.00 SBOX C ATOM 26 H2'' CYT A 8 47.501 47.230 26.764 1.00 0.00 SBOX ATOM 27 O2' CYT A 8 47.158 49.215 26.149 1.00 0.00 SBOX O ATOM 28 H2' CYT A 8 46.784 48.910 25.319 1.00 0.00 SBOX ATOM 29 O3' CYT A 8 44.729 48.159 26.571 1.00 0.00 SBOX O ATOM 30 P ADE A 9 43.814 46.865 26.353 1.00 0.00 SBOX P ATOM 31 O1P ADE A 9 44.670 45.682 26.172 1.00 0.00 SBOX ATOM 32 O2P ADE A 9 42.868 46.954 27.407 1.00 0.00 SBOX ATOM 33 O5' ADE A 9 43.110 47.174 24.963 1.00 0.00 SBOX O ATOM 34 C5' ADE A 9 43.691 47.161 23.707 1.00 0.00 SBOX C ATOM 35 H5' ADE A 9 44.177 46.195 23.568 1.00 0.00 SBOX ATOM 36 H5'' ADE A 9 44.338 48.034 23.625 1.00 0.00 SBOX ATOM 37 C4' ADE A 9 42.713 47.404 22.568 1.00 0.00 SBOX C ATOM 38 H4' ADE A 9 43.368 47.403 21.697 1.00 0.00 SBOX ATOM 39 O4' ADE A 9 41.582 46.587 22.406 1.00 0.00 SBOX O ATOM 40 C1' ADE A 9 40.486 47.166 23.151 1.00 0.00 SBOX C ATOM 41 H1' ADE A 9 39.636 47.223 22.471 1.00 0.00 SBOX ATOM 42 N9 ADE A 9 39.924 46.197 24.169 1.00 0.00 SBOX N ATOM 43 C8 ADE A 9 40.226 46.143 25.509 1.00 0.00 SBOX C ATOM 44 H8 ADE A 9 40.717 46.900 26.103 1.00 0.00 SBOX ATOM 45 N7 ADE A 9 39.815 45.054 26.082 1.00 0.00 SBOX N ATOM 46 C5 ADE A 9 39.198 44.403 24.998 1.00 0.00 SBOX C ATOM 47 C6 ADE A 9 38.646 43.120 24.831 1.00 0.00 SBOX C ATOM 48 N6 ADE A 9 38.583 42.213 25.784 1.00 0.00 SBOX N ATOM 49 H61 ADE A 9 38.189 41.324 25.509 1.00 0.00 SBOX ATOM 50 H62 ADE A 9 38.935 42.588 26.653 1.00 0.00 SBOX ATOM 51 N1 ADE A 9 38.301 42.648 23.647 1.00 0.00 SBOX N ATOM 52 C2 ADE A 9 38.339 43.443 22.623 1.00 0.00 SBOX C ATOM 53 H2 ADE A 9 37.967 42.989 21.716 1.00 0.00 SBOX ATOM 54 N3 ADE A 9 38.701 44.725 22.632 1.00 0.00 SBOX N ATOM 55 C4 ADE A 9 39.161 45.109 23.855 1.00 0.00 SBOX C ATOM 56 C3' ADE A 9 42.099 48.777 22.629 1.00 0.00 SBOX C ATOM 57 H3' ADE A 9 42.768 49.501 23.092 1.00 0.00 SBOX ATOM 58 C2' ADE A 9 40.838 48.604 23.480 1.00 0.00 SBOX C ATOM 59 H2'' ADE A 9 41.218 48.783 24.486 1.00 0.00 SBOX ATOM 60 O2' ADE A 9 39.732 49.414 23.092 1.00 0.00 SBOX O ATOM 61 H2' ADE A 9 40.128 50.200 22.709 1.00 0.00 SBOX ATOM 62 O3' ADE A 9 41.881 49.131 21.179 1.00 0.00 SBOX O ATOM 63 P ADE A 10 42.133 50.640 20.646 1.00 0.00 SBOX P ATOM 64 O1P ADE A 10 43.425 51.113 21.137 1.00 0.00 SBOX ATOM 65 O2P ADE A 10 41.888 50.525 19.249 1.00 0.00 SBOX ATOM 66 O5' ADE A 10 40.928 51.460 21.308 1.00 0.00 SBOX O ATOM 67 C5' ADE A 10 39.629 51.432 20.774 1.00 0.00 SBOX C ATOM 68 H5' ADE A 10 39.262 50.405 20.800 1.00 0.00 SBOX ATOM 69 H5'' ADE A 10 39.570 51.797 19.749 1.00 0.00 SBOX ATOM 70 C4' ADE A 10 38.623 52.277 21.526 1.00 0.00 SBOX C ATOM 71 H4' ADE A 10 37.610 51.997 21.238 1.00 0.00 SBOX ATOM 72 O4' ADE A 10 38.812 52.092 22.918 1.00 0.00 SBOX O ATOM 73 C1' ADE A 10 38.731 53.339 23.648 1.00 0.00 SBOX C ATOM 74 H1' ADE A 10 37.991 53.256 24.443 1.00 0.00 SBOX ATOM 75 N9 ADE A 10 39.998 53.680 24.245 1.00 0.00 SBOX N ATOM 76 C8 ADE A 10 41.057 52.921 24.322 1.00 0.00 SBOX C ATOM 77 H8 ADE A 10 41.123 51.995 23.770 1.00 0.00 SBOX ATOM 78 N7 ADE A 10 42.035 53.386 25.009 1.00 0.00 SBOX N ATOM 79 C5 ADE A 10 41.471 54.628 25.500 1.00 0.00 SBOX C ATOM 80 C6 ADE A 10 41.873 55.766 26.225 1.00 0.00 SBOX C ATOM 81 N6 ADE A 10 42.993 55.917 26.792 1.00 0.00 SBOX N ATOM 82 H61 ADE A 10 43.144 56.826 27.207 1.00 0.00 SBOX ATOM 83 H62 ADE A 10 43.694 55.192 26.735 1.00 0.00 SBOX ATOM 84 N1 ADE A 10 41.115 56.840 26.329 1.00 0.00 SBOX N ATOM 85 C2 ADE A 10 39.930 56.774 25.767 1.00 0.00 SBOX C ATOM 86 H2 ADE A 10 39.335 57.660 25.932 1.00 0.00 SBOX ATOM 87 N3 ADE A 10 39.360 55.838 25.146 1.00 0.00 SBOX N ATOM 88 C4 ADE A 10 40.220 54.780 25.024 1.00 0.00 SBOX C ATOM 89 C3' ADE A 10 38.656 53.760 21.215 1.00 0.00 SBOX C ATOM 90 H3' ADE A 10 39.641 53.938 20.784 1.00 0.00 SBOX ATOM 91 C2' ADE A 10 38.330 54.424 22.609 1.00 0.00 SBOX C ATOM 92 H2'' ADE A 10 38.923 55.337 22.675 1.00 0.00 SBOX ATOM 93 O2' ADE A 10 36.925 54.750 22.868 1.00 0.00 SBOX O ATOM 94 H2' ADE A 10 36.993 55.376 23.592 1.00 0.00 SBOX ATOM 95 O3' ADE A 10 37.678 54.144 20.267 1.00 0.00 SBOX O ATOM 96 P GUA A 11 38.013 55.199 19.159 1.00 0.00 SBOX P ATOM 97 O1P GUA A 11 39.071 54.626 18.291 1.00 0.00 SBOX ATOM 98 O2P GUA A 11 36.780 55.478 18.509 1.00 0.00 SBOX ATOM 99 O5' GUA A 11 38.391 56.541 19.902 1.00 0.00 SBOX O ATOM 100 C5' GUA A 11 37.517 57.364 20.670 1.00 0.00 SBOX C ATOM 101 H5' GUA A 11 37.101 56.736 21.458 1.00 0.00 SBOX ATOM 102 H5'' GUA A 11 36.638 57.736 20.143 1.00 0.00 SBOX ATOM 103 C4' GUA A 11 38.287 58.566 21.282 1.00 0.00 SBOX C ATOM 104 H4' GUA A 11 37.690 59.366 21.720 1.00 0.00 SBOX ATOM 105 O4' GUA A 11 39.047 58.128 22.451 1.00 0.00 SBOX O ATOM 106 C1' GUA A 11 40.187 58.942 22.514 1.00 0.00 SBOX C ATOM 107 H1' GUA A 11 40.121 59.458 23.472 1.00 0.00 SBOX ATOM 108 N9 GUA A 11 41.335 58.055 22.490 1.00 0.00 SBOX N ATOM 109 C8 GUA A 11 41.476 56.944 21.711 1.00 0.00 SBOX C ATOM 110 H8 GUA A 11 40.791 56.790 20.890 1.00 0.00 SBOX ATOM 111 N7 GUA A 11 42.506 56.233 21.973 1.00 0.00 SBOX N ATOM 112 C5 GUA A 11 43.173 56.900 22.984 1.00 0.00 SBOX C ATOM 113 C6 GUA A 11 44.273 56.582 23.821 1.00 0.00 SBOX C ATOM 114 O6 GUA A 11 44.977 55.548 24.001 1.00 0.00 SBOX O ATOM 115 N1 GUA A 11 44.640 57.571 24.762 1.00 0.00 SBOX N ATOM 116 H1 GUA A 11 45.493 57.425 25.283 1.00 0.00 SBOX ATOM 117 C2 GUA A 11 43.897 58.684 24.898 1.00 0.00 SBOX C ATOM 118 N2 GUA A 11 44.389 59.605 25.718 1.00 0.00 SBOX N ATOM 119 H21 GUA A 11 45.310 59.354 26.050 1.00 0.00 SBOX ATOM 120 H22 GUA A 11 43.985 60.505 25.934 1.00 0.00 SBOX ATOM 121 N3 GUA A 11 42.829 59.002 24.245 1.00 0.00 SBOX N ATOM 122 C4 GUA A 11 42.440 58.025 23.314 1.00 0.00 SBOX C ATOM 123 C3' GUA A 11 39.230 59.272 20.344 1.00 0.00 SBOX C ATOM 124 H3' GUA A 11 39.745 58.513 19.755 1.00 0.00 SBOX ATOM 125 C2' GUA A 11 40.164 59.933 21.372 1.00 0.00 SBOX C ATOM 126 H2'' GUA A 11 41.151 60.125 20.949 1.00 0.00 SBOX ATOM 127 O2' GUA A 11 39.570 61.024 21.981 1.00 0.00 SBOX O ATOM 128 H2' GUA A 11 40.194 61.474 22.555 1.00 0.00 SBOX ATOM 129 O3' GUA A 11 38.624 60.112 19.400 1.00 0.00 SBOX O ATOM 130 P ADE A 12 39.279 60.675 18.078 1.00 0.00 SBOX P ATOM 131 O1P ADE A 12 39.650 59.441 17.297 1.00 0.00 SBOX ATOM 132 O2P ADE A 12 38.257 61.607 17.635 1.00 0.00 SBOX ATOM 133 O5' ADE A 12 40.646 61.477 18.469 1.00 0.00 SBOX O ATOM 134 C5' ADE A 12 40.505 62.804 18.936 1.00 0.00 SBOX C ATOM 135 H5' ADE A 12 39.846 63.000 19.781 1.00 0.00 SBOX ATOM 136 H5'' ADE A 12 40.163 63.359 18.062 1.00 0.00 SBOX ATOM 137 C4' ADE A 12 41.875 63.436 19.314 1.00 0.00 SBOX C ATOM 138 H4' ADE A 12 41.622 64.483 19.486 1.00 0.00 SBOX ATOM 139 O4' ADE A 12 42.463 62.911 20.527 1.00 0.00 SBOX O ATOM 140 C1' ADE A 12 43.877 62.785 20.300 1.00 0.00 SBOX C ATOM 141 H1' ADE A 12 44.406 63.297 21.103 1.00 0.00 SBOX ATOM 142 N9 ADE A 12 44.107 61.321 20.352 1.00 0.00 SBOX N ATOM 143 C8 ADE A 12 43.906 60.293 19.423 1.00 0.00 SBOX C ATOM 144 H8 ADE A 12 43.353 60.391 18.501 1.00 0.00 SBOX ATOM 145 N7 ADE A 12 44.547 59.203 19.672 1.00 0.00 SBOX N ATOM 146 C5 ADE A 12 45.074 59.433 20.900 1.00 0.00 SBOX C ATOM 147 C6 ADE A 12 46.005 58.732 21.801 1.00 0.00 SBOX C ATOM 148 N6 ADE A 12 46.407 57.506 21.671 1.00 0.00 SBOX N ATOM 149 H61 ADE A 12 47.049 57.108 22.341 1.00 0.00 SBOX ATOM 150 H62 ADE A 12 46.170 57.065 20.793 1.00 0.00 SBOX ATOM 151 N1 ADE A 12 46.433 59.229 22.993 1.00 0.00 SBOX N ATOM 152 C2 ADE A 12 46.091 60.447 23.263 1.00 0.00 SBOX C ATOM 153 H2 ADE A 12 46.572 60.806 24.161 1.00 0.00 SBOX ATOM 154 N3 ADE A 12 45.284 61.209 22.568 1.00 0.00 SBOX N ATOM 155 C4 ADE A 12 44.793 60.683 21.375 1.00 0.00 SBOX C ATOM 156 C3' ADE A 12 42.996 63.564 18.271 1.00 0.00 SBOX C ATOM 157 H3' ADE A 12 42.922 62.783 17.513 1.00 0.00 SBOX ATOM 158 C2' ADE A 12 44.235 63.286 18.978 1.00 0.00 SBOX C ATOM 159 H2'' ADE A 12 44.762 62.507 18.427 1.00 0.00 SBOX ATOM 160 O2' ADE A 12 45.045 64.483 19.177 1.00 0.00 SBOX O ATOM 161 H2' ADE A 12 45.954 64.298 19.425 1.00 0.00 SBOX ATOM 162 O3' ADE A 12 43.039 64.791 17.514 1.00 0.00 SBOX O ATOM 163 P GUA A 13 42.033 65.163 16.327 1.00 0.00 SBOX P ATOM 164 O1P GUA A 13 42.030 64.013 15.448 1.00 0.00 SBOX ATOM 165 O2P GUA A 13 40.762 65.597 17.042 1.00 0.00 SBOX ATOM 166 O5' GUA A 13 42.544 66.378 15.488 1.00 0.00 SBOX O ATOM 167 C5' GUA A 13 43.562 66.147 14.520 1.00 0.00 SBOX C ATOM 168 H5' GUA A 13 43.263 65.544 13.664 1.00 0.00 SBOX ATOM 169 H5'' GUA A 13 44.328 65.494 14.940 1.00 0.00 SBOX ATOM 170 C4' GUA A 13 44.109 67.519 14.092 1.00 0.00 SBOX C ATOM 171 H4' GUA A 13 43.336 68.118 13.610 1.00 0.00 SBOX ATOM 172 O4' GUA A 13 44.508 68.116 15.291 1.00 0.00 SBOX O ATOM 173 C1' GUA A 13 45.704 68.912 15.031 1.00 0.00 SBOX C ATOM 174 H1' GUA A 13 45.559 69.963 15.283 1.00 0.00 SBOX ATOM 175 N9 GUA A 13 46.781 68.390 15.878 1.00 0.00 SBOX N ATOM 176 C8 GUA A 13 47.274 67.067 16.177 1.00 0.00 SBOX C ATOM 177 H8 GUA A 13 46.821 66.148 15.835 1.00 0.00 SBOX ATOM 178 N7 GUA A 13 48.380 67.017 16.897 1.00 0.00 SBOX N ATOM 179 C5 GUA A 13 48.655 68.386 17.132 1.00 0.00 SBOX C ATOM 180 C6 GUA A 13 49.824 69.029 17.597 1.00 0.00 SBOX C ATOM 181 O6 GUA A 13 50.847 68.594 18.067 1.00 0.00 SBOX O ATOM 182 N1 GUA A 13 49.740 70.433 17.537 1.00 0.00 SBOX N ATOM 183 H1 GUA A 13 50.514 70.971 17.898 1.00 0.00 SBOX ATOM 184 C2 GUA A 13 48.768 71.073 16.924 1.00 0.00 SBOX C ATOM 185 N2 GUA A 13 48.787 72.374 17.007 1.00 0.00 SBOX N ATOM 186 H21 GUA A 13 49.615 72.756 17.442 1.00 0.00 SBOX ATOM 187 H22 GUA A 13 48.069 72.911 16.542 1.00 0.00 SBOX ATOM 188 N3 GUA A 13 47.628 70.574 16.421 1.00 0.00 SBOX N ATOM 189 C4 GUA A 13 47.682 69.198 16.573 1.00 0.00 SBOX C ATOM 190 C3' GUA A 13 45.229 67.497 13.126 1.00 0.00 SBOX C ATOM 191 H3' GUA A 13 45.880 66.643 13.312 1.00 0.00 SBOX ATOM 192 C2' GUA A 13 45.973 68.762 13.491 1.00 0.00 SBOX C ATOM 193 H2'' GUA A 13 47.041 68.712 13.278 1.00 0.00 SBOX ATOM 194 O2' GUA A 13 45.482 70.048 12.982 1.00 0.00 SBOX O ATOM 195 H2' GUA A 13 45.927 70.204 12.146 1.00 0.00 SBOX ATOM 196 O3' GUA A 13 44.707 67.602 11.789 1.00 0.00 SBOX O ATOM 197 P ADE A 14 44.134 66.492 10.919 1.00 0.00 SBOX P ATOM 198 O1P ADE A 14 45.034 65.330 10.942 1.00 0.00 SBOX ATOM 199 O2P ADE A 14 42.659 66.327 11.184 1.00 0.00 SBOX ATOM 200 O5' ADE A 14 44.297 67.079 9.463 1.00 0.00 SBOX O ATOM 201 C5' ADE A 14 45.542 67.492 8.932 1.00 0.00 SBOX C ATOM 202 H5' ADE A 14 46.086 66.627 8.552 1.00 0.00 SBOX ATOM 203 H5'' ADE A 14 46.121 67.971 9.722 1.00 0.00 SBOX ATOM 204 C4' ADE A 14 45.376 68.496 7.882 1.00 0.00 SBOX C ATOM 205 H4' ADE A 14 46.349 68.959 7.719 1.00 0.00 SBOX ATOM 206 O4' ADE A 14 45.026 67.761 6.715 1.00 0.00 SBOX O ATOM 207 C1' ADE A 14 43.850 68.353 6.129 1.00 0.00 SBOX C ATOM 208 H1' ADE A 14 44.135 68.862 5.207 1.00 0.00 SBOX ATOM 209 N9 ADE A 14 42.852 67.226 5.994 1.00 0.00 SBOX N ATOM 210 C8 ADE A 14 42.707 66.007 6.626 1.00 0.00 SBOX C ATOM 211 H8 ADE A 14 43.414 65.707 7.384 1.00 0.00 SBOX ATOM 212 N7 ADE A 14 41.727 65.240 6.276 1.00 0.00 SBOX N ATOM 213 C5 ADE A 14 41.116 66.100 5.387 1.00 0.00 SBOX C ATOM 214 C6 ADE A 14 39.989 66.030 4.528 1.00 0.00 SBOX C ATOM 215 N6 ADE A 14 39.253 64.965 4.343 1.00 0.00 SBOX N ATOM 216 H61 ADE A 14 38.548 65.014 3.620 1.00 0.00 SBOX ATOM 217 H62 ADE A 14 39.478 64.226 4.994 1.00 0.00 SBOX ATOM 218 N1 ADE A 14 39.586 66.983 3.716 1.00 0.00 SBOX N ATOM 219 C2 ADE A 14 40.303 68.082 3.722 1.00 0.00 SBOX C ATOM 220 H2 ADE A 14 39.985 68.912 3.109 1.00 0.00 SBOX ATOM 221 N3 ADE A 14 41.422 68.287 4.408 1.00 0.00 SBOX N ATOM 222 C4 ADE A 14 41.746 67.290 5.237 1.00 0.00 SBOX C ATOM 223 C3' ADE A 14 44.365 69.587 8.269 1.00 0.00 SBOX C ATOM 224 H3' ADE A 14 43.882 69.412 9.230 1.00 0.00 SBOX ATOM 225 C2' ADE A 14 43.428 69.442 7.091 1.00 0.00 SBOX C ATOM 226 H2'' ADE A 14 42.505 69.079 7.543 1.00 0.00 SBOX ATOM 227 O2' ADE A 14 43.319 70.712 6.472 1.00 0.00 SBOX O ATOM 228 H2' ADE A 14 44.104 71.244 6.622 1.00 0.00 SBOX ATOM 229 O3' ADE A 14 44.991 70.881 8.337 1.00 0.00 SBOX O ATOM 230 P GUA A 15 45.187 71.717 9.631 1.00 0.00 SBOX P ATOM 231 O1P GUA A 15 43.898 72.063 10.275 1.00 0.00 SBOX ATOM 232 O2P GUA A 15 46.143 71.050 10.588 1.00 0.00 SBOX ATOM 233 O5' GUA A 15 45.888 73.091 9.063 1.00 0.00 SBOX O ATOM 234 C5' GUA A 15 47.292 73.362 9.083 1.00 0.00 SBOX C ATOM 235 H5' GUA A 15 47.599 73.687 8.089 1.00 0.00 SBOX ATOM 236 H5'' GUA A 15 47.792 72.452 9.416 1.00 0.00 SBOX ATOM 237 C4' GUA A 15 47.697 74.465 10.087 1.00 0.00 SBOX C ATOM 238 H4' GUA A 15 47.041 75.281 9.785 1.00 0.00 SBOX ATOM 239 O4' GUA A 15 47.434 74.162 11.425 1.00 0.00 SBOX O ATOM 240 C1' GUA A 15 48.464 74.656 12.222 1.00 0.00 SBOX C ATOM 241 H1' GUA A 15 48.124 75.355 12.986 1.00 0.00 SBOX ATOM 242 N9 GUA A 15 49.205 73.496 12.787 1.00 0.00 SBOX N ATOM 243 C8 GUA A 15 48.889 72.183 12.641 1.00 0.00 SBOX C ATOM 244 H8 GUA A 15 47.981 71.813 12.189 1.00 0.00 SBOX ATOM 245 N7 GUA A 15 49.670 71.337 13.301 1.00 0.00 SBOX N ATOM 246 C5 GUA A 15 50.626 72.188 13.943 1.00 0.00 SBOX C ATOM 247 C6 GUA A 15 51.773 71.927 14.820 1.00 0.00 SBOX C ATOM 248 O6 GUA A 15 52.198 70.824 15.274 1.00 0.00 SBOX O ATOM 249 N1 GUA A 15 52.402 73.041 15.216 1.00 0.00 SBOX N ATOM 250 H1 GUA A 15 53.200 72.931 15.825 1.00 0.00 SBOX ATOM 251 C2 GUA A 15 52.031 74.291 14.865 1.00 0.00 SBOX C ATOM 252 N2 GUA A 15 52.760 75.227 15.297 1.00 0.00 SBOX N ATOM 253 H21 GUA A 15 53.644 75.066 15.759 1.00 0.00 SBOX ATOM 254 H22 GUA A 15 52.343 76.145 15.244 1.00 0.00 SBOX ATOM 255 N3 GUA A 15 50.926 74.589 14.191 1.00 0.00 SBOX N ATOM 256 C4 GUA A 15 50.239 73.490 13.745 1.00 0.00 SBOX C ATOM 257 C3' GUA A 15 49.126 74.920 9.916 1.00 0.00 SBOX C ATOM 258 H3' GUA A 15 49.710 74.018 9.729 1.00 0.00 SBOX ATOM 259 C2' GUA A 15 49.517 75.454 11.335 1.00 0.00 SBOX C ATOM 260 H2'' GUA A 15 50.560 75.203 11.530 1.00 0.00 SBOX ATOM 261 O2' GUA A 15 49.313 76.825 11.621 1.00 0.00 SBOX O ATOM 262 H2' GUA A 15 49.354 77.037 12.557 1.00 0.00 SBOX ATOM 263 O3' GUA A 15 49.306 75.785 8.816 1.00 0.00 SBOX O ATOM 264 P GUA A 16 50.705 75.931 8.078 1.00 0.00 SBOX P ATOM 265 O1P GUA A 16 51.178 74.554 7.971 1.00 0.00 SBOX ATOM 266 O2P GUA A 16 50.464 76.618 6.786 1.00 0.00 SBOX ATOM 267 O5' GUA A 16 51.643 76.742 9.039 1.00 0.00 SBOX O ATOM 268 C5' GUA A 16 53.061 76.891 8.814 1.00 0.00 SBOX C ATOM 269 H5' GUA A 16 53.272 77.444 7.899 1.00 0.00 SBOX ATOM 270 H5'' GUA A 16 53.579 75.932 8.807 1.00 0.00 SBOX ATOM 271 C4' GUA A 16 53.667 77.624 9.991 1.00 0.00 SBOX C ATOM 272 H4' GUA A 16 53.499 78.686 9.813 1.00 0.00 SBOX ATOM 273 O4' GUA A 16 53.093 77.351 11.276 1.00 0.00 SBOX O ATOM 274 C1' GUA A 16 54.162 76.928 12.087 1.00 0.00 SBOX C ATOM 275 H1' GUA A 16 53.942 77.272 13.098 1.00 0.00 SBOX ATOM 276 N9 GUA A 16 54.192 75.388 12.192 1.00 0.00 SBOX N ATOM 277 C8 GUA A 16 53.480 74.441 11.478 1.00 0.00 SBOX C ATOM 278 H8 GUA A 16 52.865 74.811 10.671 1.00 0.00 SBOX ATOM 279 N7 GUA A 16 53.751 73.190 11.783 1.00 0.00 SBOX N ATOM 280 C5 GUA A 16 54.801 73.301 12.759 1.00 0.00 SBOX C ATOM 281 C6 GUA A 16 55.543 72.319 13.505 1.00 0.00 SBOX C ATOM 282 O6 GUA A 16 55.510 71.137 13.459 1.00 0.00 SBOX O ATOM 283 N1 GUA A 16 56.485 72.912 14.319 1.00 0.00 SBOX N ATOM 284 H1 GUA A 16 56.993 72.309 14.951 1.00 0.00 SBOX ATOM 285 C2 GUA A 16 56.700 74.208 14.442 1.00 0.00 SBOX C ATOM 286 N2 GUA A 16 57.760 74.622 15.121 1.00 0.00 SBOX N ATOM 287 H21 GUA A 16 58.261 73.918 15.644 1.00 0.00 SBOX ATOM 288 H22 GUA A 16 58.068 75.574 14.980 1.00 0.00 SBOX ATOM 289 N3 GUA A 16 55.933 75.144 13.901 1.00 0.00 SBOX N ATOM 290 C4 GUA A 16 55.010 74.650 12.999 1.00 0.00 SBOX C ATOM 291 C3' GUA A 16 55.203 77.395 10.031 1.00 0.00 SBOX C ATOM 292 H3' GUA A 16 55.455 76.354 9.834 1.00 0.00 SBOX ATOM 293 C2' GUA A 16 55.478 77.487 11.537 1.00 0.00 SBOX C ATOM 294 H2'' GUA A 16 56.320 76.890 11.888 1.00 0.00 SBOX ATOM 295 O2' GUA A 16 55.553 78.861 12.033 1.00 0.00 SBOX O ATOM 296 H2' GUA A 16 55.883 78.713 12.922 1.00 0.00 SBOX ATOM 297 O3' GUA A 16 55.903 78.254 9.106 1.00 0.00 SBOX O ATOM 298 P URA A 17 57.126 77.675 8.368 1.00 0.00 SBOX P ATOM 299 O1P URA A 17 56.622 76.514 7.653 1.00 0.00 SBOX ATOM 300 O2P URA A 17 57.743 78.753 7.575 1.00 0.00 SBOX ATOM 301 O5' URA A 17 58.110 77.194 9.466 1.00 0.00 SBOX O ATOM 302 C5' URA A 17 59.182 77.988 10.053 1.00 0.00 SBOX C ATOM 303 H5' URA A 17 58.710 78.841 10.540 1.00 0.00 SBOX ATOM 304 H5'' URA A 17 59.820 78.503 9.335 1.00 0.00 SBOX ATOM 305 C4' URA A 17 59.912 77.267 11.108 1.00 0.00 SBOX C ATOM 306 H4' URA A 17 60.514 78.057 11.556 1.00 0.00 SBOX ATOM 307 O4' URA A 17 59.022 76.686 12.084 1.00 0.00 SBOX O ATOM 308 C1' URA A 17 59.649 75.515 12.575 1.00 0.00 SBOX C ATOM 309 H1' URA A 17 59.708 75.623 13.658 1.00 0.00 SBOX ATOM 310 N1 URA A 17 59.070 74.252 12.242 1.00 0.00 SBOX N ATOM 311 C6 URA A 17 58.079 74.124 11.215 1.00 0.00 SBOX C ATOM 312 H6 URA A 17 57.780 75.054 10.754 1.00 0.00 SBOX ATOM 313 C5 URA A 17 57.566 72.877 10.907 1.00 0.00 SBOX C ATOM 314 H5 URA A 17 56.843 72.815 10.107 1.00 0.00 SBOX ATOM 315 C4 URA A 17 57.993 71.728 11.626 1.00 0.00 SBOX C ATOM 316 O4 URA A 17 57.631 70.575 11.433 1.00 0.00 SBOX O ATOM 317 N3 URA A 17 58.958 71.931 12.568 1.00 0.00 SBOX N ATOM 318 H3 URA A 17 59.381 71.093 12.940 1.00 0.00 SBOX ATOM 319 C2 URA A 17 59.514 73.112 12.886 1.00 0.00 SBOX C ATOM 320 O2 URA A 17 60.409 73.194 13.774 1.00 0.00 SBOX O ATOM 321 C3' URA A 17 60.921 76.254 10.616 1.00 0.00 SBOX C ATOM 322 H3' URA A 17 60.479 75.655 9.819 1.00 0.00 SBOX ATOM 323 C2' URA A 17 61.068 75.548 11.892 1.00 0.00 SBOX C ATOM 324 H2'' URA A 17 61.527 74.575 11.716 1.00 0.00 SBOX ATOM 325 O2' URA A 17 61.922 76.151 12.861 1.00 0.00 SBOX O ATOM 326 H2' URA A 17 61.908 75.781 13.747 1.00 0.00 SBOX ATOM 327 O3' URA A 17 62.136 76.783 10.227 1.00 0.00 SBOX O ATOM 328 P GUA A 18 62.905 76.142 9.054 1.00 0.00 SBOX P ATOM 329 O1P GUA A 18 61.944 75.986 7.922 1.00 0.00 SBOX ATOM 330 O2P GUA A 18 64.084 76.975 8.903 1.00 0.00 SBOX ATOM 331 O5' GUA A 18 63.288 74.694 9.629 1.00 0.00 SBOX O ATOM 332 C5' GUA A 18 64.072 74.373 10.769 1.00 0.00 SBOX C ATOM 333 H5' GUA A 18 63.724 74.919 11.646 1.00 0.00 SBOX ATOM 334 H5'' GUA A 18 65.104 74.635 10.539 1.00 0.00 SBOX ATOM 335 C4' GUA A 18 63.941 72.865 11.213 1.00 0.00 SBOX C ATOM 336 H4' GUA A 18 64.568 72.534 12.042 1.00 0.00 SBOX ATOM 337 O4' GUA A 18 62.580 72.409 11.507 1.00 0.00 SBOX O ATOM 338 C1' GUA A 18 62.400 71.124 11.012 1.00 0.00 SBOX C ATOM 339 H1' GUA A 18 61.967 70.570 11.845 1.00 0.00 SBOX ATOM 340 N9 GUA A 18 61.293 71.166 9.919 1.00 0.00 SBOX N ATOM 341 C8 GUA A 18 60.898 72.253 9.167 1.00 0.00 SBOX C ATOM 342 H8 GUA A 18 61.480 73.160 9.234 1.00 0.00 SBOX ATOM 343 N7 GUA A 18 59.883 71.980 8.393 1.00 0.00 SBOX N ATOM 344 C5 GUA A 18 59.441 70.695 8.755 1.00 0.00 SBOX C ATOM 345 C6 GUA A 18 58.323 69.910 8.331 1.00 0.00 SBOX C ATOM 346 O6 GUA A 18 57.369 70.265 7.620 1.00 0.00 SBOX O ATOM 347 N1 GUA A 18 58.324 68.631 8.892 1.00 0.00 SBOX N ATOM 348 H1 GUA A 18 57.568 68.004 8.660 1.00 0.00 SBOX ATOM 349 C2 GUA A 18 59.203 68.203 9.818 1.00 0.00 SBOX C ATOM 350 N2 GUA A 18 59.020 66.938 10.120 1.00 0.00 SBOX N ATOM 351 H21 GUA A 18 58.161 66.510 9.805 1.00 0.00 SBOX ATOM 352 H22 GUA A 18 59.794 66.480 10.579 1.00 0.00 SBOX ATOM 353 N3 GUA A 18 60.207 68.890 10.259 1.00 0.00 SBOX N ATOM 354 C4 GUA A 18 60.323 70.155 9.713 1.00 0.00 SBOX C ATOM 355 C3' GUA A 18 64.379 71.970 10.099 1.00 0.00 SBOX C ATOM 356 H3' GUA A 18 63.875 72.256 9.175 1.00 0.00 SBOX ATOM 357 C2' GUA A 18 63.814 70.618 10.538 1.00 0.00 SBOX C ATOM 358 H2'' GUA A 18 63.598 69.991 9.673 1.00 0.00 SBOX ATOM 359 O2' GUA A 18 64.501 69.850 11.480 1.00 0.00 SBOX O ATOM 360 H2' GUA A 18 65.196 69.324 11.076 1.00 0.00 SBOX ATOM 361 O3' GUA A 18 65.794 71.884 9.977 1.00 0.00 SBOX O ATOM 362 P GUA A 19 66.580 72.557 8.726 1.00 0.00 SBOX P ATOM 363 O1P GUA A 19 65.671 72.765 7.581 1.00 0.00 SBOX ATOM 364 O2P GUA A 19 67.315 73.773 9.220 1.00 0.00 SBOX ATOM 365 O5' GUA A 19 67.738 71.548 8.378 1.00 0.00 SBOX O ATOM 366 C5' GUA A 19 67.650 70.468 7.456 1.00 0.00 SBOX C ATOM 367 H5' GUA A 19 68.671 70.136 7.270 1.00 0.00 SBOX ATOM 368 H5'' GUA A 19 67.341 70.809 6.468 1.00 0.00 SBOX ATOM 369 C4' GUA A 19 66.885 69.265 7.699 1.00 0.00 SBOX C ATOM 370 H4' GUA A 19 67.413 68.647 8.426 1.00 0.00 SBOX ATOM 371 O4' GUA A 19 65.611 69.537 8.180 1.00 0.00 SBOX O ATOM 372 C1' GUA A 19 64.693 68.761 7.570 1.00 0.00 SBOX C ATOM 373 H1' GUA A 19 64.147 68.051 8.191 1.00 0.00 SBOX ATOM 374 N9 GUA A 19 63.695 69.601 6.836 1.00 0.00 SBOX N ATOM 375 C8 GUA A 19 63.837 70.770 6.216 1.00 0.00 SBOX C ATOM 376 H8 GUA A 19 64.748 71.349 6.171 1.00 0.00 SBOX ATOM 377 N7 GUA A 19 62.763 71.218 5.648 1.00 0.00 SBOX N ATOM 378 C5 GUA A 19 61.827 70.214 5.931 1.00 0.00 SBOX C ATOM 379 C6 GUA A 19 60.534 70.039 5.400 1.00 0.00 SBOX C ATOM 380 O6 GUA A 19 59.920 70.830 4.715 1.00 0.00 SBOX O ATOM 381 N1 GUA A 19 59.845 68.951 5.768 1.00 0.00 SBOX N ATOM 382 H1 GUA A 19 58.986 68.725 5.287 1.00 0.00 SBOX ATOM 383 C2 GUA A 19 60.455 68.007 6.556 1.00 0.00 SBOX C ATOM 384 N2 GUA A 19 59.895 66.876 6.669 1.00 0.00 SBOX N ATOM 385 H21 GUA A 19 59.100 66.558 6.135 1.00 0.00 SBOX ATOM 386 H22 GUA A 19 60.358 66.109 7.136 1.00 0.00 SBOX ATOM 387 N3 GUA A 19 61.687 68.084 7.069 1.00 0.00 SBOX N ATOM 388 C4 GUA A 19 62.363 69.211 6.666 1.00 0.00 SBOX C ATOM 389 C3' GUA A 19 66.707 68.390 6.427 1.00 0.00 SBOX C ATOM 390 H3' GUA A 19 66.577 69.027 5.552 1.00 0.00 SBOX ATOM 391 C2' GUA A 19 65.385 67.714 6.624 1.00 0.00 SBOX C ATOM 392 H2'' GUA A 19 64.889 67.542 5.669 1.00 0.00 SBOX ATOM 393 O2' GUA A 19 65.387 66.485 7.268 1.00 0.00 SBOX O ATOM 394 H2' GUA A 19 65.967 65.916 6.757 1.00 0.00 SBOX ATOM 395 O3' GUA A 19 67.887 67.605 6.259 1.00 0.00 SBOX O ATOM 396 P ADE A 20 68.128 66.605 5.131 1.00 0.00 SBOX P ATOM 397 O1P ADE A 20 67.387 67.098 3.939 1.00 0.00 SBOX ATOM 398 O2P ADE A 20 69.594 66.330 5.055 1.00 0.00 SBOX ATOM 399 O5' ADE A 20 67.424 65.264 5.610 1.00 0.00 SBOX O ATOM 400 C5' ADE A 20 68.046 64.448 6.558 1.00 0.00 SBOX C ATOM 401 H5' ADE A 20 68.117 64.983 7.505 1.00 0.00 SBOX ATOM 402 H5'' ADE A 20 69.027 64.085 6.252 1.00 0.00 SBOX ATOM 403 C4' ADE A 20 67.201 63.119 6.938 1.00 0.00 SBOX C ATOM 404 H4' ADE A 20 67.652 62.656 7.816 1.00 0.00 SBOX ATOM 405 O4' ADE A 20 65.824 63.589 7.065 1.00 0.00 SBOX O ATOM 406 C1' ADE A 20 64.965 62.645 6.535 1.00 0.00 SBOX C ATOM 407 H1' ADE A 20 64.453 62.006 7.255 1.00 0.00 SBOX ATOM 408 N9 ADE A 20 63.860 63.266 5.780 1.00 0.00 SBOX N ATOM 409 C8 ADE A 20 63.980 64.484 5.192 1.00 0.00 SBOX C ATOM 410 H8 ADE A 20 64.939 64.974 5.270 1.00 0.00 SBOX ATOM 411 N7 ADE A 20 62.860 64.892 4.598 1.00 0.00 SBOX N ATOM 412 C5 ADE A 20 61.977 63.795 4.895 1.00 0.00 SBOX C ATOM 413 C6 ADE A 20 60.585 63.436 4.666 1.00 0.00 SBOX C ATOM 414 N6 ADE A 20 59.694 64.026 3.965 1.00 0.00 SBOX N ATOM 415 H61 ADE A 20 58.751 63.741 4.191 1.00 0.00 SBOX ATOM 416 H62 ADE A 20 59.845 64.932 3.544 1.00 0.00 SBOX ATOM 417 N1 ADE A 20 60.068 62.335 5.110 1.00 0.00 SBOX N ATOM 418 C2 ADE A 20 60.861 61.529 5.791 1.00 0.00 SBOX C ATOM 419 H2 ADE A 20 60.418 60.663 6.260 1.00 0.00 SBOX ATOM 420 N3 ADE A 20 62.107 61.715 6.104 1.00 0.00 SBOX N ATOM 421 C4 ADE A 20 62.592 62.888 5.637 1.00 0.00 SBOX C ATOM 422 C3' ADE A 20 67.182 62.108 5.728 1.00 0.00 SBOX C ATOM 423 H3' ADE A 20 67.347 62.679 4.815 1.00 0.00 SBOX ATOM 424 C2' ADE A 20 65.705 61.723 5.635 1.00 0.00 SBOX C ATOM 425 H2'' ADE A 20 65.333 61.773 4.612 1.00 0.00 SBOX ATOM 426 O2' ADE A 20 65.436 60.350 6.003 1.00 0.00 SBOX O ATOM 427 H2' ADE A 20 65.738 60.249 6.909 1.00 0.00 SBOX ATOM 428 O3' ADE A 20 68.088 61.027 5.681 1.00 0.00 SBOX O ATOM 429 P GUA A 21 68.519 60.209 6.929 1.00 0.00 SBOX P ATOM 430 O1P GUA A 21 68.681 58.798 6.495 1.00 0.00 SBOX ATOM 431 O2P GUA A 21 69.653 60.836 7.663 1.00 0.00 SBOX ATOM 432 O5' GUA A 21 67.320 60.219 8.008 1.00 0.00 SBOX O ATOM 433 C5' GUA A 21 67.124 59.192 8.993 1.00 0.00 SBOX C ATOM 434 H5' GUA A 21 67.958 59.203 9.695 1.00 0.00 SBOX ATOM 435 H5'' GUA A 21 66.976 58.221 8.521 1.00 0.00 SBOX ATOM 436 C4' GUA A 21 65.787 59.584 9.776 1.00 0.00 SBOX C ATOM 437 H4' GUA A 21 65.903 60.352 10.541 1.00 0.00 SBOX ATOM 438 O4' GUA A 21 64.825 60.013 8.781 1.00 0.00 SBOX O ATOM 439 C1' GUA A 21 63.627 59.255 9.063 1.00 0.00 SBOX C ATOM 440 H1' GUA A 21 62.827 59.990 8.972 1.00 0.00 SBOX ATOM 441 N9 GUA A 21 63.297 58.105 8.203 1.00 0.00 SBOX N ATOM 442 C8 GUA A 21 64.122 57.473 7.286 1.00 0.00 SBOX C ATOM 443 H8 GUA A 21 65.181 57.670 7.215 1.00 0.00 SBOX ATOM 444 N7 GUA A 21 63.615 56.457 6.695 1.00 0.00 SBOX N ATOM 445 C5 GUA A 21 62.238 56.540 7.136 1.00 0.00 SBOX C ATOM 446 C6 GUA A 21 61.072 55.664 6.886 1.00 0.00 SBOX C ATOM 447 O6 GUA A 21 60.992 54.669 6.279 1.00 0.00 SBOX O ATOM 448 N1 GUA A 21 59.927 56.029 7.617 1.00 0.00 SBOX N ATOM 449 H1 GUA A 21 59.088 55.482 7.487 1.00 0.00 SBOX ATOM 450 C2 GUA A 21 59.930 57.160 8.418 1.00 0.00 SBOX C ATOM 451 N2 GUA A 21 58.789 57.415 9.014 1.00 0.00 SBOX N ATOM 452 H21 GUA A 21 58.001 56.800 8.865 1.00 0.00 SBOX ATOM 453 H22 GUA A 21 58.789 58.146 9.711 1.00 0.00 SBOX ATOM 454 N3 GUA A 21 60.920 57.923 8.700 1.00 0.00 SBOX N ATOM 455 C4 GUA A 21 62.046 57.582 8.000 1.00 0.00 SBOX C ATOM 456 C3' GUA A 21 65.181 58.405 10.563 1.00 0.00 SBOX C ATOM 457 H3' GUA A 21 65.295 57.500 9.965 1.00 0.00 SBOX ATOM 458 C2' GUA A 21 63.692 58.789 10.504 1.00 0.00 SBOX C ATOM 459 H2'' GUA A 21 63.129 57.856 10.538 1.00 0.00 SBOX ATOM 460 O2' GUA A 21 63.165 59.672 11.545 1.00 0.00 SBOX O ATOM 461 H2' GUA A 21 62.265 59.934 11.342 1.00 0.00 SBOX ATOM 462 O3' GUA A 21 65.773 58.195 11.784 1.00 0.00 SBOX O ATOM 463 P GUA A 22 65.646 56.880 12.656 1.00 0.00 SBOX P ATOM 464 O1P GUA A 22 66.251 55.769 11.981 1.00 0.00 SBOX ATOM 465 O2P GUA A 22 66.254 57.324 13.905 1.00 0.00 SBOX ATOM 466 O5' GUA A 22 64.032 56.570 12.878 1.00 0.00 SBOX O ATOM 467 C5' GUA A 22 63.324 57.342 13.882 1.00 0.00 SBOX C ATOM 468 H5' GUA A 22 63.497 58.416 13.814 1.00 0.00 SBOX ATOM 469 H5'' GUA A 22 63.651 57.093 14.892 1.00 0.00 SBOX ATOM 470 C4' GUA A 22 61.863 57.021 13.697 1.00 0.00 SBOX C ATOM 471 H4' GUA A 22 61.300 57.706 14.331 1.00 0.00 SBOX ATOM 472 O4' GUA A 22 61.415 57.024 12.394 1.00 0.00 SBOX O ATOM 473 C1' GUA A 22 60.385 56.099 12.233 1.00 0.00 SBOX C ATOM 474 H1' GUA A 22 59.422 56.479 11.890 1.00 0.00 SBOX ATOM 475 N9 GUA A 22 60.752 55.069 11.213 1.00 0.00 SBOX N ATOM 476 C8 GUA A 22 62.037 54.728 10.758 1.00 0.00 SBOX C ATOM 477 H8 GUA A 22 62.858 55.381 11.013 1.00 0.00 SBOX ATOM 478 N7 GUA A 22 62.004 53.843 9.794 1.00 0.00 SBOX N ATOM 479 C5 GUA A 22 60.658 53.429 9.722 1.00 0.00 SBOX C ATOM 480 C6 GUA A 22 60.050 52.323 9.111 1.00 0.00 SBOX C ATOM 481 O6 GUA A 22 60.578 51.463 8.318 1.00 0.00 SBOX O ATOM 482 N1 GUA A 22 58.683 52.162 9.336 1.00 0.00 SBOX N ATOM 483 H1 GUA A 22 58.169 51.387 8.943 1.00 0.00 SBOX ATOM 484 C2 GUA A 22 58.055 53.160 9.987 1.00 0.00 SBOX C ATOM 485 N2 GUA A 22 56.810 52.853 10.095 1.00 0.00 SBOX N ATOM 486 H21 GUA A 22 56.427 52.029 9.655 1.00 0.00 SBOX ATOM 487 H22 GUA A 22 56.174 53.476 10.572 1.00 0.00 SBOX ATOM 488 N3 GUA A 22 58.528 54.165 10.706 1.00 0.00 SBOX N ATOM 489 C4 GUA A 22 59.899 54.206 10.567 1.00 0.00 SBOX C ATOM 490 C3' GUA A 22 61.526 55.686 14.183 1.00 0.00 SBOX C ATOM 491 H3' GUA A 22 62.351 55.059 13.845 1.00 0.00 SBOX ATOM 492 C2' GUA A 22 60.189 55.508 13.581 1.00 0.00 SBOX C ATOM 493 H2'' GUA A 22 60.137 54.419 13.603 1.00 0.00 SBOX ATOM 494 O2' GUA A 22 59.014 56.183 14.172 1.00 0.00 SBOX O ATOM 495 H2' GUA A 22 58.226 55.711 13.892 1.00 0.00 SBOX ATOM 496 O3' GUA A 22 61.498 55.647 15.586 1.00 0.00 SBOX O ATOM 497 P GUA A 23 61.715 54.268 16.382 1.00 0.00 SBOX P ATOM 498 O1P GUA A 23 62.876 53.674 15.702 1.00 0.00 SBOX ATOM 499 O2P GUA A 23 61.875 54.618 17.804 1.00 0.00 SBOX ATOM 500 O5' GUA A 23 60.393 53.454 16.161 1.00 0.00 SBOX O ATOM 501 C5' GUA A 23 59.115 53.727 16.808 1.00 0.00 SBOX C ATOM 502 H5' GUA A 23 58.955 54.806 16.801 1.00 0.00 SBOX ATOM 503 H5'' GUA A 23 59.140 53.519 17.878 1.00 0.00 SBOX ATOM 504 C4' GUA A 23 57.910 53.024 16.128 1.00 0.00 SBOX C ATOM 505 H4' GUA A 23 57.058 53.437 16.667 1.00 0.00 SBOX ATOM 506 O4' GUA A 23 57.949 53.136 14.763 1.00 0.00 SBOX O ATOM 507 C1' GUA A 23 57.387 52.018 14.132 1.00 0.00 SBOX C ATOM 508 H1' GUA A 23 56.483 52.207 13.554 1.00 0.00 SBOX ATOM 509 N9 GUA A 23 58.272 51.288 13.259 1.00 0.00 SBOX N ATOM 510 C8 GUA A 23 59.588 51.530 13.044 1.00 0.00 SBOX C ATOM 511 H8 GUA A 23 60.141 52.310 13.547 1.00 0.00 SBOX ATOM 512 N7 GUA A 23 60.130 50.688 12.180 1.00 0.00 SBOX N ATOM 513 C5 GUA A 23 59.054 49.863 11.864 1.00 0.00 SBOX C ATOM 514 C6 GUA A 23 58.947 48.767 10.950 1.00 0.00 SBOX C ATOM 515 O6 GUA A 23 59.840 48.221 10.299 1.00 0.00 SBOX O ATOM 516 N1 GUA A 23 57.628 48.336 10.748 1.00 0.00 SBOX N ATOM 517 H1 GUA A 23 57.431 47.540 10.158 1.00 0.00 SBOX ATOM 518 C2 GUA A 23 56.569 48.771 11.355 1.00 0.00 SBOX C ATOM 519 N2 GUA A 23 55.429 48.217 11.023 1.00 0.00 SBOX N ATOM 520 H21 GUA A 23 55.377 47.464 10.351 1.00 0.00 SBOX ATOM 521 H22 GUA A 23 54.589 48.633 11.398 1.00 0.00 SBOX ATOM 522 N3 GUA A 23 56.633 49.729 12.267 1.00 0.00 SBOX N ATOM 523 C4 GUA A 23 57.938 50.251 12.446 1.00 0.00 SBOX C ATOM 524 C3' GUA A 23 57.941 51.464 16.431 1.00 0.00 SBOX C ATOM 525 H3' GUA A 23 58.895 51.077 16.072 1.00 0.00 SBOX ATOM 526 C2' GUA A 23 56.962 51.211 15.283 1.00 0.00 SBOX C ATOM 527 H2'' GUA A 23 57.087 50.161 15.015 1.00 0.00 SBOX ATOM 528 O2' GUA A 23 55.619 51.543 15.662 1.00 0.00 SBOX O ATOM 529 H2' GUA A 23 55.378 50.871 16.303 1.00 0.00 SBOX ATOM 530 O3' GUA A 23 57.497 51.144 17.758 1.00 0.00 SBOX O ATOM 531 P ADE A 24 57.826 49.740 18.415 1.00 0.00 SBOX P ATOM 532 O1P ADE A 24 57.100 49.745 19.665 1.00 0.00 SBOX ATOM 533 O2P ADE A 24 57.501 48.810 17.354 1.00 0.00 SBOX ATOM 534 O5' ADE A 24 59.402 49.740 18.615 1.00 0.00 SBOX O ATOM 535 C5' ADE A 24 60.108 50.872 19.112 1.00 0.00 SBOX C ATOM 536 H5' ADE A 24 59.384 51.499 19.631 1.00 0.00 SBOX ATOM 537 H5'' ADE A 24 60.399 51.535 18.297 1.00 0.00 SBOX ATOM 538 C4' ADE A 24 61.265 50.621 20.115 1.00 0.00 SBOX C ATOM 539 H4' ADE A 24 61.975 51.448 20.125 1.00 0.00 SBOX ATOM 540 O4' ADE A 24 60.866 50.393 21.446 1.00 0.00 SBOX O ATOM 541 C1' ADE A 24 61.499 49.185 21.931 1.00 0.00 SBOX C ATOM 542 H1' ADE A 24 61.996 49.248 22.899 1.00 0.00 SBOX ATOM 543 N9 ADE A 24 60.528 48.060 22.033 1.00 0.00 SBOX N ATOM 544 C8 ADE A 24 59.145 48.110 21.738 1.00 0.00 SBOX C ATOM 545 H8 ADE A 24 58.605 48.919 21.269 1.00 0.00 SBOX ATOM 546 N7 ADE A 24 58.492 47.070 22.286 1.00 0.00 SBOX N ATOM 547 C5 ADE A 24 59.445 46.394 23.017 1.00 0.00 SBOX C ATOM 548 C6 ADE A 24 59.473 45.246 23.790 1.00 0.00 SBOX C ATOM 549 N6 ADE A 24 58.411 44.480 24.040 1.00 0.00 SBOX N ATOM 550 H61 ADE A 24 58.524 43.716 24.690 1.00 0.00 SBOX ATOM 551 H62 ADE A 24 57.531 44.918 23.805 1.00 0.00 SBOX ATOM 552 N1 ADE A 24 60.545 44.722 24.311 1.00 0.00 SBOX N ATOM 553 C2 ADE A 24 61.673 45.366 24.034 1.00 0.00 SBOX C ATOM 554 H2 ADE A 24 62.487 44.881 24.553 1.00 0.00 SBOX ATOM 555 N3 ADE A 24 61.911 46.505 23.372 1.00 0.00 SBOX N ATOM 556 C4 ADE A 24 60.694 47.001 22.876 1.00 0.00 SBOX C ATOM 557 C3' ADE A 24 62.146 49.399 19.651 1.00 0.00 SBOX C ATOM 558 H3' ADE A 24 61.555 48.590 19.221 1.00 0.00 SBOX ATOM 559 C2' ADE A 24 62.653 48.868 21.024 1.00 0.00 SBOX C ATOM 560 H2'' ADE A 24 62.896 47.807 20.965 1.00 0.00 SBOX ATOM 561 O2' ADE A 24 63.794 49.581 21.485 1.00 0.00 SBOX O ATOM 562 H2' ADE A 24 64.314 49.845 20.722 1.00 0.00 SBOX ATOM 563 O3' ADE A 24 63.247 49.771 18.923 1.00 0.00 SBOX O ATOM 564 P CYT A 25 63.704 48.882 17.685 1.00 0.00 SBOX P ATOM 565 O1P CYT A 25 62.450 48.793 16.912 1.00 0.00 SBOX ATOM 566 O2P CYT A 25 64.864 49.562 17.032 1.00 0.00 SBOX ATOM 567 O5' CYT A 25 64.135 47.490 18.338 1.00 0.00 SBOX O ATOM 568 C5' CYT A 25 65.249 47.457 19.181 1.00 0.00 SBOX C ATOM 569 H5' CYT A 25 65.261 48.172 20.003 1.00 0.00 SBOX ATOM 570 H5'' CYT A 25 66.183 47.605 18.639 1.00 0.00 SBOX ATOM 571 C4' CYT A 25 65.321 46.104 19.884 1.00 0.00 SBOX C ATOM 572 H4' CYT A 25 66.267 46.117 20.426 1.00 0.00 SBOX ATOM 573 O4' CYT A 25 64.256 45.914 20.884 1.00 0.00 SBOX O ATOM 574 C1' CYT A 25 63.760 44.610 20.791 1.00 0.00 SBOX C ATOM 575 H1' CYT A 25 63.822 44.184 21.792 1.00 0.00 SBOX ATOM 576 N1 CYT A 25 62.303 44.551 20.454 1.00 0.00 SBOX N ATOM 577 C6 CYT A 25 61.771 45.209 19.408 1.00 0.00 SBOX C ATOM 578 H6 CYT A 25 62.323 45.898 18.785 1.00 0.00 SBOX ATOM 579 C5 CYT A 25 60.459 45.034 19.040 1.00 0.00 SBOX C ATOM 580 H5 CYT A 25 59.966 45.635 18.291 1.00 0.00 SBOX ATOM 581 C4 CYT A 25 59.697 44.309 19.931 1.00 0.00 SBOX C ATOM 582 N4 CYT A 25 58.433 44.395 19.823 1.00 0.00 SBOX N ATOM 583 H41 CYT A 25 57.815 44.007 20.521 1.00 0.00 SBOX ATOM 584 H42 CYT A 25 58.110 44.984 19.069 1.00 0.00 SBOX ATOM 585 N3 CYT A 25 60.176 43.560 20.862 1.00 0.00 SBOX N ATOM 586 C2 CYT A 25 61.471 43.686 21.129 1.00 0.00 SBOX C ATOM 587 O2 CYT A 25 61.984 42.931 21.940 1.00 0.00 SBOX O ATOM 588 C3' CYT A 25 65.187 44.930 18.871 1.00 0.00 SBOX C ATOM 589 H3' CYT A 25 64.447 45.077 18.084 1.00 0.00 SBOX ATOM 590 C2' CYT A 25 64.745 43.861 19.845 1.00 0.00 SBOX C ATOM 591 H2'' CYT A 25 64.246 43.050 19.316 1.00 0.00 SBOX ATOM 592 O2' CYT A 25 65.761 43.389 20.734 1.00 0.00 SBOX O ATOM 593 H2' CYT A 25 65.514 42.463 20.787 1.00 0.00 SBOX ATOM 594 O3' CYT A 25 66.430 44.561 18.126 1.00 0.00 SBOX O ATOM 595 P URA A 26 66.411 43.829 16.628 1.00 0.00 SBOX P ATOM 596 O1P URA A 26 65.508 44.669 15.835 1.00 0.00 SBOX ATOM 597 O2P URA A 26 67.823 43.604 16.127 1.00 0.00 SBOX ATOM 598 O5' URA A 26 65.622 42.484 16.933 1.00 0.00 SBOX O ATOM 599 C5' URA A 26 66.262 41.299 17.457 1.00 0.00 SBOX C ATOM 600 H5' URA A 26 66.631 41.395 18.478 1.00 0.00 SBOX ATOM 601 H5'' URA A 26 67.134 41.222 16.808 1.00 0.00 SBOX ATOM 602 C4' URA A 26 65.395 40.037 17.182 1.00 0.00 SBOX C ATOM 603 H4' URA A 26 65.954 39.147 17.473 1.00 0.00 SBOX ATOM 604 O4' URA A 26 64.252 40.073 17.997 1.00 0.00 SBOX O ATOM 605 C1' URA A 26 63.204 39.420 17.236 1.00 0.00 SBOX C ATOM 606 H1' URA A 26 62.853 38.508 17.719 1.00 0.00 SBOX ATOM 607 N1 URA A 26 62.025 40.296 17.056 1.00 0.00 SBOX N ATOM 608 C6 URA A 26 62.108 41.719 17.024 1.00 0.00 SBOX C ATOM 609 H6 URA A 26 63.108 42.127 17.038 1.00 0.00 SBOX ATOM 610 C5 URA A 26 60.999 42.485 16.978 1.00 0.00 SBOX C ATOM 611 H5 URA A 26 61.047 43.564 16.988 1.00 0.00 SBOX ATOM 612 C4 URA A 26 59.679 41.959 17.094 1.00 0.00 SBOX C ATOM 613 O4 URA A 26 58.587 42.534 17.269 1.00 0.00 SBOX O ATOM 614 N3 URA A 26 59.704 40.571 16.967 1.00 0.00 SBOX N ATOM 615 H3 URA A 26 58.780 40.164 16.995 1.00 0.00 SBOX ATOM 616 C2 URA A 26 60.762 39.733 16.887 1.00 0.00 SBOX C ATOM 617 O2 URA A 26 60.608 38.531 16.756 1.00 0.00 SBOX O ATOM 618 C3' URA A 26 65.012 39.896 15.740 1.00 0.00 SBOX C ATOM 619 H3' URA A 26 64.632 40.860 15.400 1.00 0.00 SBOX ATOM 620 C2' URA A 26 63.855 38.919 15.952 1.00 0.00 SBOX C ATOM 621 H2'' URA A 26 63.155 39.099 15.136 1.00 0.00 SBOX ATOM 622 O2' URA A 26 64.178 37.507 16.101 1.00 0.00 SBOX O ATOM 623 H2' URA A 26 63.321 37.082 16.188 1.00 0.00 SBOX ATOM 624 O3' URA A 26 66.013 39.250 14.962 1.00 0.00 SBOX O ATOM 625 P GUA A 27 66.099 39.512 13.467 1.00 0.00 SBOX P ATOM 626 O1P GUA A 27 65.918 40.941 13.223 1.00 0.00 SBOX ATOM 627 O2P GUA A 27 67.302 38.901 12.965 1.00 0.00 SBOX ATOM 628 O5' GUA A 27 64.910 38.772 12.736 1.00 0.00 SBOX O ATOM 629 C5' GUA A 27 64.820 37.360 12.729 1.00 0.00 SBOX C ATOM 630 H5' GUA A 27 65.018 37.089 13.766 1.00 0.00 SBOX ATOM 631 H5'' GUA A 27 65.571 36.972 12.041 1.00 0.00 SBOX ATOM 632 C4' GUA A 27 63.357 36.916 12.532 1.00 0.00 SBOX C ATOM 633 H4' GUA A 27 63.470 35.841 12.390 1.00 0.00 SBOX ATOM 634 O4' GUA A 27 62.484 37.166 13.695 1.00 0.00 SBOX O ATOM 635 C1' GUA A 27 61.202 37.482 13.194 1.00 0.00 SBOX C ATOM 636 H1' GUA A 27 60.525 36.814 13.727 1.00 0.00 SBOX ATOM 637 N9 GUA A 27 60.870 38.894 13.584 1.00 0.00 SBOX N ATOM 638 C8 GUA A 27 61.690 39.991 13.538 1.00 0.00 SBOX C ATOM 639 H8 GUA A 27 62.736 39.920 13.280 1.00 0.00 SBOX ATOM 640 N7 GUA A 27 61.073 41.104 13.797 1.00 0.00 SBOX N ATOM 641 C5 GUA A 27 59.706 40.757 13.823 1.00 0.00 SBOX C ATOM 642 C6 GUA A 27 58.495 41.519 14.005 1.00 0.00 SBOX C ATOM 643 O6 GUA A 27 58.284 42.706 14.249 1.00 0.00 SBOX O ATOM 644 N1 GUA A 27 57.361 40.767 13.921 1.00 0.00 SBOX N ATOM 645 H1 GUA A 27 56.477 41.241 14.037 1.00 0.00 SBOX ATOM 646 C2 GUA A 27 57.355 39.394 13.810 1.00 0.00 SBOX C ATOM 647 N2 GUA A 27 56.119 38.955 13.790 1.00 0.00 SBOX N ATOM 648 H21 GUA A 27 55.349 39.608 13.798 1.00 0.00 SBOX ATOM 649 H22 GUA A 27 56.068 37.956 13.651 1.00 0.00 SBOX ATOM 650 N3 GUA A 27 58.396 38.611 13.585 1.00 0.00 SBOX N ATOM 651 C4 GUA A 27 59.557 39.357 13.706 1.00 0.00 SBOX C ATOM 652 C3' GUA A 27 62.716 37.488 11.254 1.00 0.00 SBOX C ATOM 653 H3' GUA A 27 62.897 38.562 11.225 1.00 0.00 SBOX ATOM 654 C2' GUA A 27 61.247 37.179 11.705 1.00 0.00 SBOX C ATOM 655 H2'' GUA A 27 60.552 37.887 11.254 1.00 0.00 SBOX ATOM 656 O2' GUA A 27 60.883 35.785 11.442 1.00 0.00 SBOX O ATOM 657 H2' GUA A 27 60.010 35.554 11.766 1.00 0.00 SBOX ATOM 658 O3' GUA A 27 63.079 36.799 10.043 1.00 0.00 SBOX O ATOM 659 P GUA A 28 62.576 37.321 8.607 1.00 0.00 SBOX P ATOM 660 O1P GUA A 28 63.211 38.641 8.349 1.00 0.00 SBOX ATOM 661 O2P GUA A 28 62.848 36.196 7.703 1.00 0.00 SBOX ATOM 662 O5' GUA A 28 60.939 37.632 8.736 1.00 0.00 SBOX O ATOM 663 C5' GUA A 28 60.244 38.655 8.039 1.00 0.00 SBOX C ATOM 664 H5' GUA A 28 60.024 38.327 7.024 1.00 0.00 SBOX ATOM 665 H5'' GUA A 28 60.793 39.592 8.129 1.00 0.00 SBOX ATOM 666 C4' GUA A 28 58.839 38.853 8.636 1.00 0.00 SBOX C ATOM 667 H4' GUA A 28 58.167 38.001 8.529 1.00 0.00 SBOX ATOM 668 O4' GUA A 28 58.861 39.291 9.991 1.00 0.00 SBOX O ATOM 669 C1' GUA A 28 57.763 40.239 10.221 1.00 0.00 SBOX C ATOM 670 H1' GUA A 28 57.182 39.824 11.045 1.00 0.00 SBOX ATOM 671 N9 GUA A 28 58.191 41.682 10.506 1.00 0.00 SBOX N ATOM 672 C8 GUA A 28 59.424 42.249 10.491 1.00 0.00 SBOX C ATOM 673 H8 GUA A 28 60.307 41.828 10.034 1.00 0.00 SBOX ATOM 674 N7 GUA A 28 59.421 43.477 10.973 1.00 0.00 SBOX N ATOM 675 C5 GUA A 28 58.164 43.729 11.364 1.00 0.00 SBOX C ATOM 676 C6 GUA A 28 57.553 44.826 12.030 1.00 0.00 SBOX C ATOM 677 O6 GUA A 28 58.005 45.895 12.358 1.00 0.00 SBOX O ATOM 678 N1 GUA A 28 56.200 44.699 12.248 1.00 0.00 SBOX N ATOM 679 H1 GUA A 28 55.685 45.537 12.477 1.00 0.00 SBOX ATOM 680 C2 GUA A 28 55.498 43.633 11.915 1.00 0.00 SBOX C ATOM 681 N2 GUA A 28 54.217 43.736 11.930 1.00 0.00 SBOX N ATOM 682 H21 GUA A 28 53.774 44.551 12.329 1.00 0.00 SBOX ATOM 683 H22 GUA A 28 53.708 43.021 11.429 1.00 0.00 SBOX ATOM 684 N3 GUA A 28 55.988 42.581 11.301 1.00 0.00 SBOX N ATOM 685 C4 GUA A 28 57.330 42.635 11.055 1.00 0.00 SBOX C ATOM 686 C3' GUA A 28 58.030 39.919 7.841 1.00 0.00 SBOX C ATOM 687 H3' GUA A 28 58.534 40.858 7.613 1.00 0.00 SBOX ATOM 688 C2' GUA A 28 56.936 40.164 8.934 1.00 0.00 SBOX C ATOM 689 H2'' GUA A 28 56.380 41.067 8.681 1.00 0.00 SBOX ATOM 690 O2' GUA A 28 56.009 39.077 9.117 1.00 0.00 SBOX O ATOM 691 H2' GUA A 28 55.252 39.449 9.574 1.00 0.00 SBOX ATOM 692 O3' GUA A 28 57.493 39.324 6.679 1.00 0.00 SBOX O ATOM 693 P CYT A 29 57.223 40.213 5.397 1.00 0.00 SBOX P ATOM 694 O1P CYT A 29 58.472 40.973 5.170 1.00 0.00 SBOX ATOM 695 O2P CYT A 29 56.833 39.260 4.388 1.00 0.00 SBOX ATOM 696 O5' CYT A 29 56.049 41.290 5.644 1.00 0.00 SBOX O ATOM 697 C5' CYT A 29 54.720 40.883 5.905 1.00 0.00 SBOX C ATOM 698 H5' CYT A 29 54.684 39.932 6.436 1.00 0.00 SBOX ATOM 699 H5'' CYT A 29 54.169 40.679 4.987 1.00 0.00 SBOX ATOM 700 C4' CYT A 29 53.822 41.806 6.769 1.00 0.00 SBOX C ATOM 701 H4' CYT A 29 52.876 41.333 7.032 1.00 0.00 SBOX ATOM 702 O4' CYT A 29 54.517 42.024 7.982 1.00 0.00 SBOX O ATOM 703 C1' CYT A 29 54.341 43.345 8.364 1.00 0.00 SBOX C ATOM 704 H1' CYT A 29 53.972 43.364 9.390 1.00 0.00 SBOX ATOM 705 N1 CYT A 29 55.607 44.122 8.318 1.00 0.00 SBOX N ATOM 706 C6 CYT A 29 56.764 43.664 7.733 1.00 0.00 SBOX C ATOM 707 H6 CYT A 29 56.713 42.637 7.400 1.00 0.00 SBOX ATOM 708 C5 CYT A 29 57.974 44.244 7.860 1.00 0.00 SBOX C ATOM 709 H5 CYT A 29 58.845 43.842 7.364 1.00 0.00 SBOX ATOM 710 C4 CYT A 29 57.946 45.506 8.554 1.00 0.00 SBOX C ATOM 711 N4 CYT A 29 59.093 46.040 8.726 1.00 0.00 SBOX N ATOM 712 H41 CYT A 29 59.151 46.943 9.175 1.00 0.00 SBOX ATOM 713 H42 CYT A 29 59.874 45.424 8.553 1.00 0.00 SBOX ATOM 714 N3 CYT A 29 56.896 46.105 9.040 1.00 0.00 SBOX N ATOM 715 C2 CYT A 29 55.737 45.386 9.011 1.00 0.00 SBOX C ATOM 716 O2 CYT A 29 54.760 45.966 9.473 1.00 0.00 SBOX O ATOM 717 C3' CYT A 29 53.592 43.215 6.205 1.00 0.00 SBOX C ATOM 718 H3' CYT A 29 54.537 43.665 5.901 1.00 0.00 SBOX ATOM 719 C2' CYT A 29 53.309 43.971 7.490 1.00 0.00 SBOX C ATOM 720 H2'' CYT A 29 53.453 45.040 7.334 1.00 0.00 SBOX ATOM 721 O2' CYT A 29 51.959 43.788 8.088 1.00 0.00 SBOX O ATOM 722 H2' CYT A 29 51.991 44.390 8.835 1.00 0.00 SBOX ATOM 723 O3' CYT A 29 52.597 43.334 5.183 1.00 0.00 SBOX O ATOM 724 P CYT A 30 52.338 44.608 4.375 1.00 0.00 SBOX P ATOM 725 O1P CYT A 30 53.659 44.972 3.763 1.00 0.00 SBOX ATOM 726 O2P CYT A 30 51.154 44.344 3.567 1.00 0.00 SBOX ATOM 727 O5' CYT A 30 51.827 45.628 5.544 1.00 0.00 SBOX O ATOM 728 C5' CYT A 30 51.605 46.947 5.208 1.00 0.00 SBOX C ATOM 729 H5' CYT A 30 50.666 47.008 4.657 1.00 0.00 SBOX ATOM 730 H5'' CYT A 30 52.408 47.285 4.553 1.00 0.00 SBOX ATOM 731 C4' CYT A 30 51.813 48.023 6.250 1.00 0.00 SBOX C ATOM 732 H4' CYT A 30 50.898 48.088 6.839 1.00 0.00 SBOX ATOM 733 O4' CYT A 30 52.812 47.696 7.134 1.00 0.00 SBOX O ATOM 734 C1' CYT A 30 53.333 48.891 7.725 1.00 0.00 SBOX C ATOM 735 H1' CYT A 30 53.162 48.868 8.801 1.00 0.00 SBOX ATOM 736 N1 CYT A 30 54.774 48.992 7.517 1.00 0.00 SBOX N ATOM 737 C6 CYT A 30 55.434 48.261 6.571 1.00 0.00 SBOX C ATOM 738 H6 CYT A 30 54.932 47.488 6.008 1.00 0.00 SBOX ATOM 739 C5 CYT A 30 56.788 48.359 6.503 1.00 0.00 SBOX C ATOM 740 H5 CYT A 30 57.231 47.789 5.700 1.00 0.00 SBOX ATOM 741 C4 CYT A 30 57.452 49.342 7.220 1.00 0.00 SBOX C ATOM 742 N4 CYT A 30 58.689 49.634 6.849 1.00 0.00 SBOX N ATOM 743 H41 CYT A 30 59.184 50.330 7.389 1.00 0.00 SBOX ATOM 744 H42 CYT A 30 59.167 48.955 6.274 1.00 0.00 SBOX ATOM 745 N3 CYT A 30 56.843 50.192 8.044 1.00 0.00 SBOX N ATOM 746 C2 CYT A 30 55.520 49.950 8.260 1.00 0.00 SBOX C ATOM 747 O2 CYT A 30 54.943 50.702 9.058 1.00 0.00 SBOX O ATOM 748 C3' CYT A 30 52.196 49.424 5.719 1.00 0.00 SBOX C ATOM 749 H3' CYT A 30 53.069 49.258 5.087 1.00 0.00 SBOX ATOM 750 C2' CYT A 30 52.671 50.108 7.062 1.00 0.00 SBOX C ATOM 751 H2'' CYT A 30 53.380 50.910 6.858 1.00 0.00 SBOX ATOM 752 O2' CYT A 30 51.579 50.544 7.844 1.00 0.00 SBOX O ATOM 753 H2' CYT A 30 51.981 50.891 8.643 1.00 0.00 SBOX ATOM 754 O3' CYT A 30 51.120 50.087 5.007 1.00 0.00 SBOX O ATOM 755 P CYT A 31 51.382 51.328 4.108 1.00 0.00 SBOX P ATOM 756 O1P CYT A 31 52.243 50.969 3.009 1.00 0.00 SBOX ATOM 757 O2P CYT A 31 50.088 51.949 3.792 1.00 0.00 SBOX ATOM 758 O5' CYT A 31 52.150 52.374 5.055 1.00 0.00 SBOX O ATOM 759 C5' CYT A 31 51.370 53.191 5.926 1.00 0.00 SBOX C ATOM 760 H5' CYT A 31 50.868 52.527 6.630 1.00 0.00 SBOX ATOM 761 H5'' CYT A 31 50.711 53.704 5.226 1.00 0.00 SBOX ATOM 762 C4' CYT A 31 52.148 54.228 6.782 1.00 0.00 SBOX C ATOM 763 H4' CYT A 31 51.394 54.639 7.454 1.00 0.00 SBOX ATOM 764 O4' CYT A 31 53.240 53.657 7.555 1.00 0.00 SBOX O ATOM 765 C1' CYT A 31 54.232 54.633 7.677 1.00 0.00 SBOX C ATOM 766 H1' CYT A 31 54.357 54.834 8.741 1.00 0.00 SBOX ATOM 767 N1 CYT A 31 55.550 54.166 7.060 1.00 0.00 SBOX N ATOM 768 C6 CYT A 31 55.558 53.032 6.236 1.00 0.00 SBOX C ATOM 769 H6 CYT A 31 54.650 52.587 5.856 1.00 0.00 SBOX ATOM 770 C5 CYT A 31 56.766 52.563 5.849 1.00 0.00 SBOX C ATOM 771 H5 CYT A 31 56.816 51.631 5.305 1.00 0.00 SBOX ATOM 772 C4 CYT A 31 57.966 53.155 6.267 1.00 0.00 SBOX C ATOM 773 N4 CYT A 31 59.122 52.746 5.897 1.00 0.00 SBOX N ATOM 774 H41 CYT A 31 59.879 53.314 6.249 1.00 0.00 SBOX ATOM 775 H42 CYT A 31 59.268 51.965 5.272 1.00 0.00 SBOX ATOM 776 N3 CYT A 31 57.948 54.238 7.049 1.00 0.00 SBOX N ATOM 777 C2 CYT A 31 56.763 54.777 7.403 1.00 0.00 SBOX C ATOM 778 O2 CYT A 31 56.732 55.772 8.109 1.00 0.00 SBOX O ATOM 779 C3' CYT A 31 52.838 55.238 5.921 1.00 0.00 SBOX C ATOM 780 H3' CYT A 31 53.381 54.564 5.259 1.00 0.00 SBOX ATOM 781 C2' CYT A 31 53.689 55.909 6.992 1.00 0.00 SBOX C ATOM 782 H2'' CYT A 31 54.440 56.561 6.545 1.00 0.00 SBOX ATOM 783 O2' CYT A 31 52.870 56.676 7.865 1.00 0.00 SBOX O ATOM 784 H2' CYT A 31 53.406 56.829 8.647 1.00 0.00 SBOX ATOM 785 O3' CYT A 31 51.918 55.944 5.193 1.00 0.00 SBOX O ATOM 786 P GUA A 32 52.433 56.767 3.859 1.00 0.00 SBOX P ATOM 787 O1P GUA A 32 52.894 55.781 2.923 1.00 0.00 SBOX ATOM 788 O2P GUA A 32 51.440 57.687 3.308 1.00 0.00 SBOX ATOM 789 O5' GUA A 32 53.673 57.627 4.349 1.00 0.00 SBOX O ATOM 790 C5' GUA A 32 53.459 58.843 5.091 1.00 0.00 SBOX C ATOM 791 H5' GUA A 32 53.065 58.691 6.096 1.00 0.00 SBOX ATOM 792 H5'' GUA A 32 52.770 59.489 4.547 1.00 0.00 SBOX ATOM 793 C4' GUA A 32 54.860 59.470 5.275 1.00 0.00 SBOX C ATOM 794 H4' GUA A 32 54.707 60.349 5.901 1.00 0.00 SBOX ATOM 795 O4' GUA A 32 55.821 58.783 6.084 1.00 0.00 SBOX O ATOM 796 C1' GUA A 32 57.139 59.092 5.759 1.00 0.00 SBOX C ATOM 797 H1' GUA A 32 57.702 59.574 6.558 1.00 0.00 SBOX ATOM 798 N9 GUA A 32 57.705 57.834 5.214 1.00 0.00 SBOX N ATOM 799 C8 GUA A 32 56.996 56.758 4.734 1.00 0.00 SBOX C ATOM 800 H8 GUA A 32 55.934 56.636 4.892 1.00 0.00 SBOX ATOM 801 N7 GUA A 32 57.678 55.856 4.108 1.00 0.00 SBOX N ATOM 802 C5 GUA A 32 58.980 56.361 4.186 1.00 0.00 SBOX C ATOM 803 C6 GUA A 32 60.173 55.807 3.675 1.00 0.00 SBOX C ATOM 804 O6 GUA A 32 60.464 54.763 2.980 1.00 0.00 SBOX O ATOM 805 N1 GUA A 32 61.282 56.677 3.922 1.00 0.00 SBOX N ATOM 806 H1 GUA A 32 62.198 56.371 3.627 1.00 0.00 SBOX ATOM 807 C2 GUA A 32 61.183 57.901 4.469 1.00 0.00 SBOX C ATOM 808 N2 GUA A 32 62.323 58.512 4.728 1.00 0.00 SBOX N ATOM 809 H21 GUA A 32 63.204 58.126 4.418 1.00 0.00 SBOX ATOM 810 H22 GUA A 32 62.341 59.429 5.151 1.00 0.00 SBOX ATOM 811 N3 GUA A 32 60.054 58.370 5.064 1.00 0.00 SBOX N ATOM 812 C4 GUA A 32 58.975 57.556 4.831 1.00 0.00 SBOX C ATOM 813 C3' GUA A 32 55.640 59.681 4.024 1.00 0.00 SBOX C ATOM 814 H3' GUA A 32 55.712 58.713 3.527 1.00 0.00 SBOX ATOM 815 C2' GUA A 32 56.989 60.173 4.646 1.00 0.00 SBOX C ATOM 816 H2'' GUA A 32 57.743 60.138 3.860 1.00 0.00 SBOX ATOM 817 O2' GUA A 32 57.027 61.464 5.257 1.00 0.00 SBOX O ATOM 818 H2' GUA A 32 57.905 61.838 5.362 1.00 0.00 SBOX ATOM 819 O3' GUA A 32 55.128 60.448 3.012 1.00 0.00 SBOX O ATOM 820 P ADE A 33 55.513 60.168 1.547 1.00 0.00 SBOX P ATOM 821 O1P ADE A 33 56.860 59.622 1.425 1.00 0.00 SBOX ATOM 822 O2P ADE A 33 54.389 59.577 0.776 1.00 0.00 SBOX ATOM 823 O5' ADE A 33 55.662 61.628 0.998 1.00 0.00 SBOX O ATOM 824 C5' ADE A 33 56.681 62.470 1.645 1.00 0.00 SBOX C ATOM 825 H5' ADE A 33 57.652 61.976 1.685 1.00 0.00 SBOX ATOM 826 H5'' ADE A 33 56.384 62.772 2.650 1.00 0.00 SBOX ATOM 827 C4' ADE A 33 56.935 63.710 0.774 1.00 0.00 SBOX C ATOM 828 H4' ADE A 33 56.024 64.300 0.882 1.00 0.00 SBOX ATOM 829 O4' ADE A 33 58.067 64.365 1.244 1.00 0.00 SBOX O ATOM 830 C1' ADE A 33 58.917 64.670 0.089 1.00 0.00 SBOX C ATOM 831 H1' ADE A 33 58.769 65.615 -0.434 1.00 0.00 SBOX ATOM 832 N9 ADE A 33 60.316 64.551 0.490 1.00 0.00 SBOX N ATOM 833 C8 ADE A 33 61.388 65.405 0.099 1.00 0.00 SBOX C ATOM 834 H8 ADE A 33 61.243 66.364 -0.376 1.00 0.00 SBOX ATOM 835 N7 ADE A 33 62.517 64.755 0.200 1.00 0.00 SBOX N ATOM 836 C5 ADE A 33 62.303 63.625 1.006 1.00 0.00 SBOX C ATOM 837 C6 ADE A 33 63.121 62.593 1.545 1.00 0.00 SBOX C ATOM 838 N6 ADE A 33 64.419 62.658 1.448 1.00 0.00 SBOX N ATOM 839 H61 ADE A 33 64.902 61.856 1.826 1.00 0.00 SBOX ATOM 840 H62 ADE A 33 64.929 63.520 1.318 1.00 0.00 SBOX ATOM 841 N1 ADE A 33 62.608 61.444 2.014 1.00 0.00 SBOX N ATOM 842 C2 ADE A 33 61.290 61.462 2.034 1.00 0.00 SBOX C ATOM 843 H2 ADE A 33 60.972 60.549 2.515 1.00 0.00 SBOX ATOM 844 N3 ADE A 33 60.344 62.355 1.563 1.00 0.00 SBOX N ATOM 845 C4 ADE A 33 60.967 63.442 1.064 1.00 0.00 SBOX C ATOM 846 C3' ADE A 33 57.158 63.314 -0.671 1.00 0.00 SBOX C ATOM 847 H3' ADE A 33 57.126 62.231 -0.783 1.00 0.00 SBOX ATOM 848 C2' ADE A 33 58.583 63.656 -0.961 1.00 0.00 SBOX C ATOM 849 H2'' ADE A 33 59.149 62.753 -0.732 1.00 0.00 SBOX ATOM 850 O2' ADE A 33 58.769 64.059 -2.310 1.00 0.00 SBOX O ATOM 851 H2' ADE A 33 58.366 64.926 -2.391 1.00 0.00 SBOX ATOM 852 O3' ADE A 33 56.143 63.776 -1.590 1.00 0.00 SBOX O ATOM 853 P URA A 34 55.677 65.302 -1.773 1.00 0.00 SBOX P ATOM 854 O1P URA A 34 56.979 66.134 -1.823 1.00 0.00 SBOX ATOM 855 O2P URA A 34 54.891 65.343 -2.983 1.00 0.00 SBOX ATOM 856 O5' URA A 34 54.888 65.839 -0.437 1.00 0.00 SBOX O ATOM 857 C5' URA A 34 53.699 65.156 -0.006 1.00 0.00 SBOX C ATOM 858 H5' URA A 34 53.771 65.209 1.081 1.00 0.00 SBOX ATOM 859 H5'' URA A 34 53.703 64.068 -0.071 1.00 0.00 SBOX ATOM 860 C4' URA A 34 52.474 65.855 -0.476 1.00 0.00 SBOX C ATOM 861 H4' URA A 34 52.502 66.924 -0.266 1.00 0.00 SBOX ATOM 862 O4' URA A 34 52.054 65.526 -1.777 1.00 0.00 SBOX O ATOM 863 C1' URA A 34 50.801 64.852 -1.845 1.00 0.00 SBOX C ATOM 864 H1' URA A 34 50.162 65.301 -2.606 1.00 0.00 SBOX ATOM 865 N1 URA A 34 50.957 63.345 -2.089 1.00 0.00 SBOX N ATOM 866 C6 URA A 34 52.060 62.926 -2.812 1.00 0.00 SBOX C ATOM 867 H6 URA A 34 52.852 63.661 -2.833 1.00 0.00 SBOX ATOM 868 C5 URA A 34 52.106 61.739 -3.436 1.00 0.00 SBOX C ATOM 869 H5 URA A 34 52.946 61.452 -4.052 1.00 0.00 SBOX ATOM 870 C4 URA A 34 51.027 60.758 -3.229 1.00 0.00 SBOX C ATOM 871 O4 URA A 34 50.963 59.629 -3.668 1.00 0.00 SBOX O ATOM 872 N3 URA A 34 49.975 61.240 -2.477 1.00 0.00 SBOX N ATOM 873 H3 URA A 34 49.211 60.602 -2.303 1.00 0.00 SBOX ATOM 874 C2 URA A 34 49.817 62.524 -1.943 1.00 0.00 SBOX C ATOM 875 O2 URA A 34 48.837 62.761 -1.295 1.00 0.00 SBOX O ATOM 876 C3' URA A 34 51.441 65.296 0.489 1.00 0.00 SBOX C ATOM 877 H3' URA A 34 51.730 64.257 0.646 1.00 0.00 SBOX ATOM 878 C2' URA A 34 50.187 65.197 -0.349 1.00 0.00 SBOX C ATOM 879 H2'' URA A 34 49.546 64.405 0.037 1.00 0.00 SBOX ATOM 880 O2' URA A 34 49.590 66.490 -0.385 1.00 0.00 SBOX O ATOM 881 H2' URA A 34 49.249 66.652 0.498 1.00 0.00 SBOX ATOM 882 O3' URA A 34 51.088 65.993 1.697 1.00 0.00 SBOX O ATOM 883 P GUA A 35 51.793 65.567 3.068 1.00 0.00 SBOX P ATOM 884 O1P GUA A 35 50.776 65.779 4.157 1.00 0.00 SBOX ATOM 885 O2P GUA A 35 52.384 64.199 2.878 1.00 0.00 SBOX ATOM 886 O5' GUA A 35 52.903 66.622 3.179 1.00 0.00 SBOX O ATOM 887 C5' GUA A 35 53.710 66.758 4.339 1.00 0.00 SBOX C ATOM 888 H5' GUA A 35 53.007 66.831 5.169 1.00 0.00 SBOX ATOM 889 H5'' GUA A 35 54.217 67.722 4.374 1.00 0.00 SBOX ATOM 890 C4' GUA A 35 54.637 65.560 4.654 1.00 0.00 SBOX C ATOM 891 H4' GUA A 35 53.978 64.729 4.903 1.00 0.00 SBOX ATOM 892 O4' GUA A 35 55.354 65.193 3.502 1.00 0.00 SBOX O ATOM 893 C1' GUA A 35 56.721 65.555 3.766 1.00 0.00 SBOX C ATOM 894 H1' GUA A 35 57.349 64.737 3.412 1.00 0.00 SBOX ATOM 895 N9 GUA A 35 57.098 66.744 2.955 1.00 0.00 SBOX N ATOM 896 C8 GUA A 35 56.309 67.408 2.069 1.00 0.00 SBOX C ATOM 897 H8 GUA A 35 55.268 67.126 2.009 1.00 0.00 SBOX ATOM 898 N7 GUA A 35 56.895 68.433 1.428 1.00 0.00 SBOX N ATOM 899 C5 GUA A 35 58.252 68.367 1.898 1.00 0.00 SBOX C ATOM 900 C6 GUA A 35 59.467 69.055 1.372 1.00 0.00 SBOX C ATOM 901 O6 GUA A 35 59.686 69.847 0.473 1.00 0.00 SBOX O ATOM 902 N1 GUA A 35 60.528 68.686 2.132 1.00 0.00 SBOX N ATOM 903 H1 GUA A 35 61.325 69.304 2.180 1.00 0.00 SBOX ATOM 904 C2 GUA A 35 60.614 67.585 2.960 1.00 0.00 SBOX C ATOM 905 N2 GUA A 35 61.743 67.301 3.480 1.00 0.00 SBOX N ATOM 906 H21 GUA A 35 62.611 67.779 3.284 1.00 0.00 SBOX ATOM 907 H22 GUA A 35 61.747 66.459 4.038 1.00 0.00 SBOX ATOM 908 N3 GUA A 35 59.554 66.883 3.254 1.00 0.00 SBOX N ATOM 909 C4 GUA A 35 58.354 67.319 2.733 1.00 0.00 SBOX C ATOM 910 C3' GUA A 35 55.520 65.886 5.910 1.00 0.00 SBOX C ATOM 911 H3' GUA A 35 55.364 66.909 6.254 1.00 0.00 SBOX ATOM 912 C2' GUA A 35 56.912 65.886 5.306 1.00 0.00 SBOX C ATOM 913 H2'' GUA A 35 57.302 66.902 5.367 1.00 0.00 SBOX ATOM 914 O2' GUA A 35 57.830 64.874 5.877 1.00 0.00 SBOX O ATOM 915 H2' GUA A 35 57.627 64.935 6.814 1.00 0.00 SBOX ATOM 916 O3' GUA A 35 55.328 64.987 6.962 1.00 0.00 SBOX O ATOM 917 P ADE A 36 55.979 65.237 8.458 1.00 0.00 SBOX P ATOM 918 O1P ADE A 36 56.916 66.368 8.342 1.00 0.00 SBOX ATOM 919 O2P ADE A 36 54.905 65.321 9.448 1.00 0.00 SBOX ATOM 920 O5' ADE A 36 56.900 63.946 8.684 1.00 0.00 SBOX O ATOM 921 C5' ADE A 36 56.386 62.621 8.699 1.00 0.00 SBOX C ATOM 922 H5' ADE A 36 55.761 62.379 7.838 1.00 0.00 SBOX ATOM 923 H5'' ADE A 36 55.620 62.713 9.469 1.00 0.00 SBOX ATOM 924 C4' ADE A 36 57.262 61.440 9.162 1.00 0.00 SBOX C ATOM 925 H4' ADE A 36 56.615 60.579 9.329 1.00 0.00 SBOX ATOM 926 O4' ADE A 36 58.394 61.020 8.309 1.00 0.00 SBOX O ATOM 927 C1' ADE A 36 59.568 61.039 9.065 1.00 0.00 SBOX C ATOM 928 H1' ADE A 36 60.166 60.158 8.832 1.00 0.00 SBOX ATOM 929 N9 ADE A 36 60.199 62.382 8.819 1.00 0.00 SBOX N ATOM 930 C8 ADE A 36 59.803 63.338 7.991 1.00 0.00 SBOX C ATOM 931 H8 ADE A 36 58.903 63.236 7.403 1.00 0.00 SBOX ATOM 932 N7 ADE A 36 60.603 64.377 7.949 1.00 0.00 SBOX N ATOM 933 C5 ADE A 36 61.674 63.980 8.785 1.00 0.00 SBOX C ATOM 934 C6 ADE A 36 62.900 64.595 9.230 1.00 0.00 SBOX C ATOM 935 N6 ADE A 36 63.216 65.835 8.960 1.00 0.00 SBOX N ATOM 936 H61 ADE A 36 64.096 66.051 9.407 1.00 0.00 SBOX ATOM 937 H62 ADE A 36 62.506 66.403 8.521 1.00 0.00 SBOX ATOM 938 N1 ADE A 36 63.750 63.975 10.033 1.00 0.00 SBOX N ATOM 939 C2 ADE A 36 63.380 62.773 10.392 1.00 0.00 SBOX C ATOM 940 H2 ADE A 36 64.004 62.175 11.039 1.00 0.00 SBOX ATOM 941 N3 ADE A 36 62.263 62.124 10.162 1.00 0.00 SBOX N ATOM 942 C4 ADE A 36 61.437 62.762 9.321 1.00 0.00 SBOX C ATOM 943 C3' ADE A 36 57.841 61.629 10.565 1.00 0.00 SBOX C ATOM 944 H3' ADE A 36 58.115 62.682 10.637 1.00 0.00 SBOX ATOM 945 C2' ADE A 36 59.123 60.889 10.543 1.00 0.00 SBOX C ATOM 946 H2'' ADE A 36 59.853 61.289 11.248 1.00 0.00 SBOX ATOM 947 O2' ADE A 36 58.761 59.577 10.890 1.00 0.00 SBOX O ATOM 948 H2' ADE A 36 57.883 59.616 11.277 1.00 0.00 SBOX ATOM 949 O3' ADE A 36 56.941 61.268 11.589 1.00 0.00 SBOX O ATOM 950 P ADE A 37 56.996 61.991 12.967 1.00 0.00 SBOX P ATOM 951 O1P ADE A 37 56.655 63.371 12.742 1.00 0.00 SBOX ATOM 952 O2P ADE A 37 56.151 61.188 13.865 1.00 0.00 SBOX ATOM 953 O5' ADE A 37 58.482 61.833 13.511 1.00 0.00 SBOX O ATOM 954 C5' ADE A 37 58.940 60.653 14.061 1.00 0.00 SBOX C ATOM 955 H5' ADE A 37 58.926 59.829 13.347 1.00 0.00 SBOX ATOM 956 H5'' ADE A 37 58.294 60.333 14.879 1.00 0.00 SBOX ATOM 957 C4' ADE A 37 60.451 60.712 14.507 1.00 0.00 SBOX C ATOM 958 H4' ADE A 37 60.787 59.698 14.725 1.00 0.00 SBOX ATOM 959 O4' ADE A 37 61.239 61.208 13.408 1.00 0.00 SBOX O ATOM 960 C1' ADE A 37 62.296 62.064 13.748 1.00 0.00 SBOX C ATOM 961 H1' ADE A 37 63.266 61.743 13.369 1.00 0.00 SBOX ATOM 962 N9 ADE A 37 62.065 63.412 13.288 1.00 0.00 SBOX N ATOM 963 C8 ADE A 37 60.958 63.835 12.622 1.00 0.00 SBOX C ATOM 964 H8 ADE A 37 60.117 63.172 12.483 1.00 0.00 SBOX ATOM 965 N7 ADE A 37 61.005 64.990 12.107 1.00 0.00 SBOX N ATOM 966 C5 ADE A 37 62.246 65.464 12.635 1.00 0.00 SBOX C ATOM 967 C6 ADE A 37 62.991 66.667 12.488 1.00 0.00 SBOX C ATOM 968 N6 ADE A 37 62.620 67.807 11.986 1.00 0.00 SBOX N ATOM 969 H61 ADE A 37 63.316 68.536 11.924 1.00 0.00 SBOX ATOM 970 H62 ADE A 37 61.673 67.930 11.657 1.00 0.00 SBOX ATOM 971 N1 ADE A 37 64.252 66.670 12.958 1.00 0.00 SBOX N ATOM 972 C2 ADE A 37 64.713 65.706 13.730 1.00 0.00 SBOX C ATOM 973 H2 ADE A 37 65.711 65.808 14.128 1.00 0.00 SBOX ATOM 974 N3 ADE A 37 64.113 64.575 13.964 1.00 0.00 SBOX N ATOM 975 C4 ADE A 37 62.877 64.501 13.369 1.00 0.00 SBOX C ATOM 976 C3' ADE A 37 60.796 61.659 15.647 1.00 0.00 SBOX C ATOM 977 H3' ADE A 37 60.159 62.542 15.593 1.00 0.00 SBOX ATOM 978 C2' ADE A 37 62.257 62.095 15.314 1.00 0.00 SBOX C ATOM 979 H2'' ADE A 37 62.503 63.101 15.651 1.00 0.00 SBOX ATOM 980 O2' ADE A 37 63.188 61.021 15.703 1.00 0.00 SBOX O ATOM 981 H2' ADE A 37 62.715 60.228 15.965 1.00 0.00 SBOX ATOM 982 O3' ADE A 37 60.597 61.095 16.889 1.00 0.00 SBOX O ATOM 983 P ADE A 38 60.055 62.080 18.047 1.00 0.00 SBOX P ATOM 984 O1P ADE A 38 58.666 62.520 17.592 1.00 0.00 SBOX ATOM 985 O2P ADE A 38 60.250 61.422 19.310 1.00 0.00 SBOX ATOM 986 O5' ADE A 38 60.964 63.405 17.968 1.00 0.00 SBOX O ATOM 987 C5' ADE A 38 62.277 63.526 18.417 1.00 0.00 SBOX C ATOM 988 H5' ADE A 38 62.939 62.823 17.910 1.00 0.00 SBOX ATOM 989 H5'' ADE A 38 62.393 63.256 19.467 1.00 0.00 SBOX ATOM 990 C4' ADE A 38 62.815 64.968 18.396 1.00 0.00 SBOX C ATOM 991 H4' ADE A 38 63.747 64.925 18.960 1.00 0.00 SBOX ATOM 992 O4' ADE A 38 63.166 65.256 17.105 1.00 0.00 SBOX O ATOM 993 C1' ADE A 38 62.719 66.586 16.869 1.00 0.00 SBOX C ATOM 994 H1' ADE A 38 63.543 67.191 16.489 1.00 0.00 SBOX ATOM 995 N9 ADE A 38 61.465 66.732 16.094 1.00 0.00 SBOX N ATOM 996 C8 ADE A 38 60.566 65.743 15.718 1.00 0.00 SBOX C ATOM 997 H8 ADE A 38 60.585 64.785 16.215 1.00 0.00 SBOX ATOM 998 N7 ADE A 38 59.717 66.148 14.810 1.00 0.00 SBOX N ATOM 999 C5 ADE A 38 60.070 67.501 14.598 1.00 0.00 SBOX C ATOM 1000 C6 ADE A 38 59.610 68.536 13.777 1.00 0.00 SBOX C ATOM 1001 N6 ADE A 38 58.600 68.422 12.952 1.00 0.00 SBOX N ATOM 1002 H61 ADE A 38 58.141 69.126 12.391 1.00 0.00 SBOX ATOM 1003 H62 ADE A 38 58.148 67.524 12.857 1.00 0.00 SBOX ATOM 1004 N1 ADE A 38 60.235 69.732 13.797 1.00 0.00 SBOX N ATOM 1005 C2 ADE A 38 61.258 69.915 14.556 1.00 0.00 SBOX C ATOM 1006 H2 ADE A 38 61.616 70.931 14.634 1.00 0.00 SBOX ATOM 1007 N3 ADE A 38 61.783 69.114 15.488 1.00 0.00 SBOX N ATOM 1008 C4 ADE A 38 61.130 67.882 15.386 1.00 0.00 SBOX C ATOM 1009 C3' ADE A 38 61.999 66.047 19.077 1.00 0.00 SBOX C ATOM 1010 H3' ADE A 38 61.002 65.793 18.715 1.00 0.00 SBOX ATOM 1011 C2' ADE A 38 62.505 67.216 18.216 1.00 0.00 SBOX C ATOM 1012 H2'' ADE A 38 61.719 67.967 18.300 1.00 0.00 SBOX ATOM 1013 O2' ADE A 38 63.630 67.879 18.750 1.00 0.00 SBOX O ATOM 1014 H2' ADE A 38 63.684 67.651 19.681 1.00 0.00 SBOX ATOM 1015 O3' ADE A 38 62.230 66.294 20.430 1.00 0.00 SBOX O ATOM 1016 P CYT A 39 61.069 66.817 21.352 1.00 0.00 SBOX P ATOM 1017 O1P CYT A 39 59.772 66.173 20.949 1.00 0.00 SBOX ATOM 1018 O2P CYT A 39 61.610 66.615 22.761 1.00 0.00 SBOX ATOM 1019 O5' CYT A 39 60.956 68.367 21.015 1.00 0.00 SBOX O ATOM 1020 C5' CYT A 39 61.988 69.280 21.392 1.00 0.00 SBOX C ATOM 1021 H5' CYT A 39 62.930 68.865 21.032 1.00 0.00 SBOX ATOM 1022 H5'' CYT A 39 62.029 69.359 22.478 1.00 0.00 SBOX ATOM 1023 C4' CYT A 39 61.804 70.796 20.834 1.00 0.00 SBOX C ATOM 1024 H4' CYT A 39 62.573 71.466 21.218 1.00 0.00 SBOX ATOM 1025 O4' CYT A 39 61.762 70.748 19.390 1.00 0.00 SBOX O ATOM 1026 C1' CYT A 39 60.722 71.648 18.860 1.00 0.00 SBOX C ATOM 1027 H1' CYT A 39 61.290 72.359 18.260 1.00 0.00 SBOX ATOM 1028 N1 CYT A 39 59.762 70.981 17.980 1.00 0.00 SBOX N ATOM 1029 C6 CYT A 39 59.485 69.640 18.038 1.00 0.00 SBOX C ATOM 1030 H6 CYT A 39 59.932 69.032 18.810 1.00 0.00 SBOX ATOM 1031 C5 CYT A 39 58.510 69.073 17.294 1.00 0.00 SBOX C ATOM 1032 H5 CYT A 39 58.329 68.011 17.368 1.00 0.00 SBOX ATOM 1033 C4 CYT A 39 57.919 69.903 16.292 1.00 0.00 SBOX C ATOM 1034 N4 CYT A 39 57.073 69.336 15.552 1.00 0.00 SBOX N ATOM 1035 H41 CYT A 39 56.678 69.758 14.724 1.00 0.00 SBOX ATOM 1036 H42 CYT A 39 56.895 68.360 15.736 1.00 0.00 SBOX ATOM 1037 N3 CYT A 39 58.273 71.188 16.110 1.00 0.00 SBOX N ATOM 1038 C2 CYT A 39 59.112 71.733 17.004 1.00 0.00 SBOX C ATOM 1039 O2 CYT A 39 59.250 72.978 16.988 1.00 0.00 SBOX O ATOM 1040 C3' CYT A 39 60.409 71.225 21.214 1.00 0.00 SBOX C ATOM 1041 H3' CYT A 39 59.680 70.415 21.248 1.00 0.00 SBOX ATOM 1042 C2' CYT A 39 60.049 72.246 20.069 1.00 0.00 SBOX C ATOM 1043 H2'' CYT A 39 58.960 72.284 20.061 1.00 0.00 SBOX ATOM 1044 O2' CYT A 39 60.595 73.509 20.206 1.00 0.00 SBOX O ATOM 1045 H2' CYT A 39 60.349 73.955 21.020 1.00 0.00 SBOX ATOM 1046 O3' CYT A 39 60.564 72.005 22.381 1.00 0.00 SBOX O ATOM 1047 P CYT A 40 59.332 72.268 23.411 1.00 0.00 SBOX P ATOM 1048 O1P CYT A 40 58.515 71.052 23.496 1.00 0.00 SBOX ATOM 1049 O2P CYT A 40 59.894 72.913 24.560 1.00 0.00 SBOX ATOM 1050 O5' CYT A 40 58.471 73.375 22.594 1.00 0.00 SBOX O ATOM 1051 C5' CYT A 40 58.793 74.716 22.593 1.00 0.00 SBOX C ATOM 1052 H5' CYT A 40 59.857 74.888 22.426 1.00 0.00 SBOX ATOM 1053 H5'' CYT A 40 58.666 75.092 23.608 1.00 0.00 SBOX ATOM 1054 C4' CYT A 40 57.939 75.553 21.596 1.00 0.00 SBOX C ATOM 1055 H4' CYT A 40 58.098 76.631 21.630 1.00 0.00 SBOX ATOM 1056 O4' CYT A 40 57.952 75.052 20.232 1.00 0.00 SBOX O ATOM 1057 C1' CYT A 40 56.700 75.301 19.563 1.00 0.00 SBOX C ATOM 1058 H1' CYT A 40 56.862 75.950 18.702 1.00 0.00 SBOX ATOM 1059 N1 CYT A 40 56.175 74.025 18.955 1.00 0.00 SBOX N ATOM 1060 C6 CYT A 40 56.364 72.784 19.544 1.00 0.00 SBOX C ATOM 1061 H6 CYT A 40 56.989 72.731 20.423 1.00 0.00 SBOX ATOM 1062 C5 CYT A 40 55.981 71.728 18.869 1.00 0.00 SBOX C ATOM 1063 H5 CYT A 40 56.364 70.753 19.135 1.00 0.00 SBOX ATOM 1064 C4 CYT A 40 55.156 71.896 17.755 1.00 0.00 SBOX C ATOM 1065 N4 CYT A 40 54.567 70.847 17.268 1.00 0.00 SBOX N ATOM 1066 H41 CYT A 40 53.977 71.053 16.475 1.00 0.00 SBOX ATOM 1067 H42 CYT A 40 54.781 69.936 17.646 1.00 0.00 SBOX ATOM 1068 N3 CYT A 40 54.818 73.057 17.217 1.00 0.00 SBOX N ATOM 1069 C2 CYT A 40 55.294 74.165 17.872 1.00 0.00 SBOX C ATOM 1070 O2 CYT A 40 54.918 75.287 17.467 1.00 0.00 SBOX O ATOM 1071 C3' CYT A 40 56.526 75.579 21.976 1.00 0.00 SBOX C ATOM 1072 H3' CYT A 40 56.335 74.559 22.307 1.00 0.00 SBOX ATOM 1073 C2' CYT A 40 55.793 75.834 20.673 1.00 0.00 SBOX C ATOM 1074 H2'' CYT A 40 54.837 75.311 20.656 1.00 0.00 SBOX ATOM 1075 O2' CYT A 40 55.658 77.221 20.413 1.00 0.00 SBOX O ATOM 1076 H2' CYT A 40 55.064 77.281 19.661 1.00 0.00 SBOX ATOM 1077 O3' CYT A 40 56.132 76.531 22.994 1.00 0.00 SBOX O ATOM 1078 P CYT A 41 54.851 76.410 23.911 1.00 0.00 SBOX P ATOM 1079 O1P CYT A 41 54.759 75.063 24.593 1.00 0.00 SBOX ATOM 1080 O2P CYT A 41 54.838 77.576 24.780 1.00 0.00 SBOX ATOM 1081 O5' CYT A 41 53.696 76.419 22.865 1.00 0.00 SBOX O ATOM 1082 C5' CYT A 41 52.938 77.577 22.540 1.00 0.00 SBOX C ATOM 1083 H5' CYT A 41 53.608 78.404 22.307 1.00 0.00 SBOX ATOM 1084 H5'' CYT A 41 52.295 77.759 23.401 1.00 0.00 SBOX ATOM 1085 C4' CYT A 41 51.975 77.335 21.411 1.00 0.00 SBOX C ATOM 1086 H4' CYT A 41 51.896 78.352 21.027 1.00 0.00 SBOX ATOM 1087 O4' CYT A 41 52.677 76.486 20.497 1.00 0.00 SBOX O ATOM 1088 C1' CYT A 41 51.695 75.774 19.762 1.00 0.00 SBOX C ATOM 1089 H1' CYT A 41 51.711 76.071 18.713 1.00 0.00 SBOX ATOM 1090 N1 CYT A 41 51.996 74.302 19.921 1.00 0.00 SBOX N ATOM 1091 C6 CYT A 41 52.666 73.795 20.987 1.00 0.00 SBOX C ATOM 1092 H6 CYT A 41 52.810 74.440 21.842 1.00 0.00 SBOX ATOM 1093 C5 CYT A 41 52.758 72.455 21.112 1.00 0.00 SBOX C ATOM 1094 H5 CYT A 41 53.141 71.988 22.007 1.00 0.00 SBOX ATOM 1095 C4 CYT A 41 52.303 71.655 20.017 1.00 0.00 SBOX C ATOM 1096 N4 CYT A 41 52.551 70.398 20.041 1.00 0.00 SBOX N ATOM 1097 H41 CYT A 41 52.244 69.900 19.219 1.00 0.00 SBOX ATOM 1098 H42 CYT A 41 52.892 69.971 20.891 1.00 0.00 SBOX ATOM 1099 N3 CYT A 41 51.689 72.153 18.993 1.00 0.00 SBOX N ATOM 1100 C2 CYT A 41 51.571 73.429 18.897 1.00 0.00 SBOX C ATOM 1101 O2 CYT A 41 51.067 73.994 17.897 1.00 0.00 SBOX O ATOM 1102 C3' CYT A 41 50.669 76.607 21.790 1.00 0.00 SBOX C ATOM 1103 H3' CYT A 41 50.949 75.829 22.500 1.00 0.00 SBOX ATOM 1104 C2' CYT A 41 50.331 76.029 20.413 1.00 0.00 SBOX C ATOM 1105 H2'' CYT A 41 49.624 75.201 20.471 1.00 0.00 SBOX ATOM 1106 O2' CYT A 41 49.722 76.983 19.610 1.00 0.00 SBOX O ATOM 1107 H2' CYT A 41 50.357 77.650 19.340 1.00 0.00 SBOX ATOM 1108 O3' CYT A 41 49.661 77.506 22.324 1.00 0.00 SBOX O ATOM 1109 P GUA A 42 48.419 76.745 23.067 1.00 0.00 SBOX P ATOM 1110 O1P GUA A 42 48.922 76.179 24.313 1.00 0.00 SBOX ATOM 1111 O2P GUA A 42 47.483 77.889 23.203 1.00 0.00 SBOX ATOM 1112 O5' GUA A 42 47.729 75.570 22.126 1.00 0.00 SBOX O ATOM 1113 C5' GUA A 42 46.785 75.911 21.160 1.00 0.00 SBOX C ATOM 1114 H5' GUA A 42 47.260 76.539 20.407 1.00 0.00 SBOX ATOM 1115 H5'' GUA A 42 45.837 76.321 21.508 1.00 0.00 SBOX ATOM 1116 C4' GUA A 42 46.231 74.667 20.413 1.00 0.00 SBOX C ATOM 1117 H4' GUA A 42 45.521 75.079 19.695 1.00 0.00 SBOX ATOM 1118 O4' GUA A 42 47.308 73.999 19.746 1.00 0.00 SBOX O ATOM 1119 C1' GUA A 42 46.946 72.590 19.763 1.00 0.00 SBOX C ATOM 1120 H1' GUA A 42 46.907 72.159 18.763 1.00 0.00 SBOX ATOM 1121 N9 GUA A 42 47.996 71.837 20.472 1.00 0.00 SBOX N ATOM 1122 C8 GUA A 42 48.818 72.373 21.440 1.00 0.00 SBOX C ATOM 1123 H8 GUA A 42 48.683 73.411 21.706 1.00 0.00 SBOX ATOM 1124 N7 GUA A 42 49.481 71.485 22.078 1.00 0.00 SBOX N ATOM 1125 C5 GUA A 42 49.145 70.315 21.420 1.00 0.00 SBOX C ATOM 1126 C6 GUA A 42 49.587 68.906 21.624 1.00 0.00 SBOX C ATOM 1127 O6 GUA A 42 50.408 68.533 22.461 1.00 0.00 SBOX O ATOM 1128 N1 GUA A 42 48.958 67.973 20.901 1.00 0.00 SBOX N ATOM 1129 H1 GUA A 42 49.162 67.003 21.094 1.00 0.00 SBOX ATOM 1130 C2 GUA A 42 47.821 68.282 20.228 1.00 0.00 SBOX C ATOM 1131 N2 GUA A 42 47.053 67.305 19.890 1.00 0.00 SBOX N ATOM 1132 H21 GUA A 42 47.275 66.358 20.165 1.00 0.00 SBOX ATOM 1133 H22 GUA A 42 46.373 67.413 19.150 1.00 0.00 SBOX ATOM 1134 N3 GUA A 42 47.457 69.502 19.813 1.00 0.00 SBOX N ATOM 1135 C4 GUA A 42 48.163 70.550 20.446 1.00 0.00 SBOX C ATOM 1136 C3' GUA A 42 45.525 73.613 21.296 1.00 0.00 SBOX C ATOM 1137 H3' GUA A 42 46.099 73.460 22.210 1.00 0.00 SBOX ATOM 1138 C2' GUA A 42 45.556 72.418 20.320 1.00 0.00 SBOX C ATOM 1139 H2'' GUA A 42 45.462 71.461 20.833 1.00 0.00 SBOX ATOM 1140 O2' GUA A 42 44.618 72.421 19.227 1.00 0.00 SBOX O ATOM 1141 H2' GUA A 42 44.051 71.647 19.201 1.00 0.00 SBOX ATOM 1142 O3' GUA A 42 44.222 73.992 21.716 1.00 0.00 SBOX O ATOM 1143 P GUA A 43 43.420 73.155 22.773 1.00 0.00 SBOX P ATOM 1144 O1P GUA A 43 44.169 73.346 24.000 1.00 0.00 SBOX ATOM 1145 O2P GUA A 43 42.097 73.639 22.809 1.00 0.00 SBOX ATOM 1146 O5' GUA A 43 43.333 71.663 22.299 1.00 0.00 SBOX O ATOM 1147 C5' GUA A 43 42.250 71.154 21.522 1.00 0.00 SBOX C ATOM 1148 H5' GUA A 43 42.149 71.654 20.559 1.00 0.00 SBOX ATOM 1149 H5'' GUA A 43 41.282 71.373 21.974 1.00 0.00 SBOX ATOM 1150 C4' GUA A 43 42.420 69.679 21.233 1.00 0.00 SBOX C ATOM 1151 H4' GUA A 43 41.925 69.275 20.350 1.00 0.00 SBOX ATOM 1152 O4' GUA A 43 43.760 69.366 21.063 1.00 0.00 SBOX O ATOM 1153 C1' GUA A 43 44.018 68.027 21.530 1.00 0.00 SBOX C ATOM 1154 H1' GUA A 43 44.429 67.304 20.825 1.00 0.00 SBOX ATOM 1155 N9 GUA A 43 45.004 68.111 22.604 1.00 0.00 SBOX N ATOM 1156 C8 GUA A 43 45.593 69.214 23.146 1.00 0.00 SBOX C ATOM 1157 H8 GUA A 43 45.267 70.228 22.968 1.00 0.00 SBOX ATOM 1158 N7 GUA A 43 46.590 68.969 23.931 1.00 0.00 SBOX N ATOM 1159 C5 GUA A 43 46.829 67.595 23.831 1.00 0.00 SBOX C ATOM 1160 C6 GUA A 43 47.764 66.673 24.396 1.00 0.00 SBOX C ATOM 1161 O6 GUA A 43 48.724 66.940 25.067 1.00 0.00 SBOX O ATOM 1162 N1 GUA A 43 47.524 65.391 24.100 1.00 0.00 SBOX N ATOM 1163 H1 GUA A 43 48.224 64.715 24.370 1.00 0.00 SBOX ATOM 1164 C2 GUA A 43 46.460 64.993 23.414 1.00 0.00 SBOX C ATOM 1165 N2 GUA A 43 46.210 63.747 23.481 1.00 0.00 SBOX N ATOM 1166 H21 GUA A 43 46.873 63.233 24.044 1.00 0.00 SBOX ATOM 1167 H22 GUA A 43 45.309 63.396 23.191 1.00 0.00 SBOX ATOM 1168 N3 GUA A 43 45.608 65.784 22.838 1.00 0.00 SBOX N ATOM 1169 C4 GUA A 43 45.782 67.063 23.088 1.00 0.00 SBOX C ATOM 1170 C3' GUA A 43 41.963 68.793 22.429 1.00 0.00 SBOX C ATOM 1171 H3' GUA A 43 42.249 69.161 23.414 1.00 0.00 SBOX ATOM 1172 C2' GUA A 43 42.753 67.538 22.020 1.00 0.00 SBOX C ATOM 1173 H2'' GUA A 43 42.725 66.883 22.890 1.00 0.00 SBOX ATOM 1174 O2' GUA A 43 42.102 66.834 20.950 1.00 0.00 SBOX O ATOM 1175 H2' GUA A 43 42.011 65.947 21.305 1.00 0.00 SBOX ATOM 1176 O3' GUA A 43 40.503 68.708 22.495 1.00 0.00 SBOX O ATOM 1177 P CYT A 44 39.708 68.121 23.749 1.00 0.00 SBOX P ATOM 1178 O1P CYT A 44 40.146 68.844 24.936 1.00 0.00 SBOX ATOM 1179 O2P CYT A 44 38.303 68.166 23.441 1.00 0.00 SBOX ATOM 1180 O5' CYT A 44 40.191 66.564 23.982 1.00 0.00 SBOX O ATOM 1181 C5' CYT A 44 39.742 65.583 23.115 1.00 0.00 SBOX C ATOM 1182 H5' CYT A 44 39.951 65.972 22.118 1.00 0.00 SBOX ATOM 1183 H5'' CYT A 44 38.674 65.398 23.227 1.00 0.00 SBOX ATOM 1184 C4' CYT A 44 40.584 64.296 23.212 1.00 0.00 SBOX C ATOM 1185 H4' CYT A 44 40.152 63.726 22.390 1.00 0.00 SBOX ATOM 1186 O4' CYT A 44 42.039 64.466 23.071 1.00 0.00 SBOX O ATOM 1187 C1' CYT A 44 42.677 63.628 24.047 1.00 0.00 SBOX C ATOM 1188 H1' CYT A 44 43.520 63.068 23.642 1.00 0.00 SBOX ATOM 1189 N1 CYT A 44 43.300 64.384 25.202 1.00 0.00 SBOX N ATOM 1190 C6 CYT A 44 42.985 65.686 25.390 1.00 0.00 SBOX C ATOM 1191 H6 CYT A 44 42.181 66.103 24.803 1.00 0.00 SBOX ATOM 1192 C5 CYT A 44 43.783 66.557 26.097 1.00 0.00 SBOX C ATOM 1193 H5 CYT A 44 43.566 67.615 26.127 1.00 0.00 SBOX ATOM 1194 C4 CYT A 44 44.956 65.963 26.686 1.00 0.00 SBOX C ATOM 1195 N4 CYT A 44 45.922 66.690 27.070 1.00 0.00 SBOX N ATOM 1196 H41 CYT A 44 46.847 66.341 27.279 1.00 0.00 SBOX ATOM 1197 H42 CYT A 44 45.845 67.680 26.888 1.00 0.00 SBOX ATOM 1198 N3 CYT A 44 45.197 64.650 26.627 1.00 0.00 SBOX N ATOM 1199 C2 CYT A 44 44.369 63.832 25.939 1.00 0.00 SBOX C ATOM 1200 O2 CYT A 44 44.508 62.650 25.907 1.00 0.00 SBOX O ATOM 1201 C3' CYT A 44 40.351 63.511 24.531 1.00 0.00 SBOX C ATOM 1202 H3' CYT A 44 40.391 64.180 25.391 1.00 0.00 SBOX ATOM 1203 C2' CYT A 44 41.598 62.623 24.599 1.00 0.00 SBOX C ATOM 1204 H2'' CYT A 44 41.893 62.182 25.552 1.00 0.00 SBOX ATOM 1205 O2' CYT A 44 41.785 61.552 23.641 1.00 0.00 SBOX O ATOM 1206 H2' CYT A 44 42.452 60.966 24.006 1.00 0.00 SBOX ATOM 1207 O3' CYT A 44 39.225 62.637 24.694 1.00 0.00 SBOX O ATOM 1208 P ADE A 45 38.758 62.387 26.173 1.00 0.00 SBOX P ATOM 1209 O1P ADE A 45 38.438 63.722 26.774 1.00 0.00 SBOX ATOM 1210 O2P ADE A 45 37.721 61.338 26.162 1.00 0.00 SBOX ATOM 1211 O5' ADE A 45 39.962 61.765 27.052 1.00 0.00 SBOX O ATOM 1212 C5' ADE A 45 40.415 60.401 26.918 1.00 0.00 SBOX C ATOM 1213 H5' ADE A 45 40.666 60.218 25.873 1.00 0.00 SBOX ATOM 1214 H5'' ADE A 45 39.598 59.684 27.004 1.00 0.00 SBOX ATOM 1215 C4' ADE A 45 41.534 60.227 27.965 1.00 0.00 SBOX C ATOM 1216 H4' ADE A 45 42.013 59.251 27.898 1.00 0.00 SBOX ATOM 1217 O4' ADE A 45 42.547 61.139 27.730 1.00 0.00 SBOX O ATOM 1218 C1' ADE A 45 43.087 61.494 29.042 1.00 0.00 SBOX C ATOM 1219 H1' ADE A 45 44.166 61.346 29.077 1.00 0.00 SBOX ATOM 1220 N9 ADE A 45 42.941 62.963 29.266 1.00 0.00 SBOX N ATOM 1221 C8 ADE A 45 42.120 63.871 28.570 1.00 0.00 SBOX C ATOM 1222 H8 ADE A 45 41.419 63.581 27.801 1.00 0.00 SBOX ATOM 1223 N7 ADE A 45 42.288 65.115 28.974 1.00 0.00 SBOX N ATOM 1224 C5 ADE A 45 43.334 65.029 29.862 1.00 0.00 SBOX C ATOM 1225 C6 ADE A 45 44.292 65.884 30.441 1.00 0.00 SBOX C ATOM 1226 N6 ADE A 45 44.229 67.192 30.334 1.00 0.00 SBOX N ATOM 1227 H61 ADE A 45 44.949 67.709 30.817 1.00 0.00 SBOX ATOM 1228 H62 ADE A 45 43.485 67.579 29.771 1.00 0.00 SBOX ATOM 1229 N1 ADE A 45 45.274 65.479 31.220 1.00 0.00 SBOX N ATOM 1230 C2 ADE A 45 45.344 64.161 31.472 1.00 0.00 SBOX C ATOM 1231 H2 ADE A 45 46.213 63.909 32.061 1.00 0.00 SBOX ATOM 1232 N3 ADE A 45 44.633 63.234 30.947 1.00 0.00 SBOX N ATOM 1233 C4 ADE A 45 43.695 63.702 30.138 1.00 0.00 SBOX C ATOM 1234 C3' ADE A 45 41.042 60.332 29.367 1.00 0.00 SBOX C ATOM 1235 H3' ADE A 45 40.305 61.128 29.476 1.00 0.00 SBOX ATOM 1236 C2' ADE A 45 42.449 60.668 30.050 1.00 0.00 SBOX C ATOM 1237 H2'' ADE A 45 42.305 61.216 30.981 1.00 0.00 SBOX ATOM 1238 O2' ADE A 45 43.291 59.505 30.276 1.00 0.00 SBOX O ATOM 1239 H2' ADE A 45 44.125 59.781 30.663 1.00 0.00 SBOX ATOM 1240 O3' ADE A 45 40.536 59.104 29.877 1.00 0.00 SBOX O ATOM 1241 P ADE A 46 39.769 58.921 31.290 1.00 0.00 SBOX P ATOM 1242 O1P ADE A 46 38.626 59.811 31.429 1.00 0.00 SBOX ATOM 1243 O2P ADE A 46 39.526 57.519 31.381 1.00 0.00 SBOX ATOM 1244 O5' ADE A 46 40.825 59.389 32.523 1.00 0.00 SBOX O ATOM 1245 C5' ADE A 46 41.841 58.582 33.033 1.00 0.00 SBOX C ATOM 1246 H5' ADE A 46 42.560 58.359 32.245 1.00 0.00 SBOX ATOM 1247 H5'' ADE A 46 41.407 57.630 33.337 1.00 0.00 SBOX ATOM 1248 C4' ADE A 46 42.565 59.244 34.177 1.00 0.00 SBOX C ATOM 1249 H4' ADE A 46 43.434 58.617 34.378 1.00 0.00 SBOX ATOM 1250 O4' ADE A 46 42.931 60.539 33.671 1.00 0.00 SBOX O ATOM 1251 C1' ADE A 46 42.483 61.589 34.526 1.00 0.00 SBOX C ATOM 1252 H1' ADE A 46 43.379 62.146 34.801 1.00 0.00 SBOX ATOM 1253 N9 ADE A 46 41.614 62.528 33.854 1.00 0.00 SBOX N ATOM 1254 C8 ADE A 46 40.327 62.352 33.316 1.00 0.00 SBOX C ATOM 1255 H8 ADE A 46 39.899 61.364 33.222 1.00 0.00 SBOX ATOM 1256 N7 ADE A 46 39.809 63.393 32.682 1.00 0.00 SBOX N ATOM 1257 C5 ADE A 46 40.798 64.385 32.873 1.00 0.00 SBOX C ATOM 1258 C6 ADE A 46 41.021 65.783 32.608 1.00 0.00 SBOX C ATOM 1259 N6 ADE A 46 40.219 66.646 31.978 1.00 0.00 SBOX N ATOM 1260 H61 ADE A 46 40.630 67.553 31.811 1.00 0.00 SBOX ATOM 1261 H62 ADE A 46 39.465 66.276 31.415 1.00 0.00 SBOX ATOM 1262 N1 ADE A 46 42.108 66.427 32.988 1.00 0.00 SBOX N ATOM 1263 C2 ADE A 46 43.032 65.778 33.688 1.00 0.00 SBOX C ATOM 1264 H2 ADE A 46 43.920 66.324 33.967 1.00 0.00 SBOX ATOM 1265 N3 ADE A 46 42.960 64.527 34.066 1.00 0.00 SBOX N ATOM 1266 C4 ADE A 46 41.843 63.860 33.613 1.00 0.00 SBOX C ATOM 1267 C3' ADE A 46 41.734 59.482 35.451 1.00 0.00 SBOX C ATOM 1268 H3' ADE A 46 40.698 59.338 35.146 1.00 0.00 SBOX ATOM 1269 C2' ADE A 46 41.958 60.917 35.790 1.00 0.00 SBOX C ATOM 1270 H2'' ADE A 46 41.098 61.440 36.210 1.00 0.00 SBOX ATOM 1271 O2' ADE A 46 43.021 61.054 36.721 1.00 0.00 SBOX O ATOM 1272 H2' ADE A 46 43.090 60.236 37.218 1.00 0.00 SBOX ATOM 1273 O3' ADE A 46 42.023 58.730 36.663 1.00 0.00 SBOX O ATOM 1274 P CYT A 47 42.393 57.153 36.726 1.00 0.00 SBOX P ATOM 1275 O1P CYT A 47 41.829 56.547 37.910 1.00 0.00 SBOX ATOM 1276 O2P CYT A 47 42.001 56.575 35.439 1.00 0.00 SBOX ATOM 1277 O5' CYT A 47 44.028 57.180 36.722 1.00 0.00 SBOX O ATOM 1278 C5' CYT A 47 44.737 56.239 37.447 1.00 0.00 SBOX C ATOM 1279 H5' CYT A 47 44.667 55.319 36.867 1.00 0.00 SBOX ATOM 1280 H5'' CYT A 47 44.212 56.073 38.387 1.00 0.00 SBOX ATOM 1281 C4' CYT A 47 46.215 56.543 37.637 1.00 0.00 SBOX C ATOM 1282 H4' CYT A 47 46.673 55.594 37.915 1.00 0.00 SBOX ATOM 1283 O4' CYT A 47 46.896 57.087 36.468 1.00 0.00 SBOX O ATOM 1284 C1' CYT A 47 47.753 58.119 36.864 1.00 0.00 SBOX C ATOM 1285 H1' CYT A 47 48.762 57.858 36.545 1.00 0.00 SBOX ATOM 1286 N1 CYT A 47 47.368 59.438 36.157 1.00 0.00 SBOX N ATOM 1287 C6 CYT A 47 46.297 59.533 35.344 1.00 0.00 SBOX C ATOM 1288 H6 CYT A 47 45.691 58.673 35.102 1.00 0.00 SBOX ATOM 1289 C5 CYT A 47 45.949 60.789 34.867 1.00 0.00 SBOX C ATOM 1290 H5 CYT A 47 45.157 60.903 34.142 1.00 0.00 SBOX ATOM 1291 C4 CYT A 47 46.744 61.870 35.243 1.00 0.00 SBOX C ATOM 1292 N4 CYT A 47 46.517 63.048 34.708 1.00 0.00 SBOX N ATOM 1293 H41 CYT A 47 47.074 63.792 35.103 1.00 0.00 SBOX ATOM 1294 H42 CYT A 47 45.554 63.227 34.460 1.00 0.00 SBOX ATOM 1295 N3 CYT A 47 47.892 61.839 35.874 1.00 0.00 SBOX N ATOM 1296 C2 CYT A 47 48.214 60.597 36.367 1.00 0.00 SBOX C ATOM 1297 O2 CYT A 47 49.243 60.620 37.027 1.00 0.00 SBOX O ATOM 1298 C3' CYT A 47 46.302 57.558 38.664 1.00 0.00 SBOX C ATOM 1299 H3' CYT A 47 45.598 58.385 38.567 1.00 0.00 SBOX ATOM 1300 C2' CYT A 47 47.688 58.180 38.427 1.00 0.00 SBOX C ATOM 1301 H2'' CYT A 47 47.694 59.188 38.840 1.00 0.00 SBOX ATOM 1302 O2' CYT A 47 48.789 57.440 38.952 1.00 0.00 SBOX O ATOM 1303 H2' CYT A 47 49.653 57.757 38.678 1.00 0.00 SBOX ATOM 1304 O3' CYT A 47 46.156 56.784 39.892 1.00 0.00 SBOX O ATOM 1305 P CYT A 48 45.768 57.565 41.251 1.00 0.00 SBOX P ATOM 1306 O1P CYT A 48 44.391 58.150 41.044 1.00 0.00 SBOX ATOM 1307 O2P CYT A 48 45.956 56.608 42.330 1.00 0.00 SBOX ATOM 1308 O5' CYT A 48 46.762 58.782 41.458 1.00 0.00 SBOX O ATOM 1309 C5' CYT A 48 48.011 58.664 42.081 1.00 0.00 SBOX C ATOM 1310 H5' CYT A 48 48.628 57.930 41.562 1.00 0.00 SBOX ATOM 1311 H5'' CYT A 48 47.859 58.317 43.103 1.00 0.00 SBOX ATOM 1312 C4' CYT A 48 48.916 59.928 42.078 1.00 0.00 SBOX C ATOM 1313 H4' CYT A 48 49.861 59.875 42.620 1.00 0.00 SBOX ATOM 1314 O4' CYT A 48 49.171 60.423 40.735 1.00 0.00 SBOX O ATOM 1315 C1' CYT A 48 49.249 61.847 40.851 1.00 0.00 SBOX C ATOM 1316 H1' CYT A 48 50.266 62.124 40.574 1.00 0.00 SBOX ATOM 1317 N1 CYT A 48 48.207 62.497 39.935 1.00 0.00 SBOX N ATOM 1318 C6 CYT A 48 47.019 61.916 39.551 1.00 0.00 SBOX C ATOM 1319 H6 CYT A 48 46.897 60.847 39.641 1.00 0.00 SBOX ATOM 1320 C5 CYT A 48 46.138 62.634 38.783 1.00 0.00 SBOX C ATOM 1321 H5 CYT A 48 45.331 62.076 38.332 1.00 0.00 SBOX ATOM 1322 C4 CYT A 48 46.471 63.969 38.445 1.00 0.00 SBOX C ATOM 1323 N4 CYT A 48 45.510 64.664 37.920 1.00 0.00 SBOX N ATOM 1324 H41 CYT A 48 45.700 65.600 37.591 1.00 0.00 SBOX ATOM 1325 H42 CYT A 48 44.609 64.211 37.859 1.00 0.00 SBOX ATOM 1326 N3 CYT A 48 47.537 64.546 38.898 1.00 0.00 SBOX N ATOM 1327 C2 CYT A 48 48.451 63.854 39.640 1.00 0.00 SBOX C ATOM 1328 O2 CYT A 48 49.499 64.402 39.887 1.00 0.00 SBOX O ATOM 1329 C3' CYT A 48 48.192 61.020 42.836 1.00 0.00 SBOX C ATOM 1330 H3' CYT A 48 47.164 61.157 42.502 1.00 0.00 SBOX ATOM 1331 C2' CYT A 48 49.020 62.182 42.333 1.00 0.00 SBOX C ATOM 1332 H2'' CYT A 48 48.562 63.156 42.500 1.00 0.00 SBOX ATOM 1333 O2' CYT A 48 50.286 62.299 42.986 1.00 0.00 SBOX O ATOM 1334 H2' CYT A 48 50.625 63.196 42.939 1.00 0.00 SBOX ATOM 1335 O3' CYT A 48 48.315 60.741 44.233 1.00 0.00 SBOX O ATOM 1336 P ADE A 49 47.294 61.340 45.304 1.00 0.00 SBOX P ATOM 1337 O1P ADE A 49 45.927 61.199 44.779 1.00 0.00 SBOX ATOM 1338 O2P ADE A 49 47.539 60.789 46.642 1.00 0.00 SBOX ATOM 1339 O5' ADE A 49 47.641 62.840 45.309 1.00 0.00 SBOX O ATOM 1340 C5' ADE A 49 48.857 63.245 45.885 1.00 0.00 SBOX C ATOM 1341 H5' ADE A 49 49.650 62.587 45.530 1.00 0.00 SBOX ATOM 1342 H5'' ADE A 49 48.780 63.338 46.969 1.00 0.00 SBOX ATOM 1343 C4' ADE A 49 49.273 64.635 45.478 1.00 0.00 SBOX C ATOM 1344 H4' ADE A 49 50.263 64.832 45.890 1.00 0.00 SBOX ATOM 1345 O4' ADE A 49 49.201 64.901 44.072 1.00 0.00 SBOX O ATOM 1346 C1' ADE A 49 48.770 66.262 43.909 1.00 0.00 SBOX C ATOM 1347 H1' ADE A 49 49.499 66.857 43.360 1.00 0.00 SBOX ATOM 1348 N9 ADE A 49 47.526 66.106 43.116 1.00 0.00 SBOX N ATOM 1349 C8 ADE A 49 46.727 64.979 42.876 1.00 0.00 SBOX C ATOM 1350 H8 ADE A 49 47.014 64.061 43.367 1.00 0.00 SBOX ATOM 1351 N7 ADE A 49 45.871 65.120 41.965 1.00 0.00 SBOX N ATOM 1352 C5 ADE A 49 45.977 66.469 41.538 1.00 0.00 SBOX C ATOM 1353 C6 ADE A 49 45.397 67.308 40.567 1.00 0.00 SBOX C ATOM 1354 N6 ADE A 49 44.464 66.930 39.743 1.00 0.00 SBOX N ATOM 1355 H61 ADE A 49 44.331 67.519 38.933 1.00 0.00 SBOX ATOM 1356 H62 ADE A 49 44.447 65.921 39.767 1.00 0.00 SBOX ATOM 1357 N1 ADE A 49 45.882 68.494 40.297 1.00 0.00 SBOX N ATOM 1358 C2 ADE A 49 46.908 68.893 41.053 1.00 0.00 SBOX C ATOM 1359 H2 ADE A 49 47.266 69.873 40.773 1.00 0.00 SBOX ATOM 1360 N3 ADE A 49 47.546 68.301 41.993 1.00 0.00 SBOX N ATOM 1361 C4 ADE A 49 47.012 67.083 42.216 1.00 0.00 SBOX C ATOM 1362 C3' ADE A 49 48.304 65.726 46.056 1.00 0.00 SBOX C ATOM 1363 H3' ADE A 49 47.306 65.317 45.894 1.00 0.00 SBOX ATOM 1364 C2' ADE A 49 48.523 66.982 45.240 1.00 0.00 SBOX C ATOM 1365 H2'' ADE A 49 47.676 67.667 45.208 1.00 0.00 SBOX ATOM 1366 O2' ADE A 49 49.676 67.669 45.535 1.00 0.00 SBOX O ATOM 1367 H2' ADE A 49 49.511 68.020 46.413 1.00 0.00 SBOX ATOM 1368 O3' ADE A 49 48.389 65.899 47.516 1.00 0.00 SBOX O ATOM 1369 P GUA A 50 47.129 66.294 48.385 1.00 0.00 SBOX P ATOM 1370 O1P GUA A 50 46.264 65.075 48.359 1.00 0.00 SBOX ATOM 1371 O2P GUA A 50 47.639 66.771 49.687 1.00 0.00 SBOX ATOM 1372 O5' GUA A 50 46.328 67.549 47.731 1.00 0.00 SBOX O ATOM 1373 C5' GUA A 50 45.306 67.464 46.763 1.00 0.00 SBOX C ATOM 1374 H5' GUA A 50 44.520 66.904 47.269 1.00 0.00 SBOX ATOM 1375 H5'' GUA A 50 45.630 66.864 45.912 1.00 0.00 SBOX ATOM 1376 C4' GUA A 50 44.867 68.817 46.181 1.00 0.00 SBOX C ATOM 1377 H4' GUA A 50 45.520 69.598 46.570 1.00 0.00 SBOX ATOM 1378 O4' GUA A 50 44.916 68.744 44.771 1.00 0.00 SBOX O ATOM 1379 C1' GUA A 50 43.768 69.329 44.202 1.00 0.00 SBOX C ATOM 1380 H1' GUA A 50 44.024 70.135 43.514 1.00 0.00 SBOX ATOM 1381 N9 GUA A 50 42.974 68.398 43.409 1.00 0.00 SBOX N ATOM 1382 C8 GUA A 50 43.068 66.987 43.443 1.00 0.00 SBOX C ATOM 1383 H8 GUA A 50 43.678 66.531 44.209 1.00 0.00 SBOX ATOM 1384 N7 GUA A 50 42.340 66.408 42.508 1.00 0.00 SBOX N ATOM 1385 C5 GUA A 50 41.722 67.454 41.784 1.00 0.00 SBOX C ATOM 1386 C6 GUA A 50 40.954 67.588 40.576 1.00 0.00 SBOX C ATOM 1387 O6 GUA A 50 40.546 66.721 39.858 1.00 0.00 SBOX O ATOM 1388 N1 GUA A 50 40.619 68.827 40.171 1.00 0.00 SBOX N ATOM 1389 H1 GUA A 50 40.114 68.897 39.300 1.00 0.00 SBOX ATOM 1390 C2 GUA A 50 41.262 69.879 40.656 1.00 0.00 SBOX C ATOM 1391 N2 GUA A 50 41.005 71.009 40.077 1.00 0.00 SBOX N ATOM 1392 H21 GUA A 50 40.333 71.173 39.340 1.00 0.00 SBOX ATOM 1393 H22 GUA A 50 41.628 71.768 40.310 1.00 0.00 SBOX ATOM 1394 N3 GUA A 50 41.937 69.944 41.773 1.00 0.00 SBOX N ATOM 1395 C4 GUA A 50 42.164 68.709 42.280 1.00 0.00 SBOX C ATOM 1396 C3' GUA A 50 43.461 69.092 46.549 1.00 0.00 SBOX C ATOM 1397 H3' GUA A 50 42.832 68.202 46.520 1.00 0.00 SBOX ATOM 1398 C2' GUA A 50 43.006 70.003 45.394 1.00 0.00 SBOX C ATOM 1399 H2'' GUA A 50 41.928 70.103 45.273 1.00 0.00 SBOX ATOM 1400 O2' GUA A 50 43.549 71.331 45.485 1.00 0.00 SBOX O ATOM 1401 H2' GUA A 50 42.857 71.974 45.313 1.00 0.00 SBOX ATOM 1402 O3' GUA A 50 43.349 69.686 47.765 1.00 0.00 SBOX O ATOM 1403 P ADE A 51 42.464 68.955 48.901 1.00 0.00 SBOX P ATOM 1404 O1P ADE A 51 42.911 67.561 49.021 1.00 0.00 SBOX ATOM 1405 O2P ADE A 51 42.484 69.762 50.125 1.00 0.00 SBOX ATOM 1406 O5' ADE A 51 40.969 69.049 48.338 1.00 0.00 SBOX O ATOM 1407 C5' ADE A 51 39.953 68.191 48.751 1.00 0.00 SBOX C ATOM 1408 H5' ADE A 51 39.904 68.183 49.840 1.00 0.00 SBOX ATOM 1409 H5'' ADE A 51 40.232 67.159 48.536 1.00 0.00 SBOX ATOM 1410 C4' ADE A 51 38.586 68.628 48.277 1.00 0.00 SBOX C ATOM 1411 H4' ADE A 51 37.907 67.775 48.279 1.00 0.00 SBOX ATOM 1412 O4' ADE A 51 37.964 69.583 49.137 1.00 0.00 SBOX O ATOM 1413 C1' ADE A 51 37.802 70.778 48.382 1.00 0.00 SBOX C ATOM 1414 H1' ADE A 51 36.876 71.287 48.649 1.00 0.00 SBOX ATOM 1415 N9 ADE A 51 38.855 71.888 48.561 1.00 0.00 SBOX N ATOM 1416 C8 ADE A 51 40.116 71.878 49.170 1.00 0.00 SBOX C ATOM 1417 H8 ADE A 51 40.445 71.017 49.733 1.00 0.00 SBOX ATOM 1418 N7 ADE A 51 40.784 72.925 49.003 1.00 0.00 SBOX N ATOM 1419 C5 ADE A 51 39.867 73.803 48.308 1.00 0.00 SBOX C ATOM 1420 C6 ADE A 51 39.823 75.162 47.910 1.00 0.00 SBOX C ATOM 1421 N6 ADE A 51 40.727 76.041 48.232 1.00 0.00 SBOX N ATOM 1422 H61 ADE A 51 40.485 76.995 48.004 1.00 0.00 SBOX ATOM 1423 H62 ADE A 51 41.510 75.786 48.817 1.00 0.00 SBOX ATOM 1424 N1 ADE A 51 38.777 75.681 47.327 1.00 0.00 SBOX N ATOM 1425 C2 ADE A 51 37.788 74.875 47.053 1.00 0.00 SBOX C ATOM 1426 H2 ADE A 51 36.977 75.296 46.479 1.00 0.00 SBOX ATOM 1427 N3 ADE A 51 37.630 73.714 47.471 1.00 0.00 SBOX N ATOM 1428 C4 ADE A 51 38.698 73.182 48.035 1.00 0.00 SBOX C ATOM 1429 C3' ADE A 51 38.623 69.071 46.810 1.00 0.00 SBOX C ATOM 1430 H3' ADE A 51 39.613 69.457 46.571 1.00 0.00 SBOX ATOM 1431 C2' ADE A 51 37.794 70.355 46.925 1.00 0.00 SBOX C ATOM 1432 H2'' ADE A 51 38.370 71.013 46.275 1.00 0.00 SBOX ATOM 1433 O2' ADE A 51 36.425 70.121 46.486 1.00 0.00 SBOX O ATOM 1434 H2' ADE A 51 36.450 69.424 45.826 1.00 0.00 SBOX ATOM 1435 O3' ADE A 51 38.077 68.050 45.987 1.00 0.00 SBOX O ATOM 1436 P ADE A 52 38.549 67.980 44.418 1.00 0.00 SBOX P ATOM 1437 O1P ADE A 52 39.884 68.540 44.298 1.00 0.00 SBOX ATOM 1438 O2P ADE A 52 38.183 66.715 43.858 1.00 0.00 SBOX ATOM 1439 O5' ADE A 52 37.464 68.987 43.791 1.00 0.00 SBOX O ATOM 1440 C5' ADE A 52 37.695 69.590 42.554 1.00 0.00 SBOX C ATOM 1441 H5' ADE A 52 37.215 69.020 41.759 1.00 0.00 SBOX ATOM 1442 H5'' ADE A 52 38.770 69.617 42.377 1.00 0.00 SBOX ATOM 1443 C4' ADE A 52 37.095 71.045 42.438 1.00 0.00 SBOX C ATOM 1444 H4' ADE A 52 36.026 70.992 42.231 1.00 0.00 SBOX ATOM 1445 O4' ADE A 52 37.368 71.684 43.740 1.00 0.00 SBOX O ATOM 1446 C1' ADE A 52 37.809 73.032 43.587 1.00 0.00 SBOX C ATOM 1447 H1' ADE A 52 37.195 73.629 44.261 1.00 0.00 SBOX ATOM 1448 N9 ADE A 52 39.176 73.120 43.993 1.00 0.00 SBOX N ATOM 1449 C8 ADE A 52 40.023 72.156 44.376 1.00 0.00 SBOX C ATOM 1450 H8 ADE A 52 39.816 71.121 44.148 1.00 0.00 SBOX ATOM 1451 N7 ADE A 52 41.069 72.521 45.008 1.00 0.00 SBOX N ATOM 1452 C5 ADE A 52 40.960 73.892 44.972 1.00 0.00 SBOX C ATOM 1453 C6 ADE A 52 41.766 74.937 45.449 1.00 0.00 SBOX C ATOM 1454 N6 ADE A 52 42.888 74.895 46.015 1.00 0.00 SBOX N ATOM 1455 H61 ADE A 52 43.175 75.828 46.277 1.00 0.00 SBOX ATOM 1456 H62 ADE A 52 43.274 74.103 46.509 1.00 0.00 SBOX ATOM 1457 N1 ADE A 52 41.469 76.188 45.192 1.00 0.00 SBOX N ATOM 1458 C2 ADE A 52 40.346 76.461 44.555 1.00 0.00 SBOX C ATOM 1459 H2 ADE A 52 40.067 77.482 44.336 1.00 0.00 SBOX ATOM 1460 N3 ADE A 52 39.502 75.552 44.009 1.00 0.00 SBOX N ATOM 1461 C4 ADE A 52 39.856 74.275 44.274 1.00 0.00 SBOX C ATOM 1462 C3' ADE A 52 37.686 71.990 41.429 1.00 0.00 SBOX C ATOM 1463 H3' ADE A 52 38.732 71.704 41.322 1.00 0.00 SBOX ATOM 1464 C2' ADE A 52 37.535 73.363 42.084 1.00 0.00 SBOX C ATOM 1465 H2'' ADE A 52 38.201 74.094 41.626 1.00 0.00 SBOX ATOM 1466 O2' ADE A 52 36.188 73.936 42.077 1.00 0.00 SBOX O ATOM 1467 H2' ADE A 52 35.810 74.172 41.227 1.00 0.00 SBOX ATOM 1468 O3' ADE A 52 37.043 71.872 40.188 1.00 0.00 SBOX O ATOM 1469 P ADE A 53 37.728 72.336 38.808 1.00 0.00 SBOX P ATOM 1470 O1P ADE A 53 38.741 71.321 38.412 1.00 0.00 SBOX ATOM 1471 O2P ADE A 53 36.631 72.540 37.785 1.00 0.00 SBOX ATOM 1472 O5' ADE A 53 38.489 73.752 38.972 1.00 0.00 SBOX O ATOM 1473 C5' ADE A 53 37.841 74.985 38.816 1.00 0.00 SBOX C ATOM 1474 H5' ADE A 53 37.133 75.059 39.641 1.00 0.00 SBOX ATOM 1475 H5'' ADE A 53 37.270 75.018 37.888 1.00 0.00 SBOX ATOM 1476 C4' ADE A 53 38.813 76.201 38.995 1.00 0.00 SBOX C ATOM 1477 H4' ADE A 53 38.378 77.105 38.568 1.00 0.00 SBOX ATOM 1478 O4' ADE A 53 39.148 76.360 40.384 1.00 0.00 SBOX O ATOM 1479 C1' ADE A 53 40.518 76.771 40.456 1.00 0.00 SBOX C ATOM 1480 H1' ADE A 53 40.604 77.661 41.080 1.00 0.00 SBOX ATOM 1481 N9 ADE A 53 41.366 75.636 40.955 1.00 0.00 SBOX N ATOM 1482 C8 ADE A 53 41.207 74.277 40.787 1.00 0.00 SBOX C ATOM 1483 H8 ADE A 53 40.407 73.907 40.163 1.00 0.00 SBOX ATOM 1484 N7 ADE A 53 42.156 73.598 41.292 1.00 0.00 SBOX N ATOM 1485 C5 ADE A 53 42.950 74.582 41.924 1.00 0.00 SBOX C ATOM 1486 C6 ADE A 53 44.172 74.536 42.561 1.00 0.00 SBOX C ATOM 1487 N6 ADE A 53 45.000 73.521 42.805 1.00 0.00 SBOX N ATOM 1488 H61 ADE A 53 45.913 73.786 43.145 1.00 0.00 SBOX ATOM 1489 H62 ADE A 53 44.753 72.555 42.640 1.00 0.00 SBOX ATOM 1490 N1 ADE A 53 44.680 75.642 43.066 1.00 0.00 SBOX N ATOM 1491 C2 ADE A 53 44.072 76.803 42.788 1.00 0.00 SBOX C ATOM 1492 H2 ADE A 53 44.537 77.581 43.374 1.00 0.00 SBOX ATOM 1493 N3 ADE A 53 42.988 76.962 42.125 1.00 0.00 SBOX N ATOM 1494 C4 ADE A 53 42.446 75.832 41.758 1.00 0.00 SBOX C ATOM 1495 C3' ADE A 53 40.114 76.039 38.236 1.00 0.00 SBOX C ATOM 1496 H3' ADE A 53 40.379 74.981 38.237 1.00 0.00 SBOX ATOM 1497 C2' ADE A 53 40.991 77.020 39.003 1.00 0.00 SBOX C ATOM 1498 H2'' ADE A 53 42.060 76.869 38.855 1.00 0.00 SBOX ATOM 1499 O2' ADE A 53 40.653 78.402 38.774 1.00 0.00 SBOX O ATOM 1500 H2' ADE A 53 39.933 78.425 38.139 1.00 0.00 SBOX ATOM 1501 O3' ADE A 53 40.100 76.577 36.937 1.00 0.00 SBOX O ATOM 1502 P URA A 54 40.803 75.870 35.708 1.00 0.00 SBOX P ATOM 1503 O1P URA A 54 40.089 74.600 35.438 1.00 0.00 SBOX ATOM 1504 O2P URA A 54 40.896 76.892 34.676 1.00 0.00 SBOX ATOM 1505 O5' URA A 54 42.299 75.548 36.263 1.00 0.00 SBOX O ATOM 1506 C5' URA A 54 43.269 76.554 36.316 1.00 0.00 SBOX C ATOM 1507 H5' URA A 54 42.822 77.488 36.657 1.00 0.00 SBOX ATOM 1508 H5'' URA A 54 43.606 76.709 35.291 1.00 0.00 SBOX ATOM 1509 C4' URA A 54 44.385 76.117 37.279 1.00 0.00 SBOX C ATOM 1510 H4' URA A 54 44.873 77.042 37.587 1.00 0.00 SBOX ATOM 1511 O4' URA A 54 43.855 75.407 38.309 1.00 0.00 SBOX O ATOM 1512 C1' URA A 54 44.677 74.324 38.633 1.00 0.00 SBOX C ATOM 1513 H1' URA A 54 45.081 74.449 39.638 1.00 0.00 SBOX ATOM 1514 N1 URA A 54 43.984 73.034 38.632 1.00 0.00 SBOX N ATOM 1515 C6 URA A 54 43.278 72.634 37.485 1.00 0.00 SBOX C ATOM 1516 H6 URA A 54 42.968 73.386 36.775 1.00 0.00 SBOX ATOM 1517 C5 URA A 54 43.123 71.320 37.132 1.00 0.00 SBOX C ATOM 1518 H5 URA A 54 42.550 71.107 36.241 1.00 0.00 SBOX ATOM 1519 C4 URA A 54 43.519 70.307 38.011 1.00 0.00 SBOX C ATOM 1520 O4 URA A 54 43.231 69.141 37.984 1.00 0.00 SBOX O ATOM 1521 N3 URA A 54 44.329 70.722 39.042 1.00 0.00 SBOX N ATOM 1522 H3 URA A 54 44.851 70.053 39.590 1.00 0.00 SBOX ATOM 1523 C2 URA A 54 44.659 71.999 39.335 1.00 0.00 SBOX C ATOM 1524 O2 URA A 54 45.518 72.104 40.162 1.00 0.00 SBOX O ATOM 1525 C3' URA A 54 45.383 75.277 36.460 1.00 0.00 SBOX C ATOM 1526 H3' URA A 54 44.751 74.680 35.803 1.00 0.00 SBOX ATOM 1527 C2' URA A 54 45.833 74.403 37.637 1.00 0.00 SBOX C ATOM 1528 H2'' URA A 54 46.187 73.419 37.328 1.00 0.00 SBOX ATOM 1529 O2' URA A 54 46.845 75.100 38.449 1.00 0.00 SBOX O ATOM 1530 H2' URA A 54 47.730 74.914 38.127 1.00 0.00 SBOX ATOM 1531 O3' URA A 54 46.361 76.024 35.745 1.00 0.00 SBOX O ATOM 1532 P GUA A 55 47.233 75.288 34.653 1.00 0.00 SBOX P ATOM 1533 O1P GUA A 55 46.402 74.199 34.047 1.00 0.00 SBOX ATOM 1534 O2P GUA A 55 47.933 76.273 33.794 1.00 0.00 SBOX ATOM 1535 O5' GUA A 55 48.344 74.530 35.580 1.00 0.00 SBOX O ATOM 1536 C5' GUA A 55 49.465 75.222 36.124 1.00 0.00 SBOX C ATOM 1537 H5' GUA A 55 49.215 76.155 36.627 1.00 0.00 SBOX ATOM 1538 H5'' GUA A 55 50.220 75.357 35.349 1.00 0.00 SBOX ATOM 1539 C4' GUA A 55 50.104 74.312 37.206 1.00 0.00 SBOX C ATOM 1540 H4' GUA A 55 50.699 75.003 37.804 1.00 0.00 SBOX ATOM 1541 O4' GUA A 55 49.082 73.707 38.070 1.00 0.00 SBOX O ATOM 1542 C1' GUA A 55 49.373 72.295 38.334 1.00 0.00 SBOX C ATOM 1543 H1' GUA A 55 49.428 72.121 39.409 1.00 0.00 SBOX ATOM 1544 N9 GUA A 55 48.370 71.302 37.773 1.00 0.00 SBOX N ATOM 1545 C8 GUA A 55 47.423 71.408 36.803 1.00 0.00 SBOX C ATOM 1546 H8 GUA A 55 47.231 72.267 36.177 1.00 0.00 SBOX ATOM 1547 N7 GUA A 55 46.872 70.294 36.462 1.00 0.00 SBOX N ATOM 1548 C5 GUA A 55 47.484 69.365 37.314 1.00 0.00 SBOX C ATOM 1549 C6 GUA A 55 47.250 67.968 37.575 1.00 0.00 SBOX C ATOM 1550 O6 GUA A 55 46.287 67.357 37.180 1.00 0.00 SBOX O ATOM 1551 N1 GUA A 55 48.129 67.372 38.390 1.00 0.00 SBOX N ATOM 1552 H1 GUA A 55 48.163 66.369 38.507 1.00 0.00 SBOX ATOM 1553 C2 GUA A 55 49.195 68.103 38.786 1.00 0.00 SBOX C ATOM 1554 N2 GUA A 55 50.068 67.376 39.457 1.00 0.00 SBOX N ATOM 1555 H21 GUA A 55 49.874 66.390 39.554 1.00 0.00 SBOX ATOM 1556 H22 GUA A 55 50.652 67.758 40.187 1.00 0.00 SBOX ATOM 1557 N3 GUA A 55 49.361 69.417 38.855 1.00 0.00 SBOX N ATOM 1558 C4 GUA A 55 48.428 69.988 38.075 1.00 0.00 SBOX C ATOM 1559 C3' GUA A 55 50.938 73.171 36.571 1.00 0.00 SBOX C ATOM 1560 H3' GUA A 55 50.491 72.753 35.669 1.00 0.00 SBOX ATOM 1561 C2' GUA A 55 50.752 72.180 37.765 1.00 0.00 SBOX C ATOM 1562 H2'' GUA A 55 50.782 71.171 37.353 1.00 0.00 SBOX ATOM 1563 O2' GUA A 55 51.682 72.384 38.825 1.00 0.00 SBOX O ATOM 1564 H2' GUA A 55 51.700 71.678 39.476 1.00 0.00 SBOX ATOM 1565 O3' GUA A 55 52.292 73.570 36.329 1.00 0.00 SBOX O ATOM 1566 P GUA A 56 53.228 72.661 35.490 1.00 0.00 SBOX P ATOM 1567 O1P GUA A 56 52.616 72.524 34.168 1.00 0.00 SBOX ATOM 1568 O2P GUA A 56 54.522 73.294 35.427 1.00 0.00 SBOX ATOM 1569 O5' GUA A 56 53.351 71.246 36.111 1.00 0.00 SBOX O ATOM 1570 C5' GUA A 56 54.180 71.017 37.234 1.00 0.00 SBOX C ATOM 1571 H5' GUA A 56 53.864 71.533 38.140 1.00 0.00 SBOX ATOM 1572 H5'' GUA A 56 55.179 71.411 37.049 1.00 0.00 SBOX ATOM 1573 C4' GUA A 56 54.525 69.504 37.543 1.00 0.00 SBOX C ATOM 1574 H4' GUA A 56 55.368 69.460 38.232 1.00 0.00 SBOX ATOM 1575 O4' GUA A 56 53.358 68.841 38.107 1.00 0.00 SBOX O ATOM 1576 C1' GUA A 56 53.359 67.500 37.677 1.00 0.00 SBOX C ATOM 1577 H1' GUA A 56 53.397 66.880 38.572 1.00 0.00 SBOX ATOM 1578 N9 GUA A 56 52.161 67.222 36.793 1.00 0.00 SBOX N ATOM 1579 C8 GUA A 56 51.436 68.091 36.036 1.00 0.00 SBOX C ATOM 1580 H8 GUA A 56 51.689 69.132 35.900 1.00 0.00 SBOX ATOM 1581 N7 GUA A 56 50.329 67.622 35.483 1.00 0.00 SBOX N ATOM 1582 C5 GUA A 56 50.358 66.261 35.917 1.00 0.00 SBOX C ATOM 1583 C6 GUA A 56 49.330 65.244 35.919 1.00 0.00 SBOX C ATOM 1584 O6 GUA A 56 48.216 65.244 35.410 1.00 0.00 SBOX O ATOM 1585 N1 GUA A 56 49.651 64.060 36.577 1.00 0.00 SBOX N ATOM 1586 H1 GUA A 56 48.949 63.334 36.594 1.00 0.00 SBOX ATOM 1587 C2 GUA A 56 50.798 63.962 37.254 1.00 0.00 SBOX C ATOM 1588 N2 GUA A 56 51.124 62.732 37.562 1.00 0.00 SBOX N ATOM 1589 H21 GUA A 56 50.554 61.993 37.177 1.00 0.00 SBOX ATOM 1590 H22 GUA A 56 51.969 62.548 38.084 1.00 0.00 SBOX ATOM 1591 N3 GUA A 56 51.766 64.869 37.340 1.00 0.00 SBOX N ATOM 1592 C4 GUA A 56 51.489 66.060 36.659 1.00 0.00 SBOX C ATOM 1593 C3' GUA A 56 54.891 68.696 36.293 1.00 0.00 SBOX C ATOM 1594 H3' GUA A 56 54.142 68.982 35.554 1.00 0.00 SBOX ATOM 1595 C2' GUA A 56 54.634 67.271 36.859 1.00 0.00 SBOX C ATOM 1596 H2'' GUA A 56 54.425 66.578 36.044 1.00 0.00 SBOX ATOM 1597 O2' GUA A 56 55.674 66.927 37.759 1.00 0.00 SBOX O ATOM 1598 H2' GUA A 56 55.725 65.968 37.741 1.00 0.00 SBOX ATOM 1599 O3' GUA A 56 56.186 68.945 35.872 1.00 0.00 SBOX O ATOM 1600 P URA A 57 56.548 68.499 34.437 1.00 0.00 SBOX P ATOM 1601 O1P URA A 57 55.727 69.316 33.522 1.00 0.00 SBOX ATOM 1602 O2P URA A 57 57.992 68.700 34.398 1.00 0.00 SBOX ATOM 1603 O5' URA A 57 56.140 66.939 34.320 1.00 0.00 SBOX O ATOM 1604 C5' URA A 57 55.938 66.235 33.170 1.00 0.00 SBOX C ATOM 1605 H5' URA A 57 56.877 66.145 32.623 1.00 0.00 SBOX ATOM 1606 H5'' URA A 57 55.125 66.608 32.547 1.00 0.00 SBOX ATOM 1607 C4' URA A 57 55.456 64.829 33.664 1.00 0.00 SBOX C ATOM 1608 H4' URA A 57 56.147 64.387 34.382 1.00 0.00 SBOX ATOM 1609 O4' URA A 57 54.221 64.925 34.363 1.00 0.00 SBOX O ATOM 1610 C1' URA A 57 53.550 63.696 34.244 1.00 0.00 SBOX C ATOM 1611 H1' URA A 57 53.329 63.208 35.193 1.00 0.00 SBOX ATOM 1612 N1 URA A 57 52.223 63.828 33.536 1.00 0.00 SBOX N ATOM 1613 C6 URA A 57 51.885 64.968 32.856 1.00 0.00 SBOX C ATOM 1614 H6 URA A 57 52.659 65.695 32.658 1.00 0.00 SBOX ATOM 1615 C5 URA A 57 50.694 65.031 32.244 1.00 0.00 SBOX C ATOM 1616 H5 URA A 57 50.450 65.816 31.544 1.00 0.00 SBOX ATOM 1617 C4 URA A 57 49.762 63.879 32.337 1.00 0.00 SBOX C ATOM 1618 O4 URA A 57 48.682 63.768 31.755 1.00 0.00 SBOX O ATOM 1619 N3 URA A 57 50.105 62.888 33.161 1.00 0.00 SBOX N ATOM 1620 H3 URA A 57 49.389 62.185 33.280 1.00 0.00 SBOX ATOM 1621 C2 URA A 57 51.369 62.736 33.606 1.00 0.00 SBOX C ATOM 1622 O2 URA A 57 51.556 61.627 34.152 1.00 0.00 SBOX O ATOM 1623 C3' URA A 57 55.234 63.740 32.629 1.00 0.00 SBOX C ATOM 1624 H3' URA A 57 54.698 64.100 31.750 1.00 0.00 SBOX ATOM 1625 C2' URA A 57 54.433 62.702 33.404 1.00 0.00 SBOX C ATOM 1626 H2'' URA A 57 53.845 62.008 32.802 1.00 0.00 SBOX ATOM 1627 O2' URA A 57 55.304 61.979 34.313 1.00 0.00 SBOX O ATOM 1628 H2' URA A 57 55.739 61.236 33.887 1.00 0.00 SBOX ATOM 1629 O3' URA A 57 56.495 63.288 32.119 1.00 0.00 SBOX O ATOM 1630 P GUA A 58 56.716 62.990 30.516 1.00 0.00 SBOX P ATOM 1631 O1P GUA A 58 56.622 64.285 29.859 1.00 0.00 SBOX ATOM 1632 O2P GUA A 58 57.939 62.188 30.424 1.00 0.00 SBOX ATOM 1633 O5' GUA A 58 55.455 62.164 30.023 1.00 0.00 SBOX O ATOM 1634 C5' GUA A 58 55.266 60.866 30.514 1.00 0.00 SBOX C ATOM 1635 H5' GUA A 58 55.368 60.895 31.599 1.00 0.00 SBOX ATOM 1636 H5'' GUA A 58 56.013 60.213 30.063 1.00 0.00 SBOX ATOM 1637 C4' GUA A 58 53.912 60.346 30.100 1.00 0.00 SBOX C ATOM 1638 H4' GUA A 58 53.863 59.365 30.573 1.00 0.00 SBOX ATOM 1639 O4' GUA A 58 52.765 61.203 30.525 1.00 0.00 SBOX O ATOM 1640 C1' GUA A 58 51.709 61.036 29.627 1.00 0.00 SBOX C ATOM 1641 H1' GUA A 58 50.844 60.675 30.184 1.00 0.00 SBOX ATOM 1642 N9 GUA A 58 51.373 62.369 29.043 1.00 0.00 SBOX N ATOM 1643 C8 GUA A 58 52.032 63.569 29.258 1.00 0.00 SBOX C ATOM 1644 H8 GUA A 58 53.077 63.611 29.528 1.00 0.00 SBOX ATOM 1645 N7 GUA A 58 51.313 64.567 28.828 1.00 0.00 SBOX N ATOM 1646 C5 GUA A 58 50.067 64.050 28.471 1.00 0.00 SBOX C ATOM 1647 C6 GUA A 58 48.773 64.708 28.042 1.00 0.00 SBOX C ATOM 1648 O6 GUA A 58 48.553 65.912 28.083 1.00 0.00 SBOX O ATOM 1649 N1 GUA A 58 47.819 63.728 27.857 1.00 0.00 SBOX N ATOM 1650 H1 GUA A 58 46.985 64.003 27.357 1.00 0.00 SBOX ATOM 1651 C2 GUA A 58 47.958 62.406 28.025 1.00 0.00 SBOX C ATOM 1652 N2 GUA A 58 46.956 61.712 27.620 1.00 0.00 SBOX N ATOM 1653 H21 GUA A 58 46.075 62.104 27.319 1.00 0.00 SBOX ATOM 1654 H22 GUA A 58 47.067 60.725 27.437 1.00 0.00 SBOX ATOM 1655 N3 GUA A 58 49.086 61.812 28.357 1.00 0.00 SBOX N ATOM 1656 C4 GUA A 58 50.127 62.678 28.543 1.00 0.00 SBOX C ATOM 1657 C3' GUA A 58 53.750 60.281 28.572 1.00 0.00 SBOX C ATOM 1658 H3' GUA A 58 54.083 61.192 28.075 1.00 0.00 SBOX ATOM 1659 C2' GUA A 58 52.283 60.099 28.547 1.00 0.00 SBOX C ATOM 1660 H2'' GUA A 58 51.999 60.429 27.548 1.00 0.00 SBOX ATOM 1661 O2' GUA A 58 51.891 58.739 28.781 1.00 0.00 SBOX O ATOM 1662 H2' GUA A 58 52.384 58.263 28.108 1.00 0.00 SBOX ATOM 1663 O3' GUA A 58 54.510 59.233 28.040 1.00 0.00 SBOX O ATOM 1664 P CYT A 59 55.151 59.296 26.632 1.00 0.00 SBOX P ATOM 1665 O1P CYT A 59 55.847 60.568 26.510 1.00 0.00 SBOX ATOM 1666 O2P CYT A 59 55.756 58.030 26.175 1.00 0.00 SBOX ATOM 1667 O5' CYT A 59 53.803 59.340 25.788 1.00 0.00 SBOX O ATOM 1668 C5' CYT A 59 53.078 58.258 25.430 1.00 0.00 SBOX C ATOM 1669 H5' CYT A 59 53.093 57.490 26.204 1.00 0.00 SBOX ATOM 1670 H5'' CYT A 59 53.560 57.717 24.615 1.00 0.00 SBOX ATOM 1671 C4' CYT A 59 51.635 58.392 25.042 1.00 0.00 SBOX C ATOM 1672 H4' CYT A 59 51.197 57.399 24.937 1.00 0.00 SBOX ATOM 1673 O4' CYT A 59 50.818 59.219 25.875 1.00 0.00 SBOX O ATOM 1674 C1' CYT A 59 49.925 60.140 25.086 1.00 0.00 SBOX C ATOM 1675 H1' CYT A 59 48.862 60.075 25.320 1.00 0.00 SBOX ATOM 1676 N1 CYT A 59 50.371 61.553 25.042 1.00 0.00 SBOX N ATOM 1677 C6 CYT A 59 51.653 61.892 25.196 1.00 0.00 SBOX C ATOM 1678 H6 CYT A 59 52.441 61.161 25.301 1.00 0.00 SBOX ATOM 1679 C5 CYT A 59 52.003 63.201 25.373 1.00 0.00 SBOX C ATOM 1680 H5 CYT A 59 53.003 63.491 25.660 1.00 0.00 SBOX ATOM 1681 C4 CYT A 59 50.987 64.196 25.323 1.00 0.00 SBOX C ATOM 1682 N4 CYT A 59 51.317 65.403 25.321 1.00 0.00 SBOX N ATOM 1683 H41 CYT A 59 50.647 65.990 24.844 1.00 0.00 SBOX ATOM 1684 H42 CYT A 59 52.275 65.656 25.124 1.00 0.00 SBOX ATOM 1685 N3 CYT A 59 49.734 63.914 25.048 1.00 0.00 SBOX N ATOM 1686 C2 CYT A 59 49.414 62.607 24.951 1.00 0.00 SBOX C ATOM 1687 O2 CYT A 59 48.212 62.428 24.794 1.00 0.00 SBOX O ATOM 1688 C3' CYT A 59 51.593 58.970 23.661 1.00 0.00 SBOX C ATOM 1689 H3' CYT A 59 52.159 59.901 23.668 1.00 0.00 SBOX ATOM 1690 C2' CYT A 59 50.124 59.440 23.719 1.00 0.00 SBOX C ATOM 1691 H2'' CYT A 59 49.921 60.143 22.911 1.00 0.00 SBOX ATOM 1692 O2' CYT A 59 49.062 58.432 23.620 1.00 0.00 SBOX O ATOM 1693 H2' CYT A 59 48.549 58.631 22.833 1.00 0.00 SBOX ATOM 1694 O3' CYT A 59 51.875 58.013 22.692 1.00 0.00 SBOX O ATOM 1695 P CYT A 60 52.330 58.434 21.239 1.00 0.00 SBOX P ATOM 1696 O1P CYT A 60 53.527 59.279 21.420 1.00 0.00 SBOX ATOM 1697 O2P CYT A 60 52.441 57.233 20.365 1.00 0.00 SBOX ATOM 1698 O5' CYT A 60 51.189 59.327 20.716 1.00 0.00 SBOX O ATOM 1699 C5' CYT A 60 49.899 58.754 20.239 1.00 0.00 SBOX C ATOM 1700 H5' CYT A 60 49.464 58.143 21.029 1.00 0.00 SBOX ATOM 1701 H5'' CYT A 60 50.190 58.235 19.326 1.00 0.00 SBOX ATOM 1702 C4' CYT A 60 48.870 59.804 19.851 1.00 0.00 SBOX C ATOM 1703 H4' CYT A 60 48.005 59.270 19.458 1.00 0.00 SBOX ATOM 1704 O4' CYT A 60 48.428 60.646 20.854 1.00 0.00 SBOX O ATOM 1705 C1' CYT A 60 48.301 61.969 20.363 1.00 0.00 SBOX C ATOM 1706 H1' CYT A 60 47.313 62.263 20.718 1.00 0.00 SBOX ATOM 1707 N1 CYT A 60 49.247 63.008 20.871 1.00 0.00 SBOX N ATOM 1708 C6 CYT A 60 50.507 62.676 21.277 1.00 0.00 SBOX C ATOM 1709 H6 CYT A 60 50.869 61.662 21.190 1.00 0.00 SBOX ATOM 1710 C5 CYT A 60 51.259 63.655 21.873 1.00 0.00 SBOX C ATOM 1711 H5 CYT A 60 52.237 63.525 22.312 1.00 0.00 SBOX ATOM 1712 C4 CYT A 60 50.712 64.933 21.965 1.00 0.00 SBOX C ATOM 1713 N4 CYT A 60 51.401 65.915 22.469 1.00 0.00 SBOX N ATOM 1714 H41 CYT A 60 51.261 66.915 22.445 1.00 0.00 SBOX ATOM 1715 H42 CYT A 60 52.255 65.651 22.939 1.00 0.00 SBOX ATOM 1716 N3 CYT A 60 49.549 65.303 21.510 1.00 0.00 SBOX N ATOM 1717 C2 CYT A 60 48.809 64.358 20.901 1.00 0.00 SBOX C ATOM 1718 O2 CYT A 60 47.710 64.708 20.385 1.00 0.00 SBOX O ATOM 1719 C3' CYT A 60 49.380 60.684 18.731 1.00 0.00 SBOX C ATOM 1720 H3' CYT A 60 50.443 60.892 18.856 1.00 0.00 SBOX ATOM 1721 C2' CYT A 60 48.413 61.865 18.856 1.00 0.00 SBOX C ATOM 1722 H2'' CYT A 60 48.844 62.728 18.350 1.00 0.00 SBOX ATOM 1723 O2' CYT A 60 47.153 61.585 18.350 1.00 0.00 SBOX O ATOM 1724 H2' CYT A 60 47.227 61.735 17.405 1.00 0.00 SBOX ATOM 1725 O3' CYT A 60 49.067 59.876 17.583 1.00 0.00 SBOX O ATOM 1726 P ADE A 61 49.800 60.159 16.182 1.00 0.00 SBOX P ATOM 1727 O1P ADE A 61 49.307 61.495 15.714 1.00 0.00 SBOX ATOM 1728 O2P ADE A 61 51.244 59.934 16.296 1.00 0.00 SBOX ATOM 1729 O5' ADE A 61 49.048 59.061 15.324 1.00 0.00 SBOX O ATOM 1730 C5' ADE A 61 49.266 57.683 15.626 1.00 0.00 SBOX C ATOM 1731 H5' ADE A 61 48.925 57.623 16.660 1.00 0.00 SBOX ATOM 1732 H5'' ADE A 61 50.328 57.468 15.507 1.00 0.00 SBOX ATOM 1733 C4' ADE A 61 48.371 56.958 14.597 1.00 0.00 SBOX C ATOM 1734 H4' ADE A 61 47.420 57.460 14.421 1.00 0.00 SBOX ATOM 1735 O4' ADE A 61 49.144 57.001 13.412 1.00 0.00 SBOX O ATOM 1736 C1' ADE A 61 48.931 55.891 12.614 1.00 0.00 SBOX C ATOM 1737 H1' ADE A 61 48.693 56.299 11.632 1.00 0.00 SBOX ATOM 1738 N9 ADE A 61 50.251 55.250 12.521 1.00 0.00 SBOX N ATOM 1739 C8 ADE A 61 51.383 55.476 13.214 1.00 0.00 SBOX C ATOM 1740 H8 ADE A 61 51.404 56.198 14.016 1.00 0.00 SBOX ATOM 1741 N7 ADE A 61 52.403 54.805 12.761 1.00 0.00 SBOX N ATOM 1742 C5 ADE A 61 51.853 53.966 11.795 1.00 0.00 SBOX C ATOM 1743 C6 ADE A 61 52.263 53.146 10.732 1.00 0.00 SBOX C ATOM 1744 N6 ADE A 61 53.466 52.853 10.459 1.00 0.00 SBOX N ATOM 1745 H61 ADE A 61 53.612 52.197 9.705 1.00 0.00 SBOX ATOM 1746 H62 ADE A 61 54.174 52.978 11.169 1.00 0.00 SBOX ATOM 1747 N1 ADE A 61 51.432 52.449 9.929 1.00 0.00 SBOX N ATOM 1748 C2 ADE A 61 50.120 52.786 9.989 1.00 0.00 SBOX C ATOM 1749 H2 ADE A 61 49.420 52.309 9.319 1.00 0.00 SBOX ATOM 1750 N3 ADE A 61 49.590 53.629 10.767 1.00 0.00 SBOX N ATOM 1751 C4 ADE A 61 50.512 54.201 11.666 1.00 0.00 SBOX C ATOM 1752 C3' ADE A 61 48.141 55.467 14.816 1.00 0.00 SBOX C ATOM 1753 H3' ADE A 61 49.035 54.969 15.191 1.00 0.00 SBOX ATOM 1754 C2' ADE A 61 47.897 55.020 13.350 1.00 0.00 SBOX C ATOM 1755 H2'' ADE A 61 48.170 53.979 13.173 1.00 0.00 SBOX ATOM 1756 O2' ADE A 61 46.690 55.289 12.699 1.00 0.00 SBOX O ATOM 1757 H2' ADE A 61 46.531 56.232 12.778 1.00 0.00 SBOX ATOM 1758 O3' ADE A 61 46.993 55.231 15.610 1.00 0.00 SBOX O ATOM 1759 P ADE A 62 46.854 54.014 16.479 1.00 0.00 SBOX P ATOM 1760 O1P ADE A 62 48.041 53.960 17.361 1.00 0.00 SBOX ATOM 1761 O2P ADE A 62 45.519 54.045 17.090 1.00 0.00 SBOX ATOM 1762 O5' ADE A 62 46.845 52.842 15.513 1.00 0.00 SBOX O ATOM 1763 C5' ADE A 62 45.673 52.390 14.817 1.00 0.00 SBOX C ATOM 1764 H5' ADE A 62 45.331 53.144 14.107 1.00 0.00 SBOX ATOM 1765 H5'' ADE A 62 44.903 52.072 15.519 1.00 0.00 SBOX ATOM 1766 C4' ADE A 62 46.078 51.221 13.850 1.00 0.00 SBOX C ATOM 1767 H4' ADE A 62 45.251 50.854 13.242 1.00 0.00 SBOX ATOM 1768 O4' ADE A 62 47.108 51.551 13.017 1.00 0.00 SBOX O ATOM 1769 C1' ADE A 62 47.975 50.444 12.833 1.00 0.00 SBOX C ATOM 1770 H1' ADE A 62 47.871 50.007 11.840 1.00 0.00 SBOX ATOM 1771 N9 ADE A 62 49.353 50.878 13.177 1.00 0.00 SBOX N ATOM 1772 C8 ADE A 62 49.847 51.719 14.142 1.00 0.00 SBOX C ATOM 1773 H8 ADE A 62 49.228 52.249 14.851 1.00 0.00 SBOX ATOM 1774 N7 ADE A 62 51.169 51.726 14.294 1.00 0.00 SBOX N ATOM 1775 C5 ADE A 62 51.566 50.803 13.317 1.00 0.00 SBOX C ATOM 1776 C6 ADE A 62 52.803 50.460 12.831 1.00 0.00 SBOX C ATOM 1777 N6 ADE A 62 53.984 50.850 13.237 1.00 0.00 SBOX N ATOM 1778 H61 ADE A 62 54.782 50.330 12.901 1.00 0.00 SBOX ATOM 1779 H62 ADE A 62 53.978 51.435 14.061 1.00 0.00 SBOX ATOM 1780 N1 ADE A 62 52.894 49.588 11.858 1.00 0.00 SBOX N ATOM 1781 C2 ADE A 62 51.768 49.084 11.353 1.00 0.00 SBOX C ATOM 1782 H2 ADE A 62 51.815 48.295 10.617 1.00 0.00 SBOX ATOM 1783 N3 ADE A 62 50.506 49.441 11.601 1.00 0.00 SBOX N ATOM 1784 C4 ADE A 62 50.462 50.302 12.620 1.00 0.00 SBOX C ATOM 1785 C3' ADE A 62 46.464 50.003 14.648 1.00 0.00 SBOX C ATOM 1786 H3' ADE A 62 47.057 50.328 15.502 1.00 0.00 SBOX ATOM 1787 C2' ADE A 62 47.480 49.320 13.641 1.00 0.00 SBOX C ATOM 1788 H2'' ADE A 62 48.308 48.889 14.203 1.00 0.00 SBOX ATOM 1789 O2' ADE A 62 46.890 48.305 12.812 1.00 0.00 SBOX O ATOM 1790 H2' ADE A 62 46.738 47.546 13.380 1.00 0.00 SBOX ATOM 1791 O3' ADE A 62 45.330 49.204 14.980 1.00 0.00 SBOX O ATOM 1792 P URA A 63 45.381 47.884 15.875 1.00 0.00 SBOX P ATOM 1793 O1P URA A 63 44.027 47.394 16.168 1.00 0.00 SBOX ATOM 1794 O2P URA A 63 46.254 46.918 15.266 1.00 0.00 SBOX ATOM 1795 O5' URA A 63 46.077 48.342 17.300 1.00 0.00 SBOX O ATOM 1796 C5' URA A 63 45.204 49.026 18.222 1.00 0.00 SBOX C ATOM 1797 H5' URA A 63 44.229 49.138 17.748 1.00 0.00 SBOX ATOM 1798 H5'' URA A 63 45.517 50.070 18.207 1.00 0.00 SBOX ATOM 1799 C4' URA A 63 44.952 48.440 19.601 1.00 0.00 SBOX C ATOM 1800 H4' URA A 63 44.163 48.951 20.154 1.00 0.00 SBOX ATOM 1801 O4' URA A 63 44.547 47.063 19.447 1.00 0.00 SBOX O ATOM 1802 C1' URA A 63 45.454 46.179 20.048 1.00 0.00 SBOX C ATOM 1803 H1' URA A 63 45.002 45.918 21.004 1.00 0.00 SBOX ATOM 1804 N1 URA A 63 45.486 44.911 19.289 1.00 0.00 SBOX N ATOM 1805 C6 URA A 63 46.022 44.920 18.010 1.00 0.00 SBOX C ATOM 1806 H6 URA A 63 46.643 45.761 17.737 1.00 0.00 SBOX ATOM 1807 C5 URA A 63 45.795 43.861 17.177 1.00 0.00 SBOX C ATOM 1808 H5 URA A 63 46.241 43.913 16.195 1.00 0.00 SBOX ATOM 1809 C4 URA A 63 45.153 42.658 17.639 1.00 0.00 SBOX C ATOM 1810 O4 URA A 63 45.212 41.621 16.986 1.00 0.00 SBOX O ATOM 1811 N3 URA A 63 44.695 42.707 18.969 1.00 0.00 SBOX N ATOM 1812 H3 URA A 63 44.335 41.887 19.435 1.00 0.00 SBOX ATOM 1813 C2 URA A 63 44.872 43.769 19.846 1.00 0.00 SBOX C ATOM 1814 O2 URA A 63 44.423 43.680 20.977 1.00 0.00 SBOX O ATOM 1815 C3' URA A 63 46.164 48.374 20.566 1.00 0.00 SBOX C ATOM 1816 H3' URA A 63 47.012 49.039 20.402 1.00 0.00 SBOX ATOM 1817 C2' URA A 63 46.665 46.957 20.326 1.00 0.00 SBOX C ATOM 1818 H2'' URA A 63 47.231 46.800 19.408 1.00 0.00 SBOX ATOM 1819 O2' URA A 63 47.369 46.378 21.390 1.00 0.00 SBOX O ATOM 1820 H2' URA A 63 47.993 45.797 20.949 1.00 0.00 SBOX ATOM 1821 O3' URA A 63 45.642 48.585 21.873 1.00 0.00 SBOX O ATOM 1822 P URA A 64 46.262 49.733 22.697 1.00 0.00 SBOX P ATOM 1823 O1P URA A 64 46.152 50.957 21.839 1.00 0.00 SBOX ATOM 1824 O2P URA A 64 45.645 49.867 24.010 1.00 0.00 SBOX ATOM 1825 O5' URA A 64 47.827 49.406 22.975 1.00 0.00 SBOX O ATOM 1826 C5' URA A 64 48.812 50.157 22.453 1.00 0.00 SBOX C ATOM 1827 H5' URA A 64 48.959 51.084 23.009 1.00 0.00 SBOX ATOM 1828 H5'' URA A 64 48.673 50.317 21.384 1.00 0.00 SBOX ATOM 1829 C4' URA A 64 50.265 49.589 22.486 1.00 0.00 SBOX C ATOM 1830 H4' URA A 64 50.964 50.381 22.216 1.00 0.00 SBOX ATOM 1831 O4' URA A 64 50.565 49.147 23.861 1.00 0.00 SBOX O ATOM 1832 C1' URA A 64 51.605 48.222 23.852 1.00 0.00 SBOX C ATOM 1833 H1' URA A 64 52.513 48.696 24.226 1.00 0.00 SBOX ATOM 1834 N1 URA A 64 51.495 47.112 24.881 1.00 0.00 SBOX N ATOM 1835 C6 URA A 64 50.351 47.002 25.661 1.00 0.00 SBOX C ATOM 1836 H6 URA A 64 49.512 47.629 25.397 1.00 0.00 SBOX ATOM 1837 C5 URA A 64 50.284 46.056 26.639 1.00 0.00 SBOX C ATOM 1838 H5 URA A 64 49.393 46.007 27.246 1.00 0.00 SBOX ATOM 1839 C4 URA A 64 51.385 45.142 26.955 1.00 0.00 SBOX C ATOM 1840 O4 URA A 64 51.397 44.263 27.849 1.00 0.00 SBOX O ATOM 1841 N3 URA A 64 52.474 45.348 26.182 1.00 0.00 SBOX N ATOM 1842 H3 URA A 64 53.157 44.605 26.233 1.00 0.00 SBOX ATOM 1843 C2 URA A 64 52.627 46.292 25.181 1.00 0.00 SBOX C ATOM 1844 O2 URA A 64 53.683 46.301 24.461 1.00 0.00 SBOX O ATOM 1845 C3' URA A 64 50.584 48.339 21.741 1.00 0.00 SBOX C ATOM 1846 H3' URA A 64 49.706 47.729 21.954 1.00 0.00 SBOX ATOM 1847 C2' URA A 64 51.805 47.769 22.432 1.00 0.00 SBOX C ATOM 1848 H2'' URA A 64 51.742 46.710 22.180 1.00 0.00 SBOX ATOM 1849 O2' URA A 64 52.986 48.361 22.028 1.00 0.00 SBOX O ATOM 1850 H2' URA A 64 52.808 48.966 21.304 1.00 0.00 SBOX ATOM 1851 O3' URA A 64 50.605 48.612 20.302 1.00 0.00 SBOX O ATOM 1852 P CYT A 65 51.294 49.835 19.658 1.00 0.00 SBOX P ATOM 1853 O1P CYT A 65 50.511 51.067 19.876 1.00 0.00 SBOX ATOM 1854 O2P CYT A 65 52.711 49.813 20.012 1.00 0.00 SBOX ATOM 1855 O5' CYT A 65 51.173 49.378 18.144 1.00 0.00 SBOX O ATOM 1856 C5' CYT A 65 49.812 49.309 17.560 1.00 0.00 SBOX C ATOM 1857 H5' CYT A 65 49.364 50.285 17.371 1.00 0.00 SBOX ATOM 1858 H5'' CYT A 65 49.045 49.013 18.276 1.00 0.00 SBOX ATOM 1859 C4' CYT A 65 49.632 48.259 16.418 1.00 0.00 SBOX C ATOM 1860 H4' CYT A 65 48.593 48.282 16.089 1.00 0.00 SBOX ATOM 1861 O4' CYT A 65 50.414 48.627 15.255 1.00 0.00 SBOX O ATOM 1862 C1' CYT A 65 50.891 47.407 14.676 1.00 0.00 SBOX C ATOM 1863 H1' CYT A 65 50.656 47.488 13.614 1.00 0.00 SBOX ATOM 1864 N1 CYT A 65 52.423 47.349 14.754 1.00 0.00 SBOX N ATOM 1865 C6 CYT A 65 53.216 47.993 15.723 1.00 0.00 SBOX C ATOM 1866 H6 CYT A 65 52.762 48.468 16.580 1.00 0.00 SBOX ATOM 1867 C5 CYT A 65 54.515 47.946 15.547 1.00 0.00 SBOX C ATOM 1868 H5 CYT A 65 55.191 48.286 16.318 1.00 0.00 SBOX ATOM 1869 C4 CYT A 65 55.080 47.194 14.525 1.00 0.00 SBOX C ATOM 1870 N4 CYT A 65 56.396 47.182 14.437 1.00 0.00 SBOX N ATOM 1871 H41 CYT A 65 56.814 46.731 13.636 1.00 0.00 SBOX ATOM 1872 H42 CYT A 65 56.965 47.583 15.169 1.00 0.00 SBOX ATOM 1873 N3 CYT A 65 54.418 46.590 13.562 1.00 0.00 SBOX N ATOM 1874 C2 CYT A 65 53.076 46.723 13.647 1.00 0.00 SBOX C ATOM 1875 O2 CYT A 65 52.491 45.998 12.914 1.00 0.00 SBOX O ATOM 1876 C3' CYT A 65 49.971 46.802 16.773 1.00 0.00 SBOX C ATOM 1877 H3' CYT A 65 50.991 46.739 17.152 1.00 0.00 SBOX ATOM 1878 C2' CYT A 65 50.172 46.219 15.379 1.00 0.00 SBOX C ATOM 1879 H2'' CYT A 65 50.781 45.317 15.321 1.00 0.00 SBOX ATOM 1880 O2' CYT A 65 48.965 46.067 14.606 1.00 0.00 SBOX O ATOM 1881 H2' CYT A 65 48.202 46.381 15.097 1.00 0.00 SBOX ATOM 1882 O3' CYT A 65 49.178 46.122 17.714 1.00 0.00 SBOX O ATOM 1883 P CYT A 66 49.817 45.067 18.804 1.00 0.00 SBOX P ATOM 1884 O1P CYT A 66 51.129 45.621 19.242 1.00 0.00 SBOX ATOM 1885 O2P CYT A 66 48.751 44.711 19.771 1.00 0.00 SBOX ATOM 1886 O5' CYT A 66 50.166 43.850 17.812 1.00 0.00 SBOX O ATOM 1887 C5' CYT A 66 49.080 43.224 17.219 1.00 0.00 SBOX C ATOM 1888 H5' CYT A 66 48.712 43.946 16.491 1.00 0.00 SBOX ATOM 1889 H5'' CYT A 66 48.418 42.815 17.982 1.00 0.00 SBOX ATOM 1890 C4' CYT A 66 49.610 42.152 16.294 1.00 0.00 SBOX C ATOM 1891 H4' CYT A 66 48.722 41.727 15.826 1.00 0.00 SBOX ATOM 1892 O4' CYT A 66 50.307 42.752 15.161 1.00 0.00 SBOX O ATOM 1893 C1' CYT A 66 51.429 41.892 14.829 1.00 0.00 SBOX C ATOM 1894 H1' CYT A 66 51.468 41.526 13.803 1.00 0.00 SBOX ATOM 1895 N1 CYT A 66 52.759 42.456 15.204 1.00 0.00 SBOX N ATOM 1896 C6 CYT A 66 52.834 43.533 16.073 1.00 0.00 SBOX C ATOM 1897 H6 CYT A 66 51.944 44.008 16.459 1.00 0.00 SBOX ATOM 1898 C5 CYT A 66 53.980 44.164 16.375 1.00 0.00 SBOX C ATOM 1899 H5 CYT A 66 53.972 44.958 17.108 1.00 0.00 SBOX ATOM 1900 C4 CYT A 66 55.156 43.640 15.743 1.00 0.00 SBOX C ATOM 1901 N4 CYT A 66 56.365 44.145 16.024 1.00 0.00 SBOX N ATOM 1902 H41 CYT A 66 57.118 43.487 15.878 1.00 0.00 SBOX ATOM 1903 H42 CYT A 66 56.459 44.975 16.590 1.00 0.00 SBOX ATOM 1904 N3 CYT A 66 55.203 42.508 15.131 1.00 0.00 SBOX N ATOM 1905 C2 CYT A 66 54.048 41.929 14.738 1.00 0.00 SBOX C ATOM 1906 O2 CYT A 66 54.086 40.897 14.135 1.00 0.00 SBOX O ATOM 1907 C3' CYT A 66 50.414 41.020 16.908 1.00 0.00 SBOX C ATOM 1908 H3' CYT A 66 51.070 41.442 17.669 1.00 0.00 SBOX ATOM 1909 C2' CYT A 66 51.295 40.535 15.725 1.00 0.00 SBOX C ATOM 1910 H2'' CYT A 66 52.262 40.152 16.052 1.00 0.00 SBOX ATOM 1911 O2' CYT A 66 50.658 39.582 14.927 1.00 0.00 SBOX O ATOM 1912 H2' CYT A 66 49.891 39.444 15.486 1.00 0.00 SBOX ATOM 1913 O3' CYT A 66 49.517 39.934 17.194 1.00 0.00 SBOX O ATOM 1914 P URA A 67 49.748 39.091 18.508 1.00 0.00 SBOX P ATOM 1915 O1P URA A 67 49.970 40.007 19.646 1.00 0.00 SBOX ATOM 1916 O2P URA A 67 48.646 38.150 18.579 1.00 0.00 SBOX ATOM 1917 O5' URA A 67 51.178 38.379 18.317 1.00 0.00 SBOX O ATOM 1918 C5' URA A 67 51.411 37.104 17.537 1.00 0.00 SBOX C ATOM 1919 H5' URA A 67 50.724 37.069 16.691 1.00 0.00 SBOX ATOM 1920 H5'' URA A 67 51.154 36.218 18.117 1.00 0.00 SBOX ATOM 1921 C4' URA A 67 52.885 37.021 17.133 1.00 0.00 SBOX C ATOM 1922 H4' URA A 67 53.078 36.260 16.376 1.00 0.00 SBOX ATOM 1923 O4' URA A 67 53.344 38.310 16.691 1.00 0.00 SBOX O ATOM 1924 C1' URA A 67 54.681 38.455 17.189 1.00 0.00 SBOX C ATOM 1925 H1' URA A 67 55.312 38.464 16.300 1.00 0.00 SBOX ATOM 1926 N1 URA A 67 54.869 39.736 17.846 1.00 0.00 SBOX N ATOM 1927 C6 URA A 67 53.855 40.303 18.632 1.00 0.00 SBOX C ATOM 1928 H6 URA A 67 52.923 39.801 18.847 1.00 0.00 SBOX ATOM 1929 C5 URA A 67 53.982 41.515 19.156 1.00 0.00 SBOX C ATOM 1930 H5 URA A 67 53.212 41.982 19.752 1.00 0.00 SBOX ATOM 1931 C4 URA A 67 55.153 42.324 18.915 1.00 0.00 SBOX C ATOM 1932 O4 URA A 67 55.410 43.395 19.345 1.00 0.00 SBOX O ATOM 1933 N3 URA A 67 56.134 41.684 18.125 1.00 0.00 SBOX N ATOM 1934 H3 URA A 67 57.060 42.085 18.080 1.00 0.00 SBOX ATOM 1935 C2 URA A 67 56.049 40.374 17.688 1.00 0.00 SBOX C ATOM 1936 O2 URA A 67 57.077 39.845 17.273 1.00 0.00 SBOX O ATOM 1937 C3' URA A 67 53.687 36.596 18.376 1.00 0.00 SBOX C ATOM 1938 H3' URA A 67 53.186 36.953 19.276 1.00 0.00 SBOX ATOM 1939 C2' URA A 67 55.060 37.305 18.158 1.00 0.00 SBOX C ATOM 1940 H2'' URA A 67 55.328 37.586 19.177 1.00 0.00 SBOX ATOM 1941 O2' URA A 67 56.098 36.445 17.646 1.00 0.00 SBOX O ATOM 1942 H2' URA A 67 56.418 35.765 18.243 1.00 0.00 SBOX ATOM 1943 O3' URA A 67 53.825 35.160 18.267 1.00 0.00 SBOX O ATOM 1944 P GUA A 68 54.284 34.269 19.483 1.00 0.00 SBOX P ATOM 1945 O1P GUA A 68 53.535 34.797 20.653 1.00 0.00 SBOX ATOM 1946 O2P GUA A 68 54.096 32.827 19.127 1.00 0.00 SBOX ATOM 1947 O5' GUA A 68 55.862 34.491 19.724 1.00 0.00 SBOX O ATOM 1948 C5' GUA A 68 56.826 33.622 19.129 1.00 0.00 SBOX C ATOM 1949 H5' GUA A 68 56.679 33.477 18.059 1.00 0.00 SBOX ATOM 1950 H5'' GUA A 68 56.591 32.648 19.559 1.00 0.00 SBOX ATOM 1951 C4' GUA A 68 58.335 33.894 19.387 1.00 0.00 SBOX C ATOM 1952 H4' GUA A 68 58.922 33.209 18.776 1.00 0.00 SBOX ATOM 1953 O4' GUA A 68 58.606 35.189 18.720 1.00 0.00 SBOX O ATOM 1954 C1' GUA A 68 59.452 35.882 19.587 1.00 0.00 SBOX C ATOM 1955 H1' GUA A 68 60.299 36.297 19.041 1.00 0.00 SBOX ATOM 1956 N9 GUA A 68 58.788 37.100 20.119 1.00 0.00 SBOX N ATOM 1957 C8 GUA A 68 57.525 37.262 20.539 1.00 0.00 SBOX C ATOM 1958 H8 GUA A 68 56.826 36.441 20.487 1.00 0.00 SBOX ATOM 1959 N7 GUA A 68 57.129 38.514 20.707 1.00 0.00 SBOX N ATOM 1960 C5 GUA A 68 58.336 39.137 20.460 1.00 0.00 SBOX C ATOM 1961 C6 GUA A 68 58.633 40.530 20.686 1.00 0.00 SBOX C ATOM 1962 O6 GUA A 68 57.882 41.385 21.011 1.00 0.00 SBOX O ATOM 1963 N1 GUA A 68 59.963 40.832 20.544 1.00 0.00 SBOX N ATOM 1964 H1 GUA A 68 60.133 41.811 20.725 1.00 0.00 SBOX ATOM 1965 C2 GUA A 68 60.935 39.968 20.276 1.00 0.00 SBOX C ATOM 1966 N2 GUA A 68 62.086 40.369 20.353 1.00 0.00 SBOX N ATOM 1967 H21 GUA A 68 62.233 41.278 20.767 1.00 0.00 SBOX ATOM 1968 H22 GUA A 68 62.862 39.724 20.398 1.00 0.00 SBOX ATOM 1969 N3 GUA A 68 60.729 38.660 20.031 1.00 0.00 SBOX N ATOM 1970 C4 GUA A 68 59.403 38.296 20.209 1.00 0.00 SBOX C ATOM 1971 C3' GUA A 68 58.816 33.997 20.839 1.00 0.00 SBOX C ATOM 1972 H3' GUA A 68 58.101 34.562 21.437 1.00 0.00 SBOX ATOM 1973 C2' GUA A 68 59.999 34.909 20.626 1.00 0.00 SBOX C ATOM 1974 H2'' GUA A 68 60.271 35.392 21.565 1.00 0.00 SBOX ATOM 1975 O2' GUA A 68 61.188 34.340 19.984 1.00 0.00 SBOX O ATOM 1976 H2' GUA A 68 61.449 33.620 20.563 1.00 0.00 SBOX ATOM 1977 O3' GUA A 68 59.218 32.893 21.581 1.00 0.00 SBOX O ATOM 1978 P CYT A 69 60.127 31.699 21.119 1.00 0.00 SBOX P ATOM 1979 O1P CYT A 69 59.593 31.020 19.974 1.00 0.00 SBOX ATOM 1980 O2P CYT A 69 61.481 32.103 21.129 1.00 0.00 SBOX ATOM 1981 O5' CYT A 69 59.886 30.742 22.443 1.00 0.00 SBOX O ATOM 1982 C5' CYT A 69 60.738 30.719 23.588 1.00 0.00 SBOX C ATOM 1983 H5' CYT A 69 61.002 31.754 23.803 1.00 0.00 SBOX ATOM 1984 H5'' CYT A 69 61.611 30.067 23.594 1.00 0.00 SBOX ATOM 1985 C4' CYT A 69 59.837 30.376 24.784 1.00 0.00 SBOX C ATOM 1986 H4' CYT A 69 60.583 30.128 25.539 1.00 0.00 SBOX ATOM 1987 O4' CYT A 69 59.173 31.515 25.207 1.00 0.00 SBOX O ATOM 1988 C1' CYT A 69 57.935 31.194 25.853 1.00 0.00 SBOX C ATOM 1989 H1' CYT A 69 57.944 31.487 26.903 1.00 0.00 SBOX ATOM 1990 N1 CYT A 69 56.811 31.857 25.018 1.00 0.00 SBOX N ATOM 1991 C6 CYT A 69 57.032 32.414 23.795 1.00 0.00 SBOX C ATOM 1992 H6 CYT A 69 58.030 32.449 23.383 1.00 0.00 SBOX ATOM 1993 C5 CYT A 69 55.962 32.942 23.102 1.00 0.00 SBOX C ATOM 1994 H5 CYT A 69 56.039 33.291 22.083 1.00 0.00 SBOX ATOM 1995 C4 CYT A 69 54.661 32.902 23.668 1.00 0.00 SBOX C ATOM 1996 N4 CYT A 69 53.610 33.411 23.133 1.00 0.00 SBOX N ATOM 1997 H41 CYT A 69 52.801 33.617 23.701 1.00 0.00 SBOX ATOM 1998 H42 CYT A 69 53.641 33.880 22.239 1.00 0.00 SBOX ATOM 1999 N3 CYT A 69 54.511 32.539 24.939 1.00 0.00 SBOX N ATOM 2000 C2 CYT A 69 55.565 32.054 25.635 1.00 0.00 SBOX C ATOM 2001 O2 CYT A 69 55.489 31.757 26.820 1.00 0.00 SBOX O ATOM 2002 C3' CYT A 69 58.760 29.190 24.786 1.00 0.00 SBOX C ATOM 2003 H3' CYT A 69 58.230 29.194 23.833 1.00 0.00 SBOX ATOM 2004 C2' CYT A 69 57.902 29.643 25.930 1.00 0.00 SBOX C ATOM 2005 H2'' CYT A 69 56.857 29.371 25.779 1.00 0.00 SBOX ATOM 2006 O2' CYT A 69 58.327 29.342 27.270 1.00 0.00 SBOX O ATOM 2007 H2' CYT A 69 57.565 29.462 27.841 1.00 0.00 SBOX ATOM 2008 O3' CYT A 69 59.376 27.965 25.036 1.00 0.00 SBOX O ATOM 2009 P ADE A 70 58.672 26.597 24.718 1.00 0.00 SBOX P ATOM 2010 O1P ADE A 70 58.235 26.533 23.316 1.00 0.00 SBOX ATOM 2011 O2P ADE A 70 59.584 25.529 25.263 1.00 0.00 SBOX ATOM 2012 O5' ADE A 70 57.350 26.670 25.508 1.00 0.00 SBOX O ATOM 2013 C5' ADE A 70 57.118 26.022 26.821 1.00 0.00 SBOX C ATOM 2014 H5' ADE A 70 57.832 26.333 27.584 1.00 0.00 SBOX ATOM 2015 H5'' ADE A 70 57.093 24.932 26.845 1.00 0.00 SBOX ATOM 2016 C4' ADE A 70 55.739 26.412 27.358 1.00 0.00 SBOX C ATOM 2017 H4' ADE A 70 55.756 26.202 28.428 1.00 0.00 SBOX ATOM 2018 O4' ADE A 70 55.439 27.768 27.137 1.00 0.00 SBOX O ATOM 2019 C1' ADE A 70 54.036 27.991 27.197 1.00 0.00 SBOX C ATOM 2020 H1' ADE A 70 53.806 28.659 28.026 1.00 0.00 SBOX ATOM 2021 N9 ADE A 70 53.640 28.669 25.917 1.00 0.00 SBOX N ATOM 2022 C8 ADE A 70 54.347 28.837 24.754 1.00 0.00 SBOX C ATOM 2023 H8 ADE A 70 55.319 28.370 24.695 1.00 0.00 SBOX ATOM 2024 N7 ADE A 70 53.704 29.477 23.776 1.00 0.00 SBOX N ATOM 2025 C5 ADE A 70 52.502 29.682 24.393 1.00 0.00 SBOX C ATOM 2026 C6 ADE A 70 51.309 30.399 24.068 1.00 0.00 SBOX C ATOM 2027 N6 ADE A 70 51.087 31.171 23.021 1.00 0.00 SBOX N ATOM 2028 H61 ADE A 70 50.218 31.685 23.051 1.00 0.00 SBOX ATOM 2029 H62 ADE A 70 51.811 31.331 22.336 1.00 0.00 SBOX ATOM 2030 N1 ADE A 70 50.243 30.437 24.881 1.00 0.00 SBOX N ATOM 2031 C2 ADE A 70 50.271 29.880 26.055 1.00 0.00 SBOX C ATOM 2032 H2 ADE A 70 49.418 29.977 26.710 1.00 0.00 SBOX ATOM 2033 N3 ADE A 70 51.376 29.326 26.555 1.00 0.00 SBOX N ATOM 2034 C4 ADE A 70 52.443 29.158 25.633 1.00 0.00 SBOX C ATOM 2035 C3' ADE A 70 54.594 25.733 26.735 1.00 0.00 SBOX C ATOM 2036 H3' ADE A 70 54.713 25.810 25.654 1.00 0.00 SBOX ATOM 2037 C2' ADE A 70 53.427 26.582 27.288 1.00 0.00 SBOX C ATOM 2038 H2'' ADE A 70 52.606 26.568 26.571 1.00 0.00 SBOX ATOM 2039 O2' ADE A 70 53.081 26.311 28.648 1.00 0.00 SBOX O ATOM 2040 H2' ADE A 70 52.314 26.822 28.916 1.00 0.00 SBOX ATOM 2041 O3' ADE A 70 54.555 24.291 27.024 1.00 0.00 SBOX O ATOM 2042 P GUA A 71 53.333 23.367 26.631 1.00 0.00 SBOX P ATOM 2043 O1P GUA A 71 53.278 23.441 25.146 1.00 0.00 SBOX ATOM 2044 O2P GUA A 71 53.573 22.080 27.292 1.00 0.00 SBOX ATOM 2045 O5' GUA A 71 51.903 23.878 27.123 1.00 0.00 SBOX O ATOM 2046 C5' GUA A 71 51.427 23.786 28.488 1.00 0.00 SBOX C ATOM 2047 H5' GUA A 71 52.074 24.344 29.165 1.00 0.00 SBOX ATOM 2048 H5'' GUA A 71 51.497 22.738 28.780 1.00 0.00 SBOX ATOM 2049 C4' GUA A 71 50.012 24.232 28.592 1.00 0.00 SBOX C ATOM 2050 H4' GUA A 71 49.604 24.146 29.599 1.00 0.00 SBOX ATOM 2051 O4' GUA A 71 49.895 25.545 28.183 1.00 0.00 SBOX O ATOM 2052 C1' GUA A 71 48.603 25.776 27.643 1.00 0.00 SBOX C ATOM 2053 H1' GUA A 71 48.133 26.556 28.242 1.00 0.00 SBOX ATOM 2054 N9 GUA A 71 48.747 26.434 26.257 1.00 0.00 SBOX N ATOM 2055 C8 GUA A 71 49.712 26.269 25.316 1.00 0.00 SBOX C ATOM 2056 H8 GUA A 71 50.568 25.612 25.359 1.00 0.00 SBOX ATOM 2057 N7 GUA A 71 49.619 27.089 24.320 1.00 0.00 SBOX N ATOM 2058 C5 GUA A 71 48.319 27.676 24.524 1.00 0.00 SBOX C ATOM 2059 C6 GUA A 71 47.527 28.554 23.712 1.00 0.00 SBOX C ATOM 2060 O6 GUA A 71 47.805 29.106 22.661 1.00 0.00 SBOX O ATOM 2061 N1 GUA A 71 46.290 28.742 24.267 1.00 0.00 SBOX N ATOM 2062 H1 GUA A 71 45.609 29.221 23.695 1.00 0.00 SBOX ATOM 2063 C2 GUA A 71 45.840 28.161 25.406 1.00 0.00 SBOX C ATOM 2064 N2 GUA A 71 44.601 28.326 25.684 1.00 0.00 SBOX N ATOM 2065 H21 GUA A 71 44.017 28.928 25.121 1.00 0.00 SBOX ATOM 2066 H22 GUA A 71 44.197 27.817 26.457 1.00 0.00 SBOX ATOM 2067 N3 GUA A 71 46.595 27.385 26.183 1.00 0.00 SBOX N ATOM 2068 C4 GUA A 71 47.799 27.153 25.634 1.00 0.00 SBOX C ATOM 2069 C3' GUA A 71 49.049 23.482 27.616 1.00 0.00 SBOX C ATOM 2070 H3' GUA A 71 49.352 23.621 26.578 1.00 0.00 SBOX ATOM 2071 C2' GUA A 71 47.853 24.463 27.629 1.00 0.00 SBOX C ATOM 2072 H2'' GUA A 71 47.340 24.438 26.667 1.00 0.00 SBOX ATOM 2073 O2' GUA A 71 47.049 24.448 28.832 1.00 0.00 SBOX O ATOM 2074 H2' GUA A 71 46.408 25.158 28.760 1.00 0.00 SBOX ATOM 2075 O3' GUA A 71 48.620 22.135 28.024 1.00 0.00 SBOX O ATOM 2076 P CYT A 72 48.398 21.108 26.901 1.00 0.00 SBOX P ATOM 2077 O1P CYT A 72 49.323 21.309 25.822 1.00 0.00 SBOX ATOM 2078 O2P CYT A 72 48.271 19.743 27.608 1.00 0.00 SBOX ATOM 2079 O5' CYT A 72 46.997 21.682 26.372 1.00 0.00 SBOX O ATOM 2080 C5' CYT A 72 45.819 21.628 27.238 1.00 0.00 SBOX C ATOM 2081 H5' CYT A 72 45.949 22.272 28.108 1.00 0.00 SBOX ATOM 2082 H5'' CYT A 72 45.547 20.602 27.484 1.00 0.00 SBOX ATOM 2083 C4' CYT A 72 44.700 22.285 26.503 1.00 0.00 SBOX C ATOM 2084 H4' CYT A 72 43.758 22.268 27.051 1.00 0.00 SBOX ATOM 2085 O4' CYT A 72 45.034 23.649 26.270 1.00 0.00 SBOX O ATOM 2086 C1' CYT A 72 44.346 24.112 25.197 1.00 0.00 SBOX C ATOM 2087 H1' CYT A 72 43.621 24.843 25.555 1.00 0.00 SBOX ATOM 2088 N1 CYT A 72 45.308 24.690 24.216 1.00 0.00 SBOX N ATOM 2089 C6 CYT A 72 46.550 24.177 24.105 1.00 0.00 SBOX C ATOM 2090 H6 CYT A 72 46.933 23.458 24.814 1.00 0.00 SBOX ATOM 2091 C5 CYT A 72 47.405 24.639 23.180 1.00 0.00 SBOX C ATOM 2092 H5 CYT A 72 48.423 24.283 23.119 1.00 0.00 SBOX ATOM 2093 C4 CYT A 72 46.909 25.698 22.307 1.00 0.00 SBOX C ATOM 2094 N4 CYT A 72 47.666 26.156 21.373 1.00 0.00 SBOX N ATOM 2095 H41 CYT A 72 47.358 26.953 20.834 1.00 0.00 SBOX ATOM 2096 H42 CYT A 72 48.613 25.813 21.311 1.00 0.00 SBOX ATOM 2097 N3 CYT A 72 45.737 26.265 22.377 1.00 0.00 SBOX N ATOM 2098 C2 CYT A 72 44.922 25.674 23.257 1.00 0.00 SBOX C ATOM 2099 O2 CYT A 72 43.722 26.035 23.263 1.00 0.00 SBOX O ATOM 2100 C3' CYT A 72 44.341 21.776 25.120 1.00 0.00 SBOX C ATOM 2101 H3' CYT A 72 45.267 21.677 24.552 1.00 0.00 SBOX ATOM 2102 C2' CYT A 72 43.565 22.946 24.582 1.00 0.00 SBOX C ATOM 2103 H2'' CYT A 72 43.586 22.912 23.493 1.00 0.00 SBOX ATOM 2104 O2' CYT A 72 42.198 22.947 24.982 1.00 0.00 SBOX O ATOM 2105 H2' CYT A 72 41.835 22.060 25.024 1.00 0.00 SBOX ATOM 2106 O3' CYT A 72 43.641 20.575 25.070 1.00 0.00 SBOX O ATOM 2107 P GUA A 73 43.677 19.652 23.784 1.00 0.00 SBOX P ATOM 2108 O1P GUA A 73 45.049 19.208 23.457 1.00 0.00 SBOX ATOM 2109 O2P GUA A 73 42.705 18.590 24.015 1.00 0.00 SBOX ATOM 2110 O5' GUA A 73 43.162 20.415 22.491 1.00 0.00 SBOX O ATOM 2111 C5' GUA A 73 41.801 20.895 22.311 1.00 0.00 SBOX C ATOM 2112 H5' GUA A 73 41.444 21.321 23.249 1.00 0.00 SBOX ATOM 2113 H5'' GUA A 73 41.117 20.130 21.944 1.00 0.00 SBOX ATOM 2114 C4' GUA A 73 41.559 21.968 21.211 1.00 0.00 SBOX C ATOM 2115 H4' GUA A 73 40.495 22.207 21.212 1.00 0.00 SBOX ATOM 2116 O4' GUA A 73 42.304 23.155 21.342 1.00 0.00 SBOX O ATOM 2117 C1' GUA A 73 42.564 23.626 20.065 1.00 0.00 SBOX C ATOM 2118 H1' GUA A 73 42.198 24.646 19.948 1.00 0.00 SBOX ATOM 2119 N9 GUA A 73 43.993 23.698 19.779 1.00 0.00 SBOX N ATOM 2120 C8 GUA A 73 45.060 23.093 20.461 1.00 0.00 SBOX C ATOM 2121 H8 GUA A 73 44.853 22.375 21.242 1.00 0.00 SBOX ATOM 2122 N7 GUA A 73 46.193 23.440 19.965 1.00 0.00 SBOX N ATOM 2123 C5 GUA A 73 45.841 24.282 18.895 1.00 0.00 SBOX C ATOM 2124 C6 GUA A 73 46.627 25.029 17.924 1.00 0.00 SBOX C ATOM 2125 O6 GUA A 73 47.846 25.262 17.847 1.00 0.00 SBOX O ATOM 2126 N1 GUA A 73 45.843 25.611 17.016 1.00 0.00 SBOX N ATOM 2127 H1 GUA A 73 46.308 26.105 16.268 1.00 0.00 SBOX ATOM 2128 C2 GUA A 73 44.507 25.709 16.967 1.00 0.00 SBOX C ATOM 2129 N2 GUA A 73 43.959 26.588 16.154 1.00 0.00 SBOX N ATOM 2130 H21 GUA A 73 44.627 27.061 15.562 1.00 0.00 SBOX ATOM 2131 H22 GUA A 73 42.952 26.653 16.116 1.00 0.00 SBOX ATOM 2132 N3 GUA A 73 43.729 25.129 17.863 1.00 0.00 SBOX N ATOM 2133 C4 GUA A 73 44.512 24.416 18.783 1.00 0.00 SBOX C ATOM 2134 C3' GUA A 73 41.822 21.477 19.785 1.00 0.00 SBOX C ATOM 2135 H3' GUA A 73 42.806 21.014 19.866 1.00 0.00 SBOX ATOM 2136 C2' GUA A 73 41.795 22.811 19.019 1.00 0.00 SBOX C ATOM 2137 H2'' GUA A 73 42.338 22.673 18.084 1.00 0.00 SBOX ATOM 2138 O2' GUA A 73 40.460 23.370 18.849 1.00 0.00 SBOX O ATOM 2139 H2' GUA A 73 40.173 23.525 17.946 1.00 0.00 SBOX ATOM 2140 O3' GUA A 73 40.863 20.521 19.275 1.00 0.00 SBOX O ATOM 2141 P GUA A 74 41.266 19.069 18.532 1.00 0.00 SBOX P ATOM 2142 O1P GUA A 74 42.517 18.655 19.243 1.00 0.00 SBOX ATOM 2143 O2P GUA A 74 40.127 18.132 18.430 1.00 0.00 SBOX ATOM 2144 O5' GUA A 74 41.758 19.215 17.010 1.00 0.00 SBOX O ATOM 2145 C5' GUA A 74 42.590 20.372 16.642 1.00 0.00 SBOX C ATOM 2146 H5' GUA A 74 43.411 20.645 17.305 1.00 0.00 SBOX ATOM 2147 H5'' GUA A 74 41.993 21.279 16.736 1.00 0.00 SBOX ATOM 2148 C4' GUA A 74 43.018 20.419 15.144 1.00 0.00 SBOX C ATOM 2149 H4' GUA A 74 42.184 20.196 14.479 1.00 0.00 SBOX ATOM 2150 O4' GUA A 74 43.561 21.761 15.037 1.00 0.00 SBOX O ATOM 2151 C1' GUA A 74 44.759 21.773 14.258 1.00 0.00 SBOX C ATOM 2152 H1' GUA A 74 44.640 22.387 13.365 1.00 0.00 SBOX ATOM 2153 N9 GUA A 74 45.908 22.288 15.044 1.00 0.00 SBOX N ATOM 2154 C8 GUA A 74 46.242 21.896 16.296 1.00 0.00 SBOX C ATOM 2155 H8 GUA A 74 45.557 21.326 16.906 1.00 0.00 SBOX ATOM 2156 N7 GUA A 74 47.477 22.168 16.675 1.00 0.00 SBOX N ATOM 2157 C5 GUA A 74 47.904 22.952 15.541 1.00 0.00 SBOX C ATOM 2158 C6 GUA A 74 49.153 23.563 15.184 1.00 0.00 SBOX C ATOM 2159 O6 GUA A 74 50.214 23.559 15.713 1.00 0.00 SBOX O ATOM 2160 N1 GUA A 74 49.209 24.253 13.986 1.00 0.00 SBOX N ATOM 2161 H1 GUA A 74 50.038 24.811 13.834 1.00 0.00 SBOX ATOM 2162 C2 GUA A 74 48.052 24.465 13.227 1.00 0.00 SBOX C ATOM 2163 N2 GUA A 74 48.229 25.218 12.208 1.00 0.00 SBOX N ATOM 2164 H21 GUA A 74 49.135 25.624 12.022 1.00 0.00 SBOX ATOM 2165 H22 GUA A 74 47.401 25.492 11.698 1.00 0.00 SBOX ATOM 2166 N3 GUA A 74 46.848 23.956 13.534 1.00 0.00 SBOX N ATOM 2167 C4 GUA A 74 46.869 23.157 14.666 1.00 0.00 SBOX C ATOM 2168 C3' GUA A 74 44.195 19.487 14.710 1.00 0.00 SBOX C ATOM 2169 H3' GUA A 74 44.872 19.266 15.535 1.00 0.00 SBOX ATOM 2170 C2' GUA A 74 45.052 20.318 13.718 1.00 0.00 SBOX C ATOM 2171 H2'' GUA A 74 46.114 20.098 13.828 1.00 0.00 SBOX ATOM 2172 O2' GUA A 74 44.610 20.349 12.333 1.00 0.00 SBOX O ATOM 2173 H2' GUA A 74 45.253 20.830 11.806 1.00 0.00 SBOX ATOM 2174 O3' GUA A 74 43.690 18.338 14.006 1.00 0.00 SBOX O ATOM 2175 P ADE A 75 44.432 16.947 13.943 1.00 0.00 SBOX P ATOM 2176 O1P ADE A 75 44.942 16.606 15.302 1.00 0.00 SBOX ATOM 2177 O2P ADE A 75 43.604 16.026 13.175 1.00 0.00 SBOX ATOM 2178 O5' ADE A 75 45.657 17.380 13.027 1.00 0.00 SBOX O ATOM 2179 C5' ADE A 75 46.894 16.724 13.045 1.00 0.00 SBOX C ATOM 2180 H5' ADE A 75 46.767 15.642 13.083 1.00 0.00 SBOX ATOM 2181 H5'' ADE A 75 47.542 17.061 13.853 1.00 0.00 SBOX ATOM 2182 C4' ADE A 75 47.770 16.940 11.810 1.00 0.00 SBOX C ATOM 2183 H4' ADE A 75 48.682 16.395 12.056 1.00 0.00 SBOX ATOM 2184 O4' ADE A 75 47.240 16.398 10.620 1.00 0.00 SBOX O ATOM 2185 C1' ADE A 75 47.438 17.347 9.578 1.00 0.00 SBOX C ATOM 2186 H1' ADE A 75 47.815 16.896 8.661 1.00 0.00 SBOX ATOM 2187 N9 ADE A 75 46.048 17.747 9.265 1.00 0.00 SBOX N ATOM 2188 C8 ADE A 75 44.874 17.463 9.947 1.00 0.00 SBOX C ATOM 2189 H8 ADE A 75 44.838 16.912 10.876 1.00 0.00 SBOX ATOM 2190 N7 ADE A 75 43.816 18.024 9.455 1.00 0.00 SBOX N ATOM 2191 C5 ADE A 75 44.324 18.737 8.359 1.00 0.00 SBOX C ATOM 2192 C6 ADE A 75 43.732 19.500 7.316 1.00 0.00 SBOX C ATOM 2193 N6 ADE A 75 42.461 19.662 7.252 1.00 0.00 SBOX N ATOM 2194 H61 ADE A 75 42.178 20.264 6.492 1.00 0.00 SBOX ATOM 2195 H62 ADE A 75 41.821 19.409 7.991 1.00 0.00 SBOX ATOM 2196 N1 ADE A 75 44.522 20.012 6.315 1.00 0.00 SBOX N ATOM 2197 C2 ADE A 75 45.836 19.736 6.296 1.00 0.00 SBOX C ATOM 2198 H2 ADE A 75 46.378 20.069 5.424 1.00 0.00 SBOX ATOM 2199 N3 ADE A 75 46.466 18.956 7.141 1.00 0.00 SBOX N ATOM 2200 C4 ADE A 75 45.689 18.540 8.185 1.00 0.00 SBOX C ATOM 2201 C3' ADE A 75 48.134 18.403 11.502 1.00 0.00 SBOX C ATOM 2202 H3' ADE A 75 47.284 18.959 11.898 1.00 0.00 SBOX ATOM 2203 C2' ADE A 75 48.330 18.489 9.953 1.00 0.00 SBOX C ATOM 2204 H2'' ADE A 75 48.135 19.460 9.498 1.00 0.00 SBOX ATOM 2205 O2' ADE A 75 49.607 18.240 9.436 1.00 0.00 SBOX O ATOM 2206 H2' ADE A 75 49.964 17.400 9.735 1.00 0.00 SBOX ATOM 2207 O3' ADE A 75 49.376 18.781 12.241 1.00 0.00 SBOX O ATOM 2208 P ADE A 76 49.582 20.251 12.646 1.00 0.00 SBOX P ATOM 2209 O1P ADE A 76 48.469 20.657 13.485 1.00 0.00 SBOX ATOM 2210 O2P ADE A 76 50.903 20.242 13.251 1.00 0.00 SBOX ATOM 2211 O5' ADE A 76 49.622 21.203 11.402 1.00 0.00 SBOX O ATOM 2212 C5' ADE A 76 50.723 21.329 10.568 1.00 0.00 SBOX C ATOM 2213 H5' ADE A 76 50.893 20.336 10.152 1.00 0.00 SBOX ATOM 2214 H5'' ADE A 76 51.568 21.774 11.094 1.00 0.00 SBOX ATOM 2215 C4' ADE A 76 50.255 22.248 9.411 1.00 0.00 SBOX C ATOM 2216 H4' ADE A 76 51.099 22.290 8.723 1.00 0.00 SBOX ATOM 2217 O4' ADE A 76 49.066 21.779 8.832 1.00 0.00 SBOX O ATOM 2218 C1' ADE A 76 48.419 22.798 8.140 1.00 0.00 SBOX C ATOM 2219 H1' ADE A 76 48.391 22.489 7.095 1.00 0.00 SBOX ATOM 2220 N9 ADE A 76 47.065 22.849 8.663 1.00 0.00 SBOX N ATOM 2221 C8 ADE A 76 46.662 22.624 9.976 1.00 0.00 SBOX C ATOM 2222 H8 ADE A 76 47.418 22.438 10.725 1.00 0.00 SBOX ATOM 2223 N7 ADE A 76 45.380 22.578 10.178 1.00 0.00 SBOX N ATOM 2224 C5 ADE A 76 44.887 22.778 8.888 1.00 0.00 SBOX C ATOM 2225 C6 ADE A 76 43.603 22.842 8.313 1.00 0.00 SBOX C ATOM 2226 N6 ADE A 76 42.540 22.571 8.979 1.00 0.00 SBOX N ATOM 2227 H61 ADE A 76 41.736 22.488 8.373 1.00 0.00 SBOX ATOM 2228 H62 ADE A 76 42.555 22.173 9.907 1.00 0.00 SBOX ATOM 2229 N1 ADE A 76 43.318 23.197 7.065 1.00 0.00 SBOX N ATOM 2230 C2 ADE A 76 44.431 23.390 6.305 1.00 0.00 SBOX C ATOM 2231 H2 ADE A 76 44.297 23.518 5.241 1.00 0.00 SBOX ATOM 2232 N3 ADE A 76 45.725 23.334 6.670 1.00 0.00 SBOX N ATOM 2233 C4 ADE A 76 45.909 23.078 8.005 1.00 0.00 SBOX C ATOM 2234 C3' ADE A 76 49.975 23.718 9.649 1.00 0.00 SBOX C ATOM 2235 H3' ADE A 76 49.294 23.868 10.488 1.00 0.00 SBOX ATOM 2236 C2' ADE A 76 49.247 24.037 8.320 1.00 0.00 SBOX C ATOM 2237 H2'' ADE A 76 48.601 24.909 8.429 1.00 0.00 SBOX ATOM 2238 O2' ADE A 76 50.147 24.225 7.246 1.00 0.00 SBOX O ATOM 2239 H2' ADE A 76 50.827 24.868 7.459 1.00 0.00 SBOX ATOM 2240 O3' ADE A 76 51.144 24.510 9.708 1.00 0.00 SBOX O ATOM 2241 P ADE A 77 51.222 25.928 10.394 1.00 0.00 SBOX P ATOM 2242 O1P ADE A 77 50.842 25.762 11.867 1.00 0.00 SBOX ATOM 2243 O2P ADE A 77 52.558 26.413 10.087 1.00 0.00 SBOX ATOM 2244 O5' ADE A 77 50.203 26.885 9.661 1.00 0.00 SBOX O ATOM 2245 C5' ADE A 77 50.508 27.361 8.379 1.00 0.00 SBOX C ATOM 2246 H5' ADE A 77 50.868 26.640 7.646 1.00 0.00 SBOX ATOM 2247 H5'' ADE A 77 51.335 28.063 8.486 1.00 0.00 SBOX ATOM 2248 C4' ADE A 77 49.370 28.118 7.689 1.00 0.00 SBOX C ATOM 2249 H4' ADE A 77 49.825 28.443 6.754 1.00 0.00 SBOX ATOM 2250 O4' ADE A 77 48.354 27.132 7.312 1.00 0.00 SBOX O ATOM 2251 C1' ADE A 77 47.045 27.688 7.331 1.00 0.00 SBOX C ATOM 2252 H1' ADE A 77 46.596 27.628 6.340 1.00 0.00 SBOX ATOM 2253 N9 ADE A 77 46.194 27.096 8.476 1.00 0.00 SBOX N ATOM 2254 C8 ADE A 77 46.663 26.618 9.720 1.00 0.00 SBOX C ATOM 2255 H8 ADE A 77 47.706 26.573 9.996 1.00 0.00 SBOX ATOM 2256 N7 ADE A 77 45.734 26.107 10.483 1.00 0.00 SBOX N ATOM 2257 C5 ADE A 77 44.545 26.321 9.721 1.00 0.00 SBOX C ATOM 2258 C6 ADE A 77 43.173 25.947 9.811 1.00 0.00 SBOX C ATOM 2259 N6 ADE A 77 42.631 25.495 10.923 1.00 0.00 SBOX N ATOM 2260 H61 ADE A 77 41.672 25.177 10.909 1.00 0.00 SBOX ATOM 2261 H62 ADE A 77 43.182 25.276 11.741 1.00 0.00 SBOX ATOM 2262 N1 ADE A 77 42.386 26.088 8.797 1.00 0.00 SBOX N ATOM 2263 C2 ADE A 77 42.803 26.622 7.680 1.00 0.00 SBOX C ATOM 2264 H2 ADE A 77 42.087 26.644 6.872 1.00 0.00 SBOX ATOM 2265 N3 ADE A 77 44.004 27.036 7.426 1.00 0.00 SBOX N ATOM 2266 C4 ADE A 77 44.864 26.848 8.471 1.00 0.00 SBOX C ATOM 2267 C3' ADE A 77 48.676 29.220 8.474 1.00 0.00 SBOX C ATOM 2268 H3' ADE A 77 48.544 28.976 9.528 1.00 0.00 SBOX ATOM 2269 C2' ADE A 77 47.306 29.168 7.718 1.00 0.00 SBOX C ATOM 2270 H2'' ADE A 77 46.483 29.491 8.355 1.00 0.00 SBOX ATOM 2271 O2' ADE A 77 47.273 29.891 6.443 1.00 0.00 SBOX O ATOM 2272 H2' ADE A 77 47.709 30.734 6.590 1.00 0.00 SBOX ATOM 2273 O3' ADE A 77 49.075 30.544 8.214 1.00 0.00 SBOX O ATOM 2274 P CYT A 78 49.659 31.409 9.471 1.00 0.00 SBOX P ATOM 2275 O1P CYT A 78 50.547 30.563 10.318 1.00 0.00 SBOX ATOM 2276 O2P CYT A 78 50.194 32.633 8.849 1.00 0.00 SBOX ATOM 2277 O5' CYT A 78 48.366 31.743 10.418 1.00 0.00 SBOX O ATOM 2278 C5' CYT A 78 47.054 31.959 9.964 1.00 0.00 SBOX C ATOM 2279 H5' CYT A 78 46.959 31.569 8.951 1.00 0.00 SBOX ATOM 2280 H5'' CYT A 78 46.952 33.044 9.961 1.00 0.00 SBOX ATOM 2281 C4' CYT A 78 45.978 31.272 10.819 1.00 0.00 SBOX C ATOM 2282 H4' CYT A 78 45.031 31.436 10.304 1.00 0.00 SBOX ATOM 2283 O4' CYT A 78 46.309 29.955 10.889 1.00 0.00 SBOX O ATOM 2284 C1' CYT A 78 45.878 29.397 12.161 1.00 0.00 SBOX C ATOM 2285 H1' CYT A 78 44.961 28.829 12.001 1.00 0.00 SBOX ATOM 2286 N1 CYT A 78 46.946 28.642 12.919 1.00 0.00 SBOX N ATOM 2287 C6 CYT A 78 48.272 28.935 12.964 1.00 0.00 SBOX C ATOM 2288 H6 CYT A 78 48.691 29.695 12.321 1.00 0.00 SBOX ATOM 2289 C5 CYT A 78 48.969 28.317 13.953 1.00 0.00 SBOX C ATOM 2290 H5 CYT A 78 50.014 28.554 14.086 1.00 0.00 SBOX ATOM 2291 C4 CYT A 78 48.356 27.422 14.832 1.00 0.00 SBOX C ATOM 2292 N4 CYT A 78 49.018 26.973 15.786 1.00 0.00 SBOX N ATOM 2293 H41 CYT A 78 48.511 26.476 16.504 1.00 0.00 SBOX ATOM 2294 H42 CYT A 78 50.002 27.184 15.882 1.00 0.00 SBOX ATOM 2295 N3 CYT A 78 47.069 27.189 14.783 1.00 0.00 SBOX N ATOM 2296 C2 CYT A 78 46.329 27.749 13.815 1.00 0.00 SBOX C ATOM 2297 O2 CYT A 78 45.153 27.617 13.977 1.00 0.00 SBOX O ATOM 2298 C3' CYT A 78 45.987 31.869 12.226 1.00 0.00 SBOX C ATOM 2299 H3' CYT A 78 47.025 32.051 12.501 1.00 0.00 SBOX ATOM 2300 C2' CYT A 78 45.427 30.630 12.986 1.00 0.00 SBOX C ATOM 2301 H2'' CYT A 78 45.834 30.573 13.996 1.00 0.00 SBOX ATOM 2302 O2' CYT A 78 44.039 30.455 13.010 1.00 0.00 SBOX O ATOM 2303 H2' CYT A 78 43.619 31.139 13.536 1.00 0.00 SBOX ATOM 2304 O3' CYT A 78 45.245 33.093 12.418 1.00 0.00 SBOX O ATOM 2305 P GUA A 79 44.950 33.747 13.801 1.00 0.00 SBOX P ATOM 2306 O1P GUA A 79 46.176 33.638 14.591 1.00 0.00 SBOX ATOM 2307 O2P GUA A 79 44.335 35.090 13.723 1.00 0.00 SBOX ATOM 2308 O5' GUA A 79 43.832 32.807 14.439 1.00 0.00 SBOX O ATOM 2309 C5' GUA A 79 42.439 33.004 14.246 1.00 0.00 SBOX C ATOM 2310 H5' GUA A 79 42.207 32.731 13.216 1.00 0.00 SBOX ATOM 2311 H5'' GUA A 79 42.067 34.021 14.367 1.00 0.00 SBOX ATOM 2312 C4' GUA A 79 41.550 32.200 15.134 1.00 0.00 SBOX C ATOM 2313 H4' GUA A 79 40.509 32.299 14.829 1.00 0.00 SBOX ATOM 2314 O4' GUA A 79 42.083 30.805 15.184 1.00 0.00 SBOX O ATOM 2315 C1' GUA A 79 42.043 30.338 16.562 1.00 0.00 SBOX C ATOM 2316 H1' GUA A 79 41.585 29.349 16.546 1.00 0.00 SBOX ATOM 2317 N9 GUA A 79 43.333 30.067 17.220 1.00 0.00 SBOX N ATOM 2318 C8 GUA A 79 44.546 30.356 16.707 1.00 0.00 SBOX C ATOM 2319 H8 GUA A 79 44.625 30.919 15.789 1.00 0.00 SBOX ATOM 2320 N7 GUA A 79 45.604 29.924 17.262 1.00 0.00 SBOX N ATOM 2321 C5 GUA A 79 45.086 29.208 18.270 1.00 0.00 SBOX C ATOM 2322 C6 GUA A 79 45.758 28.380 19.271 1.00 0.00 SBOX C ATOM 2323 O6 GUA A 79 46.935 28.052 19.495 1.00 0.00 SBOX O ATOM 2324 N1 GUA A 79 44.899 28.004 20.220 1.00 0.00 SBOX N ATOM 2325 H1 GUA A 79 45.324 27.554 21.018 1.00 0.00 SBOX ATOM 2326 C2 GUA A 79 43.534 28.292 20.244 1.00 0.00 SBOX C ATOM 2327 N2 GUA A 79 42.847 27.645 21.164 1.00 0.00 SBOX N ATOM 2328 H21 GUA A 79 43.524 27.042 21.610 1.00 0.00 SBOX ATOM 2329 H22 GUA A 79 41.846 27.772 21.192 1.00 0.00 SBOX ATOM 2330 N3 GUA A 79 42.904 28.853 19.236 1.00 0.00 SBOX N ATOM 2331 C4 GUA A 79 43.716 29.363 18.312 1.00 0.00 SBOX C ATOM 2332 C3' GUA A 79 41.639 32.635 16.548 1.00 0.00 SBOX C ATOM 2333 H3' GUA A 79 42.682 32.852 16.779 1.00 0.00 SBOX ATOM 2334 C2' GUA A 79 41.200 31.365 17.291 1.00 0.00 SBOX C ATOM 2335 H2'' GUA A 79 41.458 31.313 18.349 1.00 0.00 SBOX ATOM 2336 O2' GUA A 79 39.814 30.992 17.248 1.00 0.00 SBOX O ATOM 2337 H2' GUA A 79 39.778 30.241 17.845 1.00 0.00 SBOX ATOM 2338 O3' GUA A 79 40.791 33.781 16.814 1.00 0.00 SBOX O ATOM 2339 P URA A 80 41.175 34.908 17.843 1.00 0.00 SBOX P ATOM 2340 O1P URA A 80 42.569 35.362 17.450 1.00 0.00 SBOX ATOM 2341 O2P URA A 80 40.044 35.865 18.075 1.00 0.00 SBOX ATOM 2342 O5' URA A 80 41.318 34.074 19.103 1.00 0.00 SBOX O ATOM 2343 C5' URA A 80 40.218 33.538 19.783 1.00 0.00 SBOX C ATOM 2344 H5' URA A 80 39.590 32.998 19.075 1.00 0.00 SBOX ATOM 2345 H5'' URA A 80 39.686 34.444 20.076 1.00 0.00 SBOX ATOM 2346 C4' URA A 80 40.618 32.652 20.990 1.00 0.00 SBOX C ATOM 2347 H4' URA A 80 39.698 32.277 21.439 1.00 0.00 SBOX ATOM 2348 O4' URA A 80 41.380 31.504 20.700 1.00 0.00 SBOX O ATOM 2349 C1' URA A 80 42.485 31.440 21.663 1.00 0.00 SBOX C ATOM 2350 H1' URA A 80 42.524 30.463 22.145 1.00 0.00 SBOX ATOM 2351 N1 URA A 80 43.863 31.526 21.063 1.00 0.00 SBOX N ATOM 2352 C6 URA A 80 44.119 32.200 19.896 1.00 0.00 SBOX C ATOM 2353 H6 URA A 80 43.340 32.568 19.245 1.00 0.00 SBOX ATOM 2354 C5 URA A 80 45.364 32.190 19.441 1.00 0.00 SBOX C ATOM 2355 H5 URA A 80 45.670 32.742 18.565 1.00 0.00 SBOX ATOM 2356 C4 URA A 80 46.504 31.676 20.153 1.00 0.00 SBOX C ATOM 2357 O4 URA A 80 47.686 31.664 19.839 1.00 0.00 SBOX O ATOM 2358 N3 URA A 80 46.168 30.984 21.291 1.00 0.00 SBOX N ATOM 2359 H3 URA A 80 46.945 30.534 21.752 1.00 0.00 SBOX ATOM 2360 C2 URA A 80 44.902 30.987 21.822 1.00 0.00 SBOX C ATOM 2361 O2 URA A 80 44.725 30.433 22.890 1.00 0.00 SBOX O ATOM 2362 C3' URA A 80 41.380 33.473 22.067 1.00 0.00 SBOX C ATOM 2363 H3' URA A 80 41.987 34.285 21.665 1.00 0.00 SBOX ATOM 2364 C2' URA A 80 42.228 32.426 22.812 1.00 0.00 SBOX C ATOM 2365 H2'' URA A 80 43.072 32.867 23.342 1.00 0.00 SBOX ATOM 2366 O2' URA A 80 41.493 31.616 23.713 1.00 0.00 SBOX O ATOM 2367 H2' URA A 80 41.431 32.045 24.570 1.00 0.00 SBOX ATOM 2368 O3' URA A 80 40.372 33.999 22.929 1.00 0.00 SBOX O ATOM 2369 P URA A 81 40.733 34.947 24.121 1.00 0.00 SBOX P ATOM 2370 O1P URA A 81 41.636 35.968 23.633 1.00 0.00 SBOX ATOM 2371 O2P URA A 81 39.498 35.335 24.795 1.00 0.00 SBOX ATOM 2372 O5' URA A 81 41.620 34.073 25.156 1.00 0.00 SBOX O ATOM 2373 C5' URA A 81 41.055 33.465 26.309 1.00 0.00 SBOX C ATOM 2374 H5' URA A 81 40.149 32.888 26.120 1.00 0.00 SBOX ATOM 2375 H5'' URA A 81 40.798 34.306 26.952 1.00 0.00 SBOX ATOM 2376 C4' URA A 81 42.116 32.599 27.005 1.00 0.00 SBOX C ATOM 2377 H4' URA A 81 41.698 31.901 27.730 1.00 0.00 SBOX ATOM 2378 O4' URA A 81 42.958 31.848 26.162 1.00 0.00 SBOX O ATOM 2379 C1' URA A 81 44.224 31.701 26.654 1.00 0.00 SBOX C ATOM 2380 H1' URA A 81 44.357 30.632 26.820 1.00 0.00 SBOX ATOM 2381 N1 URA A 81 45.342 32.076 25.794 1.00 0.00 SBOX N ATOM 2382 C6 URA A 81 45.262 33.100 24.864 1.00 0.00 SBOX C ATOM 2383 H6 URA A 81 44.323 33.631 24.921 1.00 0.00 SBOX ATOM 2384 C5 URA A 81 46.179 33.255 23.870 1.00 0.00 SBOX C ATOM 2385 H5 URA A 81 46.001 33.892 23.017 1.00 0.00 SBOX ATOM 2386 C4 URA A 81 47.454 32.520 23.926 1.00 0.00 SBOX C ATOM 2387 O4 URA A 81 48.432 32.572 23.154 1.00 0.00 SBOX O ATOM 2388 N3 URA A 81 47.565 31.705 24.997 1.00 0.00 SBOX N ATOM 2389 H3 URA A 81 48.485 31.325 25.167 1.00 0.00 SBOX ATOM 2390 C2 URA A 81 46.548 31.424 25.866 1.00 0.00 SBOX C ATOM 2391 O2 URA A 81 46.824 30.519 26.688 1.00 0.00 SBOX O ATOM 2392 C3' URA A 81 43.176 33.467 27.753 1.00 0.00 SBOX C ATOM 2393 H3' URA A 81 43.552 34.304 27.163 1.00 0.00 SBOX ATOM 2394 C2' URA A 81 44.254 32.428 28.006 1.00 0.00 SBOX C ATOM 2395 H2'' URA A 81 45.154 33.025 28.154 1.00 0.00 SBOX ATOM 2396 O2' URA A 81 43.979 31.551 29.155 1.00 0.00 SBOX O ATOM 2397 H2' URA A 81 43.839 32.034 29.973 1.00 0.00 SBOX ATOM 2398 O3' URA A 81 42.683 33.922 29.025 1.00 0.00 SBOX O ATOM 2399 P GUA A 82 43.341 35.035 29.894 1.00 0.00 SBOX P ATOM 2400 O1P GUA A 82 43.552 36.224 29.084 1.00 0.00 SBOX ATOM 2401 O2P GUA A 82 42.607 35.058 31.206 1.00 0.00 SBOX ATOM 2402 O5' GUA A 82 44.776 34.449 30.230 1.00 0.00 SBOX O ATOM 2403 C5' GUA A 82 45.066 33.573 31.373 1.00 0.00 SBOX C ATOM 2404 H5' GUA A 82 44.473 32.659 31.358 1.00 0.00 SBOX ATOM 2405 H5'' GUA A 82 44.900 34.034 32.346 1.00 0.00 SBOX ATOM 2406 C4' GUA A 82 46.550 33.213 31.282 1.00 0.00 SBOX C ATOM 2407 H4' GUA A 82 46.872 32.456 31.997 1.00 0.00 SBOX ATOM 2408 O4' GUA A 82 46.929 32.709 30.001 1.00 0.00 SBOX O ATOM 2409 C1' GUA A 82 48.301 32.784 29.834 1.00 0.00 SBOX C ATOM 2410 H1' GUA A 82 48.695 31.776 29.964 1.00 0.00 SBOX ATOM 2411 N9 GUA A 82 48.725 33.234 28.579 1.00 0.00 SBOX N ATOM 2412 C8 GUA A 82 48.017 33.848 27.571 1.00 0.00 SBOX C ATOM 2413 H8 GUA A 82 46.950 34.010 27.604 1.00 0.00 SBOX ATOM 2414 N7 GUA A 82 48.762 34.270 26.604 1.00 0.00 SBOX N ATOM 2415 C5 GUA A 82 50.022 33.737 26.865 1.00 0.00 SBOX C ATOM 2416 C6 GUA A 82 51.248 33.730 26.109 1.00 0.00 SBOX C ATOM 2417 O6 GUA A 82 51.585 34.289 25.075 1.00 0.00 SBOX O ATOM 2418 N1 GUA A 82 52.218 32.891 26.597 1.00 0.00 SBOX N ATOM 2419 H1 GUA A 82 53.087 32.928 26.083 1.00 0.00 SBOX ATOM 2420 C2 GUA A 82 52.081 32.291 27.819 1.00 0.00 SBOX C ATOM 2421 N2 GUA A 82 53.161 31.745 28.213 1.00 0.00 SBOX N ATOM 2422 H21 GUA A 82 54.027 31.914 27.722 1.00 0.00 SBOX ATOM 2423 H22 GUA A 82 53.207 31.142 29.022 1.00 0.00 SBOX ATOM 2424 N3 GUA A 82 50.973 32.284 28.566 1.00 0.00 SBOX N ATOM 2425 C4 GUA A 82 49.961 33.058 28.068 1.00 0.00 SBOX C ATOM 2426 C3' GUA A 82 47.534 34.321 31.559 1.00 0.00 SBOX C ATOM 2427 H3' GUA A 82 47.098 35.238 31.162 1.00 0.00 SBOX ATOM 2428 C2' GUA A 82 48.794 33.763 30.869 1.00 0.00 SBOX C ATOM 2429 H2'' GUA A 82 49.262 34.669 30.482 1.00 0.00 SBOX ATOM 2430 O2' GUA A 82 49.721 33.007 31.671 1.00 0.00 SBOX O ATOM 2431 H2' GUA A 82 50.338 33.610 32.094 1.00 0.00 SBOX ATOM 2432 O3' GUA A 82 47.635 34.400 32.996 1.00 0.00 SBOX O ATOM 2433 P ADE A 83 48.627 35.566 33.637 1.00 0.00 SBOX P ATOM 2434 O1P ADE A 83 48.412 36.822 32.900 1.00 0.00 SBOX ATOM 2435 O2P ADE A 83 48.299 35.569 35.104 1.00 0.00 SBOX ATOM 2436 O5' ADE A 83 50.176 35.074 33.503 1.00 0.00 SBOX O ATOM 2437 C5' ADE A 83 51.189 36.002 33.027 1.00 0.00 SBOX C ATOM 2438 H5' ADE A 83 51.507 36.623 33.865 1.00 0.00 SBOX ATOM 2439 H5'' ADE A 83 50.806 36.568 32.177 1.00 0.00 SBOX ATOM 2440 C4' ADE A 83 52.278 35.081 32.413 1.00 0.00 SBOX C ATOM 2441 H4' ADE A 83 52.334 34.295 33.167 1.00 0.00 SBOX ATOM 2442 O4' ADE A 83 51.893 34.533 31.164 1.00 0.00 SBOX O ATOM 2443 C1' ADE A 83 53.163 34.495 30.371 1.00 0.00 SBOX C ATOM 2444 H1' ADE A 83 53.343 33.448 30.125 1.00 0.00 SBOX ATOM 2445 N9 ADE A 83 53.036 35.257 29.141 1.00 0.00 SBOX N ATOM 2446 C8 ADE A 83 51.817 35.974 28.765 1.00 0.00 SBOX C ATOM 2447 H8 ADE A 83 51.020 36.076 29.487 1.00 0.00 SBOX ATOM 2448 N7 ADE A 83 51.850 36.441 27.594 1.00 0.00 SBOX N ATOM 2449 C5 ADE A 83 53.143 36.182 27.182 1.00 0.00 SBOX C ATOM 2450 C6 ADE A 83 53.879 36.420 25.963 1.00 0.00 SBOX C ATOM 2451 N6 ADE A 83 53.407 36.972 24.892 1.00 0.00 SBOX N ATOM 2452 H61 ADE A 83 54.022 37.004 24.092 1.00 0.00 SBOX ATOM 2453 H62 ADE A 83 52.434 37.239 24.843 1.00 0.00 SBOX ATOM 2454 N1 ADE A 83 55.040 35.946 25.742 1.00 0.00 SBOX N ATOM 2455 C2 ADE A 83 55.627 35.304 26.717 1.00 0.00 SBOX C ATOM 2456 H2 ADE A 83 56.578 34.891 26.415 1.00 0.00 SBOX ATOM 2457 N3 ADE A 83 55.190 35.079 27.953 1.00 0.00 SBOX N ATOM 2458 C4 ADE A 83 53.922 35.516 28.127 1.00 0.00 SBOX C ATOM 2459 C3' ADE A 83 53.610 35.749 32.221 1.00 0.00 SBOX C ATOM 2460 H3' ADE A 83 53.200 36.708 31.905 1.00 0.00 SBOX ATOM 2461 C2' ADE A 83 54.353 34.977 31.139 1.00 0.00 SBOX C ATOM 2462 H2'' ADE A 83 55.039 35.667 30.649 1.00 0.00 SBOX ATOM 2463 O2' ADE A 83 55.163 33.844 31.623 1.00 0.00 SBOX O ATOM 2464 H2' ADE A 83 55.509 33.285 30.923 1.00 0.00 SBOX ATOM 2465 O3' ADE A 83 54.366 35.716 33.437 1.00 0.00 SBOX O ATOM 2466 P ADE A 84 55.295 36.954 33.771 1.00 0.00 SBOX P ATOM 2467 O1P ADE A 84 54.473 38.213 33.633 1.00 0.00 SBOX ATOM 2468 O2P ADE A 84 56.070 36.728 34.966 1.00 0.00 SBOX ATOM 2469 O5' ADE A 84 56.433 37.101 32.683 1.00 0.00 SBOX O ATOM 2470 C5' ADE A 84 57.458 36.205 32.598 1.00 0.00 SBOX C ATOM 2471 H5' ADE A 84 57.039 35.200 32.643 1.00 0.00 SBOX ATOM 2472 H5'' ADE A 84 58.209 36.282 33.384 1.00 0.00 SBOX ATOM 2473 C4' ADE A 84 58.240 36.406 31.286 1.00 0.00 SBOX C ATOM 2474 H4' ADE A 84 59.114 35.755 31.261 1.00 0.00 SBOX ATOM 2475 O4' ADE A 84 57.477 36.047 30.151 1.00 0.00 SBOX O ATOM 2476 C1' ADE A 84 57.721 37.096 29.171 1.00 0.00 SBOX C ATOM 2477 H1' ADE A 84 57.935 36.771 28.153 1.00 0.00 SBOX ATOM 2478 N9 ADE A 84 56.458 37.940 28.977 1.00 0.00 SBOX N ATOM 2479 C8 ADE A 84 55.428 38.170 29.819 1.00 0.00 SBOX C ATOM 2480 H8 ADE A 84 55.314 37.663 30.766 1.00 0.00 SBOX ATOM 2481 N7 ADE A 84 54.463 38.845 29.281 1.00 0.00 SBOX N ATOM 2482 C5 ADE A 84 55.015 39.147 28.029 1.00 0.00 SBOX C ATOM 2483 C6 ADE A 84 54.536 39.805 26.913 1.00 0.00 SBOX C ATOM 2484 N6 ADE A 84 53.418 40.399 26.740 1.00 0.00 SBOX N ATOM 2485 H61 ADE A 84 53.260 40.790 25.822 1.00 0.00 SBOX ATOM 2486 H62 ADE A 84 52.727 40.452 27.474 1.00 0.00 SBOX ATOM 2487 N1 ADE A 84 55.167 39.919 25.769 1.00 0.00 SBOX N ATOM 2488 C2 ADE A 84 56.357 39.285 25.660 1.00 0.00 SBOX C ATOM 2489 H2 ADE A 84 56.956 39.358 24.764 1.00 0.00 SBOX ATOM 2490 N3 ADE A 84 56.996 38.605 26.669 1.00 0.00 SBOX N ATOM 2491 C4 ADE A 84 56.206 38.587 27.832 1.00 0.00 SBOX C ATOM 2492 C3' ADE A 84 58.816 37.825 31.153 1.00 0.00 SBOX C ATOM 2493 H3' ADE A 84 58.022 38.528 31.403 1.00 0.00 SBOX ATOM 2494 C2' ADE A 84 58.967 37.876 29.628 1.00 0.00 SBOX C ATOM 2495 H2'' ADE A 84 59.001 38.899 29.255 1.00 0.00 SBOX ATOM 2496 O2' ADE A 84 60.096 37.163 29.086 1.00 0.00 SBOX O ATOM 2497 H2' ADE A 84 60.081 37.277 28.133 1.00 0.00 SBOX ATOM 2498 O3' ADE A 84 60.005 38.050 31.857 1.00 0.00 SBOX O ATOM 2499 P ADE A 85 60.455 39.607 32.190 1.00 0.00 SBOX P ATOM 2500 O1P ADE A 85 59.377 40.113 33.048 1.00 0.00 SBOX ATOM 2501 O2P ADE A 85 61.779 39.588 32.789 1.00 0.00 SBOX ATOM 2502 O5' ADE A 85 60.514 40.443 30.898 1.00 0.00 SBOX O ATOM 2503 C5' ADE A 85 61.555 40.211 29.927 1.00 0.00 SBOX C ATOM 2504 H5' ADE A 85 61.620 39.173 29.599 1.00 0.00 SBOX ATOM 2505 H5'' ADE A 85 62.503 40.505 30.377 1.00 0.00 SBOX ATOM 2506 C4' ADE A 85 61.395 41.004 28.673 1.00 0.00 SBOX C ATOM 2507 H4' ADE A 85 62.276 40.979 28.031 1.00 0.00 SBOX ATOM 2508 O4' ADE A 85 60.288 40.461 27.945 1.00 0.00 SBOX O ATOM 2509 C1' ADE A 85 59.479 41.563 27.477 1.00 0.00 SBOX C ATOM 2510 H1' ADE A 85 59.263 41.397 26.422 1.00 0.00 SBOX ATOM 2511 N9 ADE A 85 58.214 41.777 28.220 1.00 0.00 SBOX N ATOM 2512 C8 ADE A 85 57.944 41.580 29.526 1.00 0.00 SBOX C ATOM 2513 H8 ADE A 85 58.598 41.090 30.232 1.00 0.00 SBOX ATOM 2514 N7 ADE A 85 56.729 41.949 29.840 1.00 0.00 SBOX N ATOM 2515 C5 ADE A 85 56.194 42.539 28.727 1.00 0.00 SBOX C ATOM 2516 C6 ADE A 85 54.908 43.080 28.285 1.00 0.00 SBOX C ATOM 2517 N6 ADE A 85 53.774 43.224 28.936 1.00 0.00 SBOX N ATOM 2518 H61 ADE A 85 53.068 43.670 28.367 1.00 0.00 SBOX ATOM 2519 H62 ADE A 85 53.490 42.650 29.717 1.00 0.00 SBOX ATOM 2520 N1 ADE A 85 54.756 43.517 27.031 1.00 0.00 SBOX N ATOM 2521 C2 ADE A 85 55.779 43.371 26.199 1.00 0.00 SBOX C ATOM 2522 H2 ADE A 85 55.714 43.664 25.162 1.00 0.00 SBOX ATOM 2523 N3 ADE A 85 56.920 42.784 26.424 1.00 0.00 SBOX N ATOM 2524 C4 ADE A 85 57.101 42.366 27.685 1.00 0.00 SBOX C ATOM 2525 C3' ADE A 85 61.045 42.463 28.885 1.00 0.00 SBOX C ATOM 2526 H3' ADE A 85 60.382 42.553 29.745 1.00 0.00 SBOX ATOM 2527 C2' ADE A 85 60.367 42.794 27.555 1.00 0.00 SBOX C ATOM 2528 H2'' ADE A 85 59.820 43.724 27.712 1.00 0.00 SBOX ATOM 2529 O2' ADE A 85 61.273 42.950 26.503 1.00 0.00 SBOX O ATOM 2530 H2' ADE A 85 60.828 43.333 25.744 1.00 0.00 SBOX ATOM 2531 O3' ADE A 85 62.290 43.106 29.119 1.00 0.00 SBOX O ATOM 2532 P GUA A 86 62.303 44.472 30.022 1.00 0.00 SBOX P ATOM 2533 O1P GUA A 86 61.611 44.223 31.250 1.00 0.00 SBOX ATOM 2534 O2P GUA A 86 63.670 45.087 30.041 1.00 0.00 SBOX ATOM 2535 O5' GUA A 86 61.411 45.447 29.138 1.00 0.00 SBOX O ATOM 2536 C5' GUA A 86 61.770 45.981 27.889 1.00 0.00 SBOX C ATOM 2537 H5' GUA A 86 62.073 45.249 27.140 1.00 0.00 SBOX ATOM 2538 H5'' GUA A 86 62.597 46.671 28.054 1.00 0.00 SBOX ATOM 2539 C4' GUA A 86 60.561 46.764 27.213 1.00 0.00 SBOX C ATOM 2540 H4' GUA A 86 60.912 47.228 26.291 1.00 0.00 SBOX ATOM 2541 O4' GUA A 86 59.416 46.033 26.788 1.00 0.00 SBOX O ATOM 2542 C1' GUA A 86 58.238 46.853 26.800 1.00 0.00 SBOX C ATOM 2543 H1' GUA A 86 57.643 46.828 25.887 1.00 0.00 SBOX ATOM 2544 N9 GUA A 86 57.318 46.343 27.844 1.00 0.00 SBOX N ATOM 2545 C8 GUA A 86 57.616 45.638 28.961 1.00 0.00 SBOX C ATOM 2546 H8 GUA A 86 58.594 45.183 29.021 1.00 0.00 SBOX ATOM 2547 N7 GUA A 86 56.679 45.594 29.879 1.00 0.00 SBOX N ATOM 2548 C5 GUA A 86 55.729 46.420 29.428 1.00 0.00 SBOX C ATOM 2549 C6 GUA A 86 54.468 46.717 29.929 1.00 0.00 SBOX C ATOM 2550 O6 GUA A 86 53.979 46.407 31.002 1.00 0.00 SBOX O ATOM 2551 N1 GUA A 86 53.648 47.325 28.996 1.00 0.00 SBOX N ATOM 2552 H1 GUA A 86 52.680 47.392 29.279 1.00 0.00 SBOX ATOM 2553 C2 GUA A 86 54.061 47.826 27.853 1.00 0.00 SBOX C ATOM 2554 N2 GUA A 86 53.231 48.639 27.239 1.00 0.00 SBOX N ATOM 2555 H21 GUA A 86 52.375 48.877 27.718 1.00 0.00 SBOX ATOM 2556 H22 GUA A 86 53.574 49.253 26.514 1.00 0.00 SBOX ATOM 2557 N3 GUA A 86 55.249 47.649 27.303 1.00 0.00 SBOX N ATOM 2558 C4 GUA A 86 56.037 46.847 28.124 1.00 0.00 SBOX C ATOM 2559 C3' GUA A 86 59.938 47.879 28.045 1.00 0.00 SBOX C ATOM 2560 H3' GUA A 86 59.630 47.488 29.015 1.00 0.00 SBOX ATOM 2561 C2' GUA A 86 58.780 48.251 27.062 1.00 0.00 SBOX C ATOM 2562 H2'' GUA A 86 57.998 48.854 27.523 1.00 0.00 SBOX ATOM 2563 O2' GUA A 86 59.058 48.780 25.881 1.00 0.00 SBOX O ATOM 2564 H2' GUA A 86 58.252 48.720 25.364 1.00 0.00 SBOX ATOM 2565 O3' GUA A 86 60.890 48.924 28.288 1.00 0.00 SBOX O ATOM 2566 P ADE A 87 60.648 50.188 29.148 1.00 0.00 SBOX P ATOM 2567 O1P ADE A 87 60.412 49.783 30.586 1.00 0.00 SBOX ATOM 2568 O2P ADE A 87 61.680 51.208 28.955 1.00 0.00 SBOX ATOM 2569 O5' ADE A 87 59.251 50.724 28.664 1.00 0.00 SBOX O ATOM 2570 C5' ADE A 87 59.092 51.545 27.497 1.00 0.00 SBOX C ATOM 2571 H5' ADE A 87 59.341 51.032 26.568 1.00 0.00 SBOX ATOM 2572 H5'' ADE A 87 59.717 52.434 27.583 1.00 0.00 SBOX ATOM 2573 C4' ADE A 87 57.657 52.103 27.323 1.00 0.00 SBOX C ATOM 2574 H4' ADE A 87 57.690 52.690 26.405 1.00 0.00 SBOX ATOM 2575 O4' ADE A 87 56.764 51.001 27.328 1.00 0.00 SBOX O ATOM 2576 C1' ADE A 87 55.573 51.375 27.983 1.00 0.00 SBOX C ATOM 2577 H1' ADE A 87 54.707 51.226 27.337 1.00 0.00 SBOX ATOM 2578 N9 ADE A 87 55.390 50.554 29.251 1.00 0.00 SBOX N ATOM 2579 C8 ADE A 87 56.318 49.745 29.946 1.00 0.00 SBOX C ATOM 2580 H8 ADE A 87 57.358 49.543 29.738 1.00 0.00 SBOX ATOM 2581 N7 ADE A 87 55.806 49.223 31.044 1.00 0.00 SBOX N ATOM 2582 C5 ADE A 87 54.474 49.654 31.023 1.00 0.00 SBOX C ATOM 2583 C6 ADE A 87 53.318 49.592 31.900 1.00 0.00 SBOX C ATOM 2584 N6 ADE A 87 53.067 48.855 32.961 1.00 0.00 SBOX N ATOM 2585 H61 ADE A 87 52.106 48.877 33.273 1.00 0.00 SBOX ATOM 2586 H62 ADE A 87 53.785 48.235 33.306 1.00 0.00 SBOX ATOM 2587 N1 ADE A 87 52.147 50.224 31.550 1.00 0.00 SBOX N ATOM 2588 C2 ADE A 87 52.102 50.935 30.427 1.00 0.00 SBOX C ATOM 2589 H2 ADE A 87 51.164 51.320 30.055 1.00 0.00 SBOX ATOM 2590 N3 ADE A 87 53.092 51.135 29.564 1.00 0.00 SBOX N ATOM 2591 C4 ADE A 87 54.217 50.472 29.929 1.00 0.00 SBOX C ATOM 2592 C3' ADE A 87 57.245 52.961 28.497 1.00 0.00 SBOX C ATOM 2593 H3' ADE A 87 57.592 52.367 29.343 1.00 0.00 SBOX ATOM 2594 C2' ADE A 87 55.773 52.860 28.235 1.00 0.00 SBOX C ATOM 2595 H2'' ADE A 87 55.294 53.186 29.158 1.00 0.00 SBOX ATOM 2596 O2' ADE A 87 55.251 53.592 27.066 1.00 0.00 SBOX O ATOM 2597 H2' ADE A 87 54.312 53.514 27.253 1.00 0.00 SBOX ATOM 2598 O3' ADE A 87 57.911 54.163 28.471 1.00 0.00 SBOX O ATOM 2599 P URA A 88 58.384 54.948 29.741 1.00 0.00 SBOX P ATOM 2600 O1P URA A 88 58.884 53.948 30.737 1.00 0.00 SBOX ATOM 2601 O2P URA A 88 59.186 56.147 29.383 1.00 0.00 SBOX ATOM 2602 O5' URA A 88 56.932 55.361 30.263 1.00 0.00 SBOX O ATOM 2603 C5' URA A 88 55.988 56.200 29.571 1.00 0.00 SBOX C ATOM 2604 H5' URA A 88 55.644 55.901 28.581 1.00 0.00 SBOX ATOM 2605 H5'' URA A 88 56.354 57.207 29.374 1.00 0.00 SBOX ATOM 2606 C4' URA A 88 54.687 56.247 30.366 1.00 0.00 SBOX C ATOM 2607 H4' URA A 88 54.070 57.080 30.031 1.00 0.00 SBOX ATOM 2608 O4' URA A 88 53.857 55.042 30.402 1.00 0.00 SBOX O ATOM 2609 C1' URA A 88 53.292 54.921 31.695 1.00 0.00 SBOX C ATOM 2610 H1' URA A 88 52.218 54.739 31.644 1.00 0.00 SBOX ATOM 2611 N1 URA A 88 53.860 53.706 32.390 1.00 0.00 SBOX N ATOM 2612 C6 URA A 88 55.093 53.198 32.053 1.00 0.00 SBOX C ATOM 2613 H6 URA A 88 55.627 53.736 31.284 1.00 0.00 SBOX ATOM 2614 C5 URA A 88 55.625 52.115 32.695 1.00 0.00 SBOX C ATOM 2615 H5 URA A 88 56.629 51.792 32.459 1.00 0.00 SBOX ATOM 2616 C4 URA A 88 55.007 51.574 33.896 1.00 0.00 SBOX C ATOM 2617 O4 URA A 88 55.343 50.601 34.514 1.00 0.00 SBOX O ATOM 2618 N3 URA A 88 53.820 52.189 34.272 1.00 0.00 SBOX N ATOM 2619 H3 URA A 88 53.151 51.681 34.834 1.00 0.00 SBOX ATOM 2620 C2 URA A 88 53.273 53.240 33.564 1.00 0.00 SBOX C ATOM 2621 O2 URA A 88 52.160 53.567 33.859 1.00 0.00 SBOX O ATOM 2622 C3' URA A 88 54.917 56.600 31.824 1.00 0.00 SBOX C ATOM 2623 H3' URA A 88 55.614 55.880 32.253 1.00 0.00 SBOX ATOM 2624 C2' URA A 88 53.499 56.239 32.380 1.00 0.00 SBOX C ATOM 2625 H2'' URA A 88 53.540 56.117 33.462 1.00 0.00 SBOX ATOM 2626 O2' URA A 88 52.600 57.238 31.992 1.00 0.00 SBOX O ATOM 2627 H2' URA A 88 52.683 57.976 32.601 1.00 0.00 SBOX ATOM 2628 O3' URA A 88 55.243 57.906 32.138 1.00 0.00 SBOX O ATOM 2629 P GUA A 89 55.965 58.256 33.515 1.00 0.00 SBOX P ATOM 2630 O1P GUA A 89 56.851 57.154 34.019 1.00 0.00 SBOX ATOM 2631 O2P GUA A 89 56.378 59.648 33.644 1.00 0.00 SBOX ATOM 2632 O5' GUA A 89 54.747 58.152 34.484 1.00 0.00 SBOX O ATOM 2633 C5' GUA A 89 53.659 59.085 34.452 1.00 0.00 SBOX C ATOM 2634 H5' GUA A 89 53.180 59.104 33.473 1.00 0.00 SBOX ATOM 2635 H5'' GUA A 89 53.881 60.113 34.737 1.00 0.00 SBOX ATOM 2636 C4' GUA A 89 52.591 58.718 35.402 1.00 0.00 SBOX C ATOM 2637 H4' GUA A 89 51.727 59.382 35.374 1.00 0.00 SBOX ATOM 2638 O4' GUA A 89 52.170 57.396 35.180 1.00 0.00 SBOX O ATOM 2639 C1' GUA A 89 52.082 56.771 36.411 1.00 0.00 SBOX C ATOM 2640 H1' GUA A 89 51.045 56.453 36.514 1.00 0.00 SBOX ATOM 2641 N9 GUA A 89 52.994 55.655 36.592 1.00 0.00 SBOX N ATOM 2642 C8 GUA A 89 54.180 55.440 35.919 1.00 0.00 SBOX C ATOM 2643 H8 GUA A 89 54.550 56.069 35.123 1.00 0.00 SBOX ATOM 2644 N7 GUA A 89 54.709 54.277 36.178 1.00 0.00 SBOX N ATOM 2645 C5 GUA A 89 53.944 53.783 37.297 1.00 0.00 SBOX C ATOM 2646 C6 GUA A 89 54.102 52.603 38.147 1.00 0.00 SBOX C ATOM 2647 O6 GUA A 89 54.981 51.709 38.029 1.00 0.00 SBOX O ATOM 2648 N1 GUA A 89 53.068 52.495 39.043 1.00 0.00 SBOX N ATOM 2649 H1 GUA A 89 53.065 51.699 39.665 1.00 0.00 SBOX ATOM 2650 C2 GUA A 89 52.157 53.483 39.314 1.00 0.00 SBOX C ATOM 2651 N2 GUA A 89 51.125 53.114 39.975 1.00 0.00 SBOX N ATOM 2652 H21 GUA A 89 51.046 52.218 40.434 1.00 0.00 SBOX ATOM 2653 H22 GUA A 89 50.304 53.696 40.058 1.00 0.00 SBOX ATOM 2654 N3 GUA A 89 51.957 54.555 38.528 1.00 0.00 SBOX N ATOM 2655 C4 GUA A 89 52.891 54.665 37.511 1.00 0.00 SBOX C ATOM 2656 C3' GUA A 89 53.186 58.827 36.874 1.00 0.00 SBOX C ATOM 2657 H3' GUA A 89 54.238 58.540 36.888 1.00 0.00 SBOX ATOM 2658 C2' GUA A 89 52.249 57.840 37.499 1.00 0.00 SBOX C ATOM 2659 H2'' GUA A 89 52.692 57.461 38.419 1.00 0.00 SBOX ATOM 2660 O2' GUA A 89 50.961 58.305 37.714 1.00 0.00 SBOX O ATOM 2661 H2' GUA A 89 51.002 59.264 37.735 1.00 0.00 SBOX ATOM 2662 O3' GUA A 89 53.054 60.130 37.445 1.00 0.00 SBOX O ATOM 2663 P ADE A 90 53.970 60.648 38.615 1.00 0.00 SBOX P ATOM 2664 O1P ADE A 90 55.395 60.570 38.293 1.00 0.00 SBOX ATOM 2665 O2P ADE A 90 53.412 61.959 38.941 1.00 0.00 SBOX ATOM 2666 O5' ADE A 90 53.682 59.658 39.847 1.00 0.00 SBOX O ATOM 2667 C5' ADE A 90 52.450 59.668 40.590 1.00 0.00 SBOX C ATOM 2668 H5' ADE A 90 51.541 59.736 39.993 1.00 0.00 SBOX ATOM 2669 H5'' ADE A 90 52.399 60.592 41.166 1.00 0.00 SBOX ATOM 2670 C4' ADE A 90 52.461 58.554 41.588 1.00 0.00 SBOX C ATOM 2671 H4' ADE A 90 51.618 58.565 42.279 1.00 0.00 SBOX ATOM 2672 O4' ADE A 90 52.524 57.265 40.973 1.00 0.00 SBOX O ATOM 2673 C1' ADE A 90 53.361 56.387 41.733 1.00 0.00 SBOX C ATOM 2674 H1' ADE A 90 52.769 55.518 42.021 1.00 0.00 SBOX ATOM 2675 N9 ADE A 90 54.534 55.976 40.943 1.00 0.00 SBOX N ATOM 2676 C8 ADE A 90 55.057 56.527 39.788 1.00 0.00 SBOX C ATOM 2677 H8 ADE A 90 54.806 57.434 39.259 1.00 0.00 SBOX ATOM 2678 N7 ADE A 90 55.887 55.712 39.185 1.00 0.00 SBOX N ATOM 2679 C5 ADE A 90 55.967 54.602 40.043 1.00 0.00 SBOX C ATOM 2680 C6 ADE A 90 56.649 53.342 40.020 1.00 0.00 SBOX C ATOM 2681 N6 ADE A 90 57.561 52.963 39.199 1.00 0.00 SBOX N ATOM 2682 H61 ADE A 90 58.114 52.168 39.485 1.00 0.00 SBOX ATOM 2683 H62 ADE A 90 57.773 53.387 38.307 1.00 0.00 SBOX ATOM 2684 N1 ADE A 90 56.556 52.532 41.057 1.00 0.00 SBOX N ATOM 2685 C2 ADE A 90 55.735 52.850 41.998 1.00 0.00 SBOX C ATOM 2686 H2 ADE A 90 55.641 52.092 42.762 1.00 0.00 SBOX ATOM 2687 N3 ADE A 90 54.974 53.900 42.112 1.00 0.00 SBOX N ATOM 2688 C4 ADE A 90 55.111 54.769 41.108 1.00 0.00 SBOX C ATOM 2689 C3' ADE A 90 53.687 58.493 42.529 1.00 0.00 SBOX C ATOM 2690 H3' ADE A 90 54.593 58.715 41.965 1.00 0.00 SBOX ATOM 2691 C2' ADE A 90 53.776 57.062 43.021 1.00 0.00 SBOX C ATOM 2692 H2'' ADE A 90 54.813 56.813 43.244 1.00 0.00 SBOX ATOM 2693 O2' ADE A 90 52.757 56.709 44.004 1.00 0.00 SBOX O ATOM 2694 H2' ADE A 90 52.675 57.491 44.556 1.00 0.00 SBOX ATOM 2695 O3' ADE A 90 53.443 59.404 43.543 1.00 0.00 SBOX O ATOM 2696 P GUA A 91 54.688 60.083 44.321 1.00 0.00 SBOX P ATOM 2697 O1P GUA A 91 55.674 60.399 43.299 1.00 0.00 SBOX ATOM 2698 O2P GUA A 91 54.154 61.137 45.182 1.00 0.00 SBOX ATOM 2699 O5' GUA A 91 55.245 59.007 45.274 1.00 0.00 SBOX O ATOM 2700 C5' GUA A 91 54.513 58.596 46.471 1.00 0.00 SBOX C ATOM 2701 H5' GUA A 91 53.458 58.513 46.208 1.00 0.00 SBOX ATOM 2702 H5'' GUA A 91 54.705 59.299 47.282 1.00 0.00 SBOX ATOM 2703 C4' GUA A 91 55.110 57.247 47.047 1.00 0.00 SBOX C ATOM 2704 H4' GUA A 91 54.595 57.042 47.986 1.00 0.00 SBOX ATOM 2705 O4' GUA A 91 54.945 56.240 46.111 1.00 0.00 SBOX O ATOM 2706 C1' GUA A 91 56.023 55.334 46.203 1.00 0.00 SBOX C ATOM 2707 H1' GUA A 91 55.762 54.286 46.354 1.00 0.00 SBOX ATOM 2708 N9 GUA A 91 56.874 55.370 45.003 1.00 0.00 SBOX N ATOM 2709 C8 GUA A 91 57.113 56.372 44.129 1.00 0.00 SBOX C ATOM 2710 H8 GUA A 91 56.669 57.351 44.226 1.00 0.00 SBOX ATOM 2711 N7 GUA A 91 57.921 56.125 43.169 1.00 0.00 SBOX N ATOM 2712 C5 GUA A 91 58.346 54.817 43.423 1.00 0.00 SBOX C ATOM 2713 C6 GUA A 91 59.097 53.862 42.708 1.00 0.00 SBOX C ATOM 2714 O6 GUA A 91 59.783 53.858 41.640 1.00 0.00 SBOX O ATOM 2715 N1 GUA A 91 59.153 52.659 43.286 1.00 0.00 SBOX N ATOM 2716 H1 GUA A 91 59.823 52.092 42.788 1.00 0.00 SBOX ATOM 2717 C2 GUA A 91 58.543 52.263 44.393 1.00 0.00 SBOX C ATOM 2718 N2 GUA A 91 58.920 51.147 44.944 1.00 0.00 SBOX N ATOM 2719 H21 GUA A 91 59.500 50.506 44.422 1.00 0.00 SBOX ATOM 2720 H22 GUA A 91 58.807 51.029 45.941 1.00 0.00 SBOX ATOM 2721 N3 GUA A 91 57.834 53.147 45.156 1.00 0.00 SBOX N ATOM 2722 C4 GUA A 91 57.759 54.387 44.598 1.00 0.00 SBOX C ATOM 2723 C3' GUA A 91 56.544 57.420 47.511 1.00 0.00 SBOX C ATOM 2724 H3' GUA A 91 57.028 57.958 46.696 1.00 0.00 SBOX ATOM 2725 C2' GUA A 91 56.801 55.929 47.474 1.00 0.00 SBOX C ATOM 2726 H2'' GUA A 91 57.869 55.740 47.365 1.00 0.00 SBOX ATOM 2727 O2' GUA A 91 56.381 55.212 48.654 1.00 0.00 SBOX O ATOM 2728 H2' GUA A 91 56.697 54.307 48.699 1.00 0.00 SBOX ATOM 2729 O3' GUA A 91 56.813 57.948 48.757 1.00 0.00 SBOX O ATOM 2730 P CYT A 92 58.307 58.139 49.293 1.00 0.00 SBOX P ATOM 2731 O1P CYT A 92 59.098 58.827 48.250 1.00 0.00 SBOX ATOM 2732 O2P CYT A 92 58.232 58.701 50.669 1.00 0.00 SBOX ATOM 2733 O5' CYT A 92 58.919 56.696 49.538 1.00 0.00 SBOX O ATOM 2734 C5' CYT A 92 60.269 56.484 49.109 1.00 0.00 SBOX C ATOM 2735 H5' CYT A 92 61.097 56.930 49.661 1.00 0.00 SBOX ATOM 2736 H5'' CYT A 92 60.363 56.823 48.078 1.00 0.00 SBOX ATOM 2737 C4' CYT A 92 60.624 54.984 48.928 1.00 0.00 SBOX C ATOM 2738 H4' CYT A 92 60.230 54.466 49.803 1.00 0.00 SBOX ATOM 2739 O4' CYT A 92 60.093 54.521 47.686 1.00 0.00 SBOX O ATOM 2740 C1' CYT A 92 60.924 53.568 47.045 1.00 0.00 SBOX C ATOM 2741 H1' CYT A 92 60.379 52.653 46.813 1.00 0.00 SBOX ATOM 2742 N1 CYT A 92 61.348 54.141 45.704 1.00 0.00 SBOX N ATOM 2743 C6 CYT A 92 61.333 55.435 45.349 1.00 0.00 SBOX C ATOM 2744 H6 CYT A 92 60.937 56.244 45.945 1.00 0.00 SBOX ATOM 2745 C5 CYT A 92 61.747 55.815 44.160 1.00 0.00 SBOX C ATOM 2746 H5 CYT A 92 61.672 56.847 43.851 1.00 0.00 SBOX ATOM 2747 C4 CYT A 92 62.389 54.868 43.315 1.00 0.00 SBOX C ATOM 2748 N4 CYT A 92 62.661 55.228 42.095 1.00 0.00 SBOX N ATOM 2749 H41 CYT A 92 63.134 54.596 41.465 1.00 0.00 SBOX ATOM 2750 H42 CYT A 92 62.191 56.017 41.675 1.00 0.00 SBOX ATOM 2751 N3 CYT A 92 62.538 53.601 43.644 1.00 0.00 SBOX N ATOM 2752 C2 CYT A 92 61.970 53.254 44.830 1.00 0.00 SBOX C ATOM 2753 O2 CYT A 92 62.166 52.099 45.202 1.00 0.00 SBOX O ATOM 2754 C3' CYT A 92 62.063 54.696 48.813 1.00 0.00 SBOX C ATOM 2755 H3' CYT A 92 62.385 55.530 48.188 1.00 0.00 SBOX ATOM 2756 C2' CYT A 92 62.050 53.368 48.047 1.00 0.00 SBOX C ATOM 2757 H2'' CYT A 92 63.004 53.204 47.546 1.00 0.00 SBOX ATOM 2758 O2' CYT A 92 61.713 52.248 48.809 1.00 0.00 SBOX O ATOM 2759 H2' CYT A 92 61.744 51.405 48.351 1.00 0.00 SBOX ATOM 2760 O3' CYT A 92 62.718 54.674 49.984 1.00 0.00 SBOX O ATOM 2761 P CYT A 93 64.328 54.772 49.964 1.00 0.00 SBOX P ATOM 2762 O1P CYT A 93 64.546 56.035 49.227 1.00 0.00 SBOX ATOM 2763 O2P CYT A 93 64.725 54.745 51.368 1.00 0.00 SBOX ATOM 2764 O5' CYT A 93 65.133 53.643 49.285 1.00 0.00 SBOX O ATOM 2765 C5' CYT A 93 64.956 52.308 49.814 1.00 0.00 SBOX C ATOM 2766 H5' CYT A 93 63.887 52.115 49.728 1.00 0.00 SBOX ATOM 2767 H5'' CYT A 93 65.274 52.274 50.856 1.00 0.00 SBOX ATOM 2768 C4' CYT A 93 65.788 51.375 48.922 1.00 0.00 SBOX C ATOM 2769 H4' CYT A 93 65.918 50.425 49.441 1.00 0.00 SBOX ATOM 2770 O4' CYT A 93 65.160 51.125 47.633 1.00 0.00 SBOX O ATOM 2771 C1' CYT A 93 66.195 50.964 46.666 1.00 0.00 SBOX C ATOM 2772 H1' CYT A 93 66.045 50.029 46.127 1.00 0.00 SBOX ATOM 2773 N1 CYT A 93 66.100 52.060 45.630 1.00 0.00 SBOX N ATOM 2774 C6 CYT A 93 65.504 53.249 45.958 1.00 0.00 SBOX C ATOM 2775 H6 CYT A 93 65.060 53.415 46.928 1.00 0.00 SBOX ATOM 2776 C5 CYT A 93 65.491 54.166 44.980 1.00 0.00 SBOX C ATOM 2777 H5 CYT A 93 65.147 55.152 45.254 1.00 0.00 SBOX ATOM 2778 C4 CYT A 93 66.157 53.886 43.779 1.00 0.00 SBOX C ATOM 2779 N4 CYT A 93 66.261 54.847 43.008 1.00 0.00 SBOX N ATOM 2780 H41 CYT A 93 66.815 54.668 42.183 1.00 0.00 SBOX ATOM 2781 H42 CYT A 93 65.709 55.674 43.190 1.00 0.00 SBOX ATOM 2782 N3 CYT A 93 66.862 52.834 43.522 1.00 0.00 SBOX N ATOM 2783 C2 CYT A 93 66.805 51.895 44.472 1.00 0.00 SBOX C ATOM 2784 O2 CYT A 93 67.326 50.804 44.145 1.00 0.00 SBOX O ATOM 2785 C3' CYT A 93 67.219 51.807 48.578 1.00 0.00 SBOX C ATOM 2786 H3' CYT A 93 67.314 52.851 48.281 1.00 0.00 SBOX ATOM 2787 C2' CYT A 93 67.539 50.939 47.368 1.00 0.00 SBOX C ATOM 2788 H2'' CYT A 93 68.324 51.415 46.780 1.00 0.00 SBOX ATOM 2789 O2' CYT A 93 67.867 49.591 47.645 1.00 0.00 SBOX O ATOM 2790 H2' CYT A 93 68.173 49.256 46.799 1.00 0.00 SBOX ATOM 2791 O3' CYT A 93 68.140 51.615 49.681 1.00 0.00 SBOX O ATOM 2792 O3' ADE A 94 73.994 52.314 47.217 1.00 0.00 SBOX O ATOM 2793 H3T ADE A 94 74.562 51.992 46.513 1.00 0.00 SBOX ATOM 2794 P ADE A 94 69.248 52.659 49.940 1.00 0.00 SBOX P ATOM 2795 O1P ADE A 94 68.613 54.022 50.104 1.00 0.00 SBOX ATOM 2796 O2P ADE A 94 70.002 52.103 51.079 1.00 0.00 SBOX ATOM 2797 O5' ADE A 94 70.244 52.537 48.650 1.00 0.00 SBOX O ATOM 2798 C5' ADE A 94 71.145 51.454 48.444 1.00 0.00 SBOX C ATOM 2799 H5' ADE A 94 70.545 50.553 48.571 1.00 0.00 SBOX ATOM 2800 H5'' ADE A 94 71.896 51.561 49.226 1.00 0.00 SBOX ATOM 2801 C4' ADE A 94 71.734 51.432 47.035 1.00 0.00 SBOX C ATOM 2802 H4' ADE A 94 72.201 50.499 46.720 1.00 0.00 SBOX ATOM 2803 O4' ADE A 94 70.707 51.704 46.118 1.00 0.00 SBOX O ATOM 2804 C1' ADE A 94 71.146 52.466 44.990 1.00 0.00 SBOX C ATOM 2805 H1' ADE A 94 70.986 51.788 44.151 1.00 0.00 SBOX ATOM 2806 N9 ADE A 94 70.253 53.651 44.940 1.00 0.00 SBOX N ATOM 2807 C8 ADE A 94 69.747 54.428 45.970 1.00 0.00 SBOX C ATOM 2808 H8 ADE A 94 69.880 54.013 46.958 1.00 0.00 SBOX ATOM 2809 N7 ADE A 94 69.189 55.517 45.572 1.00 0.00 SBOX N ATOM 2810 C5 ADE A 94 69.218 55.437 44.130 1.00 0.00 SBOX C ATOM 2811 C6 ADE A 94 68.796 56.241 43.007 1.00 0.00 SBOX C ATOM 2812 N6 ADE A 94 68.153 57.370 43.091 1.00 0.00 SBOX N ATOM 2813 H61 ADE A 94 67.704 57.735 42.263 1.00 0.00 SBOX ATOM 2814 H62 ADE A 94 67.630 57.491 43.947 1.00 0.00 SBOX ATOM 2815 N1 ADE A 94 69.050 55.937 41.718 1.00 0.00 SBOX N ATOM 2816 C2 ADE A 94 69.650 54.777 41.604 1.00 0.00 SBOX C ATOM 2817 H2 ADE A 94 69.814 54.364 40.620 1.00 0.00 SBOX ATOM 2818 N3 ADE A 94 70.105 53.920 42.545 1.00 0.00 SBOX N ATOM 2819 C4 ADE A 94 69.911 54.320 43.789 1.00 0.00 SBOX C ATOM 2820 C3' ADE A 94 72.750 52.615 46.798 1.00 0.00 SBOX C ATOM 2821 H3' ADE A 94 72.312 53.478 47.300 1.00 0.00 SBOX ATOM 2822 C2' ADE A 94 72.675 52.656 45.227 1.00 0.00 SBOX C ATOM 2823 H2'' ADE A 94 73.063 53.630 44.930 1.00 0.00 SBOX ATOM 2824 O2' ADE A 94 73.181 51.443 44.615 1.00 0.00 SBOX O ATOM 2825 H2' ADE A 94 73.703 51.714 43.856 1.00 0.00 SBOX ATOM 2826 OH2 TIP3X 401 59.475 9.203 12.544 1.00 0.00 SOLV O ATOM 2827 H1 TIP3X 401 59.158 9.678 13.312 1.00 0.00 SOLV ATOM 2828 H2 TIP3X 401 58.738 8.652 12.281 1.00 0.00 SOLV ATOM 2829 OH2 TIP3X 402 54.504 63.121 50.919 1.00 0.00 SOLV O ATOM 2830 H1 TIP3X 402 53.608 63.403 50.735 1.00 0.00 SOLV ATOM 2831 H2 TIP3X 402 54.404 62.276 51.357 1.00 0.00 SOLV ATOM 2832 OH2 TIP3X 403 46.270 33.729 7.284 1.00 0.00 SOLV O ATOM 2833 H1 TIP3X 403 46.831 33.946 8.029 1.00 0.00 SOLV ATOM 2834 H2 TIP3X 403 45.397 34.016 7.550 1.00 0.00 SOLV ATOM 2835 OH2 TIP3X 404 86.092 37.074 21.628 1.00 0.00 SOLV O ATOM 2836 H1 TIP3X 404 86.946 37.349 21.295 1.00 0.00 SOLV ATOM 2837 H2 TIP3X 404 86.205 36.148 21.842 1.00 0.00 SOLV ATOM 2838 OH2 TIP3X 405 24.532 79.801 31.800 1.00 0.00 SOLV O ATOM 2839 H1 TIP3X 405 24.140 78.928 31.776 1.00 0.00 SOLV ATOM 2840 H2 TIP3X 405 24.467 80.117 30.898 1.00 0.00 SOLV ATOM 2841 OH2 TIP3X 406 44.734 57.208 28.994 1.00 0.00 SOLV O ATOM 2842 H1 TIP3X 406 44.324 58.053 29.182 1.00 0.00 SOLV ATOM 2843 H2 TIP3X 406 45.261 57.367 28.211 1.00 0.00 SOLV ATOM 2844 OH2 TIP3X 407 26.155 39.303 24.986 1.00 0.00 SOLV O ATOM 2845 H1 TIP3X 407 26.240 40.228 25.221 1.00 0.00 SOLV ATOM 2846 H2 TIP3X 407 27.009 39.068 24.624 1.00 0.00 SOLV ATOM 2847 OH2 TIP3X 408 85.632 53.688 5.056 1.00 0.00 SOLV O ATOM 2848 H1 TIP3X 408 85.893 52.969 5.631 1.00 0.00 SOLV ATOM 2849 H2 TIP3X 408 84.933 54.135 5.533 1.00 0.00 SOLV ATOM 2850 OH2 TIP3X 409 55.989 48.649 21.812 1.00 0.00 SOLV O ATOM 2851 H1 TIP3X 409 56.365 48.918 20.974 1.00 0.00 SOLV ATOM 2852 H2 TIP3X 409 55.467 47.875 21.604 1.00 0.00 SOLV ATOM 2853 OH2 TIP3X 410 60.107 89.501 -4.524 1.00 0.00 SOLV O ATOM 2854 H1 TIP3X 410 59.599 88.756 -4.203 1.00 0.00 SOLV ATOM 2855 H2 TIP3X 410 60.548 89.172 -5.307 1.00 0.00 SOLV ATOM 2856 OH2 TIP3X 411 63.014 22.630 38.826 1.00 0.00 SOLV O ATOM 2857 H1 TIP3X 411 63.296 21.775 38.500 1.00 0.00 SOLV ATOM 2858 H2 TIP3X 411 62.480 22.992 38.119 1.00 0.00 SOLV ATOM 2859 OH2 TIP3X 412 77.767 21.052 -0.316 1.00 0.00 SOLV O ATOM 2860 H1 TIP3X 412 77.325 20.644 0.429 1.00 0.00 SOLV ATOM 2861 H2 TIP3X 412 78.674 20.752 -0.249 1.00 0.00 SOLV ATOM 2862 OH2 TIP3X 413 56.910 36.112 23.836 1.00 0.00 SOLV O ATOM 2863 H1 TIP3X 413 56.326 35.963 24.579 1.00 0.00 SOLV ATOM 2864 H2 TIP3X 413 56.324 36.196 23.083 1.00 0.00 SOLV ATOM 2865 OH2 TIP3X 415 52.100 55.029 26.425 1.00 0.00 SOLV O ATOM 2866 H1 TIP3X 415 52.096 54.159 26.825 1.00 0.00 SOLV ATOM 2867 H2 TIP3X 415 52.646 54.932 25.645 1.00 0.00 SOLV ATOM 2868 OH2 TIP3X 416 30.315 62.636 -11.154 1.00 0.00 SOLV O ATOM 2869 H1 TIP3X 416 29.637 61.988 -10.961 1.00 0.00 SOLV ATOM 2870 H2 TIP3X 416 30.242 63.277 -10.447 1.00 0.00 SOLV ATOM 2871 OH2 TIP3X 417 53.559 44.511 47.321 1.00 0.00 SOLV O ATOM 2872 H1 TIP3X 417 54.202 44.615 48.022 1.00 0.00 SOLV ATOM 2873 H2 TIP3X 417 54.080 44.486 46.519 1.00 0.00 SOLV ATOM 2874 OH2 TIP3X 418 29.348 54.507 24.824 1.00 0.00 SOLV O ATOM 2875 H1 TIP3X 418 30.135 54.639 25.353 1.00 0.00 SOLV ATOM 2876 H2 TIP3X 418 29.608 54.766 23.940 1.00 0.00 SOLV ATOM 2877 OH2 TIP3X 419 58.222 36.774 15.960 1.00 0.00 SOLV O ATOM 2878 H1 TIP3X 419 58.396 37.695 15.765 1.00 0.00 SOLV ATOM 2879 H2 TIP3X 419 57.477 36.793 16.561 1.00 0.00 SOLV ATOM 2880 OH2 TIP3X 420 45.436 52.211 19.317 1.00 0.00 SOLV O ATOM 2881 H1 TIP3X 420 46.339 51.928 19.171 1.00 0.00 SOLV ATOM 2882 H2 TIP3X 420 45.218 52.728 18.541 1.00 0.00 SOLV ATOM 2883 OH2 TIP3X 421 47.606 33.737 42.254 1.00 0.00 SOLV O ATOM 2884 H1 TIP3X 421 47.808 34.644 42.484 1.00 0.00 SOLV ATOM 2885 H2 TIP3X 421 46.679 33.750 42.017 1.00 0.00 SOLV ATOM 2886 OH2 TIP3X 422 26.343 76.685 46.298 1.00 0.00 SOLV O ATOM 2887 H1 TIP3X 422 26.066 75.798 46.072 1.00 0.00 SOLV ATOM 2888 H2 TIP3X 422 26.386 77.145 45.460 1.00 0.00 SOLV ATOM 2889 OH2 TIP3X 423 50.759 52.186 55.577 1.00 0.00 SOLV O ATOM 2890 H1 TIP3X 423 51.616 52.314 55.170 1.00 0.00 SOLV ATOM 2891 H2 TIP3X 423 50.304 53.018 55.447 1.00 0.00 SOLV ATOM 2892 OH2 TIP3X 424 67.884 47.765 22.976 1.00 0.00 SOLV O ATOM 2893 H1 TIP3X 424 66.947 47.932 23.078 1.00 0.00 SOLV ATOM 2894 H2 TIP3X 424 68.084 48.054 22.086 1.00 0.00 SOLV ATOM 2895 OH2 TIP3X 425 27.319 9.197 -12.200 1.00 0.00 SOLV O ATOM 2896 H1 TIP3X 425 27.919 9.454 -12.900 1.00 0.00 SOLV ATOM 2897 H2 TIP3X 425 26.458 9.479 -12.507 1.00 0.00 SOLV ATOM 2898 OH2 TIP3X 426 26.459 23.202 66.495 1.00 0.00 SOLV O ATOM 2899 H1 TIP3X 426 27.072 23.217 67.230 1.00 0.00 SOLV ATOM 2900 H2 TIP3X 426 26.815 23.835 65.871 1.00 0.00 SOLV ATOM 2901 OH2 TIP3X 427 44.252 25.146 13.484 1.00 0.00 SOLV O ATOM 2902 H1 TIP3X 427 44.374 26.051 13.771 1.00 0.00 SOLV ATOM 2903 H2 TIP3X 427 45.095 24.726 13.653 1.00 0.00 SOLV ATOM 2904 OH2 TIP3X 428 70.357 26.978 17.698 1.00 0.00 SOLV O ATOM 2905 H1 TIP3X 428 70.309 26.022 17.672 1.00 0.00 SOLV ATOM 2906 H2 TIP3X 428 71.293 27.170 17.745 1.00 0.00 SOLV ATOM 2907 OH2 TIP3X 429 71.274 33.625 22.300 1.00 0.00 SOLV O ATOM 2908 H1 TIP3X 429 71.288 34.339 21.664 1.00 0.00 SOLV ATOM 2909 H2 TIP3X 429 70.931 32.876 21.813 1.00 0.00 SOLV ATOM 2910 OH2 TIP3X 430 63.116 40.369 -8.255 1.00 0.00 SOLV O ATOM 2911 H1 TIP3X 430 62.879 40.913 -9.007 1.00 0.00 SOLV ATOM 2912 H2 TIP3X 430 63.034 40.954 -7.502 1.00 0.00 SOLV ATOM 2913 OH2 TIP3X 431 24.796 8.349 38.235 1.00 0.00 SOLV O ATOM 2914 H1 TIP3X 431 25.278 7.522 38.244 1.00 0.00 SOLV ATOM 2915 H2 TIP3X 431 23.910 8.108 37.963 1.00 0.00 SOLV ATOM 2916 OH2 TIP3X 432 32.693 27.073 29.082 1.00 0.00 SOLV O ATOM 2917 H1 TIP3X 432 32.590 27.893 29.564 1.00 0.00 SOLV ATOM 2918 H2 TIP3X 432 33.101 27.329 28.255 1.00 0.00 SOLV ATOM 2919 OH2 TIP3X 433 80.365 31.361 -15.038 1.00 0.00 SOLV O ATOM 2920 H1 TIP3X 433 80.879 31.296 -15.843 1.00 0.00 SOLV ATOM 2921 H2 TIP3X 433 79.628 30.766 -15.174 1.00 0.00 SOLV ATOM 2922 OH2 TIP3X 434 77.291 64.545 29.125 1.00 0.00 SOLV O ATOM 2923 H1 TIP3X 434 76.431 64.206 29.373 1.00 0.00 SOLV ATOM 2924 H2 TIP3X 434 77.377 64.327 28.197 1.00 0.00 SOLV ATOM 2925 OH2 TIP3X 435 68.989 13.236 56.439 1.00 0.00 SOLV O ATOM 2926 H1 TIP3X 435 68.548 13.616 57.198 1.00 0.00 SOLV ATOM 2927 H2 TIP3X 435 68.475 13.535 55.689 1.00 0.00 SOLV ATOM 2928 OH2 TIP3X 436 54.332 36.697 22.138 1.00 0.00 SOLV O ATOM 2929 H1 TIP3X 436 54.196 35.904 21.620 1.00 0.00 SOLV ATOM 2930 H2 TIP3X 436 53.544 37.220 21.990 1.00 0.00 SOLV ATOM 2931 OH2 TIP3X 437 64.448 28.303 29.348 1.00 0.00 SOLV O ATOM 2932 H1 TIP3X 437 64.064 27.686 28.726 1.00 0.00 SOLV ATOM 2933 H2 TIP3X 437 63.733 28.901 29.566 1.00 0.00 SOLV ATOM 2934 OH2 TIP3X 438 41.709 58.530 -4.361 1.00 0.00 SOLV O ATOM 2935 H1 TIP3X 438 41.274 58.158 -3.594 1.00 0.00 SOLV ATOM 2936 H2 TIP3X 438 42.488 58.961 -4.009 1.00 0.00 SOLV ATOM 2937 OH2 TIP3X 439 88.725 10.359 -1.454 1.00 0.00 SOLV O ATOM 2938 H1 TIP3X 439 89.637 10.275 -1.732 1.00 0.00 SOLV ATOM 2939 H2 TIP3X 439 88.239 10.501 -2.266 1.00 0.00 SOLV ATOM 2940 OH2 TIP3X 440 44.901 69.862 18.062 1.00 0.00 SOLV O ATOM 2941 H1 TIP3X 440 44.737 68.923 17.970 1.00 0.00 SOLV ATOM 2942 H2 TIP3X 440 45.691 69.916 18.599 1.00 0.00 SOLV ATOM 2943 OH2 TIP3X 441 50.188 55.895 20.146 1.00 0.00 SOLV O ATOM 2944 H1 TIP3X 441 50.413 55.211 19.515 1.00 0.00 SOLV ATOM 2945 H2 TIP3X 441 50.997 56.394 20.258 1.00 0.00 SOLV ATOM 2946 OH2 TIP3X 442 29.072 6.454 28.552 1.00 0.00 SOLV O ATOM 2947 H1 TIP3X 442 29.036 7.391 28.359 1.00 0.00 SOLV ATOM 2948 H2 TIP3X 442 28.664 6.036 27.794 1.00 0.00 SOLV ATOM 2949 OH2 TIP3X 443 49.276 53.150 21.241 1.00 0.00 SOLV O ATOM 2950 H1 TIP3X 443 50.032 53.430 21.758 1.00 0.00 SOLV ATOM 2951 H2 TIP3X 443 49.597 52.406 20.731 1.00 0.00 SOLV ATOM 2952 OH2 TIP3X 444 26.643 22.854 -13.189 1.00 0.00 SOLV O ATOM 2953 H1 TIP3X 444 27.521 23.142 -13.439 1.00 0.00 SOLV ATOM 2954 H2 TIP3X 444 26.396 23.434 -12.468 1.00 0.00 SOLV ATOM 2955 OH2 TIP3X 445 70.703 47.647 17.477 1.00 0.00 SOLV O ATOM 2956 H1 TIP3X 445 69.899 47.132 17.557 1.00 0.00 SOLV ATOM 2957 H2 TIP3X 445 70.438 48.540 17.694 1.00 0.00 SOLV ATOM 2958 OH2 TIP3X 446 82.647 95.725 41.844 1.00 0.00 SOLV O ATOM 2959 H1 TIP3X 446 82.956 95.573 40.951 1.00 0.00 SOLV ATOM 2960 H2 TIP3X 446 81.702 95.849 41.753 1.00 0.00 SOLV ATOM 2961 OH2 TIP3X 447 53.810 28.670 19.620 1.00 0.00 SOLV O ATOM 2962 H1 TIP3X 447 53.207 29.346 19.929 1.00 0.00 SOLV ATOM 2963 H2 TIP3X 447 53.300 27.860 19.652 1.00 0.00 SOLV ATOM 2964 OH2 TIP3X 448 59.757 51.956 -3.791 1.00 0.00 SOLV O ATOM 2965 H1 TIP3X 448 58.840 52.213 -3.894 1.00 0.00 SOLV ATOM 2966 H2 TIP3X 448 59.818 51.641 -2.889 1.00 0.00 SOLV ATOM 2967 OH2 TIP3X 449 67.912 51.548 56.235 1.00 0.00 SOLV O ATOM 2968 H1 TIP3X 449 68.475 51.742 55.485 1.00 0.00 SOLV ATOM 2969 H2 TIP3X 449 67.313 52.292 56.284 1.00 0.00 SOLV ATOM 2970 OH2 TIP3X 450 34.626 88.890 8.225 1.00 0.00 SOLV O ATOM 2971 H1 TIP3X 450 34.851 87.998 7.961 1.00 0.00 SOLV ATOM 2972 H2 TIP3X 450 34.735 88.894 9.176 1.00 0.00 SOLV ATOM 2973 OH2 TIP3X 451 40.676 65.136 63.772 1.00 0.00 SOLV O ATOM 2974 H1 TIP3X 451 41.001 64.860 62.915 1.00 0.00 SOLV ATOM 2975 H2 TIP3X 451 41.023 64.484 64.382 1.00 0.00 SOLV ATOM 2976 OH2 TIP3X 452 65.985 76.049 66.643 1.00 0.00 SOLV O ATOM 2977 H1 TIP3X 452 66.880 75.954 66.968 1.00 0.00 SOLV ATOM 2978 H2 TIP3X 452 65.979 76.899 66.202 1.00 0.00 SOLV ATOM 2979 OH2 TIP3X 453 57.142 71.133 25.832 1.00 0.00 SOLV O ATOM 2980 H1 TIP3X 453 56.386 70.545 25.844 1.00 0.00 SOLV ATOM 2981 H2 TIP3X 453 57.459 71.098 24.930 1.00 0.00 SOLV ATOM 2982 OH2 TIP3X 454 57.976 50.137 23.534 1.00 0.00 SOLV O ATOM 2983 H1 TIP3X 454 57.498 50.965 23.490 1.00 0.00 SOLV ATOM 2984 H2 TIP3X 454 57.327 49.502 23.836 1.00 0.00 SOLV ATOM 2985 OH2 TIP3X 455 53.149 54.906 23.929 1.00 0.00 SOLV O ATOM 2986 H1 TIP3X 455 54.020 54.651 23.626 1.00 0.00 SOLV ATOM 2987 H2 TIP3X 455 52.733 55.299 23.162 1.00 0.00 SOLV ATOM 2988 OH2 TIP3X 456 35.873 34.374 36.581 1.00 0.00 SOLV O ATOM 2989 H1 TIP3X 456 35.879 35.283 36.280 1.00 0.00 SOLV ATOM 2990 H2 TIP3X 456 36.792 34.107 36.556 1.00 0.00 SOLV ATOM 2991 OH2 TIP3X 457 65.165 26.481 12.712 1.00 0.00 SOLV O ATOM 2992 H1 TIP3X 457 65.137 25.878 13.454 1.00 0.00 SOLV ATOM 2993 H2 TIP3X 457 64.299 26.887 12.700 1.00 0.00 SOLV ATOM 2994 OH2 TIP3X 458 48.043 19.976 44.511 1.00 0.00 SOLV O ATOM 2995 H1 TIP3X 458 47.150 19.760 44.776 1.00 0.00 SOLV ATOM 2996 H2 TIP3X 458 48.010 20.001 43.554 1.00 0.00 SOLV ATOM 2997 OH2 TIP3X 459 48.980 53.758 24.448 1.00 0.00 SOLV O ATOM 2998 H1 TIP3X 459 49.119 54.352 23.710 1.00 0.00 SOLV ATOM 2999 H2 TIP3X 459 49.850 53.648 24.834 1.00 0.00 SOLV ATOM 3000 OH2 TIP3X 460 61.961 45.985 33.348 1.00 0.00 SOLV O ATOM 3001 H1 TIP3X 460 62.181 45.400 32.623 1.00 0.00 SOLV ATOM 3002 H2 TIP3X 460 61.558 46.746 32.928 1.00 0.00 SOLV ATOM 3003 OH2 TIP3X 461 73.639 69.334 18.771 1.00 0.00 SOLV O ATOM 3004 H1 TIP3X 461 72.892 68.948 18.314 1.00 0.00 SOLV ATOM 3005 H2 TIP3X 461 74.176 69.713 18.075 1.00 0.00 SOLV ATOM 3006 OH2 TIP3X 462 79.037 49.853 32.000 1.00 0.00 SOLV O ATOM 3007 H1 TIP3X 462 78.317 50.195 31.471 1.00 0.00 SOLV ATOM 3008 H2 TIP3X 462 79.607 50.608 32.146 1.00 0.00 SOLV ATOM 3009 OH2 TIP3X 463 44.641 67.155 18.053 1.00 0.00 SOLV O ATOM 3010 H1 TIP3X 463 43.899 66.930 17.492 1.00 0.00 SOLV ATOM 3011 H2 TIP3X 463 44.990 66.311 18.339 1.00 0.00 SOLV ATOM 3012 OH2 TIP3X 464 26.827 15.108 -0.944 1.00 0.00 SOLV O ATOM 3013 H1 TIP3X 464 26.239 15.564 -0.343 1.00 0.00 SOLV ATOM 3014 H2 TIP3X 464 26.724 15.570 -1.776 1.00 0.00 SOLV ATOM 3015 OH2 TIP3X 465 80.086 62.143 60.854 1.00 0.00 SOLV O ATOM 3016 H1 TIP3X 465 79.249 61.794 60.548 1.00 0.00 SOLV ATOM 3017 H2 TIP3X 465 80.034 62.090 61.808 1.00 0.00 SOLV ATOM 3018 OH2 TIP3X 466 29.917 39.717 18.979 1.00 0.00 SOLV O ATOM 3019 H1 TIP3X 466 29.235 39.701 19.651 1.00 0.00 SOLV ATOM 3020 H2 TIP3X 466 30.030 38.799 18.730 1.00 0.00 SOLV ATOM 3021 OH2 TIP3X 467 56.566 39.990 32.839 1.00 0.00 SOLV O ATOM 3022 H1 TIP3X 467 55.854 39.365 32.973 1.00 0.00 SOLV ATOM 3023 H2 TIP3X 467 56.227 40.606 32.190 1.00 0.00 SOLV ATOM 3024 OH2 TIP3X 468 34.244 27.635 41.788 1.00 0.00 SOLV O ATOM 3025 H1 TIP3X 468 34.734 27.307 41.034 1.00 0.00 SOLV ATOM 3026 H2 TIP3X 468 34.017 28.535 41.554 1.00 0.00 SOLV ATOM 3027 OH2 TIP3X 469 52.236 45.795 10.036 1.00 0.00 SOLV O ATOM 3028 H1 TIP3X 469 53.146 46.024 9.848 1.00 0.00 SOLV ATOM 3029 H2 TIP3X 469 52.224 45.611 10.976 1.00 0.00 SOLV ATOM 3030 OH2 TIP3X 470 26.458 22.156 38.097 1.00 0.00 SOLV O ATOM 3031 H1 TIP3X 470 26.715 21.249 38.265 1.00 0.00 SOLV ATOM 3032 H2 TIP3X 470 26.774 22.639 38.860 1.00 0.00 SOLV ATOM 3033 OH2 TIP3X 471 85.233 15.372 64.355 1.00 0.00 SOLV O ATOM 3034 H1 TIP3X 471 84.734 14.869 63.712 1.00 0.00 SOLV ATOM 3035 H2 TIP3X 471 85.276 14.804 65.124 1.00 0.00 SOLV ATOM 3036 OH2 TIP3X 472 48.343 43.271 24.880 1.00 0.00 SOLV O ATOM 3037 H1 TIP3X 472 48.866 43.976 24.499 1.00 0.00 SOLV ATOM 3038 H2 TIP3X 472 47.677 43.081 24.219 1.00 0.00 SOLV ATOM 3039 OH2 TIP3X 473 33.324 74.410 -13.438 1.00 0.00 SOLV O ATOM 3040 H1 TIP3X 473 33.160 74.390 -12.495 1.00 0.00 SOLV ATOM 3041 H2 TIP3X 473 33.415 73.490 -13.685 1.00 0.00 SOLV ATOM 3042 OH2 TIP3X 474 58.128 54.745 33.339 1.00 0.00 SOLV O ATOM 3043 H1 TIP3X 474 57.761 55.627 33.286 1.00 0.00 SOLV ATOM 3044 H2 TIP3X 474 58.468 54.573 32.460 1.00 0.00 SOLV ATOM 3045 OH2 TIP3X 475 33.395 60.491 11.931 1.00 0.00 SOLV O ATOM 3046 H1 TIP3X 475 32.878 61.036 11.338 1.00 0.00 SOLV ATOM 3047 H2 TIP3X 475 34.079 60.115 11.376 1.00 0.00 SOLV ATOM 3048 OH2 TIP3X 476 74.989 34.427 -15.496 1.00 0.00 SOLV O ATOM 3049 H1 TIP3X 476 75.856 34.370 -15.095 1.00 0.00 SOLV ATOM 3050 H2 TIP3X 476 75.145 34.276 -16.429 1.00 0.00 SOLV ATOM 3051 OH2 TIP3X 477 45.611 70.547 -7.656 1.00 0.00 SOLV O ATOM 3052 H1 TIP3X 477 45.580 70.783 -6.728 1.00 0.00 SOLV ATOM 3053 H2 TIP3X 477 46.512 70.729 -7.920 1.00 0.00 SOLV ATOM 3054 OH2 TIP3X 478 22.244 79.645 11.392 1.00 0.00 SOLV O ATOM 3055 H1 TIP3X 478 21.813 78.919 11.843 1.00 0.00 SOLV ATOM 3056 H2 TIP3X 478 22.747 80.087 12.075 1.00 0.00 SOLV ATOM 3057 OH2 TIP3X 479 40.546 50.019 29.099 1.00 0.00 SOLV O ATOM 3058 H1 TIP3X 479 39.706 49.668 28.804 1.00 0.00 SOLV ATOM 3059 H2 TIP3X 479 40.732 50.738 28.495 1.00 0.00 SOLV ATOM 3060 OH2 TIP3X 480 52.207 55.704 16.504 1.00 0.00 SOLV O ATOM 3061 H1 TIP3X 480 51.531 55.323 17.064 1.00 0.00 SOLV ATOM 3062 H2 TIP3X 480 52.882 55.028 16.449 1.00 0.00 SOLV ATOM 3063 OH2 TIP3X 481 74.146 3.891 42.817 1.00 0.00 SOLV O ATOM 3064 H1 TIP3X 481 73.687 4.567 43.316 1.00 0.00 SOLV ATOM 3065 H2 TIP3X 481 73.494 3.201 42.693 1.00 0.00 SOLV ATOM 3066 OH2 TIP3X 482 68.457 85.924 58.240 1.00 0.00 SOLV O ATOM 3067 H1 TIP3X 482 67.617 85.484 58.107 1.00 0.00 SOLV ATOM 3068 H2 TIP3X 482 68.281 86.843 58.038 1.00 0.00 SOLV ATOM 3069 OH2 TIP3X 483 82.060 66.149 29.428 1.00 0.00 SOLV O ATOM 3070 H1 TIP3X 483 81.109 66.244 29.471 1.00 0.00 SOLV ATOM 3071 H2 TIP3X 483 82.290 66.427 28.542 1.00 0.00 SOLV ATOM 3072 OH2 TIP3X 484 36.904 87.288 61.104 1.00 0.00 SOLV O ATOM 3073 H1 TIP3X 484 36.105 87.265 61.630 1.00 0.00 SOLV ATOM 3074 H2 TIP3X 484 37.467 86.618 61.493 1.00 0.00 SOLV ATOM 3075 OH2 TIP3X 485 67.057 68.055 46.845 1.00 0.00 SOLV O ATOM 3076 H1 TIP3X 485 66.612 67.212 46.757 1.00 0.00 SOLV ATOM 3077 H2 TIP3X 485 66.390 68.703 46.616 1.00 0.00 SOLV ATOM 3078 OH2 TIP3X 486 30.062 31.694 35.817 1.00 0.00 SOLV O ATOM 3079 H1 TIP3X 486 29.287 31.530 35.278 1.00 0.00 SOLV ATOM 3080 H2 TIP3X 486 30.360 32.563 35.550 1.00 0.00 SOLV ATOM 3081 OH2 TIP3X 487 41.245 51.196 26.784 1.00 0.00 SOLV O ATOM 3082 H1 TIP3X 487 41.205 51.921 26.160 1.00 0.00 SOLV ATOM 3083 H2 TIP3X 487 42.013 50.691 26.517 1.00 0.00 SOLV ATOM 3084 OH2 TIP3X 488 23.644 59.344 -14.746 1.00 0.00 SOLV O ATOM 3085 H1 TIP3X 488 23.411 60.270 -14.798 1.00 0.00 SOLV ATOM 3086 H2 TIP3X 488 24.112 59.260 -13.915 1.00 0.00 SOLV ATOM 3087 OH2 TIP3X 489 49.221 43.097 37.574 1.00 0.00 SOLV O ATOM 3088 H1 TIP3X 489 49.259 43.585 36.752 1.00 0.00 SOLV ATOM 3089 H2 TIP3X 489 48.503 42.476 37.451 1.00 0.00 SOLV ATOM 3090 MG MG X 205 44.819 52.263 21.299 1.00 0.00 IONSMG ATOM 3091 MG MG X 206 57.999 40.607 34.121 1.00 0.00 IONSMG ATOM 3092 C4' SAM X 301 49.242 54.538 31.914 1.00 0.00 SAM C ATOM 3093 H4' SAM X 301 50.076 54.067 32.442 1.00 0.00 SAM ATOM 3094 O4' SAM X 301 49.728 55.940 31.794 1.00 0.00 SAM O ATOM 3095 C1' SAM X 301 49.619 56.763 33.051 1.00 0.00 SAM C ATOM 3096 H1' SAM X 301 50.605 56.860 33.530 1.00 0.00 SAM ATOM 3097 N9 SAM X 301 49.216 58.073 32.805 1.00 0.00 SAM N ATOM 3098 C5 SAM X 301 48.113 59.787 31.956 1.00 0.00 SAM C ATOM 3099 N7 SAM X 301 49.385 60.187 32.033 1.00 0.00 SAM N ATOM 3100 C8 SAM X 301 50.087 59.147 32.618 1.00 0.00 SAM C ATOM 3101 H8 SAM X 301 51.065 59.165 33.074 1.00 0.00 SAM ATOM 3102 N1 SAM X 301 45.807 59.807 31.304 1.00 0.00 SAM N ATOM 3103 C2 SAM X 301 45.713 58.544 31.788 1.00 0.00 SAM C ATOM 3104 H2 SAM X 301 44.901 57.852 31.592 1.00 0.00 SAM ATOM 3105 N3 SAM X 301 46.784 57.870 32.343 1.00 0.00 SAM N ATOM 3106 C4 SAM X 301 47.975 58.503 32.327 1.00 0.00 SAM C ATOM 3107 C6 SAM X 301 46.986 60.391 31.394 1.00 0.00 SAM C ATOM 3108 N6 SAM X 301 46.974 61.547 30.794 1.00 0.00 SAM N ATOM 3109 H61 SAM X 301 47.411 62.308 31.302 1.00 0.00 SAM ATOM 3110 H62 SAM X 301 45.985 61.763 30.720 1.00 0.00 SAM ATOM 3111 C2' SAM X 301 48.673 55.902 33.935 1.00 0.00 SAM C ATOM 3112 H2'' SAM X 301 47.868 56.467 34.410 1.00 0.00 SAM ATOM 3113 O2' SAM X 301 49.269 55.370 35.094 1.00 0.00 SAM O ATOM 3114 H2' SAM X 301 48.944 54.479 35.242 1.00 0.00 SAM ATOM 3115 N SAM X 301 49.090 59.046 28.862 1.00 0.00 SAM N ATOM 3116 HT1 SAM X 301 50.060 59.065 29.216 1.00 0.00 SAM ATOM 3117 HT2 SAM X 301 49.018 59.911 28.300 1.00 0.00 SAM ATOM 3118 HT3 SAM X 301 48.603 59.181 29.762 1.00 0.00 SAM ATOM 3119 CA SAM X 301 48.755 57.857 27.860 1.00 0.00 SAM C ATOM 3120 HA SAM X 301 49.581 57.770 27.154 1.00 0.00 SAM ATOM 3121 CB SAM X 301 48.712 56.594 28.709 1.00 0.00 SAM C ATOM 3122 HB1 SAM X 301 48.391 56.927 29.698 1.00 0.00 SAM ATOM 3123 HB2 SAM X 301 47.989 55.897 28.280 1.00 0.00 SAM ATOM 3124 CG SAM X 301 50.053 55.908 28.916 1.00 0.00 SAM C ATOM 3125 HG1 SAM X 301 50.748 55.993 28.078 1.00 0.00 SAM ATOM 3126 HG2 SAM X 301 50.633 56.381 29.713 1.00 0.00 SAM ATOM 3127 SD SAM X 301 50.062 54.144 29.314 1.00 0.00 SAM S ATOM 3128 C5' SAM X 301 48.744 54.034 30.557 1.00 0.00 SAM C ATOM 3129 H5' SAM X 301 48.342 53.018 30.583 1.00 0.00 SAM ATOM 3130 H5'' SAM X 301 47.995 54.701 30.123 1.00 0.00 SAM ATOM 3131 CE SAM X 301 49.257 53.422 27.812 1.00 0.00 SAM C ATOM 3132 HE1 SAM X 301 48.185 53.600 27.697 1.00 0.00 SAM ATOM 3133 HE2 SAM X 301 49.553 52.370 27.830 1.00 0.00 SAM ATOM 3134 HE3 SAM X 301 49.704 54.008 27.004 1.00 0.00 SAM ATOM 3135 C3' SAM X 301 48.197 54.780 32.984 1.00 0.00 SAM C ATOM 3136 H3' SAM X 301 47.294 55.153 32.494 1.00 0.00 SAM ATOM 3137 O3' SAM X 301 47.933 53.542 33.704 1.00 0.00 SAM O ATOM 3138 H3T SAM X 301 47.021 53.546 34.003 1.00 0.00 SAM ATOM 3139 C SAM X 301 47.521 58.052 26.871 1.00 0.00 SAM C ATOM 3140 OXT SAM X 301 47.184 59.203 26.615 1.00 0.00 SAM O ATOM 3141 O SAM X 301 46.656 57.165 26.734 1.00 0.00 SAM O ATOM 3142 OH2 TIP3 1 24.887 96.046 8.943 1.00 0.00 WT1 O ATOM 3143 H1 TIP3 1 25.369 96.433 8.212 1.00 0.00 WT1 H ATOM 3144 H2 TIP3 1 23.988 96.352 8.826 1.00 0.00 WT1 H ATOM 3145 OH2 TIP3 2 28.623 21.575 56.081 1.00 0.00 WT1 O ATOM 3146 H1 TIP3 2 28.869 21.614 57.005 1.00 0.00 WT1 H ATOM 3147 H2 TIP3 2 29.442 21.718 55.608 1.00 0.00 WT1 H ATOM 3148 OH2 TIP3 3 86.374 83.873 33.723 1.00 0.00 WT1 O ATOM 3149 H1 TIP3 3 85.776 83.130 33.806 1.00 0.00 WT1 H ATOM 3150 H2 TIP3 3 86.516 83.961 32.780 1.00 0.00 WT1 H ATOM 3151 OH2 TIP3 4 86.019 86.238 12.616 1.00 0.00 WT1 O ATOM 3152 H1 TIP3 4 86.594 86.752 13.183 1.00 0.00 WT1 H ATOM 3153 H2 TIP3 4 85.140 86.391 12.963 1.00 0.00 WT1 H ATOM 3154 OH2 TIP3 5 20.946 8.793 57.723 1.00 0.00 WT1 O ATOM 3155 H1 TIP3 5 21.260 8.924 56.828 1.00 0.00 WT1 H ATOM 3156 H2 TIP3 5 20.280 8.111 57.646 1.00 0.00 WT1 H ATOM 3157 OH2 TIP3 6 50.162 6.958 -6.830 1.00 0.00 WT1 O ATOM 3158 H1 TIP3 6 50.850 6.331 -7.052 1.00 0.00 WT1 H ATOM 3159 H2 TIP3 6 49.535 6.891 -7.550 1.00 0.00 WT1 H ATOM 3160 OH2 TIP3 7 70.165 77.455 35.113 1.00 0.00 WT1 O ATOM 3161 H1 TIP3 7 70.176 76.780 34.434 1.00 0.00 WT1 H ATOM 3162 H2 TIP3 7 69.375 77.271 35.622 1.00 0.00 WT1 H ATOM 3163 OH2 TIP3 8 69.453 16.388 7.326 1.00 0.00 WT1 O ATOM 3164 H1 TIP3 8 68.806 16.941 7.763 1.00 0.00 WT1 H ATOM 3165 H2 TIP3 8 70.061 17.005 6.918 1.00 0.00 WT1 H ATOM 3166 OH2 TIP3 9 34.790 14.452 -5.370 1.00 0.00 WT1 O ATOM 3167 H1 TIP3 9 34.248 14.563 -6.151 1.00 0.00 WT1 H ATOM 3168 H2 TIP3 9 35.474 13.839 -5.637 1.00 0.00 WT1 H ATOM 3169 OH2 TIP3 10 23.708 90.282 17.912 1.00 0.00 WT1 O ATOM 3170 H1 TIP3 10 24.086 89.872 18.690 1.00 0.00 WT1 H ATOM 3171 H2 TIP3 10 24.456 90.438 17.335 1.00 0.00 WT1 H ATOM 3172 OH2 TIP3 11 36.492 46.928 13.937 1.00 0.00 WT1 O ATOM 3173 H1 TIP3 11 36.342 46.339 14.677 1.00 0.00 WT1 H ATOM 3174 H2 TIP3 11 37.340 46.660 13.585 1.00 0.00 WT1 H ATOM 3175 OH2 TIP3 12 50.967 34.506 42.606 1.00 0.00 WT1 O ATOM 3176 H1 TIP3 12 50.880 34.299 41.676 1.00 0.00 WT1 H ATOM 3177 H2 TIP3 12 50.307 35.180 42.765 1.00 0.00 WT1 H ATOM 3178 OH2 TIP3 13 47.531 93.614 -9.861 1.00 0.00 WT1 O ATOM 3179 H1 TIP3 13 47.400 94.002 -10.726 1.00 0.00 WT1 H ATOM 3180 H2 TIP3 13 46.985 92.828 -9.865 1.00 0.00 WT1 H ATOM 3181 OH2 TIP3 14 34.766 59.852 41.985 1.00 0.00 WT1 O ATOM 3182 H1 TIP3 14 35.552 59.316 41.874 1.00 0.00 WT1 H ATOM 3183 H2 TIP3 14 35.020 60.718 41.667 1.00 0.00 WT1 H ATOM 3184 OH2 TIP3 15 35.744 20.658 41.581 1.00 0.00 WT1 O ATOM 3185 H1 TIP3 15 35.306 20.441 40.757 1.00 0.00 WT1 H ATOM 3186 H2 TIP3 15 36.648 20.844 41.330 1.00 0.00 WT1 H ATOM 3187 OH2 TIP3 16 31.033 51.705 20.379 1.00 0.00 WT1 O ATOM 3188 H1 TIP3 16 31.557 52.300 20.915 1.00 0.00 WT1 H ATOM 3189 H2 TIP3 16 31.124 52.042 19.487 1.00 0.00 WT1 H ATOM 3190 OH2 TIP3 17 83.966 5.918 38.479 1.00 0.00 WT1 O ATOM 3191 H1 TIP3 17 84.399 5.066 38.522 1.00 0.00 WT1 H ATOM 3192 H2 TIP3 17 84.604 6.491 38.053 1.00 0.00 WT1 H ATOM 3193 OH2 TIP3 18 64.205 95.476 44.724 1.00 0.00 WT1 O ATOM 3194 H1 TIP3 18 64.202 95.849 43.842 1.00 0.00 WT1 H ATOM 3195 H2 TIP3 18 63.540 94.787 44.695 1.00 0.00 WT1 H ATOM 3196 OH2 TIP3 19 31.663 9.301 38.482 1.00 0.00 WT1 O ATOM 3197 H1 TIP3 19 31.538 9.507 39.408 1.00 0.00 WT1 H ATOM 3198 H2 TIP3 19 30.807 8.990 38.187 1.00 0.00 WT1 H ATOM 3199 OH2 TIP3 20 34.511 49.669 32.527 1.00 0.00 WT1 O ATOM 3200 H1 TIP3 20 35.132 50.379 32.689 1.00 0.00 WT1 H ATOM 3201 H2 TIP3 20 35.024 48.870 32.647 1.00 0.00 WT1 H ATOM 3202 OH2 TIP3 21 56.326 12.308 -17.422 1.00 0.00 WT1 O ATOM 3203 H1 TIP3 21 57.138 12.091 -16.964 1.00 0.00 WT1 H ATOM 3204 H2 TIP3 21 55.714 11.617 -17.167 1.00 0.00 WT1 H ATOM 3205 OH2 TIP3 22 41.869 17.490 2.247 1.00 0.00 WT1 O ATOM 3206 H1 TIP3 22 42.260 18.331 2.483 1.00 0.00 WT1 H ATOM 3207 H2 TIP3 22 42.575 17.010 1.813 1.00 0.00 WT1 H ATOM 3208 OH2 TIP3 23 36.916 91.618 66.023 1.00 0.00 WT1 O ATOM 3209 H1 TIP3 23 36.490 91.327 65.216 1.00 0.00 WT1 H ATOM 3210 H2 TIP3 23 37.343 92.441 65.785 1.00 0.00 WT1 H ATOM 3211 OH2 TIP3 24 79.003 63.992 3.766 1.00 0.00 WT1 O ATOM 3212 H1 TIP3 24 78.180 63.530 3.605 1.00 0.00 WT1 H ATOM 3213 H2 TIP3 24 79.673 63.432 3.375 1.00 0.00 WT1 H ATOM 3214 OH2 TIP3 25 39.844 82.723 21.818 1.00 0.00 WT1 O ATOM 3215 H1 TIP3 25 39.503 83.282 22.516 1.00 0.00 WT1 H ATOM 3216 H2 TIP3 25 40.670 83.133 21.564 1.00 0.00 WT1 H ATOM 3217 OH2 TIP3 26 86.510 76.109 4.766 1.00 0.00 WT1 O ATOM 3218 H1 TIP3 26 86.503 75.330 5.323 1.00 0.00 WT1 H ATOM 3219 H2 TIP3 26 87.329 76.046 4.275 1.00 0.00 WT1 H ATOM 3220 OH2 TIP3 27 88.524 15.267 -14.133 1.00 0.00 WT1 O ATOM 3221 H1 TIP3 27 89.461 15.440 -14.224 1.00 0.00 WT1 H ATOM 3222 H2 TIP3 27 88.381 14.458 -14.624 1.00 0.00 WT1 H ATOM 3223 OH2 TIP3 28 49.510 84.734 65.225 1.00 0.00 WT1 O ATOM 3224 H1 TIP3 28 48.882 85.282 65.695 1.00 0.00 WT1 H ATOM 3225 H2 TIP3 28 49.223 83.838 65.398 1.00 0.00 WT1 H ATOM 3226 OH2 TIP3 29 52.422 65.981 -4.552 1.00 0.00 WT1 O ATOM 3227 H1 TIP3 29 52.958 65.586 -3.865 1.00 0.00 WT1 H ATOM 3228 H2 TIP3 29 51.756 66.480 -4.080 1.00 0.00 WT1 H ATOM 3229 OH2 TIP3 30 78.173 30.864 22.093 1.00 0.00 WT1 O ATOM 3230 H1 TIP3 30 78.629 31.180 22.872 1.00 0.00 WT1 H ATOM 3231 H2 TIP3 30 77.244 30.936 22.313 1.00 0.00 WT1 H ATOM 3232 OH2 TIP3 31 66.740 65.906 16.883 1.00 0.00 WT1 O ATOM 3233 H1 TIP3 31 66.173 65.144 17.001 1.00 0.00 WT1 H ATOM 3234 H2 TIP3 31 67.168 65.758 16.040 1.00 0.00 WT1 H ATOM 3235 OH2 TIP3 32 54.494 89.531 40.061 1.00 0.00 WT1 O ATOM 3236 H1 TIP3 32 55.001 88.879 39.577 1.00 0.00 WT1 H ATOM 3237 H2 TIP3 32 53.711 89.670 39.528 1.00 0.00 WT1 H ATOM 3238 OH2 TIP3 33 32.539 43.111 56.182 1.00 0.00 WT1 O ATOM 3239 H1 TIP3 33 33.052 43.434 55.441 1.00 0.00 WT1 H ATOM 3240 H2 TIP3 33 32.154 43.898 56.568 1.00 0.00 WT1 H ATOM 3241 OH2 TIP3 34 31.524 3.574 36.057 1.00 0.00 WT1 O ATOM 3242 H1 TIP3 34 32.223 3.392 35.430 1.00 0.00 WT1 H ATOM 3243 H2 TIP3 34 31.686 4.472 36.344 1.00 0.00 WT1 H ATOM 3244 OH2 TIP3 35 51.183 21.750 23.941 1.00 0.00 WT1 O ATOM 3245 H1 TIP3 35 51.904 22.301 24.246 1.00 0.00 WT1 H ATOM 3246 H2 TIP3 35 50.441 22.000 24.493 1.00 0.00 WT1 H ATOM 3247 OH2 TIP3 38 21.690 32.551 -9.776 1.00 0.00 WT1 O ATOM 3248 H1 TIP3 38 21.372 33.432 -9.576 1.00 0.00 WT1 H ATOM 3249 H2 TIP3 38 21.079 32.219 -10.433 1.00 0.00 WT1 H ATOM 3250 OH2 TIP3 39 34.489 28.077 0.556 1.00 0.00 WT1 O ATOM 3251 H1 TIP3 39 33.657 27.881 0.986 1.00 0.00 WT1 H ATOM 3252 H2 TIP3 39 35.107 27.451 0.932 1.00 0.00 WT1 H ATOM 3253 OH2 TIP3 40 86.705 43.791 -3.439 1.00 0.00 WT1 O ATOM 3254 H1 TIP3 40 86.137 43.181 -3.911 1.00 0.00 WT1 H ATOM 3255 H2 TIP3 40 86.165 44.571 -3.310 1.00 0.00 WT1 H ATOM 3256 OH2 TIP3 41 46.789 82.553 66.075 1.00 0.00 WT1 O ATOM 3257 H1 TIP3 41 47.478 82.124 65.567 1.00 0.00 WT1 H ATOM 3258 H2 TIP3 41 45.993 82.419 65.561 1.00 0.00 WT1 H ATOM 3259 OH2 TIP3 42 29.739 39.686 2.754 1.00 0.00 WT1 O ATOM 3260 H1 TIP3 42 30.045 40.444 3.253 1.00 0.00 WT1 H ATOM 3261 H2 TIP3 42 30.347 38.984 2.986 1.00 0.00 WT1 H ATOM 3262 OH2 TIP3 43 24.567 96.083 -2.002 1.00 0.00 WT1 O ATOM 3263 H1 TIP3 43 24.713 96.908 -2.464 1.00 0.00 WT1 H ATOM 3264 H2 TIP3 43 25.255 95.501 -2.325 1.00 0.00 WT1 H ATOM 3265 OH2 TIP3 44 27.910 0.809 -11.339 1.00 0.00 WT1 O ATOM 3266 H1 TIP3 44 27.908 0.839 -12.296 1.00 0.00 WT1 H ATOM 3267 H2 TIP3 44 27.380 1.561 -11.074 1.00 0.00 WT1 H ATOM 3268 OH2 TIP3 45 83.025 15.221 -17.499 1.00 0.00 WT1 O ATOM 3269 H1 TIP3 45 82.112 15.204 -17.787 1.00 0.00 WT1 H ATOM 3270 H2 TIP3 45 83.049 15.895 -16.820 1.00 0.00 WT1 H ATOM 3271 OH2 TIP3 46 30.301 39.471 -14.275 1.00 0.00 WT1 O ATOM 3272 H1 TIP3 46 31.212 39.763 -14.285 1.00 0.00 WT1 H ATOM 3273 H2 TIP3 46 30.300 38.671 -14.801 1.00 0.00 WT1 H ATOM 3274 OH2 TIP3 47 40.173 61.087 4.445 1.00 0.00 WT1 O ATOM 3275 H1 TIP3 47 40.548 61.885 4.818 1.00 0.00 WT1 H ATOM 3276 H2 TIP3 47 40.553 60.378 4.964 1.00 0.00 WT1 H ATOM 3277 OH2 TIP3 48 48.536 32.046 53.374 1.00 0.00 WT1 O ATOM 3278 H1 TIP3 48 48.235 32.451 52.561 1.00 0.00 WT1 H ATOM 3279 H2 TIP3 48 49.232 31.448 53.100 1.00 0.00 WT1 H ATOM 3280 OH2 TIP3 49 32.305 5.186 3.843 1.00 0.00 WT1 O ATOM 3281 H1 TIP3 49 32.485 5.853 4.505 1.00 0.00 WT1 H ATOM 3282 H2 TIP3 49 31.931 5.672 3.108 1.00 0.00 WT1 H ATOM 3283 OH2 TIP3 50 21.510 34.039 -12.621 1.00 0.00 WT1 O ATOM 3284 H1 TIP3 50 21.597 33.336 -13.265 1.00 0.00 WT1 H ATOM 3285 H2 TIP3 50 20.745 34.537 -12.911 1.00 0.00 WT1 H ATOM 3286 OH2 TIP3 51 87.577 84.150 9.226 1.00 0.00 WT1 O ATOM 3287 H1 TIP3 51 87.265 85.014 8.956 1.00 0.00 WT1 H ATOM 3288 H2 TIP3 51 87.519 83.616 8.435 1.00 0.00 WT1 H ATOM 3289 OH2 TIP3 52 33.093 92.042 1.279 1.00 0.00 WT1 O ATOM 3290 H1 TIP3 52 32.742 91.551 0.537 1.00 0.00 WT1 H ATOM 3291 H2 TIP3 52 33.524 91.381 1.822 1.00 0.00 WT1 H ATOM 3292 OH2 TIP3 53 40.377 59.673 -6.660 1.00 0.00 WT1 O ATOM 3293 H1 TIP3 53 39.567 59.611 -6.154 1.00 0.00 WT1 H ATOM 3294 H2 TIP3 53 41.070 59.483 -6.027 1.00 0.00 WT1 H ATOM 3295 OH2 TIP3 54 66.265 69.300 -16.564 1.00 0.00 WT1 O ATOM 3296 H1 TIP3 54 66.875 70.014 -16.383 1.00 0.00 WT1 H ATOM 3297 H2 TIP3 54 66.475 69.024 -17.456 1.00 0.00 WT1 H ATOM 3298 OH2 TIP3 56 31.694 24.955 60.772 1.00 0.00 WT1 O ATOM 3299 H1 TIP3 56 31.605 24.567 61.643 1.00 0.00 WT1 H ATOM 3300 H2 TIP3 56 31.972 25.856 60.938 1.00 0.00 WT1 H ATOM 3301 OH2 TIP3 57 57.537 29.065 58.127 1.00 0.00 WT1 O ATOM 3302 H1 TIP3 57 57.872 29.793 57.604 1.00 0.00 WT1 H ATOM 3303 H2 TIP3 57 58.315 28.682 58.532 1.00 0.00 WT1 H ATOM 3304 OH2 TIP3 58 28.343 92.671 13.473 1.00 0.00 WT1 O ATOM 3305 H1 TIP3 58 27.412 92.451 13.487 1.00 0.00 WT1 H ATOM 3306 H2 TIP3 58 28.367 93.619 13.599 1.00 0.00 WT1 H ATOM 3307 OH2 TIP3 59 55.926 32.765 29.364 1.00 0.00 WT1 O ATOM 3308 H1 TIP3 59 55.800 31.953 28.874 1.00 0.00 WT1 H ATOM 3309 H2 TIP3 59 55.764 33.459 28.725 1.00 0.00 WT1 H ATOM 3310 OH2 TIP3 60 23.873 18.772 64.370 1.00 0.00 WT1 O ATOM 3311 H1 TIP3 60 23.695 19.628 64.759 1.00 0.00 WT1 H ATOM 3312 H2 TIP3 60 23.116 18.600 63.810 1.00 0.00 WT1 H ATOM 3313 OH2 TIP3 61 66.673 90.250 -12.906 1.00 0.00 WT1 O ATOM 3314 H1 TIP3 61 66.455 89.448 -12.430 1.00 0.00 WT1 H ATOM 3315 H2 TIP3 61 65.903 90.425 -13.447 1.00 0.00 WT1 H ATOM 3316 OH2 TIP3 62 74.175 10.971 -4.425 1.00 0.00 WT1 O ATOM 3317 H1 TIP3 62 73.818 10.389 -5.096 1.00 0.00 WT1 H ATOM 3318 H2 TIP3 62 74.133 11.843 -4.818 1.00 0.00 WT1 H ATOM 3319 OH2 TIP3 63 44.763 11.167 49.411 1.00 0.00 WT1 O ATOM 3320 H1 TIP3 63 44.733 11.463 48.501 1.00 0.00 WT1 H ATOM 3321 H2 TIP3 63 45.638 10.792 49.513 1.00 0.00 WT1 H ATOM 3322 OH2 TIP3 64 60.827 69.102 27.266 1.00 0.00 WT1 O ATOM 3323 H1 TIP3 64 60.860 68.216 27.627 1.00 0.00 WT1 H ATOM 3324 H2 TIP3 64 60.300 69.019 26.472 1.00 0.00 WT1 H ATOM 3325 OH2 TIP3 65 33.250 52.311 -12.682 1.00 0.00 WT1 O ATOM 3326 H1 TIP3 65 34.206 52.262 -12.703 1.00 0.00 WT1 H ATOM 3327 H2 TIP3 65 33.031 52.336 -11.750 1.00 0.00 WT1 H ATOM 3328 OH2 TIP3 66 69.542 27.923 -14.842 1.00 0.00 WT1 O ATOM 3329 H1 TIP3 66 70.260 28.411 -14.439 1.00 0.00 WT1 H ATOM 3330 H2 TIP3 66 68.861 27.900 -14.171 1.00 0.00 WT1 H ATOM 3331 OH2 TIP3 67 46.512 6.795 13.446 1.00 0.00 WT1 O ATOM 3332 H1 TIP3 67 46.895 7.625 13.161 1.00 0.00 WT1 H ATOM 3333 H2 TIP3 67 45.630 7.025 13.738 1.00 0.00 WT1 H ATOM 3334 OH2 TIP3 68 26.461 86.475 7.227 1.00 0.00 WT1 O ATOM 3335 H1 TIP3 68 25.927 87.155 6.817 1.00 0.00 WT1 H ATOM 3336 H2 TIP3 68 27.331 86.867 7.304 1.00 0.00 WT1 H ATOM 3337 OH2 TIP3 69 43.233 36.073 53.654 1.00 0.00 WT1 O ATOM 3338 H1 TIP3 69 44.163 35.875 53.759 1.00 0.00 WT1 H ATOM 3339 H2 TIP3 69 42.785 35.267 53.912 1.00 0.00 WT1 H ATOM 3340 OH2 TIP3 70 88.390 44.404 12.875 1.00 0.00 WT1 O ATOM 3341 H1 TIP3 70 87.833 45.171 13.005 1.00 0.00 WT1 H ATOM 3342 H2 TIP3 70 87.781 43.666 12.858 1.00 0.00 WT1 H ATOM 3343 OH2 TIP3 71 85.421 17.964 36.449 1.00 0.00 WT1 O ATOM 3344 H1 TIP3 71 85.245 18.833 36.091 1.00 0.00 WT1 H ATOM 3345 H2 TIP3 71 84.894 17.921 37.247 1.00 0.00 WT1 H ATOM 3346 OH2 TIP3 72 36.260 82.110 10.050 1.00 0.00 WT1 O ATOM 3347 H1 TIP3 72 37.091 81.878 9.635 1.00 0.00 WT1 H ATOM 3348 H2 TIP3 72 35.592 81.747 9.468 1.00 0.00 WT1 H ATOM 3349 OH2 TIP3 73 42.301 40.914 19.059 1.00 0.00 WT1 O ATOM 3350 H1 TIP3 73 42.412 40.104 18.562 1.00 0.00 WT1 H ATOM 3351 H2 TIP3 73 42.076 40.623 19.943 1.00 0.00 WT1 H ATOM 3352 OH2 TIP3 74 62.415 81.136 18.073 1.00 0.00 WT1 O ATOM 3353 H1 TIP3 74 62.365 80.238 17.745 1.00 0.00 WT1 H ATOM 3354 H2 TIP3 74 61.527 81.478 17.974 1.00 0.00 WT1 H ATOM 3355 OH2 TIP3 75 35.330 20.970 10.048 1.00 0.00 WT1 O ATOM 3356 H1 TIP3 75 34.640 20.553 10.564 1.00 0.00 WT1 H ATOM 3357 H2 TIP3 75 36.145 20.677 10.456 1.00 0.00 WT1 H ATOM 3358 OH2 TIP3 76 83.386 38.060 4.955 1.00 0.00 WT1 O ATOM 3359 H1 TIP3 76 83.848 38.740 5.445 1.00 0.00 WT1 H ATOM 3360 H2 TIP3 76 83.967 37.853 4.223 1.00 0.00 WT1 H ATOM 3361 OH2 TIP3 77 26.843 49.492 43.213 1.00 0.00 WT1 O ATOM 3362 H1 TIP3 77 26.096 50.068 43.050 1.00 0.00 WT1 H ATOM 3363 H2 TIP3 77 27.374 49.559 42.420 1.00 0.00 WT1 H ATOM 3364 OH2 TIP3 78 61.609 44.422 8.467 1.00 0.00 WT1 O ATOM 3365 H1 TIP3 78 61.867 44.893 9.259 1.00 0.00 WT1 H ATOM 3366 H2 TIP3 78 61.740 43.499 8.683 1.00 0.00 WT1 H ATOM 3367 OH2 TIP3 79 81.317 14.586 3.969 1.00 0.00 WT1 O ATOM 3368 H1 TIP3 79 82.035 14.985 4.460 1.00 0.00 WT1 H ATOM 3369 H2 TIP3 79 80.715 15.309 3.793 1.00 0.00 WT1 H ATOM 3370 OH2 TIP3 80 86.686 83.540 -7.075 1.00 0.00 WT1 O ATOM 3371 H1 TIP3 80 87.180 84.029 -6.417 1.00 0.00 WT1 H ATOM 3372 H2 TIP3 80 87.137 82.698 -7.138 1.00 0.00 WT1 H ATOM 3373 OH2 TIP3 81 78.710 27.370 34.460 1.00 0.00 WT1 O ATOM 3374 H1 TIP3 81 78.556 28.311 34.384 1.00 0.00 WT1 H ATOM 3375 H2 TIP3 81 77.936 27.036 34.914 1.00 0.00 WT1 H ATOM 3376 OH2 TIP3 82 76.485 54.356 55.973 1.00 0.00 WT1 O ATOM 3377 H1 TIP3 82 76.678 54.095 56.874 1.00 0.00 WT1 H ATOM 3378 H2 TIP3 82 75.575 54.653 55.999 1.00 0.00 WT1 H ATOM 3379 OH2 TIP3 83 56.998 12.220 47.780 1.00 0.00 WT1 O ATOM 3380 H1 TIP3 83 57.929 12.211 48.001 1.00 0.00 WT1 H ATOM 3381 H2 TIP3 83 56.565 11.849 48.548 1.00 0.00 WT1 H ATOM 3382 OH2 TIP3 84 28.832 9.243 40.060 1.00 0.00 WT1 O ATOM 3383 H1 TIP3 84 28.845 8.670 39.293 1.00 0.00 WT1 H ATOM 3384 H2 TIP3 84 28.583 10.101 39.715 1.00 0.00 WT1 H ATOM 3385 OH2 TIP3 85 39.215 82.543 53.606 1.00 0.00 WT1 O ATOM 3386 H1 TIP3 85 39.764 83.297 53.390 1.00 0.00 WT1 H ATOM 3387 H2 TIP3 85 38.846 82.753 54.464 1.00 0.00 WT1 H ATOM 3388 OH2 TIP3 86 76.172 59.274 50.254 1.00 0.00 WT1 O ATOM 3389 H1 TIP3 86 76.192 58.404 49.854 1.00 0.00 WT1 H ATOM 3390 H2 TIP3 86 75.251 59.531 50.222 1.00 0.00 WT1 H ATOM 3391 OH2 TIP3 87 80.816 16.497 -7.882 1.00 0.00 WT1 O ATOM 3392 H1 TIP3 87 81.072 16.672 -8.787 1.00 0.00 WT1 H ATOM 3393 H2 TIP3 87 81.644 16.445 -7.404 1.00 0.00 WT1 H ATOM 3394 OH2 TIP3 88 24.118 71.516 35.400 1.00 0.00 WT1 O ATOM 3395 H1 TIP3 88 24.018 71.368 36.341 1.00 0.00 WT1 H ATOM 3396 H2 TIP3 88 24.431 72.417 35.331 1.00 0.00 WT1 H ATOM 3397 OH2 TIP3 89 55.029 81.684 -16.157 1.00 0.00 WT1 O ATOM 3398 H1 TIP3 89 54.532 81.076 -15.609 1.00 0.00 WT1 H ATOM 3399 H2 TIP3 89 55.600 81.122 -16.681 1.00 0.00 WT1 H ATOM 3400 OH2 TIP3 90 75.847 8.996 -3.853 1.00 0.00 WT1 O ATOM 3401 H1 TIP3 90 75.374 9.522 -4.498 1.00 0.00 WT1 H ATOM 3402 H2 TIP3 90 75.842 9.529 -3.058 1.00 0.00 WT1 H ATOM 3403 OH2 TIP3 91 40.699 19.207 -7.484 1.00 0.00 WT1 O ATOM 3404 H1 TIP3 91 40.248 19.919 -7.030 1.00 0.00 WT1 H ATOM 3405 H2 TIP3 91 40.835 19.537 -8.372 1.00 0.00 WT1 H ATOM 3406 OH2 TIP3 92 80.931 41.152 11.380 1.00 0.00 WT1 O ATOM 3407 H1 TIP3 92 81.666 40.970 11.966 1.00 0.00 WT1 H ATOM 3408 H2 TIP3 92 81.249 40.906 10.512 1.00 0.00 WT1 H ATOM 3409 OH2 TIP3 93 45.152 90.925 47.957 1.00 0.00 WT1 O ATOM 3410 H1 TIP3 93 45.782 90.748 48.655 1.00 0.00 WT1 H ATOM 3411 H2 TIP3 93 45.473 90.419 47.210 1.00 0.00 WT1 H ATOM 3412 OH2 TIP3 94 84.307 45.090 28.386 1.00 0.00 WT1 O ATOM 3413 H1 TIP3 94 84.984 44.550 28.793 1.00 0.00 WT1 H ATOM 3414 H2 TIP3 94 83.495 44.602 28.525 1.00 0.00 WT1 H ATOM 3415 OH2 TIP3 95 42.858 70.774 59.002 1.00 0.00 WT1 O ATOM 3416 H1 TIP3 95 42.984 70.635 58.064 1.00 0.00 WT1 H ATOM 3417 H2 TIP3 95 41.935 71.014 59.087 1.00 0.00 WT1 H ATOM 3418 OH2 TIP3 96 51.409 56.767 -8.010 1.00 0.00 WT1 O ATOM 3419 H1 TIP3 96 51.324 57.687 -8.261 1.00 0.00 WT1 H ATOM 3420 H2 TIP3 96 51.915 56.370 -8.719 1.00 0.00 WT1 H ATOM 3421 OH2 TIP3 97 84.872 73.535 10.726 1.00 0.00 WT1 O ATOM 3422 H1 TIP3 97 84.872 72.704 10.250 1.00 0.00 WT1 H ATOM 3423 H2 TIP3 97 85.751 73.890 10.589 1.00 0.00 WT1 H ATOM 3424 OH2 TIP3 98 27.621 45.819 18.308 1.00 0.00 WT1 O ATOM 3425 H1 TIP3 98 28.027 46.645 18.572 1.00 0.00 WT1 H ATOM 3426 H2 TIP3 98 28.230 45.444 17.673 1.00 0.00 WT1 H ATOM 3427 OH2 TIP3 99 71.052 16.080 34.993 1.00 0.00 WT1 O ATOM 3428 H1 TIP3 99 70.630 16.684 35.604 1.00 0.00 WT1 H ATOM 3429 H2 TIP3 99 71.109 16.570 34.173 1.00 0.00 WT1 H ATOM 3430 OH2 TIP3 100 66.958 69.614 52.740 1.00 0.00 WT1 O ATOM 3431 H1 TIP3 100 67.814 69.185 52.719 1.00 0.00 WT1 H ATOM 3432 H2 TIP3 100 66.638 69.553 51.840 1.00 0.00 WT1 H ATOM 3433 OH2 TIP3 101 26.977 45.519 47.987 1.00 0.00 WT1 O ATOM 3434 H1 TIP3 101 27.833 45.934 47.881 1.00 0.00 WT1 H ATOM 3435 H2 TIP3 101 26.348 46.208 47.772 1.00 0.00 WT1 H ATOM 3436 OH2 TIP3 102 82.510 8.136 47.604 1.00 0.00 WT1 O ATOM 3437 H1 TIP3 102 83.143 8.823 47.394 1.00 0.00 WT1 H ATOM 3438 H2 TIP3 102 82.235 7.795 46.753 1.00 0.00 WT1 H ATOM 3439 OH2 TIP3 103 54.316 72.789 -16.797 1.00 0.00 WT1 O ATOM 3440 H1 TIP3 103 54.665 73.264 -16.043 1.00 0.00 WT1 H ATOM 3441 H2 TIP3 103 54.591 73.306 -17.555 1.00 0.00 WT1 H ATOM 3442 OH2 TIP3 104 27.123 79.498 41.331 1.00 0.00 WT1 O ATOM 3443 H1 TIP3 104 27.944 79.468 41.821 1.00 0.00 WT1 H ATOM 3444 H2 TIP3 104 27.383 79.365 40.419 1.00 0.00 WT1 H ATOM 3445 OH2 TIP3 105 59.183 11.524 10.434 1.00 0.00 WT1 O ATOM 3446 H1 TIP3 105 59.389 10.891 11.122 1.00 0.00 WT1 H ATOM 3447 H2 TIP3 105 58.882 10.990 9.699 1.00 0.00 WT1 H ATOM 3448 OH2 TIP3 106 72.946 7.669 -20.015 1.00 0.00 WT1 O ATOM 3449 H1 TIP3 106 72.715 7.070 -19.305 1.00 0.00 WT1 H ATOM 3450 H2 TIP3 106 73.879 7.842 -19.889 1.00 0.00 WT1 H ATOM 3451 OH2 TIP3 107 23.401 20.558 -0.761 1.00 0.00 WT1 O ATOM 3452 H1 TIP3 107 24.338 20.753 -0.778 1.00 0.00 WT1 H ATOM 3453 H2 TIP3 107 23.231 20.273 0.137 1.00 0.00 WT1 H ATOM 3454 OH2 TIP3 108 73.173 42.097 20.400 1.00 0.00 WT1 O ATOM 3455 H1 TIP3 108 72.238 42.013 20.588 1.00 0.00 WT1 H ATOM 3456 H2 TIP3 108 73.292 41.639 19.568 1.00 0.00 WT1 H ATOM 3457 OH2 TIP3 109 85.658 71.051 17.605 1.00 0.00 WT1 O ATOM 3458 H1 TIP3 109 86.215 70.314 17.854 1.00 0.00 WT1 H ATOM 3459 H2 TIP3 109 85.510 71.527 18.422 1.00 0.00 WT1 H ATOM 3460 OH2 TIP3 110 34.545 2.973 13.997 1.00 0.00 WT1 O ATOM 3461 H1 TIP3 110 34.685 3.609 14.698 1.00 0.00 WT1 H ATOM 3462 H2 TIP3 110 34.855 2.143 14.359 1.00 0.00 WT1 H ATOM 3463 OH2 TIP3 111 86.385 42.803 44.458 1.00 0.00 WT1 O ATOM 3464 H1 TIP3 111 85.564 42.365 44.681 1.00 0.00 WT1 H ATOM 3465 H2 TIP3 111 86.940 42.679 45.227 1.00 0.00 WT1 H ATOM 3466 OH2 TIP3 112 29.998 42.370 8.356 1.00 0.00 WT1 O ATOM 3467 H1 TIP3 112 29.390 43.004 7.976 1.00 0.00 WT1 H ATOM 3468 H2 TIP3 112 30.377 41.918 7.602 1.00 0.00 WT1 H ATOM 3469 OH2 TIP3 113 78.088 51.762 21.060 1.00 0.00 WT1 O ATOM 3470 H1 TIP3 113 77.162 52.000 21.109 1.00 0.00 WT1 H ATOM 3471 H2 TIP3 113 78.547 52.503 21.457 1.00 0.00 WT1 H ATOM 3472 OH2 TIP3 114 89.128 40.647 36.555 1.00 0.00 WT1 O ATOM 3473 H1 TIP3 114 89.584 41.488 36.531 1.00 0.00 WT1 H ATOM 3474 H2 TIP3 114 89.264 40.275 35.684 1.00 0.00 WT1 H ATOM 3475 OH2 TIP3 115 59.759 8.778 5.011 1.00 0.00 WT1 O ATOM 3476 H1 TIP3 115 60.078 9.670 4.874 1.00 0.00 WT1 H ATOM 3477 H2 TIP3 115 58.839 8.887 5.253 1.00 0.00 WT1 H ATOM 3478 OH2 TIP3 116 69.083 89.430 -13.927 1.00 0.00 WT1 O ATOM 3479 H1 TIP3 116 68.831 88.571 -14.264 1.00 0.00 WT1 H ATOM 3480 H2 TIP3 116 68.325 89.721 -13.420 1.00 0.00 WT1 H ATOM 3481 OH2 TIP3 117 79.376 47.494 2.105 1.00 0.00 WT1 O ATOM 3482 H1 TIP3 117 79.056 48.394 2.172 1.00 0.00 WT1 H ATOM 3483 H2 TIP3 117 80.181 47.563 1.592 1.00 0.00 WT1 H ATOM 3484 OH2 TIP3 118 45.120 35.595 -1.500 1.00 0.00 WT1 O ATOM 3485 H1 TIP3 118 45.046 36.510 -1.229 1.00 0.00 WT1 H ATOM 3486 H2 TIP3 118 45.220 35.109 -0.681 1.00 0.00 WT1 H ATOM 3487 OH2 TIP3 119 76.570 57.333 33.056 1.00 0.00 WT1 O ATOM 3488 H1 TIP3 119 76.190 56.915 32.283 1.00 0.00 WT1 H ATOM 3489 H2 TIP3 119 76.790 58.218 32.767 1.00 0.00 WT1 H ATOM 3490 OH2 TIP3 120 67.197 52.815 -1.764 1.00 0.00 WT1 O ATOM 3491 H1 TIP3 120 67.122 53.140 -0.866 1.00 0.00 WT1 H ATOM 3492 H2 TIP3 120 66.488 53.251 -2.236 1.00 0.00 WT1 H ATOM 3493 OH2 TIP3 121 89.506 62.179 32.181 1.00 0.00 WT1 O ATOM 3494 H1 TIP3 121 89.364 62.019 33.114 1.00 0.00 WT1 H ATOM 3495 H2 TIP3 121 88.647 62.442 31.850 1.00 0.00 WT1 H ATOM 3496 OH2 TIP3 122 32.971 5.510 42.999 1.00 0.00 WT1 O ATOM 3497 H1 TIP3 122 33.038 6.067 42.224 1.00 0.00 WT1 H ATOM 3498 H2 TIP3 122 33.788 5.012 43.008 1.00 0.00 WT1 H ATOM 3499 OH2 TIP3 123 77.218 68.441 18.386 1.00 0.00 WT1 O ATOM 3500 H1 TIP3 123 76.403 68.128 18.777 1.00 0.00 WT1 H ATOM 3501 H2 TIP3 123 76.970 68.718 17.504 1.00 0.00 WT1 H ATOM 3502 OH2 TIP3 124 23.113 35.954 41.933 1.00 0.00 WT1 O ATOM 3503 H1 TIP3 124 22.994 35.867 42.879 1.00 0.00 WT1 H ATOM 3504 H2 TIP3 124 23.558 36.795 41.824 1.00 0.00 WT1 H ATOM 3505 OH2 TIP3 125 77.409 17.780 3.960 1.00 0.00 WT1 O ATOM 3506 H1 TIP3 125 77.385 18.099 3.057 1.00 0.00 WT1 H ATOM 3507 H2 TIP3 125 76.607 18.119 4.356 1.00 0.00 WT1 H ATOM 3508 OH2 TIP3 126 59.370 3.313 17.591 1.00 0.00 WT1 O ATOM 3509 H1 TIP3 126 60.044 3.440 18.258 1.00 0.00 WT1 H ATOM 3510 H2 TIP3 126 59.856 3.096 16.795 1.00 0.00 WT1 H ATOM 3511 OH2 TIP3 127 75.464 15.391 59.564 1.00 0.00 WT1 O ATOM 3512 H1 TIP3 127 75.463 14.456 59.358 1.00 0.00 WT1 H ATOM 3513 H2 TIP3 127 74.538 15.636 59.570 1.00 0.00 WT1 H ATOM 3514 OH2 TIP3 128 77.127 3.422 39.670 1.00 0.00 WT1 O ATOM 3515 H1 TIP3 128 77.931 3.692 39.225 1.00 0.00 WT1 H ATOM 3516 H2 TIP3 128 76.919 2.567 39.292 1.00 0.00 WT1 H ATOM 3517 OH2 TIP3 129 26.318 36.624 -3.524 1.00 0.00 WT1 O ATOM 3518 H1 TIP3 129 26.977 36.135 -4.017 1.00 0.00 WT1 H ATOM 3519 H2 TIP3 129 26.565 37.542 -3.639 1.00 0.00 WT1 H ATOM 3520 OH2 TIP3 130 24.261 35.397 21.909 1.00 0.00 WT1 O ATOM 3521 H1 TIP3 130 25.187 35.198 22.046 1.00 0.00 WT1 H ATOM 3522 H2 TIP3 130 24.062 36.069 22.561 1.00 0.00 WT1 H ATOM 3523 OH2 TIP3 131 46.513 53.333 1.215 1.00 0.00 WT1 O ATOM 3524 H1 TIP3 131 46.906 54.164 0.948 1.00 0.00 WT1 H ATOM 3525 H2 TIP3 131 46.855 53.177 2.095 1.00 0.00 WT1 H ATOM 3526 OH2 TIP3 132 89.752 52.987 3.796 1.00 0.00 WT1 O ATOM 3527 H1 TIP3 132 89.169 53.713 4.016 1.00 0.00 WT1 H ATOM 3528 H2 TIP3 132 90.416 52.994 4.486 1.00 0.00 WT1 H ATOM 3529 OH2 TIP3 133 59.851 28.390 62.361 1.00 0.00 WT1 O ATOM 3530 H1 TIP3 133 59.672 29.272 62.689 1.00 0.00 WT1 H ATOM 3531 H2 TIP3 133 60.806 28.333 62.336 1.00 0.00 WT1 H ATOM 3532 OH2 TIP3 134 27.216 2.664 37.468 1.00 0.00 WT1 O ATOM 3533 H1 TIP3 134 27.829 2.278 38.093 1.00 0.00 WT1 H ATOM 3534 H2 TIP3 134 27.773 3.067 36.802 1.00 0.00 WT1 H ATOM 3535 OH2 TIP3 135 73.175 42.559 33.007 1.00 0.00 WT1 O ATOM 3536 H1 TIP3 135 73.280 42.047 32.206 1.00 0.00 WT1 H ATOM 3537 H2 TIP3 135 73.023 43.454 32.702 1.00 0.00 WT1 H ATOM 3538 OH2 TIP3 136 48.436 22.667 -16.467 1.00 0.00 WT1 O ATOM 3539 H1 TIP3 136 49.293 23.092 -16.505 1.00 0.00 WT1 H ATOM 3540 H2 TIP3 136 48.604 21.762 -16.732 1.00 0.00 WT1 H ATOM 3541 OH2 TIP3 137 43.677 20.096 3.032 1.00 0.00 WT1 O ATOM 3542 H1 TIP3 137 44.173 20.026 3.848 1.00 0.00 WT1 H ATOM 3543 H2 TIP3 137 42.951 20.685 3.242 1.00 0.00 WT1 H ATOM 3544 OH2 TIP3 138 25.941 34.199 43.088 1.00 0.00 WT1 O ATOM 3545 H1 TIP3 138 25.022 34.441 43.198 1.00 0.00 WT1 H ATOM 3546 H2 TIP3 138 25.916 33.288 42.796 1.00 0.00 WT1 H ATOM 3547 OH2 TIP3 139 82.982 30.952 38.376 1.00 0.00 WT1 O ATOM 3548 H1 TIP3 139 83.674 31.605 38.489 1.00 0.00 WT1 H ATOM 3549 H2 TIP3 139 83.167 30.290 39.042 1.00 0.00 WT1 H ATOM 3550 OH2 TIP3 140 62.565 24.408 40.962 1.00 0.00 WT1 O ATOM 3551 H1 TIP3 140 62.473 23.885 40.165 1.00 0.00 WT1 H ATOM 3552 H2 TIP3 140 62.975 23.815 41.592 1.00 0.00 WT1 H ATOM 3553 OH2 TIP3 141 74.306 84.565 55.416 1.00 0.00 WT1 O ATOM 3554 H1 TIP3 141 75.084 84.018 55.310 1.00 0.00 WT1 H ATOM 3555 H2 TIP3 141 73.850 84.189 56.170 1.00 0.00 WT1 H ATOM 3556 OH2 TIP3 142 70.036 53.304 33.257 1.00 0.00 WT1 O ATOM 3557 H1 TIP3 142 69.227 53.300 33.768 1.00 0.00 WT1 H ATOM 3558 H2 TIP3 142 70.504 54.085 33.553 1.00 0.00 WT1 H ATOM 3559 OH2 TIP3 143 65.684 87.484 1.012 1.00 0.00 WT1 O ATOM 3560 H1 TIP3 143 65.414 87.687 1.908 1.00 0.00 WT1 H ATOM 3561 H2 TIP3 143 66.641 87.497 1.041 1.00 0.00 WT1 H ATOM 3562 OH2 TIP3 144 44.550 60.931 -11.969 1.00 0.00 WT1 O ATOM 3563 H1 TIP3 144 44.317 61.057 -12.889 1.00 0.00 WT1 H ATOM 3564 H2 TIP3 144 44.289 60.031 -11.776 1.00 0.00 WT1 H ATOM 3565 OH2 TIP3 145 90.514 84.811 8.632 1.00 0.00 WT1 O ATOM 3566 H1 TIP3 145 91.079 84.217 9.125 1.00 0.00 WT1 H ATOM 3567 H2 TIP3 145 89.653 84.392 8.647 1.00 0.00 WT1 H ATOM 3568 OH2 TIP3 146 90.663 61.138 22.845 1.00 0.00 WT1 O ATOM 3569 H1 TIP3 146 90.304 61.279 21.969 1.00 0.00 WT1 H ATOM 3570 H2 TIP3 146 90.040 60.546 23.267 1.00 0.00 WT1 H ATOM 3571 OH2 TIP3 147 76.613 14.953 -3.151 1.00 0.00 WT1 O ATOM 3572 H1 TIP3 147 76.656 15.907 -3.223 1.00 0.00 WT1 H ATOM 3573 H2 TIP3 147 75.772 14.782 -2.727 1.00 0.00 WT1 H ATOM 3574 OH2 TIP3 148 72.886 27.874 47.728 1.00 0.00 WT1 O ATOM 3575 H1 TIP3 148 73.778 27.852 47.381 1.00 0.00 WT1 H ATOM 3576 H2 TIP3 148 72.616 26.956 47.758 1.00 0.00 WT1 H ATOM 3577 OH2 TIP3 149 46.226 31.009 51.777 1.00 0.00 WT1 O ATOM 3578 H1 TIP3 149 45.821 31.197 50.930 1.00 0.00 WT1 H ATOM 3579 H2 TIP3 149 47.086 31.426 51.730 1.00 0.00 WT1 H ATOM 3580 OH2 TIP3 150 33.954 27.144 -13.193 1.00 0.00 WT1 O ATOM 3581 H1 TIP3 150 34.344 26.344 -13.545 1.00 0.00 WT1 H ATOM 3582 H2 TIP3 150 34.575 27.835 -13.421 1.00 0.00 WT1 H ATOM 3583 OH2 TIP3 151 40.002 31.912 62.933 1.00 0.00 WT1 O ATOM 3584 H1 TIP3 151 40.116 31.692 62.009 1.00 0.00 WT1 H ATOM 3585 H2 TIP3 151 39.112 31.626 63.140 1.00 0.00 WT1 H ATOM 3586 OH2 TIP3 152 35.768 27.332 -8.720 1.00 0.00 WT1 O ATOM 3587 H1 TIP3 152 36.161 26.473 -8.561 1.00 0.00 WT1 H ATOM 3588 H2 TIP3 152 36.248 27.926 -8.143 1.00 0.00 WT1 H ATOM 3589 OH2 TIP3 153 58.540 11.541 27.291 1.00 0.00 WT1 O ATOM 3590 H1 TIP3 153 59.103 12.291 27.097 1.00 0.00 WT1 H ATOM 3591 H2 TIP3 153 57.755 11.924 27.680 1.00 0.00 WT1 H ATOM 3592 OH2 TIP3 154 87.694 49.481 -19.687 1.00 0.00 WT1 O ATOM 3593 H1 TIP3 154 87.348 49.901 -18.899 1.00 0.00 WT1 H ATOM 3594 H2 TIP3 154 87.496 48.552 -19.570 1.00 0.00 WT1 H ATOM 3595 OH2 TIP3 155 53.416 52.730 -2.316 1.00 0.00 WT1 O ATOM 3596 H1 TIP3 155 52.723 52.441 -1.722 1.00 0.00 WT1 H ATOM 3597 H2 TIP3 155 54.069 53.134 -1.743 1.00 0.00 WT1 H ATOM 3598 OH2 TIP3 156 47.690 58.248 6.675 1.00 0.00 WT1 O ATOM 3599 H1 TIP3 156 48.630 58.402 6.584 1.00 0.00 WT1 H ATOM 3600 H2 TIP3 156 47.287 59.091 6.467 1.00 0.00 WT1 H ATOM 3601 OH2 TIP3 157 59.225 53.508 66.622 1.00 0.00 WT1 O ATOM 3602 H1 TIP3 157 58.736 54.310 66.807 1.00 0.00 WT1 H ATOM 3603 H2 TIP3 157 58.645 52.802 66.907 1.00 0.00 WT1 H ATOM 3604 OH2 TIP3 158 77.799 5.928 -0.796 1.00 0.00 WT1 O ATOM 3605 H1 TIP3 158 77.913 5.624 0.104 1.00 0.00 WT1 H ATOM 3606 H2 TIP3 158 78.186 6.803 -0.804 1.00 0.00 WT1 H ATOM 3607 OH2 TIP3 159 60.221 27.574 37.799 1.00 0.00 WT1 O ATOM 3608 H1 TIP3 159 61.162 27.408 37.859 1.00 0.00 WT1 H ATOM 3609 H2 TIP3 159 60.043 27.610 36.859 1.00 0.00 WT1 H ATOM 3610 OH2 TIP3 160 31.698 36.184 -11.305 1.00 0.00 WT1 O ATOM 3611 H1 TIP3 160 32.167 35.501 -10.826 1.00 0.00 WT1 H ATOM 3612 H2 TIP3 160 31.622 36.905 -10.680 1.00 0.00 WT1 H ATOM 3613 OH2 TIP3 161 74.872 11.206 52.997 1.00 0.00 WT1 O ATOM 3614 H1 TIP3 161 75.536 10.607 53.337 1.00 0.00 WT1 H ATOM 3615 H2 TIP3 161 74.150 10.637 52.728 1.00 0.00 WT1 H ATOM 3616 OH2 TIP3 162 48.923 31.724 36.423 1.00 0.00 WT1 O ATOM 3617 H1 TIP3 162 49.065 30.989 37.019 1.00 0.00 WT1 H ATOM 3618 H2 TIP3 162 48.629 32.439 36.987 1.00 0.00 WT1 H ATOM 3619 OH2 TIP3 163 40.712 55.890 15.598 1.00 0.00 WT1 O ATOM 3620 H1 TIP3 163 41.420 55.327 15.909 1.00 0.00 WT1 H ATOM 3621 H2 TIP3 163 40.506 56.451 16.345 1.00 0.00 WT1 H ATOM 3622 OH2 TIP3 164 53.282 31.885 52.934 1.00 0.00 WT1 O ATOM 3623 H1 TIP3 164 53.265 31.126 52.351 1.00 0.00 WT1 H ATOM 3624 H2 TIP3 164 53.147 32.635 52.355 1.00 0.00 WT1 H ATOM 3625 OH2 TIP3 165 33.346 16.122 65.203 1.00 0.00 WT1 O ATOM 3626 H1 TIP3 165 32.839 16.925 65.077 1.00 0.00 WT1 H ATOM 3627 H2 TIP3 165 33.929 16.086 64.445 1.00 0.00 WT1 H ATOM 3628 OH2 TIP3 166 48.750 44.114 10.373 1.00 0.00 WT1 O ATOM 3629 H1 TIP3 166 49.389 44.452 11.000 1.00 0.00 WT1 H ATOM 3630 H2 TIP3 166 48.261 43.451 10.861 1.00 0.00 WT1 H ATOM 3631 OH2 TIP3 167 84.175 46.980 67.522 1.00 0.00 WT1 O ATOM 3632 H1 TIP3 167 84.697 47.150 66.738 1.00 0.00 WT1 H ATOM 3633 H2 TIP3 167 83.323 46.700 67.188 1.00 0.00 WT1 H ATOM 3634 OH2 TIP3 168 56.248 61.800 60.237 1.00 0.00 WT1 O ATOM 3635 H1 TIP3 168 55.713 61.625 59.463 1.00 0.00 WT1 H ATOM 3636 H2 TIP3 168 55.966 61.146 60.877 1.00 0.00 WT1 H ATOM 3637 OH2 TIP3 169 67.355 9.529 32.836 1.00 0.00 WT1 O ATOM 3638 H1 TIP3 169 66.519 9.920 33.090 1.00 0.00 WT1 H ATOM 3639 H2 TIP3 169 67.955 10.271 32.766 1.00 0.00 WT1 H ATOM 3640 OH2 TIP3 170 39.676 73.281 22.325 1.00 0.00 WT1 O ATOM 3641 H1 TIP3 170 39.479 72.388 22.610 1.00 0.00 WT1 H ATOM 3642 H2 TIP3 170 40.608 73.392 22.510 1.00 0.00 WT1 H ATOM 3643 OH2 TIP3 171 71.726 61.439 19.760 1.00 0.00 WT1 O ATOM 3644 H1 TIP3 171 72.651 61.653 19.637 1.00 0.00 WT1 H ATOM 3645 H2 TIP3 171 71.733 60.635 20.279 1.00 0.00 WT1 H ATOM 3646 OH2 TIP3 172 23.383 40.027 46.341 1.00 0.00 WT1 O ATOM 3647 H1 TIP3 172 23.830 40.832 46.081 1.00 0.00 WT1 H ATOM 3648 H2 TIP3 172 22.546 40.055 45.877 1.00 0.00 WT1 H ATOM 3649 OH2 TIP3 173 61.727 32.852 17.657 1.00 0.00 WT1 O ATOM 3650 H1 TIP3 173 61.638 33.282 18.507 1.00 0.00 WT1 H ATOM 3651 H2 TIP3 173 61.017 33.216 17.128 1.00 0.00 WT1 H ATOM 3652 OH2 TIP3 174 74.901 48.748 -19.718 1.00 0.00 WT1 O ATOM 3653 H1 TIP3 174 74.832 49.498 -19.128 1.00 0.00 WT1 H ATOM 3654 H2 TIP3 174 74.083 48.758 -20.215 1.00 0.00 WT1 H ATOM 3655 OH2 TIP3 176 21.078 51.945 10.175 1.00 0.00 WT1 O ATOM 3656 H1 TIP3 176 21.368 51.518 10.981 1.00 0.00 WT1 H ATOM 3657 H2 TIP3 176 21.647 52.710 10.090 1.00 0.00 WT1 H ATOM 3658 OH2 TIP3 177 86.267 86.082 39.593 1.00 0.00 WT1 O ATOM 3659 H1 TIP3 177 86.110 85.203 39.249 1.00 0.00 WT1 H ATOM 3660 H2 TIP3 177 85.449 86.317 40.031 1.00 0.00 WT1 H ATOM 3661 OH2 TIP3 178 21.577 36.796 1.604 1.00 0.00 WT1 O ATOM 3662 H1 TIP3 178 22.054 36.272 2.248 1.00 0.00 WT1 H ATOM 3663 H2 TIP3 178 21.911 37.685 1.724 1.00 0.00 WT1 H ATOM 3664 OH2 TIP3 179 36.770 37.610 25.433 1.00 0.00 WT1 O ATOM 3665 H1 TIP3 179 37.272 37.132 26.093 1.00 0.00 WT1 H ATOM 3666 H2 TIP3 179 37.330 38.348 25.194 1.00 0.00 WT1 H ATOM 3667 OH2 TIP3 180 39.482 28.706 -0.591 1.00 0.00 WT1 O ATOM 3668 H1 TIP3 180 38.902 28.686 -1.353 1.00 0.00 WT1 H ATOM 3669 H2 TIP3 180 38.970 29.144 0.088 1.00 0.00 WT1 H ATOM 3670 OH2 TIP3 181 31.337 19.298 50.409 1.00 0.00 WT1 O ATOM 3671 H1 TIP3 181 31.854 18.747 50.998 1.00 0.00 WT1 H ATOM 3672 H2 TIP3 181 30.479 18.875 50.377 1.00 0.00 WT1 H ATOM 3673 OH2 TIP3 182 40.895 42.409 -13.183 1.00 0.00 WT1 O ATOM 3674 H1 TIP3 182 40.059 42.702 -12.821 1.00 0.00 WT1 H ATOM 3675 H2 TIP3 182 41.512 42.487 -12.455 1.00 0.00 WT1 H ATOM 3676 OH2 TIP3 183 42.956 87.189 24.533 1.00 0.00 WT1 O ATOM 3677 H1 TIP3 183 43.586 87.564 25.149 1.00 0.00 WT1 H ATOM 3678 H2 TIP3 183 43.477 86.600 23.987 1.00 0.00 WT1 H ATOM 3679 OH2 TIP3 184 35.920 53.525 -0.699 1.00 0.00 WT1 O ATOM 3680 H1 TIP3 184 36.303 54.369 -0.938 1.00 0.00 WT1 H ATOM 3681 H2 TIP3 184 36.666 52.926 -0.658 1.00 0.00 WT1 H ATOM 3682 OH2 TIP3 185 43.112 9.823 -8.643 1.00 0.00 WT1 O ATOM 3683 H1 TIP3 185 42.619 10.324 -7.993 1.00 0.00 WT1 H ATOM 3684 H2 TIP3 185 44.020 9.871 -8.343 1.00 0.00 WT1 H ATOM 3685 OH2 TIP3 186 71.975 21.930 52.214 1.00 0.00 WT1 O ATOM 3686 H1 TIP3 186 71.173 22.036 51.701 1.00 0.00 WT1 H ATOM 3687 H2 TIP3 186 72.144 20.988 52.204 1.00 0.00 WT1 H ATOM 3688 OH2 TIP3 187 52.860 33.709 44.341 1.00 0.00 WT1 O ATOM 3689 H1 TIP3 187 53.347 33.077 43.811 1.00 0.00 WT1 H ATOM 3690 H2 TIP3 187 52.064 33.881 43.837 1.00 0.00 WT1 H ATOM 3691 OH2 TIP3 188 34.115 0.627 63.909 1.00 0.00 WT1 O ATOM 3692 H1 TIP3 188 34.836 1.248 64.007 1.00 0.00 WT1 H ATOM 3693 H2 TIP3 188 34.539 -0.230 63.869 1.00 0.00 WT1 H ATOM 3694 OH2 TIP3 190 28.252 4.056 -0.000 1.00 0.00 WT1 O ATOM 3695 H1 TIP3 190 28.888 3.856 0.687 1.00 0.00 WT1 H ATOM 3696 H2 TIP3 190 27.408 4.070 0.451 1.00 0.00 WT1 H ATOM 3697 OH2 TIP3 191 65.261 19.538 -0.999 1.00 0.00 WT1 O ATOM 3698 H1 TIP3 191 65.836 19.740 -0.262 1.00 0.00 WT1 H ATOM 3699 H2 TIP3 191 65.195 18.583 -0.998 1.00 0.00 WT1 H ATOM 3700 OH2 TIP3 192 27.305 61.221 15.260 1.00 0.00 WT1 O ATOM 3701 H1 TIP3 192 26.583 60.598 15.183 1.00 0.00 WT1 H ATOM 3702 H2 TIP3 192 28.091 60.700 15.099 1.00 0.00 WT1 H ATOM 3703 OH2 TIP3 193 26.861 11.571 44.326 1.00 0.00 WT1 O ATOM 3704 H1 TIP3 193 26.456 10.872 44.839 1.00 0.00 WT1 H ATOM 3705 H2 TIP3 193 27.576 11.890 44.877 1.00 0.00 WT1 H ATOM 3706 OH2 TIP3 195 87.092 39.790 11.875 1.00 0.00 WT1 O ATOM 3707 H1 TIP3 195 87.227 40.656 11.491 1.00 0.00 WT1 H ATOM 3708 H2 TIP3 195 87.936 39.349 11.778 1.00 0.00 WT1 H ATOM 3709 OH2 TIP3 196 73.113 62.224 66.155 1.00 0.00 WT1 O ATOM 3710 H1 TIP3 196 73.398 61.563 65.524 1.00 0.00 WT1 H ATOM 3711 H2 TIP3 196 73.730 62.145 66.882 1.00 0.00 WT1 H ATOM 3712 OH2 TIP3 198 68.534 93.268 12.542 1.00 0.00 WT1 O ATOM 3713 H1 TIP3 198 69.412 92.889 12.526 1.00 0.00 WT1 H ATOM 3714 H2 TIP3 198 68.215 93.174 11.644 1.00 0.00 WT1 H ATOM 3715 OH2 TIP3 199 64.422 37.560 -0.142 1.00 0.00 WT1 O ATOM 3716 H1 TIP3 199 64.792 38.342 0.268 1.00 0.00 WT1 H ATOM 3717 H2 TIP3 199 64.277 36.955 0.585 1.00 0.00 WT1 H ATOM 3718 OH2 TIP3 200 51.645 15.208 14.725 1.00 0.00 WT1 O ATOM 3719 H1 TIP3 200 52.522 15.589 14.666 1.00 0.00 WT1 H ATOM 3720 H2 TIP3 200 51.065 15.959 14.850 1.00 0.00 WT1 H ATOM 3721 OH2 TIP3 201 77.905 48.006 -15.225 1.00 0.00 WT1 O ATOM 3722 H1 TIP3 201 77.953 48.303 -14.316 1.00 0.00 WT1 H ATOM 3723 H2 TIP3 201 78.616 47.371 -15.308 1.00 0.00 WT1 H ATOM 3724 OH2 TIP3 202 89.509 43.360 66.016 1.00 0.00 WT1 O ATOM 3725 H1 TIP3 202 89.835 42.707 66.635 1.00 0.00 WT1 H ATOM 3726 H2 TIP3 202 89.442 44.165 66.530 1.00 0.00 WT1 H ATOM 3727 OH2 TIP3 203 55.712 42.123 -18.360 1.00 0.00 WT1 O ATOM 3728 H1 TIP3 203 55.313 42.881 -18.786 1.00 0.00 WT1 H ATOM 3729 H2 TIP3 203 56.631 42.365 -18.251 1.00 0.00 WT1 H ATOM 3730 OH2 TIP3 204 57.285 85.631 -12.220 1.00 0.00 WT1 O ATOM 3731 H1 TIP3 204 58.240 85.629 -12.281 1.00 0.00 WT1 H ATOM 3732 H2 TIP3 204 57.102 85.385 -11.313 1.00 0.00 WT1 H ATOM 3733 OH2 TIP3 205 71.561 49.920 37.349 1.00 0.00 WT1 O ATOM 3734 H1 TIP3 205 70.640 49.825 37.109 1.00 0.00 WT1 H ATOM 3735 H2 TIP3 205 71.566 50.603 38.019 1.00 0.00 WT1 H ATOM 3736 OH2 TIP3 206 34.767 52.468 1.502 1.00 0.00 WT1 O ATOM 3737 H1 TIP3 206 35.453 51.949 1.923 1.00 0.00 WT1 H ATOM 3738 H2 TIP3 206 35.110 52.656 0.629 1.00 0.00 WT1 H ATOM 3739 OH2 TIP3 207 54.815 21.005 24.676 1.00 0.00 WT1 O ATOM 3740 H1 TIP3 207 55.472 21.270 24.033 1.00 0.00 WT1 H ATOM 3741 H2 TIP3 207 54.435 21.828 24.984 1.00 0.00 WT1 H ATOM 3742 OH2 TIP3 208 40.946 42.059 10.965 1.00 0.00 WT1 O ATOM 3743 H1 TIP3 208 41.187 42.484 11.789 1.00 0.00 WT1 H ATOM 3744 H2 TIP3 208 41.063 42.739 10.302 1.00 0.00 WT1 H ATOM 3745 OH2 TIP3 209 85.568 16.723 46.854 1.00 0.00 WT1 O ATOM 3746 H1 TIP3 209 85.133 17.522 46.556 1.00 0.00 WT1 H ATOM 3747 H2 TIP3 209 84.918 16.287 47.404 1.00 0.00 WT1 H ATOM 3748 OH2 TIP3 210 90.639 48.730 34.375 1.00 0.00 WT1 O ATOM 3749 H1 TIP3 210 89.864 48.603 34.923 1.00 0.00 WT1 H ATOM 3750 H2 TIP3 210 90.824 47.862 34.017 1.00 0.00 WT1 H ATOM 3751 OH2 TIP3 211 72.280 4.467 65.236 1.00 0.00 WT1 O ATOM 3752 H1 TIP3 211 72.086 3.778 65.871 1.00 0.00 WT1 H ATOM 3753 H2 TIP3 211 71.430 4.690 64.857 1.00 0.00 WT1 H ATOM 3754 OH2 TIP3 212 67.695 19.976 38.278 1.00 0.00 WT1 O ATOM 3755 H1 TIP3 212 68.083 20.677 37.754 1.00 0.00 WT1 H ATOM 3756 H2 TIP3 212 67.448 20.401 39.100 1.00 0.00 WT1 H ATOM 3757 OH2 TIP3 213 71.717 49.389 43.860 1.00 0.00 WT1 O ATOM 3758 H1 TIP3 213 72.098 50.170 44.259 1.00 0.00 WT1 H ATOM 3759 H2 TIP3 213 70.882 49.270 44.313 1.00 0.00 WT1 H ATOM 3760 OH2 TIP3 214 50.976 84.555 19.790 1.00 0.00 WT1 O ATOM 3761 H1 TIP3 214 51.728 84.246 20.295 1.00 0.00 WT1 H ATOM 3762 H2 TIP3 214 51.024 84.071 18.966 1.00 0.00 WT1 H ATOM 3763 OH2 TIP3 215 85.563 43.140 16.477 1.00 0.00 WT1 O ATOM 3764 H1 TIP3 215 86.439 43.493 16.321 1.00 0.00 WT1 H ATOM 3765 H2 TIP3 215 85.448 43.195 17.426 1.00 0.00 WT1 H ATOM 3766 OH2 TIP3 216 51.321 70.337 40.599 1.00 0.00 WT1 O ATOM 3767 H1 TIP3 216 50.618 69.975 40.058 1.00 0.00 WT1 H ATOM 3768 H2 TIP3 216 51.556 69.625 41.194 1.00 0.00 WT1 H ATOM 3769 OH2 TIP3 217 82.526 13.254 51.501 1.00 0.00 WT1 O ATOM 3770 H1 TIP3 217 82.394 13.067 52.431 1.00 0.00 WT1 H ATOM 3771 H2 TIP3 217 81.804 12.804 51.061 1.00 0.00 WT1 H ATOM 3772 OH2 TIP3 219 47.322 31.471 15.601 1.00 0.00 WT1 O ATOM 3773 H1 TIP3 219 46.754 31.204 16.324 1.00 0.00 WT1 H ATOM 3774 H2 TIP3 219 46.837 32.166 15.158 1.00 0.00 WT1 H ATOM 3775 OH2 TIP3 220 83.441 30.799 -0.095 1.00 0.00 WT1 O ATOM 3776 H1 TIP3 220 83.226 31.163 0.764 1.00 0.00 WT1 H ATOM 3777 H2 TIP3 220 84.265 31.222 -0.335 1.00 0.00 WT1 H ATOM 3778 OH2 TIP3 221 64.980 29.132 49.879 1.00 0.00 WT1 O ATOM 3779 H1 TIP3 221 64.953 29.094 50.835 1.00 0.00 WT1 H ATOM 3780 H2 TIP3 221 65.169 30.049 49.680 1.00 0.00 WT1 H ATOM 3781 OH2 TIP3 222 38.191 33.241 -9.387 1.00 0.00 WT1 O ATOM 3782 H1 TIP3 222 38.347 33.483 -8.474 1.00 0.00 WT1 H ATOM 3783 H2 TIP3 222 38.063 34.075 -9.838 1.00 0.00 WT1 H ATOM 3784 OH2 TIP3 223 22.419 83.909 55.299 1.00 0.00 WT1 O ATOM 3785 H1 TIP3 223 22.056 83.508 56.089 1.00 0.00 WT1 H ATOM 3786 H2 TIP3 223 21.659 84.274 54.845 1.00 0.00 WT1 H ATOM 3787 OH2 TIP3 224 21.138 31.172 9.022 1.00 0.00 WT1 O ATOM 3788 H1 TIP3 224 21.519 30.696 9.759 1.00 0.00 WT1 H ATOM 3789 H2 TIP3 224 21.840 31.748 8.720 1.00 0.00 WT1 H ATOM 3790 OH2 TIP3 225 72.473 86.886 48.850 1.00 0.00 WT1 O ATOM 3791 H1 TIP3 225 71.679 86.461 49.175 1.00 0.00 WT1 H ATOM 3792 H2 TIP3 225 72.969 87.104 49.639 1.00 0.00 WT1 H ATOM 3793 OH2 TIP3 226 44.995 25.257 48.290 1.00 0.00 WT1 O ATOM 3794 H1 TIP3 226 44.389 25.492 47.586 1.00 0.00 WT1 H ATOM 3795 H2 TIP3 226 44.620 25.660 49.073 1.00 0.00 WT1 H ATOM 3796 OH2 TIP3 227 25.839 47.177 -11.151 1.00 0.00 WT1 O ATOM 3797 H1 TIP3 227 25.650 48.108 -11.037 1.00 0.00 WT1 H ATOM 3798 H2 TIP3 227 25.276 46.904 -11.875 1.00 0.00 WT1 H ATOM 3799 OH2 TIP3 228 89.397 22.050 -11.547 1.00 0.00 WT1 O ATOM 3800 H1 TIP3 228 90.258 22.414 -11.752 1.00 0.00 WT1 H ATOM 3801 H2 TIP3 228 89.485 21.711 -10.656 1.00 0.00 WT1 H ATOM 3802 OH2 TIP3 229 51.392 1.721 59.512 1.00 0.00 WT1 O ATOM 3803 H1 TIP3 229 52.176 1.189 59.376 1.00 0.00 WT1 H ATOM 3804 H2 TIP3 229 51.650 2.602 59.240 1.00 0.00 WT1 H ATOM 3805 OH2 TIP3 230 33.041 54.007 -14.780 1.00 0.00 WT1 O ATOM 3806 H1 TIP3 230 33.319 53.235 -14.288 1.00 0.00 WT1 H ATOM 3807 H2 TIP3 230 33.697 54.673 -14.575 1.00 0.00 WT1 H ATOM 3808 OH2 TIP3 231 82.981 42.732 -19.361 1.00 0.00 WT1 O ATOM 3809 H1 TIP3 231 82.391 42.854 -20.105 1.00 0.00 WT1 H ATOM 3810 H2 TIP3 231 83.795 43.158 -19.628 1.00 0.00 WT1 H ATOM 3811 OH2 TIP3 232 58.135 91.280 41.908 1.00 0.00 WT1 O ATOM 3812 H1 TIP3 232 58.007 90.402 42.269 1.00 0.00 WT1 H ATOM 3813 H2 TIP3 232 58.757 91.155 41.190 1.00 0.00 WT1 H ATOM 3814 OH2 TIP3 233 79.768 43.116 -14.517 1.00 0.00 WT1 O ATOM 3815 H1 TIP3 233 79.888 42.735 -15.387 1.00 0.00 WT1 H ATOM 3816 H2 TIP3 233 78.867 42.896 -14.281 1.00 0.00 WT1 H ATOM 3817 OH2 TIP3 234 27.150 81.009 26.625 1.00 0.00 WT1 O ATOM 3818 H1 TIP3 234 26.706 81.666 27.161 1.00 0.00 WT1 H ATOM 3819 H2 TIP3 234 27.718 80.543 27.239 1.00 0.00 WT1 H ATOM 3820 OH2 TIP3 235 36.056 61.353 -4.027 1.00 0.00 WT1 O ATOM 3821 H1 TIP3 235 35.559 62.003 -4.524 1.00 0.00 WT1 H ATOM 3822 H2 TIP3 235 35.794 61.494 -3.118 1.00 0.00 WT1 H ATOM 3823 OH2 TIP3 236 83.980 47.567 -3.718 1.00 0.00 WT1 O ATOM 3824 H1 TIP3 236 83.192 48.059 -3.490 1.00 0.00 WT1 H ATOM 3825 H2 TIP3 236 83.763 47.134 -4.543 1.00 0.00 WT1 H ATOM 3826 OH2 TIP3 237 40.356 43.993 -5.090 1.00 0.00 WT1 O ATOM 3827 H1 TIP3 237 40.052 44.141 -4.194 1.00 0.00 WT1 H ATOM 3828 H2 TIP3 237 40.834 44.791 -5.316 1.00 0.00 WT1 H ATOM 3829 OH2 TIP3 238 68.659 53.381 26.598 1.00 0.00 WT1 O ATOM 3830 H1 TIP3 238 68.502 53.841 27.422 1.00 0.00 WT1 H ATOM 3831 H2 TIP3 238 68.012 53.745 25.993 1.00 0.00 WT1 H ATOM 3832 OH2 TIP3 239 37.027 15.213 35.887 1.00 0.00 WT1 O ATOM 3833 H1 TIP3 239 37.464 16.014 36.176 1.00 0.00 WT1 H ATOM 3834 H2 TIP3 239 36.104 15.355 36.094 1.00 0.00 WT1 H ATOM 3835 OH2 TIP3 240 75.769 62.381 17.018 1.00 0.00 WT1 O ATOM 3836 H1 TIP3 240 75.393 61.638 16.547 1.00 0.00 WT1 H ATOM 3837 H2 TIP3 240 76.070 62.974 16.330 1.00 0.00 WT1 H ATOM 3838 OH2 TIP3 241 77.335 22.508 -16.760 1.00 0.00 WT1 O ATOM 3839 H1 TIP3 241 77.728 22.399 -17.626 1.00 0.00 WT1 H ATOM 3840 H2 TIP3 241 77.558 23.403 -16.506 1.00 0.00 WT1 H ATOM 3841 OH2 TIP3 242 87.410 40.095 25.029 1.00 0.00 WT1 O ATOM 3842 H1 TIP3 242 86.749 40.786 24.988 1.00 0.00 WT1 H ATOM 3843 H2 TIP3 242 87.835 40.117 24.171 1.00 0.00 WT1 H ATOM 3844 OH2 TIP3 243 73.289 48.818 18.820 1.00 0.00 WT1 O ATOM 3845 H1 TIP3 243 72.477 48.345 18.640 1.00 0.00 WT1 H ATOM 3846 H2 TIP3 243 73.983 48.210 18.567 1.00 0.00 WT1 H ATOM 3847 OH2 TIP3 244 80.804 38.110 0.674 1.00 0.00 WT1 O ATOM 3848 H1 TIP3 244 80.161 38.048 1.381 1.00 0.00 WT1 H ATOM 3849 H2 TIP3 244 81.193 38.978 0.780 1.00 0.00 WT1 H ATOM 3850 OH2 TIP3 245 34.012 15.953 -16.312 1.00 0.00 WT1 O ATOM 3851 H1 TIP3 245 33.923 16.665 -15.679 1.00 0.00 WT1 H ATOM 3852 H2 TIP3 245 34.442 15.251 -15.825 1.00 0.00 WT1 H ATOM 3853 OH2 TIP3 246 46.400 42.868 23.028 1.00 0.00 WT1 O ATOM 3854 H1 TIP3 246 46.778 42.265 22.388 1.00 0.00 WT1 H ATOM 3855 H2 TIP3 246 45.873 43.473 22.506 1.00 0.00 WT1 H ATOM 3856 OH2 TIP3 247 38.178 38.865 61.662 1.00 0.00 WT1 O ATOM 3857 H1 TIP3 247 37.311 38.580 61.951 1.00 0.00 WT1 H ATOM 3858 H2 TIP3 247 38.009 39.391 60.881 1.00 0.00 WT1 H ATOM 3859 OH2 TIP3 248 32.923 88.942 40.595 1.00 0.00 WT1 O ATOM 3860 H1 TIP3 248 33.854 88.838 40.403 1.00 0.00 WT1 H ATOM 3861 H2 TIP3 248 32.542 89.255 39.775 1.00 0.00 WT1 H ATOM 3862 OH2 TIP3 249 31.358 75.125 29.454 1.00 0.00 WT1 O ATOM 3863 H1 TIP3 249 31.961 74.764 28.804 1.00 0.00 WT1 H ATOM 3864 H2 TIP3 249 31.735 74.873 30.297 1.00 0.00 WT1 H ATOM 3865 OH2 TIP3 250 24.369 24.756 -19.602 1.00 0.00 WT1 O ATOM 3866 H1 TIP3 250 24.850 24.265 -20.269 1.00 0.00 WT1 H ATOM 3867 H2 TIP3 250 25.046 25.085 -19.011 1.00 0.00 WT1 H ATOM 3868 OH2 TIP3 251 53.653 8.737 64.564 1.00 0.00 WT1 O ATOM 3869 H1 TIP3 251 53.454 9.528 64.063 1.00 0.00 WT1 H ATOM 3870 H2 TIP3 251 54.507 8.454 64.236 1.00 0.00 WT1 H ATOM 3871 OH2 TIP3 252 67.212 93.043 -4.539 1.00 0.00 WT1 O ATOM 3872 H1 TIP3 252 67.168 93.392 -3.648 1.00 0.00 WT1 H ATOM 3873 H2 TIP3 252 66.463 93.434 -4.987 1.00 0.00 WT1 H ATOM 3874 OH2 TIP3 253 78.440 66.584 4.071 1.00 0.00 WT1 O ATOM 3875 H1 TIP3 253 78.764 65.697 3.912 1.00 0.00 WT1 H ATOM 3876 H2 TIP3 253 77.669 66.662 3.509 1.00 0.00 WT1 H ATOM 3877 OH2 TIP3 254 90.724 60.190 46.604 1.00 0.00 WT1 O ATOM 3878 H1 TIP3 254 89.940 59.645 46.536 1.00 0.00 WT1 H ATOM 3879 H2 TIP3 254 90.889 60.487 45.709 1.00 0.00 WT1 H ATOM 3880 OH2 TIP3 255 67.286 19.531 47.866 1.00 0.00 WT1 O ATOM 3881 H1 TIP3 255 67.520 20.454 47.763 1.00 0.00 WT1 H ATOM 3882 H2 TIP3 255 66.750 19.507 48.658 1.00 0.00 WT1 H ATOM 3883 OH2 TIP3 256 21.377 47.268 10.156 1.00 0.00 WT1 O ATOM 3884 H1 TIP3 256 20.849 46.687 10.703 1.00 0.00 WT1 H ATOM 3885 H2 TIP3 256 22.143 46.744 9.920 1.00 0.00 WT1 H ATOM 3886 OH2 TIP3 257 82.639 73.643 -4.398 1.00 0.00 WT1 O ATOM 3887 H1 TIP3 257 82.125 73.019 -3.884 1.00 0.00 WT1 H ATOM 3888 H2 TIP3 257 82.452 74.493 -3.999 1.00 0.00 WT1 H ATOM 3889 OH2 TIP3 258 52.529 76.479 34.895 1.00 0.00 WT1 O ATOM 3890 H1 TIP3 258 53.136 75.782 35.148 1.00 0.00 WT1 H ATOM 3891 H2 TIP3 258 52.038 76.113 34.159 1.00 0.00 WT1 H ATOM 3892 OH2 TIP3 259 38.733 72.308 4.675 1.00 0.00 WT1 O ATOM 3893 H1 TIP3 259 37.877 71.879 4.691 1.00 0.00 WT1 H ATOM 3894 H2 TIP3 259 39.264 71.807 5.294 1.00 0.00 WT1 H ATOM 3895 OH2 TIP3 260 83.720 38.660 20.838 1.00 0.00 WT1 O ATOM 3896 H1 TIP3 260 84.085 37.932 21.340 1.00 0.00 WT1 H ATOM 3897 H2 TIP3 260 83.213 38.242 20.142 1.00 0.00 WT1 H ATOM 3898 OH2 TIP3 261 45.641 4.096 55.458 1.00 0.00 WT1 O ATOM 3899 H1 TIP3 261 46.214 3.333 55.381 1.00 0.00 WT1 H ATOM 3900 H2 TIP3 261 45.570 4.433 54.565 1.00 0.00 WT1 H ATOM 3901 OH2 TIP3 262 41.451 43.229 7.534 1.00 0.00 WT1 O ATOM 3902 H1 TIP3 262 42.304 42.911 7.239 1.00 0.00 WT1 H ATOM 3903 H2 TIP3 262 40.820 42.788 6.965 1.00 0.00 WT1 H ATOM 3904 OH2 TIP3 263 63.493 54.960 28.946 1.00 0.00 WT1 O ATOM 3905 H1 TIP3 263 62.770 55.573 29.080 1.00 0.00 WT1 H ATOM 3906 H2 TIP3 263 63.128 54.277 28.383 1.00 0.00 WT1 H ATOM 3907 OH2 TIP3 264 68.619 93.725 38.472 1.00 0.00 WT1 O ATOM 3908 H1 TIP3 264 68.747 92.779 38.540 1.00 0.00 WT1 H ATOM 3909 H2 TIP3 264 67.773 93.883 38.890 1.00 0.00 WT1 H ATOM 3910 OH2 TIP3 265 48.441 66.056 58.028 1.00 0.00 WT1 O ATOM 3911 H1 TIP3 265 48.622 65.796 57.125 1.00 0.00 WT1 H ATOM 3912 H2 TIP3 265 48.313 67.004 57.984 1.00 0.00 WT1 H ATOM 3913 OH2 TIP3 266 54.611 9.556 -5.311 1.00 0.00 WT1 O ATOM 3914 H1 TIP3 266 54.006 9.105 -5.900 1.00 0.00 WT1 H ATOM 3915 H2 TIP3 266 54.560 9.064 -4.492 1.00 0.00 WT1 H ATOM 3916 OH2 TIP3 267 79.151 27.638 -17.879 1.00 0.00 WT1 O ATOM 3917 H1 TIP3 267 79.963 27.169 -17.686 1.00 0.00 WT1 H ATOM 3918 H2 TIP3 267 79.088 28.302 -17.193 1.00 0.00 WT1 H ATOM 3919 OH2 TIP3 268 63.807 15.516 57.156 1.00 0.00 WT1 O ATOM 3920 H1 TIP3 268 64.685 15.341 57.495 1.00 0.00 WT1 H ATOM 3921 H2 TIP3 268 63.272 15.655 57.938 1.00 0.00 WT1 H ATOM 3922 OH2 TIP3 269 73.548 26.543 35.198 1.00 0.00 WT1 O ATOM 3923 H1 TIP3 269 73.381 26.556 34.255 1.00 0.00 WT1 H ATOM 3924 H2 TIP3 269 73.278 27.410 35.502 1.00 0.00 WT1 H ATOM 3925 OH2 TIP3 270 50.166 38.742 44.736 1.00 0.00 WT1 O ATOM 3926 H1 TIP3 270 50.895 38.848 44.125 1.00 0.00 WT1 H ATOM 3927 H2 TIP3 270 50.227 39.500 45.317 1.00 0.00 WT1 H ATOM 3928 OH2 TIP3 271 27.899 28.121 3.070 1.00 0.00 WT1 O ATOM 3929 H1 TIP3 271 27.805 28.439 3.968 1.00 0.00 WT1 H ATOM 3930 H2 TIP3 271 27.340 28.699 2.551 1.00 0.00 WT1 H ATOM 3931 OH2 TIP3 272 89.646 65.289 17.246 1.00 0.00 WT1 O ATOM 3932 H1 TIP3 272 89.957 65.634 16.409 1.00 0.00 WT1 H ATOM 3933 H2 TIP3 272 88.856 65.795 17.435 1.00 0.00 WT1 H ATOM 3934 OH2 TIP3 273 69.592 13.662 -17.692 1.00 0.00 WT1 O ATOM 3935 H1 TIP3 273 69.508 13.120 -18.477 1.00 0.00 WT1 H ATOM 3936 H2 TIP3 273 68.796 14.192 -17.680 1.00 0.00 WT1 H ATOM 3937 OH2 TIP3 274 69.350 19.941 -4.815 1.00 0.00 WT1 O ATOM 3938 H1 TIP3 274 70.070 20.573 -4.822 1.00 0.00 WT1 H ATOM 3939 H2 TIP3 274 68.889 20.112 -3.994 1.00 0.00 WT1 H ATOM 3940 OH2 TIP3 275 33.914 1.591 42.677 1.00 0.00 WT1 O ATOM 3941 H1 TIP3 275 33.437 0.816 42.973 1.00 0.00 WT1 H ATOM 3942 H2 TIP3 275 33.498 1.827 41.848 1.00 0.00 WT1 H ATOM 3943 OH2 TIP3 276 33.357 64.739 64.872 1.00 0.00 WT1 O ATOM 3944 H1 TIP3 276 33.534 63.842 65.156 1.00 0.00 WT1 H ATOM 3945 H2 TIP3 276 34.055 64.934 64.247 1.00 0.00 WT1 H ATOM 3946 OH2 TIP3 277 21.263 72.810 31.112 1.00 0.00 WT1 O ATOM 3947 H1 TIP3 277 21.314 72.651 32.055 1.00 0.00 WT1 H ATOM 3948 H2 TIP3 277 22.032 72.368 30.752 1.00 0.00 WT1 H ATOM 3949 OH2 TIP3 278 73.855 28.140 39.988 1.00 0.00 WT1 O ATOM 3950 H1 TIP3 278 74.104 28.944 39.533 1.00 0.00 WT1 H ATOM 3951 H2 TIP3 278 73.214 27.726 39.411 1.00 0.00 WT1 H ATOM 3952 OH2 TIP3 279 76.735 43.107 63.754 1.00 0.00 WT1 O ATOM 3953 H1 TIP3 279 76.745 42.655 62.911 1.00 0.00 WT1 H ATOM 3954 H2 TIP3 279 75.808 43.281 63.922 1.00 0.00 WT1 H ATOM 3955 OH2 TIP3 280 20.683 13.468 38.071 1.00 0.00 WT1 O ATOM 3956 H1 TIP3 280 21.440 14.020 38.266 1.00 0.00 WT1 H ATOM 3957 H2 TIP3 280 21.058 12.615 37.852 1.00 0.00 WT1 H ATOM 3958 OH2 TIP3 281 41.783 8.637 53.772 1.00 0.00 WT1 O ATOM 3959 H1 TIP3 281 42.101 8.205 54.565 1.00 0.00 WT1 H ATOM 3960 H2 TIP3 281 42.576 8.919 53.317 1.00 0.00 WT1 H ATOM 3961 OH2 TIP3 282 57.577 35.200 0.765 1.00 0.00 WT1 O ATOM 3962 H1 TIP3 282 57.478 35.865 1.446 1.00 0.00 WT1 H ATOM 3963 H2 TIP3 282 58.201 35.580 0.147 1.00 0.00 WT1 H ATOM 3964 OH2 TIP3 283 66.759 74.888 52.255 1.00 0.00 WT1 O ATOM 3965 H1 TIP3 283 66.625 74.050 51.813 1.00 0.00 WT1 H ATOM 3966 H2 TIP3 283 67.338 74.682 52.989 1.00 0.00 WT1 H ATOM 3967 OH2 TIP3 284 29.023 22.223 47.646 1.00 0.00 WT1 O ATOM 3968 H1 TIP3 284 29.908 22.029 47.956 1.00 0.00 WT1 H ATOM 3969 H2 TIP3 284 28.759 22.998 48.142 1.00 0.00 WT1 H ATOM 3970 OH2 TIP3 285 20.880 78.325 57.276 1.00 0.00 WT1 O ATOM 3971 H1 TIP3 285 20.822 79.195 56.881 1.00 0.00 WT1 H ATOM 3972 H2 TIP3 285 20.242 78.343 57.990 1.00 0.00 WT1 H ATOM 3973 OH2 TIP3 286 88.386 47.402 -7.851 1.00 0.00 WT1 O ATOM 3974 H1 TIP3 286 88.023 46.960 -7.084 1.00 0.00 WT1 H ATOM 3975 H2 TIP3 286 88.436 46.719 -8.520 1.00 0.00 WT1 H ATOM 3976 OH2 TIP3 287 31.769 24.387 52.075 1.00 0.00 WT1 O ATOM 3977 H1 TIP3 287 31.209 24.820 51.430 1.00 0.00 WT1 H ATOM 3978 H2 TIP3 287 31.595 23.454 51.954 1.00 0.00 WT1 H ATOM 3979 OH2 TIP3 288 73.097 57.345 29.013 1.00 0.00 WT1 O ATOM 3980 H1 TIP3 288 73.104 57.984 29.726 1.00 0.00 WT1 H ATOM 3981 H2 TIP3 288 72.326 56.805 29.182 1.00 0.00 WT1 H ATOM 3982 OH2 TIP3 289 66.408 48.614 31.298 1.00 0.00 WT1 O ATOM 3983 H1 TIP3 289 65.512 48.302 31.423 1.00 0.00 WT1 H ATOM 3984 H2 TIP3 289 66.307 49.481 30.906 1.00 0.00 WT1 H ATOM 3985 OH2 TIP3 290 31.095 76.915 42.662 1.00 0.00 WT1 O ATOM 3986 H1 TIP3 290 30.987 76.030 42.313 1.00 0.00 WT1 H ATOM 3987 H2 TIP3 290 31.617 76.798 43.456 1.00 0.00 WT1 H ATOM 3988 OH2 TIP3 291 83.538 42.708 8.802 1.00 0.00 WT1 O ATOM 3989 H1 TIP3 291 83.211 41.818 8.673 1.00 0.00 WT1 H ATOM 3990 H2 TIP3 291 83.969 42.684 9.657 1.00 0.00 WT1 H ATOM 3991 OH2 TIP3 292 29.093 55.239 37.976 1.00 0.00 WT1 O ATOM 3992 H1 TIP3 292 29.700 55.979 37.961 1.00 0.00 WT1 H ATOM 3993 H2 TIP3 292 28.649 55.277 37.129 1.00 0.00 WT1 H ATOM 3994 OH2 TIP3 293 82.245 62.594 0.073 1.00 0.00 WT1 O ATOM 3995 H1 TIP3 293 81.636 62.031 -0.405 1.00 0.00 WT1 H ATOM 3996 H2 TIP3 293 83.064 62.534 -0.419 1.00 0.00 WT1 H ATOM 3997 OH2 TIP3 294 68.411 35.549 57.223 1.00 0.00 WT1 O ATOM 3998 H1 TIP3 294 67.874 36.267 56.888 1.00 0.00 WT1 H ATOM 3999 H2 TIP3 294 67.788 34.842 57.392 1.00 0.00 WT1 H ATOM 4000 OH2 TIP3 295 57.635 88.538 62.917 1.00 0.00 WT1 O ATOM 4001 H1 TIP3 295 57.485 87.727 62.431 1.00 0.00 WT1 H ATOM 4002 H2 TIP3 295 58.512 88.816 62.655 1.00 0.00 WT1 H ATOM 4003 OH2 TIP3 296 42.275 56.432 40.412 1.00 0.00 WT1 O ATOM 4004 H1 TIP3 296 43.106 56.907 40.404 1.00 0.00 WT1 H ATOM 4005 H2 TIP3 296 42.075 56.281 39.489 1.00 0.00 WT1 H ATOM 4006 OH2 TIP3 297 88.306 40.109 22.398 1.00 0.00 WT1 O ATOM 4007 H1 TIP3 297 88.873 40.846 22.171 1.00 0.00 WT1 H ATOM 4008 H2 TIP3 297 87.991 39.780 21.556 1.00 0.00 WT1 H ATOM 4009 OH2 TIP3 298 77.490 43.663 23.050 1.00 0.00 WT1 O ATOM 4010 H1 TIP3 298 76.641 43.286 22.820 1.00 0.00 WT1 H ATOM 4011 H2 TIP3 298 77.893 43.014 23.627 1.00 0.00 WT1 H ATOM 4012 OH2 TIP3 299 73.572 44.509 -15.132 1.00 0.00 WT1 O ATOM 4013 H1 TIP3 299 74.390 44.999 -15.059 1.00 0.00 WT1 H ATOM 4014 H2 TIP3 299 73.130 44.653 -14.295 1.00 0.00 WT1 H ATOM 4015 OH2 TIP3 300 41.508 78.970 20.216 1.00 0.00 WT1 O ATOM 4016 H1 TIP3 300 41.078 78.173 19.907 1.00 0.00 WT1 H ATOM 4017 H2 TIP3 300 41.401 78.948 21.167 1.00 0.00 WT1 H ATOM 4018 OH2 TIP3 301 45.820 5.793 25.573 1.00 0.00 WT1 O ATOM 4019 H1 TIP3 301 45.403 5.181 26.179 1.00 0.00 WT1 H ATOM 4020 H2 TIP3 301 45.142 6.441 25.381 1.00 0.00 WT1 H ATOM 4021 OH2 TIP3 302 56.927 6.097 6.710 1.00 0.00 WT1 O ATOM 4022 H1 TIP3 302 57.478 6.054 7.491 1.00 0.00 WT1 H ATOM 4023 H2 TIP3 302 56.047 5.894 7.026 1.00 0.00 WT1 H ATOM 4024 OH2 TIP3 303 39.771 48.490 -10.108 1.00 0.00 WT1 O ATOM 4025 H1 TIP3 303 40.018 49.387 -9.887 1.00 0.00 WT1 H ATOM 4026 H2 TIP3 303 40.483 47.952 -9.762 1.00 0.00 WT1 H ATOM 4027 OH2 TIP3 304 60.706 24.222 14.204 1.00 0.00 WT1 O ATOM 4028 H1 TIP3 304 60.118 24.976 14.233 1.00 0.00 WT1 H ATOM 4029 H2 TIP3 304 60.157 23.479 14.456 1.00 0.00 WT1 H ATOM 4030 OH2 TIP3 305 29.451 46.213 16.494 1.00 0.00 WT1 O ATOM 4031 H1 TIP3 305 30.286 45.850 16.790 1.00 0.00 WT1 H ATOM 4032 H2 TIP3 305 29.593 46.419 15.571 1.00 0.00 WT1 H ATOM 4033 OH2 TIP3 306 74.555 84.307 15.401 1.00 0.00 WT1 O ATOM 4034 H1 TIP3 306 74.981 85.132 15.634 1.00 0.00 WT1 H ATOM 4035 H2 TIP3 306 73.780 84.570 14.904 1.00 0.00 WT1 H ATOM 4036 OH2 TIP3 307 46.068 66.741 -10.550 1.00 0.00 WT1 O ATOM 4037 H1 TIP3 307 45.321 67.070 -10.049 1.00 0.00 WT1 H ATOM 4038 H2 TIP3 307 46.671 66.404 -9.888 1.00 0.00 WT1 H ATOM 4039 OH2 TIP3 308 36.123 79.728 -1.747 1.00 0.00 WT1 O ATOM 4040 H1 TIP3 308 36.857 80.279 -1.474 1.00 0.00 WT1 H ATOM 4041 H2 TIP3 308 36.396 78.838 -1.526 1.00 0.00 WT1 H ATOM 4042 OH2 TIP3 309 50.557 91.745 3.532 1.00 0.00 WT1 O ATOM 4043 H1 TIP3 309 51.384 91.302 3.720 1.00 0.00 WT1 H ATOM 4044 H2 TIP3 309 50.112 91.790 4.378 1.00 0.00 WT1 H ATOM 4045 OH2 TIP3 311 45.583 61.838 66.737 1.00 0.00 WT1 O ATOM 4046 H1 TIP3 311 44.913 62.522 66.727 1.00 0.00 WT1 H ATOM 4047 H2 TIP3 311 46.401 62.301 66.561 1.00 0.00 WT1 H ATOM 4048 OH2 TIP3 312 90.071 53.257 32.367 1.00 0.00 WT1 O ATOM 4049 H1 TIP3 312 90.062 54.074 31.868 1.00 0.00 WT1 H ATOM 4050 H2 TIP3 312 89.509 53.430 33.122 1.00 0.00 WT1 H ATOM 4051 OH2 TIP3 313 63.151 0.952 55.801 1.00 0.00 WT1 O ATOM 4052 H1 TIP3 313 63.303 0.436 56.592 1.00 0.00 WT1 H ATOM 4053 H2 TIP3 313 62.443 1.550 56.037 1.00 0.00 WT1 H ATOM 4054 OH2 TIP3 314 22.769 39.628 32.160 1.00 0.00 WT1 O ATOM 4055 H1 TIP3 314 22.210 38.860 32.043 1.00 0.00 WT1 H ATOM 4056 H2 TIP3 314 22.897 39.968 31.274 1.00 0.00 WT1 H ATOM 4057 OH2 TIP3 316 50.357 36.289 45.893 1.00 0.00 WT1 O ATOM 4058 H1 TIP3 316 51.240 36.011 45.648 1.00 0.00 WT1 H ATOM 4059 H2 TIP3 316 50.321 37.215 45.652 1.00 0.00 WT1 H ATOM 4060 OH2 TIP3 317 37.716 48.835 40.070 1.00 0.00 WT1 O ATOM 4061 H1 TIP3 317 37.907 49.649 40.536 1.00 0.00 WT1 H ATOM 4062 H2 TIP3 317 38.418 48.239 40.332 1.00 0.00 WT1 H ATOM 4063 OH2 TIP3 318 42.440 93.765 52.693 1.00 0.00 WT1 O ATOM 4064 H1 TIP3 318 43.119 93.091 52.711 1.00 0.00 WT1 H ATOM 4065 H2 TIP3 318 41.742 93.389 52.157 1.00 0.00 WT1 H ATOM 4066 OH2 TIP3 319 80.038 60.106 52.408 1.00 0.00 WT1 O ATOM 4067 H1 TIP3 319 80.903 60.143 52.001 1.00 0.00 WT1 H ATOM 4068 H2 TIP3 319 79.609 59.358 51.992 1.00 0.00 WT1 H ATOM 4069 OH2 TIP3 320 75.552 60.096 2.022 1.00 0.00 WT1 O ATOM 4070 H1 TIP3 320 74.879 60.307 2.669 1.00 0.00 WT1 H ATOM 4071 H2 TIP3 320 75.486 59.148 1.907 1.00 0.00 WT1 H ATOM 4072 OH2 TIP3 321 47.147 36.219 -11.305 1.00 0.00 WT1 O ATOM 4073 H1 TIP3 321 46.790 36.688 -10.551 1.00 0.00 WT1 H ATOM 4074 H2 TIP3 321 47.578 35.451 -10.929 1.00 0.00 WT1 H ATOM 4075 OH2 TIP3 322 75.610 9.817 -12.125 1.00 0.00 WT1 O ATOM 4076 H1 TIP3 322 76.299 9.203 -12.378 1.00 0.00 WT1 H ATOM 4077 H2 TIP3 322 76.033 10.411 -11.506 1.00 0.00 WT1 H ATOM 4078 OH2 TIP3 324 33.631 68.838 26.336 1.00 0.00 WT1 O ATOM 4079 H1 TIP3 324 34.478 69.219 26.564 1.00 0.00 WT1 H ATOM 4080 H2 TIP3 324 32.989 69.475 26.648 1.00 0.00 WT1 H ATOM 4081 OH2 TIP3 325 47.272 38.642 5.849 1.00 0.00 WT1 O ATOM 4082 H1 TIP3 325 46.944 38.256 6.661 1.00 0.00 WT1 H ATOM 4083 H2 TIP3 325 48.072 39.101 6.107 1.00 0.00 WT1 H ATOM 4084 OH2 TIP3 326 29.338 57.973 -11.907 1.00 0.00 WT1 O ATOM 4085 H1 TIP3 326 28.872 57.770 -11.096 1.00 0.00 WT1 H ATOM 4086 H2 TIP3 326 29.118 57.253 -12.497 1.00 0.00 WT1 H ATOM 4087 OH2 TIP3 327 34.737 31.927 19.035 1.00 0.00 WT1 O ATOM 4088 H1 TIP3 327 35.318 32.644 18.782 1.00 0.00 WT1 H ATOM 4089 H2 TIP3 327 34.154 32.311 19.691 1.00 0.00 WT1 H ATOM 4090 OH2 TIP3 328 34.018 28.374 -10.535 1.00 0.00 WT1 O ATOM 4091 H1 TIP3 328 34.815 28.069 -10.102 1.00 0.00 WT1 H ATOM 4092 H2 TIP3 328 33.643 27.586 -10.929 1.00 0.00 WT1 H ATOM 4093 OH2 TIP3 329 22.098 88.325 34.894 1.00 0.00 WT1 O ATOM 4094 H1 TIP3 329 22.384 88.064 35.770 1.00 0.00 WT1 H ATOM 4095 H2 TIP3 329 21.163 88.506 34.990 1.00 0.00 WT1 H ATOM 4096 OH2 TIP3 330 37.798 61.071 -11.388 1.00 0.00 WT1 O ATOM 4097 H1 TIP3 330 38.374 60.418 -10.989 1.00 0.00 WT1 H ATOM 4098 H2 TIP3 330 37.043 61.115 -10.801 1.00 0.00 WT1 H ATOM 4099 OH2 TIP3 331 76.327 6.866 -9.607 1.00 0.00 WT1 O ATOM 4100 H1 TIP3 331 76.300 7.062 -8.671 1.00 0.00 WT1 H ATOM 4101 H2 TIP3 331 77.236 6.615 -9.774 1.00 0.00 WT1 H ATOM 4102 OH2 TIP3 332 88.409 68.217 7.076 1.00 0.00 WT1 O ATOM 4103 H1 TIP3 332 88.403 68.887 7.760 1.00 0.00 WT1 H ATOM 4104 H2 TIP3 332 88.227 67.400 7.540 1.00 0.00 WT1 H ATOM 4105 OH2 TIP3 333 62.027 75.171 58.064 1.00 0.00 WT1 O ATOM 4106 H1 TIP3 333 62.411 74.386 57.672 1.00 0.00 WT1 H ATOM 4107 H2 TIP3 333 61.190 75.280 57.613 1.00 0.00 WT1 H ATOM 4108 OH2 TIP3 335 71.187 53.138 38.818 1.00 0.00 WT1 O ATOM 4109 H1 TIP3 335 70.237 53.080 38.720 1.00 0.00 WT1 H ATOM 4110 H2 TIP3 335 71.370 52.700 39.649 1.00 0.00 WT1 H ATOM 4111 OH2 TIP3 336 53.529 50.023 40.917 1.00 0.00 WT1 O ATOM 4112 H1 TIP3 336 52.813 49.413 41.096 1.00 0.00 WT1 H ATOM 4113 H2 TIP3 336 53.869 49.751 40.064 1.00 0.00 WT1 H ATOM 4114 OH2 TIP3 337 59.738 53.906 -11.770 1.00 0.00 WT1 O ATOM 4115 H1 TIP3 337 59.517 53.458 -10.953 1.00 0.00 WT1 H ATOM 4116 H2 TIP3 337 58.908 53.966 -12.243 1.00 0.00 WT1 H ATOM 4117 OH2 TIP3 338 36.127 23.507 66.689 1.00 0.00 WT1 O ATOM 4118 H1 TIP3 338 35.366 23.924 67.093 1.00 0.00 WT1 H ATOM 4119 H2 TIP3 338 36.295 22.738 67.233 1.00 0.00 WT1 H ATOM 4120 OH2 TIP3 339 49.128 35.510 58.221 1.00 0.00 WT1 O ATOM 4121 H1 TIP3 339 49.249 36.456 58.141 1.00 0.00 WT1 H ATOM 4122 H2 TIP3 339 48.949 35.368 59.150 1.00 0.00 WT1 H ATOM 4123 OH2 TIP3 340 84.988 52.321 19.692 1.00 0.00 WT1 O ATOM 4124 H1 TIP3 340 84.667 52.060 20.555 1.00 0.00 WT1 H ATOM 4125 H2 TIP3 340 85.941 52.273 19.766 1.00 0.00 WT1 H ATOM 4126 OH2 TIP3 341 82.575 69.070 51.535 1.00 0.00 WT1 O ATOM 4127 H1 TIP3 341 82.016 69.752 51.164 1.00 0.00 WT1 H ATOM 4128 H2 TIP3 341 82.035 68.279 51.513 1.00 0.00 WT1 H ATOM 4129 OH2 TIP3 342 67.170 22.546 58.977 1.00 0.00 WT1 O ATOM 4130 H1 TIP3 342 66.448 22.771 59.564 1.00 0.00 WT1 H ATOM 4131 H2 TIP3 342 67.930 22.463 59.553 1.00 0.00 WT1 H ATOM 4132 OH2 TIP3 343 75.245 66.423 18.336 1.00 0.00 WT1 O ATOM 4133 H1 TIP3 343 76.086 65.966 18.319 1.00 0.00 WT1 H ATOM 4134 H2 TIP3 343 74.855 66.178 19.175 1.00 0.00 WT1 H ATOM 4135 OH2 TIP3 344 88.987 90.871 9.919 1.00 0.00 WT1 O ATOM 4136 H1 TIP3 344 89.585 90.200 10.247 1.00 0.00 WT1 H ATOM 4137 H2 TIP3 344 88.372 91.018 10.638 1.00 0.00 WT1 H ATOM 4138 OH2 TIP3 345 33.331 27.757 32.577 1.00 0.00 WT1 O ATOM 4139 H1 TIP3 345 32.527 28.004 32.121 1.00 0.00 WT1 H ATOM 4140 H2 TIP3 345 34.007 28.316 32.193 1.00 0.00 WT1 H ATOM 4141 OH2 TIP3 346 80.946 56.251 0.897 1.00 0.00 WT1 O ATOM 4142 H1 TIP3 346 81.120 55.336 1.115 1.00 0.00 WT1 H ATOM 4143 H2 TIP3 346 80.576 56.222 0.015 1.00 0.00 WT1 H ATOM 4144 OH2 TIP3 347 32.309 70.898 11.589 1.00 0.00 WT1 O ATOM 4145 H1 TIP3 347 32.016 71.411 12.343 1.00 0.00 WT1 H ATOM 4146 H2 TIP3 347 32.880 70.227 11.963 1.00 0.00 WT1 H ATOM 4147 OH2 TIP3 348 30.080 23.288 38.331 1.00 0.00 WT1 O ATOM 4148 H1 TIP3 348 30.177 22.458 37.862 1.00 0.00 WT1 H ATOM 4149 H2 TIP3 348 30.797 23.832 38.005 1.00 0.00 WT1 H ATOM 4150 OH2 TIP3 349 29.720 67.468 18.393 1.00 0.00 WT1 O ATOM 4151 H1 TIP3 349 30.237 67.252 17.618 1.00 0.00 WT1 H ATOM 4152 H2 TIP3 349 30.354 67.833 19.011 1.00 0.00 WT1 H ATOM 4153 OH2 TIP3 350 35.605 43.638 26.759 1.00 0.00 WT1 O ATOM 4154 H1 TIP3 350 35.520 43.621 25.805 1.00 0.00 WT1 H ATOM 4155 H2 TIP3 350 35.982 42.786 26.980 1.00 0.00 WT1 H ATOM 4156 OH2 TIP3 352 75.369 75.650 27.882 1.00 0.00 WT1 O ATOM 4157 H1 TIP3 352 75.624 74.859 28.357 1.00 0.00 WT1 H ATOM 4158 H2 TIP3 352 74.443 75.769 28.092 1.00 0.00 WT1 H ATOM 4159 OH2 TIP3 353 68.527 59.425 17.501 1.00 0.00 WT1 O ATOM 4160 H1 TIP3 353 67.601 59.559 17.701 1.00 0.00 WT1 H ATOM 4161 H2 TIP3 353 68.733 58.570 17.879 1.00 0.00 WT1 H ATOM 4162 OH2 TIP3 355 79.690 70.063 65.055 1.00 0.00 WT1 O ATOM 4163 H1 TIP3 355 79.190 69.247 65.023 1.00 0.00 WT1 H ATOM 4164 H2 TIP3 355 79.106 70.686 65.487 1.00 0.00 WT1 H ATOM 4165 OH2 TIP3 356 90.044 19.311 -1.616 1.00 0.00 WT1 O ATOM 4166 H1 TIP3 356 90.165 20.232 -1.848 1.00 0.00 WT1 H ATOM 4167 H2 TIP3 356 89.094 19.199 -1.567 1.00 0.00 WT1 H ATOM 4168 OH2 TIP3 357 74.869 43.792 50.560 1.00 0.00 WT1 O ATOM 4169 H1 TIP3 357 74.472 43.298 51.278 1.00 0.00 WT1 H ATOM 4170 H2 TIP3 357 75.803 43.812 50.770 1.00 0.00 WT1 H ATOM 4171 OH2 TIP3 358 46.657 11.242 57.077 1.00 0.00 WT1 O ATOM 4172 H1 TIP3 358 46.071 10.656 56.598 1.00 0.00 WT1 H ATOM 4173 H2 TIP3 358 46.883 10.759 57.871 1.00 0.00 WT1 H ATOM 4174 OH2 TIP3 359 77.179 32.490 27.393 1.00 0.00 WT1 O ATOM 4175 H1 TIP3 359 76.263 32.299 27.190 1.00 0.00 WT1 H ATOM 4176 H2 TIP3 359 77.640 31.671 27.213 1.00 0.00 WT1 H ATOM 4177 OH2 TIP3 360 35.149 18.846 3.465 1.00 0.00 WT1 O ATOM 4178 H1 TIP3 360 35.405 18.151 4.071 1.00 0.00 WT1 H ATOM 4179 H2 TIP3 360 35.869 18.893 2.836 1.00 0.00 WT1 H ATOM 4180 OH2 TIP3 361 25.992 63.242 0.882 1.00 0.00 WT1 O ATOM 4181 H1 TIP3 361 25.536 62.429 1.098 1.00 0.00 WT1 H ATOM 4182 H2 TIP3 361 26.893 63.096 1.169 1.00 0.00 WT1 H ATOM 4183 OH2 TIP3 362 34.930 7.873 6.232 1.00 0.00 WT1 O ATOM 4184 H1 TIP3 362 35.641 7.252 6.383 1.00 0.00 WT1 H ATOM 4185 H2 TIP3 362 34.151 7.327 6.131 1.00 0.00 WT1 H ATOM 4186 OH2 TIP3 363 61.746 73.394 3.862 1.00 0.00 WT1 O ATOM 4187 H1 TIP3 363 61.797 73.595 4.796 1.00 0.00 WT1 H ATOM 4188 H2 TIP3 363 61.300 72.548 3.822 1.00 0.00 WT1 H ATOM 4189 OH2 TIP3 364 62.844 32.540 57.950 1.00 0.00 WT1 O ATOM 4190 H1 TIP3 364 62.438 32.996 57.212 1.00 0.00 WT1 H ATOM 4191 H2 TIP3 364 63.230 33.237 58.480 1.00 0.00 WT1 H ATOM 4192 OH2 TIP3 365 40.729 79.657 8.298 1.00 0.00 WT1 O ATOM 4193 H1 TIP3 365 40.075 78.970 8.425 1.00 0.00 WT1 H ATOM 4194 H2 TIP3 365 41.055 79.844 9.178 1.00 0.00 WT1 H ATOM 4195 OH2 TIP3 366 71.790 26.014 -15.814 1.00 0.00 WT1 O ATOM 4196 H1 TIP3 366 72.342 25.966 -15.033 1.00 0.00 WT1 H ATOM 4197 H2 TIP3 366 72.377 26.320 -16.505 1.00 0.00 WT1 H ATOM 4198 OH2 TIP3 367 42.766 88.912 18.388 1.00 0.00 WT1 O ATOM 4199 H1 TIP3 367 42.509 88.873 19.309 1.00 0.00 WT1 H ATOM 4200 H2 TIP3 367 43.708 88.743 18.394 1.00 0.00 WT1 H ATOM 4201 OH2 TIP3 368 25.276 58.748 29.954 1.00 0.00 WT1 O ATOM 4202 H1 TIP3 368 24.773 58.022 30.323 1.00 0.00 WT1 H ATOM 4203 H2 TIP3 368 26.187 58.541 30.165 1.00 0.00 WT1 H ATOM 4204 OH2 TIP3 369 27.506 59.738 4.262 1.00 0.00 WT1 O ATOM 4205 H1 TIP3 369 27.071 59.596 5.103 1.00 0.00 WT1 H ATOM 4206 H2 TIP3 369 27.970 60.568 4.369 1.00 0.00 WT1 H ATOM 4207 OH2 TIP3 370 81.930 34.014 -14.638 1.00 0.00 WT1 O ATOM 4208 H1 TIP3 370 81.517 33.618 -13.871 1.00 0.00 WT1 H ATOM 4209 H2 TIP3 370 81.590 33.512 -15.379 1.00 0.00 WT1 H ATOM 4210 OH2 TIP3 371 82.004 56.630 60.844 1.00 0.00 WT1 O ATOM 4211 H1 TIP3 371 82.448 56.567 59.999 1.00 0.00 WT1 H ATOM 4212 H2 TIP3 371 81.651 57.519 60.865 1.00 0.00 WT1 H ATOM 4213 OH2 TIP3 372 24.044 87.031 16.289 1.00 0.00 WT1 O ATOM 4214 H1 TIP3 372 24.382 86.178 16.560 1.00 0.00 WT1 H ATOM 4215 H2 TIP3 372 23.143 87.046 16.613 1.00 0.00 WT1 H ATOM 4216 OH2 TIP3 373 62.305 64.773 39.443 1.00 0.00 WT1 O ATOM 4217 H1 TIP3 373 61.658 64.727 38.740 1.00 0.00 WT1 H ATOM 4218 H2 TIP3 373 61.993 64.147 40.097 1.00 0.00 WT1 H ATOM 4219 OH2 TIP3 374 38.238 69.239 54.204 1.00 0.00 WT1 O ATOM 4220 H1 TIP3 374 39.013 68.710 54.390 1.00 0.00 WT1 H ATOM 4221 H2 TIP3 374 37.928 68.921 53.356 1.00 0.00 WT1 H ATOM 4222 OH2 TIP3 375 26.042 93.633 48.972 1.00 0.00 WT1 O ATOM 4223 H1 TIP3 375 25.756 92.725 49.077 1.00 0.00 WT1 H ATOM 4224 H2 TIP3 375 26.929 93.566 48.621 1.00 0.00 WT1 H ATOM 4225 OH2 TIP3 376 89.745 3.976 55.807 1.00 0.00 WT1 O ATOM 4226 H1 TIP3 376 89.105 3.427 56.261 1.00 0.00 WT1 H ATOM 4227 H2 TIP3 376 90.560 3.476 55.847 1.00 0.00 WT1 H ATOM 4228 OH2 TIP3 377 22.124 84.058 18.833 1.00 0.00 WT1 O ATOM 4229 H1 TIP3 377 23.000 83.800 19.122 1.00 0.00 WT1 H ATOM 4230 H2 TIP3 377 21.967 84.898 19.264 1.00 0.00 WT1 H ATOM 4231 OH2 TIP3 378 56.811 8.548 -6.575 1.00 0.00 WT1 O ATOM 4232 H1 TIP3 378 55.952 8.807 -6.242 1.00 0.00 WT1 H ATOM 4233 H2 TIP3 378 57.421 8.787 -5.878 1.00 0.00 WT1 H ATOM 4234 OH2 TIP3 379 31.061 94.057 54.253 1.00 0.00 WT1 O ATOM 4235 H1 TIP3 379 30.512 94.369 53.533 1.00 0.00 WT1 H ATOM 4236 H2 TIP3 379 31.535 94.835 54.548 1.00 0.00 WT1 H ATOM 4237 OH2 TIP3 380 41.804 44.590 53.289 1.00 0.00 WT1 O ATOM 4238 H1 TIP3 380 41.188 44.974 52.665 1.00 0.00 WT1 H ATOM 4239 H2 TIP3 380 42.638 44.566 52.819 1.00 0.00 WT1 H ATOM 4240 OH2 TIP3 381 63.438 60.350 62.402 1.00 0.00 WT1 O ATOM 4241 H1 TIP3 381 63.052 59.717 63.008 1.00 0.00 WT1 H ATOM 4242 H2 TIP3 381 62.926 61.148 62.531 1.00 0.00 WT1 H ATOM 4243 OH2 TIP3 382 56.883 8.034 12.319 1.00 0.00 WT1 O ATOM 4244 H1 TIP3 382 56.970 8.288 13.238 1.00 0.00 WT1 H ATOM 4245 H2 TIP3 382 56.191 7.372 12.318 1.00 0.00 WT1 H ATOM 4246 OH2 TIP3 383 54.446 92.219 -17.447 1.00 0.00 WT1 O ATOM 4247 H1 TIP3 383 53.762 92.076 -18.101 1.00 0.00 WT1 H ATOM 4248 H2 TIP3 383 54.510 91.386 -16.981 1.00 0.00 WT1 H ATOM 4249 OH2 TIP3 384 76.631 42.407 1.682 1.00 0.00 WT1 O ATOM 4250 H1 TIP3 384 76.495 43.039 2.389 1.00 0.00 WT1 H ATOM 4251 H2 TIP3 384 77.129 42.890 1.022 1.00 0.00 WT1 H ATOM 4252 OH2 TIP3 385 30.512 11.692 -13.693 1.00 0.00 WT1 O ATOM 4253 H1 TIP3 385 31.097 11.144 -13.171 1.00 0.00 WT1 H ATOM 4254 H2 TIP3 385 31.056 12.429 -13.970 1.00 0.00 WT1 H ATOM 4255 OH2 TIP3 386 82.257 35.870 -7.507 1.00 0.00 WT1 O ATOM 4256 H1 TIP3 386 81.906 34.990 -7.366 1.00 0.00 WT1 H ATOM 4257 H2 TIP3 386 81.559 36.336 -7.966 1.00 0.00 WT1 H ATOM 4258 OH2 TIP3 387 53.702 34.847 4.879 1.00 0.00 WT1 O ATOM 4259 H1 TIP3 387 54.194 35.647 4.693 1.00 0.00 WT1 H ATOM 4260 H2 TIP3 387 54.306 34.308 5.390 1.00 0.00 WT1 H ATOM 4261 OH2 TIP3 388 27.991 82.102 5.319 1.00 0.00 WT1 O ATOM 4262 H1 TIP3 388 28.320 82.362 6.179 1.00 0.00 WT1 H ATOM 4263 H2 TIP3 388 28.772 81.834 4.834 1.00 0.00 WT1 H ATOM 4264 OH2 TIP3 389 85.580 41.176 51.031 1.00 0.00 WT1 O ATOM 4265 H1 TIP3 389 84.728 41.377 50.644 1.00 0.00 WT1 H ATOM 4266 H2 TIP3 389 85.902 42.018 51.353 1.00 0.00 WT1 H ATOM 4267 OH2 TIP3 390 78.913 70.438 53.739 1.00 0.00 WT1 O ATOM 4268 H1 TIP3 390 78.772 71.382 53.816 1.00 0.00 WT1 H ATOM 4269 H2 TIP3 390 78.220 70.048 54.272 1.00 0.00 WT1 H ATOM 4270 OH2 TIP3 391 21.424 43.570 12.911 1.00 0.00 WT1 O ATOM 4271 H1 TIP3 391 20.906 44.306 12.583 1.00 0.00 WT1 H ATOM 4272 H2 TIP3 391 22.173 43.979 13.344 1.00 0.00 WT1 H ATOM 4273 OH2 TIP3 392 22.952 26.528 53.275 1.00 0.00 WT1 O ATOM 4274 H1 TIP3 392 23.460 26.752 54.054 1.00 0.00 WT1 H ATOM 4275 H2 TIP3 392 22.051 26.759 53.501 1.00 0.00 WT1 H ATOM 4276 OH2 TIP3 393 65.243 35.710 66.921 1.00 0.00 WT1 O ATOM 4277 H1 TIP3 393 64.398 36.157 66.869 1.00 0.00 WT1 H ATOM 4278 H2 TIP3 393 65.020 34.781 66.968 1.00 0.00 WT1 H ATOM 4279 OH2 TIP3 394 69.255 1.365 18.515 1.00 0.00 WT1 O ATOM 4280 H1 TIP3 394 69.438 1.910 19.281 1.00 0.00 WT1 H ATOM 4281 H2 TIP3 394 68.886 1.971 17.872 1.00 0.00 WT1 H ATOM 4282 OH2 TIP3 395 78.559 41.713 -16.733 1.00 0.00 WT1 O ATOM 4283 H1 TIP3 395 78.475 41.942 -17.658 1.00 0.00 WT1 H ATOM 4284 H2 TIP3 395 77.760 42.049 -16.328 1.00 0.00 WT1 H ATOM 4285 OH2 TIP3 396 33.870 12.517 -11.522 1.00 0.00 WT1 O ATOM 4286 H1 TIP3 396 32.973 12.842 -11.438 1.00 0.00 WT1 H ATOM 4287 H2 TIP3 396 33.771 11.629 -11.865 1.00 0.00 WT1 H ATOM 4288 OH2 TIP3 397 62.938 89.865 45.454 1.00 0.00 WT1 O ATOM 4289 H1 TIP3 397 62.302 89.435 46.026 1.00 0.00 WT1 H ATOM 4290 H2 TIP3 397 62.539 90.709 45.243 1.00 0.00 WT1 H ATOM 4291 OH2 TIP3 399 20.231 69.646 -16.895 1.00 0.00 WT1 O ATOM 4292 H1 TIP3 399 20.815 68.976 -17.253 1.00 0.00 WT1 H ATOM 4293 H2 TIP3 399 20.812 70.246 -16.429 1.00 0.00 WT1 H ATOM 4294 OH2 TIP3 400 67.741 64.453 -13.187 1.00 0.00 WT1 O ATOM 4295 H1 TIP3 400 66.813 64.623 -13.349 1.00 0.00 WT1 H ATOM 4296 H2 TIP3 400 67.746 63.798 -12.489 1.00 0.00 WT1 H ATOM 4297 OH2 TIP3 401 65.210 50.457 5.937 1.00 0.00 WT1 O ATOM 4298 H1 TIP3 401 65.615 51.214 6.360 1.00 0.00 WT1 H ATOM 4299 H2 TIP3 401 64.328 50.419 6.309 1.00 0.00 WT1 H ATOM 4300 OH2 TIP3 402 29.822 31.843 25.512 1.00 0.00 WT1 O ATOM 4301 H1 TIP3 402 29.040 31.572 25.031 1.00 0.00 WT1 H ATOM 4302 H2 TIP3 402 29.598 31.705 26.432 1.00 0.00 WT1 H ATOM 4303 OH2 TIP3 403 78.684 66.624 -0.374 1.00 0.00 WT1 O ATOM 4304 H1 TIP3 403 79.392 66.070 -0.045 1.00 0.00 WT1 H ATOM 4305 H2 TIP3 403 78.418 66.211 -1.196 1.00 0.00 WT1 H ATOM 4306 OH2 TIP3 404 33.414 21.970 14.552 1.00 0.00 WT1 O ATOM 4307 H1 TIP3 404 33.453 22.276 15.458 1.00 0.00 WT1 H ATOM 4308 H2 TIP3 404 32.516 22.150 14.275 1.00 0.00 WT1 H ATOM 4309 OH2 TIP3 405 63.988 42.308 64.501 1.00 0.00 WT1 O ATOM 4310 H1 TIP3 405 64.703 41.935 65.017 1.00 0.00 WT1 H ATOM 4311 H2 TIP3 405 63.201 41.877 64.834 1.00 0.00 WT1 H ATOM 4312 OH2 TIP3 406 24.295 85.454 35.686 1.00 0.00 WT1 O ATOM 4313 H1 TIP3 406 23.572 85.274 36.287 1.00 0.00 WT1 H ATOM 4314 H2 TIP3 406 24.586 84.590 35.395 1.00 0.00 WT1 H ATOM 4315 OH2 TIP3 407 30.619 45.946 23.758 1.00 0.00 WT1 O ATOM 4316 H1 TIP3 407 31.207 45.936 23.003 1.00 0.00 WT1 H ATOM 4317 H2 TIP3 407 30.341 46.859 23.833 1.00 0.00 WT1 H ATOM 4318 OH2 TIP3 408 31.375 29.938 58.401 1.00 0.00 WT1 O ATOM 4319 H1 TIP3 408 30.579 30.045 57.880 1.00 0.00 WT1 H ATOM 4320 H2 TIP3 408 32.089 30.094 57.784 1.00 0.00 WT1 H ATOM 4321 OH2 TIP3 409 71.502 42.522 -4.679 1.00 0.00 WT1 O ATOM 4322 H1 TIP3 409 71.826 42.438 -3.782 1.00 0.00 WT1 H ATOM 4323 H2 TIP3 409 70.570 42.311 -4.618 1.00 0.00 WT1 H ATOM 4324 OH2 TIP3 411 31.654 21.348 17.456 1.00 0.00 WT1 O ATOM 4325 H1 TIP3 411 30.988 21.694 18.049 1.00 0.00 WT1 H ATOM 4326 H2 TIP3 411 32.440 21.858 17.654 1.00 0.00 WT1 H ATOM 4327 OH2 TIP3 412 38.705 63.331 13.052 1.00 0.00 WT1 O ATOM 4328 H1 TIP3 412 38.451 63.655 13.916 1.00 0.00 WT1 H ATOM 4329 H2 TIP3 412 39.659 63.268 13.090 1.00 0.00 WT1 H ATOM 4330 OH2 TIP3 413 80.131 27.660 65.634 1.00 0.00 WT1 O ATOM 4331 H1 TIP3 413 79.953 28.534 65.981 1.00 0.00 WT1 H ATOM 4332 H2 TIP3 413 80.040 27.079 66.389 1.00 0.00 WT1 H ATOM 4333 OH2 TIP3 414 52.993 61.692 10.649 1.00 0.00 WT1 O ATOM 4334 H1 TIP3 414 53.497 61.045 11.143 1.00 0.00 WT1 H ATOM 4335 H2 TIP3 414 53.252 62.534 11.023 1.00 0.00 WT1 H ATOM 4336 OH2 TIP3 415 63.260 43.619 -8.964 1.00 0.00 WT1 O ATOM 4337 H1 TIP3 415 62.619 43.049 -9.390 1.00 0.00 WT1 H ATOM 4338 H2 TIP3 415 63.981 43.680 -9.591 1.00 0.00 WT1 H ATOM 4339 OH2 TIP3 417 51.660 4.748 6.731 1.00 0.00 WT1 O ATOM 4340 H1 TIP3 417 51.656 5.198 7.576 1.00 0.00 WT1 H ATOM 4341 H2 TIP3 417 50.864 4.217 6.738 1.00 0.00 WT1 H ATOM 4342 OH2 TIP3 418 33.669 86.304 -6.364 1.00 0.00 WT1 O ATOM 4343 H1 TIP3 418 32.974 86.073 -6.981 1.00 0.00 WT1 H ATOM 4344 H2 TIP3 418 33.252 86.257 -5.504 1.00 0.00 WT1 H ATOM 4345 OH2 TIP3 419 62.837 49.855 51.570 1.00 0.00 WT1 O ATOM 4346 H1 TIP3 419 63.660 49.745 52.047 1.00 0.00 WT1 H ATOM 4347 H2 TIP3 419 63.008 49.481 50.706 1.00 0.00 WT1 H ATOM 4348 OH2 TIP3 420 76.014 51.250 45.120 1.00 0.00 WT1 O ATOM 4349 H1 TIP3 420 75.493 50.462 45.276 1.00 0.00 WT1 H ATOM 4350 H2 TIP3 420 76.680 50.976 44.489 1.00 0.00 WT1 H ATOM 4351 OH2 TIP3 421 85.106 10.224 -5.332 1.00 0.00 WT1 O ATOM 4352 H1 TIP3 421 85.796 10.447 -4.707 1.00 0.00 WT1 H ATOM 4353 H2 TIP3 421 85.506 10.364 -6.191 1.00 0.00 WT1 H ATOM 4354 OH2 TIP3 422 42.989 87.259 44.727 1.00 0.00 WT1 O ATOM 4355 H1 TIP3 422 42.137 87.381 45.147 1.00 0.00 WT1 H ATOM 4356 H2 TIP3 422 43.358 86.485 45.153 1.00 0.00 WT1 H ATOM 4357 OH2 TIP3 423 86.757 58.227 3.123 1.00 0.00 WT1 O ATOM 4358 H1 TIP3 423 85.972 58.083 3.652 1.00 0.00 WT1 H ATOM 4359 H2 TIP3 423 86.889 59.174 3.143 1.00 0.00 WT1 H ATOM 4360 OH2 TIP3 424 29.650 85.186 -5.957 1.00 0.00 WT1 O ATOM 4361 H1 TIP3 424 29.963 84.314 -6.196 1.00 0.00 WT1 H ATOM 4362 H2 TIP3 424 29.695 85.203 -5.001 1.00 0.00 WT1 H ATOM 4363 OH2 TIP3 425 76.158 75.036 25.080 1.00 0.00 WT1 O ATOM 4364 H1 TIP3 425 75.630 74.283 24.815 1.00 0.00 WT1 H ATOM 4365 H2 TIP3 425 75.767 75.324 25.905 1.00 0.00 WT1 H ATOM 4366 OH2 TIP3 426 21.759 65.171 10.242 1.00 0.00 WT1 O ATOM 4367 H1 TIP3 426 21.863 64.220 10.218 1.00 0.00 WT1 H ATOM 4368 H2 TIP3 426 22.593 65.512 9.920 1.00 0.00 WT1 H ATOM 4369 OH2 TIP3 427 50.323 87.769 7.945 1.00 0.00 WT1 O ATOM 4370 H1 TIP3 427 50.725 87.815 8.813 1.00 0.00 WT1 H ATOM 4371 H2 TIP3 427 49.865 86.929 7.936 1.00 0.00 WT1 H ATOM 4372 OH2 TIP3 428 40.269 37.575 -17.675 1.00 0.00 WT1 O ATOM 4373 H1 TIP3 428 40.038 36.802 -18.190 1.00 0.00 WT1 H ATOM 4374 H2 TIP3 428 39.630 38.237 -17.937 1.00 0.00 WT1 H ATOM 4375 OH2 TIP3 429 63.573 32.428 23.109 1.00 0.00 WT1 O ATOM 4376 H1 TIP3 429 62.795 32.249 22.582 1.00 0.00 WT1 H ATOM 4377 H2 TIP3 429 64.303 32.122 22.571 1.00 0.00 WT1 H ATOM 4378 OH2 TIP3 430 72.390 74.525 26.289 1.00 0.00 WT1 O ATOM 4379 H1 TIP3 430 71.504 74.400 26.627 1.00 0.00 WT1 H ATOM 4380 H2 TIP3 430 72.733 75.270 26.783 1.00 0.00 WT1 H ATOM 4381 OH2 TIP3 431 61.119 7.708 -4.785 1.00 0.00 WT1 O ATOM 4382 H1 TIP3 431 61.035 8.616 -4.493 1.00 0.00 WT1 H ATOM 4383 H2 TIP3 431 61.178 7.201 -3.975 1.00 0.00 WT1 H ATOM 4384 OH2 TIP3 432 35.879 93.739 57.664 1.00 0.00 WT1 O ATOM 4385 H1 TIP3 432 35.188 93.752 58.326 1.00 0.00 WT1 H ATOM 4386 H2 TIP3 432 36.527 93.123 58.006 1.00 0.00 WT1 H ATOM 4387 OH2 TIP3 433 74.545 51.562 23.843 1.00 0.00 WT1 O ATOM 4388 H1 TIP3 433 73.617 51.780 23.763 1.00 0.00 WT1 H ATOM 4389 H2 TIP3 433 74.954 51.965 23.077 1.00 0.00 WT1 H ATOM 4390 OH2 TIP3 434 70.428 64.500 61.060 1.00 0.00 WT1 O ATOM 4391 H1 TIP3 434 71.050 64.177 60.408 1.00 0.00 WT1 H ATOM 4392 H2 TIP3 434 70.222 63.734 61.595 1.00 0.00 WT1 H ATOM 4393 OH2 TIP3 435 67.274 47.795 58.868 1.00 0.00 WT1 O ATOM 4394 H1 TIP3 435 66.628 48.092 58.228 1.00 0.00 WT1 H ATOM 4395 H2 TIP3 435 68.033 48.361 58.723 1.00 0.00 WT1 H ATOM 4396 OH2 TIP3 436 60.751 46.867 -0.387 1.00 0.00 WT1 O ATOM 4397 H1 TIP3 436 60.456 47.772 -0.482 1.00 0.00 WT1 H ATOM 4398 H2 TIP3 436 61.514 46.922 0.188 1.00 0.00 WT1 H ATOM 4399 OH2 TIP3 437 77.076 1.133 -13.995 1.00 0.00 WT1 O ATOM 4400 H1 TIP3 437 76.905 0.229 -14.259 1.00 0.00 WT1 H ATOM 4401 H2 TIP3 437 76.244 1.585 -14.134 1.00 0.00 WT1 H ATOM 4402 OH2 TIP3 438 63.999 82.148 -18.226 1.00 0.00 WT1 O ATOM 4403 H1 TIP3 438 63.878 82.189 -17.278 1.00 0.00 WT1 H ATOM 4404 H2 TIP3 438 64.594 82.871 -18.425 1.00 0.00 WT1 H ATOM 4405 OH2 TIP3 439 27.466 81.394 -14.080 1.00 0.00 WT1 O ATOM 4406 H1 TIP3 439 28.322 81.791 -14.243 1.00 0.00 WT1 H ATOM 4407 H2 TIP3 439 27.659 80.474 -13.898 1.00 0.00 WT1 H ATOM 4408 OH2 TIP3 440 64.652 87.593 27.808 1.00 0.00 WT1 O ATOM 4409 H1 TIP3 440 64.810 86.799 28.318 1.00 0.00 WT1 H ATOM 4410 H2 TIP3 440 64.243 87.282 27.000 1.00 0.00 WT1 H ATOM 4411 OH2 TIP3 441 46.217 81.339 17.653 1.00 0.00 WT1 O ATOM 4412 H1 TIP3 441 46.011 81.100 18.556 1.00 0.00 WT1 H ATOM 4413 H2 TIP3 441 45.821 82.203 17.537 1.00 0.00 WT1 H ATOM 4414 OH2 TIP3 442 53.952 25.876 15.184 1.00 0.00 WT1 O ATOM 4415 H1 TIP3 442 53.450 26.373 14.538 1.00 0.00 WT1 H ATOM 4416 H2 TIP3 442 53.486 26.015 16.009 1.00 0.00 WT1 H ATOM 4417 OH2 TIP3 443 78.031 70.541 20.280 1.00 0.00 WT1 O ATOM 4418 H1 TIP3 443 77.253 70.165 19.868 1.00 0.00 WT1 H ATOM 4419 H2 TIP3 443 78.674 70.596 19.573 1.00 0.00 WT1 H ATOM 4420 OH2 TIP3 444 72.882 38.577 26.558 1.00 0.00 WT1 O ATOM 4421 H1 TIP3 444 72.224 38.476 25.870 1.00 0.00 WT1 H ATOM 4422 H2 TIP3 444 73.451 37.813 26.459 1.00 0.00 WT1 H ATOM 4423 OH2 TIP3 446 88.346 64.568 44.007 1.00 0.00 WT1 O ATOM 4424 H1 TIP3 446 87.730 65.301 44.003 1.00 0.00 WT1 H ATOM 4425 H2 TIP3 446 87.791 63.789 44.025 1.00 0.00 WT1 H ATOM 4426 OH2 TIP3 447 79.076 62.428 -6.088 1.00 0.00 WT1 O ATOM 4427 H1 TIP3 447 79.899 62.859 -6.320 1.00 0.00 WT1 H ATOM 4428 H2 TIP3 447 78.808 61.976 -6.888 1.00 0.00 WT1 H ATOM 4429 OH2 TIP3 448 68.619 22.162 23.987 1.00 0.00 WT1 O ATOM 4430 H1 TIP3 448 69.007 23.015 23.794 1.00 0.00 WT1 H ATOM 4431 H2 TIP3 448 67.829 22.366 24.488 1.00 0.00 WT1 H ATOM 4432 OH2 TIP3 450 60.999 91.672 37.174 1.00 0.00 WT1 O ATOM 4433 H1 TIP3 450 60.405 91.855 37.901 1.00 0.00 WT1 H ATOM 4434 H2 TIP3 450 61.636 91.055 37.533 1.00 0.00 WT1 H ATOM 4435 OH2 TIP3 451 66.149 39.447 -8.279 1.00 0.00 WT1 O ATOM 4436 H1 TIP3 451 65.903 39.740 -9.156 1.00 0.00 WT1 H ATOM 4437 H2 TIP3 451 66.915 38.889 -8.418 1.00 0.00 WT1 H ATOM 4438 OH2 TIP3 452 24.122 56.563 37.684 1.00 0.00 WT1 O ATOM 4439 H1 TIP3 452 24.945 56.904 37.334 1.00 0.00 WT1 H ATOM 4440 H2 TIP3 452 23.750 56.051 36.966 1.00 0.00 WT1 H ATOM 4441 OH2 TIP3 453 89.912 22.538 -7.253 1.00 0.00 WT1 O ATOM 4442 H1 TIP3 453 90.380 23.160 -6.696 1.00 0.00 WT1 H ATOM 4443 H2 TIP3 453 89.162 22.261 -6.726 1.00 0.00 WT1 H ATOM 4444 OH2 TIP3 454 44.490 94.397 14.610 1.00 0.00 WT1 O ATOM 4445 H1 TIP3 454 43.740 94.614 14.056 1.00 0.00 WT1 H ATOM 4446 H2 TIP3 454 44.826 93.577 14.249 1.00 0.00 WT1 H ATOM 4447 OH2 TIP3 455 36.624 3.665 61.477 1.00 0.00 WT1 O ATOM 4448 H1 TIP3 455 35.731 3.843 61.181 1.00 0.00 WT1 H ATOM 4449 H2 TIP3 455 36.548 3.575 62.427 1.00 0.00 WT1 H ATOM 4450 OH2 TIP3 456 32.111 72.668 31.457 1.00 0.00 WT1 O ATOM 4451 H1 TIP3 456 32.499 72.313 32.257 1.00 0.00 WT1 H ATOM 4452 H2 TIP3 456 31.757 73.518 31.719 1.00 0.00 WT1 H ATOM 4453 OH2 TIP3 457 32.179 18.397 18.120 1.00 0.00 WT1 O ATOM 4454 H1 TIP3 457 31.636 18.499 18.902 1.00 0.00 WT1 H ATOM 4455 H2 TIP3 457 32.100 19.235 17.663 1.00 0.00 WT1 H ATOM 4456 OH2 TIP3 458 70.851 46.508 31.042 1.00 0.00 WT1 O ATOM 4457 H1 TIP3 458 70.786 45.742 30.471 1.00 0.00 WT1 H ATOM 4458 H2 TIP3 458 69.954 46.663 31.338 1.00 0.00 WT1 H ATOM 4459 OH2 TIP3 459 73.771 33.294 44.176 1.00 0.00 WT1 O ATOM 4460 H1 TIP3 459 73.246 32.631 43.728 1.00 0.00 WT1 H ATOM 4461 H2 TIP3 459 74.676 33.067 43.964 1.00 0.00 WT1 H ATOM 4462 OH2 TIP3 460 66.976 32.184 -4.630 1.00 0.00 WT1 O ATOM 4463 H1 TIP3 460 67.550 31.420 -4.576 1.00 0.00 WT1 H ATOM 4464 H2 TIP3 460 66.998 32.563 -3.751 1.00 0.00 WT1 H ATOM 4465 OH2 TIP3 461 73.661 85.784 10.060 1.00 0.00 WT1 O ATOM 4466 H1 TIP3 461 74.133 85.035 9.697 1.00 0.00 WT1 H ATOM 4467 H2 TIP3 461 74.065 85.930 10.916 1.00 0.00 WT1 H ATOM 4468 OH2 TIP3 462 85.133 16.447 -11.157 1.00 0.00 WT1 O ATOM 4469 H1 TIP3 462 84.219 16.730 -11.161 1.00 0.00 WT1 H ATOM 4470 H2 TIP3 462 85.506 16.832 -11.951 1.00 0.00 WT1 H ATOM 4471 OH2 TIP3 463 75.125 28.445 -15.550 1.00 0.00 WT1 O ATOM 4472 H1 TIP3 463 75.252 29.081 -16.254 1.00 0.00 WT1 H ATOM 4473 H2 TIP3 463 74.218 28.575 -15.271 1.00 0.00 WT1 H ATOM 4474 OH2 TIP3 465 24.621 6.110 43.243 1.00 0.00 WT1 O ATOM 4475 H1 TIP3 465 24.329 6.103 42.331 1.00 0.00 WT1 H ATOM 4476 H2 TIP3 465 25.371 5.516 43.259 1.00 0.00 WT1 H ATOM 4477 OH2 TIP3 466 82.910 21.566 10.632 1.00 0.00 WT1 O ATOM 4478 H1 TIP3 466 82.336 21.079 11.224 1.00 0.00 WT1 H ATOM 4479 H2 TIP3 466 82.373 22.295 10.324 1.00 0.00 WT1 H ATOM 4480 OH2 TIP3 467 66.122 28.401 35.184 1.00 0.00 WT1 O ATOM 4481 H1 TIP3 467 65.347 28.709 34.714 1.00 0.00 WT1 H ATOM 4482 H2 TIP3 467 65.843 27.582 35.595 1.00 0.00 WT1 H ATOM 4483 OH2 TIP3 468 35.960 17.712 -3.206 1.00 0.00 WT1 O ATOM 4484 H1 TIP3 468 36.686 18.275 -3.473 1.00 0.00 WT1 H ATOM 4485 H2 TIP3 468 35.672 17.292 -4.016 1.00 0.00 WT1 H ATOM 4486 OH2 TIP3 469 49.216 85.626 21.802 1.00 0.00 WT1 O ATOM 4487 H1 TIP3 469 49.321 86.384 21.227 1.00 0.00 WT1 H ATOM 4488 H2 TIP3 469 49.921 85.031 21.546 1.00 0.00 WT1 H ATOM 4489 OH2 TIP3 470 58.897 70.592 -17.695 1.00 0.00 WT1 O ATOM 4490 H1 TIP3 470 59.677 70.050 -17.578 1.00 0.00 WT1 H ATOM 4491 H2 TIP3 470 58.176 70.046 -17.382 1.00 0.00 WT1 H ATOM 4492 OH2 TIP3 471 32.633 76.134 -10.343 1.00 0.00 WT1 O ATOM 4493 H1 TIP3 471 33.352 76.460 -10.884 1.00 0.00 WT1 H ATOM 4494 H2 TIP3 471 32.915 75.260 -10.071 1.00 0.00 WT1 H ATOM 4495 OH2 TIP3 472 62.002 37.379 -1.285 1.00 0.00 WT1 O ATOM 4496 H1 TIP3 472 62.888 37.387 -0.923 1.00 0.00 WT1 H ATOM 4497 H2 TIP3 472 61.468 37.814 -0.620 1.00 0.00 WT1 H ATOM 4498 OH2 TIP3 473 34.032 52.430 -3.478 1.00 0.00 WT1 O ATOM 4499 H1 TIP3 473 33.987 53.289 -3.059 1.00 0.00 WT1 H ATOM 4500 H2 TIP3 473 34.673 51.944 -2.959 1.00 0.00 WT1 H ATOM 4501 OH2 TIP3 474 50.235 41.091 3.368 1.00 0.00 WT1 O ATOM 4502 H1 TIP3 474 50.954 41.581 3.767 1.00 0.00 WT1 H ATOM 4503 H2 TIP3 474 50.303 40.214 3.745 1.00 0.00 WT1 H ATOM 4504 OH2 TIP3 475 24.926 11.062 -1.363 1.00 0.00 WT1 O ATOM 4505 H1 TIP3 475 25.231 10.779 -2.225 1.00 0.00 WT1 H ATOM 4506 H2 TIP3 475 24.141 11.578 -1.543 1.00 0.00 WT1 H ATOM 4507 OH2 TIP3 476 78.141 34.347 -14.878 1.00 0.00 WT1 O ATOM 4508 H1 TIP3 476 78.794 34.376 -15.577 1.00 0.00 WT1 H ATOM 4509 H2 TIP3 476 78.585 34.725 -14.119 1.00 0.00 WT1 H ATOM 4510 OH2 TIP3 477 28.244 10.898 -7.470 1.00 0.00 WT1 O ATOM 4511 H1 TIP3 477 28.025 10.146 -8.019 1.00 0.00 WT1 H ATOM 4512 H2 TIP3 477 28.177 10.569 -6.573 1.00 0.00 WT1 H ATOM 4513 OH2 TIP3 478 50.611 83.078 48.900 1.00 0.00 WT1 O ATOM 4514 H1 TIP3 478 51.113 83.893 48.921 1.00 0.00 WT1 H ATOM 4515 H2 TIP3 478 50.113 83.125 48.084 1.00 0.00 WT1 H ATOM 4516 OH2 TIP3 479 52.102 10.149 18.741 1.00 0.00 WT1 O ATOM 4517 H1 TIP3 479 51.327 10.596 18.400 1.00 0.00 WT1 H ATOM 4518 H2 TIP3 479 52.791 10.346 18.107 1.00 0.00 WT1 H ATOM 4519 OH2 TIP3 480 68.515 63.783 35.530 1.00 0.00 WT1 O ATOM 4520 H1 TIP3 480 67.842 63.339 35.013 1.00 0.00 WT1 H ATOM 4521 H2 TIP3 480 69.317 63.682 35.017 1.00 0.00 WT1 H ATOM 4522 OH2 TIP3 481 55.263 52.957 65.560 1.00 0.00 WT1 O ATOM 4523 H1 TIP3 481 55.452 53.129 66.483 1.00 0.00 WT1 H ATOM 4524 H2 TIP3 481 54.919 53.785 65.227 1.00 0.00 WT1 H ATOM 4525 OH2 TIP3 482 33.642 93.060 59.444 1.00 0.00 WT1 O ATOM 4526 H1 TIP3 482 33.654 92.132 59.678 1.00 0.00 WT1 H ATOM 4527 H2 TIP3 482 33.017 93.116 58.721 1.00 0.00 WT1 H ATOM 4528 OH2 TIP3 483 51.028 15.674 62.933 1.00 0.00 WT1 O ATOM 4529 H1 TIP3 483 50.559 15.516 62.114 1.00 0.00 WT1 H ATOM 4530 H2 TIP3 483 51.549 16.458 62.765 1.00 0.00 WT1 H ATOM 4531 OH2 TIP3 484 72.042 94.102 17.622 1.00 0.00 WT1 O ATOM 4532 H1 TIP3 484 71.258 94.443 18.052 1.00 0.00 WT1 H ATOM 4533 H2 TIP3 484 72.641 94.848 17.589 1.00 0.00 WT1 H ATOM 4534 OH2 TIP3 485 86.068 85.525 17.131 1.00 0.00 WT1 O ATOM 4535 H1 TIP3 485 86.373 86.031 16.378 1.00 0.00 WT1 H ATOM 4536 H2 TIP3 485 86.822 85.491 17.719 1.00 0.00 WT1 H ATOM 4537 OH2 TIP3 486 46.323 78.355 4.042 1.00 0.00 WT1 O ATOM 4538 H1 TIP3 486 46.312 77.581 3.478 1.00 0.00 WT1 H ATOM 4539 H2 TIP3 486 47.093 78.236 4.598 1.00 0.00 WT1 H ATOM 4540 OH2 TIP3 487 70.862 38.095 -19.074 1.00 0.00 WT1 O ATOM 4541 H1 TIP3 487 71.449 37.886 -18.347 1.00 0.00 WT1 H ATOM 4542 H2 TIP3 487 70.916 37.334 -19.652 1.00 0.00 WT1 H ATOM 4543 OH2 TIP3 488 75.671 61.394 57.830 1.00 0.00 WT1 O ATOM 4544 H1 TIP3 488 75.284 60.608 57.446 1.00 0.00 WT1 H ATOM 4545 H2 TIP3 488 75.838 61.969 57.084 1.00 0.00 WT1 H ATOM 4546 OH2 TIP3 489 32.264 75.510 -17.988 1.00 0.00 WT1 O ATOM 4547 H1 TIP3 489 32.628 76.125 -18.625 1.00 0.00 WT1 H ATOM 4548 H2 TIP3 489 32.091 76.044 -17.212 1.00 0.00 WT1 H ATOM 4549 OH2 TIP3 490 28.945 15.789 -5.077 1.00 0.00 WT1 O ATOM 4550 H1 TIP3 490 29.611 15.106 -4.995 1.00 0.00 WT1 H ATOM 4551 H2 TIP3 490 29.258 16.498 -4.516 1.00 0.00 WT1 H ATOM 4552 OH2 TIP3 491 49.228 15.500 60.508 1.00 0.00 WT1 O ATOM 4553 H1 TIP3 491 48.896 14.619 60.334 1.00 0.00 WT1 H ATOM 4554 H2 TIP3 491 48.567 16.083 60.136 1.00 0.00 WT1 H ATOM 4555 OH2 TIP3 492 73.538 83.026 30.020 1.00 0.00 WT1 O ATOM 4556 H1 TIP3 492 72.920 82.611 29.417 1.00 0.00 WT1 H ATOM 4557 H2 TIP3 492 73.729 82.351 30.671 1.00 0.00 WT1 H ATOM 4558 OH2 TIP3 493 22.479 44.994 -8.240 1.00 0.00 WT1 O ATOM 4559 H1 TIP3 493 22.074 45.347 -7.448 1.00 0.00 WT1 H ATOM 4560 H2 TIP3 493 23.047 45.698 -8.554 1.00 0.00 WT1 H ATOM 4561 OH2 TIP3 494 27.854 11.145 1.649 1.00 0.00 WT1 O ATOM 4562 H1 TIP3 494 27.760 12.097 1.690 1.00 0.00 WT1 H ATOM 4563 H2 TIP3 494 28.396 10.991 0.875 1.00 0.00 WT1 H ATOM 4564 OH2 TIP3 495 56.677 27.888 -2.914 1.00 0.00 WT1 O ATOM 4565 H1 TIP3 495 57.472 28.404 -3.053 1.00 0.00 WT1 H ATOM 4566 H2 TIP3 495 55.964 28.523 -2.985 1.00 0.00 WT1 H ATOM 4567 OH2 TIP3 496 40.284 81.801 10.948 1.00 0.00 WT1 O ATOM 4568 H1 TIP3 496 40.512 82.533 11.521 1.00 0.00 WT1 H ATOM 4569 H2 TIP3 496 41.077 81.266 10.916 1.00 0.00 WT1 H ATOM 4570 OH2 TIP3 497 23.674 78.833 16.263 1.00 0.00 WT1 O ATOM 4571 H1 TIP3 497 23.570 78.725 17.208 1.00 0.00 WT1 H ATOM 4572 H2 TIP3 497 23.084 78.184 15.880 1.00 0.00 WT1 H ATOM 4573 OH2 TIP3 498 70.160 25.096 14.447 1.00 0.00 WT1 O ATOM 4574 H1 TIP3 498 70.616 25.936 14.404 1.00 0.00 WT1 H ATOM 4575 H2 TIP3 498 69.852 25.035 15.351 1.00 0.00 WT1 H ATOM 4576 OH2 TIP3 499 29.134 17.052 12.037 1.00 0.00 WT1 O ATOM 4577 H1 TIP3 499 28.491 17.759 12.084 1.00 0.00 WT1 H ATOM 4578 H2 TIP3 499 29.870 17.361 12.566 1.00 0.00 WT1 H ATOM 4579 OH2 TIP3 500 81.388 68.404 24.073 1.00 0.00 WT1 O ATOM 4580 H1 TIP3 500 81.757 67.546 23.862 1.00 0.00 WT1 H ATOM 4581 H2 TIP3 500 80.803 68.600 23.341 1.00 0.00 WT1 H ATOM 4582 OH2 TIP3 501 43.479 48.298 2.354 1.00 0.00 WT1 O ATOM 4583 H1 TIP3 501 44.382 48.066 2.571 1.00 0.00 WT1 H ATOM 4584 H2 TIP3 501 43.089 48.553 3.190 1.00 0.00 WT1 H ATOM 4585 OH2 TIP3 502 32.686 79.787 47.030 1.00 0.00 WT1 O ATOM 4586 H1 TIP3 502 33.509 79.308 47.128 1.00 0.00 WT1 H ATOM 4587 H2 TIP3 502 32.542 79.826 46.085 1.00 0.00 WT1 H ATOM 4588 OH2 TIP3 503 35.271 14.509 47.616 1.00 0.00 WT1 O ATOM 4589 H1 TIP3 503 35.386 13.798 46.985 1.00 0.00 WT1 H ATOM 4590 H2 TIP3 503 36.158 14.709 47.915 1.00 0.00 WT1 H ATOM 4591 OH2 TIP3 504 65.515 85.686 10.781 1.00 0.00 WT1 O ATOM 4592 H1 TIP3 504 65.505 84.893 10.244 1.00 0.00 WT1 H ATOM 4593 H2 TIP3 504 66.063 85.460 11.533 1.00 0.00 WT1 H ATOM 4594 OH2 TIP3 505 82.980 81.150 5.208 1.00 0.00 WT1 O ATOM 4595 H1 TIP3 505 83.311 80.542 4.547 1.00 0.00 WT1 H ATOM 4596 H2 TIP3 505 82.391 80.621 5.746 1.00 0.00 WT1 H ATOM 4597 OH2 TIP3 506 90.405 0.580 23.186 1.00 0.00 WT1 O ATOM 4598 H1 TIP3 506 89.832 1.027 23.809 1.00 0.00 WT1 H ATOM 4599 H2 TIP3 506 90.011 -0.286 23.076 1.00 0.00 WT1 H ATOM 4600 OH2 TIP3 507 59.908 33.470 46.069 1.00 0.00 WT1 O ATOM 4601 H1 TIP3 507 60.088 32.572 45.791 1.00 0.00 WT1 H ATOM 4602 H2 TIP3 507 60.417 34.014 45.468 1.00 0.00 WT1 H ATOM 4603 OH2 TIP3 508 81.322 10.531 39.165 1.00 0.00 WT1 O ATOM 4604 H1 TIP3 508 81.394 11.476 39.299 1.00 0.00 WT1 H ATOM 4605 H2 TIP3 508 80.425 10.400 38.859 1.00 0.00 WT1 H ATOM 4606 OH2 TIP3 509 44.008 65.982 3.506 1.00 0.00 WT1 O ATOM 4607 H1 TIP3 509 44.384 65.762 4.359 1.00 0.00 WT1 H ATOM 4608 H2 TIP3 509 44.564 66.687 3.174 1.00 0.00 WT1 H ATOM 4609 OH2 TIP3 510 45.250 88.260 16.020 1.00 0.00 WT1 O ATOM 4610 H1 TIP3 510 44.463 88.551 15.559 1.00 0.00 WT1 H ATOM 4611 H2 TIP3 510 45.566 87.514 15.510 1.00 0.00 WT1 H ATOM 4612 OH2 TIP3 511 37.298 9.717 39.881 1.00 0.00 WT1 O ATOM 4613 H1 TIP3 511 36.646 10.418 39.902 1.00 0.00 WT1 H ATOM 4614 H2 TIP3 511 37.738 9.774 40.729 1.00 0.00 WT1 H ATOM 4615 OH2 TIP3 512 33.885 13.334 50.913 1.00 0.00 WT1 O ATOM 4616 H1 TIP3 512 34.172 13.559 50.028 1.00 0.00 WT1 H ATOM 4617 H2 TIP3 512 32.943 13.185 50.829 1.00 0.00 WT1 H ATOM 4618 OH2 TIP3 513 29.090 65.197 34.124 1.00 0.00 WT1 O ATOM 4619 H1 TIP3 513 28.693 66.054 33.969 1.00 0.00 WT1 H ATOM 4620 H2 TIP3 513 29.784 65.131 33.468 1.00 0.00 WT1 H ATOM 4621 OH2 TIP3 514 22.686 28.868 34.446 1.00 0.00 WT1 O ATOM 4622 H1 TIP3 514 22.020 29.204 35.046 1.00 0.00 WT1 H ATOM 4623 H2 TIP3 514 22.438 27.956 34.298 1.00 0.00 WT1 H ATOM 4624 OH2 TIP3 515 78.066 47.788 16.641 1.00 0.00 WT1 O ATOM 4625 H1 TIP3 515 77.291 48.234 16.981 1.00 0.00 WT1 H ATOM 4626 H2 TIP3 515 77.792 47.448 15.789 1.00 0.00 WT1 H ATOM 4627 OH2 TIP3 516 71.970 91.931 21.771 1.00 0.00 WT1 O ATOM 4628 H1 TIP3 516 71.633 92.823 21.692 1.00 0.00 WT1 H ATOM 4629 H2 TIP3 516 72.919 92.025 21.692 1.00 0.00 WT1 H ATOM 4630 OH2 TIP3 517 53.135 23.325 60.224 1.00 0.00 WT1 O ATOM 4631 H1 TIP3 517 52.992 22.721 59.495 1.00 0.00 WT1 H ATOM 4632 H2 TIP3 517 53.382 24.150 59.807 1.00 0.00 WT1 H ATOM 4633 OH2 TIP3 518 41.054 85.701 -7.724 1.00 0.00 WT1 O ATOM 4634 H1 TIP3 518 41.445 85.149 -7.047 1.00 0.00 WT1 H ATOM 4635 H2 TIP3 518 41.196 86.596 -7.416 1.00 0.00 WT1 H ATOM 4636 OH2 TIP3 519 50.038 27.037 18.842 1.00 0.00 WT1 O ATOM 4637 H1 TIP3 519 49.816 27.714 19.482 1.00 0.00 WT1 H ATOM 4638 H2 TIP3 519 49.200 26.791 18.452 1.00 0.00 WT1 H ATOM 4639 OH2 TIP3 521 87.377 58.654 29.486 1.00 0.00 WT1 O ATOM 4640 H1 TIP3 521 86.892 58.690 30.310 1.00 0.00 WT1 H ATOM 4641 H2 TIP3 521 88.263 58.931 29.717 1.00 0.00 WT1 H ATOM 4642 OH2 TIP3 522 53.966 1.783 22.745 1.00 0.00 WT1 O ATOM 4643 H1 TIP3 522 53.527 2.598 22.501 1.00 0.00 WT1 H ATOM 4644 H2 TIP3 522 54.622 1.650 22.061 1.00 0.00 WT1 H ATOM 4645 OH2 TIP3 523 78.908 35.094 42.152 1.00 0.00 WT1 O ATOM 4646 H1 TIP3 523 78.973 34.424 42.833 1.00 0.00 WT1 H ATOM 4647 H2 TIP3 523 78.589 35.871 42.611 1.00 0.00 WT1 H ATOM 4648 OH2 TIP3 524 26.854 90.601 50.606 1.00 0.00 WT1 O ATOM 4649 H1 TIP3 524 26.071 91.094 50.362 1.00 0.00 WT1 H ATOM 4650 H2 TIP3 524 27.227 91.091 51.339 1.00 0.00 WT1 H ATOM 4651 OH2 TIP3 525 53.244 75.174 58.711 1.00 0.00 WT1 O ATOM 4652 H1 TIP3 525 52.396 75.134 58.269 1.00 0.00 WT1 H ATOM 4653 H2 TIP3 525 53.326 74.329 59.152 1.00 0.00 WT1 H ATOM 4654 OH2 TIP3 526 76.328 39.147 15.123 1.00 0.00 WT1 O ATOM 4655 H1 TIP3 526 75.581 38.554 15.039 1.00 0.00 WT1 H ATOM 4656 H2 TIP3 526 75.936 40.014 15.227 1.00 0.00 WT1 H ATOM 4657 OH2 TIP3 527 54.440 3.747 14.952 1.00 0.00 WT1 O ATOM 4658 H1 TIP3 527 53.542 4.074 14.900 1.00 0.00 WT1 H ATOM 4659 H2 TIP3 527 54.968 4.524 15.135 1.00 0.00 WT1 H ATOM 4660 OH2 TIP3 528 77.719 73.345 40.310 1.00 0.00 WT1 O ATOM 4661 H1 TIP3 528 78.148 72.511 40.502 1.00 0.00 WT1 H ATOM 4662 H2 TIP3 528 78.283 73.760 39.658 1.00 0.00 WT1 H ATOM 4663 OH2 TIP3 529 33.599 34.672 -9.985 1.00 0.00 WT1 O ATOM 4664 H1 TIP3 529 33.182 33.814 -10.064 1.00 0.00 WT1 H ATOM 4665 H2 TIP3 529 33.435 34.937 -9.080 1.00 0.00 WT1 H ATOM 4666 OH2 TIP3 530 89.904 40.527 -12.440 1.00 0.00 WT1 O ATOM 4667 H1 TIP3 530 90.301 41.380 -12.614 1.00 0.00 WT1 H ATOM 4668 H2 TIP3 530 90.149 40.328 -11.536 1.00 0.00 WT1 H ATOM 4669 OH2 TIP3 531 26.282 61.779 63.647 1.00 0.00 WT1 O ATOM 4670 H1 TIP3 531 27.025 62.325 63.390 1.00 0.00 WT1 H ATOM 4671 H2 TIP3 531 26.382 61.665 64.592 1.00 0.00 WT1 H ATOM 4672 OH2 TIP3 532 83.969 59.988 32.041 1.00 0.00 WT1 O ATOM 4673 H1 TIP3 532 83.541 60.813 32.269 1.00 0.00 WT1 H ATOM 4674 H2 TIP3 532 83.925 59.952 31.085 1.00 0.00 WT1 H ATOM 4675 OH2 TIP3 533 25.392 39.405 -11.514 1.00 0.00 WT1 O ATOM 4676 H1 TIP3 533 25.882 40.223 -11.594 1.00 0.00 WT1 H ATOM 4677 H2 TIP3 533 24.946 39.474 -10.670 1.00 0.00 WT1 H ATOM 4678 OH2 TIP3 534 43.770 16.501 18.290 1.00 0.00 WT1 O ATOM 4679 H1 TIP3 534 43.901 16.788 17.386 1.00 0.00 WT1 H ATOM 4680 H2 TIP3 534 43.162 17.142 18.659 1.00 0.00 WT1 H ATOM 4681 OH2 TIP3 535 41.449 9.615 16.141 1.00 0.00 WT1 O ATOM 4682 H1 TIP3 535 41.010 10.162 16.793 1.00 0.00 WT1 H ATOM 4683 H2 TIP3 535 41.568 8.771 16.577 1.00 0.00 WT1 H ATOM 4684 OH2 TIP3 536 53.982 19.554 57.206 1.00 0.00 WT1 O ATOM 4685 H1 TIP3 536 53.476 19.572 56.393 1.00 0.00 WT1 H ATOM 4686 H2 TIP3 536 54.853 19.860 56.953 1.00 0.00 WT1 H ATOM 4687 OH2 TIP3 537 46.847 44.296 -6.014 1.00 0.00 WT1 O ATOM 4688 H1 TIP3 537 46.023 44.626 -5.657 1.00 0.00 WT1 H ATOM 4689 H2 TIP3 537 47.518 44.864 -5.635 1.00 0.00 WT1 H ATOM 4690 OH2 TIP3 538 69.993 96.584 60.751 1.00 0.00 WT1 O ATOM 4691 H1 TIP3 538 69.976 96.190 61.624 1.00 0.00 WT1 H ATOM 4692 H2 TIP3 538 69.554 95.945 60.191 1.00 0.00 WT1 H ATOM 4693 OH2 TIP3 539 81.979 45.788 36.012 1.00 0.00 WT1 O ATOM 4694 H1 TIP3 539 82.780 45.265 35.983 1.00 0.00 WT1 H ATOM 4695 H2 TIP3 539 81.275 45.145 36.094 1.00 0.00 WT1 H ATOM 4696 OH2 TIP3 540 74.871 27.845 15.376 1.00 0.00 WT1 O ATOM 4697 H1 TIP3 540 74.545 27.393 14.598 1.00 0.00 WT1 H ATOM 4698 H2 TIP3 540 74.721 28.773 15.195 1.00 0.00 WT1 H ATOM 4699 OH2 TIP3 541 45.333 21.828 -12.480 1.00 0.00 WT1 O ATOM 4700 H1 TIP3 541 45.078 21.878 -11.559 1.00 0.00 WT1 H ATOM 4701 H2 TIP3 541 45.393 20.890 -12.662 1.00 0.00 WT1 H ATOM 4702 OH2 TIP3 542 66.132 70.618 16.406 1.00 0.00 WT1 O ATOM 4703 H1 TIP3 542 66.378 69.822 15.934 1.00 0.00 WT1 H ATOM 4704 H2 TIP3 542 65.214 70.483 16.643 1.00 0.00 WT1 H ATOM 4705 OH2 TIP3 543 32.597 71.815 62.268 1.00 0.00 WT1 O ATOM 4706 H1 TIP3 543 31.914 72.468 62.422 1.00 0.00 WT1 H ATOM 4707 H2 TIP3 543 33.199 71.918 63.005 1.00 0.00 WT1 H ATOM 4708 OH2 TIP3 544 56.502 31.618 10.668 1.00 0.00 WT1 O ATOM 4709 H1 TIP3 544 55.755 31.285 11.166 1.00 0.00 WT1 H ATOM 4710 H2 TIP3 544 56.138 32.324 10.134 1.00 0.00 WT1 H ATOM 4711 OH2 TIP3 546 56.751 91.311 63.808 1.00 0.00 WT1 O ATOM 4712 H1 TIP3 546 57.288 91.728 64.481 1.00 0.00 WT1 H ATOM 4713 H2 TIP3 546 57.316 90.636 63.433 1.00 0.00 WT1 H ATOM 4714 OH2 TIP3 547 89.056 14.727 36.144 1.00 0.00 WT1 O ATOM 4715 H1 TIP3 547 88.908 15.653 36.339 1.00 0.00 WT1 H ATOM 4716 H2 TIP3 547 89.640 14.426 36.840 1.00 0.00 WT1 H ATOM 4717 OH2 TIP3 549 37.634 0.907 -14.817 1.00 0.00 WT1 O ATOM 4718 H1 TIP3 549 38.240 1.426 -14.288 1.00 0.00 WT1 H ATOM 4719 H2 TIP3 549 38.029 0.035 -14.849 1.00 0.00 WT1 H ATOM 4720 OH2 TIP3 550 36.563 18.045 -19.099 1.00 0.00 WT1 O ATOM 4721 H1 TIP3 550 37.349 17.531 -19.282 1.00 0.00 WT1 H ATOM 4722 H2 TIP3 550 36.570 18.167 -18.150 1.00 0.00 WT1 H ATOM 4723 OH2 TIP3 551 79.511 72.143 22.438 1.00 0.00 WT1 O ATOM 4724 H1 TIP3 551 80.285 71.665 22.735 1.00 0.00 WT1 H ATOM 4725 H2 TIP3 551 78.782 71.729 22.900 1.00 0.00 WT1 H ATOM 4726 OH2 TIP3 552 86.530 35.203 54.043 1.00 0.00 WT1 O ATOM 4727 H1 TIP3 552 86.221 34.575 53.390 1.00 0.00 WT1 H ATOM 4728 H2 TIP3 552 86.811 34.662 54.781 1.00 0.00 WT1 H ATOM 4729 OH2 TIP3 553 71.121 16.216 66.293 1.00 0.00 WT1 O ATOM 4730 H1 TIP3 553 70.664 15.426 66.582 1.00 0.00 WT1 H ATOM 4731 H2 TIP3 553 70.767 16.392 65.421 1.00 0.00 WT1 H ATOM 4732 OH2 TIP3 554 80.342 35.302 4.601 1.00 0.00 WT1 O ATOM 4733 H1 TIP3 554 79.603 35.729 4.168 1.00 0.00 WT1 H ATOM 4734 H2 TIP3 554 80.887 36.024 4.913 1.00 0.00 WT1 H ATOM 4735 OH2 TIP3 555 79.353 32.821 5.984 1.00 0.00 WT1 O ATOM 4736 H1 TIP3 555 79.468 33.103 6.892 1.00 0.00 WT1 H ATOM 4737 H2 TIP3 555 79.603 33.584 5.463 1.00 0.00 WT1 H ATOM 4738 OH2 TIP3 556 38.275 21.271 60.836 1.00 0.00 WT1 O ATOM 4739 H1 TIP3 556 39.033 21.008 60.314 1.00 0.00 WT1 H ATOM 4740 H2 TIP3 556 38.648 21.591 61.658 1.00 0.00 WT1 H ATOM 4741 OH2 TIP3 557 50.910 67.797 -7.032 1.00 0.00 WT1 O ATOM 4742 H1 TIP3 557 51.487 67.672 -6.278 1.00 0.00 WT1 H ATOM 4743 H2 TIP3 557 51.296 67.259 -7.722 1.00 0.00 WT1 H ATOM 4744 OH2 TIP3 558 83.827 19.243 -11.265 1.00 0.00 WT1 O ATOM 4745 H1 TIP3 558 83.639 19.341 -10.332 1.00 0.00 WT1 H ATOM 4746 H2 TIP3 558 84.782 19.189 -11.313 1.00 0.00 WT1 H ATOM 4747 OH2 TIP3 559 21.817 63.586 5.912 1.00 0.00 WT1 O ATOM 4748 H1 TIP3 559 22.092 62.947 6.569 1.00 0.00 WT1 H ATOM 4749 H2 TIP3 559 22.190 63.262 5.092 1.00 0.00 WT1 H ATOM 4750 OH2 TIP3 560 23.132 44.876 42.701 1.00 0.00 WT1 O ATOM 4751 H1 TIP3 560 22.611 45.634 42.967 1.00 0.00 WT1 H ATOM 4752 H2 TIP3 560 23.040 44.844 41.749 1.00 0.00 WT1 H ATOM 4753 OH2 TIP3 561 84.366 21.097 -19.442 1.00 0.00 WT1 O ATOM 4754 H1 TIP3 561 84.955 20.489 -19.889 1.00 0.00 WT1 H ATOM 4755 H2 TIP3 561 84.271 20.736 -18.560 1.00 0.00 WT1 H ATOM 4756 OH2 TIP3 562 69.922 68.658 22.079 1.00 0.00 WT1 O ATOM 4757 H1 TIP3 562 69.101 68.465 21.626 1.00 0.00 WT1 H ATOM 4758 H2 TIP3 562 70.569 68.095 21.654 1.00 0.00 WT1 H ATOM 4759 OH2 TIP3 563 39.637 69.495 12.199 1.00 0.00 WT1 O ATOM 4760 H1 TIP3 563 39.852 69.071 13.030 1.00 0.00 WT1 H ATOM 4761 H2 TIP3 563 39.825 68.833 11.535 1.00 0.00 WT1 H ATOM 4762 OH2 TIP3 564 81.990 29.999 58.578 1.00 0.00 WT1 O ATOM 4763 H1 TIP3 564 81.501 29.664 57.827 1.00 0.00 WT1 H ATOM 4764 H2 TIP3 564 82.075 30.937 58.410 1.00 0.00 WT1 H ATOM 4765 OH2 TIP3 565 64.266 16.103 30.075 1.00 0.00 WT1 O ATOM 4766 H1 TIP3 565 64.642 16.471 30.875 1.00 0.00 WT1 H ATOM 4767 H2 TIP3 565 63.977 16.866 29.573 1.00 0.00 WT1 H ATOM 4768 OH2 TIP3 567 79.911 33.880 31.169 1.00 0.00 WT1 O ATOM 4769 H1 TIP3 567 80.361 33.789 30.330 1.00 0.00 WT1 H ATOM 4770 H2 TIP3 567 80.371 34.593 31.612 1.00 0.00 WT1 H ATOM 4771 OH2 TIP3 568 42.146 28.980 -5.736 1.00 0.00 WT1 O ATOM 4772 H1 TIP3 568 42.794 29.121 -5.046 1.00 0.00 WT1 H ATOM 4773 H2 TIP3 568 42.322 28.095 -6.055 1.00 0.00 WT1 H ATOM 4774 OH2 TIP3 569 34.906 12.954 12.802 1.00 0.00 WT1 O ATOM 4775 H1 TIP3 569 35.741 13.387 12.622 1.00 0.00 WT1 H ATOM 4776 H2 TIP3 569 34.731 13.144 13.723 1.00 0.00 WT1 H ATOM 4777 OH2 TIP3 570 55.833 20.323 44.531 1.00 0.00 WT1 O ATOM 4778 H1 TIP3 570 56.712 19.954 44.616 1.00 0.00 WT1 H ATOM 4779 H2 TIP3 570 55.943 21.069 43.941 1.00 0.00 WT1 H ATOM 4780 OH2 TIP3 571 56.357 30.468 -9.499 1.00 0.00 WT1 O ATOM 4781 H1 TIP3 571 56.590 31.080 -8.800 1.00 0.00 WT1 H ATOM 4782 H2 TIP3 571 55.424 30.298 -9.368 1.00 0.00 WT1 H ATOM 4783 OH2 TIP3 572 23.833 2.015 -13.494 1.00 0.00 WT1 O ATOM 4784 H1 TIP3 572 23.998 1.160 -13.892 1.00 0.00 WT1 H ATOM 4785 H2 TIP3 572 23.734 2.610 -14.236 1.00 0.00 WT1 H ATOM 4786 OH2 TIP3 573 48.541 34.651 8.498 1.00 0.00 WT1 O ATOM 4787 H1 TIP3 573 49.007 35.239 9.092 1.00 0.00 WT1 H ATOM 4788 H2 TIP3 573 49.074 33.856 8.479 1.00 0.00 WT1 H ATOM 4789 OH2 TIP3 574 69.878 46.832 38.218 1.00 0.00 WT1 O ATOM 4790 H1 TIP3 574 70.098 46.164 37.569 1.00 0.00 WT1 H ATOM 4791 H2 TIP3 574 68.971 47.069 38.020 1.00 0.00 WT1 H ATOM 4792 OH2 TIP3 575 88.853 81.376 10.897 1.00 0.00 WT1 O ATOM 4793 H1 TIP3 575 88.649 82.278 11.142 1.00 0.00 WT1 H ATOM 4794 H2 TIP3 575 88.185 80.851 11.338 1.00 0.00 WT1 H ATOM 4795 OH2 TIP3 576 28.889 40.777 12.419 1.00 0.00 WT1 O ATOM 4796 H1 TIP3 576 29.522 40.750 13.136 1.00 0.00 WT1 H ATOM 4797 H2 TIP3 576 28.468 41.632 12.503 1.00 0.00 WT1 H ATOM 4798 OH2 TIP3 577 30.550 27.612 25.854 1.00 0.00 WT1 O ATOM 4799 H1 TIP3 577 30.823 27.107 26.620 1.00 0.00 WT1 H ATOM 4800 H2 TIP3 577 30.166 26.964 25.263 1.00 0.00 WT1 H ATOM 4801 OH2 TIP3 578 24.913 18.120 2.888 1.00 0.00 WT1 O ATOM 4802 H1 TIP3 578 25.616 17.470 2.903 1.00 0.00 WT1 H ATOM 4803 H2 TIP3 578 25.363 18.962 2.947 1.00 0.00 WT1 H ATOM 4804 OH2 TIP3 579 86.495 39.183 14.434 1.00 0.00 WT1 O ATOM 4805 H1 TIP3 579 85.542 39.250 14.384 1.00 0.00 WT1 H ATOM 4806 H2 TIP3 579 86.807 39.583 13.622 1.00 0.00 WT1 H ATOM 4807 OH2 TIP3 580 36.577 49.557 1.153 1.00 0.00 WT1 O ATOM 4808 H1 TIP3 580 37.263 49.260 0.555 1.00 0.00 WT1 H ATOM 4809 H2 TIP3 580 37.012 49.624 2.003 1.00 0.00 WT1 H ATOM 4810 OH2 TIP3 581 90.700 10.634 8.188 1.00 0.00 WT1 O ATOM 4811 H1 TIP3 581 91.287 10.181 8.793 1.00 0.00 WT1 H ATOM 4812 H2 TIP3 581 89.824 10.338 8.436 1.00 0.00 WT1 H ATOM 4813 OH2 TIP3 582 68.381 73.038 -18.567 1.00 0.00 WT1 O ATOM 4814 H1 TIP3 582 69.070 73.436 -19.099 1.00 0.00 WT1 H ATOM 4815 H2 TIP3 582 68.752 72.204 -18.279 1.00 0.00 WT1 H ATOM 4816 OH2 TIP3 583 22.793 32.719 14.398 1.00 0.00 WT1 O ATOM 4817 H1 TIP3 583 22.722 33.566 14.838 1.00 0.00 WT1 H ATOM 4818 H2 TIP3 583 22.668 32.075 15.095 1.00 0.00 WT1 H ATOM 4819 OH2 TIP3 584 51.749 10.804 -4.182 1.00 0.00 WT1 O ATOM 4820 H1 TIP3 584 52.629 11.172 -4.265 1.00 0.00 WT1 H ATOM 4821 H2 TIP3 584 51.580 10.392 -5.029 1.00 0.00 WT1 H ATOM 4822 OH2 TIP3 585 78.501 84.688 46.509 1.00 0.00 WT1 O ATOM 4823 H1 TIP3 585 79.153 84.714 45.808 1.00 0.00 WT1 H ATOM 4824 H2 TIP3 585 79.003 84.479 47.296 1.00 0.00 WT1 H ATOM 4825 OH2 TIP3 586 33.006 90.298 -12.578 1.00 0.00 WT1 O ATOM 4826 H1 TIP3 586 32.506 90.243 -11.764 1.00 0.00 WT1 H ATOM 4827 H2 TIP3 586 33.630 91.009 -12.430 1.00 0.00 WT1 H ATOM 4828 OH2 TIP3 587 21.240 84.850 42.468 1.00 0.00 WT1 O ATOM 4829 H1 TIP3 587 20.814 85.370 41.786 1.00 0.00 WT1 H ATOM 4830 H2 TIP3 587 21.965 85.397 42.769 1.00 0.00 WT1 H ATOM 4831 OH2 TIP3 588 37.432 72.472 -10.329 1.00 0.00 WT1 O ATOM 4832 H1 TIP3 588 36.876 73.115 -9.889 1.00 0.00 WT1 H ATOM 4833 H2 TIP3 588 37.762 71.917 -9.622 1.00 0.00 WT1 H ATOM 4834 OH2 TIP3 589 38.825 24.386 30.486 1.00 0.00 WT1 O ATOM 4835 H1 TIP3 589 39.142 24.830 29.699 1.00 0.00 WT1 H ATOM 4836 H2 TIP3 589 38.275 25.036 30.924 1.00 0.00 WT1 H ATOM 4837 OH2 TIP3 590 23.305 34.851 49.679 1.00 0.00 WT1 O ATOM 4838 H1 TIP3 590 23.923 35.258 50.287 1.00 0.00 WT1 H ATOM 4839 H2 TIP3 590 22.671 35.541 49.484 1.00 0.00 WT1 H ATOM 4840 OH2 TIP3 591 88.046 74.583 20.300 1.00 0.00 WT1 O ATOM 4841 H1 TIP3 591 87.244 74.453 19.795 1.00 0.00 WT1 H ATOM 4842 H2 TIP3 591 88.307 73.702 20.567 1.00 0.00 WT1 H ATOM 4843 OH2 TIP3 592 27.167 89.137 66.879 1.00 0.00 WT1 O ATOM 4844 H1 TIP3 592 27.631 89.143 66.042 1.00 0.00 WT1 H ATOM 4845 H2 TIP3 592 26.285 88.834 66.663 1.00 0.00 WT1 H ATOM 4846 OH2 TIP3 593 39.985 21.664 14.914 1.00 0.00 WT1 O ATOM 4847 H1 TIP3 593 40.169 22.346 15.560 1.00 0.00 WT1 H ATOM 4848 H2 TIP3 593 40.663 21.776 14.248 1.00 0.00 WT1 H ATOM 4849 OH2 TIP3 594 69.764 72.007 3.709 1.00 0.00 WT1 O ATOM 4850 H1 TIP3 594 69.620 71.152 4.115 1.00 0.00 WT1 H ATOM 4851 H2 TIP3 594 70.062 71.805 2.822 1.00 0.00 WT1 H ATOM 4852 OH2 TIP3 595 65.391 18.277 38.230 1.00 0.00 WT1 O ATOM 4853 H1 TIP3 595 64.618 18.820 38.076 1.00 0.00 WT1 H ATOM 4854 H2 TIP3 595 66.131 18.856 38.050 1.00 0.00 WT1 H ATOM 4855 OH2 TIP3 596 49.319 41.273 -5.545 1.00 0.00 WT1 O ATOM 4856 H1 TIP3 596 50.215 41.200 -5.216 1.00 0.00 WT1 H ATOM 4857 H2 TIP3 596 49.415 41.641 -6.424 1.00 0.00 WT1 H ATOM 4858 OH2 TIP3 597 66.979 82.031 -12.400 1.00 0.00 WT1 O ATOM 4859 H1 TIP3 597 67.119 81.342 -13.050 1.00 0.00 WT1 H ATOM 4860 H2 TIP3 597 66.952 81.568 -11.563 1.00 0.00 WT1 H ATOM 4861 OH2 TIP3 598 34.109 15.130 -13.149 1.00 0.00 WT1 O ATOM 4862 H1 TIP3 598 34.717 14.450 -13.437 1.00 0.00 WT1 H ATOM 4863 H2 TIP3 598 33.243 14.786 -13.367 1.00 0.00 WT1 H ATOM 4864 OH2 TIP3 599 82.806 50.593 40.044 1.00 0.00 WT1 O ATOM 4865 H1 TIP3 599 82.343 50.338 39.246 1.00 0.00 WT1 H ATOM 4866 H2 TIP3 599 83.348 51.336 39.780 1.00 0.00 WT1 H ATOM 4867 OH2 TIP3 600 48.159 28.151 53.084 1.00 0.00 WT1 O ATOM 4868 H1 TIP3 600 47.714 28.949 52.798 1.00 0.00 WT1 H ATOM 4869 H2 TIP3 600 47.467 27.618 53.476 1.00 0.00 WT1 H ATOM 4870 OH2 TIP3 602 24.969 91.263 48.606 1.00 0.00 WT1 O ATOM 4871 H1 TIP3 602 25.047 91.272 47.652 1.00 0.00 WT1 H ATOM 4872 H2 TIP3 602 24.034 91.138 48.768 1.00 0.00 WT1 H ATOM 4873 OH2 TIP3 603 37.086 18.234 34.420 1.00 0.00 WT1 O ATOM 4874 H1 TIP3 603 36.741 19.061 34.756 1.00 0.00 WT1 H ATOM 4875 H2 TIP3 603 36.480 17.986 33.722 1.00 0.00 WT1 H ATOM 4876 OH2 TIP3 604 22.289 68.444 32.033 1.00 0.00 WT1 O ATOM 4877 H1 TIP3 604 21.870 67.588 32.127 1.00 0.00 WT1 H ATOM 4878 H2 TIP3 604 22.737 68.401 31.188 1.00 0.00 WT1 H ATOM 4879 OH2 TIP3 605 50.214 13.428 10.096 1.00 0.00 WT1 O ATOM 4880 H1 TIP3 605 49.786 13.187 10.918 1.00 0.00 WT1 H ATOM 4881 H2 TIP3 605 50.086 12.669 9.527 1.00 0.00 WT1 H ATOM 4882 OH2 TIP3 606 44.587 1.741 59.727 1.00 0.00 WT1 O ATOM 4883 H1 TIP3 606 43.736 1.320 59.854 1.00 0.00 WT1 H ATOM 4884 H2 TIP3 606 45.020 1.210 59.059 1.00 0.00 WT1 H ATOM 4885 OH2 TIP3 607 72.902 78.143 59.675 1.00 0.00 WT1 O ATOM 4886 H1 TIP3 607 72.914 77.475 58.989 1.00 0.00 WT1 H ATOM 4887 H2 TIP3 607 72.963 77.648 60.492 1.00 0.00 WT1 H ATOM 4888 OH2 TIP3 608 29.449 69.274 -5.425 1.00 0.00 WT1 O ATOM 4889 H1 TIP3 608 29.083 68.863 -4.641 1.00 0.00 WT1 H ATOM 4890 H2 TIP3 608 30.395 69.168 -5.331 1.00 0.00 WT1 H ATOM 4891 OH2 TIP3 609 47.820 11.676 43.883 1.00 0.00 WT1 O ATOM 4892 H1 TIP3 609 47.885 11.970 42.975 1.00 0.00 WT1 H ATOM 4893 H2 TIP3 609 48.203 10.798 43.879 1.00 0.00 WT1 H ATOM 4894 OH2 TIP3 610 21.557 27.014 32.533 1.00 0.00 WT1 O ATOM 4895 H1 TIP3 610 21.085 26.628 31.795 1.00 0.00 WT1 H ATOM 4896 H2 TIP3 610 22.098 27.699 32.139 1.00 0.00 WT1 H ATOM 4897 OH2 TIP3 611 36.483 15.747 14.659 1.00 0.00 WT1 O ATOM 4898 H1 TIP3 611 35.784 15.760 14.006 1.00 0.00 WT1 H ATOM 4899 H2 TIP3 611 37.277 15.952 14.165 1.00 0.00 WT1 H ATOM 4900 OH2 TIP3 612 87.741 89.701 34.378 1.00 0.00 WT1 O ATOM 4901 H1 TIP3 612 88.037 89.052 33.740 1.00 0.00 WT1 H ATOM 4902 H2 TIP3 612 87.081 89.242 34.898 1.00 0.00 WT1 H ATOM 4903 OH2 TIP3 613 67.743 24.916 19.057 1.00 0.00 WT1 O ATOM 4904 H1 TIP3 613 67.199 25.679 18.864 1.00 0.00 WT1 H ATOM 4905 H2 TIP3 613 67.189 24.359 19.604 1.00 0.00 WT1 H ATOM 4906 OH2 TIP3 614 67.976 36.378 51.036 1.00 0.00 WT1 O ATOM 4907 H1 TIP3 614 67.851 37.084 51.670 1.00 0.00 WT1 H ATOM 4908 H2 TIP3 614 67.295 36.522 50.379 1.00 0.00 WT1 H ATOM 4909 OH2 TIP3 615 78.418 26.630 41.948 1.00 0.00 WT1 O ATOM 4910 H1 TIP3 615 78.093 27.502 41.727 1.00 0.00 WT1 H ATOM 4911 H2 TIP3 615 78.450 26.166 41.111 1.00 0.00 WT1 H ATOM 4912 OH2 TIP3 616 53.559 81.120 25.041 1.00 0.00 WT1 O ATOM 4913 H1 TIP3 616 53.230 80.231 25.171 1.00 0.00 WT1 H ATOM 4914 H2 TIP3 616 52.821 81.685 25.273 1.00 0.00 WT1 H ATOM 4915 OH2 TIP3 617 85.437 20.980 -8.582 1.00 0.00 WT1 O ATOM 4916 H1 TIP3 617 86.241 20.892 -9.093 1.00 0.00 WT1 H ATOM 4917 H2 TIP3 617 85.048 20.105 -8.593 1.00 0.00 WT1 H ATOM 4918 OH2 TIP3 618 22.251 55.733 2.562 1.00 0.00 WT1 O ATOM 4919 H1 TIP3 618 22.901 55.488 3.220 1.00 0.00 WT1 H ATOM 4920 H2 TIP3 618 21.970 54.902 2.180 1.00 0.00 WT1 H ATOM 4921 OH2 TIP3 619 24.236 27.399 9.721 1.00 0.00 WT1 O ATOM 4922 H1 TIP3 619 23.292 27.288 9.612 1.00 0.00 WT1 H ATOM 4923 H2 TIP3 619 24.366 27.440 10.668 1.00 0.00 WT1 H ATOM 4924 OH2 TIP3 620 78.348 65.451 -2.774 1.00 0.00 WT1 O ATOM 4925 H1 TIP3 620 79.097 64.993 -3.155 1.00 0.00 WT1 H ATOM 4926 H2 TIP3 620 77.596 64.895 -2.978 1.00 0.00 WT1 H ATOM 4927 OH2 TIP3 621 60.411 1.029 12.524 1.00 0.00 WT1 O ATOM 4928 H1 TIP3 621 60.646 0.782 11.629 1.00 0.00 WT1 H ATOM 4929 H2 TIP3 621 60.426 0.206 13.012 1.00 0.00 WT1 H ATOM 4930 OH2 TIP3 622 58.392 78.260 30.041 1.00 0.00 WT1 O ATOM 4931 H1 TIP3 622 58.342 78.119 30.987 1.00 0.00 WT1 H ATOM 4932 H2 TIP3 622 58.180 79.187 29.925 1.00 0.00 WT1 H ATOM 4933 OH2 TIP3 623 40.455 72.209 11.834 1.00 0.00 WT1 O ATOM 4934 H1 TIP3 623 41.146 72.477 12.440 1.00 0.00 WT1 H ATOM 4935 H2 TIP3 623 40.439 71.254 11.897 1.00 0.00 WT1 H ATOM 4936 OH2 TIP3 624 49.674 42.841 7.159 1.00 0.00 WT1 O ATOM 4937 H1 TIP3 624 49.344 42.614 8.028 1.00 0.00 WT1 H ATOM 4938 H2 TIP3 624 50.573 43.132 7.312 1.00 0.00 WT1 H ATOM 4939 OH2 TIP3 625 22.127 19.887 66.566 1.00 0.00 WT1 O ATOM 4940 H1 TIP3 625 22.914 20.431 66.606 1.00 0.00 WT1 H ATOM 4941 H2 TIP3 625 21.403 20.513 66.574 1.00 0.00 WT1 H ATOM 4942 OH2 TIP3 626 27.668 2.354 26.332 1.00 0.00 WT1 O ATOM 4943 H1 TIP3 626 27.673 2.321 25.376 1.00 0.00 WT1 H ATOM 4944 H2 TIP3 626 27.574 1.441 26.604 1.00 0.00 WT1 H ATOM 4945 OH2 TIP3 627 53.485 26.181 47.695 1.00 0.00 WT1 O ATOM 4946 H1 TIP3 627 52.774 26.803 47.543 1.00 0.00 WT1 H ATOM 4947 H2 TIP3 627 53.043 25.358 47.904 1.00 0.00 WT1 H ATOM 4948 OH2 TIP3 628 58.911 28.695 35.163 1.00 0.00 WT1 O ATOM 4949 H1 TIP3 628 57.980 28.515 35.295 1.00 0.00 WT1 H ATOM 4950 H2 TIP3 628 59.015 28.737 34.212 1.00 0.00 WT1 H ATOM 4951 OH2 TIP3 629 72.083 91.503 51.716 1.00 0.00 WT1 O ATOM 4952 H1 TIP3 629 71.516 90.733 51.665 1.00 0.00 WT1 H ATOM 4953 H2 TIP3 629 72.911 91.218 51.329 1.00 0.00 WT1 H ATOM 4954 OH2 TIP3 630 22.201 43.698 -5.111 1.00 0.00 WT1 O ATOM 4955 H1 TIP3 630 21.685 43.647 -4.306 1.00 0.00 WT1 H ATOM 4956 H2 TIP3 630 22.239 44.633 -5.313 1.00 0.00 WT1 H ATOM 4957 OH2 TIP3 631 44.475 26.914 -5.276 1.00 0.00 WT1 O ATOM 4958 H1 TIP3 631 45.075 26.188 -5.442 1.00 0.00 WT1 H ATOM 4959 H2 TIP3 631 44.278 26.854 -4.341 1.00 0.00 WT1 H ATOM 4960 OH2 TIP3 632 53.544 80.217 65.843 1.00 0.00 WT1 O ATOM 4961 H1 TIP3 632 53.888 79.370 66.127 1.00 0.00 WT1 H ATOM 4962 H2 TIP3 632 54.098 80.861 66.284 1.00 0.00 WT1 H ATOM 4963 OH2 TIP3 633 68.185 66.758 40.588 1.00 0.00 WT1 O ATOM 4964 H1 TIP3 633 67.574 67.334 41.048 1.00 0.00 WT1 H ATOM 4965 H2 TIP3 633 67.797 66.640 39.721 1.00 0.00 WT1 H ATOM 4966 OH2 TIP3 634 37.564 95.115 13.090 1.00 0.00 WT1 O ATOM 4967 H1 TIP3 634 37.747 95.422 12.201 1.00 0.00 WT1 H ATOM 4968 H2 TIP3 634 38.424 94.897 13.450 1.00 0.00 WT1 H ATOM 4969 OH2 TIP3 635 89.252 39.809 34.140 1.00 0.00 WT1 O ATOM 4970 H1 TIP3 635 89.736 40.539 33.753 1.00 0.00 WT1 H ATOM 4971 H2 TIP3 635 88.435 39.773 33.643 1.00 0.00 WT1 H ATOM 4972 OH2 TIP3 636 32.469 47.560 45.431 1.00 0.00 WT1 O ATOM 4973 H1 TIP3 636 31.807 47.725 44.761 1.00 0.00 WT1 H ATOM 4974 H2 TIP3 636 32.231 48.143 46.152 1.00 0.00 WT1 H ATOM 4975 OH2 TIP3 637 60.857 30.931 47.668 1.00 0.00 WT1 O ATOM 4976 H1 TIP3 637 60.395 31.112 46.850 1.00 0.00 WT1 H ATOM 4977 H2 TIP3 637 60.172 30.936 48.337 1.00 0.00 WT1 H ATOM 4978 OH2 TIP3 638 57.339 36.606 56.023 1.00 0.00 WT1 O ATOM 4979 H1 TIP3 638 56.396 36.707 55.894 1.00 0.00 WT1 H ATOM 4980 H2 TIP3 638 57.684 37.498 55.981 1.00 0.00 WT1 H ATOM 4981 OH2 TIP3 639 85.188 28.586 7.893 1.00 0.00 WT1 O ATOM 4982 H1 TIP3 639 85.341 29.406 8.363 1.00 0.00 WT1 H ATOM 4983 H2 TIP3 639 84.844 28.859 7.042 1.00 0.00 WT1 H ATOM 4984 OH2 TIP3 640 50.311 29.891 52.490 1.00 0.00 WT1 O ATOM 4985 H1 TIP3 640 51.018 29.620 51.905 1.00 0.00 WT1 H ATOM 4986 H2 TIP3 640 49.559 29.367 52.216 1.00 0.00 WT1 H ATOM 4987 OH2 TIP3 641 62.793 49.540 65.591 1.00 0.00 WT1 O ATOM 4988 H1 TIP3 641 62.578 48.960 64.860 1.00 0.00 WT1 H ATOM 4989 H2 TIP3 641 61.985 50.025 65.758 1.00 0.00 WT1 H ATOM 4990 OH2 TIP3 642 45.410 17.215 -9.565 1.00 0.00 WT1 O ATOM 4991 H1 TIP3 642 44.456 17.142 -9.526 1.00 0.00 WT1 H ATOM 4992 H2 TIP3 642 45.625 17.059 -10.485 1.00 0.00 WT1 H ATOM 4993 OH2 TIP3 643 21.494 38.490 -13.530 1.00 0.00 WT1 O ATOM 4994 H1 TIP3 643 20.828 39.107 -13.227 1.00 0.00 WT1 H ATOM 4995 H2 TIP3 643 21.103 37.627 -13.391 1.00 0.00 WT1 H ATOM 4996 OH2 TIP3 644 80.869 1.748 35.132 1.00 0.00 WT1 O ATOM 4997 H1 TIP3 644 80.812 2.441 35.790 1.00 0.00 WT1 H ATOM 4998 H2 TIP3 644 79.961 1.486 34.981 1.00 0.00 WT1 H ATOM 4999 OH2 TIP3 645 76.046 29.311 9.375 1.00 0.00 WT1 O ATOM 5000 H1 TIP3 645 75.604 29.149 10.209 1.00 0.00 WT1 H ATOM 5001 H2 TIP3 645 76.125 28.446 8.974 1.00 0.00 WT1 H ATOM 5002 OH2 TIP3 646 81.274 58.416 14.754 1.00 0.00 WT1 O ATOM 5003 H1 TIP3 646 82.061 58.807 14.373 1.00 0.00 WT1 H ATOM 5004 H2 TIP3 646 81.598 57.891 15.487 1.00 0.00 WT1 H ATOM 5005 OH2 TIP3 647 66.561 32.506 -1.468 1.00 0.00 WT1 O ATOM 5006 H1 TIP3 647 66.735 31.597 -1.224 1.00 0.00 WT1 H ATOM 5007 H2 TIP3 647 66.577 32.984 -0.639 1.00 0.00 WT1 H ATOM 5008 OH2 TIP3 648 48.557 49.066 -9.020 1.00 0.00 WT1 O ATOM 5009 H1 TIP3 648 48.330 48.139 -9.098 1.00 0.00 WT1 H ATOM 5010 H2 TIP3 648 49.389 49.071 -8.547 1.00 0.00 WT1 H ATOM 5011 OH2 TIP3 649 75.307 56.611 24.847 1.00 0.00 WT1 O ATOM 5012 H1 TIP3 649 75.031 57.524 24.764 1.00 0.00 WT1 H ATOM 5013 H2 TIP3 649 74.504 56.105 24.728 1.00 0.00 WT1 H ATOM 5014 OH2 TIP3 650 43.160 40.129 21.594 1.00 0.00 WT1 O ATOM 5015 H1 TIP3 650 43.087 39.309 22.082 1.00 0.00 WT1 H ATOM 5016 H2 TIP3 650 44.089 40.192 21.368 1.00 0.00 WT1 H ATOM 5017 OH2 TIP3 651 29.840 8.116 34.367 1.00 0.00 WT1 O ATOM 5018 H1 TIP3 651 28.984 8.519 34.516 1.00 0.00 WT1 H ATOM 5019 H2 TIP3 651 29.873 7.965 33.423 1.00 0.00 WT1 H ATOM 5020 OH2 TIP3 652 56.974 89.293 13.886 1.00 0.00 WT1 O ATOM 5021 H1 TIP3 652 56.572 89.567 14.710 1.00 0.00 WT1 H ATOM 5022 H2 TIP3 652 57.082 90.104 13.390 1.00 0.00 WT1 H ATOM 5023 OH2 TIP3 653 28.669 13.620 8.259 1.00 0.00 WT1 O ATOM 5024 H1 TIP3 653 29.362 14.139 8.668 1.00 0.00 WT1 H ATOM 5025 H2 TIP3 653 29.070 13.269 7.464 1.00 0.00 WT1 H ATOM 5026 OH2 TIP3 654 34.537 86.215 30.525 1.00 0.00 WT1 O ATOM 5027 H1 TIP3 654 34.552 86.825 29.787 1.00 0.00 WT1 H ATOM 5028 H2 TIP3 654 34.348 86.765 31.286 1.00 0.00 WT1 H ATOM 5029 OH2 TIP3 655 29.976 34.017 23.857 1.00 0.00 WT1 O ATOM 5030 H1 TIP3 655 30.091 33.433 24.607 1.00 0.00 WT1 H ATOM 5031 H2 TIP3 655 29.380 33.546 23.275 1.00 0.00 WT1 H ATOM 5032 OH2 TIP3 656 80.814 16.941 62.716 1.00 0.00 WT1 O ATOM 5033 H1 TIP3 656 80.996 16.267 62.062 1.00 0.00 WT1 H ATOM 5034 H2 TIP3 656 81.640 17.048 63.187 1.00 0.00 WT1 H ATOM 5035 OH2 TIP3 657 34.739 23.332 -16.719 1.00 0.00 WT1 O ATOM 5036 H1 TIP3 657 34.475 23.633 -17.588 1.00 0.00 WT1 H ATOM 5037 H2 TIP3 657 35.031 22.431 -16.855 1.00 0.00 WT1 H ATOM 5038 OH2 TIP3 658 32.182 48.970 -3.051 1.00 0.00 WT1 O ATOM 5039 H1 TIP3 658 33.101 49.237 -3.079 1.00 0.00 WT1 H ATOM 5040 H2 TIP3 658 32.115 48.421 -2.269 1.00 0.00 WT1 H ATOM 5041 OH2 TIP3 659 23.823 53.010 56.319 1.00 0.00 WT1 O ATOM 5042 H1 TIP3 659 23.687 52.163 55.895 1.00 0.00 WT1 H ATOM 5043 H2 TIP3 659 22.998 53.478 56.189 1.00 0.00 WT1 H ATOM 5044 OH2 TIP3 660 82.824 70.065 28.791 1.00 0.00 WT1 O ATOM 5045 H1 TIP3 660 83.392 69.309 28.643 1.00 0.00 WT1 H ATOM 5046 H2 TIP3 660 82.144 69.989 28.121 1.00 0.00 WT1 H ATOM 5047 OH2 TIP3 661 28.105 73.675 13.315 1.00 0.00 WT1 O ATOM 5048 H1 TIP3 661 28.558 73.042 12.759 1.00 0.00 WT1 H ATOM 5049 H2 TIP3 661 27.532 73.143 13.868 1.00 0.00 WT1 H ATOM 5050 OH2 TIP3 662 40.255 51.913 11.666 1.00 0.00 WT1 O ATOM 5051 H1 TIP3 662 40.664 51.498 10.906 1.00 0.00 WT1 H ATOM 5052 H2 TIP3 662 40.928 52.500 12.010 1.00 0.00 WT1 H ATOM 5053 OH2 TIP3 663 63.779 20.494 63.674 1.00 0.00 WT1 O ATOM 5054 H1 TIP3 663 64.561 20.913 63.316 1.00 0.00 WT1 H ATOM 5055 H2 TIP3 663 64.048 20.181 64.538 1.00 0.00 WT1 H ATOM 5056 OH2 TIP3 664 54.296 23.168 33.438 1.00 0.00 WT1 O ATOM 5057 H1 TIP3 664 53.653 23.710 32.981 1.00 0.00 WT1 H ATOM 5058 H2 TIP3 664 54.160 22.287 33.087 1.00 0.00 WT1 H ATOM 5059 OH2 TIP3 665 45.775 4.241 -2.389 1.00 0.00 WT1 O ATOM 5060 H1 TIP3 665 45.791 5.171 -2.166 1.00 0.00 WT1 H ATOM 5061 H2 TIP3 665 45.221 3.842 -1.718 1.00 0.00 WT1 H ATOM 5062 OH2 TIP3 666 74.107 50.997 57.022 1.00 0.00 WT1 O ATOM 5063 H1 TIP3 666 73.678 51.671 57.549 1.00 0.00 WT1 H ATOM 5064 H2 TIP3 666 74.318 51.435 56.198 1.00 0.00 WT1 H ATOM 5065 OH2 TIP3 667 50.458 48.429 61.333 1.00 0.00 WT1 O ATOM 5066 H1 TIP3 667 49.646 48.506 61.835 1.00 0.00 WT1 H ATOM 5067 H2 TIP3 667 50.174 48.408 60.419 1.00 0.00 WT1 H ATOM 5068 OH2 TIP3 668 65.233 23.486 55.500 1.00 0.00 WT1 O ATOM 5069 H1 TIP3 668 64.975 23.804 56.365 1.00 0.00 WT1 H ATOM 5070 H2 TIP3 668 64.671 23.965 54.891 1.00 0.00 WT1 H ATOM 5071 OH2 TIP3 669 22.970 79.325 38.825 1.00 0.00 WT1 O ATOM 5072 H1 TIP3 669 22.373 78.906 38.205 1.00 0.00 WT1 H ATOM 5073 H2 TIP3 669 23.291 78.608 39.371 1.00 0.00 WT1 H ATOM 5074 OH2 TIP3 670 78.121 55.724 29.369 1.00 0.00 WT1 O ATOM 5075 H1 TIP3 670 77.966 56.014 28.470 1.00 0.00 WT1 H ATOM 5076 H2 TIP3 670 77.299 55.904 29.825 1.00 0.00 WT1 H ATOM 5077 OH2 TIP3 671 72.729 72.024 27.839 1.00 0.00 WT1 O ATOM 5078 H1 TIP3 671 72.262 72.603 27.237 1.00 0.00 WT1 H ATOM 5079 H2 TIP3 671 72.108 71.319 28.023 1.00 0.00 WT1 H ATOM 5080 OH2 TIP3 672 73.289 28.808 8.064 1.00 0.00 WT1 O ATOM 5081 H1 TIP3 672 74.217 28.980 7.906 1.00 0.00 WT1 H ATOM 5082 H2 TIP3 672 72.883 29.675 8.078 1.00 0.00 WT1 H ATOM 5083 OH2 TIP3 673 89.149 80.045 63.615 1.00 0.00 WT1 O ATOM 5084 H1 TIP3 673 88.350 80.199 64.121 1.00 0.00 WT1 H ATOM 5085 H2 TIP3 673 89.860 80.258 64.220 1.00 0.00 WT1 H ATOM 5086 OH2 TIP3 674 72.962 91.141 40.895 1.00 0.00 WT1 O ATOM 5087 H1 TIP3 674 73.723 91.281 40.331 1.00 0.00 WT1 H ATOM 5088 H2 TIP3 674 72.241 90.973 40.289 1.00 0.00 WT1 H ATOM 5089 OH2 TIP3 675 85.596 29.529 44.084 1.00 0.00 WT1 O ATOM 5090 H1 TIP3 675 85.060 29.954 43.414 1.00 0.00 WT1 H ATOM 5091 H2 TIP3 675 86.078 30.246 44.496 1.00 0.00 WT1 H ATOM 5092 OH2 TIP3 676 39.911 7.328 -8.163 1.00 0.00 WT1 O ATOM 5093 H1 TIP3 676 39.558 6.533 -7.764 1.00 0.00 WT1 H ATOM 5094 H2 TIP3 676 40.860 7.247 -8.061 1.00 0.00 WT1 H ATOM 5095 OH2 TIP3 677 82.054 47.873 3.599 1.00 0.00 WT1 O ATOM 5096 H1 TIP3 677 81.809 48.203 2.734 1.00 0.00 WT1 H ATOM 5097 H2 TIP3 677 81.337 48.145 4.172 1.00 0.00 WT1 H ATOM 5098 OH2 TIP3 679 80.015 40.625 19.716 1.00 0.00 WT1 O ATOM 5099 H1 TIP3 679 80.765 41.216 19.789 1.00 0.00 WT1 H ATOM 5100 H2 TIP3 679 79.315 41.064 20.198 1.00 0.00 WT1 H ATOM 5101 OH2 TIP3 680 70.293 21.648 15.734 1.00 0.00 WT1 O ATOM 5102 H1 TIP3 680 70.201 20.753 16.060 1.00 0.00 WT1 H ATOM 5103 H2 TIP3 680 69.397 21.929 15.548 1.00 0.00 WT1 H ATOM 5104 OH2 TIP3 681 54.299 70.584 40.415 1.00 0.00 WT1 O ATOM 5105 H1 TIP3 681 54.042 69.694 40.177 1.00 0.00 WT1 H ATOM 5106 H2 TIP3 681 53.480 71.012 40.666 1.00 0.00 WT1 H ATOM 5107 OH2 TIP3 682 44.905 89.334 6.263 1.00 0.00 WT1 O ATOM 5108 H1 TIP3 682 44.478 90.078 6.687 1.00 0.00 WT1 H ATOM 5109 H2 TIP3 682 45.437 88.938 6.953 1.00 0.00 WT1 H ATOM 5110 OH2 TIP3 683 22.509 48.876 -0.255 1.00 0.00 WT1 O ATOM 5111 H1 TIP3 683 21.651 48.556 0.023 1.00 0.00 WT1 H ATOM 5112 H2 TIP3 683 22.360 49.231 -1.131 1.00 0.00 WT1 H ATOM 5113 OH2 TIP3 684 86.752 9.790 1.198 1.00 0.00 WT1 O ATOM 5114 H1 TIP3 684 87.550 10.147 0.808 1.00 0.00 WT1 H ATOM 5115 H2 TIP3 684 86.334 10.542 1.617 1.00 0.00 WT1 H ATOM 5116 OH2 TIP3 685 84.842 76.354 53.022 1.00 0.00 WT1 O ATOM 5117 H1 TIP3 685 85.212 77.202 53.268 1.00 0.00 WT1 H ATOM 5118 H2 TIP3 685 84.026 76.296 53.518 1.00 0.00 WT1 H ATOM 5119 OH2 TIP3 686 40.824 17.765 14.818 1.00 0.00 WT1 O ATOM 5120 H1 TIP3 686 41.036 18.197 15.646 1.00 0.00 WT1 H ATOM 5121 H2 TIP3 686 41.624 17.837 14.298 1.00 0.00 WT1 H ATOM 5122 OH2 TIP3 687 27.617 38.826 1.464 1.00 0.00 WT1 O ATOM 5123 H1 TIP3 687 28.275 39.283 1.987 1.00 0.00 WT1 H ATOM 5124 H2 TIP3 687 27.285 39.491 0.861 1.00 0.00 WT1 H ATOM 5125 OH2 TIP3 689 28.356 43.575 19.988 1.00 0.00 WT1 O ATOM 5126 H1 TIP3 689 29.185 44.034 20.122 1.00 0.00 WT1 H ATOM 5127 H2 TIP3 689 27.835 44.172 19.450 1.00 0.00 WT1 H ATOM 5128 OH2 TIP3 690 63.481 19.213 -9.915 1.00 0.00 WT1 O ATOM 5129 H1 TIP3 690 63.247 20.141 -9.929 1.00 0.00 WT1 H ATOM 5130 H2 TIP3 690 64.426 19.202 -10.071 1.00 0.00 WT1 H ATOM 5131 OH2 TIP3 692 77.569 41.907 58.554 1.00 0.00 WT1 O ATOM 5132 H1 TIP3 692 77.543 42.807 58.881 1.00 0.00 WT1 H ATOM 5133 H2 TIP3 692 77.313 41.979 57.635 1.00 0.00 WT1 H ATOM 5134 OH2 TIP3 693 66.610 93.686 -1.818 1.00 0.00 WT1 O ATOM 5135 H1 TIP3 693 66.245 92.812 -1.949 1.00 0.00 WT1 H ATOM 5136 H2 TIP3 693 65.854 94.233 -1.602 1.00 0.00 WT1 H ATOM 5137 OH2 TIP3 694 58.452 60.932 43.481 1.00 0.00 WT1 O ATOM 5138 H1 TIP3 694 57.539 60.776 43.240 1.00 0.00 WT1 H ATOM 5139 H2 TIP3 694 58.554 60.500 44.329 1.00 0.00 WT1 H ATOM 5140 OH2 TIP3 695 52.404 9.582 53.511 1.00 0.00 WT1 O ATOM 5141 H1 TIP3 695 51.647 9.102 53.175 1.00 0.00 WT1 H ATOM 5142 H2 TIP3 695 52.791 9.991 52.737 1.00 0.00 WT1 H ATOM 5143 OH2 TIP3 696 57.121 54.870 -17.360 1.00 0.00 WT1 O ATOM 5144 H1 TIP3 696 56.693 55.604 -16.919 1.00 0.00 WT1 H ATOM 5145 H2 TIP3 696 56.403 54.371 -17.749 1.00 0.00 WT1 H ATOM 5146 OH2 TIP3 697 25.449 92.746 13.395 1.00 0.00 WT1 O ATOM 5147 H1 TIP3 697 24.538 92.564 13.167 1.00 0.00 WT1 H ATOM 5148 H2 TIP3 697 25.396 93.376 14.114 1.00 0.00 WT1 H ATOM 5149 OH2 TIP3 698 73.350 34.068 63.541 1.00 0.00 WT1 O ATOM 5150 H1 TIP3 698 72.762 33.435 63.953 1.00 0.00 WT1 H ATOM 5151 H2 TIP3 698 72.773 34.766 63.232 1.00 0.00 WT1 H ATOM 5152 OH2 TIP3 699 23.361 72.156 3.623 1.00 0.00 WT1 O ATOM 5153 H1 TIP3 699 23.338 71.236 3.889 1.00 0.00 WT1 H ATOM 5154 H2 TIP3 699 24.268 72.425 3.768 1.00 0.00 WT1 H ATOM 5155 OH2 TIP3 700 75.255 39.093 -12.852 1.00 0.00 WT1 O ATOM 5156 H1 TIP3 700 75.505 39.233 -11.939 1.00 0.00 WT1 H ATOM 5157 H2 TIP3 700 75.663 38.260 -13.088 1.00 0.00 WT1 H ATOM 5158 OH2 TIP3 701 65.925 56.464 34.240 1.00 0.00 WT1 O ATOM 5159 H1 TIP3 701 65.734 57.197 34.825 1.00 0.00 WT1 H ATOM 5160 H2 TIP3 701 65.124 56.348 33.730 1.00 0.00 WT1 H ATOM 5161 OH2 TIP3 702 41.371 43.842 20.387 1.00 0.00 WT1 O ATOM 5162 H1 TIP3 702 42.156 43.297 20.453 1.00 0.00 WT1 H ATOM 5163 H2 TIP3 702 41.016 43.860 21.276 1.00 0.00 WT1 H ATOM 5164 OH2 TIP3 703 55.008 22.208 10.294 1.00 0.00 WT1 O ATOM 5165 H1 TIP3 703 55.810 22.333 10.802 1.00 0.00 WT1 H ATOM 5166 H2 TIP3 703 54.330 22.654 10.802 1.00 0.00 WT1 H ATOM 5167 OH2 TIP3 704 49.901 17.356 20.106 1.00 0.00 WT1 O ATOM 5168 H1 TIP3 704 49.095 17.270 19.598 1.00 0.00 WT1 H ATOM 5169 H2 TIP3 704 49.800 18.182 20.579 1.00 0.00 WT1 H ATOM 5170 OH2 TIP3 705 43.892 40.198 32.704 1.00 0.00 WT1 O ATOM 5171 H1 TIP3 705 43.652 40.935 32.142 1.00 0.00 WT1 H ATOM 5172 H2 TIP3 705 44.070 39.481 32.097 1.00 0.00 WT1 H ATOM 5173 OH2 TIP3 706 45.277 21.670 -18.546 1.00 0.00 WT1 O ATOM 5174 H1 TIP3 706 44.514 21.764 -19.117 1.00 0.00 WT1 H ATOM 5175 H2 TIP3 706 45.090 20.890 -18.023 1.00 0.00 WT1 H ATOM 5176 OH2 TIP3 707 83.050 77.394 -5.424 1.00 0.00 WT1 O ATOM 5177 H1 TIP3 707 83.443 76.980 -4.656 1.00 0.00 WT1 H ATOM 5178 H2 TIP3 707 82.327 77.914 -5.073 1.00 0.00 WT1 H ATOM 5179 OH2 TIP3 708 66.085 62.552 -1.512 1.00 0.00 WT1 O ATOM 5180 H1 TIP3 708 65.712 63.196 -0.909 1.00 0.00 WT1 H ATOM 5181 H2 TIP3 708 65.950 61.710 -1.076 1.00 0.00 WT1 H ATOM 5182 OH2 TIP3 709 47.617 94.637 1.181 1.00 0.00 WT1 O ATOM 5183 H1 TIP3 709 46.807 94.893 0.741 1.00 0.00 WT1 H ATOM 5184 H2 TIP3 709 47.689 95.239 1.922 1.00 0.00 WT1 H ATOM 5185 OH2 TIP3 710 65.537 21.719 -6.433 1.00 0.00 WT1 O ATOM 5186 H1 TIP3 710 65.989 22.349 -5.873 1.00 0.00 WT1 H ATOM 5187 H2 TIP3 710 66.167 21.008 -6.552 1.00 0.00 WT1 H ATOM 5188 OH2 TIP3 711 84.798 28.273 1.880 1.00 0.00 WT1 O ATOM 5189 H1 TIP3 711 83.978 28.735 2.054 1.00 0.00 WT1 H ATOM 5190 H2 TIP3 711 85.392 28.950 1.556 1.00 0.00 WT1 H ATOM 5191 OH2 TIP3 712 71.170 39.889 54.032 1.00 0.00 WT1 O ATOM 5192 H1 TIP3 712 70.349 40.105 53.590 1.00 0.00 WT1 H ATOM 5193 H2 TIP3 712 71.119 40.347 54.870 1.00 0.00 WT1 H ATOM 5194 OH2 TIP3 713 63.983 16.886 20.187 1.00 0.00 WT1 O ATOM 5195 H1 TIP3 713 64.706 16.862 19.560 1.00 0.00 WT1 H ATOM 5196 H2 TIP3 713 63.584 17.746 20.058 1.00 0.00 WT1 H ATOM 5197 OH2 TIP3 714 55.612 51.377 45.037 1.00 0.00 WT1 O ATOM 5198 H1 TIP3 714 55.066 51.711 45.748 1.00 0.00 WT1 H ATOM 5199 H2 TIP3 714 56.480 51.741 45.209 1.00 0.00 WT1 H ATOM 5200 OH2 TIP3 715 66.632 45.475 37.078 1.00 0.00 WT1 O ATOM 5201 H1 TIP3 715 66.899 46.264 37.550 1.00 0.00 WT1 H ATOM 5202 H2 TIP3 715 66.463 45.775 36.185 1.00 0.00 WT1 H ATOM 5203 OH2 TIP3 716 76.197 6.268 58.818 1.00 0.00 WT1 O ATOM 5204 H1 TIP3 716 76.067 6.290 57.870 1.00 0.00 WT1 H ATOM 5205 H2 TIP3 716 75.718 5.492 59.108 1.00 0.00 WT1 H ATOM 5206 OH2 TIP3 717 49.416 43.880 40.159 1.00 0.00 WT1 O ATOM 5207 H1 TIP3 717 48.813 43.216 40.493 1.00 0.00 WT1 H ATOM 5208 H2 TIP3 717 49.456 43.717 39.217 1.00 0.00 WT1 H ATOM 5209 OH2 TIP3 718 55.216 28.517 32.345 1.00 0.00 WT1 O ATOM 5210 H1 TIP3 718 55.815 28.840 33.018 1.00 0.00 WT1 H ATOM 5211 H2 TIP3 718 55.102 27.589 32.550 1.00 0.00 WT1 H ATOM 5212 OH2 TIP3 719 73.432 87.327 51.769 1.00 0.00 WT1 O ATOM 5213 H1 TIP3 719 74.352 87.134 51.587 1.00 0.00 WT1 H ATOM 5214 H2 TIP3 719 73.322 87.120 52.697 1.00 0.00 WT1 H ATOM 5215 OH2 TIP3 720 31.124 92.608 20.775 1.00 0.00 WT1 O ATOM 5216 H1 TIP3 720 30.515 92.699 21.507 1.00 0.00 WT1 H ATOM 5217 H2 TIP3 720 30.563 92.487 20.009 1.00 0.00 WT1 H ATOM 5218 OH2 TIP3 721 62.003 13.804 14.553 1.00 0.00 WT1 O ATOM 5219 H1 TIP3 721 61.939 13.395 13.690 1.00 0.00 WT1 H ATOM 5220 H2 TIP3 721 61.136 13.683 14.941 1.00 0.00 WT1 H ATOM 5221 OH2 TIP3 722 64.863 34.329 -12.327 1.00 0.00 WT1 O ATOM 5222 H1 TIP3 722 65.430 34.529 -13.071 1.00 0.00 WT1 H ATOM 5223 H2 TIP3 722 64.736 35.170 -11.888 1.00 0.00 WT1 H ATOM 5224 OH2 TIP3 723 74.838 35.283 3.672 1.00 0.00 WT1 O ATOM 5225 H1 TIP3 723 75.397 34.522 3.513 1.00 0.00 WT1 H ATOM 5226 H2 TIP3 723 74.189 34.976 4.304 1.00 0.00 WT1 H ATOM 5227 OH2 TIP3 724 42.205 36.384 11.727 1.00 0.00 WT1 O ATOM 5228 H1 TIP3 724 42.084 37.052 12.402 1.00 0.00 WT1 H ATOM 5229 H2 TIP3 724 42.775 35.732 12.135 1.00 0.00 WT1 H ATOM 5230 OH2 TIP3 725 85.441 94.221 -0.611 1.00 0.00 WT1 O ATOM 5231 H1 TIP3 725 85.790 93.815 -1.405 1.00 0.00 WT1 H ATOM 5232 H2 TIP3 725 84.823 93.578 -0.264 1.00 0.00 WT1 H ATOM 5233 OH2 TIP3 726 35.616 65.657 20.574 1.00 0.00 WT1 O ATOM 5234 H1 TIP3 726 36.352 66.208 20.840 1.00 0.00 WT1 H ATOM 5235 H2 TIP3 726 35.921 65.218 19.780 1.00 0.00 WT1 H ATOM 5236 OH2 TIP3 728 38.885 81.287 56.506 1.00 0.00 WT1 O ATOM 5237 H1 TIP3 728 37.941 81.230 56.658 1.00 0.00 WT1 H ATOM 5238 H2 TIP3 728 39.124 82.163 56.807 1.00 0.00 WT1 H ATOM 5239 OH2 TIP3 729 48.064 23.265 37.199 1.00 0.00 WT1 O ATOM 5240 H1 TIP3 729 48.554 23.570 36.435 1.00 0.00 WT1 H ATOM 5241 H2 TIP3 729 47.159 23.203 36.894 1.00 0.00 WT1 H ATOM 5242 OH2 TIP3 730 54.448 85.051 58.952 1.00 0.00 WT1 O ATOM 5243 H1 TIP3 730 54.938 85.846 58.743 1.00 0.00 WT1 H ATOM 5244 H2 TIP3 730 53.583 85.363 59.216 1.00 0.00 WT1 H ATOM 5245 OH2 TIP3 731 83.101 28.682 66.413 1.00 0.00 WT1 O ATOM 5246 H1 TIP3 731 82.443 29.252 66.014 1.00 0.00 WT1 H ATOM 5247 H2 TIP3 731 83.127 27.912 65.845 1.00 0.00 WT1 H ATOM 5248 OH2 TIP3 732 27.207 44.868 -10.648 1.00 0.00 WT1 O ATOM 5249 H1 TIP3 732 26.499 44.444 -10.163 1.00 0.00 WT1 H ATOM 5250 H2 TIP3 732 26.862 45.734 -10.868 1.00 0.00 WT1 H ATOM 5251 OH2 TIP3 733 82.610 51.175 -14.438 1.00 0.00 WT1 O ATOM 5252 H1 TIP3 733 83.528 50.961 -14.605 1.00 0.00 WT1 H ATOM 5253 H2 TIP3 733 82.605 52.123 -14.304 1.00 0.00 WT1 H ATOM 5254 OH2 TIP3 734 35.610 47.059 -4.661 1.00 0.00 WT1 O ATOM 5255 H1 TIP3 734 34.962 46.435 -4.987 1.00 0.00 WT1 H ATOM 5256 H2 TIP3 734 35.442 47.860 -5.157 1.00 0.00 WT1 H ATOM 5257 OH2 TIP3 735 90.500 39.526 40.295 1.00 0.00 WT1 O ATOM 5258 H1 TIP3 735 89.553 39.564 40.159 1.00 0.00 WT1 H ATOM 5259 H2 TIP3 735 90.738 40.411 40.573 1.00 0.00 WT1 H ATOM 5260 OH2 TIP3 736 72.558 35.066 24.245 1.00 0.00 WT1 O ATOM 5261 H1 TIP3 736 72.198 34.310 23.781 1.00 0.00 WT1 H ATOM 5262 H2 TIP3 736 72.480 35.789 23.622 1.00 0.00 WT1 H ATOM 5263 OH2 TIP3 737 81.873 56.288 18.829 1.00 0.00 WT1 O ATOM 5264 H1 TIP3 737 82.797 56.418 19.041 1.00 0.00 WT1 H ATOM 5265 H2 TIP3 737 81.641 55.466 19.263 1.00 0.00 WT1 H ATOM 5266 OH2 TIP3 738 76.044 74.570 34.212 1.00 0.00 WT1 O ATOM 5267 H1 TIP3 738 75.919 74.021 33.437 1.00 0.00 WT1 H ATOM 5268 H2 TIP3 738 75.217 74.504 34.688 1.00 0.00 WT1 H ATOM 5269 OH2 TIP3 739 25.477 25.489 40.009 1.00 0.00 WT1 O ATOM 5270 H1 TIP3 739 24.885 26.133 40.398 1.00 0.00 WT1 H ATOM 5271 H2 TIP3 739 25.124 25.338 39.132 1.00 0.00 WT1 H ATOM 5272 OH2 TIP3 740 68.389 41.289 11.824 1.00 0.00 WT1 O ATOM 5273 H1 TIP3 740 68.638 40.382 12.003 1.00 0.00 WT1 H ATOM 5274 H2 TIP3 740 67.665 41.463 12.426 1.00 0.00 WT1 H ATOM 5275 OH2 TIP3 741 56.273 56.232 14.280 1.00 0.00 WT1 O ATOM 5276 H1 TIP3 741 56.175 55.700 15.069 1.00 0.00 WT1 H ATOM 5277 H2 TIP3 741 55.614 56.920 14.371 1.00 0.00 WT1 H ATOM 5278 OH2 TIP3 742 64.041 69.991 24.120 1.00 0.00 WT1 O ATOM 5279 H1 TIP3 742 63.636 69.125 24.168 1.00 0.00 WT1 H ATOM 5280 H2 TIP3 742 63.365 70.590 24.438 1.00 0.00 WT1 H ATOM 5281 OH2 TIP3 743 25.540 93.072 5.570 1.00 0.00 WT1 O ATOM 5282 H1 TIP3 743 25.200 92.177 5.569 1.00 0.00 WT1 H ATOM 5283 H2 TIP3 743 26.009 93.149 6.401 1.00 0.00 WT1 H ATOM 5284 OH2 TIP3 744 79.316 48.384 -6.313 1.00 0.00 WT1 O ATOM 5285 H1 TIP3 744 80.268 48.475 -6.281 1.00 0.00 WT1 H ATOM 5286 H2 TIP3 744 78.991 49.047 -5.703 1.00 0.00 WT1 H ATOM 5287 OH2 TIP3 745 71.527 29.752 63.989 1.00 0.00 WT1 O ATOM 5288 H1 TIP3 745 72.103 29.902 63.240 1.00 0.00 WT1 H ATOM 5289 H2 TIP3 745 71.436 30.613 64.398 1.00 0.00 WT1 H ATOM 5290 OH2 TIP3 746 73.325 7.868 -15.658 1.00 0.00 WT1 O ATOM 5291 H1 TIP3 746 73.659 8.753 -15.808 1.00 0.00 WT1 H ATOM 5292 H2 TIP3 746 74.109 7.337 -15.517 1.00 0.00 WT1 H ATOM 5293 OH2 TIP3 747 57.560 78.017 54.604 1.00 0.00 WT1 O ATOM 5294 H1 TIP3 747 56.941 77.838 55.311 1.00 0.00 WT1 H ATOM 5295 H2 TIP3 747 57.061 78.538 53.975 1.00 0.00 WT1 H ATOM 5296 OH2 TIP3 748 87.087 22.352 59.387 1.00 0.00 WT1 O ATOM 5297 H1 TIP3 748 86.741 23.158 59.003 1.00 0.00 WT1 H ATOM 5298 H2 TIP3 748 88.004 22.330 59.111 1.00 0.00 WT1 H ATOM 5299 OH2 TIP3 749 44.432 63.277 12.302 1.00 0.00 WT1 O ATOM 5300 H1 TIP3 749 45.306 63.123 12.661 1.00 0.00 WT1 H ATOM 5301 H2 TIP3 749 44.535 64.045 11.740 1.00 0.00 WT1 H ATOM 5302 OH2 TIP3 750 21.388 63.413 -6.784 1.00 0.00 WT1 O ATOM 5303 H1 TIP3 750 21.875 63.140 -7.561 1.00 0.00 WT1 H ATOM 5304 H2 TIP3 750 20.906 64.191 -7.064 1.00 0.00 WT1 H ATOM 5305 OH2 TIP3 751 51.024 54.066 1.815 1.00 0.00 WT1 O ATOM 5306 H1 TIP3 751 51.654 54.697 2.162 1.00 0.00 WT1 H ATOM 5307 H2 TIP3 751 50.927 53.415 2.510 1.00 0.00 WT1 H ATOM 5308 OH2 TIP3 752 50.100 64.947 17.984 1.00 0.00 WT1 O ATOM 5309 H1 TIP3 752 49.830 64.779 17.081 1.00 0.00 WT1 H ATOM 5310 H2 TIP3 752 49.619 65.736 18.235 1.00 0.00 WT1 H ATOM 5311 OH2 TIP3 753 86.366 51.711 28.779 1.00 0.00 WT1 O ATOM 5312 H1 TIP3 753 86.724 52.068 29.591 1.00 0.00 WT1 H ATOM 5313 H2 TIP3 753 86.007 52.470 28.320 1.00 0.00 WT1 H ATOM 5314 OH2 TIP3 754 38.933 30.610 27.022 1.00 0.00 WT1 O ATOM 5315 H1 TIP3 754 38.796 30.912 26.124 1.00 0.00 WT1 H ATOM 5316 H2 TIP3 754 38.701 31.362 27.567 1.00 0.00 WT1 H ATOM 5317 OH2 TIP3 755 48.872 54.977 40.488 1.00 0.00 WT1 O ATOM 5318 H1 TIP3 755 49.371 55.501 39.862 1.00 0.00 WT1 H ATOM 5319 H2 TIP3 755 48.088 55.497 40.666 1.00 0.00 WT1 H ATOM 5320 OH2 TIP3 756 65.017 89.041 24.987 1.00 0.00 WT1 O ATOM 5321 H1 TIP3 756 65.279 89.402 25.835 1.00 0.00 WT1 H ATOM 5322 H2 TIP3 756 65.732 88.451 24.747 1.00 0.00 WT1 H ATOM 5323 OH2 TIP3 757 40.252 54.579 -4.378 1.00 0.00 WT1 O ATOM 5324 H1 TIP3 757 40.241 55.328 -3.783 1.00 0.00 WT1 H ATOM 5325 H2 TIP3 757 41.159 54.273 -4.363 1.00 0.00 WT1 H ATOM 5326 OH2 TIP3 758 83.700 17.855 64.069 1.00 0.00 WT1 O ATOM 5327 H1 TIP3 758 83.284 18.273 64.822 1.00 0.00 WT1 H ATOM 5328 H2 TIP3 758 84.213 17.140 64.444 1.00 0.00 WT1 H ATOM 5329 OH2 TIP3 759 76.158 58.159 55.189 1.00 0.00 WT1 O ATOM 5330 H1 TIP3 759 75.606 58.831 54.790 1.00 0.00 WT1 H ATOM 5331 H2 TIP3 759 76.626 57.764 54.453 1.00 0.00 WT1 H ATOM 5332 OH2 TIP3 760 52.827 49.578 61.637 1.00 0.00 WT1 O ATOM 5333 H1 TIP3 760 52.823 50.469 61.988 1.00 0.00 WT1 H ATOM 5334 H2 TIP3 760 51.957 49.236 61.844 1.00 0.00 WT1 H ATOM 5335 OH2 TIP3 761 30.656 40.064 10.244 1.00 0.00 WT1 O ATOM 5336 H1 TIP3 761 30.415 40.745 9.616 1.00 0.00 WT1 H ATOM 5337 H2 TIP3 761 29.976 40.107 10.917 1.00 0.00 WT1 H ATOM 5338 OH2 TIP3 762 74.352 2.559 -18.820 1.00 0.00 WT1 O ATOM 5339 H1 TIP3 762 73.972 2.423 -17.952 1.00 0.00 WT1 H ATOM 5340 H2 TIP3 762 74.152 3.471 -19.029 1.00 0.00 WT1 H ATOM 5341 OH2 TIP3 763 26.940 85.717 -6.190 1.00 0.00 WT1 O ATOM 5342 H1 TIP3 763 26.726 85.476 -7.091 1.00 0.00 WT1 H ATOM 5343 H2 TIP3 763 27.893 85.801 -6.183 1.00 0.00 WT1 H ATOM 5344 OH2 TIP3 764 76.334 59.131 10.990 1.00 0.00 WT1 O ATOM 5345 H1 TIP3 764 76.410 59.599 11.822 1.00 0.00 WT1 H ATOM 5346 H2 TIP3 764 75.392 59.074 10.832 1.00 0.00 WT1 H ATOM 5347 OH2 TIP3 765 28.848 33.158 0.561 1.00 0.00 WT1 O ATOM 5348 H1 TIP3 765 28.991 33.270 -0.379 1.00 0.00 WT1 H ATOM 5349 H2 TIP3 765 28.176 33.803 0.780 1.00 0.00 WT1 H ATOM 5350 OH2 TIP3 766 39.150 4.295 6.937 1.00 0.00 WT1 O ATOM 5351 H1 TIP3 766 39.271 4.862 7.699 1.00 0.00 WT1 H ATOM 5352 H2 TIP3 766 39.982 4.342 6.468 1.00 0.00 WT1 H ATOM 5353 OH2 TIP3 767 24.460 38.094 -6.339 1.00 0.00 WT1 O ATOM 5354 H1 TIP3 767 25.153 37.575 -5.931 1.00 0.00 WT1 H ATOM 5355 H2 TIP3 767 23.777 38.150 -5.671 1.00 0.00 WT1 H ATOM 5356 OH2 TIP3 768 43.906 81.487 22.309 1.00 0.00 WT1 O ATOM 5357 H1 TIP3 768 43.679 81.045 23.127 1.00 0.00 WT1 H ATOM 5358 H2 TIP3 768 44.616 80.961 21.941 1.00 0.00 WT1 H ATOM 5359 OH2 TIP3 769 69.242 44.536 66.648 1.00 0.00 WT1 O ATOM 5360 H1 TIP3 769 68.611 44.310 67.331 1.00 0.00 WT1 H ATOM 5361 H2 TIP3 769 68.806 45.218 66.136 1.00 0.00 WT1 H ATOM 5362 OH2 TIP3 770 63.928 34.175 -8.028 1.00 0.00 WT1 O ATOM 5363 H1 TIP3 770 64.573 34.854 -7.832 1.00 0.00 WT1 H ATOM 5364 H2 TIP3 770 64.138 33.463 -7.424 1.00 0.00 WT1 H ATOM 5365 OH2 TIP3 771 84.820 40.962 19.747 1.00 0.00 WT1 O ATOM 5366 H1 TIP3 771 85.274 40.628 18.974 1.00 0.00 WT1 H ATOM 5367 H2 TIP3 771 84.429 40.186 20.150 1.00 0.00 WT1 H ATOM 5368 OH2 TIP3 772 42.592 44.108 48.253 1.00 0.00 WT1 O ATOM 5369 H1 TIP3 772 43.450 44.338 47.897 1.00 0.00 WT1 H ATOM 5370 H2 TIP3 772 42.080 43.837 47.491 1.00 0.00 WT1 H ATOM 5371 OH2 TIP3 773 78.616 61.999 46.703 1.00 0.00 WT1 O ATOM 5372 H1 TIP3 773 78.992 62.806 46.352 1.00 0.00 WT1 H ATOM 5373 H2 TIP3 773 77.685 62.192 46.806 1.00 0.00 WT1 H ATOM 5374 OH2 TIP3 774 41.103 63.744 -10.824 1.00 0.00 WT1 O ATOM 5375 H1 TIP3 774 40.275 63.687 -10.348 1.00 0.00 WT1 H ATOM 5376 H2 TIP3 774 41.719 64.114 -10.192 1.00 0.00 WT1 H ATOM 5377 OH2 TIP3 775 73.589 19.531 12.240 1.00 0.00 WT1 O ATOM 5378 H1 TIP3 775 73.155 19.677 13.081 1.00 0.00 WT1 H ATOM 5379 H2 TIP3 775 73.143 20.123 11.634 1.00 0.00 WT1 H ATOM 5380 OH2 TIP3 776 52.480 49.651 -0.812 1.00 0.00 WT1 O ATOM 5381 H1 TIP3 776 52.050 49.227 -0.069 1.00 0.00 WT1 H ATOM 5382 H2 TIP3 776 52.484 50.582 -0.587 1.00 0.00 WT1 H ATOM 5383 OH2 TIP3 777 57.006 91.662 33.308 1.00 0.00 WT1 O ATOM 5384 H1 TIP3 777 56.704 92.002 34.150 1.00 0.00 WT1 H ATOM 5385 H2 TIP3 777 56.715 90.750 33.299 1.00 0.00 WT1 H ATOM 5386 OH2 TIP3 778 80.729 8.137 40.368 1.00 0.00 WT1 O ATOM 5387 H1 TIP3 778 79.849 8.332 40.044 1.00 0.00 WT1 H ATOM 5388 H2 TIP3 778 81.236 8.926 40.173 1.00 0.00 WT1 H ATOM 5389 OH2 TIP3 780 64.841 27.647 -18.593 1.00 0.00 WT1 O ATOM 5390 H1 TIP3 780 64.551 28.348 -19.177 1.00 0.00 WT1 H ATOM 5391 H2 TIP3 780 65.021 28.087 -17.762 1.00 0.00 WT1 H ATOM 5392 OH2 TIP3 781 55.213 69.679 10.078 1.00 0.00 WT1 O ATOM 5393 H1 TIP3 781 56.060 70.123 10.039 1.00 0.00 WT1 H ATOM 5394 H2 TIP3 781 55.341 68.973 10.712 1.00 0.00 WT1 H ATOM 5395 OH2 TIP3 782 72.338 22.393 22.939 1.00 0.00 WT1 O ATOM 5396 H1 TIP3 782 72.050 21.482 22.991 1.00 0.00 WT1 H ATOM 5397 H2 TIP3 782 71.549 22.881 22.703 1.00 0.00 WT1 H ATOM 5398 OH2 TIP3 783 58.031 62.633 -15.023 1.00 0.00 WT1 O ATOM 5399 H1 TIP3 783 57.783 63.315 -15.648 1.00 0.00 WT1 H ATOM 5400 H2 TIP3 783 57.199 62.261 -14.732 1.00 0.00 WT1 H ATOM 5401 OH2 TIP3 784 72.123 51.349 17.491 1.00 0.00 WT1 O ATOM 5402 H1 TIP3 784 72.101 50.667 18.163 1.00 0.00 WT1 H ATOM 5403 H2 TIP3 784 71.318 51.848 17.629 1.00 0.00 WT1 H ATOM 5404 OH2 TIP3 785 34.957 82.866 -9.001 1.00 0.00 WT1 O ATOM 5405 H1 TIP3 785 34.848 82.592 -8.090 1.00 0.00 WT1 H ATOM 5406 H2 TIP3 785 34.089 83.172 -9.265 1.00 0.00 WT1 H ATOM 5407 OH2 TIP3 786 53.633 92.539 38.338 1.00 0.00 WT1 O ATOM 5408 H1 TIP3 786 52.677 92.520 38.368 1.00 0.00 WT1 H ATOM 5409 H2 TIP3 786 53.859 92.061 37.540 1.00 0.00 WT1 H ATOM 5410 OH2 TIP3 787 89.932 32.753 13.442 1.00 0.00 WT1 O ATOM 5411 H1 TIP3 787 90.000 32.727 12.487 1.00 0.00 WT1 H ATOM 5412 H2 TIP3 787 90.818 32.566 13.751 1.00 0.00 WT1 H ATOM 5413 OH2 TIP3 788 77.027 55.343 -0.780 1.00 0.00 WT1 O ATOM 5414 H1 TIP3 788 76.895 56.287 -0.864 1.00 0.00 WT1 H ATOM 5415 H2 TIP3 788 77.230 55.210 0.146 1.00 0.00 WT1 H ATOM 5416 OH2 TIP3 789 68.394 50.747 4.701 1.00 0.00 WT1 O ATOM 5417 H1 TIP3 789 67.909 49.929 4.592 1.00 0.00 WT1 H ATOM 5418 H2 TIP3 789 67.765 51.348 5.100 1.00 0.00 WT1 H ATOM 5419 OH2 TIP3 790 76.362 25.717 35.726 1.00 0.00 WT1 O ATOM 5420 H1 TIP3 790 75.499 26.130 35.712 1.00 0.00 WT1 H ATOM 5421 H2 TIP3 790 76.287 24.982 35.118 1.00 0.00 WT1 H ATOM 5422 OH2 TIP3 791 71.086 58.498 36.996 1.00 0.00 WT1 O ATOM 5423 H1 TIP3 791 71.286 57.613 36.692 1.00 0.00 WT1 H ATOM 5424 H2 TIP3 791 70.140 58.584 36.881 1.00 0.00 WT1 H ATOM 5425 OH2 TIP3 792 84.423 73.506 24.200 1.00 0.00 WT1 O ATOM 5426 H1 TIP3 792 85.061 72.905 23.815 1.00 0.00 WT1 H ATOM 5427 H2 TIP3 792 84.188 73.104 25.036 1.00 0.00 WT1 H ATOM 5428 OH2 TIP3 793 61.659 20.788 43.885 1.00 0.00 WT1 O ATOM 5429 H1 TIP3 793 61.157 20.084 43.475 1.00 0.00 WT1 H ATOM 5430 H2 TIP3 793 61.184 20.983 44.693 1.00 0.00 WT1 H ATOM 5431 OH2 TIP3 794 50.005 22.552 -1.037 1.00 0.00 WT1 O ATOM 5432 H1 TIP3 794 50.662 22.771 -0.375 1.00 0.00 WT1 H ATOM 5433 H2 TIP3 794 49.665 23.399 -1.326 1.00 0.00 WT1 H ATOM 5434 OH2 TIP3 795 34.906 29.028 39.283 1.00 0.00 WT1 O ATOM 5435 H1 TIP3 795 34.430 28.417 38.720 1.00 0.00 WT1 H ATOM 5436 H2 TIP3 795 34.711 29.891 38.918 1.00 0.00 WT1 H ATOM 5437 OH2 TIP3 796 75.444 42.569 43.008 1.00 0.00 WT1 O ATOM 5438 H1 TIP3 796 75.519 43.171 43.748 1.00 0.00 WT1 H ATOM 5439 H2 TIP3 796 76.283 42.643 42.552 1.00 0.00 WT1 H ATOM 5440 OH2 TIP3 797 40.190 79.353 5.193 1.00 0.00 WT1 O ATOM 5441 H1 TIP3 797 40.209 78.573 4.638 1.00 0.00 WT1 H ATOM 5442 H2 TIP3 797 39.453 79.866 4.861 1.00 0.00 WT1 H ATOM 5443 OH2 TIP3 798 68.479 24.673 38.811 1.00 0.00 WT1 O ATOM 5444 H1 TIP3 798 68.895 24.475 37.972 1.00 0.00 WT1 H ATOM 5445 H2 TIP3 798 68.030 23.863 39.054 1.00 0.00 WT1 H ATOM 5446 OH2 TIP3 800 42.434 62.132 55.584 1.00 0.00 WT1 O ATOM 5447 H1 TIP3 800 42.933 61.742 54.866 1.00 0.00 WT1 H ATOM 5448 H2 TIP3 800 41.531 62.149 55.267 1.00 0.00 WT1 H ATOM 5449 OH2 TIP3 801 22.793 42.618 10.551 1.00 0.00 WT1 O ATOM 5450 H1 TIP3 801 22.250 43.000 11.241 1.00 0.00 WT1 H ATOM 5451 H2 TIP3 801 23.467 43.277 10.383 1.00 0.00 WT1 H ATOM 5452 OH2 TIP3 802 48.593 89.197 50.918 1.00 0.00 WT1 O ATOM 5453 H1 TIP3 802 48.723 89.102 49.974 1.00 0.00 WT1 H ATOM 5454 H2 TIP3 802 48.061 88.441 51.165 1.00 0.00 WT1 H ATOM 5455 OH2 TIP3 803 42.358 67.316 -17.030 1.00 0.00 WT1 O ATOM 5456 H1 TIP3 803 42.164 68.069 -16.472 1.00 0.00 WT1 H ATOM 5457 H2 TIP3 803 41.622 66.720 -16.893 1.00 0.00 WT1 H ATOM 5458 OH2 TIP3 804 87.754 40.747 5.603 1.00 0.00 WT1 O ATOM 5459 H1 TIP3 804 87.271 41.005 4.817 1.00 0.00 WT1 H ATOM 5460 H2 TIP3 804 88.581 40.397 5.273 1.00 0.00 WT1 H ATOM 5461 OH2 TIP3 805 21.918 5.404 36.557 1.00 0.00 WT1 O ATOM 5462 H1 TIP3 805 22.498 5.001 35.912 1.00 0.00 WT1 H ATOM 5463 H2 TIP3 805 21.550 4.666 37.044 1.00 0.00 WT1 H ATOM 5464 OH2 TIP3 806 78.128 24.512 56.765 1.00 0.00 WT1 O ATOM 5465 H1 TIP3 806 77.887 24.507 55.839 1.00 0.00 WT1 H ATOM 5466 H2 TIP3 806 77.755 25.325 57.106 1.00 0.00 WT1 H ATOM 5467 OH2 TIP3 807 52.689 39.643 2.505 1.00 0.00 WT1 O ATOM 5468 H1 TIP3 807 52.670 39.038 3.247 1.00 0.00 WT1 H ATOM 5469 H2 TIP3 807 53.234 39.205 1.852 1.00 0.00 WT1 H ATOM 5470 OH2 TIP3 808 85.415 7.033 5.531 1.00 0.00 WT1 O ATOM 5471 H1 TIP3 808 86.110 6.380 5.452 1.00 0.00 WT1 H ATOM 5472 H2 TIP3 808 85.151 7.213 4.629 1.00 0.00 WT1 H ATOM 5473 OH2 TIP3 809 81.957 65.328 -2.144 1.00 0.00 WT1 O ATOM 5474 H1 TIP3 809 82.828 64.960 -2.294 1.00 0.00 WT1 H ATOM 5475 H2 TIP3 809 81.361 64.723 -2.584 1.00 0.00 WT1 H ATOM 5476 OH2 TIP3 810 51.289 31.213 12.686 1.00 0.00 WT1 O ATOM 5477 H1 TIP3 810 50.834 30.835 11.934 1.00 0.00 WT1 H ATOM 5478 H2 TIP3 810 50.602 31.654 13.186 1.00 0.00 WT1 H ATOM 5479 OH2 TIP3 812 81.045 51.296 -6.313 1.00 0.00 WT1 O ATOM 5480 H1 TIP3 812 80.214 51.431 -6.769 1.00 0.00 WT1 H ATOM 5481 H2 TIP3 812 81.712 51.416 -6.990 1.00 0.00 WT1 H ATOM 5482 OH2 TIP3 813 40.587 32.963 48.752 1.00 0.00 WT1 O ATOM 5483 H1 TIP3 813 41.453 32.735 48.412 1.00 0.00 WT1 H ATOM 5484 H2 TIP3 813 39.999 32.316 48.362 1.00 0.00 WT1 H ATOM 5485 OH2 TIP3 814 29.599 23.130 22.183 1.00 0.00 WT1 O ATOM 5486 H1 TIP3 814 29.295 23.398 23.050 1.00 0.00 WT1 H ATOM 5487 H2 TIP3 814 29.930 23.935 21.785 1.00 0.00 WT1 H ATOM 5488 OH2 TIP3 815 71.261 56.455 51.171 1.00 0.00 WT1 O ATOM 5489 H1 TIP3 815 71.458 55.587 51.524 1.00 0.00 WT1 H ATOM 5490 H2 TIP3 815 70.930 56.286 50.289 1.00 0.00 WT1 H ATOM 5491 OH2 TIP3 816 44.014 30.444 -0.207 1.00 0.00 WT1 O ATOM 5492 H1 TIP3 816 44.555 30.128 -0.931 1.00 0.00 WT1 H ATOM 5493 H2 TIP3 816 44.625 30.913 0.361 1.00 0.00 WT1 H ATOM 5494 OH2 TIP3 817 35.456 94.696 63.687 1.00 0.00 WT1 O ATOM 5495 H1 TIP3 817 34.781 94.104 64.019 1.00 0.00 WT1 H ATOM 5496 H2 TIP3 817 36.267 94.384 64.086 1.00 0.00 WT1 H ATOM 5497 OH2 TIP3 818 33.058 63.060 45.895 1.00 0.00 WT1 O ATOM 5498 H1 TIP3 818 33.197 62.116 45.959 1.00 0.00 WT1 H ATOM 5499 H2 TIP3 818 33.431 63.301 45.047 1.00 0.00 WT1 H ATOM 5500 OH2 TIP3 819 84.940 61.657 13.911 1.00 0.00 WT1 O ATOM 5501 H1 TIP3 819 85.752 61.700 13.405 1.00 0.00 WT1 H ATOM 5502 H2 TIP3 819 84.246 61.729 13.256 1.00 0.00 WT1 H ATOM 5503 OH2 TIP3 820 26.926 42.564 -14.528 1.00 0.00 WT1 O ATOM 5504 H1 TIP3 820 26.226 43.137 -14.217 1.00 0.00 WT1 H ATOM 5505 H2 TIP3 820 27.623 42.662 -13.879 1.00 0.00 WT1 H ATOM 5506 OH2 TIP3 821 72.561 2.861 27.545 1.00 0.00 WT1 O ATOM 5507 H1 TIP3 821 73.001 2.460 28.294 1.00 0.00 WT1 H ATOM 5508 H2 TIP3 821 72.148 2.128 27.089 1.00 0.00 WT1 H ATOM 5509 OH2 TIP3 822 73.764 80.259 -8.171 1.00 0.00 WT1 O ATOM 5510 H1 TIP3 822 74.109 81.152 -8.197 1.00 0.00 WT1 H ATOM 5511 H2 TIP3 822 73.944 79.958 -7.281 1.00 0.00 WT1 H ATOM 5512 OH2 TIP3 823 28.482 61.983 30.773 1.00 0.00 WT1 O ATOM 5513 H1 TIP3 823 28.665 61.322 30.105 1.00 0.00 WT1 H ATOM 5514 H2 TIP3 823 29.089 61.780 31.485 1.00 0.00 WT1 H ATOM 5515 OH2 TIP3 824 41.744 83.755 8.975 1.00 0.00 WT1 O ATOM 5516 H1 TIP3 824 42.198 83.331 8.246 1.00 0.00 WT1 H ATOM 5517 H2 TIP3 824 41.388 84.560 8.600 1.00 0.00 WT1 H ATOM 5518 OH2 TIP3 825 28.164 28.076 57.384 1.00 0.00 WT1 O ATOM 5519 H1 TIP3 825 28.538 27.927 58.253 1.00 0.00 WT1 H ATOM 5520 H2 TIP3 825 28.273 27.241 56.929 1.00 0.00 WT1 H ATOM 5521 OH2 TIP3 826 45.253 49.767 10.102 1.00 0.00 WT1 O ATOM 5522 H1 TIP3 826 45.718 50.130 10.856 1.00 0.00 WT1 H ATOM 5523 H2 TIP3 826 45.166 48.835 10.299 1.00 0.00 WT1 H ATOM 5524 OH2 TIP3 827 63.109 31.800 -0.970 1.00 0.00 WT1 O ATOM 5525 H1 TIP3 827 62.821 32.708 -1.060 1.00 0.00 WT1 H ATOM 5526 H2 TIP3 827 64.064 31.854 -0.924 1.00 0.00 WT1 H ATOM 5527 OH2 TIP3 828 61.553 93.825 21.440 1.00 0.00 WT1 O ATOM 5528 H1 TIP3 828 60.841 94.451 21.307 1.00 0.00 WT1 H ATOM 5529 H2 TIP3 828 61.181 93.156 22.015 1.00 0.00 WT1 H ATOM 5530 OH2 TIP3 829 48.435 31.466 3.134 1.00 0.00 WT1 O ATOM 5531 H1 TIP3 829 48.365 30.519 3.257 1.00 0.00 WT1 H ATOM 5532 H2 TIP3 829 48.218 31.836 3.989 1.00 0.00 WT1 H ATOM 5533 OH2 TIP3 830 55.038 43.948 -0.873 1.00 0.00 WT1 O ATOM 5534 H1 TIP3 830 54.600 43.778 -0.039 1.00 0.00 WT1 H ATOM 5535 H2 TIP3 830 55.910 43.567 -0.769 1.00 0.00 WT1 H ATOM 5536 OH2 TIP3 831 62.296 1.168 28.516 1.00 0.00 WT1 O ATOM 5537 H1 TIP3 831 63.147 1.067 28.942 1.00 0.00 WT1 H ATOM 5538 H2 TIP3 831 61.761 0.462 28.880 1.00 0.00 WT1 H ATOM 5539 OH2 TIP3 832 61.040 44.087 -4.097 1.00 0.00 WT1 O ATOM 5540 H1 TIP3 832 60.683 44.036 -3.210 1.00 0.00 WT1 H ATOM 5541 H2 TIP3 832 61.948 43.799 -4.007 1.00 0.00 WT1 H ATOM 5542 OH2 TIP3 833 53.942 40.064 36.318 1.00 0.00 WT1 O ATOM 5543 H1 TIP3 833 53.342 39.560 35.769 1.00 0.00 WT1 H ATOM 5544 H2 TIP3 833 53.750 40.978 36.107 1.00 0.00 WT1 H ATOM 5545 OH2 TIP3 834 33.194 18.111 61.625 1.00 0.00 WT1 O ATOM 5546 H1 TIP3 834 32.667 18.784 61.194 1.00 0.00 WT1 H ATOM 5547 H2 TIP3 834 32.554 17.497 61.983 1.00 0.00 WT1 H ATOM 5548 OH2 TIP3 835 79.928 89.159 -11.332 1.00 0.00 WT1 O ATOM 5549 H1 TIP3 835 79.284 89.866 -11.284 1.00 0.00 WT1 H ATOM 5550 H2 TIP3 835 80.763 89.605 -11.476 1.00 0.00 WT1 H ATOM 5551 OH2 TIP3 836 74.873 69.695 41.491 1.00 0.00 WT1 O ATOM 5552 H1 TIP3 836 75.503 69.060 41.148 1.00 0.00 WT1 H ATOM 5553 H2 TIP3 836 74.761 70.329 40.783 1.00 0.00 WT1 H ATOM 5554 OH2 TIP3 837 60.037 63.375 26.844 1.00 0.00 WT1 O ATOM 5555 H1 TIP3 837 60.017 63.570 25.907 1.00 0.00 WT1 H ATOM 5556 H2 TIP3 837 59.689 62.486 26.911 1.00 0.00 WT1 H ATOM 5557 OH2 TIP3 838 57.911 85.581 34.034 1.00 0.00 WT1 O ATOM 5558 H1 TIP3 838 57.043 85.258 34.276 1.00 0.00 WT1 H ATOM 5559 H2 TIP3 838 58.041 86.355 34.582 1.00 0.00 WT1 H ATOM 5560 OH2 TIP3 839 69.250 31.583 59.615 1.00 0.00 WT1 O ATOM 5561 H1 TIP3 839 68.730 31.976 58.914 1.00 0.00 WT1 H ATOM 5562 H2 TIP3 839 69.719 32.319 60.007 1.00 0.00 WT1 H ATOM 5563 OH2 TIP3 840 43.298 36.711 -17.050 1.00 0.00 WT1 O ATOM 5564 H1 TIP3 840 43.504 35.782 -16.947 1.00 0.00 WT1 H ATOM 5565 H2 TIP3 840 42.627 36.884 -16.390 1.00 0.00 WT1 H ATOM 5566 OH2 TIP3 841 54.874 4.342 50.158 1.00 0.00 WT1 O ATOM 5567 H1 TIP3 841 53.945 4.152 50.288 1.00 0.00 WT1 H ATOM 5568 H2 TIP3 841 55.058 5.065 50.757 1.00 0.00 WT1 H ATOM 5569 OH2 TIP3 842 30.170 82.041 65.628 1.00 0.00 WT1 O ATOM 5570 H1 TIP3 842 29.987 82.810 65.088 1.00 0.00 WT1 H ATOM 5571 H2 TIP3 842 30.374 81.349 65.000 1.00 0.00 WT1 H ATOM 5572 OH2 TIP3 843 61.155 86.018 -10.111 1.00 0.00 WT1 O ATOM 5573 H1 TIP3 843 62.101 85.928 -9.990 1.00 0.00 WT1 H ATOM 5574 H2 TIP3 843 60.827 85.119 -10.111 1.00 0.00 WT1 H ATOM 5575 OH2 TIP3 844 36.908 88.461 19.948 1.00 0.00 WT1 O ATOM 5576 H1 TIP3 844 37.565 88.998 19.505 1.00 0.00 WT1 H ATOM 5577 H2 TIP3 844 36.457 89.068 20.534 1.00 0.00 WT1 H ATOM 5578 OH2 TIP3 845 51.126 49.930 50.362 1.00 0.00 WT1 O ATOM 5579 H1 TIP3 845 50.609 49.541 49.657 1.00 0.00 WT1 H ATOM 5580 H2 TIP3 845 51.899 50.286 49.925 1.00 0.00 WT1 H ATOM 5581 OH2 TIP3 846 32.631 57.348 59.007 1.00 0.00 WT1 O ATOM 5582 H1 TIP3 846 31.960 57.321 58.325 1.00 0.00 WT1 H ATOM 5583 H2 TIP3 846 33.265 57.995 58.696 1.00 0.00 WT1 H ATOM 5584 OH2 TIP3 847 65.858 60.511 17.440 1.00 0.00 WT1 O ATOM 5585 H1 TIP3 847 65.473 61.237 17.930 1.00 0.00 WT1 H ATOM 5586 H2 TIP3 847 65.288 59.765 17.628 1.00 0.00 WT1 H ATOM 5587 OH2 TIP3 848 84.417 47.899 8.775 1.00 0.00 WT1 O ATOM 5588 H1 TIP3 848 84.279 48.816 9.012 1.00 0.00 WT1 H ATOM 5589 H2 TIP3 848 84.689 47.928 7.857 1.00 0.00 WT1 H ATOM 5590 OH2 TIP3 849 56.822 3.316 37.586 1.00 0.00 WT1 O ATOM 5591 H1 TIP3 849 56.503 3.037 36.728 1.00 0.00 WT1 H ATOM 5592 H2 TIP3 849 56.940 4.262 37.503 1.00 0.00 WT1 H ATOM 5593 OH2 TIP3 850 72.668 73.037 -14.935 1.00 0.00 WT1 O ATOM 5594 H1 TIP3 850 72.609 72.680 -14.049 1.00 0.00 WT1 H ATOM 5595 H2 TIP3 850 72.969 73.938 -14.812 1.00 0.00 WT1 H ATOM 5596 OH2 TIP3 851 35.010 54.734 20.410 1.00 0.00 WT1 O ATOM 5597 H1 TIP3 851 35.638 55.098 19.785 1.00 0.00 WT1 H ATOM 5598 H2 TIP3 851 35.529 54.558 21.195 1.00 0.00 WT1 H ATOM 5599 OH2 TIP3 852 79.382 25.420 11.554 1.00 0.00 WT1 O ATOM 5600 H1 TIP3 852 78.425 25.433 11.543 1.00 0.00 WT1 H ATOM 5601 H2 TIP3 852 79.606 24.903 12.328 1.00 0.00 WT1 H ATOM 5602 OH2 TIP3 853 65.760 18.364 26.276 1.00 0.00 WT1 O ATOM 5603 H1 TIP3 853 66.550 18.288 25.741 1.00 0.00 WT1 H ATOM 5604 H2 TIP3 853 65.364 19.192 26.004 1.00 0.00 WT1 H ATOM 5605 OH2 TIP3 854 44.973 4.829 64.023 1.00 0.00 WT1 O ATOM 5606 H1 TIP3 854 45.911 4.678 63.907 1.00 0.00 WT1 H ATOM 5607 H2 TIP3 854 44.564 4.000 63.773 1.00 0.00 WT1 H ATOM 5608 OH2 TIP3 855 54.856 67.626 28.347 1.00 0.00 WT1 O ATOM 5609 H1 TIP3 855 55.774 67.897 28.344 1.00 0.00 WT1 H ATOM 5610 H2 TIP3 855 54.874 66.714 28.056 1.00 0.00 WT1 H ATOM 5611 OH2 TIP3 856 51.546 52.253 -0.376 1.00 0.00 WT1 O ATOM 5612 H1 TIP3 856 51.789 52.483 0.521 1.00 0.00 WT1 H ATOM 5613 H2 TIP3 856 50.645 52.564 -0.468 1.00 0.00 WT1 H ATOM 5614 OH2 TIP3 857 25.638 52.295 25.669 1.00 0.00 WT1 O ATOM 5615 H1 TIP3 857 25.293 51.576 26.199 1.00 0.00 WT1 H ATOM 5616 H2 TIP3 857 24.908 52.909 25.594 1.00 0.00 WT1 H ATOM 5617 OH2 TIP3 858 37.956 83.914 -2.493 1.00 0.00 WT1 O ATOM 5618 H1 TIP3 858 37.753 84.011 -3.424 1.00 0.00 WT1 H ATOM 5619 H2 TIP3 858 37.794 84.781 -2.121 1.00 0.00 WT1 H ATOM 5620 OH2 TIP3 859 84.441 34.629 65.983 1.00 0.00 WT1 O ATOM 5621 H1 TIP3 859 84.693 34.752 65.068 1.00 0.00 WT1 H ATOM 5622 H2 TIP3 859 84.393 35.515 66.341 1.00 0.00 WT1 H ATOM 5623 OH2 TIP3 860 65.604 65.152 2.925 1.00 0.00 WT1 O ATOM 5624 H1 TIP3 860 66.397 65.619 3.186 1.00 0.00 WT1 H ATOM 5625 H2 TIP3 860 64.887 65.731 3.187 1.00 0.00 WT1 H ATOM 5626 OH2 TIP3 861 42.903 75.022 18.957 1.00 0.00 WT1 O ATOM 5627 H1 TIP3 861 43.547 74.586 19.515 1.00 0.00 WT1 H ATOM 5628 H2 TIP3 861 42.567 74.328 18.390 1.00 0.00 WT1 H ATOM 5629 OH2 TIP3 862 40.317 90.642 24.838 1.00 0.00 WT1 O ATOM 5630 H1 TIP3 862 39.920 90.763 23.975 1.00 0.00 WT1 H ATOM 5631 H2 TIP3 862 40.447 89.697 24.911 1.00 0.00 WT1 H ATOM 5632 OH2 TIP3 863 56.735 29.939 62.649 1.00 0.00 WT1 O ATOM 5633 H1 TIP3 863 55.912 29.712 63.083 1.00 0.00 WT1 H ATOM 5634 H2 TIP3 863 56.474 30.495 61.915 1.00 0.00 WT1 H ATOM 5635 OH2 TIP3 864 40.345 36.892 61.640 1.00 0.00 WT1 O ATOM 5636 H1 TIP3 864 39.798 37.494 62.144 1.00 0.00 WT1 H ATOM 5637 H2 TIP3 864 39.802 36.642 60.893 1.00 0.00 WT1 H ATOM 5638 OH2 TIP3 865 39.187 33.373 33.063 1.00 0.00 WT1 O ATOM 5639 H1 TIP3 865 39.391 34.028 33.730 1.00 0.00 WT1 H ATOM 5640 H2 TIP3 865 39.497 33.760 32.244 1.00 0.00 WT1 H ATOM 5641 OH2 TIP3 866 81.167 92.529 27.741 1.00 0.00 WT1 O ATOM 5642 H1 TIP3 866 81.383 91.733 28.227 1.00 0.00 WT1 H ATOM 5643 H2 TIP3 866 80.647 93.049 28.354 1.00 0.00 WT1 H ATOM 5644 OH2 TIP3 867 77.810 96.825 61.241 1.00 0.00 WT1 O ATOM 5645 H1 TIP3 867 78.749 96.792 61.058 1.00 0.00 WT1 H ATOM 5646 H2 TIP3 867 77.545 95.907 61.301 1.00 0.00 WT1 H ATOM 5647 OH2 TIP3 869 55.623 47.729 60.911 1.00 0.00 WT1 O ATOM 5648 H1 TIP3 869 55.140 47.799 61.734 1.00 0.00 WT1 H ATOM 5649 H2 TIP3 869 55.171 48.327 60.315 1.00 0.00 WT1 H ATOM 5650 OH2 TIP3 870 88.349 5.500 -13.616 1.00 0.00 WT1 O ATOM 5651 H1 TIP3 870 88.543 5.496 -12.679 1.00 0.00 WT1 H ATOM 5652 H2 TIP3 870 87.396 5.414 -13.664 1.00 0.00 WT1 H ATOM 5653 OH2 TIP3 871 38.822 68.298 56.818 1.00 0.00 WT1 O ATOM 5654 H1 TIP3 871 38.524 67.394 56.919 1.00 0.00 WT1 H ATOM 5655 H2 TIP3 871 39.681 68.223 56.403 1.00 0.00 WT1 H ATOM 5656 OH2 TIP3 872 48.615 36.236 66.066 1.00 0.00 WT1 O ATOM 5657 H1 TIP3 872 49.155 36.967 66.364 1.00 0.00 WT1 H ATOM 5658 H2 TIP3 872 47.981 36.104 66.771 1.00 0.00 WT1 H ATOM 5659 OH2 TIP3 873 54.320 56.958 10.318 1.00 0.00 WT1 O ATOM 5660 H1 TIP3 873 55.199 57.316 10.190 1.00 0.00 WT1 H ATOM 5661 H2 TIP3 873 54.417 56.336 11.039 1.00 0.00 WT1 H ATOM 5662 OH2 TIP3 874 28.318 66.515 40.013 1.00 0.00 WT1 O ATOM 5663 H1 TIP3 874 28.861 66.745 40.767 1.00 0.00 WT1 H ATOM 5664 H2 TIP3 874 28.756 66.926 39.267 1.00 0.00 WT1 H ATOM 5665 OH2 TIP3 875 34.301 63.883 5.055 1.00 0.00 WT1 O ATOM 5666 H1 TIP3 875 33.354 64.004 5.121 1.00 0.00 WT1 H ATOM 5667 H2 TIP3 875 34.607 63.887 5.962 1.00 0.00 WT1 H ATOM 5668 OH2 TIP3 876 32.258 62.317 39.748 1.00 0.00 WT1 O ATOM 5669 H1 TIP3 876 31.522 62.875 39.494 1.00 0.00 WT1 H ATOM 5670 H2 TIP3 876 32.862 62.364 39.007 1.00 0.00 WT1 H ATOM 5671 OH2 TIP3 877 30.136 31.907 48.336 1.00 0.00 WT1 O ATOM 5672 H1 TIP3 877 29.312 31.682 47.904 1.00 0.00 WT1 H ATOM 5673 H2 TIP3 877 30.297 31.180 48.938 1.00 0.00 WT1 H ATOM 5674 OH2 TIP3 878 55.674 8.752 30.533 1.00 0.00 WT1 O ATOM 5675 H1 TIP3 878 56.306 8.036 30.474 1.00 0.00 WT1 H ATOM 5676 H2 TIP3 878 56.169 9.530 30.277 1.00 0.00 WT1 H ATOM 5677 OH2 TIP3 880 83.554 58.608 23.300 1.00 0.00 WT1 O ATOM 5678 H1 TIP3 880 83.002 58.325 24.029 1.00 0.00 WT1 H ATOM 5679 H2 TIP3 880 82.945 59.002 22.677 1.00 0.00 WT1 H ATOM 5680 OH2 TIP3 881 80.173 49.635 62.947 1.00 0.00 WT1 O ATOM 5681 H1 TIP3 881 80.986 49.843 62.488 1.00 0.00 WT1 H ATOM 5682 H2 TIP3 881 79.541 50.276 62.619 1.00 0.00 WT1 H ATOM 5683 OH2 TIP3 883 54.534 83.369 -2.210 1.00 0.00 WT1 O ATOM 5684 H1 TIP3 883 54.989 83.931 -2.837 1.00 0.00 WT1 H ATOM 5685 H2 TIP3 883 55.032 82.552 -2.213 1.00 0.00 WT1 H ATOM 5686 OH2 TIP3 884 78.023 50.046 56.746 1.00 0.00 WT1 O ATOM 5687 H1 TIP3 884 78.139 50.941 56.428 1.00 0.00 WT1 H ATOM 5688 H2 TIP3 884 77.703 49.560 55.986 1.00 0.00 WT1 H ATOM 5689 OH2 TIP3 885 34.757 6.210 28.429 1.00 0.00 WT1 O ATOM 5690 H1 TIP3 885 34.292 6.119 27.598 1.00 0.00 WT1 H ATOM 5691 H2 TIP3 885 35.534 6.726 28.214 1.00 0.00 WT1 H ATOM 5692 OH2 TIP3 886 62.491 75.362 34.639 1.00 0.00 WT1 O ATOM 5693 H1 TIP3 886 62.828 74.806 33.936 1.00 0.00 WT1 H ATOM 5694 H2 TIP3 886 61.616 75.019 34.818 1.00 0.00 WT1 H ATOM 5695 OH2 TIP3 887 81.818 38.105 10.471 1.00 0.00 WT1 O ATOM 5696 H1 TIP3 887 81.048 38.630 10.692 1.00 0.00 WT1 H ATOM 5697 H2 TIP3 887 82.170 37.827 11.317 1.00 0.00 WT1 H ATOM 5698 OH2 TIP3 889 52.061 9.633 -9.255 1.00 0.00 WT1 O ATOM 5699 H1 TIP3 889 52.173 8.879 -9.834 1.00 0.00 WT1 H ATOM 5700 H2 TIP3 889 51.542 10.254 -9.767 1.00 0.00 WT1 H ATOM 5701 OH2 TIP3 890 51.480 29.912 -1.472 1.00 0.00 WT1 O ATOM 5702 H1 TIP3 890 50.568 29.622 -1.447 1.00 0.00 WT1 H ATOM 5703 H2 TIP3 890 51.493 30.608 -2.130 1.00 0.00 WT1 H ATOM 5704 OH2 TIP3 891 44.392 11.935 20.342 1.00 0.00 WT1 O ATOM 5705 H1 TIP3 891 45.093 11.946 19.690 1.00 0.00 WT1 H ATOM 5706 H2 TIP3 891 44.198 12.859 20.501 1.00 0.00 WT1 H ATOM 5707 OH2 TIP3 893 85.428 37.582 3.274 1.00 0.00 WT1 O ATOM 5708 H1 TIP3 893 85.259 37.652 2.335 1.00 0.00 WT1 H ATOM 5709 H2 TIP3 893 86.381 37.519 3.342 1.00 0.00 WT1 H ATOM 5710 OH2 TIP3 894 75.190 91.013 28.366 1.00 0.00 WT1 O ATOM 5711 H1 TIP3 894 75.388 91.263 27.463 1.00 0.00 WT1 H ATOM 5712 H2 TIP3 894 74.506 91.624 28.640 1.00 0.00 WT1 H ATOM 5713 OH2 TIP3 895 70.134 72.730 7.731 1.00 0.00 WT1 O ATOM 5714 H1 TIP3 895 70.217 73.613 8.093 1.00 0.00 WT1 H ATOM 5715 H2 TIP3 895 69.190 72.573 7.696 1.00 0.00 WT1 H ATOM 5716 OH2 TIP3 896 73.139 1.788 57.930 1.00 0.00 WT1 O ATOM 5717 H1 TIP3 896 72.507 2.095 58.580 1.00 0.00 WT1 H ATOM 5718 H2 TIP3 896 73.717 1.200 58.416 1.00 0.00 WT1 H ATOM 5719 OH2 TIP3 897 31.091 94.850 66.802 1.00 0.00 WT1 O ATOM 5720 H1 TIP3 897 30.692 94.233 66.189 1.00 0.00 WT1 H ATOM 5721 H2 TIP3 897 30.422 94.986 67.474 1.00 0.00 WT1 H ATOM 5722 OH2 TIP3 898 40.758 38.575 -1.981 1.00 0.00 WT1 O ATOM 5723 H1 TIP3 898 41.591 39.037 -1.886 1.00 0.00 WT1 H ATOM 5724 H2 TIP3 898 40.379 38.927 -2.787 1.00 0.00 WT1 H ATOM 5725 OH2 TIP3 899 65.931 85.549 -2.575 1.00 0.00 WT1 O ATOM 5726 H1 TIP3 899 66.781 85.979 -2.478 1.00 0.00 WT1 H ATOM 5727 H2 TIP3 899 65.807 85.074 -1.753 1.00 0.00 WT1 H ATOM 5728 OH2 TIP3 900 52.832 31.201 20.738 1.00 0.00 WT1 O ATOM 5729 H1 TIP3 900 53.538 31.687 20.313 1.00 0.00 WT1 H ATOM 5730 H2 TIP3 900 52.031 31.546 20.344 1.00 0.00 WT1 H ATOM 5731 OH2 TIP3 901 41.104 83.324 57.781 1.00 0.00 WT1 O ATOM 5732 H1 TIP3 901 41.643 83.140 58.551 1.00 0.00 WT1 H ATOM 5733 H2 TIP3 901 41.733 83.542 57.094 1.00 0.00 WT1 H ATOM 5734 OH2 TIP3 902 50.942 85.288 62.767 1.00 0.00 WT1 O ATOM 5735 H1 TIP3 902 50.815 85.233 63.714 1.00 0.00 WT1 H ATOM 5736 H2 TIP3 902 50.855 84.385 62.461 1.00 0.00 WT1 H ATOM 5737 OH2 TIP3 903 24.690 75.279 59.114 1.00 0.00 WT1 O ATOM 5738 H1 TIP3 903 24.865 74.539 58.533 1.00 0.00 WT1 H ATOM 5739 H2 TIP3 903 23.876 75.658 58.782 1.00 0.00 WT1 H ATOM 5740 OH2 TIP3 904 66.174 70.718 22.315 1.00 0.00 WT1 O ATOM 5741 H1 TIP3 904 65.483 70.338 22.858 1.00 0.00 WT1 H ATOM 5742 H2 TIP3 904 66.505 69.982 21.800 1.00 0.00 WT1 H ATOM 5743 OH2 TIP3 905 66.448 61.477 -14.852 1.00 0.00 WT1 O ATOM 5744 H1 TIP3 905 67.220 61.000 -14.548 1.00 0.00 WT1 H ATOM 5745 H2 TIP3 905 65.818 61.396 -14.136 1.00 0.00 WT1 H ATOM 5746 OH2 TIP3 906 38.384 63.719 15.860 1.00 0.00 WT1 O ATOM 5747 H1 TIP3 906 39.212 64.147 16.080 1.00 0.00 WT1 H ATOM 5748 H2 TIP3 906 38.342 62.962 16.443 1.00 0.00 WT1 H ATOM 5749 OH2 TIP3 907 50.553 92.907 -6.687 1.00 0.00 WT1 O ATOM 5750 H1 TIP3 907 50.925 93.208 -7.516 1.00 0.00 WT1 H ATOM 5751 H2 TIP3 907 49.812 92.358 -6.943 1.00 0.00 WT1 H ATOM 5752 OH2 TIP3 908 28.350 1.595 19.371 1.00 0.00 WT1 O ATOM 5753 H1 TIP3 908 27.779 1.850 18.647 1.00 0.00 WT1 H ATOM 5754 H2 TIP3 908 29.048 2.250 19.368 1.00 0.00 WT1 H ATOM 5755 OH2 TIP3 909 50.456 43.784 59.481 1.00 0.00 WT1 O ATOM 5756 H1 TIP3 909 50.845 44.433 58.895 1.00 0.00 WT1 H ATOM 5757 H2 TIP3 909 49.516 43.837 59.308 1.00 0.00 WT1 H ATOM 5758 OH2 TIP3 910 75.190 23.796 -17.584 1.00 0.00 WT1 O ATOM 5759 H1 TIP3 910 74.826 23.246 -18.277 1.00 0.00 WT1 H ATOM 5760 H2 TIP3 910 75.865 23.253 -17.176 1.00 0.00 WT1 H ATOM 5761 OH2 TIP3 911 36.822 4.730 -12.893 1.00 0.00 WT1 O ATOM 5762 H1 TIP3 911 36.158 4.072 -12.687 1.00 0.00 WT1 H ATOM 5763 H2 TIP3 911 37.326 4.347 -13.611 1.00 0.00 WT1 H ATOM 5764 OH2 TIP3 912 45.235 21.407 64.702 1.00 0.00 WT1 O ATOM 5765 H1 TIP3 912 46.147 21.152 64.564 1.00 0.00 WT1 H ATOM 5766 H2 TIP3 912 44.853 21.415 63.824 1.00 0.00 WT1 H ATOM 5767 OH2 TIP3 913 30.373 34.552 -5.639 1.00 0.00 WT1 O ATOM 5768 H1 TIP3 913 30.652 35.454 -5.793 1.00 0.00 WT1 H ATOM 5769 H2 TIP3 913 31.125 34.137 -5.217 1.00 0.00 WT1 H ATOM 5770 OH2 TIP3 914 73.331 64.087 -9.468 1.00 0.00 WT1 O ATOM 5771 H1 TIP3 914 73.939 63.789 -8.791 1.00 0.00 WT1 H ATOM 5772 H2 TIP3 914 72.495 63.683 -9.234 1.00 0.00 WT1 H ATOM 5773 OH2 TIP3 915 49.464 13.607 7.212 1.00 0.00 WT1 O ATOM 5774 H1 TIP3 915 50.333 13.875 7.513 1.00 0.00 WT1 H ATOM 5775 H2 TIP3 915 49.310 14.133 6.427 1.00 0.00 WT1 H ATOM 5776 OH2 TIP3 916 77.391 82.355 7.674 1.00 0.00 WT1 O ATOM 5777 H1 TIP3 916 77.001 81.512 7.905 1.00 0.00 WT1 H ATOM 5778 H2 TIP3 916 78.294 82.144 7.436 1.00 0.00 WT1 H ATOM 5779 OH2 TIP3 917 80.518 9.901 61.465 1.00 0.00 WT1 O ATOM 5780 H1 TIP3 917 79.574 10.045 61.531 1.00 0.00 WT1 H ATOM 5781 H2 TIP3 917 80.602 9.005 61.140 1.00 0.00 WT1 H ATOM 5782 OH2 TIP3 918 31.080 5.051 49.655 1.00 0.00 WT1 O ATOM 5783 H1 TIP3 918 31.754 4.421 49.400 1.00 0.00 WT1 H ATOM 5784 H2 TIP3 918 30.789 5.438 48.829 1.00 0.00 WT1 H ATOM 5785 OH2 TIP3 919 30.128 88.997 53.388 1.00 0.00 WT1 O ATOM 5786 H1 TIP3 919 30.891 88.736 52.872 1.00 0.00 WT1 H ATOM 5787 H2 TIP3 919 30.496 89.443 54.151 1.00 0.00 WT1 H ATOM 5788 OH2 TIP3 921 59.043 58.136 37.616 1.00 0.00 WT1 O ATOM 5789 H1 TIP3 921 58.316 58.655 37.274 1.00 0.00 WT1 H ATOM 5790 H2 TIP3 921 58.746 57.229 37.541 1.00 0.00 WT1 H ATOM 5791 OH2 TIP3 922 60.546 31.658 60.816 1.00 0.00 WT1 O ATOM 5792 H1 TIP3 922 59.603 31.524 60.727 1.00 0.00 WT1 H ATOM 5793 H2 TIP3 922 60.674 32.591 60.644 1.00 0.00 WT1 H ATOM 5794 OH2 TIP3 923 85.120 78.912 62.178 1.00 0.00 WT1 O ATOM 5795 H1 TIP3 923 84.880 79.695 61.683 1.00 0.00 WT1 H ATOM 5796 H2 TIP3 923 84.293 78.593 62.539 1.00 0.00 WT1 H ATOM 5797 OH2 TIP3 924 88.348 58.237 7.544 1.00 0.00 WT1 O ATOM 5798 H1 TIP3 924 88.073 59.094 7.218 1.00 0.00 WT1 H ATOM 5799 H2 TIP3 924 89.108 58.008 7.008 1.00 0.00 WT1 H ATOM 5800 OH2 TIP3 925 35.802 91.447 63.168 1.00 0.00 WT1 O ATOM 5801 H1 TIP3 925 35.719 92.209 62.594 1.00 0.00 WT1 H ATOM 5802 H2 TIP3 925 34.982 90.967 63.051 1.00 0.00 WT1 H ATOM 5803 OH2 TIP3 926 26.079 68.016 57.157 1.00 0.00 WT1 O ATOM 5804 H1 TIP3 926 26.454 67.747 56.318 1.00 0.00 WT1 H ATOM 5805 H2 TIP3 926 25.133 67.933 57.034 1.00 0.00 WT1 H ATOM 5806 OH2 TIP3 927 67.856 1.991 11.246 1.00 0.00 WT1 O ATOM 5807 H1 TIP3 927 67.976 2.776 10.712 1.00 0.00 WT1 H ATOM 5808 H2 TIP3 927 68.508 1.373 10.916 1.00 0.00 WT1 H ATOM 5809 OH2 TIP3 928 38.408 36.003 27.070 1.00 0.00 WT1 O ATOM 5810 H1 TIP3 928 39.157 36.114 27.655 1.00 0.00 WT1 H ATOM 5811 H2 TIP3 928 38.728 35.425 26.378 1.00 0.00 WT1 H ATOM 5812 OH2 TIP3 929 25.660 45.603 3.746 1.00 0.00 WT1 O ATOM 5813 H1 TIP3 929 26.374 46.233 3.650 1.00 0.00 WT1 H ATOM 5814 H2 TIP3 929 24.948 46.105 4.142 1.00 0.00 WT1 H ATOM 5815 OH2 TIP3 930 21.291 2.685 -12.037 1.00 0.00 WT1 O ATOM 5816 H1 TIP3 930 22.149 2.430 -12.374 1.00 0.00 WT1 H ATOM 5817 H2 TIP3 930 21.051 1.982 -11.434 1.00 0.00 WT1 H ATOM 5818 OH2 TIP3 931 57.650 40.200 -1.692 1.00 0.00 WT1 O ATOM 5819 H1 TIP3 931 56.904 39.919 -2.223 1.00 0.00 WT1 H ATOM 5820 H2 TIP3 931 57.261 40.721 -0.989 1.00 0.00 WT1 H ATOM 5821 OH2 TIP3 932 37.407 26.662 -1.621 1.00 0.00 WT1 O ATOM 5822 H1 TIP3 932 36.980 26.678 -0.764 1.00 0.00 WT1 H ATOM 5823 H2 TIP3 932 38.300 26.370 -1.439 1.00 0.00 WT1 H ATOM 5824 OH2 TIP3 933 37.803 46.270 59.819 1.00 0.00 WT1 O ATOM 5825 H1 TIP3 933 38.236 45.929 59.036 1.00 0.00 WT1 H ATOM 5826 H2 TIP3 933 37.446 45.495 60.252 1.00 0.00 WT1 H ATOM 5827 OH2 TIP3 934 38.680 68.708 18.319 1.00 0.00 WT1 O ATOM 5828 H1 TIP3 934 39.574 68.406 18.479 1.00 0.00 WT1 H ATOM 5829 H2 TIP3 934 38.128 68.089 18.797 1.00 0.00 WT1 H ATOM 5830 OH2 TIP3 935 77.625 80.138 56.895 1.00 0.00 WT1 O ATOM 5831 H1 TIP3 935 78.204 79.882 57.613 1.00 0.00 WT1 H ATOM 5832 H2 TIP3 935 76.891 79.526 56.948 1.00 0.00 WT1 H ATOM 5833 OH2 TIP3 936 56.316 30.045 28.993 1.00 0.00 WT1 O ATOM 5834 H1 TIP3 936 55.361 30.095 28.955 1.00 0.00 WT1 H ATOM 5835 H2 TIP3 936 56.510 29.857 29.912 1.00 0.00 WT1 H ATOM 5836 OH2 TIP3 937 71.890 22.425 48.803 1.00 0.00 WT1 O ATOM 5837 H1 TIP3 937 71.161 21.970 49.226 1.00 0.00 WT1 H ATOM 5838 H2 TIP3 937 71.609 23.339 48.758 1.00 0.00 WT1 H ATOM 5839 OH2 TIP3 938 86.436 27.489 -5.747 1.00 0.00 WT1 O ATOM 5840 H1 TIP3 938 86.567 28.421 -5.922 1.00 0.00 WT1 H ATOM 5841 H2 TIP3 938 86.648 27.387 -4.819 1.00 0.00 WT1 H ATOM 5842 OH2 TIP3 939 24.235 76.061 22.186 1.00 0.00 WT1 O ATOM 5843 H1 TIP3 939 25.188 76.105 22.102 1.00 0.00 WT1 H ATOM 5844 H2 TIP3 939 24.057 75.153 22.429 1.00 0.00 WT1 H ATOM 5845 OH2 TIP3 940 34.795 52.954 18.189 1.00 0.00 WT1 O ATOM 5846 H1 TIP3 940 35.168 52.634 17.368 1.00 0.00 WT1 H ATOM 5847 H2 TIP3 940 35.471 53.524 18.554 1.00 0.00 WT1 H ATOM 5848 OH2 TIP3 941 43.892 25.432 39.682 1.00 0.00 WT1 O ATOM 5849 H1 TIP3 941 44.533 25.746 40.320 1.00 0.00 WT1 H ATOM 5850 H2 TIP3 941 43.692 26.200 39.146 1.00 0.00 WT1 H ATOM 5851 OH2 TIP3 942 51.631 69.530 -16.910 1.00 0.00 WT1 O ATOM 5852 H1 TIP3 942 51.406 68.605 -16.813 1.00 0.00 WT1 H ATOM 5853 H2 TIP3 942 51.047 69.985 -16.303 1.00 0.00 WT1 H ATOM 5854 OH2 TIP3 943 69.653 94.639 43.613 1.00 0.00 WT1 O ATOM 5855 H1 TIP3 943 70.536 94.305 43.454 1.00 0.00 WT1 H ATOM 5856 H2 TIP3 943 69.720 95.580 43.455 1.00 0.00 WT1 H ATOM 5857 OH2 TIP3 944 57.179 15.723 53.049 1.00 0.00 WT1 O ATOM 5858 H1 TIP3 944 57.558 14.919 53.404 1.00 0.00 WT1 H ATOM 5859 H2 TIP3 944 57.477 16.412 53.643 1.00 0.00 WT1 H ATOM 5860 OH2 TIP3 945 38.977 75.433 27.074 1.00 0.00 WT1 O ATOM 5861 H1 TIP3 945 39.748 75.328 26.517 1.00 0.00 WT1 H ATOM 5862 H2 TIP3 945 39.309 75.334 27.966 1.00 0.00 WT1 H ATOM 5863 OH2 TIP3 946 51.865 62.560 58.821 1.00 0.00 WT1 O ATOM 5864 H1 TIP3 946 52.308 62.334 58.003 1.00 0.00 WT1 H ATOM 5865 H2 TIP3 946 51.256 61.837 58.973 1.00 0.00 WT1 H ATOM 5866 OH2 TIP3 947 80.893 73.267 66.390 1.00 0.00 WT1 O ATOM 5867 H1 TIP3 947 80.137 73.645 66.840 1.00 0.00 WT1 H ATOM 5868 H2 TIP3 947 80.619 72.378 66.165 1.00 0.00 WT1 H ATOM 5869 OH2 TIP3 948 67.608 55.045 58.229 1.00 0.00 WT1 O ATOM 5870 H1 TIP3 948 67.263 55.938 58.250 1.00 0.00 WT1 H ATOM 5871 H2 TIP3 948 67.211 54.653 57.451 1.00 0.00 WT1 H ATOM 5872 OH2 TIP3 949 64.595 86.404 -5.022 1.00 0.00 WT1 O ATOM 5873 H1 TIP3 949 65.206 86.323 -4.290 1.00 0.00 WT1 H ATOM 5874 H2 TIP3 949 64.796 85.657 -5.586 1.00 0.00 WT1 H ATOM 5875 OH2 TIP3 950 32.711 70.713 18.504 1.00 0.00 WT1 O ATOM 5876 H1 TIP3 950 33.596 70.418 18.721 1.00 0.00 WT1 H ATOM 5877 H2 TIP3 950 32.135 70.068 18.914 1.00 0.00 WT1 H ATOM 5878 OH2 TIP3 951 78.522 47.924 -10.220 1.00 0.00 WT1 O ATOM 5879 H1 TIP3 951 78.118 47.716 -9.377 1.00 0.00 WT1 H ATOM 5880 H2 TIP3 951 79.156 47.221 -10.362 1.00 0.00 WT1 H ATOM 5881 OH2 TIP3 952 36.991 5.478 5.757 1.00 0.00 WT1 O ATOM 5882 H1 TIP3 952 36.481 4.672 5.678 1.00 0.00 WT1 H ATOM 5883 H2 TIP3 952 37.818 5.202 6.149 1.00 0.00 WT1 H ATOM 5884 OH2 TIP3 953 44.514 38.839 30.091 1.00 0.00 WT1 O ATOM 5885 H1 TIP3 953 45.392 38.523 30.304 1.00 0.00 WT1 H ATOM 5886 H2 TIP3 953 44.080 38.086 29.689 1.00 0.00 WT1 H ATOM 5887 OH2 TIP3 954 48.945 46.775 -13.336 1.00 0.00 WT1 O ATOM 5888 H1 TIP3 954 48.688 46.101 -12.707 1.00 0.00 WT1 H ATOM 5889 H2 TIP3 954 48.460 47.555 -13.064 1.00 0.00 WT1 H ATOM 5890 OH2 TIP3 955 67.343 55.409 48.187 1.00 0.00 WT1 O ATOM 5891 H1 TIP3 955 66.397 55.474 48.321 1.00 0.00 WT1 H ATOM 5892 H2 TIP3 955 67.669 54.990 48.984 1.00 0.00 WT1 H ATOM 5893 OH2 TIP3 956 39.726 12.355 40.695 1.00 0.00 WT1 O ATOM 5894 H1 TIP3 956 40.373 12.035 40.068 1.00 0.00 WT1 H ATOM 5895 H2 TIP3 956 39.351 13.131 40.279 1.00 0.00 WT1 H ATOM 5896 OH2 TIP3 957 53.970 2.314 46.755 1.00 0.00 WT1 O ATOM 5897 H1 TIP3 957 54.693 1.859 46.322 1.00 0.00 WT1 H ATOM 5898 H2 TIP3 957 54.295 3.204 46.893 1.00 0.00 WT1 H ATOM 5899 OH2 TIP3 958 55.610 7.920 3.189 1.00 0.00 WT1 O ATOM 5900 H1 TIP3 958 56.184 8.541 3.637 1.00 0.00 WT1 H ATOM 5901 H2 TIP3 958 55.507 7.199 3.811 1.00 0.00 WT1 H ATOM 5902 OH2 TIP3 959 59.113 19.195 14.040 1.00 0.00 WT1 O ATOM 5903 H1 TIP3 959 58.811 19.896 13.464 1.00 0.00 WT1 H ATOM 5904 H2 TIP3 959 58.757 18.395 13.653 1.00 0.00 WT1 H ATOM 5905 OH2 TIP3 960 70.942 69.912 -19.741 1.00 0.00 WT1 O ATOM 5906 H1 TIP3 960 70.871 68.999 -20.021 1.00 0.00 WT1 H ATOM 5907 H2 TIP3 960 71.147 69.860 -18.807 1.00 0.00 WT1 H ATOM 5908 OH2 TIP3 961 25.309 15.708 36.023 1.00 0.00 WT1 O ATOM 5909 H1 TIP3 961 25.674 15.909 36.885 1.00 0.00 WT1 H ATOM 5910 H2 TIP3 961 24.980 16.547 35.701 1.00 0.00 WT1 H ATOM 5911 OH2 TIP3 962 64.864 80.009 26.160 1.00 0.00 WT1 O ATOM 5912 H1 TIP3 962 65.729 79.875 26.547 1.00 0.00 WT1 H ATOM 5913 H2 TIP3 962 64.952 80.815 25.651 1.00 0.00 WT1 H ATOM 5914 OH2 TIP3 963 49.850 85.023 -12.890 1.00 0.00 WT1 O ATOM 5915 H1 TIP3 963 49.726 85.970 -12.947 1.00 0.00 WT1 H ATOM 5916 H2 TIP3 963 49.318 84.756 -12.140 1.00 0.00 WT1 H ATOM 5917 OH2 TIP3 964 49.664 91.570 57.228 1.00 0.00 WT1 O ATOM 5918 H1 TIP3 964 48.831 91.946 57.511 1.00 0.00 WT1 H ATOM 5919 H2 TIP3 964 49.580 90.634 57.409 1.00 0.00 WT1 H ATOM 5920 OH2 TIP3 965 32.024 0.614 28.954 1.00 0.00 WT1 O ATOM 5921 H1 TIP3 965 32.147 1.520 29.237 1.00 0.00 WT1 H ATOM 5922 H2 TIP3 965 31.732 0.684 28.045 1.00 0.00 WT1 H ATOM 5923 OH2 TIP3 966 70.324 66.670 27.019 1.00 0.00 WT1 O ATOM 5924 H1 TIP3 966 69.595 67.243 26.781 1.00 0.00 WT1 H ATOM 5925 H2 TIP3 966 70.340 66.004 26.332 1.00 0.00 WT1 H ATOM 5926 OH2 TIP3 967 50.804 22.055 53.592 1.00 0.00 WT1 O ATOM 5927 H1 TIP3 967 50.788 21.276 53.036 1.00 0.00 WT1 H ATOM 5928 H2 TIP3 967 50.592 22.777 53.001 1.00 0.00 WT1 H ATOM 5929 OH2 TIP3 968 84.641 42.434 11.350 1.00 0.00 WT1 O ATOM 5930 H1 TIP3 968 85.499 42.012 11.349 1.00 0.00 WT1 H ATOM 5931 H2 TIP3 968 84.142 41.964 12.018 1.00 0.00 WT1 H ATOM 5932 OH2 TIP3 969 28.130 32.675 -16.417 1.00 0.00 WT1 O ATOM 5933 H1 TIP3 969 28.616 33.072 -17.139 1.00 0.00 WT1 H ATOM 5934 H2 TIP3 969 28.749 32.064 -16.017 1.00 0.00 WT1 H ATOM 5935 OH2 TIP3 970 34.288 16.802 18.610 1.00 0.00 WT1 O ATOM 5936 H1 TIP3 970 34.880 17.104 17.921 1.00 0.00 WT1 H ATOM 5937 H2 TIP3 970 33.503 17.339 18.504 1.00 0.00 WT1 H ATOM 5938 OH2 TIP3 971 87.076 30.006 39.834 1.00 0.00 WT1 O ATOM 5939 H1 TIP3 971 86.383 29.436 39.499 1.00 0.00 WT1 H ATOM 5940 H2 TIP3 971 86.630 30.589 40.449 1.00 0.00 WT1 H ATOM 5941 OH2 TIP3 972 36.474 32.320 10.610 1.00 0.00 WT1 O ATOM 5942 H1 TIP3 972 36.574 33.261 10.758 1.00 0.00 WT1 H ATOM 5943 H2 TIP3 972 36.821 31.914 11.404 1.00 0.00 WT1 H ATOM 5944 OH2 TIP3 973 35.553 50.588 13.018 1.00 0.00 WT1 O ATOM 5945 H1 TIP3 973 35.584 50.820 13.946 1.00 0.00 WT1 H ATOM 5946 H2 TIP3 973 36.213 51.147 12.608 1.00 0.00 WT1 H ATOM 5947 OH2 TIP3 974 71.629 21.876 -5.802 1.00 0.00 WT1 O ATOM 5948 H1 TIP3 974 71.316 22.660 -6.253 1.00 0.00 WT1 H ATOM 5949 H2 TIP3 974 71.390 22.014 -4.886 1.00 0.00 WT1 H ATOM 5950 OH2 TIP3 975 67.273 94.324 15.777 1.00 0.00 WT1 O ATOM 5951 H1 TIP3 975 67.203 94.726 16.643 1.00 0.00 WT1 H ATOM 5952 H2 TIP3 975 66.375 94.081 15.552 1.00 0.00 WT1 H ATOM 5953 OH2 TIP3 976 68.183 56.281 63.600 1.00 0.00 WT1 O ATOM 5954 H1 TIP3 976 67.964 57.055 63.081 1.00 0.00 WT1 H ATOM 5955 H2 TIP3 976 68.181 55.561 62.969 1.00 0.00 WT1 H ATOM 5956 OH2 TIP3 977 39.077 16.651 37.318 1.00 0.00 WT1 O ATOM 5957 H1 TIP3 977 39.822 17.246 37.408 1.00 0.00 WT1 H ATOM 5958 H2 TIP3 977 39.416 15.917 36.807 1.00 0.00 WT1 H ATOM 5959 OH2 TIP3 978 35.020 90.366 32.226 1.00 0.00 WT1 O ATOM 5960 H1 TIP3 978 34.249 89.799 32.245 1.00 0.00 WT1 H ATOM 5961 H2 TIP3 978 35.674 89.900 32.746 1.00 0.00 WT1 H ATOM 5962 OH2 TIP3 979 27.662 38.222 11.323 1.00 0.00 WT1 O ATOM 5963 H1 TIP3 979 27.666 38.784 12.098 1.00 0.00 WT1 H ATOM 5964 H2 TIP3 979 28.446 37.681 11.416 1.00 0.00 WT1 H ATOM 5965 OH2 TIP3 980 44.659 25.182 61.344 1.00 0.00 WT1 O ATOM 5966 H1 TIP3 980 43.804 25.613 61.331 1.00 0.00 WT1 H ATOM 5967 H2 TIP3 980 45.265 25.842 61.008 1.00 0.00 WT1 H ATOM 5968 OH2 TIP3 982 62.126 92.686 66.886 1.00 0.00 WT1 O ATOM 5969 H1 TIP3 982 61.223 92.986 66.787 1.00 0.00 WT1 H ATOM 5970 H2 TIP3 982 62.315 92.221 66.071 1.00 0.00 WT1 H ATOM 5971 OH2 TIP3 983 39.686 89.806 48.128 1.00 0.00 WT1 O ATOM 5972 H1 TIP3 983 40.410 90.324 47.775 1.00 0.00 WT1 H ATOM 5973 H2 TIP3 983 39.339 90.336 48.845 1.00 0.00 WT1 H ATOM 5974 OH2 TIP3 984 23.402 64.092 1.055 1.00 0.00 WT1 O ATOM 5975 H1 TIP3 984 24.358 64.069 1.020 1.00 0.00 WT1 H ATOM 5976 H2 TIP3 984 23.124 63.328 0.551 1.00 0.00 WT1 H ATOM 5977 OH2 TIP3 985 88.244 21.642 40.690 1.00 0.00 WT1 O ATOM 5978 H1 TIP3 985 87.891 22.474 41.004 1.00 0.00 WT1 H ATOM 5979 H2 TIP3 985 88.980 21.890 40.129 1.00 0.00 WT1 H ATOM 5980 OH2 TIP3 986 66.989 59.760 32.704 1.00 0.00 WT1 O ATOM 5981 H1 TIP3 986 66.468 60.466 32.323 1.00 0.00 WT1 H ATOM 5982 H2 TIP3 986 66.654 59.669 33.596 1.00 0.00 WT1 H ATOM 5983 OH2 TIP3 988 65.254 46.708 53.290 1.00 0.00 WT1 O ATOM 5984 H1 TIP3 988 65.179 47.643 53.102 1.00 0.00 WT1 H ATOM 5985 H2 TIP3 988 64.549 46.304 52.785 1.00 0.00 WT1 H ATOM 5986 OH2 TIP3 989 88.508 9.049 9.890 1.00 0.00 WT1 O ATOM 5987 H1 TIP3 989 89.312 8.530 9.917 1.00 0.00 WT1 H ATOM 5988 H2 TIP3 989 87.829 8.458 10.215 1.00 0.00 WT1 H ATOM 5989 OH2 TIP3 990 60.830 22.708 61.031 1.00 0.00 WT1 O ATOM 5990 H1 TIP3 990 60.155 22.959 60.400 1.00 0.00 WT1 H ATOM 5991 H2 TIP3 990 61.468 23.421 60.996 1.00 0.00 WT1 H ATOM 5992 OH2 TIP3 991 45.943 85.259 33.355 1.00 0.00 WT1 O ATOM 5993 H1 TIP3 991 45.491 85.466 32.537 1.00 0.00 WT1 H ATOM 5994 H2 TIP3 991 45.652 84.374 33.572 1.00 0.00 WT1 H ATOM 5995 OH2 TIP3 992 37.769 13.037 -12.862 1.00 0.00 WT1 O ATOM 5996 H1 TIP3 992 37.229 13.501 -12.223 1.00 0.00 WT1 H ATOM 5997 H2 TIP3 992 37.530 13.425 -13.704 1.00 0.00 WT1 H ATOM 5998 OH2 TIP3 994 25.534 53.312 8.489 1.00 0.00 WT1 O ATOM 5999 H1 TIP3 994 25.775 54.006 9.104 1.00 0.00 WT1 H ATOM 6000 H2 TIP3 994 26.293 53.230 7.911 1.00 0.00 WT1 H ATOM 6001 OH2 TIP3 995 73.427 17.897 46.079 1.00 0.00 WT1 O ATOM 6002 H1 TIP3 995 74.100 17.464 45.553 1.00 0.00 WT1 H ATOM 6003 H2 TIP3 995 73.800 17.940 46.959 1.00 0.00 WT1 H ATOM 6004 OH2 TIP3 996 52.829 37.174 -18.821 1.00 0.00 WT1 O ATOM 6005 H1 TIP3 996 52.489 38.030 -18.562 1.00 0.00 WT1 H ATOM 6006 H2 TIP3 996 52.199 36.547 -18.466 1.00 0.00 WT1 H ATOM 6007 OH2 TIP3 997 52.041 79.569 -11.216 1.00 0.00 WT1 O ATOM 6008 H1 TIP3 997 52.336 78.706 -10.926 1.00 0.00 WT1 H ATOM 6009 H2 TIP3 997 51.227 79.397 -11.691 1.00 0.00 WT1 H ATOM 6010 OH2 TIP3 999 50.237 95.517 11.458 1.00 0.00 WT1 O ATOM 6011 H1 TIP3 999 49.564 95.693 10.800 1.00 0.00 WT1 H ATOM 6012 H2 TIP3 999 50.188 96.262 12.057 1.00 0.00 WT1 H ATOM 6013 OH2 TIP3 1000 83.376 27.398 -4.862 1.00 0.00 WT1 O ATOM 6014 H1 TIP3 1000 83.167 26.891 -4.077 1.00 0.00 WT1 H ATOM 6015 H2 TIP3 1000 84.272 27.141 -5.082 1.00 0.00 WT1 H ATOM 6016 OH2 TIP3 1001 35.074 33.884 -16.277 1.00 0.00 WT1 O ATOM 6017 H1 TIP3 1001 35.872 33.637 -15.811 1.00 0.00 WT1 H ATOM 6018 H2 TIP3 1001 35.371 34.484 -16.961 1.00 0.00 WT1 H ATOM 6019 OH2 TIP3 1002 88.921 47.129 33.007 1.00 0.00 WT1 O ATOM 6020 H1 TIP3 1002 88.508 47.185 32.145 1.00 0.00 WT1 H ATOM 6021 H2 TIP3 1002 88.201 46.932 33.605 1.00 0.00 WT1 H ATOM 6022 OH2 TIP3 1003 79.870 38.295 29.478 1.00 0.00 WT1 O ATOM 6023 H1 TIP3 1003 79.627 38.309 30.404 1.00 0.00 WT1 H ATOM 6024 H2 TIP3 1003 79.694 39.184 29.170 1.00 0.00 WT1 H ATOM 6025 OH2 TIP3 1004 46.143 19.627 21.125 1.00 0.00 WT1 O ATOM 6026 H1 TIP3 1004 45.628 19.338 21.878 1.00 0.00 WT1 H ATOM 6027 H2 TIP3 1004 46.974 19.918 21.499 1.00 0.00 WT1 H ATOM 6028 OH2 TIP3 1005 37.387 39.436 11.707 1.00 0.00 WT1 O ATOM 6029 H1 TIP3 1005 37.536 40.355 11.486 1.00 0.00 WT1 H ATOM 6030 H2 TIP3 1005 37.735 39.342 12.593 1.00 0.00 WT1 H ATOM 6031 OH2 TIP3 1006 33.561 78.105 64.688 1.00 0.00 WT1 O ATOM 6032 H1 TIP3 1006 34.460 77.881 64.926 1.00 0.00 WT1 H ATOM 6033 H2 TIP3 1006 33.262 77.366 64.158 1.00 0.00 WT1 H ATOM 6034 OH2 TIP3 1007 81.426 45.075 -6.839 1.00 0.00 WT1 O ATOM 6035 H1 TIP3 1007 81.731 45.943 -7.106 1.00 0.00 WT1 H ATOM 6036 H2 TIP3 1007 80.729 44.864 -7.460 1.00 0.00 WT1 H ATOM 6037 OH2 TIP3 1008 77.374 11.784 45.546 1.00 0.00 WT1 O ATOM 6038 H1 TIP3 1008 77.731 10.983 45.930 1.00 0.00 WT1 H ATOM 6039 H2 TIP3 1008 77.797 11.849 44.690 1.00 0.00 WT1 H ATOM 6040 OH2 TIP3 1009 84.752 88.361 52.622 1.00 0.00 WT1 O ATOM 6041 H1 TIP3 1009 84.873 88.968 51.892 1.00 0.00 WT1 H ATOM 6042 H2 TIP3 1009 84.378 87.576 52.223 1.00 0.00 WT1 H ATOM 6043 OH2 TIP3 1010 23.734 69.241 50.867 1.00 0.00 WT1 O ATOM 6044 H1 TIP3 1010 24.383 69.134 51.562 1.00 0.00 WT1 H ATOM 6045 H2 TIP3 1010 24.021 70.019 50.388 1.00 0.00 WT1 H ATOM 6046 OH2 TIP3 1011 60.949 46.227 -10.828 1.00 0.00 WT1 O ATOM 6047 H1 TIP3 1011 60.344 46.968 -10.853 1.00 0.00 WT1 H ATOM 6048 H2 TIP3 1011 61.361 46.283 -9.966 1.00 0.00 WT1 H ATOM 6049 OH2 TIP3 1012 42.809 83.223 20.402 1.00 0.00 WT1 O ATOM 6050 H1 TIP3 1012 43.176 82.824 21.190 1.00 0.00 WT1 H ATOM 6051 H2 TIP3 1012 42.343 82.510 19.966 1.00 0.00 WT1 H ATOM 6052 OH2 TIP3 1013 57.657 91.386 16.799 1.00 0.00 WT1 O ATOM 6053 H1 TIP3 1013 57.169 92.189 16.982 1.00 0.00 WT1 H ATOM 6054 H2 TIP3 1013 58.204 91.256 17.573 1.00 0.00 WT1 H ATOM 6055 OH2 TIP3 1014 25.362 81.319 16.261 1.00 0.00 WT1 O ATOM 6056 H1 TIP3 1014 24.788 80.617 15.956 1.00 0.00 WT1 H ATOM 6057 H2 TIP3 1014 25.271 81.308 17.214 1.00 0.00 WT1 H ATOM 6058 OH2 TIP3 1015 64.377 27.552 8.808 1.00 0.00 WT1 O ATOM 6059 H1 TIP3 1015 64.834 26.855 9.279 1.00 0.00 WT1 H ATOM 6060 H2 TIP3 1015 63.842 27.093 8.160 1.00 0.00 WT1 H ATOM 6061 OH2 TIP3 1016 21.073 21.209 34.594 1.00 0.00 WT1 O ATOM 6062 H1 TIP3 1016 21.048 20.379 34.116 1.00 0.00 WT1 H ATOM 6063 H2 TIP3 1016 21.972 21.519 34.488 1.00 0.00 WT1 H ATOM 6064 OH2 TIP3 1017 57.852 84.950 38.157 1.00 0.00 WT1 O ATOM 6065 H1 TIP3 1017 58.742 85.079 37.830 1.00 0.00 WT1 H ATOM 6066 H2 TIP3 1017 57.866 84.080 38.556 1.00 0.00 WT1 H ATOM 6067 OH2 TIP3 1018 26.381 61.035 -12.629 1.00 0.00 WT1 O ATOM 6068 H1 TIP3 1018 27.306 61.087 -12.390 1.00 0.00 WT1 H ATOM 6069 H2 TIP3 1018 26.346 61.356 -13.530 1.00 0.00 WT1 H ATOM 6070 OH2 TIP3 1020 25.088 89.773 63.230 1.00 0.00 WT1 O ATOM 6071 H1 TIP3 1020 25.750 90.453 63.354 1.00 0.00 WT1 H ATOM 6072 H2 TIP3 1020 24.925 89.432 64.110 1.00 0.00 WT1 H ATOM 6073 OH2 TIP3 1021 37.150 65.407 12.128 1.00 0.00 WT1 O ATOM 6074 H1 TIP3 1021 37.365 65.322 11.199 1.00 0.00 WT1 H ATOM 6075 H2 TIP3 1021 37.488 64.605 12.527 1.00 0.00 WT1 H ATOM 6076 OH2 TIP3 1022 36.131 70.757 -13.053 1.00 0.00 WT1 O ATOM 6077 H1 TIP3 1022 37.009 70.911 -12.705 1.00 0.00 WT1 H ATOM 6078 H2 TIP3 1022 35.974 69.824 -12.906 1.00 0.00 WT1 H ATOM 6079 OH2 TIP3 1023 76.591 30.933 12.056 1.00 0.00 WT1 O ATOM 6080 H1 TIP3 1023 76.736 30.185 11.476 1.00 0.00 WT1 H ATOM 6081 H2 TIP3 1023 75.844 30.676 12.597 1.00 0.00 WT1 H ATOM 6082 OH2 TIP3 1025 32.600 91.174 51.642 1.00 0.00 WT1 O ATOM 6083 H1 TIP3 1025 32.737 91.464 52.544 1.00 0.00 WT1 H ATOM 6084 H2 TIP3 1025 32.896 90.265 51.633 1.00 0.00 WT1 H ATOM 6085 OH2 TIP3 1026 33.761 89.658 66.470 1.00 0.00 WT1 O ATOM 6086 H1 TIP3 1026 34.214 90.259 67.061 1.00 0.00 WT1 H ATOM 6087 H2 TIP3 1026 34.450 89.316 65.901 1.00 0.00 WT1 H ATOM 6088 OH2 TIP3 1027 82.706 90.715 -8.440 1.00 0.00 WT1 O ATOM 6089 H1 TIP3 1027 81.956 90.221 -8.107 1.00 0.00 WT1 H ATOM 6090 H2 TIP3 1027 82.370 91.166 -9.215 1.00 0.00 WT1 H ATOM 6091 OH2 TIP3 1028 25.841 45.765 14.489 1.00 0.00 WT1 O ATOM 6092 H1 TIP3 1028 25.787 45.718 15.444 1.00 0.00 WT1 H ATOM 6093 H2 TIP3 1028 26.556 46.377 14.318 1.00 0.00 WT1 H ATOM 6094 OH2 TIP3 1029 30.294 33.921 61.690 1.00 0.00 WT1 O ATOM 6095 H1 TIP3 1029 30.321 33.353 60.920 1.00 0.00 WT1 H ATOM 6096 H2 TIP3 1029 30.436 33.329 62.429 1.00 0.00 WT1 H ATOM 6097 OH2 TIP3 1030 42.562 6.245 -2.201 1.00 0.00 WT1 O ATOM 6098 H1 TIP3 1030 43.330 6.048 -2.738 1.00 0.00 WT1 H ATOM 6099 H2 TIP3 1030 41.829 6.229 -2.815 1.00 0.00 WT1 H ATOM 6100 OH2 TIP3 1031 65.988 31.418 29.794 1.00 0.00 WT1 O ATOM 6101 H1 TIP3 1031 66.438 32.165 29.399 1.00 0.00 WT1 H ATOM 6102 H2 TIP3 1031 66.031 31.583 30.736 1.00 0.00 WT1 H ATOM 6103 OH2 TIP3 1032 38.669 94.249 22.402 1.00 0.00 WT1 O ATOM 6104 H1 TIP3 1032 38.402 94.078 23.305 1.00 0.00 WT1 H ATOM 6105 H2 TIP3 1032 38.071 94.933 22.100 1.00 0.00 WT1 H ATOM 6106 OH2 TIP3 1033 56.438 86.302 -14.580 1.00 0.00 WT1 O ATOM 6107 H1 TIP3 1033 56.543 86.034 -13.667 1.00 0.00 WT1 H ATOM 6108 H2 TIP3 1033 57.136 85.842 -15.046 1.00 0.00 WT1 H ATOM 6109 OH2 TIP3 1034 27.443 43.846 45.942 1.00 0.00 WT1 O ATOM 6110 H1 TIP3 1034 27.873 44.391 45.284 1.00 0.00 WT1 H ATOM 6111 H2 TIP3 1034 27.278 44.439 46.674 1.00 0.00 WT1 H ATOM 6112 OH2 TIP3 1035 40.465 32.377 30.020 1.00 0.00 WT1 O ATOM 6113 H1 TIP3 1035 39.652 32.597 29.565 1.00 0.00 WT1 H ATOM 6114 H2 TIP3 1035 41.077 33.069 29.766 1.00 0.00 WT1 H ATOM 6115 OH2 TIP3 1036 77.584 55.507 19.285 1.00 0.00 WT1 O ATOM 6116 H1 TIP3 1036 77.386 55.126 20.140 1.00 0.00 WT1 H ATOM 6117 H2 TIP3 1036 78.335 56.079 19.444 1.00 0.00 WT1 H ATOM 6118 OH2 TIP3 1037 62.431 51.375 63.026 1.00 0.00 WT1 O ATOM 6119 H1 TIP3 1037 63.227 50.886 63.237 1.00 0.00 WT1 H ATOM 6120 H2 TIP3 1037 62.453 52.133 63.610 1.00 0.00 WT1 H ATOM 6121 OH2 TIP3 1038 35.863 53.792 44.448 1.00 0.00 WT1 O ATOM 6122 H1 TIP3 1038 36.739 54.041 44.151 1.00 0.00 WT1 H ATOM 6123 H2 TIP3 1038 35.646 54.437 45.121 1.00 0.00 WT1 H ATOM 6124 OH2 TIP3 1039 44.550 46.194 46.794 1.00 0.00 WT1 O ATOM 6125 H1 TIP3 1039 44.822 45.489 46.207 1.00 0.00 WT1 H ATOM 6126 H2 TIP3 1039 44.503 46.968 46.233 1.00 0.00 WT1 H ATOM 6127 OH2 TIP3 1040 58.213 9.264 8.936 1.00 0.00 WT1 O ATOM 6128 H1 TIP3 1040 57.949 8.350 8.826 1.00 0.00 WT1 H ATOM 6129 H2 TIP3 1040 57.392 9.736 9.074 1.00 0.00 WT1 H ATOM 6130 OH2 TIP3 1041 56.796 31.778 16.401 1.00 0.00 WT1 O ATOM 6131 H1 TIP3 1041 56.538 31.921 15.491 1.00 0.00 WT1 H ATOM 6132 H2 TIP3 1041 55.977 31.584 16.856 1.00 0.00 WT1 H ATOM 6133 OH2 TIP3 1042 70.721 35.073 33.413 1.00 0.00 WT1 O ATOM 6134 H1 TIP3 1042 69.919 35.583 33.297 1.00 0.00 WT1 H ATOM 6135 H2 TIP3 1042 71.413 35.730 33.496 1.00 0.00 WT1 H ATOM 6136 OH2 TIP3 1043 32.966 66.673 37.206 1.00 0.00 WT1 O ATOM 6137 H1 TIP3 1043 32.586 66.626 36.329 1.00 0.00 WT1 H ATOM 6138 H2 TIP3 1043 33.806 67.114 37.080 1.00 0.00 WT1 H ATOM 6139 OH2 TIP3 1044 30.717 88.311 31.814 1.00 0.00 WT1 O ATOM 6140 H1 TIP3 1044 30.897 88.417 30.880 1.00 0.00 WT1 H ATOM 6141 H2 TIP3 1044 30.001 88.920 31.991 1.00 0.00 WT1 H ATOM 6142 OH2 TIP3 1045 89.176 78.165 25.179 1.00 0.00 WT1 O ATOM 6143 H1 TIP3 1045 89.467 79.040 24.922 1.00 0.00 WT1 H ATOM 6144 H2 TIP3 1045 89.621 77.575 24.571 1.00 0.00 WT1 H ATOM 6145 OH2 TIP3 1046 41.252 19.025 44.639 1.00 0.00 WT1 O ATOM 6146 H1 TIP3 1046 41.686 18.635 43.880 1.00 0.00 WT1 H ATOM 6147 H2 TIP3 1046 40.861 19.832 44.304 1.00 0.00 WT1 H ATOM 6148 OH2 TIP3 1047 89.555 53.647 43.925 1.00 0.00 WT1 O ATOM 6149 H1 TIP3 1047 90.458 53.630 44.240 1.00 0.00 WT1 H ATOM 6150 H2 TIP3 1047 89.070 53.119 44.559 1.00 0.00 WT1 H ATOM 6151 OH2 TIP3 1048 89.293 54.927 20.579 1.00 0.00 WT1 O ATOM 6152 H1 TIP3 1048 89.919 54.402 20.080 1.00 0.00 WT1 H ATOM 6153 H2 TIP3 1048 88.436 54.628 20.277 1.00 0.00 WT1 H ATOM 6154 OH2 TIP3 1049 77.337 81.174 33.905 1.00 0.00 WT1 O ATOM 6155 H1 TIP3 1049 76.380 81.199 33.902 1.00 0.00 WT1 H ATOM 6156 H2 TIP3 1049 77.588 81.529 33.052 1.00 0.00 WT1 H ATOM 6157 OH2 TIP3 1050 74.032 45.811 11.141 1.00 0.00 WT1 O ATOM 6158 H1 TIP3 1050 74.879 45.598 11.532 1.00 0.00 WT1 H ATOM 6159 H2 TIP3 1050 73.563 46.285 11.827 1.00 0.00 WT1 H ATOM 6160 OH2 TIP3 1051 87.783 54.926 4.105 1.00 0.00 WT1 O ATOM 6161 H1 TIP3 1051 87.449 55.444 3.372 1.00 0.00 WT1 H ATOM 6162 H2 TIP3 1051 87.000 54.556 4.513 1.00 0.00 WT1 H ATOM 6163 OH2 TIP3 1052 24.634 51.974 -16.272 1.00 0.00 WT1 O ATOM 6164 H1 TIP3 1052 24.317 51.728 -15.403 1.00 0.00 WT1 H ATOM 6165 H2 TIP3 1052 23.947 52.539 -16.626 1.00 0.00 WT1 H ATOM 6166 OH2 TIP3 1053 20.432 20.649 7.229 1.00 0.00 WT1 O ATOM 6167 H1 TIP3 1053 20.338 20.651 8.182 1.00 0.00 WT1 H ATOM 6168 H2 TIP3 1053 21.358 20.460 7.080 1.00 0.00 WT1 H ATOM 6169 OH2 TIP3 1054 88.084 71.721 -13.892 1.00 0.00 WT1 O ATOM 6170 H1 TIP3 1054 88.799 72.291 -13.607 1.00 0.00 WT1 H ATOM 6171 H2 TIP3 1054 88.120 70.974 -13.294 1.00 0.00 WT1 H ATOM 6172 OH2 TIP3 1055 57.057 59.006 -13.421 1.00 0.00 WT1 O ATOM 6173 H1 TIP3 1055 57.350 59.078 -12.512 1.00 0.00 WT1 H ATOM 6174 H2 TIP3 1055 57.652 58.367 -13.814 1.00 0.00 WT1 H ATOM 6175 OH2 TIP3 1056 55.265 34.898 15.487 1.00 0.00 WT1 O ATOM 6176 H1 TIP3 1056 54.900 34.073 15.809 1.00 0.00 WT1 H ATOM 6177 H2 TIP3 1056 55.511 35.376 16.279 1.00 0.00 WT1 H ATOM 6178 OH2 TIP3 1057 71.737 42.871 6.214 1.00 0.00 WT1 O ATOM 6179 H1 TIP3 1057 71.502 42.528 7.076 1.00 0.00 WT1 H ATOM 6180 H2 TIP3 1057 70.907 43.159 5.835 1.00 0.00 WT1 H ATOM 6181 OH2 TIP3 1058 86.474 29.387 63.156 1.00 0.00 WT1 O ATOM 6182 H1 TIP3 1058 86.490 28.720 63.842 1.00 0.00 WT1 H ATOM 6183 H2 TIP3 1058 86.607 28.898 62.344 1.00 0.00 WT1 H ATOM 6184 OH2 TIP3 1059 33.802 33.472 10.745 1.00 0.00 WT1 O ATOM 6185 H1 TIP3 1059 34.016 34.396 10.612 1.00 0.00 WT1 H ATOM 6186 H2 TIP3 1059 34.644 33.021 10.690 1.00 0.00 WT1 H ATOM 6187 OH2 TIP3 1060 20.679 61.729 38.752 1.00 0.00 WT1 O ATOM 6188 H1 TIP3 1060 20.519 62.483 38.184 1.00 0.00 WT1 H ATOM 6189 H2 TIP3 1060 21.062 62.103 39.545 1.00 0.00 WT1 H ATOM 6190 OH2 TIP3 1061 30.721 5.614 25.199 1.00 0.00 WT1 O ATOM 6191 H1 TIP3 1061 30.163 6.132 25.780 1.00 0.00 WT1 H ATOM 6192 H2 TIP3 1061 30.122 4.997 24.779 1.00 0.00 WT1 H ATOM 6193 OH2 TIP3 1062 28.763 18.007 58.430 1.00 0.00 WT1 O ATOM 6194 H1 TIP3 1062 29.169 17.547 59.165 1.00 0.00 WT1 H ATOM 6195 H2 TIP3 1062 28.607 17.325 57.777 1.00 0.00 WT1 H ATOM 6196 OH2 TIP3 1063 56.914 59.067 64.622 1.00 0.00 WT1 O ATOM 6197 H1 TIP3 1063 57.286 58.193 64.507 1.00 0.00 WT1 H ATOM 6198 H2 TIP3 1063 56.183 58.939 65.226 1.00 0.00 WT1 H ATOM 6199 OH2 TIP3 1064 28.562 49.207 36.669 1.00 0.00 WT1 O ATOM 6200 H1 TIP3 1064 29.369 49.225 36.155 1.00 0.00 WT1 H ATOM 6201 H2 TIP3 1064 28.204 48.332 36.522 1.00 0.00 WT1 H ATOM 6202 OH2 TIP3 1065 26.756 56.635 33.360 1.00 0.00 WT1 O ATOM 6203 H1 TIP3 1065 27.419 56.116 32.905 1.00 0.00 WT1 H ATOM 6204 H2 TIP3 1065 26.877 57.525 33.028 1.00 0.00 WT1 H ATOM 6205 OH2 TIP3 1066 34.195 58.045 0.212 1.00 0.00 WT1 O ATOM 6206 H1 TIP3 1066 34.562 58.861 0.552 1.00 0.00 WT1 H ATOM 6207 H2 TIP3 1066 34.933 57.607 -0.211 1.00 0.00 WT1 H ATOM 6208 OH2 TIP3 1067 55.528 26.348 4.718 1.00 0.00 WT1 O ATOM 6209 H1 TIP3 1067 56.199 27.016 4.857 1.00 0.00 WT1 H ATOM 6210 H2 TIP3 1067 54.738 26.842 4.500 1.00 0.00 WT1 H ATOM 6211 OH2 TIP3 1068 82.894 26.525 59.439 1.00 0.00 WT1 O ATOM 6212 H1 TIP3 1068 82.590 27.417 59.266 1.00 0.00 WT1 H ATOM 6213 H2 TIP3 1068 82.093 26.025 59.593 1.00 0.00 WT1 H ATOM 6214 OH2 TIP3 1069 41.354 49.495 46.319 1.00 0.00 WT1 O ATOM 6215 H1 TIP3 1069 42.267 49.214 46.267 1.00 0.00 WT1 H ATOM 6216 H2 TIP3 1069 41.336 50.118 47.046 1.00 0.00 WT1 H ATOM 6217 OH2 TIP3 1070 60.060 96.490 -2.394 1.00 0.00 WT1 O ATOM 6218 H1 TIP3 1070 60.400 96.457 -1.500 1.00 0.00 WT1 H ATOM 6219 H2 TIP3 1070 59.237 96.003 -2.356 1.00 0.00 WT1 H ATOM 6220 OH2 TIP3 1071 49.311 9.823 -18.188 1.00 0.00 WT1 O ATOM 6221 H1 TIP3 1071 50.215 10.136 -18.236 1.00 0.00 WT1 H ATOM 6222 H2 TIP3 1071 48.779 10.608 -18.319 1.00 0.00 WT1 H ATOM 6223 OH2 TIP3 1072 40.004 13.238 -3.911 1.00 0.00 WT1 O ATOM 6224 H1 TIP3 1072 39.172 12.794 -4.071 1.00 0.00 WT1 H ATOM 6225 H2 TIP3 1072 39.761 14.050 -3.466 1.00 0.00 WT1 H ATOM 6226 OH2 TIP3 1073 38.202 31.255 55.162 1.00 0.00 WT1 O ATOM 6227 H1 TIP3 1073 38.368 31.133 54.227 1.00 0.00 WT1 H ATOM 6228 H2 TIP3 1073 37.727 30.467 55.426 1.00 0.00 WT1 H ATOM 6229 OH2 TIP3 1074 77.097 31.011 65.471 1.00 0.00 WT1 O ATOM 6230 H1 TIP3 1074 77.813 31.617 65.285 1.00 0.00 WT1 H ATOM 6231 H2 TIP3 1074 76.348 31.370 64.995 1.00 0.00 WT1 H ATOM 6232 OH2 TIP3 1076 25.949 63.720 4.063 1.00 0.00 WT1 O ATOM 6233 H1 TIP3 1076 26.642 63.191 3.668 1.00 0.00 WT1 H ATOM 6234 H2 TIP3 1076 26.162 64.619 3.815 1.00 0.00 WT1 H ATOM 6235 OH2 TIP3 1077 72.937 14.681 -18.437 1.00 0.00 WT1 O ATOM 6236 H1 TIP3 1077 73.417 15.020 -19.193 1.00 0.00 WT1 H ATOM 6237 H2 TIP3 1077 72.950 15.399 -17.803 1.00 0.00 WT1 H ATOM 6238 OH2 TIP3 1078 47.368 70.248 -2.222 1.00 0.00 WT1 O ATOM 6239 H1 TIP3 1078 47.932 70.992 -2.009 1.00 0.00 WT1 H ATOM 6240 H2 TIP3 1078 46.947 70.021 -1.393 1.00 0.00 WT1 H ATOM 6241 OH2 TIP3 1080 49.511 56.552 9.187 1.00 0.00 WT1 O ATOM 6242 H1 TIP3 1080 50.240 56.641 9.801 1.00 0.00 WT1 H ATOM 6243 H2 TIP3 1080 49.679 57.214 8.517 1.00 0.00 WT1 H ATOM 6244 OH2 TIP3 1081 71.888 58.701 -3.901 1.00 0.00 WT1 O ATOM 6245 H1 TIP3 1081 71.852 58.972 -2.984 1.00 0.00 WT1 H ATOM 6246 H2 TIP3 1081 71.630 57.779 -3.890 1.00 0.00 WT1 H ATOM 6247 OH2 TIP3 1084 24.718 20.992 13.825 1.00 0.00 WT1 O ATOM 6248 H1 TIP3 1084 24.863 20.153 13.386 1.00 0.00 WT1 H ATOM 6249 H2 TIP3 1084 25.575 21.418 13.816 1.00 0.00 WT1 H ATOM 6250 OH2 TIP3 1085 84.183 41.111 15.153 1.00 0.00 WT1 O ATOM 6251 H1 TIP3 1085 83.774 40.638 15.878 1.00 0.00 WT1 H ATOM 6252 H2 TIP3 1085 84.560 41.892 15.559 1.00 0.00 WT1 H ATOM 6253 OH2 TIP3 1086 31.288 38.011 58.006 1.00 0.00 WT1 O ATOM 6254 H1 TIP3 1086 32.060 37.634 58.428 1.00 0.00 WT1 H ATOM 6255 H2 TIP3 1086 31.615 38.792 57.560 1.00 0.00 WT1 H ATOM 6256 OH2 TIP3 1087 60.473 26.222 44.562 1.00 0.00 WT1 O ATOM 6257 H1 TIP3 1087 60.117 27.096 44.723 1.00 0.00 WT1 H ATOM 6258 H2 TIP3 1087 61.063 26.338 43.817 1.00 0.00 WT1 H ATOM 6259 OH2 TIP3 1088 39.729 23.017 52.012 1.00 0.00 WT1 O ATOM 6260 H1 TIP3 1088 40.373 23.635 51.665 1.00 0.00 WT1 H ATOM 6261 H2 TIP3 1088 40.036 22.160 51.717 1.00 0.00 WT1 H ATOM 6262 OH2 TIP3 1089 74.992 65.851 56.024 1.00 0.00 WT1 O ATOM 6263 H1 TIP3 1089 75.414 65.943 55.170 1.00 0.00 WT1 H ATOM 6264 H2 TIP3 1089 74.056 65.929 55.839 1.00 0.00 WT1 H ATOM 6265 OH2 TIP3 1090 42.665 17.150 52.814 1.00 0.00 WT1 O ATOM 6266 H1 TIP3 1090 43.363 17.597 53.292 1.00 0.00 WT1 H ATOM 6267 H2 TIP3 1090 42.987 17.095 51.914 1.00 0.00 WT1 H ATOM 6268 OH2 TIP3 1091 34.512 43.241 21.064 1.00 0.00 WT1 O ATOM 6269 H1 TIP3 1091 33.580 43.030 21.121 1.00 0.00 WT1 H ATOM 6270 H2 TIP3 1091 34.823 42.751 20.303 1.00 0.00 WT1 H ATOM 6271 OH2 TIP3 1092 82.290 90.628 48.399 1.00 0.00 WT1 O ATOM 6272 H1 TIP3 1092 82.459 90.425 47.479 1.00 0.00 WT1 H ATOM 6273 H2 TIP3 1092 82.734 91.463 48.547 1.00 0.00 WT1 H ATOM 6274 OH2 TIP3 1093 50.237 44.462 12.640 1.00 0.00 WT1 O ATOM 6275 H1 TIP3 1093 50.999 45.034 12.725 1.00 0.00 WT1 H ATOM 6276 H2 TIP3 1093 49.792 44.528 13.485 1.00 0.00 WT1 H ATOM 6277 OH2 TIP3 1094 78.341 13.027 -17.641 1.00 0.00 WT1 O ATOM 6278 H1 TIP3 1094 77.477 13.045 -17.230 1.00 0.00 WT1 H ATOM 6279 H2 TIP3 1094 78.735 12.210 -17.335 1.00 0.00 WT1 H ATOM 6280 OH2 TIP3 1095 22.242 49.178 -4.215 1.00 0.00 WT1 O ATOM 6281 H1 TIP3 1095 22.037 48.564 -3.510 1.00 0.00 WT1 H ATOM 6282 H2 TIP3 1095 21.416 49.631 -4.386 1.00 0.00 WT1 H ATOM 6283 OH2 TIP3 1096 52.779 67.562 45.947 1.00 0.00 WT1 O ATOM 6284 H1 TIP3 1096 51.936 67.348 46.346 1.00 0.00 WT1 H ATOM 6285 H2 TIP3 1096 52.566 68.186 45.254 1.00 0.00 WT1 H ATOM 6286 OH2 TIP3 1097 35.208 36.141 45.131 1.00 0.00 WT1 O ATOM 6287 H1 TIP3 1097 34.413 35.667 44.888 1.00 0.00 WT1 H ATOM 6288 H2 TIP3 1097 35.535 35.681 45.905 1.00 0.00 WT1 H ATOM 6289 OH2 TIP3 1098 75.680 11.817 55.618 1.00 0.00 WT1 O ATOM 6290 H1 TIP3 1098 75.418 10.973 55.986 1.00 0.00 WT1 H ATOM 6291 H2 TIP3 1098 75.251 11.850 54.763 1.00 0.00 WT1 H ATOM 6292 OH2 TIP3 1099 23.267 8.499 1.739 1.00 0.00 WT1 O ATOM 6293 H1 TIP3 1099 22.723 9.208 1.397 1.00 0.00 WT1 H ATOM 6294 H2 TIP3 1099 24.165 8.817 1.643 1.00 0.00 WT1 H ATOM 6295 OH2 TIP3 1100 34.291 6.489 -1.199 1.00 0.00 WT1 O ATOM 6296 H1 TIP3 1100 35.032 5.990 -1.542 1.00 0.00 WT1 H ATOM 6297 H2 TIP3 1100 34.158 6.146 -0.316 1.00 0.00 WT1 H ATOM 6298 OH2 TIP3 1101 58.162 51.165 -18.538 1.00 0.00 WT1 O ATOM 6299 H1 TIP3 1101 58.712 50.852 -17.820 1.00 0.00 WT1 H ATOM 6300 H2 TIP3 1101 57.947 50.377 -19.037 1.00 0.00 WT1 H ATOM 6301 OH2 TIP3 1102 45.084 96.033 -5.890 1.00 0.00 WT1 O ATOM 6302 H1 TIP3 1102 45.611 95.432 -5.363 1.00 0.00 WT1 H ATOM 6303 H2 TIP3 1102 44.190 95.911 -5.572 1.00 0.00 WT1 H ATOM 6304 OH2 TIP3 1103 38.328 68.117 27.883 1.00 0.00 WT1 O ATOM 6305 H1 TIP3 1103 38.856 67.549 27.321 1.00 0.00 WT1 H ATOM 6306 H2 TIP3 1103 38.810 68.153 28.709 1.00 0.00 WT1 H ATOM 6307 OH2 TIP3 1104 38.276 69.035 -18.932 1.00 0.00 WT1 O ATOM 6308 H1 TIP3 1104 38.347 69.911 -19.313 1.00 0.00 WT1 H ATOM 6309 H2 TIP3 1104 39.173 68.700 -18.933 1.00 0.00 WT1 H ATOM 6310 OH2 TIP3 1105 63.838 29.331 34.050 1.00 0.00 WT1 O ATOM 6311 H1 TIP3 1105 63.570 30.127 33.592 1.00 0.00 WT1 H ATOM 6312 H2 TIP3 1105 63.147 29.181 34.695 1.00 0.00 WT1 H ATOM 6313 OH2 TIP3 1106 78.372 23.056 66.618 1.00 0.00 WT1 O ATOM 6314 H1 TIP3 1106 78.581 23.522 65.808 1.00 0.00 WT1 H ATOM 6315 H2 TIP3 1106 78.747 23.600 67.311 1.00 0.00 WT1 H ATOM 6316 OH2 TIP3 1107 21.580 66.247 19.340 1.00 0.00 WT1 O ATOM 6317 H1 TIP3 1107 20.959 66.126 18.622 1.00 0.00 WT1 H ATOM 6318 H2 TIP3 1107 22.022 65.402 19.420 1.00 0.00 WT1 H ATOM 6319 OH2 TIP3 1108 87.384 12.848 39.341 1.00 0.00 WT1 O ATOM 6320 H1 TIP3 1108 87.599 12.293 40.091 1.00 0.00 WT1 H ATOM 6321 H2 TIP3 1108 87.871 12.466 38.612 1.00 0.00 WT1 H ATOM 6322 OH2 TIP3 1109 76.626 17.593 42.436 1.00 0.00 WT1 O ATOM 6323 H1 TIP3 1109 76.778 16.888 41.806 1.00 0.00 WT1 H ATOM 6324 H2 TIP3 1109 75.683 17.753 42.394 1.00 0.00 WT1 H ATOM 6325 OH2 TIP3 1110 37.469 95.463 47.152 1.00 0.00 WT1 O ATOM 6326 H1 TIP3 1110 37.629 96.393 47.313 1.00 0.00 WT1 H ATOM 6327 H2 TIP3 1110 37.634 95.350 46.216 1.00 0.00 WT1 H ATOM 6328 OH2 TIP3 1111 23.775 41.996 43.814 1.00 0.00 WT1 O ATOM 6329 H1 TIP3 1111 23.165 42.713 43.641 1.00 0.00 WT1 H ATOM 6330 H2 TIP3 1111 23.385 41.238 43.379 1.00 0.00 WT1 H ATOM 6331 OH2 TIP3 1112 52.901 87.593 -17.218 1.00 0.00 WT1 O ATOM 6332 H1 TIP3 1112 52.703 86.848 -16.650 1.00 0.00 WT1 H ATOM 6333 H2 TIP3 1112 52.171 88.198 -17.084 1.00 0.00 WT1 H ATOM 6334 OH2 TIP3 1113 47.691 27.407 57.343 1.00 0.00 WT1 O ATOM 6335 H1 TIP3 1113 47.771 28.355 57.245 1.00 0.00 WT1 H ATOM 6336 H2 TIP3 1113 47.842 27.061 56.463 1.00 0.00 WT1 H ATOM 6337 OH2 TIP3 1114 53.970 40.561 67.039 1.00 0.00 WT1 O ATOM 6338 H1 TIP3 1114 54.726 40.931 67.494 1.00 0.00 WT1 H ATOM 6339 H2 TIP3 1114 54.302 40.325 66.173 1.00 0.00 WT1 H ATOM 6340 OH2 TIP3 1115 32.628 94.200 30.905 1.00 0.00 WT1 O ATOM 6341 H1 TIP3 1115 32.463 93.896 31.797 1.00 0.00 WT1 H ATOM 6342 H2 TIP3 1115 31.770 94.480 30.584 1.00 0.00 WT1 H ATOM 6343 OH2 TIP3 1116 79.083 42.707 47.450 1.00 0.00 WT1 O ATOM 6344 H1 TIP3 1116 78.955 43.625 47.688 1.00 0.00 WT1 H ATOM 6345 H2 TIP3 1116 78.514 42.223 48.049 1.00 0.00 WT1 H ATOM 6346 OH2 TIP3 1117 46.701 7.829 30.734 1.00 0.00 WT1 O ATOM 6347 H1 TIP3 1117 46.219 7.012 30.603 1.00 0.00 WT1 H ATOM 6348 H2 TIP3 1117 47.508 7.563 31.174 1.00 0.00 WT1 H ATOM 6349 OH2 TIP3 1118 65.241 44.113 54.393 1.00 0.00 WT1 O ATOM 6350 H1 TIP3 1118 65.172 45.048 54.199 1.00 0.00 WT1 H ATOM 6351 H2 TIP3 1118 66.132 44.002 54.727 1.00 0.00 WT1 H ATOM 6352 OH2 TIP3 1119 42.990 11.210 2.215 1.00 0.00 WT1 O ATOM 6353 H1 TIP3 1119 42.670 11.442 3.086 1.00 0.00 WT1 H ATOM 6354 H2 TIP3 1119 43.644 10.529 2.372 1.00 0.00 WT1 H ATOM 6355 OH2 TIP3 1120 72.988 1.799 48.163 1.00 0.00 WT1 O ATOM 6356 H1 TIP3 1120 73.416 1.057 47.735 1.00 0.00 WT1 H ATOM 6357 H2 TIP3 1120 72.161 1.444 48.489 1.00 0.00 WT1 H ATOM 6358 OH2 TIP3 1121 86.311 25.332 58.118 1.00 0.00 WT1 O ATOM 6359 H1 TIP3 1121 86.417 26.250 57.870 1.00 0.00 WT1 H ATOM 6360 H2 TIP3 1121 86.101 25.357 59.051 1.00 0.00 WT1 H ATOM 6361 OH2 TIP3 1122 57.536 84.303 -1.555 1.00 0.00 WT1 O ATOM 6362 H1 TIP3 1122 56.957 84.533 -0.828 1.00 0.00 WT1 H ATOM 6363 H2 TIP3 1122 57.494 83.348 -1.603 1.00 0.00 WT1 H ATOM 6364 OH2 TIP3 1123 89.435 37.684 0.706 1.00 0.00 WT1 O ATOM 6365 H1 TIP3 1123 89.457 38.479 1.238 1.00 0.00 WT1 H ATOM 6366 H2 TIP3 1123 90.243 37.222 0.931 1.00 0.00 WT1 H ATOM 6367 OH2 TIP3 1124 62.268 11.191 46.631 1.00 0.00 WT1 O ATOM 6368 H1 TIP3 1124 61.653 11.084 45.905 1.00 0.00 WT1 H ATOM 6369 H2 TIP3 1124 62.190 10.380 47.133 1.00 0.00 WT1 H ATOM 6370 OH2 TIP3 1125 84.831 57.562 42.214 1.00 0.00 WT1 O ATOM 6371 H1 TIP3 1125 84.496 58.450 42.091 1.00 0.00 WT1 H ATOM 6372 H2 TIP3 1125 85.550 57.488 41.586 1.00 0.00 WT1 H ATOM 6373 OH2 TIP3 1126 27.619 91.355 -14.151 1.00 0.00 WT1 O ATOM 6374 H1 TIP3 1126 28.527 91.547 -13.917 1.00 0.00 WT1 H ATOM 6375 H2 TIP3 1126 27.552 91.599 -15.074 1.00 0.00 WT1 H ATOM 6376 OH2 TIP3 1129 76.741 22.832 -7.440 1.00 0.00 WT1 O ATOM 6377 H1 TIP3 1129 76.955 23.010 -6.524 1.00 0.00 WT1 H ATOM 6378 H2 TIP3 1129 76.857 21.886 -7.534 1.00 0.00 WT1 H ATOM 6379 OH2 TIP3 1130 71.386 13.010 44.251 1.00 0.00 WT1 O ATOM 6380 H1 TIP3 1130 70.603 12.500 44.043 1.00 0.00 WT1 H ATOM 6381 H2 TIP3 1130 72.100 12.541 43.820 1.00 0.00 WT1 H ATOM 6382 OH2 TIP3 1131 57.984 16.759 -20.072 1.00 0.00 WT1 O ATOM 6383 H1 TIP3 1131 57.446 17.496 -19.780 1.00 0.00 WT1 H ATOM 6384 H2 TIP3 1131 58.316 16.370 -19.263 1.00 0.00 WT1 H ATOM 6385 OH2 TIP3 1132 49.081 44.523 43.688 1.00 0.00 WT1 O ATOM 6386 H1 TIP3 1132 48.568 44.392 42.890 1.00 0.00 WT1 H ATOM 6387 H2 TIP3 1132 48.923 43.735 44.206 1.00 0.00 WT1 H ATOM 6388 OH2 TIP3 1133 46.376 31.755 38.834 1.00 0.00 WT1 O ATOM 6389 H1 TIP3 1133 45.748 31.940 38.136 1.00 0.00 WT1 H ATOM 6390 H2 TIP3 1133 46.930 32.534 38.871 1.00 0.00 WT1 H ATOM 6391 OH2 TIP3 1134 87.884 52.169 -13.488 1.00 0.00 WT1 O ATOM 6392 H1 TIP3 1134 88.713 51.691 -13.507 1.00 0.00 WT1 H ATOM 6393 H2 TIP3 1134 88.120 53.069 -13.714 1.00 0.00 WT1 H ATOM 6394 OH2 TIP3 1135 49.510 77.515 14.480 1.00 0.00 WT1 O ATOM 6395 H1 TIP3 1135 49.290 76.816 15.095 1.00 0.00 WT1 H ATOM 6396 H2 TIP3 1135 49.635 78.289 15.029 1.00 0.00 WT1 H ATOM 6397 OH2 TIP3 1136 23.441 72.516 54.560 1.00 0.00 WT1 O ATOM 6398 H1 TIP3 1136 23.950 73.325 54.610 1.00 0.00 WT1 H ATOM 6399 H2 TIP3 1136 23.942 71.952 53.971 1.00 0.00 WT1 H ATOM 6400 OH2 TIP3 1137 73.493 66.019 -13.384 1.00 0.00 WT1 O ATOM 6401 H1 TIP3 1137 72.824 65.969 -12.701 1.00 0.00 WT1 H ATOM 6402 H2 TIP3 1137 73.003 65.962 -14.205 1.00 0.00 WT1 H ATOM 6403 OH2 TIP3 1139 41.632 42.575 17.028 1.00 0.00 WT1 O ATOM 6404 H1 TIP3 1139 41.879 43.490 17.159 1.00 0.00 WT1 H ATOM 6405 H2 TIP3 1139 41.921 42.132 17.826 1.00 0.00 WT1 H ATOM 6406 OH2 TIP3 1140 46.036 69.359 57.693 1.00 0.00 WT1 O ATOM 6407 H1 TIP3 1140 46.770 68.758 57.568 1.00 0.00 WT1 H ATOM 6408 H2 TIP3 1140 46.435 70.229 57.686 1.00 0.00 WT1 H ATOM 6409 OH2 TIP3 1141 54.123 12.280 -14.850 1.00 0.00 WT1 O ATOM 6410 H1 TIP3 1141 54.304 11.739 -15.619 1.00 0.00 WT1 H ATOM 6411 H2 TIP3 1141 53.975 11.651 -14.144 1.00 0.00 WT1 H ATOM 6412 OH2 TIP3 1142 60.840 18.453 46.071 1.00 0.00 WT1 O ATOM 6413 H1 TIP3 1142 61.248 19.224 46.464 1.00 0.00 WT1 H ATOM 6414 H2 TIP3 1142 61.566 17.973 45.674 1.00 0.00 WT1 H ATOM 6415 OH2 TIP3 1143 52.704 65.670 64.852 1.00 0.00 WT1 O ATOM 6416 H1 TIP3 1143 52.283 66.150 65.565 1.00 0.00 WT1 H ATOM 6417 H2 TIP3 1143 52.551 66.210 64.076 1.00 0.00 WT1 H ATOM 6418 OH2 TIP3 1144 89.189 78.505 51.088 1.00 0.00 WT1 O ATOM 6419 H1 TIP3 1144 89.305 79.011 50.283 1.00 0.00 WT1 H ATOM 6420 H2 TIP3 1144 89.599 79.039 51.768 1.00 0.00 WT1 H ATOM 6421 OH2 TIP3 1146 23.969 39.347 7.756 1.00 0.00 WT1 O ATOM 6422 H1 TIP3 1146 24.224 39.352 8.678 1.00 0.00 WT1 H ATOM 6423 H2 TIP3 1146 24.106 40.248 7.464 1.00 0.00 WT1 H ATOM 6424 OH2 TIP3 1147 34.739 46.181 -2.187 1.00 0.00 WT1 O ATOM 6425 H1 TIP3 1147 35.353 46.106 -1.456 1.00 0.00 WT1 H ATOM 6426 H2 TIP3 1147 35.296 46.278 -2.960 1.00 0.00 WT1 H ATOM 6427 OH2 TIP3 1148 65.638 52.421 36.131 1.00 0.00 WT1 O ATOM 6428 H1 TIP3 1148 65.021 52.328 35.405 1.00 0.00 WT1 H ATOM 6429 H2 TIP3 1148 65.087 52.427 36.914 1.00 0.00 WT1 H ATOM 6430 OH2 TIP3 1149 65.334 94.118 -6.148 1.00 0.00 WT1 O ATOM 6431 H1 TIP3 1149 64.827 94.690 -5.572 1.00 0.00 WT1 H ATOM 6432 H2 TIP3 1149 64.873 94.151 -6.986 1.00 0.00 WT1 H ATOM 6433 OH2 TIP3 1151 65.574 16.616 34.229 1.00 0.00 WT1 O ATOM 6434 H1 TIP3 1151 66.414 16.162 34.294 1.00 0.00 WT1 H ATOM 6435 H2 TIP3 1151 65.639 17.124 33.420 1.00 0.00 WT1 H ATOM 6436 OH2 TIP3 1152 26.632 34.843 2.133 1.00 0.00 WT1 O ATOM 6437 H1 TIP3 1152 27.156 35.622 1.945 1.00 0.00 WT1 H ATOM 6438 H2 TIP3 1152 26.584 34.811 3.088 1.00 0.00 WT1 H ATOM 6439 OH2 TIP3 1153 35.883 44.600 49.647 1.00 0.00 WT1 O ATOM 6440 H1 TIP3 1153 36.186 43.708 49.814 1.00 0.00 WT1 H ATOM 6441 H2 TIP3 1153 36.602 45.013 49.170 1.00 0.00 WT1 H ATOM 6442 OH2 TIP3 1154 69.748 94.138 -2.227 1.00 0.00 WT1 O ATOM 6443 H1 TIP3 1154 70.415 94.511 -1.650 1.00 0.00 WT1 H ATOM 6444 H2 TIP3 1154 68.929 94.236 -1.742 1.00 0.00 WT1 H ATOM 6445 OH2 TIP3 1155 82.031 60.273 10.603 1.00 0.00 WT1 O ATOM 6446 H1 TIP3 1155 81.858 59.517 10.043 1.00 0.00 WT1 H ATOM 6447 H2 TIP3 1155 81.173 60.513 10.954 1.00 0.00 WT1 H ATOM 6448 OH2 TIP3 1156 37.993 31.463 8.523 1.00 0.00 WT1 O ATOM 6449 H1 TIP3 1156 38.531 32.241 8.668 1.00 0.00 WT1 H ATOM 6450 H2 TIP3 1156 37.413 31.426 9.284 1.00 0.00 WT1 H ATOM 6451 OH2 TIP3 1157 44.699 4.819 -5.740 1.00 0.00 WT1 O ATOM 6452 H1 TIP3 1157 45.064 5.538 -5.224 1.00 0.00 WT1 H ATOM 6453 H2 TIP3 1157 44.309 4.232 -5.092 1.00 0.00 WT1 H ATOM 6454 OH2 TIP3 1158 48.776 79.111 -9.534 1.00 0.00 WT1 O ATOM 6455 H1 TIP3 1158 49.601 78.817 -9.921 1.00 0.00 WT1 H ATOM 6456 H2 TIP3 1158 48.502 78.385 -8.974 1.00 0.00 WT1 H ATOM 6457 OH2 TIP3 1159 29.179 60.567 20.404 1.00 0.00 WT1 O ATOM 6458 H1 TIP3 1159 29.582 60.377 21.251 1.00 0.00 WT1 H ATOM 6459 H2 TIP3 1159 29.446 61.465 20.207 1.00 0.00 WT1 H ATOM 6460 OH2 TIP3 1160 47.853 36.551 25.032 1.00 0.00 WT1 O ATOM 6461 H1 TIP3 1160 48.187 36.370 24.153 1.00 0.00 WT1 H ATOM 6462 H2 TIP3 1160 47.828 35.695 25.460 1.00 0.00 WT1 H ATOM 6463 OH2 TIP3 1161 72.903 88.063 65.215 1.00 0.00 WT1 O ATOM 6464 H1 TIP3 1161 73.164 88.928 64.898 1.00 0.00 WT1 H ATOM 6465 H2 TIP3 1161 73.704 87.541 65.172 1.00 0.00 WT1 H ATOM 6466 OH2 TIP3 1162 54.058 65.587 24.574 1.00 0.00 WT1 O ATOM 6467 H1 TIP3 1162 54.811 65.742 24.005 1.00 0.00 WT1 H ATOM 6468 H2 TIP3 1162 54.251 64.755 25.007 1.00 0.00 WT1 H ATOM 6469 OH2 TIP3 1163 56.334 20.524 55.828 1.00 0.00 WT1 O ATOM 6470 H1 TIP3 1163 57.136 20.874 56.214 1.00 0.00 WT1 H ATOM 6471 H2 TIP3 1163 56.337 20.853 54.929 1.00 0.00 WT1 H ATOM 6472 OH2 TIP3 1164 61.621 30.344 -15.427 1.00 0.00 WT1 O ATOM 6473 H1 TIP3 1164 61.520 31.155 -14.929 1.00 0.00 WT1 H ATOM 6474 H2 TIP3 1164 61.417 30.589 -16.329 1.00 0.00 WT1 H ATOM 6475 OH2 TIP3 1165 68.643 24.449 -8.186 1.00 0.00 WT1 O ATOM 6476 H1 TIP3 1165 69.589 24.483 -8.330 1.00 0.00 WT1 H ATOM 6477 H2 TIP3 1165 68.345 23.716 -8.725 1.00 0.00 WT1 H ATOM 6478 OH2 TIP3 1166 58.748 35.223 13.353 1.00 0.00 WT1 O ATOM 6479 H1 TIP3 1166 58.117 35.554 13.992 1.00 0.00 WT1 H ATOM 6480 H2 TIP3 1166 58.815 34.288 13.544 1.00 0.00 WT1 H ATOM 6481 OH2 TIP3 1167 35.568 91.785 26.324 1.00 0.00 WT1 O ATOM 6482 H1 TIP3 1167 34.997 91.288 25.738 1.00 0.00 WT1 H ATOM 6483 H2 TIP3 1167 35.358 92.701 26.144 1.00 0.00 WT1 H ATOM 6484 OH2 TIP3 1168 89.321 72.933 33.076 1.00 0.00 WT1 O ATOM 6485 H1 TIP3 1168 89.886 72.224 32.768 1.00 0.00 WT1 H ATOM 6486 H2 TIP3 1168 88.449 72.541 33.126 1.00 0.00 WT1 H ATOM 6487 OH2 TIP3 1169 30.936 67.102 -0.541 1.00 0.00 WT1 O ATOM 6488 H1 TIP3 1169 31.396 67.438 0.229 1.00 0.00 WT1 H ATOM 6489 H2 TIP3 1169 31.309 66.232 -0.682 1.00 0.00 WT1 H ATOM 6490 OH2 TIP3 1170 40.224 38.702 48.564 1.00 0.00 WT1 O ATOM 6491 H1 TIP3 1170 40.820 39.450 48.516 1.00 0.00 WT1 H ATOM 6492 H2 TIP3 1170 40.433 38.179 47.790 1.00 0.00 WT1 H ATOM 6493 OH2 TIP3 1171 27.199 89.015 27.366 1.00 0.00 WT1 O ATOM 6494 H1 TIP3 1171 27.657 88.182 27.475 1.00 0.00 WT1 H ATOM 6495 H2 TIP3 1171 26.362 88.778 26.967 1.00 0.00 WT1 H ATOM 6496 OH2 TIP3 1172 25.785 50.306 32.995 1.00 0.00 WT1 O ATOM 6497 H1 TIP3 1172 25.974 49.539 32.455 1.00 0.00 WT1 H ATOM 6498 H2 TIP3 1172 24.832 50.390 32.968 1.00 0.00 WT1 H ATOM 6499 OH2 TIP3 1173 45.957 45.831 41.375 1.00 0.00 WT1 O ATOM 6500 H1 TIP3 1173 45.035 45.818 41.631 1.00 0.00 WT1 H ATOM 6501 H2 TIP3 1173 46.224 44.912 41.392 1.00 0.00 WT1 H ATOM 6502 OH2 TIP3 1174 44.978 56.419 8.391 1.00 0.00 WT1 O ATOM 6503 H1 TIP3 1174 45.683 56.897 8.827 1.00 0.00 WT1 H ATOM 6504 H2 TIP3 1174 45.398 55.629 8.051 1.00 0.00 WT1 H ATOM 6505 OH2 TIP3 1175 83.775 75.838 17.222 1.00 0.00 WT1 O ATOM 6506 H1 TIP3 1175 83.909 76.777 17.348 1.00 0.00 WT1 H ATOM 6507 H2 TIP3 1175 82.857 75.759 16.963 1.00 0.00 WT1 H ATOM 6508 OH2 TIP3 1176 30.531 60.427 38.763 1.00 0.00 WT1 O ATOM 6509 H1 TIP3 1176 29.972 60.788 38.075 1.00 0.00 WT1 H ATOM 6510 H2 TIP3 1176 31.110 61.150 39.006 1.00 0.00 WT1 H ATOM 6511 OH2 TIP3 1177 72.595 45.737 52.817 1.00 0.00 WT1 O ATOM 6512 H1 TIP3 1177 73.508 45.853 52.557 1.00 0.00 WT1 H ATOM 6513 H2 TIP3 1177 72.329 44.918 52.398 1.00 0.00 WT1 H ATOM 6514 OH2 TIP3 1178 31.046 92.790 35.511 1.00 0.00 WT1 O ATOM 6515 H1 TIP3 1178 30.605 92.303 34.814 1.00 0.00 WT1 H ATOM 6516 H2 TIP3 1178 31.627 92.149 35.921 1.00 0.00 WT1 H ATOM 6517 OH2 TIP3 1179 23.237 53.194 49.084 1.00 0.00 WT1 O ATOM 6518 H1 TIP3 1179 23.536 53.571 49.911 1.00 0.00 WT1 H ATOM 6519 H2 TIP3 1179 22.926 53.945 48.577 1.00 0.00 WT1 H ATOM 6520 OH2 TIP3 1180 51.970 18.800 40.174 1.00 0.00 WT1 O ATOM 6521 H1 TIP3 1180 52.212 19.390 40.888 1.00 0.00 WT1 H ATOM 6522 H2 TIP3 1180 51.118 18.448 40.431 1.00 0.00 WT1 H ATOM 6523 OH2 TIP3 1181 20.304 82.078 40.714 1.00 0.00 WT1 O ATOM 6524 H1 TIP3 1181 21.118 81.891 40.247 1.00 0.00 WT1 H ATOM 6525 H2 TIP3 1181 19.696 82.363 40.032 1.00 0.00 WT1 H ATOM 6526 OH2 TIP3 1182 83.341 56.553 48.695 1.00 0.00 WT1 O ATOM 6527 H1 TIP3 1182 84.221 56.896 48.850 1.00 0.00 WT1 H ATOM 6528 H2 TIP3 1182 82.837 57.311 48.398 1.00 0.00 WT1 H ATOM 6529 OH2 TIP3 1183 84.459 74.970 63.576 1.00 0.00 WT1 O ATOM 6530 H1 TIP3 1183 84.264 75.859 63.874 1.00 0.00 WT1 H ATOM 6531 H2 TIP3 1183 84.029 74.403 64.216 1.00 0.00 WT1 H ATOM 6532 OH2 TIP3 1184 76.611 1.567 35.767 1.00 0.00 WT1 O ATOM 6533 H1 TIP3 1184 75.730 1.198 35.833 1.00 0.00 WT1 H ATOM 6534 H2 TIP3 1184 76.529 2.270 35.121 1.00 0.00 WT1 H ATOM 6535 OH2 TIP3 1185 56.379 80.294 46.053 1.00 0.00 WT1 O ATOM 6536 H1 TIP3 1185 56.927 79.750 46.618 1.00 0.00 WT1 H ATOM 6537 H2 TIP3 1185 55.956 79.674 45.460 1.00 0.00 WT1 H ATOM 6538 OH2 TIP3 1186 85.860 11.411 -7.917 1.00 0.00 WT1 O ATOM 6539 H1 TIP3 1186 86.755 11.185 -7.665 1.00 0.00 WT1 H ATOM 6540 H2 TIP3 1186 85.706 12.267 -7.516 1.00 0.00 WT1 H ATOM 6541 OH2 TIP3 1188 75.757 86.166 -8.025 1.00 0.00 WT1 O ATOM 6542 H1 TIP3 1188 76.527 85.614 -8.159 1.00 0.00 WT1 H ATOM 6543 H2 TIP3 1188 76.000 87.012 -8.400 1.00 0.00 WT1 H ATOM 6544 OH2 TIP3 1189 60.651 41.029 45.558 1.00 0.00 WT1 O ATOM 6545 H1 TIP3 1189 59.901 40.470 45.764 1.00 0.00 WT1 H ATOM 6546 H2 TIP3 1189 61.125 40.554 44.876 1.00 0.00 WT1 H ATOM 6547 OH2 TIP3 1190 43.283 45.341 42.616 1.00 0.00 WT1 O ATOM 6548 H1 TIP3 1190 42.350 45.553 42.607 1.00 0.00 WT1 H ATOM 6549 H2 TIP3 1190 43.615 45.752 43.414 1.00 0.00 WT1 H ATOM 6550 OH2 TIP3 1191 62.379 16.925 33.928 1.00 0.00 WT1 O ATOM 6551 H1 TIP3 1191 63.165 17.085 34.451 1.00 0.00 WT1 H ATOM 6552 H2 TIP3 1191 62.357 15.976 33.811 1.00 0.00 WT1 H ATOM 6553 OH2 TIP3 1192 38.737 5.358 48.527 1.00 0.00 WT1 O ATOM 6554 H1 TIP3 1192 37.831 5.298 48.830 1.00 0.00 WT1 H ATOM 6555 H2 TIP3 1192 39.241 4.878 49.184 1.00 0.00 WT1 H ATOM 6556 OH2 TIP3 1194 77.876 47.288 52.311 1.00 0.00 WT1 O ATOM 6557 H1 TIP3 1194 78.775 46.960 52.338 1.00 0.00 WT1 H ATOM 6558 H2 TIP3 1194 77.827 47.784 51.494 1.00 0.00 WT1 H ATOM 6559 OH2 TIP3 1195 42.329 88.766 -11.134 1.00 0.00 WT1 O ATOM 6560 H1 TIP3 1195 41.892 88.043 -10.683 1.00 0.00 WT1 H ATOM 6561 H2 TIP3 1195 41.940 88.773 -12.009 1.00 0.00 WT1 H ATOM 6562 OH2 TIP3 1196 60.353 22.132 22.675 1.00 0.00 WT1 O ATOM 6563 H1 TIP3 1196 60.093 22.252 21.762 1.00 0.00 WT1 H ATOM 6564 H2 TIP3 1196 59.531 22.156 23.164 1.00 0.00 WT1 H ATOM 6565 OH2 TIP3 1197 27.492 47.892 25.769 1.00 0.00 WT1 O ATOM 6566 H1 TIP3 1197 27.473 47.994 24.817 1.00 0.00 WT1 H ATOM 6567 H2 TIP3 1197 28.254 48.400 26.049 1.00 0.00 WT1 H ATOM 6568 OH2 TIP3 1198 64.144 26.137 32.465 1.00 0.00 WT1 O ATOM 6569 H1 TIP3 1198 63.392 26.679 32.225 1.00 0.00 WT1 H ATOM 6570 H2 TIP3 1198 64.878 26.521 31.987 1.00 0.00 WT1 H ATOM 6571 OH2 TIP3 1199 65.883 62.335 23.346 1.00 0.00 WT1 O ATOM 6572 H1 TIP3 1199 65.068 62.628 22.939 1.00 0.00 WT1 H ATOM 6573 H2 TIP3 1199 66.528 62.997 23.094 1.00 0.00 WT1 H ATOM 6574 OH2 TIP3 1200 64.967 36.655 -10.051 1.00 0.00 WT1 O ATOM 6575 H1 TIP3 1200 64.197 37.055 -9.647 1.00 0.00 WT1 H ATOM 6576 H2 TIP3 1200 65.705 37.164 -9.716 1.00 0.00 WT1 H ATOM 6577 OH2 TIP3 1201 54.980 41.011 2.488 1.00 0.00 WT1 O ATOM 6578 H1 TIP3 1201 55.512 40.823 3.261 1.00 0.00 WT1 H ATOM 6579 H2 TIP3 1201 54.106 40.694 2.715 1.00 0.00 WT1 H ATOM 6580 OH2 TIP3 1202 87.113 28.010 60.674 1.00 0.00 WT1 O ATOM 6581 H1 TIP3 1202 87.699 27.275 60.854 1.00 0.00 WT1 H ATOM 6582 H2 TIP3 1202 86.934 27.950 59.735 1.00 0.00 WT1 H ATOM 6583 OH2 TIP3 1203 68.395 31.906 56.765 1.00 0.00 WT1 O ATOM 6584 H1 TIP3 1203 67.673 31.349 56.472 1.00 0.00 WT1 H ATOM 6585 H2 TIP3 1203 68.733 32.303 55.962 1.00 0.00 WT1 H ATOM 6586 OH2 TIP3 1204 39.389 83.578 32.885 1.00 0.00 WT1 O ATOM 6587 H1 TIP3 1204 39.610 83.099 32.086 1.00 0.00 WT1 H ATOM 6588 H2 TIP3 1204 38.818 82.983 33.371 1.00 0.00 WT1 H ATOM 6589 OH2 TIP3 1205 51.291 48.640 -8.369 1.00 0.00 WT1 O ATOM 6590 H1 TIP3 1205 51.239 49.055 -9.230 1.00 0.00 WT1 H ATOM 6591 H2 TIP3 1205 51.880 49.204 -7.867 1.00 0.00 WT1 H ATOM 6592 OH2 TIP3 1206 32.808 91.339 30.153 1.00 0.00 WT1 O ATOM 6593 H1 TIP3 1206 32.661 90.613 29.547 1.00 0.00 WT1 H ATOM 6594 H2 TIP3 1206 32.006 91.858 30.107 1.00 0.00 WT1 H ATOM 6595 OH2 TIP3 1207 20.917 80.055 65.628 1.00 0.00 WT1 O ATOM 6596 H1 TIP3 1207 21.857 80.229 65.576 1.00 0.00 WT1 H ATOM 6597 H2 TIP3 1207 20.800 79.619 66.472 1.00 0.00 WT1 H ATOM 6598 OH2 TIP3 1208 63.206 30.764 29.184 1.00 0.00 WT1 O ATOM 6599 H1 TIP3 1208 63.107 31.695 28.982 1.00 0.00 WT1 H ATOM 6600 H2 TIP3 1208 64.135 30.662 29.391 1.00 0.00 WT1 H ATOM 6601 OH2 TIP3 1209 75.152 31.895 20.594 1.00 0.00 WT1 O ATOM 6602 H1 TIP3 1209 74.975 31.087 21.076 1.00 0.00 WT1 H ATOM 6603 H2 TIP3 1209 74.403 32.459 20.785 1.00 0.00 WT1 H ATOM 6604 OH2 TIP3 1210 30.267 55.033 12.633 1.00 0.00 WT1 O ATOM 6605 H1 TIP3 1210 30.053 55.873 12.225 1.00 0.00 WT1 H ATOM 6606 H2 TIP3 1210 31.054 54.737 12.175 1.00 0.00 WT1 H ATOM 6607 OH2 TIP3 1211 68.890 40.168 1.863 1.00 0.00 WT1 O ATOM 6608 H1 TIP3 1211 69.635 40.739 1.673 1.00 0.00 WT1 H ATOM 6609 H2 TIP3 1211 69.286 39.333 2.113 1.00 0.00 WT1 H ATOM 6610 OH2 TIP3 1212 44.535 13.512 26.554 1.00 0.00 WT1 O ATOM 6611 H1 TIP3 1212 44.042 12.714 26.363 1.00 0.00 WT1 H ATOM 6612 H2 TIP3 1212 45.199 13.554 25.865 1.00 0.00 WT1 H ATOM 6613 OH2 TIP3 1213 67.398 48.433 42.431 1.00 0.00 WT1 O ATOM 6614 H1 TIP3 1213 67.694 48.188 41.554 1.00 0.00 WT1 H ATOM 6615 H2 TIP3 1213 67.136 49.350 42.350 1.00 0.00 WT1 H ATOM 6616 OH2 TIP3 1214 74.376 52.301 42.298 1.00 0.00 WT1 O ATOM 6617 H1 TIP3 1214 74.872 53.058 41.987 1.00 0.00 WT1 H ATOM 6618 H2 TIP3 1214 73.591 52.286 41.751 1.00 0.00 WT1 H ATOM 6619 OH2 TIP3 1215 38.063 61.513 38.419 1.00 0.00 WT1 O ATOM 6620 H1 TIP3 1215 38.766 62.094 38.130 1.00 0.00 WT1 H ATOM 6621 H2 TIP3 1215 37.335 62.100 38.624 1.00 0.00 WT1 H ATOM 6622 OH2 TIP3 1216 85.094 62.849 29.125 1.00 0.00 WT1 O ATOM 6623 H1 TIP3 1216 84.478 62.772 29.854 1.00 0.00 WT1 H ATOM 6624 H2 TIP3 1216 84.887 62.106 28.558 1.00 0.00 WT1 H ATOM 6625 OH2 TIP3 1217 31.343 9.825 31.118 1.00 0.00 WT1 O ATOM 6626 H1 TIP3 1217 31.329 9.853 30.161 1.00 0.00 WT1 H ATOM 6627 H2 TIP3 1217 32.273 9.830 31.344 1.00 0.00 WT1 H ATOM 6628 OH2 TIP3 1218 54.195 42.039 42.798 1.00 0.00 WT1 O ATOM 6629 H1 TIP3 1218 54.514 42.723 42.210 1.00 0.00 WT1 H ATOM 6630 H2 TIP3 1218 54.789 41.302 42.653 1.00 0.00 WT1 H ATOM 6631 OH2 TIP3 1219 27.099 54.217 62.323 1.00 0.00 WT1 O ATOM 6632 H1 TIP3 1219 27.521 53.652 62.970 1.00 0.00 WT1 H ATOM 6633 H2 TIP3 1219 27.276 55.107 62.629 1.00 0.00 WT1 H ATOM 6634 OH2 TIP3 1220 25.124 91.259 24.675 1.00 0.00 WT1 O ATOM 6635 H1 TIP3 1220 24.197 91.498 24.661 1.00 0.00 WT1 H ATOM 6636 H2 TIP3 1220 25.126 90.302 24.658 1.00 0.00 WT1 H ATOM 6637 OH2 TIP3 1221 50.806 41.030 54.137 1.00 0.00 WT1 O ATOM 6638 H1 TIP3 1221 51.666 41.371 53.890 1.00 0.00 WT1 H ATOM 6639 H2 TIP3 1221 50.994 40.345 54.778 1.00 0.00 WT1 H ATOM 6640 OH2 TIP3 1222 54.115 42.074 45.611 1.00 0.00 WT1 O ATOM 6641 H1 TIP3 1222 54.754 42.783 45.538 1.00 0.00 WT1 H ATOM 6642 H2 TIP3 1222 53.973 41.785 44.709 1.00 0.00 WT1 H ATOM 6643 OH2 TIP3 1223 42.512 40.139 -17.713 1.00 0.00 WT1 O ATOM 6644 H1 TIP3 1223 41.749 40.646 -17.992 1.00 0.00 WT1 H ATOM 6645 H2 TIP3 1223 42.725 40.484 -16.846 1.00 0.00 WT1 H ATOM 6646 OH2 TIP3 1224 41.076 34.632 -6.268 1.00 0.00 WT1 O ATOM 6647 H1 TIP3 1224 41.670 33.898 -6.423 1.00 0.00 WT1 H ATOM 6648 H2 TIP3 1224 41.089 34.756 -5.319 1.00 0.00 WT1 H ATOM 6649 OH2 TIP3 1225 34.402 12.409 -15.178 1.00 0.00 WT1 O ATOM 6650 H1 TIP3 1225 34.339 11.820 -15.930 1.00 0.00 WT1 H ATOM 6651 H2 TIP3 1225 34.648 11.842 -14.448 1.00 0.00 WT1 H ATOM 6652 OH2 TIP3 1226 32.965 42.811 64.074 1.00 0.00 WT1 O ATOM 6653 H1 TIP3 1226 32.348 42.844 64.805 1.00 0.00 WT1 H ATOM 6654 H2 TIP3 1226 33.439 41.989 64.198 1.00 0.00 WT1 H ATOM 6655 OH2 TIP3 1227 72.842 50.578 60.590 1.00 0.00 WT1 O ATOM 6656 H1 TIP3 1227 72.084 50.051 60.336 1.00 0.00 WT1 H ATOM 6657 H2 TIP3 1227 72.779 51.365 60.048 1.00 0.00 WT1 H ATOM 6658 OH2 TIP3 1228 42.446 36.161 51.109 1.00 0.00 WT1 O ATOM 6659 H1 TIP3 1228 42.644 36.072 52.041 1.00 0.00 WT1 H ATOM 6660 H2 TIP3 1228 42.312 37.100 50.981 1.00 0.00 WT1 H ATOM 6661 OH2 TIP3 1229 50.452 32.715 20.099 1.00 0.00 WT1 O ATOM 6662 H1 TIP3 1229 49.577 32.330 20.158 1.00 0.00 WT1 H ATOM 6663 H2 TIP3 1229 50.342 33.609 20.422 1.00 0.00 WT1 H ATOM 6664 OH2 TIP3 1230 86.285 46.670 10.797 1.00 0.00 WT1 O ATOM 6665 H1 TIP3 1230 86.365 46.876 11.728 1.00 0.00 WT1 H ATOM 6666 H2 TIP3 1230 85.454 47.065 10.533 1.00 0.00 WT1 H ATOM 6667 OH2 TIP3 1231 45.719 83.252 -5.325 1.00 0.00 WT1 O ATOM 6668 H1 TIP3 1231 46.660 83.159 -5.175 1.00 0.00 WT1 H ATOM 6669 H2 TIP3 1231 45.316 82.641 -4.708 1.00 0.00 WT1 H ATOM 6670 OH2 TIP3 1233 43.985 39.553 42.972 1.00 0.00 WT1 O ATOM 6671 H1 TIP3 1233 43.666 40.420 42.720 1.00 0.00 WT1 H ATOM 6672 H2 TIP3 1233 44.344 39.676 43.851 1.00 0.00 WT1 H ATOM 6673 OH2 TIP3 1234 87.991 33.602 39.307 1.00 0.00 WT1 O ATOM 6674 H1 TIP3 1234 88.398 33.966 40.093 1.00 0.00 WT1 H ATOM 6675 H2 TIP3 1234 88.430 32.761 39.177 1.00 0.00 WT1 H ATOM 6676 OH2 TIP3 1235 52.949 70.609 58.130 1.00 0.00 WT1 O ATOM 6677 H1 TIP3 1235 52.784 70.301 57.239 1.00 0.00 WT1 H ATOM 6678 H2 TIP3 1235 53.879 70.436 58.276 1.00 0.00 WT1 H ATOM 6679 OH2 TIP3 1236 73.280 60.007 37.362 1.00 0.00 WT1 O ATOM 6680 H1 TIP3 1236 73.123 60.942 37.232 1.00 0.00 WT1 H ATOM 6681 H2 TIP3 1236 72.438 59.594 37.175 1.00 0.00 WT1 H ATOM 6682 OH2 TIP3 1237 90.307 34.991 28.383 1.00 0.00 WT1 O ATOM 6683 H1 TIP3 1237 90.094 35.918 28.489 1.00 0.00 WT1 H ATOM 6684 H2 TIP3 1237 91.243 34.981 28.182 1.00 0.00 WT1 H ATOM 6685 OH2 TIP3 1238 62.303 35.068 38.247 1.00 0.00 WT1 O ATOM 6686 H1 TIP3 1238 62.006 34.406 37.623 1.00 0.00 WT1 H ATOM 6687 H2 TIP3 1238 62.648 35.774 37.702 1.00 0.00 WT1 H ATOM 6688 OH2 TIP3 1239 57.253 46.997 32.145 1.00 0.00 WT1 O ATOM 6689 H1 TIP3 1239 57.029 47.848 31.769 1.00 0.00 WT1 H ATOM 6690 H2 TIP3 1239 57.071 46.370 31.444 1.00 0.00 WT1 H ATOM 6691 OH2 TIP3 1240 25.174 73.331 -11.897 1.00 0.00 WT1 O ATOM 6692 H1 TIP3 1240 25.816 72.944 -12.493 1.00 0.00 WT1 H ATOM 6693 H2 TIP3 1240 25.350 74.271 -11.931 1.00 0.00 WT1 H ATOM 6694 OH2 TIP3 1242 49.455 85.114 26.510 1.00 0.00 WT1 O ATOM 6695 H1 TIP3 1242 48.988 85.243 25.684 1.00 0.00 WT1 H ATOM 6696 H2 TIP3 1242 48.893 84.525 27.013 1.00 0.00 WT1 H ATOM 6697 OH2 TIP3 1243 55.851 75.551 33.692 1.00 0.00 WT1 O ATOM 6698 H1 TIP3 1243 55.092 74.968 33.716 1.00 0.00 WT1 H ATOM 6699 H2 TIP3 1243 56.568 74.997 33.383 1.00 0.00 WT1 H ATOM 6700 OH2 TIP3 1244 80.082 40.229 -1.766 1.00 0.00 WT1 O ATOM 6701 H1 TIP3 1244 79.794 40.949 -2.327 1.00 0.00 WT1 H ATOM 6702 H2 TIP3 1244 81.034 40.320 -1.729 1.00 0.00 WT1 H ATOM 6703 OH2 TIP3 1245 22.008 36.985 45.896 1.00 0.00 WT1 O ATOM 6704 H1 TIP3 1245 22.796 36.935 46.437 1.00 0.00 WT1 H ATOM 6705 H2 TIP3 1245 21.970 37.898 45.612 1.00 0.00 WT1 H ATOM 6706 OH2 TIP3 1246 80.948 46.485 55.438 1.00 0.00 WT1 O ATOM 6707 H1 TIP3 1246 80.009 46.303 55.402 1.00 0.00 WT1 H ATOM 6708 H2 TIP3 1246 81.013 47.328 55.886 1.00 0.00 WT1 H ATOM 6709 OH2 TIP3 1247 82.827 52.075 17.870 1.00 0.00 WT1 O ATOM 6710 H1 TIP3 1247 83.465 52.177 18.576 1.00 0.00 WT1 H ATOM 6711 H2 TIP3 1247 82.100 52.646 18.119 1.00 0.00 WT1 H ATOM 6712 OH2 TIP3 1248 36.737 62.855 64.848 1.00 0.00 WT1 O ATOM 6713 H1 TIP3 1248 37.107 63.720 64.677 1.00 0.00 WT1 H ATOM 6714 H2 TIP3 1248 36.026 63.016 65.469 1.00 0.00 WT1 H ATOM 6715 OH2 TIP3 1249 25.586 53.848 15.369 1.00 0.00 WT1 O ATOM 6716 H1 TIP3 1249 25.876 54.704 15.685 1.00 0.00 WT1 H ATOM 6717 H2 TIP3 1249 26.333 53.269 15.525 1.00 0.00 WT1 H ATOM 6718 OH2 TIP3 1250 78.905 3.971 36.994 1.00 0.00 WT1 O ATOM 6719 H1 TIP3 1250 78.965 4.911 36.823 1.00 0.00 WT1 H ATOM 6720 H2 TIP3 1250 78.348 3.635 36.292 1.00 0.00 WT1 H ATOM 6721 OH2 TIP3 1253 82.644 93.140 56.132 1.00 0.00 WT1 O ATOM 6722 H1 TIP3 1253 82.599 94.059 55.868 1.00 0.00 WT1 H ATOM 6723 H2 TIP3 1253 82.244 92.662 55.405 1.00 0.00 WT1 H ATOM 6724 OH2 TIP3 1254 23.385 16.124 67.319 1.00 0.00 WT1 O ATOM 6725 H1 TIP3 1254 22.569 16.582 67.119 1.00 0.00 WT1 H ATOM 6726 H2 TIP3 1254 23.602 15.656 66.513 1.00 0.00 WT1 H ATOM 6727 OH2 TIP3 1255 85.139 46.627 31.302 1.00 0.00 WT1 O ATOM 6728 H1 TIP3 1255 84.848 45.965 31.928 1.00 0.00 WT1 H ATOM 6729 H2 TIP3 1255 84.535 46.541 30.564 1.00 0.00 WT1 H ATOM 6730 OH2 TIP3 1256 35.641 62.581 61.862 1.00 0.00 WT1 O ATOM 6731 H1 TIP3 1256 36.255 63.148 61.395 1.00 0.00 WT1 H ATOM 6732 H2 TIP3 1256 34.829 63.087 61.900 1.00 0.00 WT1 H ATOM 6733 OH2 TIP3 1257 28.631 41.949 22.112 1.00 0.00 WT1 O ATOM 6734 H1 TIP3 1257 28.838 42.523 22.849 1.00 0.00 WT1 H ATOM 6735 H2 TIP3 1257 28.290 42.538 21.438 1.00 0.00 WT1 H ATOM 6736 OH2 TIP3 1258 26.680 53.791 21.373 1.00 0.00 WT1 O ATOM 6737 H1 TIP3 1258 26.507 54.115 20.489 1.00 0.00 WT1 H ATOM 6738 H2 TIP3 1258 26.645 52.838 21.291 1.00 0.00 WT1 H ATOM 6739 OH2 TIP3 1259 23.204 3.602 2.487 1.00 0.00 WT1 O ATOM 6740 H1 TIP3 1259 22.305 3.272 2.477 1.00 0.00 WT1 H ATOM 6741 H2 TIP3 1259 23.121 4.530 2.271 1.00 0.00 WT1 H ATOM 6742 OH2 TIP3 1260 36.850 45.713 6.738 1.00 0.00 WT1 O ATOM 6743 H1 TIP3 1260 36.867 46.510 7.267 1.00 0.00 WT1 H ATOM 6744 H2 TIP3 1260 37.735 45.356 6.812 1.00 0.00 WT1 H ATOM 6745 OH2 TIP3 1261 79.925 45.074 58.559 1.00 0.00 WT1 O ATOM 6746 H1 TIP3 1261 79.527 45.937 58.445 1.00 0.00 WT1 H ATOM 6747 H2 TIP3 1261 80.051 44.749 57.667 1.00 0.00 WT1 H ATOM 6748 OH2 TIP3 1262 59.813 9.883 52.077 1.00 0.00 WT1 O ATOM 6749 H1 TIP3 1262 60.705 10.230 52.074 1.00 0.00 WT1 H ATOM 6750 H2 TIP3 1262 59.910 8.973 52.356 1.00 0.00 WT1 H ATOM 6751 OH2 TIP3 1263 29.158 17.537 30.757 1.00 0.00 WT1 O ATOM 6752 H1 TIP3 1263 28.978 18.075 31.528 1.00 0.00 WT1 H ATOM 6753 H2 TIP3 1263 29.260 18.166 30.043 1.00 0.00 WT1 H ATOM 6754 OH2 TIP3 1264 57.991 41.671 -5.060 1.00 0.00 WT1 O ATOM 6755 H1 TIP3 1264 58.619 41.905 -4.377 1.00 0.00 WT1 H ATOM 6756 H2 TIP3 1264 57.262 42.279 -4.933 1.00 0.00 WT1 H ATOM 6757 OH2 TIP3 1265 25.230 90.615 54.307 1.00 0.00 WT1 O ATOM 6758 H1 TIP3 1265 24.770 89.926 54.785 1.00 0.00 WT1 H ATOM 6759 H2 TIP3 1265 26.152 90.361 54.347 1.00 0.00 WT1 H ATOM 6760 OH2 TIP3 1266 20.135 58.986 29.614 1.00 0.00 WT1 O ATOM 6761 H1 TIP3 1266 20.791 58.751 28.958 1.00 0.00 WT1 H ATOM 6762 H2 TIP3 1266 20.428 59.831 29.955 1.00 0.00 WT1 H ATOM 6763 OH2 TIP3 1267 70.810 43.665 44.589 1.00 0.00 WT1 O ATOM 6764 H1 TIP3 1267 71.045 42.855 45.042 1.00 0.00 WT1 H ATOM 6765 H2 TIP3 1267 71.647 44.094 44.415 1.00 0.00 WT1 H ATOM 6766 OH2 TIP3 1268 38.329 39.342 -10.301 1.00 0.00 WT1 O ATOM 6767 H1 TIP3 1268 37.477 38.968 -10.077 1.00 0.00 WT1 H ATOM 6768 H2 TIP3 1268 38.138 39.979 -10.990 1.00 0.00 WT1 H ATOM 6769 OH2 TIP3 1269 60.976 64.738 -19.775 1.00 0.00 WT1 O ATOM 6770 H1 TIP3 1269 61.333 64.370 -18.967 1.00 0.00 WT1 H ATOM 6771 H2 TIP3 1269 61.319 65.632 -19.804 1.00 0.00 WT1 H ATOM 6772 OH2 TIP3 1270 52.168 4.221 58.980 1.00 0.00 WT1 O ATOM 6773 H1 TIP3 1270 52.701 4.526 59.714 1.00 0.00 WT1 H ATOM 6774 H2 TIP3 1270 51.675 4.994 58.704 1.00 0.00 WT1 H ATOM 6775 OH2 TIP3 1271 55.873 30.084 67.436 1.00 0.00 WT1 O ATOM 6776 H1 TIP3 1271 55.346 29.891 66.660 1.00 0.00 WT1 H ATOM 6777 H2 TIP3 1271 56.318 30.905 67.225 1.00 0.00 WT1 H ATOM 6778 OH2 TIP3 1272 33.815 12.795 28.208 1.00 0.00 WT1 O ATOM 6779 H1 TIP3 1272 33.648 12.485 27.318 1.00 0.00 WT1 H ATOM 6780 H2 TIP3 1272 33.496 13.698 28.212 1.00 0.00 WT1 H ATOM 6781 OH2 TIP3 1273 71.066 64.745 -5.514 1.00 0.00 WT1 O ATOM 6782 H1 TIP3 1273 70.375 64.875 -4.864 1.00 0.00 WT1 H ATOM 6783 H2 TIP3 1273 71.350 63.840 -5.384 1.00 0.00 WT1 H ATOM 6784 OH2 TIP3 1274 38.646 58.167 10.428 1.00 0.00 WT1 O ATOM 6785 H1 TIP3 1274 38.915 58.900 9.875 1.00 0.00 WT1 H ATOM 6786 H2 TIP3 1274 39.466 57.817 10.778 1.00 0.00 WT1 H ATOM 6787 OH2 TIP3 1275 85.329 30.459 57.171 1.00 0.00 WT1 O ATOM 6788 H1 TIP3 1275 85.871 31.165 57.524 1.00 0.00 WT1 H ATOM 6789 H2 TIP3 1275 84.491 30.552 57.623 1.00 0.00 WT1 H ATOM 6790 OH2 TIP3 1276 26.058 70.444 59.022 1.00 0.00 WT1 O ATOM 6791 H1 TIP3 1276 25.941 69.677 58.462 1.00 0.00 WT1 H ATOM 6792 H2 TIP3 1276 26.978 70.686 58.908 1.00 0.00 WT1 H ATOM 6793 OH2 TIP3 1277 76.762 90.925 33.310 1.00 0.00 WT1 O ATOM 6794 H1 TIP3 1277 75.972 90.559 33.708 1.00 0.00 WT1 H ATOM 6795 H2 TIP3 1277 76.678 90.721 32.379 1.00 0.00 WT1 H ATOM 6796 OH2 TIP3 1278 65.351 23.230 60.916 1.00 0.00 WT1 O ATOM 6797 H1 TIP3 1278 65.651 22.910 61.767 1.00 0.00 WT1 H ATOM 6798 H2 TIP3 1278 64.772 23.963 61.125 1.00 0.00 WT1 H ATOM 6799 OH2 TIP3 1279 49.113 10.592 31.156 1.00 0.00 WT1 O ATOM 6800 H1 TIP3 1279 49.756 9.897 31.018 1.00 0.00 WT1 H ATOM 6801 H2 TIP3 1279 48.903 10.542 32.088 1.00 0.00 WT1 H ATOM 6802 OH2 TIP3 1281 51.101 46.425 34.192 1.00 0.00 WT1 O ATOM 6803 H1 TIP3 1281 51.926 46.440 33.707 1.00 0.00 WT1 H ATOM 6804 H2 TIP3 1281 50.815 47.338 34.209 1.00 0.00 WT1 H ATOM 6805 OH2 TIP3 1282 63.391 27.259 24.241 1.00 0.00 WT1 O ATOM 6806 H1 TIP3 1282 62.492 26.933 24.289 1.00 0.00 WT1 H ATOM 6807 H2 TIP3 1282 63.566 27.343 23.304 1.00 0.00 WT1 H ATOM 6808 OH2 TIP3 1283 89.839 27.193 -3.176 1.00 0.00 WT1 O ATOM 6809 H1 TIP3 1283 89.632 26.269 -3.314 1.00 0.00 WT1 H ATOM 6810 H2 TIP3 1283 89.281 27.659 -3.798 1.00 0.00 WT1 H ATOM 6811 OH2 TIP3 1284 26.522 69.564 -15.594 1.00 0.00 WT1 O ATOM 6812 H1 TIP3 1284 26.872 69.353 -14.728 1.00 0.00 WT1 H ATOM 6813 H2 TIP3 1284 26.149 68.741 -15.909 1.00 0.00 WT1 H ATOM 6814 OH2 TIP3 1285 88.929 49.472 29.860 1.00 0.00 WT1 O ATOM 6815 H1 TIP3 1285 88.053 49.478 30.246 1.00 0.00 WT1 H ATOM 6816 H2 TIP3 1285 88.929 50.211 29.252 1.00 0.00 WT1 H ATOM 6817 OH2 TIP3 1286 89.615 75.604 -14.102 1.00 0.00 WT1 O ATOM 6818 H1 TIP3 1286 89.938 75.016 -13.420 1.00 0.00 WT1 H ATOM 6819 H2 TIP3 1286 88.672 75.443 -14.131 1.00 0.00 WT1 H ATOM 6820 OH2 TIP3 1287 90.172 62.145 48.670 1.00 0.00 WT1 O ATOM 6821 H1 TIP3 1287 90.615 61.561 48.055 1.00 0.00 WT1 H ATOM 6822 H2 TIP3 1287 89.275 61.812 48.712 1.00 0.00 WT1 H ATOM 6823 OH2 TIP3 1288 28.358 63.480 13.761 1.00 0.00 WT1 O ATOM 6824 H1 TIP3 1288 27.825 62.892 14.295 1.00 0.00 WT1 H ATOM 6825 H2 TIP3 1288 29.187 63.550 14.234 1.00 0.00 WT1 H ATOM 6826 OH2 TIP3 1289 56.896 78.357 -2.172 1.00 0.00 WT1 O ATOM 6827 H1 TIP3 1289 56.780 77.603 -2.751 1.00 0.00 WT1 H ATOM 6828 H2 TIP3 1289 56.291 78.199 -1.448 1.00 0.00 WT1 H ATOM 6829 OH2 TIP3 1290 88.678 54.560 11.489 1.00 0.00 WT1 O ATOM 6830 H1 TIP3 1290 88.070 54.883 12.154 1.00 0.00 WT1 H ATOM 6831 H2 TIP3 1290 88.345 53.692 11.260 1.00 0.00 WT1 H ATOM 6832 OH2 TIP3 1291 34.394 78.372 12.194 1.00 0.00 WT1 O ATOM 6833 H1 TIP3 1291 34.672 77.467 12.335 1.00 0.00 WT1 H ATOM 6834 H2 TIP3 1291 35.210 78.858 12.076 1.00 0.00 WT1 H ATOM 6835 OH2 TIP3 1292 35.736 67.386 23.838 1.00 0.00 WT1 O ATOM 6836 H1 TIP3 1292 36.689 67.478 23.854 1.00 0.00 WT1 H ATOM 6837 H2 TIP3 1292 35.572 66.522 24.216 1.00 0.00 WT1 H ATOM 6838 OH2 TIP3 1293 47.495 55.411 19.891 1.00 0.00 WT1 O ATOM 6839 H1 TIP3 1293 48.423 55.575 20.060 1.00 0.00 WT1 H ATOM 6840 H2 TIP3 1293 47.486 54.889 19.088 1.00 0.00 WT1 H ATOM 6841 OH2 TIP3 1295 26.158 56.610 6.161 1.00 0.00 WT1 O ATOM 6842 H1 TIP3 1295 27.045 56.737 5.823 1.00 0.00 WT1 H ATOM 6843 H2 TIP3 1295 25.930 57.450 6.558 1.00 0.00 WT1 H ATOM 6844 OH2 TIP3 1296 71.503 59.161 8.731 1.00 0.00 WT1 O ATOM 6845 H1 TIP3 1296 70.948 58.381 8.701 1.00 0.00 WT1 H ATOM 6846 H2 TIP3 1296 70.944 59.866 8.405 1.00 0.00 WT1 H ATOM 6847 OH2 TIP3 1297 87.817 40.597 8.285 1.00 0.00 WT1 O ATOM 6848 H1 TIP3 1297 87.720 40.845 7.366 1.00 0.00 WT1 H ATOM 6849 H2 TIP3 1297 87.414 39.731 8.345 1.00 0.00 WT1 H ATOM 6850 OH2 TIP3 1298 87.098 28.033 -8.862 1.00 0.00 WT1 O ATOM 6851 H1 TIP3 1298 87.614 27.736 -8.113 1.00 0.00 WT1 H ATOM 6852 H2 TIP3 1298 86.701 27.235 -9.212 1.00 0.00 WT1 H ATOM 6853 OH2 TIP3 1299 68.538 59.108 35.938 1.00 0.00 WT1 O ATOM 6854 H1 TIP3 1299 67.984 58.355 36.146 1.00 0.00 WT1 H ATOM 6855 H2 TIP3 1299 67.921 59.827 35.795 1.00 0.00 WT1 H ATOM 6856 OH2 TIP3 1300 47.700 65.726 11.032 1.00 0.00 WT1 O ATOM 6857 H1 TIP3 1300 47.905 65.934 11.943 1.00 0.00 WT1 H ATOM 6858 H2 TIP3 1300 46.744 65.684 11.005 1.00 0.00 WT1 H ATOM 6859 OH2 TIP3 1301 24.602 22.550 31.784 1.00 0.00 WT1 O ATOM 6860 H1 TIP3 1301 25.491 22.723 31.475 1.00 0.00 WT1 H ATOM 6861 H2 TIP3 1301 24.551 21.596 31.849 1.00 0.00 WT1 H ATOM 6862 OH2 TIP3 1302 47.119 36.571 60.579 1.00 0.00 WT1 O ATOM 6863 H1 TIP3 1302 47.044 36.726 61.520 1.00 0.00 WT1 H ATOM 6864 H2 TIP3 1302 47.465 37.391 60.227 1.00 0.00 WT1 H ATOM 6865 OH2 TIP3 1303 42.146 9.241 60.716 1.00 0.00 WT1 O ATOM 6866 H1 TIP3 1303 41.363 8.709 60.576 1.00 0.00 WT1 H ATOM 6867 H2 TIP3 1303 41.824 10.034 61.145 1.00 0.00 WT1 H ATOM 6868 OH2 TIP3 1304 61.706 55.903 -9.259 1.00 0.00 WT1 O ATOM 6869 H1 TIP3 1304 60.988 55.903 -8.625 1.00 0.00 WT1 H ATOM 6870 H2 TIP3 1304 61.548 56.676 -9.800 1.00 0.00 WT1 H ATOM 6871 OH2 TIP3 1305 23.358 24.135 -8.704 1.00 0.00 WT1 O ATOM 6872 H1 TIP3 1305 23.359 24.709 -9.470 1.00 0.00 WT1 H ATOM 6873 H2 TIP3 1305 24.260 23.822 -8.637 1.00 0.00 WT1 H ATOM 6874 OH2 TIP3 1306 41.288 47.858 14.344 1.00 0.00 WT1 O ATOM 6875 H1 TIP3 1306 41.938 47.811 15.045 1.00 0.00 WT1 H ATOM 6876 H2 TIP3 1306 40.774 48.640 14.545 1.00 0.00 WT1 H ATOM 6877 OH2 TIP3 1307 28.816 22.249 -1.650 1.00 0.00 WT1 O ATOM 6878 H1 TIP3 1307 29.138 21.415 -1.992 1.00 0.00 WT1 H ATOM 6879 H2 TIP3 1307 29.565 22.622 -1.185 1.00 0.00 WT1 H ATOM 6880 OH2 TIP3 1308 77.805 38.289 -19.117 1.00 0.00 WT1 O ATOM 6881 H1 TIP3 1308 77.313 37.604 -19.568 1.00 0.00 WT1 H ATOM 6882 H2 TIP3 1308 77.582 39.093 -19.587 1.00 0.00 WT1 H ATOM 6883 OH2 TIP3 1309 65.667 16.715 15.625 1.00 0.00 WT1 O ATOM 6884 H1 TIP3 1309 65.142 17.430 15.266 1.00 0.00 WT1 H ATOM 6885 H2 TIP3 1309 65.092 15.950 15.582 1.00 0.00 WT1 H ATOM 6886 OH2 TIP3 1311 31.272 77.798 35.719 1.00 0.00 WT1 O ATOM 6887 H1 TIP3 1311 31.016 78.707 35.563 1.00 0.00 WT1 H ATOM 6888 H2 TIP3 1311 31.931 77.616 35.048 1.00 0.00 WT1 H ATOM 6889 OH2 TIP3 1312 86.857 8.478 -2.156 1.00 0.00 WT1 O ATOM 6890 H1 TIP3 1312 86.140 8.580 -1.531 1.00 0.00 WT1 H ATOM 6891 H2 TIP3 1312 87.609 8.888 -1.728 1.00 0.00 WT1 H ATOM 6892 OH2 TIP3 1313 86.498 2.214 43.397 1.00 0.00 WT1 O ATOM 6893 H1 TIP3 1313 87.358 1.794 43.418 1.00 0.00 WT1 H ATOM 6894 H2 TIP3 1313 85.881 1.493 43.271 1.00 0.00 WT1 H ATOM 6895 OH2 TIP3 1314 42.339 5.490 13.624 1.00 0.00 WT1 O ATOM 6896 H1 TIP3 1314 42.967 5.985 14.150 1.00 0.00 WT1 H ATOM 6897 H2 TIP3 1314 42.582 4.574 13.761 1.00 0.00 WT1 H ATOM 6898 OH2 TIP3 1315 80.805 71.958 29.106 1.00 0.00 WT1 O ATOM 6899 H1 TIP3 1315 80.345 71.668 29.894 1.00 0.00 WT1 H ATOM 6900 H2 TIP3 1315 81.625 71.465 29.111 1.00 0.00 WT1 H ATOM 6901 OH2 TIP3 1316 39.380 49.022 12.379 1.00 0.00 WT1 O ATOM 6902 H1 TIP3 1316 40.314 48.839 12.481 1.00 0.00 WT1 H ATOM 6903 H2 TIP3 1316 39.324 49.977 12.351 1.00 0.00 WT1 H ATOM 6904 OH2 TIP3 1317 37.887 36.511 38.248 1.00 0.00 WT1 O ATOM 6905 H1 TIP3 1317 37.391 36.299 39.039 1.00 0.00 WT1 H ATOM 6906 H2 TIP3 1317 38.212 37.399 38.400 1.00 0.00 WT1 H ATOM 6907 OH2 TIP3 1319 58.849 66.098 35.474 1.00 0.00 WT1 O ATOM 6908 H1 TIP3 1319 58.492 66.939 35.188 1.00 0.00 WT1 H ATOM 6909 H2 TIP3 1319 58.655 65.498 34.754 1.00 0.00 WT1 H ATOM 6910 OH2 TIP3 1320 35.464 19.646 6.134 1.00 0.00 WT1 O ATOM 6911 H1 TIP3 1320 36.098 19.077 6.571 1.00 0.00 WT1 H ATOM 6912 H2 TIP3 1320 35.587 19.471 5.201 1.00 0.00 WT1 H ATOM 6913 OH2 TIP3 1321 82.516 31.058 10.111 1.00 0.00 WT1 O ATOM 6914 H1 TIP3 1321 81.829 31.021 9.445 1.00 0.00 WT1 H ATOM 6915 H2 TIP3 1321 83.331 31.116 9.612 1.00 0.00 WT1 H ATOM 6916 OH2 TIP3 1322 39.957 7.941 -16.249 1.00 0.00 WT1 O ATOM 6917 H1 TIP3 1322 40.865 7.939 -16.553 1.00 0.00 WT1 H ATOM 6918 H2 TIP3 1322 39.437 7.834 -17.045 1.00 0.00 WT1 H ATOM 6919 OH2 TIP3 1323 77.302 85.981 20.864 1.00 0.00 WT1 O ATOM 6920 H1 TIP3 1323 76.461 85.954 20.408 1.00 0.00 WT1 H ATOM 6921 H2 TIP3 1323 77.071 86.098 21.786 1.00 0.00 WT1 H ATOM 6922 OH2 TIP3 1324 44.277 21.504 0.570 1.00 0.00 WT1 O ATOM 6923 H1 TIP3 1324 44.104 20.883 1.278 1.00 0.00 WT1 H ATOM 6924 H2 TIP3 1324 44.798 22.195 0.978 1.00 0.00 WT1 H ATOM 6925 OH2 TIP3 1325 84.400 57.352 4.885 1.00 0.00 WT1 O ATOM 6926 H1 TIP3 1325 84.288 56.662 5.539 1.00 0.00 WT1 H ATOM 6927 H2 TIP3 1325 83.985 58.121 5.276 1.00 0.00 WT1 H ATOM 6928 OH2 TIP3 1326 69.688 28.677 -8.912 1.00 0.00 WT1 O ATOM 6929 H1 TIP3 1326 69.173 28.138 -8.313 1.00 0.00 WT1 H ATOM 6930 H2 TIP3 1326 69.835 29.494 -8.435 1.00 0.00 WT1 H ATOM 6931 OH2 TIP3 1327 78.759 83.837 -1.335 1.00 0.00 WT1 O ATOM 6932 H1 TIP3 1327 79.562 84.314 -1.545 1.00 0.00 WT1 H ATOM 6933 H2 TIP3 1327 78.063 84.488 -1.424 1.00 0.00 WT1 H ATOM 6934 OH2 TIP3 1328 38.773 9.441 3.619 1.00 0.00 WT1 O ATOM 6935 H1 TIP3 1328 38.670 9.989 2.841 1.00 0.00 WT1 H ATOM 6936 H2 TIP3 1328 38.109 8.758 3.521 1.00 0.00 WT1 H ATOM 6937 OH2 TIP3 1329 76.729 85.625 3.115 1.00 0.00 WT1 O ATOM 6938 H1 TIP3 1329 75.854 85.243 3.189 1.00 0.00 WT1 H ATOM 6939 H2 TIP3 1329 76.576 86.514 2.794 1.00 0.00 WT1 H ATOM 6940 OH2 TIP3 1330 85.256 41.982 -13.173 1.00 0.00 WT1 O ATOM 6941 H1 TIP3 1330 85.175 41.075 -13.469 1.00 0.00 WT1 H ATOM 6942 H2 TIP3 1330 84.454 42.406 -13.477 1.00 0.00 WT1 H ATOM 6943 OH2 TIP3 1332 38.977 34.113 66.035 1.00 0.00 WT1 O ATOM 6944 H1 TIP3 1332 38.360 33.626 65.489 1.00 0.00 WT1 H ATOM 6945 H2 TIP3 1332 39.361 34.761 65.444 1.00 0.00 WT1 H ATOM 6946 OH2 TIP3 1333 58.713 94.442 34.077 1.00 0.00 WT1 O ATOM 6947 H1 TIP3 1333 57.828 94.145 33.866 1.00 0.00 WT1 H ATOM 6948 H2 TIP3 1333 58.774 94.359 35.028 1.00 0.00 WT1 H ATOM 6949 OH2 TIP3 1334 48.215 5.205 11.879 1.00 0.00 WT1 O ATOM 6950 H1 TIP3 1334 47.682 5.518 12.610 1.00 0.00 WT1 H ATOM 6951 H2 TIP3 1334 48.281 5.956 11.290 1.00 0.00 WT1 H ATOM 6952 OH2 TIP3 1335 66.298 34.572 59.105 1.00 0.00 WT1 O ATOM 6953 H1 TIP3 1335 65.424 34.831 59.397 1.00 0.00 WT1 H ATOM 6954 H2 TIP3 1335 66.145 33.828 58.522 1.00 0.00 WT1 H ATOM 6955 OH2 TIP3 1336 52.713 46.562 39.186 1.00 0.00 WT1 O ATOM 6956 H1 TIP3 1336 53.491 47.100 39.038 1.00 0.00 WT1 H ATOM 6957 H2 TIP3 1336 52.193 47.061 39.816 1.00 0.00 WT1 H ATOM 6958 OH2 TIP3 1337 25.721 3.539 1.268 1.00 0.00 WT1 O ATOM 6959 H1 TIP3 1337 25.430 2.627 1.259 1.00 0.00 WT1 H ATOM 6960 H2 TIP3 1337 25.038 4.004 1.751 1.00 0.00 WT1 H ATOM 6961 OH2 TIP3 1338 50.315 32.693 49.396 1.00 0.00 WT1 O ATOM 6962 H1 TIP3 1338 50.796 33.413 48.987 1.00 0.00 WT1 H ATOM 6963 H2 TIP3 1338 50.711 31.902 49.030 1.00 0.00 WT1 H ATOM 6964 OH2 TIP3 1339 63.220 34.433 59.743 1.00 0.00 WT1 O ATOM 6965 H1 TIP3 1339 62.270 34.404 59.859 1.00 0.00 WT1 H ATOM 6966 H2 TIP3 1339 63.478 35.289 60.086 1.00 0.00 WT1 H ATOM 6967 OH2 TIP3 1340 79.555 24.965 -1.674 1.00 0.00 WT1 O ATOM 6968 H1 TIP3 1340 79.058 24.323 -2.182 1.00 0.00 WT1 H ATOM 6969 H2 TIP3 1340 80.471 24.738 -1.831 1.00 0.00 WT1 H ATOM 6970 OH2 TIP3 1342 37.255 11.090 32.041 1.00 0.00 WT1 O ATOM 6971 H1 TIP3 1342 36.579 11.242 31.380 1.00 0.00 WT1 H ATOM 6972 H2 TIP3 1342 36.863 11.394 32.859 1.00 0.00 WT1 H ATOM 6973 OH2 TIP3 1343 24.184 3.480 -0.949 1.00 0.00 WT1 O ATOM 6974 H1 TIP3 1343 24.781 3.437 -0.202 1.00 0.00 WT1 H ATOM 6975 H2 TIP3 1343 24.669 3.074 -1.667 1.00 0.00 WT1 H ATOM 6976 OH2 TIP3 1344 89.752 46.856 61.732 1.00 0.00 WT1 O ATOM 6977 H1 TIP3 1344 89.475 47.241 60.900 1.00 0.00 WT1 H ATOM 6978 H2 TIP3 1344 88.940 46.555 62.139 1.00 0.00 WT1 H ATOM 6979 OH2 TIP3 1345 65.281 58.125 54.050 1.00 0.00 WT1 O ATOM 6980 H1 TIP3 1345 64.780 58.344 53.265 1.00 0.00 WT1 H ATOM 6981 H2 TIP3 1345 66.098 58.616 53.958 1.00 0.00 WT1 H ATOM 6982 OH2 TIP3 1346 40.375 22.848 54.788 1.00 0.00 WT1 O ATOM 6983 H1 TIP3 1346 40.041 22.687 53.906 1.00 0.00 WT1 H ATOM 6984 H2 TIP3 1346 41.145 23.401 54.656 1.00 0.00 WT1 H ATOM 6985 OH2 TIP3 1347 59.157 2.622 23.374 1.00 0.00 WT1 O ATOM 6986 H1 TIP3 1347 59.431 2.281 22.522 1.00 0.00 WT1 H ATOM 6987 H2 TIP3 1347 59.976 2.825 23.825 1.00 0.00 WT1 H ATOM 6988 OH2 TIP3 1348 38.081 65.733 39.868 1.00 0.00 WT1 O ATOM 6989 H1 TIP3 1348 38.283 65.294 40.694 1.00 0.00 WT1 H ATOM 6990 H2 TIP3 1348 38.865 66.246 39.671 1.00 0.00 WT1 H ATOM 6991 OH2 TIP3 1349 85.281 64.349 -11.806 1.00 0.00 WT1 O ATOM 6992 H1 TIP3 1349 84.503 64.446 -12.356 1.00 0.00 WT1 H ATOM 6993 H2 TIP3 1349 85.149 63.520 -11.347 1.00 0.00 WT1 H ATOM 6994 OH2 TIP3 1350 54.300 58.118 53.842 1.00 0.00 WT1 O ATOM 6995 H1 TIP3 1350 53.533 58.433 53.363 1.00 0.00 WT1 H ATOM 6996 H2 TIP3 1350 54.777 57.585 53.205 1.00 0.00 WT1 H ATOM 6997 OH2 TIP3 1351 51.468 33.950 39.064 1.00 0.00 WT1 O ATOM 6998 H1 TIP3 1351 51.039 34.110 38.223 1.00 0.00 WT1 H ATOM 6999 H2 TIP3 1351 52.394 34.126 38.897 1.00 0.00 WT1 H ATOM 7000 OH2 TIP3 1352 64.092 74.233 42.062 1.00 0.00 WT1 O ATOM 7001 H1 TIP3 1352 64.685 73.614 41.637 1.00 0.00 WT1 H ATOM 7002 H2 TIP3 1352 63.880 74.869 41.379 1.00 0.00 WT1 H ATOM 7003 OH2 TIP3 1353 79.192 48.373 -17.884 1.00 0.00 WT1 O ATOM 7004 H1 TIP3 1353 79.874 48.738 -17.321 1.00 0.00 WT1 H ATOM 7005 H2 TIP3 1353 78.393 48.828 -17.619 1.00 0.00 WT1 H ATOM 7006 OH2 TIP3 1354 60.521 37.818 61.461 1.00 0.00 WT1 O ATOM 7007 H1 TIP3 1354 60.611 38.570 60.875 1.00 0.00 WT1 H ATOM 7008 H2 TIP3 1354 60.671 38.176 62.336 1.00 0.00 WT1 H ATOM 7009 OH2 TIP3 1355 46.170 33.770 61.047 1.00 0.00 WT1 O ATOM 7010 H1 TIP3 1355 46.651 34.558 60.794 1.00 0.00 WT1 H ATOM 7011 H2 TIP3 1355 46.015 33.874 61.986 1.00 0.00 WT1 H ATOM 7012 OH2 TIP3 1356 63.978 32.006 4.988 1.00 0.00 WT1 O ATOM 7013 H1 TIP3 1356 63.135 32.429 4.823 1.00 0.00 WT1 H ATOM 7014 H2 TIP3 1356 63.885 31.617 5.858 1.00 0.00 WT1 H ATOM 7015 OH2 TIP3 1357 43.670 71.759 51.414 1.00 0.00 WT1 O ATOM 7016 H1 TIP3 1357 43.045 72.466 51.575 1.00 0.00 WT1 H ATOM 7017 H2 TIP3 1357 43.226 71.185 50.789 1.00 0.00 WT1 H ATOM 7018 OH2 TIP3 1358 20.271 39.103 26.099 1.00 0.00 WT1 O ATOM 7019 H1 TIP3 1358 21.124 38.880 25.725 1.00 0.00 WT1 H ATOM 7020 H2 TIP3 1358 19.638 38.805 25.446 1.00 0.00 WT1 H ATOM 7021 OH2 TIP3 1359 89.488 88.321 -1.414 1.00 0.00 WT1 O ATOM 7022 H1 TIP3 1359 89.950 87.833 -0.732 1.00 0.00 WT1 H ATOM 7023 H2 TIP3 1359 88.561 88.165 -1.235 1.00 0.00 WT1 H ATOM 7024 OH2 TIP3 1360 73.746 14.931 47.885 1.00 0.00 WT1 O ATOM 7025 H1 TIP3 1360 73.430 15.420 48.645 1.00 0.00 WT1 H ATOM 7026 H2 TIP3 1360 73.071 14.272 47.726 1.00 0.00 WT1 H ATOM 7027 OH2 TIP3 1361 72.721 47.623 22.964 1.00 0.00 WT1 O ATOM 7028 H1 TIP3 1361 72.369 48.343 22.439 1.00 0.00 WT1 H ATOM 7029 H2 TIP3 1361 72.218 47.651 23.777 1.00 0.00 WT1 H ATOM 7030 OH2 TIP3 1362 51.505 4.751 -7.675 1.00 0.00 WT1 O ATOM 7031 H1 TIP3 1362 50.934 4.399 -8.358 1.00 0.00 WT1 H ATOM 7032 H2 TIP3 1362 52.161 4.068 -7.536 1.00 0.00 WT1 H ATOM 7033 OH2 TIP3 1363 63.626 43.231 41.362 1.00 0.00 WT1 O ATOM 7034 H1 TIP3 1363 63.727 43.886 40.671 1.00 0.00 WT1 H ATOM 7035 H2 TIP3 1363 64.089 42.460 41.030 1.00 0.00 WT1 H ATOM 7036 OH2 TIP3 1364 25.131 33.730 55.903 1.00 0.00 WT1 O ATOM 7037 H1 TIP3 1364 24.795 34.302 55.214 1.00 0.00 WT1 H ATOM 7038 H2 TIP3 1364 26.074 33.896 55.914 1.00 0.00 WT1 H ATOM 7039 OH2 TIP3 1365 59.876 5.038 49.543 1.00 0.00 WT1 O ATOM 7040 H1 TIP3 1365 59.329 4.287 49.313 1.00 0.00 WT1 H ATOM 7041 H2 TIP3 1365 60.773 4.735 49.399 1.00 0.00 WT1 H ATOM 7042 OH2 TIP3 1366 34.995 78.747 15.479 1.00 0.00 WT1 O ATOM 7043 H1 TIP3 1366 34.777 79.560 15.023 1.00 0.00 WT1 H ATOM 7044 H2 TIP3 1366 34.878 78.954 16.406 1.00 0.00 WT1 H ATOM 7045 OH2 TIP3 1367 83.595 93.028 49.212 1.00 0.00 WT1 O ATOM 7046 H1 TIP3 1367 83.751 93.078 50.155 1.00 0.00 WT1 H ATOM 7047 H2 TIP3 1367 84.197 93.671 48.836 1.00 0.00 WT1 H ATOM 7048 OH2 TIP3 1368 80.907 28.647 50.041 1.00 0.00 WT1 O ATOM 7049 H1 TIP3 1368 81.779 28.797 50.406 1.00 0.00 WT1 H ATOM 7050 H2 TIP3 1368 81.051 28.038 49.317 1.00 0.00 WT1 H ATOM 7051 OH2 TIP3 1369 55.735 81.190 27.018 1.00 0.00 WT1 O ATOM 7052 H1 TIP3 1369 55.381 81.737 27.719 1.00 0.00 WT1 H ATOM 7053 H2 TIP3 1369 55.132 81.318 26.286 1.00 0.00 WT1 H ATOM 7054 OH2 TIP3 1370 75.595 2.922 48.470 1.00 0.00 WT1 O ATOM 7055 H1 TIP3 1370 74.658 2.778 48.600 1.00 0.00 WT1 H ATOM 7056 H2 TIP3 1370 75.889 2.160 47.971 1.00 0.00 WT1 H ATOM 7057 OH2 TIP3 1371 31.048 27.279 -16.216 1.00 0.00 WT1 O ATOM 7058 H1 TIP3 1371 30.183 27.690 -16.231 1.00 0.00 WT1 H ATOM 7059 H2 TIP3 1371 31.548 27.794 -15.583 1.00 0.00 WT1 H ATOM 7060 OH2 TIP3 1372 64.889 26.511 -15.125 1.00 0.00 WT1 O ATOM 7061 H1 TIP3 1372 64.253 26.107 -15.716 1.00 0.00 WT1 H ATOM 7062 H2 TIP3 1372 64.986 25.882 -14.410 1.00 0.00 WT1 H ATOM 7063 OH2 TIP3 1373 62.105 50.256 -3.453 1.00 0.00 WT1 O ATOM 7064 H1 TIP3 1373 61.796 49.356 -3.559 1.00 0.00 WT1 H ATOM 7065 H2 TIP3 1373 61.306 50.774 -3.353 1.00 0.00 WT1 H ATOM 7066 OH2 TIP3 1374 53.386 5.239 -2.674 1.00 0.00 WT1 O ATOM 7067 H1 TIP3 1374 53.407 4.677 -3.449 1.00 0.00 WT1 H ATOM 7068 H2 TIP3 1374 52.560 5.717 -2.746 1.00 0.00 WT1 H ATOM 7069 OH2 TIP3 1375 72.112 45.577 -1.222 1.00 0.00 WT1 O ATOM 7070 H1 TIP3 1375 71.532 46.310 -1.016 1.00 0.00 WT1 H ATOM 7071 H2 TIP3 1375 72.576 45.853 -2.012 1.00 0.00 WT1 H ATOM 7072 OH2 TIP3 1376 62.925 64.047 58.700 1.00 0.00 WT1 O ATOM 7073 H1 TIP3 1376 62.061 64.288 58.366 1.00 0.00 WT1 H ATOM 7074 H2 TIP3 1376 62.900 63.092 58.763 1.00 0.00 WT1 H ATOM 7075 OH2 TIP3 1377 71.224 72.088 -3.080 1.00 0.00 WT1 O ATOM 7076 H1 TIP3 1377 71.473 71.484 -3.780 1.00 0.00 WT1 H ATOM 7077 H2 TIP3 1377 70.273 72.167 -3.159 1.00 0.00 WT1 H ATOM 7078 OH2 TIP3 1378 23.363 33.059 9.613 1.00 0.00 WT1 O ATOM 7079 H1 TIP3 1378 23.410 33.928 10.010 1.00 0.00 WT1 H ATOM 7080 H2 TIP3 1378 24.207 32.656 9.816 1.00 0.00 WT1 H ATOM 7081 OH2 TIP3 1379 26.044 3.959 28.596 1.00 0.00 WT1 O ATOM 7082 H1 TIP3 1379 25.550 3.157 28.764 1.00 0.00 WT1 H ATOM 7083 H2 TIP3 1379 26.769 3.682 28.037 1.00 0.00 WT1 H ATOM 7084 OH2 TIP3 1380 50.759 94.342 38.963 1.00 0.00 WT1 O ATOM 7085 H1 TIP3 1380 51.007 93.715 38.284 1.00 0.00 WT1 H ATOM 7086 H2 TIP3 1380 50.110 93.878 39.492 1.00 0.00 WT1 H ATOM 7087 OH2 TIP3 1381 87.622 12.653 61.198 1.00 0.00 WT1 O ATOM 7088 H1 TIP3 1381 87.703 13.132 62.023 1.00 0.00 WT1 H ATOM 7089 H2 TIP3 1381 88.301 13.027 60.636 1.00 0.00 WT1 H ATOM 7090 OH2 TIP3 1382 77.321 76.855 56.158 1.00 0.00 WT1 O ATOM 7091 H1 TIP3 1382 76.866 77.520 56.674 1.00 0.00 WT1 H ATOM 7092 H2 TIP3 1382 76.813 76.788 55.350 1.00 0.00 WT1 H ATOM 7093 OH2 TIP3 1383 85.025 95.624 57.241 1.00 0.00 WT1 O ATOM 7094 H1 TIP3 1383 84.388 94.936 57.050 1.00 0.00 WT1 H ATOM 7095 H2 TIP3 1383 84.520 96.436 57.201 1.00 0.00 WT1 H ATOM 7096 OH2 TIP3 1384 60.669 16.036 3.484 1.00 0.00 WT1 O ATOM 7097 H1 TIP3 1384 60.462 16.310 2.591 1.00 0.00 WT1 H ATOM 7098 H2 TIP3 1384 61.127 16.785 3.865 1.00 0.00 WT1 H ATOM 7099 OH2 TIP3 1385 44.217 74.024 1.645 1.00 0.00 WT1 O ATOM 7100 H1 TIP3 1385 43.952 73.626 2.475 1.00 0.00 WT1 H ATOM 7101 H2 TIP3 1385 44.780 73.368 1.234 1.00 0.00 WT1 H ATOM 7102 OH2 TIP3 1387 83.986 18.859 2.975 1.00 0.00 WT1 O ATOM 7103 H1 TIP3 1387 84.849 18.958 3.376 1.00 0.00 WT1 H ATOM 7104 H2 TIP3 1387 83.888 19.634 2.421 1.00 0.00 WT1 H ATOM 7105 OH2 TIP3 1388 33.462 84.182 9.486 1.00 0.00 WT1 O ATOM 7106 H1 TIP3 1388 32.527 84.193 9.283 1.00 0.00 WT1 H ATOM 7107 H2 TIP3 1388 33.730 83.275 9.335 1.00 0.00 WT1 H ATOM 7108 OH2 TIP3 1389 82.659 94.253 -14.008 1.00 0.00 WT1 O ATOM 7109 H1 TIP3 1389 82.629 94.706 -13.165 1.00 0.00 WT1 H ATOM 7110 H2 TIP3 1389 83.258 93.520 -13.864 1.00 0.00 WT1 H ATOM 7111 OH2 TIP3 1390 42.852 29.172 30.960 1.00 0.00 WT1 O ATOM 7112 H1 TIP3 1390 41.997 29.588 31.072 1.00 0.00 WT1 H ATOM 7113 H2 TIP3 1390 42.967 29.111 30.012 1.00 0.00 WT1 H ATOM 7114 OH2 TIP3 1391 56.212 69.000 30.946 1.00 0.00 WT1 O ATOM 7115 H1 TIP3 1391 56.148 69.091 31.896 1.00 0.00 WT1 H ATOM 7116 H2 TIP3 1391 55.879 69.829 30.603 1.00 0.00 WT1 H ATOM 7117 OH2 TIP3 1392 29.363 62.412 5.802 1.00 0.00 WT1 O ATOM 7118 H1 TIP3 1392 30.221 62.387 5.377 1.00 0.00 WT1 H ATOM 7119 H2 TIP3 1392 29.324 63.276 6.211 1.00 0.00 WT1 H ATOM 7120 OH2 TIP3 1393 31.133 90.012 66.056 1.00 0.00 WT1 O ATOM 7121 H1 TIP3 1393 31.070 90.922 66.346 1.00 0.00 WT1 H ATOM 7122 H2 TIP3 1393 32.063 89.884 65.870 1.00 0.00 WT1 H ATOM 7123 OH2 TIP3 1394 65.127 95.662 57.644 1.00 0.00 WT1 O ATOM 7124 H1 TIP3 1394 65.715 95.667 56.889 1.00 0.00 WT1 H ATOM 7125 H2 TIP3 1394 65.508 95.018 58.242 1.00 0.00 WT1 H ATOM 7126 OH2 TIP3 1395 48.202 19.189 15.815 1.00 0.00 WT1 O ATOM 7127 H1 TIP3 1395 48.233 19.884 16.473 1.00 0.00 WT1 H ATOM 7128 H2 TIP3 1395 48.309 19.645 14.980 1.00 0.00 WT1 H ATOM 7129 OH2 TIP3 1396 26.655 77.330 16.568 1.00 0.00 WT1 O ATOM 7130 H1 TIP3 1396 25.779 77.708 16.487 1.00 0.00 WT1 H ATOM 7131 H2 TIP3 1396 26.503 76.394 16.691 1.00 0.00 WT1 H ATOM 7132 OH2 TIP3 1397 29.153 4.982 33.732 1.00 0.00 WT1 O ATOM 7133 H1 TIP3 1397 29.909 4.455 33.471 1.00 0.00 WT1 H ATOM 7134 H2 TIP3 1397 29.116 5.685 33.084 1.00 0.00 WT1 H ATOM 7135 OH2 TIP3 1398 40.996 75.509 13.371 1.00 0.00 WT1 O ATOM 7136 H1 TIP3 1398 40.714 75.817 14.232 1.00 0.00 WT1 H ATOM 7137 H2 TIP3 1398 41.267 74.603 13.516 1.00 0.00 WT1 H ATOM 7138 OH2 TIP3 1399 61.295 79.302 42.387 1.00 0.00 WT1 O ATOM 7139 H1 TIP3 1399 61.932 78.607 42.222 1.00 0.00 WT1 H ATOM 7140 H2 TIP3 1399 60.445 78.864 42.344 1.00 0.00 WT1 H ATOM 7141 OH2 TIP3 1400 85.508 71.378 9.011 1.00 0.00 WT1 O ATOM 7142 H1 TIP3 1400 84.964 71.200 8.243 1.00 0.00 WT1 H ATOM 7143 H2 TIP3 1400 85.814 70.516 9.293 1.00 0.00 WT1 H ATOM 7144 OH2 TIP3 1401 72.082 38.547 11.079 1.00 0.00 WT1 O ATOM 7145 H1 TIP3 1401 72.459 39.402 11.286 1.00 0.00 WT1 H ATOM 7146 H2 TIP3 1401 71.495 38.360 11.812 1.00 0.00 WT1 H ATOM 7147 OH2 TIP3 1402 22.548 13.108 4.290 1.00 0.00 WT1 O ATOM 7148 H1 TIP3 1402 23.391 13.483 4.545 1.00 0.00 WT1 H ATOM 7149 H2 TIP3 1402 22.146 12.839 5.116 1.00 0.00 WT1 H ATOM 7150 OH2 TIP3 1403 70.216 43.834 -2.258 1.00 0.00 WT1 O ATOM 7151 H1 TIP3 1403 70.743 43.035 -2.241 1.00 0.00 WT1 H ATOM 7152 H2 TIP3 1403 70.760 44.490 -1.822 1.00 0.00 WT1 H ATOM 7153 OH2 TIP3 1404 39.118 77.141 29.928 1.00 0.00 WT1 O ATOM 7154 H1 TIP3 1404 39.309 76.867 30.825 1.00 0.00 WT1 H ATOM 7155 H2 TIP3 1404 39.909 76.921 29.436 1.00 0.00 WT1 H ATOM 7156 OH2 TIP3 1405 20.510 78.401 -11.266 1.00 0.00 WT1 O ATOM 7157 H1 TIP3 1405 21.299 78.940 -11.331 1.00 0.00 WT1 H ATOM 7158 H2 TIP3 1405 19.825 79.012 -10.993 1.00 0.00 WT1 H ATOM 7159 OH2 TIP3 1406 41.727 26.570 -17.522 1.00 0.00 WT1 O ATOM 7160 H1 TIP3 1406 41.384 26.217 -18.343 1.00 0.00 WT1 H ATOM 7161 H2 TIP3 1406 41.024 26.429 -16.888 1.00 0.00 WT1 H ATOM 7162 OH2 TIP3 1407 77.988 20.737 45.081 1.00 0.00 WT1 O ATOM 7163 H1 TIP3 1407 77.236 20.260 45.433 1.00 0.00 WT1 H ATOM 7164 H2 TIP3 1407 78.471 20.083 44.575 1.00 0.00 WT1 H ATOM 7165 OH2 TIP3 1408 23.951 50.332 30.501 1.00 0.00 WT1 O ATOM 7166 H1 TIP3 1408 23.328 51.054 30.415 1.00 0.00 WT1 H ATOM 7167 H2 TIP3 1408 23.735 49.740 29.781 1.00 0.00 WT1 H ATOM 7168 OH2 TIP3 1409 82.379 32.490 20.916 1.00 0.00 WT1 O ATOM 7169 H1 TIP3 1409 82.763 32.508 21.792 1.00 0.00 WT1 H ATOM 7170 H2 TIP3 1409 82.556 33.360 20.558 1.00 0.00 WT1 H ATOM 7171 OH2 TIP3 1410 24.839 7.025 58.452 1.00 0.00 WT1 O ATOM 7172 H1 TIP3 1410 24.895 7.857 58.923 1.00 0.00 WT1 H ATOM 7173 H2 TIP3 1410 25.743 6.830 58.202 1.00 0.00 WT1 H ATOM 7174 OH2 TIP3 1411 25.509 78.651 50.419 1.00 0.00 WT1 O ATOM 7175 H1 TIP3 1411 25.512 77.920 49.801 1.00 0.00 WT1 H ATOM 7176 H2 TIP3 1411 24.616 78.669 50.765 1.00 0.00 WT1 H ATOM 7177 OH2 TIP3 1412 43.690 79.911 4.103 1.00 0.00 WT1 O ATOM 7178 H1 TIP3 1412 44.503 79.665 4.544 1.00 0.00 WT1 H ATOM 7179 H2 TIP3 1412 43.835 79.681 3.185 1.00 0.00 WT1 H ATOM 7180 OH2 TIP3 1413 55.584 94.272 25.505 1.00 0.00 WT1 O ATOM 7181 H1 TIP3 1413 56.272 94.268 26.170 1.00 0.00 WT1 H ATOM 7182 H2 TIP3 1413 54.930 94.886 25.839 1.00 0.00 WT1 H ATOM 7183 OH2 TIP3 1414 34.832 94.540 -16.250 1.00 0.00 WT1 O ATOM 7184 H1 TIP3 1414 35.000 95.402 -15.869 1.00 0.00 WT1 H ATOM 7185 H2 TIP3 1414 35.463 94.466 -16.965 1.00 0.00 WT1 H ATOM 7186 OH2 TIP3 1415 74.846 30.650 24.417 1.00 0.00 WT1 O ATOM 7187 H1 TIP3 1415 75.320 31.479 24.484 1.00 0.00 WT1 H ATOM 7188 H2 TIP3 1415 75.376 30.029 24.916 1.00 0.00 WT1 H ATOM 7189 OH2 TIP3 1416 48.695 55.475 0.719 1.00 0.00 WT1 O ATOM 7190 H1 TIP3 1416 48.745 56.241 1.290 1.00 0.00 WT1 H ATOM 7191 H2 TIP3 1416 49.436 54.929 0.985 1.00 0.00 WT1 H ATOM 7192 OH2 TIP3 1417 52.012 47.526 65.054 1.00 0.00 WT1 O ATOM 7193 H1 TIP3 1417 51.525 46.943 64.471 1.00 0.00 WT1 H ATOM 7194 H2 TIP3 1417 51.576 48.373 64.965 1.00 0.00 WT1 H ATOM 7195 OH2 TIP3 1418 25.897 77.678 -0.741 1.00 0.00 WT1 O ATOM 7196 H1 TIP3 1418 26.657 77.099 -0.804 1.00 0.00 WT1 H ATOM 7197 H2 TIP3 1418 26.266 78.561 -0.750 1.00 0.00 WT1 H ATOM 7198 OH2 TIP3 1419 74.231 42.406 61.325 1.00 0.00 WT1 O ATOM 7199 H1 TIP3 1419 74.152 43.333 61.550 1.00 0.00 WT1 H ATOM 7200 H2 TIP3 1419 73.453 42.000 61.705 1.00 0.00 WT1 H ATOM 7201 OH2 TIP3 1421 29.148 60.139 56.003 1.00 0.00 WT1 O ATOM 7202 H1 TIP3 1421 28.651 60.747 56.549 1.00 0.00 WT1 H ATOM 7203 H2 TIP3 1421 29.725 60.699 55.483 1.00 0.00 WT1 H ATOM 7204 OH2 TIP3 1422 52.991 1.545 43.364 1.00 0.00 WT1 O ATOM 7205 H1 TIP3 1422 53.500 1.241 42.612 1.00 0.00 WT1 H ATOM 7206 H2 TIP3 1422 53.441 2.338 43.653 1.00 0.00 WT1 H ATOM 7207 OH2 TIP3 1423 26.812 16.923 -2.853 1.00 0.00 WT1 O ATOM 7208 H1 TIP3 1423 26.663 17.682 -2.289 1.00 0.00 WT1 H ATOM 7209 H2 TIP3 1423 27.637 17.114 -3.299 1.00 0.00 WT1 H ATOM 7210 OH2 TIP3 1424 35.856 93.514 47.949 1.00 0.00 WT1 O ATOM 7211 H1 TIP3 1424 36.656 93.951 47.658 1.00 0.00 WT1 H ATOM 7212 H2 TIP3 1424 35.338 94.208 48.356 1.00 0.00 WT1 H ATOM 7213 OH2 TIP3 1426 26.404 32.115 -11.648 1.00 0.00 WT1 O ATOM 7214 H1 TIP3 1426 26.079 32.992 -11.854 1.00 0.00 WT1 H ATOM 7215 H2 TIP3 1426 25.678 31.692 -11.189 1.00 0.00 WT1 H ATOM 7216 OH2 TIP3 1428 44.045 3.825 -0.347 1.00 0.00 WT1 O ATOM 7217 H1 TIP3 1428 43.254 4.320 -0.564 1.00 0.00 WT1 H ATOM 7218 H2 TIP3 1428 43.721 3.022 0.061 1.00 0.00 WT1 H ATOM 7219 OH2 TIP3 1429 66.089 22.014 10.925 1.00 0.00 WT1 O ATOM 7220 H1 TIP3 1429 66.305 21.998 11.857 1.00 0.00 WT1 H ATOM 7221 H2 TIP3 1429 65.190 22.342 10.892 1.00 0.00 WT1 H ATOM 7222 OH2 TIP3 1430 76.521 25.767 -1.976 1.00 0.00 WT1 O ATOM 7223 H1 TIP3 1430 76.349 26.500 -2.567 1.00 0.00 WT1 H ATOM 7224 H2 TIP3 1430 77.476 25.707 -1.939 1.00 0.00 WT1 H ATOM 7225 OH2 TIP3 1431 20.734 41.192 42.617 1.00 0.00 WT1 O ATOM 7226 H1 TIP3 1431 21.280 41.481 41.886 1.00 0.00 WT1 H ATOM 7227 H2 TIP3 1431 20.232 41.968 42.864 1.00 0.00 WT1 H ATOM 7228 OH2 TIP3 1432 25.341 20.056 32.939 1.00 0.00 WT1 O ATOM 7229 H1 TIP3 1432 25.582 19.130 32.978 1.00 0.00 WT1 H ATOM 7230 H2 TIP3 1432 24.976 20.245 33.803 1.00 0.00 WT1 H ATOM 7231 OH2 TIP3 1433 35.230 23.296 25.415 1.00 0.00 WT1 O ATOM 7232 H1 TIP3 1433 34.939 23.213 26.323 1.00 0.00 WT1 H ATOM 7233 H2 TIP3 1433 34.878 24.138 25.126 1.00 0.00 WT1 H ATOM 7234 OH2 TIP3 1434 30.447 37.321 49.905 1.00 0.00 WT1 O ATOM 7235 H1 TIP3 1434 30.007 36.532 49.589 1.00 0.00 WT1 H ATOM 7236 H2 TIP3 1434 31.318 37.021 50.168 1.00 0.00 WT1 H ATOM 7237 OH2 TIP3 1435 81.234 93.765 11.130 1.00 0.00 WT1 O ATOM 7238 H1 TIP3 1435 81.604 93.064 10.594 1.00 0.00 WT1 H ATOM 7239 H2 TIP3 1435 81.098 93.364 11.988 1.00 0.00 WT1 H ATOM 7240 OH2 TIP3 1436 36.591 56.930 34.166 1.00 0.00 WT1 O ATOM 7241 H1 TIP3 1436 36.414 57.654 34.767 1.00 0.00 WT1 H ATOM 7242 H2 TIP3 1436 37.454 56.608 34.426 1.00 0.00 WT1 H ATOM 7243 OH2 TIP3 1437 54.429 82.087 17.313 1.00 0.00 WT1 O ATOM 7244 H1 TIP3 1437 54.056 82.962 17.201 1.00 0.00 WT1 H ATOM 7245 H2 TIP3 1437 53.974 81.548 16.666 1.00 0.00 WT1 H ATOM 7246 OH2 TIP3 1438 86.029 80.121 8.024 1.00 0.00 WT1 O ATOM 7247 H1 TIP3 1438 85.526 79.872 7.249 1.00 0.00 WT1 H ATOM 7248 H2 TIP3 1438 86.051 79.329 8.562 1.00 0.00 WT1 H ATOM 7249 OH2 TIP3 1439 26.639 35.924 -6.798 1.00 0.00 WT1 O ATOM 7250 H1 TIP3 1439 26.382 35.371 -7.535 1.00 0.00 WT1 H ATOM 7251 H2 TIP3 1439 26.774 36.790 -7.183 1.00 0.00 WT1 H ATOM 7252 OH2 TIP3 1440 65.443 41.583 45.335 1.00 0.00 WT1 O ATOM 7253 H1 TIP3 1440 65.402 42.295 44.696 1.00 0.00 WT1 H ATOM 7254 H2 TIP3 1440 64.673 41.713 45.889 1.00 0.00 WT1 H ATOM 7255 OH2 TIP3 1441 79.180 38.098 16.628 1.00 0.00 WT1 O ATOM 7256 H1 TIP3 1441 78.425 37.965 17.201 1.00 0.00 WT1 H ATOM 7257 H2 TIP3 1441 79.529 37.218 16.483 1.00 0.00 WT1 H ATOM 7258 OH2 TIP3 1442 56.858 11.123 30.201 1.00 0.00 WT1 O ATOM 7259 H1 TIP3 1442 56.723 11.395 31.109 1.00 0.00 WT1 H ATOM 7260 H2 TIP3 1442 56.980 11.942 29.721 1.00 0.00 WT1 H ATOM 7261 OH2 TIP3 1443 41.897 5.470 10.560 1.00 0.00 WT1 O ATOM 7262 H1 TIP3 1443 41.001 5.359 10.243 1.00 0.00 WT1 H ATOM 7263 H2 TIP3 1443 41.800 5.646 11.496 1.00 0.00 WT1 H ATOM 7264 OH2 TIP3 1444 27.480 84.889 18.431 1.00 0.00 WT1 O ATOM 7265 H1 TIP3 1444 27.945 84.505 17.687 1.00 0.00 WT1 H ATOM 7266 H2 TIP3 1444 28.092 85.530 18.791 1.00 0.00 WT1 H ATOM 7267 OH2 TIP3 1445 27.791 62.990 34.980 1.00 0.00 WT1 O ATOM 7268 H1 TIP3 1445 26.896 63.274 34.796 1.00 0.00 WT1 H ATOM 7269 H2 TIP3 1445 28.330 63.468 34.350 1.00 0.00 WT1 H ATOM 7270 OH2 TIP3 1446 33.402 21.553 54.422 1.00 0.00 WT1 O ATOM 7271 H1 TIP3 1446 33.789 22.428 54.471 1.00 0.00 WT1 H ATOM 7272 H2 TIP3 1446 34.153 20.960 54.393 1.00 0.00 WT1 H ATOM 7273 OH2 TIP3 1447 66.327 38.781 50.099 1.00 0.00 WT1 O ATOM 7274 H1 TIP3 1447 65.478 38.341 50.136 1.00 0.00 WT1 H ATOM 7275 H2 TIP3 1447 66.777 38.372 49.360 1.00 0.00 WT1 H ATOM 7276 OH2 TIP3 1448 30.378 43.184 14.790 1.00 0.00 WT1 O ATOM 7277 H1 TIP3 1448 30.581 42.882 15.675 1.00 0.00 WT1 H ATOM 7278 H2 TIP3 1448 31.169 42.998 14.285 1.00 0.00 WT1 H ATOM 7279 OH2 TIP3 1449 29.955 86.092 42.374 1.00 0.00 WT1 O ATOM 7280 H1 TIP3 1449 30.884 85.965 42.566 1.00 0.00 WT1 H ATOM 7281 H2 TIP3 1449 29.674 85.263 41.989 1.00 0.00 WT1 H ATOM 7282 OH2 TIP3 1450 66.128 22.257 2.784 1.00 0.00 WT1 O ATOM 7283 H1 TIP3 1450 65.330 22.761 2.627 1.00 0.00 WT1 H ATOM 7284 H2 TIP3 1450 65.985 21.841 3.634 1.00 0.00 WT1 H ATOM 7285 OH2 TIP3 1451 56.384 27.363 53.532 1.00 0.00 WT1 O ATOM 7286 H1 TIP3 1451 55.449 27.166 53.590 1.00 0.00 WT1 H ATOM 7287 H2 TIP3 1451 56.513 27.650 52.628 1.00 0.00 WT1 H ATOM 7288 OH2 TIP3 1453 37.364 38.252 65.583 1.00 0.00 WT1 O ATOM 7289 H1 TIP3 1453 37.331 38.389 66.530 1.00 0.00 WT1 H ATOM 7290 H2 TIP3 1453 36.542 37.808 65.375 1.00 0.00 WT1 H ATOM 7291 OH2 TIP3 1454 27.888 91.515 -7.599 1.00 0.00 WT1 O ATOM 7292 H1 TIP3 1454 28.390 91.015 -6.956 1.00 0.00 WT1 H ATOM 7293 H2 TIP3 1454 26.980 91.250 -7.454 1.00 0.00 WT1 H ATOM 7294 OH2 TIP3 1455 73.972 29.530 34.232 1.00 0.00 WT1 O ATOM 7295 H1 TIP3 1455 74.083 28.626 33.939 1.00 0.00 WT1 H ATOM 7296 H2 TIP3 1455 73.916 30.039 33.424 1.00 0.00 WT1 H ATOM 7297 OH2 TIP3 1456 35.286 7.490 11.445 1.00 0.00 WT1 O ATOM 7298 H1 TIP3 1456 35.962 7.976 11.917 1.00 0.00 WT1 H ATOM 7299 H2 TIP3 1456 35.718 6.680 11.173 1.00 0.00 WT1 H ATOM 7300 OH2 TIP3 1457 62.370 26.395 42.736 1.00 0.00 WT1 O ATOM 7301 H1 TIP3 1457 62.812 27.231 42.588 1.00 0.00 WT1 H ATOM 7302 H2 TIP3 1457 62.313 25.997 41.867 1.00 0.00 WT1 H ATOM 7303 OH2 TIP3 1458 66.954 14.713 3.425 1.00 0.00 WT1 O ATOM 7304 H1 TIP3 1458 66.958 15.558 3.875 1.00 0.00 WT1 H ATOM 7305 H2 TIP3 1458 66.594 14.101 4.067 1.00 0.00 WT1 H ATOM 7306 OH2 TIP3 1459 64.347 5.400 48.843 1.00 0.00 WT1 O ATOM 7307 H1 TIP3 1459 63.935 5.235 49.692 1.00 0.00 WT1 H ATOM 7308 H2 TIP3 1459 64.581 4.531 48.517 1.00 0.00 WT1 H ATOM 7309 OH2 TIP3 1461 41.130 92.754 55.987 1.00 0.00 WT1 O ATOM 7310 H1 TIP3 1461 41.213 92.215 55.201 1.00 0.00 WT1 H ATOM 7311 H2 TIP3 1461 41.291 93.648 55.683 1.00 0.00 WT1 H ATOM 7312 OH2 TIP3 1462 45.935 70.069 64.903 1.00 0.00 WT1 O ATOM 7313 H1 TIP3 1462 45.866 69.411 64.211 1.00 0.00 WT1 H ATOM 7314 H2 TIP3 1462 46.209 69.576 65.677 1.00 0.00 WT1 H ATOM 7315 OH2 TIP3 1463 34.802 23.374 62.659 1.00 0.00 WT1 O ATOM 7316 H1 TIP3 1463 35.052 23.882 61.887 1.00 0.00 WT1 H ATOM 7317 H2 TIP3 1463 34.728 22.474 62.341 1.00 0.00 WT1 H ATOM 7318 OH2 TIP3 1464 85.278 64.165 52.147 1.00 0.00 WT1 O ATOM 7319 H1 TIP3 1464 84.961 64.632 52.920 1.00 0.00 WT1 H ATOM 7320 H2 TIP3 1464 84.882 63.296 52.213 1.00 0.00 WT1 H ATOM 7321 OH2 TIP3 1466 34.888 73.519 31.254 1.00 0.00 WT1 O ATOM 7322 H1 TIP3 1466 35.418 72.777 31.547 1.00 0.00 WT1 H ATOM 7323 H2 TIP3 1466 34.128 73.118 30.832 1.00 0.00 WT1 H ATOM 7324 OH2 TIP3 1467 67.960 28.005 52.901 1.00 0.00 WT1 O ATOM 7325 H1 TIP3 1467 68.541 28.289 53.607 1.00 0.00 WT1 H ATOM 7326 H2 TIP3 1467 67.811 28.794 52.380 1.00 0.00 WT1 H ATOM 7327 OH2 TIP3 1468 50.907 14.711 54.871 1.00 0.00 WT1 O ATOM 7328 H1 TIP3 1468 50.675 14.830 53.950 1.00 0.00 WT1 H ATOM 7329 H2 TIP3 1468 51.845 14.896 54.907 1.00 0.00 WT1 H ATOM 7330 OH2 TIP3 1469 39.342 30.108 60.533 1.00 0.00 WT1 O ATOM 7331 H1 TIP3 1469 38.412 29.940 60.684 1.00 0.00 WT1 H ATOM 7332 H2 TIP3 1469 39.408 30.269 59.592 1.00 0.00 WT1 H ATOM 7333 OH2 TIP3 1470 20.447 5.896 59.999 1.00 0.00 WT1 O ATOM 7334 H1 TIP3 1470 21.391 5.927 60.151 1.00 0.00 WT1 H ATOM 7335 H2 TIP3 1470 20.214 4.975 60.115 1.00 0.00 WT1 H ATOM 7336 OH2 TIP3 1471 46.361 11.201 17.193 1.00 0.00 WT1 O ATOM 7337 H1 TIP3 1471 45.981 11.408 16.339 1.00 0.00 WT1 H ATOM 7338 H2 TIP3 1471 46.410 12.043 17.645 1.00 0.00 WT1 H ATOM 7339 OH2 TIP3 1472 42.305 60.853 -18.293 1.00 0.00 WT1 O ATOM 7340 H1 TIP3 1472 43.253 60.823 -18.166 1.00 0.00 WT1 H ATOM 7341 H2 TIP3 1472 41.971 61.287 -17.507 1.00 0.00 WT1 H ATOM 7342 OH2 TIP3 1473 59.167 44.618 32.509 1.00 0.00 WT1 O ATOM 7343 H1 TIP3 1473 59.998 44.677 32.038 1.00 0.00 WT1 H ATOM 7344 H2 TIP3 1473 58.745 45.464 32.358 1.00 0.00 WT1 H ATOM 7345 OH2 TIP3 1474 56.242 3.219 57.316 1.00 0.00 WT1 O ATOM 7346 H1 TIP3 1474 56.844 3.956 57.207 1.00 0.00 WT1 H ATOM 7347 H2 TIP3 1474 55.962 3.271 58.229 1.00 0.00 WT1 H ATOM 7348 OH2 TIP3 1475 37.987 38.364 6.144 1.00 0.00 WT1 O ATOM 7349 H1 TIP3 1475 38.728 37.839 6.445 1.00 0.00 WT1 H ATOM 7350 H2 TIP3 1475 37.770 38.923 6.890 1.00 0.00 WT1 H ATOM 7351 OH2 TIP3 1476 37.035 39.874 20.556 1.00 0.00 WT1 O ATOM 7352 H1 TIP3 1476 37.660 39.150 20.595 1.00 0.00 WT1 H ATOM 7353 H2 TIP3 1476 37.471 40.539 20.024 1.00 0.00 WT1 H ATOM 7354 OH2 TIP3 1477 39.728 49.722 15.383 1.00 0.00 WT1 O ATOM 7355 H1 TIP3 1477 40.323 49.372 16.047 1.00 0.00 WT1 H ATOM 7356 H2 TIP3 1477 39.860 50.669 15.418 1.00 0.00 WT1 H ATOM 7357 OH2 TIP3 1478 27.977 65.646 61.082 1.00 0.00 WT1 O ATOM 7358 H1 TIP3 1478 27.073 65.721 60.778 1.00 0.00 WT1 H ATOM 7359 H2 TIP3 1478 28.475 66.219 60.499 1.00 0.00 WT1 H ATOM 7360 OH2 TIP3 1479 39.629 27.942 44.762 1.00 0.00 WT1 O ATOM 7361 H1 TIP3 1479 39.120 28.588 44.273 1.00 0.00 WT1 H ATOM 7362 H2 TIP3 1479 40.516 28.019 44.410 1.00 0.00 WT1 H ATOM 7363 OH2 TIP3 1480 46.054 18.939 -2.025 1.00 0.00 WT1 O ATOM 7364 H1 TIP3 1480 46.482 18.522 -1.277 1.00 0.00 WT1 H ATOM 7365 H2 TIP3 1480 46.229 18.352 -2.760 1.00 0.00 WT1 H ATOM 7366 OH2 TIP3 1482 68.198 3.510 16.877 1.00 0.00 WT1 O ATOM 7367 H1 TIP3 1482 68.955 3.936 16.474 1.00 0.00 WT1 H ATOM 7368 H2 TIP3 1482 67.446 3.845 16.389 1.00 0.00 WT1 H ATOM 7369 OH2 TIP3 1483 65.966 33.650 15.857 1.00 0.00 WT1 O ATOM 7370 H1 TIP3 1483 66.027 33.947 16.765 1.00 0.00 WT1 H ATOM 7371 H2 TIP3 1483 65.063 33.842 15.602 1.00 0.00 WT1 H ATOM 7372 OH2 TIP3 1484 31.683 15.076 23.739 1.00 0.00 WT1 O ATOM 7373 H1 TIP3 1484 31.322 15.770 23.188 1.00 0.00 WT1 H ATOM 7374 H2 TIP3 1484 32.106 15.539 24.462 1.00 0.00 WT1 H ATOM 7375 OH2 TIP3 1485 87.811 29.987 49.186 1.00 0.00 WT1 O ATOM 7376 H1 TIP3 1485 87.767 29.188 48.661 1.00 0.00 WT1 H ATOM 7377 H2 TIP3 1485 88.459 30.532 48.740 1.00 0.00 WT1 H ATOM 7378 OH2 TIP3 1486 33.362 31.799 12.924 1.00 0.00 WT1 O ATOM 7379 H1 TIP3 1486 33.462 32.103 12.022 1.00 0.00 WT1 H ATOM 7380 H2 TIP3 1486 33.564 32.566 13.460 1.00 0.00 WT1 H ATOM 7381 OH2 TIP3 1487 46.816 12.642 -13.807 1.00 0.00 WT1 O ATOM 7382 H1 TIP3 1487 46.454 11.761 -13.902 1.00 0.00 WT1 H ATOM 7383 H2 TIP3 1487 47.606 12.522 -13.280 1.00 0.00 WT1 H ATOM 7384 OH2 TIP3 1488 78.391 47.414 41.574 1.00 0.00 WT1 O ATOM 7385 H1 TIP3 1488 77.818 48.007 41.086 1.00 0.00 WT1 H ATOM 7386 H2 TIP3 1488 78.446 47.800 42.448 1.00 0.00 WT1 H ATOM 7387 OH2 TIP3 1489 59.399 42.326 53.381 1.00 0.00 WT1 O ATOM 7388 H1 TIP3 1489 58.551 42.052 53.032 1.00 0.00 WT1 H ATOM 7389 H2 TIP3 1489 59.394 43.280 53.304 1.00 0.00 WT1 H ATOM 7390 OH2 TIP3 1490 60.185 54.905 37.319 1.00 0.00 WT1 O ATOM 7391 H1 TIP3 1490 60.626 55.568 36.790 1.00 0.00 WT1 H ATOM 7392 H2 TIP3 1490 59.257 55.003 37.102 1.00 0.00 WT1 H ATOM 7393 OH2 TIP3 1491 28.382 7.613 66.880 1.00 0.00 WT1 O ATOM 7394 H1 TIP3 1491 28.488 7.943 67.772 1.00 0.00 WT1 H ATOM 7395 H2 TIP3 1491 27.584 7.085 66.913 1.00 0.00 WT1 H ATOM 7396 OH2 TIP3 1492 49.802 21.300 5.018 1.00 0.00 WT1 O ATOM 7397 H1 TIP3 1492 50.662 21.665 5.229 1.00 0.00 WT1 H ATOM 7398 H2 TIP3 1492 49.690 20.577 5.635 1.00 0.00 WT1 H ATOM 7399 OH2 TIP3 1493 85.788 29.569 66.829 1.00 0.00 WT1 O ATOM 7400 H1 TIP3 1493 85.587 30.487 67.010 1.00 0.00 WT1 H ATOM 7401 H2 TIP3 1493 84.945 29.180 66.593 1.00 0.00 WT1 H ATOM 7402 OH2 TIP3 1494 64.021 94.918 62.451 1.00 0.00 WT1 O ATOM 7403 H1 TIP3 1494 64.065 95.239 61.550 1.00 0.00 WT1 H ATOM 7404 H2 TIP3 1494 64.856 94.470 62.586 1.00 0.00 WT1 H ATOM 7405 OH2 TIP3 1495 23.262 95.057 0.778 1.00 0.00 WT1 O ATOM 7406 H1 TIP3 1495 22.804 95.122 -0.060 1.00 0.00 WT1 H ATOM 7407 H2 TIP3 1495 22.887 94.282 1.197 1.00 0.00 WT1 H ATOM 7408 OH2 TIP3 1496 29.169 46.883 51.923 1.00 0.00 WT1 O ATOM 7409 H1 TIP3 1496 29.882 46.940 51.286 1.00 0.00 WT1 H ATOM 7410 H2 TIP3 1496 29.116 45.952 52.140 1.00 0.00 WT1 H ATOM 7411 OH2 TIP3 1497 35.535 91.067 13.349 1.00 0.00 WT1 O ATOM 7412 H1 TIP3 1497 34.849 90.403 13.288 1.00 0.00 WT1 H ATOM 7413 H2 TIP3 1497 35.999 90.860 14.160 1.00 0.00 WT1 H ATOM 7414 OH2 TIP3 1498 65.009 81.750 -9.429 1.00 0.00 WT1 O ATOM 7415 H1 TIP3 1498 65.140 82.675 -9.218 1.00 0.00 WT1 H ATOM 7416 H2 TIP3 1498 65.632 81.286 -8.870 1.00 0.00 WT1 H ATOM 7417 OH2 TIP3 1499 21.829 93.466 -18.384 1.00 0.00 WT1 O ATOM 7418 H1 TIP3 1499 22.241 93.533 -17.523 1.00 0.00 WT1 H ATOM 7419 H2 TIP3 1499 22.321 94.076 -18.933 1.00 0.00 WT1 H ATOM 7420 OH2 TIP3 1500 25.925 32.711 -4.527 1.00 0.00 WT1 O ATOM 7421 H1 TIP3 1500 26.667 32.373 -5.028 1.00 0.00 WT1 H ATOM 7422 H2 TIP3 1500 26.147 33.627 -4.358 1.00 0.00 WT1 H ATOM 7423 OH2 TIP3 1501 76.987 71.455 38.267 1.00 0.00 WT1 O ATOM 7424 H1 TIP3 1501 77.756 71.286 37.723 1.00 0.00 WT1 H ATOM 7425 H2 TIP3 1501 77.041 72.388 38.476 1.00 0.00 WT1 H ATOM 7426 OH2 TIP3 1502 51.796 40.059 43.062 1.00 0.00 WT1 O ATOM 7427 H1 TIP3 1502 51.747 39.515 42.277 1.00 0.00 WT1 H ATOM 7428 H2 TIP3 1502 51.967 40.942 42.733 1.00 0.00 WT1 H ATOM 7429 OH2 TIP3 1503 22.598 42.221 -0.021 1.00 0.00 WT1 O ATOM 7430 H1 TIP3 1503 22.528 41.907 0.880 1.00 0.00 WT1 H ATOM 7431 H2 TIP3 1503 22.696 41.427 -0.546 1.00 0.00 WT1 H ATOM 7432 OH2 TIP3 1504 35.995 34.922 11.042 1.00 0.00 WT1 O ATOM 7433 H1 TIP3 1504 36.135 35.451 11.826 1.00 0.00 WT1 H ATOM 7434 H2 TIP3 1504 35.547 35.509 10.433 1.00 0.00 WT1 H ATOM 7435 OH2 TIP3 1505 33.351 80.413 22.589 1.00 0.00 WT1 O ATOM 7436 H1 TIP3 1505 34.076 80.780 23.094 1.00 0.00 WT1 H ATOM 7437 H2 TIP3 1505 32.747 80.073 23.249 1.00 0.00 WT1 H ATOM 7438 OH2 TIP3 1508 35.892 10.391 26.959 1.00 0.00 WT1 O ATOM 7439 H1 TIP3 1508 36.219 10.985 26.285 1.00 0.00 WT1 H ATOM 7440 H2 TIP3 1508 35.391 10.951 27.552 1.00 0.00 WT1 H ATOM 7441 OH2 TIP3 1509 22.660 13.567 55.646 1.00 0.00 WT1 O ATOM 7442 H1 TIP3 1509 22.082 14.085 56.205 1.00 0.00 WT1 H ATOM 7443 H2 TIP3 1509 22.424 12.658 55.832 1.00 0.00 WT1 H ATOM 7444 OH2 TIP3 1510 75.701 38.434 58.446 1.00 0.00 WT1 O ATOM 7445 H1 TIP3 1510 75.243 37.931 59.120 1.00 0.00 WT1 H ATOM 7446 H2 TIP3 1510 75.003 38.833 57.928 1.00 0.00 WT1 H ATOM 7447 OH2 TIP3 1511 65.781 34.301 18.718 1.00 0.00 WT1 O ATOM 7448 H1 TIP3 1511 65.163 34.989 18.966 1.00 0.00 WT1 H ATOM 7449 H2 TIP3 1511 65.416 33.502 19.097 1.00 0.00 WT1 H ATOM 7450 OH2 TIP3 1512 81.672 30.655 65.154 1.00 0.00 WT1 O ATOM 7451 H1 TIP3 1512 81.450 30.702 64.224 1.00 0.00 WT1 H ATOM 7452 H2 TIP3 1512 81.748 31.569 65.428 1.00 0.00 WT1 H ATOM 7453 OH2 TIP3 1514 73.920 26.085 10.349 1.00 0.00 WT1 O ATOM 7454 H1 TIP3 1514 73.568 26.068 11.239 1.00 0.00 WT1 H ATOM 7455 H2 TIP3 1514 73.765 25.203 10.012 1.00 0.00 WT1 H ATOM 7456 OH2 TIP3 1515 76.039 26.041 55.063 1.00 0.00 WT1 O ATOM 7457 H1 TIP3 1515 76.358 25.425 54.404 1.00 0.00 WT1 H ATOM 7458 H2 TIP3 1515 75.782 26.816 54.564 1.00 0.00 WT1 H ATOM 7459 OH2 TIP3 1516 55.481 46.004 -2.969 1.00 0.00 WT1 O ATOM 7460 H1 TIP3 1516 55.654 45.385 -2.260 1.00 0.00 WT1 H ATOM 7461 H2 TIP3 1516 55.209 46.807 -2.526 1.00 0.00 WT1 H ATOM 7462 OH2 TIP3 1517 44.527 44.577 -0.716 1.00 0.00 WT1 O ATOM 7463 H1 TIP3 1517 44.669 44.818 0.200 1.00 0.00 WT1 H ATOM 7464 H2 TIP3 1517 43.612 44.298 -0.751 1.00 0.00 WT1 H ATOM 7465 OH2 TIP3 1518 80.722 55.058 48.332 1.00 0.00 WT1 O ATOM 7466 H1 TIP3 1518 80.265 55.634 47.719 1.00 0.00 WT1 H ATOM 7467 H2 TIP3 1518 81.543 55.512 48.522 1.00 0.00 WT1 H ATOM 7468 OH2 TIP3 1519 48.281 12.606 60.490 1.00 0.00 WT1 O ATOM 7469 H1 TIP3 1519 48.917 12.255 61.113 1.00 0.00 WT1 H ATOM 7470 H2 TIP3 1519 48.724 12.557 59.643 1.00 0.00 WT1 H ATOM 7471 OH2 TIP3 1520 83.817 14.382 7.845 1.00 0.00 WT1 O ATOM 7472 H1 TIP3 1520 84.180 14.652 7.002 1.00 0.00 WT1 H ATOM 7473 H2 TIP3 1520 83.928 15.147 8.411 1.00 0.00 WT1 H ATOM 7474 OH2 TIP3 1521 55.806 65.519 42.905 1.00 0.00 WT1 O ATOM 7475 H1 TIP3 1521 55.431 65.546 43.785 1.00 0.00 WT1 H ATOM 7476 H2 TIP3 1521 55.616 64.635 42.591 1.00 0.00 WT1 H ATOM 7477 OH2 TIP3 1522 61.638 70.800 29.420 1.00 0.00 WT1 O ATOM 7478 H1 TIP3 1522 61.596 70.266 28.627 1.00 0.00 WT1 H ATOM 7479 H2 TIP3 1522 60.778 71.219 29.472 1.00 0.00 WT1 H ATOM 7480 OH2 TIP3 1523 27.891 46.182 65.498 1.00 0.00 WT1 O ATOM 7481 H1 TIP3 1523 28.268 45.722 66.248 1.00 0.00 WT1 H ATOM 7482 H2 TIP3 1523 28.291 47.051 65.523 1.00 0.00 WT1 H ATOM 7483 OH2 TIP3 1524 71.112 41.738 23.305 1.00 0.00 WT1 O ATOM 7484 H1 TIP3 1524 70.381 41.341 22.833 1.00 0.00 WT1 H ATOM 7485 H2 TIP3 1524 70.736 42.514 23.721 1.00 0.00 WT1 H ATOM 7486 OH2 TIP3 1525 36.162 8.857 -0.249 1.00 0.00 WT1 O ATOM 7487 H1 TIP3 1525 36.518 8.115 0.240 1.00 0.00 WT1 H ATOM 7488 H2 TIP3 1525 35.341 8.530 -0.616 1.00 0.00 WT1 H ATOM 7489 OH2 TIP3 1527 75.450 36.007 16.321 1.00 0.00 WT1 O ATOM 7490 H1 TIP3 1527 75.741 36.016 15.409 1.00 0.00 WT1 H ATOM 7491 H2 TIP3 1527 76.147 36.455 16.800 1.00 0.00 WT1 H ATOM 7492 OH2 TIP3 1530 38.781 64.064 42.851 1.00 0.00 WT1 O ATOM 7493 H1 TIP3 1530 39.350 64.181 42.091 1.00 0.00 WT1 H ATOM 7494 H2 TIP3 1530 38.928 64.845 43.384 1.00 0.00 WT1 H ATOM 7495 OH2 TIP3 1531 75.604 36.495 61.179 1.00 0.00 WT1 O ATOM 7496 H1 TIP3 1531 75.139 35.714 60.877 1.00 0.00 WT1 H ATOM 7497 H2 TIP3 1531 76.326 36.155 61.707 1.00 0.00 WT1 H ATOM 7498 OH2 TIP3 1532 34.099 79.824 -12.220 1.00 0.00 WT1 O ATOM 7499 H1 TIP3 1532 34.437 79.887 -11.326 1.00 0.00 WT1 H ATOM 7500 H2 TIP3 1532 34.818 80.136 -12.770 1.00 0.00 WT1 H ATOM 7501 OH2 TIP3 1533 63.112 37.398 66.699 1.00 0.00 WT1 O ATOM 7502 H1 TIP3 1533 62.252 37.797 66.567 1.00 0.00 WT1 H ATOM 7503 H2 TIP3 1533 63.395 37.715 67.557 1.00 0.00 WT1 H ATOM 7504 OH2 TIP3 1534 40.594 26.831 -2.024 1.00 0.00 WT1 O ATOM 7505 H1 TIP3 1534 41.111 27.540 -2.406 1.00 0.00 WT1 H ATOM 7506 H2 TIP3 1534 40.153 27.232 -1.275 1.00 0.00 WT1 H ATOM 7507 OH2 TIP3 1536 75.568 76.632 18.292 1.00 0.00 WT1 O ATOM 7508 H1 TIP3 1536 75.721 77.124 19.099 1.00 0.00 WT1 H ATOM 7509 H2 TIP3 1536 75.834 75.737 18.502 1.00 0.00 WT1 H ATOM 7510 OH2 TIP3 1537 68.791 47.771 20.230 1.00 0.00 WT1 O ATOM 7511 H1 TIP3 1537 68.829 46.927 19.779 1.00 0.00 WT1 H ATOM 7512 H2 TIP3 1537 68.722 48.416 19.526 1.00 0.00 WT1 H ATOM 7513 OH2 TIP3 1538 42.029 79.797 10.821 1.00 0.00 WT1 O ATOM 7514 H1 TIP3 1538 42.936 80.015 11.035 1.00 0.00 WT1 H ATOM 7515 H2 TIP3 1538 41.759 79.189 11.509 1.00 0.00 WT1 H ATOM 7516 OH2 TIP3 1539 81.637 68.212 -1.238 1.00 0.00 WT1 O ATOM 7517 H1 TIP3 1539 81.669 67.256 -1.286 1.00 0.00 WT1 H ATOM 7518 H2 TIP3 1539 81.440 68.400 -0.321 1.00 0.00 WT1 H ATOM 7519 OH2 TIP3 1540 25.019 11.191 54.372 1.00 0.00 WT1 O ATOM 7520 H1 TIP3 1540 25.963 11.106 54.506 1.00 0.00 WT1 H ATOM 7521 H2 TIP3 1540 24.764 10.376 53.939 1.00 0.00 WT1 H ATOM 7522 OH2 TIP3 1541 76.655 46.825 49.007 1.00 0.00 WT1 O ATOM 7523 H1 TIP3 1541 76.811 47.717 49.319 1.00 0.00 WT1 H ATOM 7524 H2 TIP3 1541 75.702 46.730 49.020 1.00 0.00 WT1 H ATOM 7525 OH2 TIP3 1542 87.902 31.361 19.381 1.00 0.00 WT1 O ATOM 7526 H1 TIP3 1542 88.142 30.891 20.179 1.00 0.00 WT1 H ATOM 7527 H2 TIP3 1542 87.032 31.717 19.564 1.00 0.00 WT1 H ATOM 7528 OH2 TIP3 1543 60.092 19.671 4.882 1.00 0.00 WT1 O ATOM 7529 H1 TIP3 1543 60.596 20.441 4.618 1.00 0.00 WT1 H ATOM 7530 H2 TIP3 1543 59.897 19.817 5.808 1.00 0.00 WT1 H ATOM 7531 OH2 TIP3 1544 40.095 60.827 -19.901 1.00 0.00 WT1 O ATOM 7532 H1 TIP3 1544 40.974 60.824 -19.521 1.00 0.00 WT1 H ATOM 7533 H2 TIP3 1544 39.559 60.347 -19.269 1.00 0.00 WT1 H ATOM 7534 OH2 TIP3 1545 42.922 71.843 62.957 1.00 0.00 WT1 O ATOM 7535 H1 TIP3 1545 43.542 71.856 63.686 1.00 0.00 WT1 H ATOM 7536 H2 TIP3 1545 43.169 71.073 62.445 1.00 0.00 WT1 H ATOM 7537 OH2 TIP3 1546 59.806 19.482 41.742 1.00 0.00 WT1 O ATOM 7538 H1 TIP3 1546 60.300 18.803 41.282 1.00 0.00 WT1 H ATOM 7539 H2 TIP3 1546 59.539 20.093 41.055 1.00 0.00 WT1 H ATOM 7540 OH2 TIP3 1548 39.835 78.070 -13.432 1.00 0.00 WT1 O ATOM 7541 H1 TIP3 1548 39.010 78.032 -12.949 1.00 0.00 WT1 H ATOM 7542 H2 TIP3 1548 40.488 78.309 -12.774 1.00 0.00 WT1 H ATOM 7543 OH2 TIP3 1549 81.242 45.644 50.570 1.00 0.00 WT1 O ATOM 7544 H1 TIP3 1549 81.098 46.142 51.375 1.00 0.00 WT1 H ATOM 7545 H2 TIP3 1549 82.093 45.943 50.252 1.00 0.00 WT1 H ATOM 7546 OH2 TIP3 1550 41.249 72.612 28.721 1.00 0.00 WT1 O ATOM 7547 H1 TIP3 1550 41.629 73.491 28.747 1.00 0.00 WT1 H ATOM 7548 H2 TIP3 1550 41.675 72.188 27.977 1.00 0.00 WT1 H ATOM 7549 OH2 TIP3 1551 22.715 8.426 48.771 1.00 0.00 WT1 O ATOM 7550 H1 TIP3 1551 22.451 8.433 47.851 1.00 0.00 WT1 H ATOM 7551 H2 TIP3 1551 23.466 9.018 48.810 1.00 0.00 WT1 H ATOM 7552 OH2 TIP3 1552 64.260 94.694 15.701 1.00 0.00 WT1 O ATOM 7553 H1 TIP3 1552 64.433 95.360 15.036 1.00 0.00 WT1 H ATOM 7554 H2 TIP3 1552 63.479 94.238 15.387 1.00 0.00 WT1 H ATOM 7555 OH2 TIP3 1553 37.851 44.058 35.750 1.00 0.00 WT1 O ATOM 7556 H1 TIP3 1553 38.705 43.649 35.888 1.00 0.00 WT1 H ATOM 7557 H2 TIP3 1553 37.960 44.580 34.955 1.00 0.00 WT1 H ATOM 7558 OH2 TIP3 1554 50.397 64.875 -15.238 1.00 0.00 WT1 O ATOM 7559 H1 TIP3 1554 49.987 64.215 -15.797 1.00 0.00 WT1 H ATOM 7560 H2 TIP3 1554 49.664 65.314 -14.807 1.00 0.00 WT1 H ATOM 7561 OH2 TIP3 1555 33.983 30.910 -11.466 1.00 0.00 WT1 O ATOM 7562 H1 TIP3 1555 34.761 30.959 -10.911 1.00 0.00 WT1 H ATOM 7563 H2 TIP3 1555 33.671 30.011 -11.361 1.00 0.00 WT1 H ATOM 7564 OH2 TIP3 1556 35.382 56.142 7.097 1.00 0.00 WT1 O ATOM 7565 H1 TIP3 1556 35.314 56.933 7.632 1.00 0.00 WT1 H ATOM 7566 H2 TIP3 1556 36.268 55.817 7.261 1.00 0.00 WT1 H ATOM 7567 OH2 TIP3 1557 48.775 23.113 -6.987 1.00 0.00 WT1 O ATOM 7568 H1 TIP3 1557 48.950 24.040 -6.821 1.00 0.00 WT1 H ATOM 7569 H2 TIP3 1557 48.861 22.696 -6.129 1.00 0.00 WT1 H ATOM 7570 OH2 TIP3 1558 25.452 31.291 26.627 1.00 0.00 WT1 O ATOM 7571 H1 TIP3 1558 24.862 32.041 26.698 1.00 0.00 WT1 H ATOM 7572 H2 TIP3 1558 25.401 31.031 25.707 1.00 0.00 WT1 H ATOM 7573 OH2 TIP3 1559 53.374 74.293 26.568 1.00 0.00 WT1 O ATOM 7574 H1 TIP3 1559 53.735 74.683 25.772 1.00 0.00 WT1 H ATOM 7575 H2 TIP3 1559 53.176 73.388 26.324 1.00 0.00 WT1 H ATOM 7576 OH2 TIP3 1560 67.218 51.266 -14.133 1.00 0.00 WT1 O ATOM 7577 H1 TIP3 1560 67.100 51.967 -13.491 1.00 0.00 WT1 H ATOM 7578 H2 TIP3 1560 67.839 50.665 -13.721 1.00 0.00 WT1 H ATOM 7579 OH2 TIP3 1561 35.773 11.102 42.435 1.00 0.00 WT1 O ATOM 7580 H1 TIP3 1561 36.058 11.871 41.941 1.00 0.00 WT1 H ATOM 7581 H2 TIP3 1561 36.548 10.543 42.477 1.00 0.00 WT1 H ATOM 7582 OH2 TIP3 1562 29.817 76.591 -0.195 1.00 0.00 WT1 O ATOM 7583 H1 TIP3 1562 29.694 77.205 0.529 1.00 0.00 WT1 H ATOM 7584 H2 TIP3 1562 30.471 75.969 0.127 1.00 0.00 WT1 H ATOM 7585 OH2 TIP3 1563 42.961 42.671 37.089 1.00 0.00 WT1 O ATOM 7586 H1 TIP3 1563 43.420 43.492 37.269 1.00 0.00 WT1 H ATOM 7587 H2 TIP3 1563 43.628 42.100 36.709 1.00 0.00 WT1 H ATOM 7588 OH2 TIP3 1564 34.940 0.409 -14.951 1.00 0.00 WT1 O ATOM 7589 H1 TIP3 1564 35.840 0.604 -14.692 1.00 0.00 WT1 H ATOM 7590 H2 TIP3 1564 34.482 0.248 -14.126 1.00 0.00 WT1 H ATOM 7591 OH2 TIP3 1565 88.604 5.679 -4.743 1.00 0.00 WT1 O ATOM 7592 H1 TIP3 1565 88.938 4.940 -4.235 1.00 0.00 WT1 H ATOM 7593 H2 TIP3 1565 88.571 5.357 -5.644 1.00 0.00 WT1 H ATOM 7594 OH2 TIP3 1566 84.547 21.352 64.157 1.00 0.00 WT1 O ATOM 7595 H1 TIP3 1566 84.904 21.148 63.292 1.00 0.00 WT1 H ATOM 7596 H2 TIP3 1566 85.152 20.936 64.770 1.00 0.00 WT1 H ATOM 7597 OH2 TIP3 1567 43.478 50.234 25.545 1.00 0.00 WT1 O ATOM 7598 H1 TIP3 1567 44.267 50.252 25.003 1.00 0.00 WT1 H ATOM 7599 H2 TIP3 1567 43.617 49.505 26.148 1.00 0.00 WT1 H ATOM 7600 OH2 TIP3 1569 56.700 54.919 20.095 1.00 0.00 WT1 O ATOM 7601 H1 TIP3 1569 56.304 54.955 20.965 1.00 0.00 WT1 H ATOM 7602 H2 TIP3 1569 56.436 54.068 19.746 1.00 0.00 WT1 H ATOM 7603 OH2 TIP3 1570 84.593 24.202 32.066 1.00 0.00 WT1 O ATOM 7604 H1 TIP3 1570 85.397 23.946 31.615 1.00 0.00 WT1 H ATOM 7605 H2 TIP3 1570 84.681 25.145 32.199 1.00 0.00 WT1 H ATOM 7606 OH2 TIP3 1571 36.234 78.884 45.106 1.00 0.00 WT1 O ATOM 7607 H1 TIP3 1571 35.703 78.618 45.857 1.00 0.00 WT1 H ATOM 7608 H2 TIP3 1571 36.336 78.085 44.589 1.00 0.00 WT1 H ATOM 7609 OH2 TIP3 1572 35.470 8.802 59.340 1.00 0.00 WT1 O ATOM 7610 H1 TIP3 1572 35.549 8.604 60.274 1.00 0.00 WT1 H ATOM 7611 H2 TIP3 1572 34.961 9.612 59.309 1.00 0.00 WT1 H ATOM 7612 OH2 TIP3 1574 71.529 45.495 26.452 1.00 0.00 WT1 O ATOM 7613 H1 TIP3 1574 72.204 45.062 26.974 1.00 0.00 WT1 H ATOM 7614 H2 TIP3 1574 71.068 44.778 26.015 1.00 0.00 WT1 H ATOM 7615 OH2 TIP3 1575 70.318 2.159 37.788 1.00 0.00 WT1 O ATOM 7616 H1 TIP3 1575 70.615 1.396 38.285 1.00 0.00 WT1 H ATOM 7617 H2 TIP3 1575 70.379 1.887 36.872 1.00 0.00 WT1 H ATOM 7618 OH2 TIP3 1576 27.550 42.734 58.676 1.00 0.00 WT1 O ATOM 7619 H1 TIP3 1576 26.922 42.618 57.963 1.00 0.00 WT1 H ATOM 7620 H2 TIP3 1576 28.130 41.976 58.611 1.00 0.00 WT1 H ATOM 7621 OH2 TIP3 1577 25.687 34.210 -8.766 1.00 0.00 WT1 O ATOM 7622 H1 TIP3 1577 25.271 33.585 -8.172 1.00 0.00 WT1 H ATOM 7623 H2 TIP3 1577 25.057 34.320 -9.478 1.00 0.00 WT1 H ATOM 7624 OH2 TIP3 1578 45.075 41.041 35.831 1.00 0.00 WT1 O ATOM 7625 H1 TIP3 1578 44.292 40.512 35.679 1.00 0.00 WT1 H ATOM 7626 H2 TIP3 1578 45.531 41.042 34.989 1.00 0.00 WT1 H ATOM 7627 OH2 TIP3 1579 46.826 41.136 -6.801 1.00 0.00 WT1 O ATOM 7628 H1 TIP3 1579 47.580 41.453 -6.302 1.00 0.00 WT1 H ATOM 7629 H2 TIP3 1579 46.069 41.357 -6.259 1.00 0.00 WT1 H ATOM 7630 OH2 TIP3 1580 28.332 67.636 -12.856 1.00 0.00 WT1 O ATOM 7631 H1 TIP3 1580 27.806 67.087 -13.438 1.00 0.00 WT1 H ATOM 7632 H2 TIP3 1580 27.857 67.627 -12.025 1.00 0.00 WT1 H ATOM 7633 OH2 TIP3 1581 75.005 32.874 -9.538 1.00 0.00 WT1 O ATOM 7634 H1 TIP3 1581 75.573 32.491 -8.869 1.00 0.00 WT1 H ATOM 7635 H2 TIP3 1581 75.442 33.689 -9.784 1.00 0.00 WT1 H ATOM 7636 OH2 TIP3 1582 43.890 6.918 34.895 1.00 0.00 WT1 O ATOM 7637 H1 TIP3 1582 43.664 6.421 35.681 1.00 0.00 WT1 H ATOM 7638 H2 TIP3 1582 44.833 7.064 34.966 1.00 0.00 WT1 H ATOM 7639 OH2 TIP3 1583 23.206 24.413 -0.505 1.00 0.00 WT1 O ATOM 7640 H1 TIP3 1583 24.020 24.551 -0.020 1.00 0.00 WT1 H ATOM 7641 H2 TIP3 1583 23.442 24.564 -1.420 1.00 0.00 WT1 H ATOM 7642 OH2 TIP3 1584 41.069 14.897 25.495 1.00 0.00 WT1 O ATOM 7643 H1 TIP3 1584 41.143 14.369 24.700 1.00 0.00 WT1 H ATOM 7644 H2 TIP3 1584 40.459 14.411 26.051 1.00 0.00 WT1 H ATOM 7645 OH2 TIP3 1585 42.828 73.551 -10.327 1.00 0.00 WT1 O ATOM 7646 H1 TIP3 1585 42.728 72.866 -9.666 1.00 0.00 WT1 H ATOM 7647 H2 TIP3 1585 42.157 74.197 -10.106 1.00 0.00 WT1 H ATOM 7648 OH2 TIP3 1586 38.259 37.576 32.568 1.00 0.00 WT1 O ATOM 7649 H1 TIP3 1586 37.408 37.727 32.979 1.00 0.00 WT1 H ATOM 7650 H2 TIP3 1586 38.477 38.410 32.152 1.00 0.00 WT1 H ATOM 7651 OH2 TIP3 1587 65.966 25.783 62.018 1.00 0.00 WT1 O ATOM 7652 H1 TIP3 1587 65.826 26.299 61.224 1.00 0.00 WT1 H ATOM 7653 H2 TIP3 1587 65.618 26.329 62.723 1.00 0.00 WT1 H ATOM 7654 OH2 TIP3 1588 56.558 46.446 18.020 1.00 0.00 WT1 O ATOM 7655 H1 TIP3 1588 56.193 46.695 18.869 1.00 0.00 WT1 H ATOM 7656 H2 TIP3 1588 56.972 47.245 17.693 1.00 0.00 WT1 H ATOM 7657 OH2 TIP3 1589 85.279 23.756 -10.996 1.00 0.00 WT1 O ATOM 7658 H1 TIP3 1589 84.492 24.191 -11.322 1.00 0.00 WT1 H ATOM 7659 H2 TIP3 1589 85.377 22.985 -11.555 1.00 0.00 WT1 H ATOM 7660 OH2 TIP3 1590 32.254 50.258 43.984 1.00 0.00 WT1 O ATOM 7661 H1 TIP3 1590 32.877 50.688 43.398 1.00 0.00 WT1 H ATOM 7662 H2 TIP3 1590 32.536 50.512 44.862 1.00 0.00 WT1 H ATOM 7663 OH2 TIP3 1591 41.110 18.699 10.252 1.00 0.00 WT1 O ATOM 7664 H1 TIP3 1591 42.040 18.578 10.057 1.00 0.00 WT1 H ATOM 7665 H2 TIP3 1591 40.808 17.833 10.527 1.00 0.00 WT1 H ATOM 7666 OH2 TIP3 1592 80.397 63.006 7.761 1.00 0.00 WT1 O ATOM 7667 H1 TIP3 1592 81.012 62.781 7.063 1.00 0.00 WT1 H ATOM 7668 H2 TIP3 1592 79.808 62.253 7.814 1.00 0.00 WT1 H ATOM 7669 OH2 TIP3 1594 35.026 33.039 62.640 1.00 0.00 WT1 O ATOM 7670 H1 TIP3 1594 34.371 32.384 62.881 1.00 0.00 WT1 H ATOM 7671 H2 TIP3 1594 34.561 33.639 62.057 1.00 0.00 WT1 H ATOM 7672 OH2 TIP3 1596 69.694 2.919 52.944 1.00 0.00 WT1 O ATOM 7673 H1 TIP3 1596 69.007 3.525 52.665 1.00 0.00 WT1 H ATOM 7674 H2 TIP3 1596 70.317 3.465 53.423 1.00 0.00 WT1 H ATOM 7675 OH2 TIP3 1597 83.961 32.954 -6.644 1.00 0.00 WT1 O ATOM 7676 H1 TIP3 1597 83.008 33.039 -6.625 1.00 0.00 WT1 H ATOM 7677 H2 TIP3 1597 84.116 32.014 -6.740 1.00 0.00 WT1 H ATOM 7678 OH2 TIP3 1598 34.506 56.099 43.099 1.00 0.00 WT1 O ATOM 7679 H1 TIP3 1598 34.401 55.161 42.942 1.00 0.00 WT1 H ATOM 7680 H2 TIP3 1598 34.880 56.438 42.285 1.00 0.00 WT1 H ATOM 7681 OH2 TIP3 1599 41.950 46.456 -4.845 1.00 0.00 WT1 O ATOM 7682 H1 TIP3 1599 41.673 47.131 -5.465 1.00 0.00 WT1 H ATOM 7683 H2 TIP3 1599 41.870 46.872 -3.987 1.00 0.00 WT1 H ATOM 7684 OH2 TIP3 1600 56.206 63.120 45.022 1.00 0.00 WT1 O ATOM 7685 H1 TIP3 1600 56.488 62.750 44.185 1.00 0.00 WT1 H ATOM 7686 H2 TIP3 1600 55.371 62.690 45.206 1.00 0.00 WT1 H ATOM 7687 OH2 TIP3 1601 81.280 59.957 -7.448 1.00 0.00 WT1 O ATOM 7688 H1 TIP3 1601 81.424 60.161 -6.523 1.00 0.00 WT1 H ATOM 7689 H2 TIP3 1601 81.565 60.743 -7.914 1.00 0.00 WT1 H ATOM 7690 OH2 TIP3 1602 37.501 61.498 3.010 1.00 0.00 WT1 O ATOM 7691 H1 TIP3 1602 38.440 61.537 2.832 1.00 0.00 WT1 H ATOM 7692 H2 TIP3 1602 37.437 61.499 3.966 1.00 0.00 WT1 H ATOM 7693 OH2 TIP3 1603 33.214 67.845 64.130 1.00 0.00 WT1 O ATOM 7694 H1 TIP3 1603 32.783 67.489 64.907 1.00 0.00 WT1 H ATOM 7695 H2 TIP3 1603 33.120 67.160 63.468 1.00 0.00 WT1 H ATOM 7696 OH2 TIP3 1604 80.866 48.469 18.320 1.00 0.00 WT1 O ATOM 7697 H1 TIP3 1604 80.066 48.073 17.976 1.00 0.00 WT1 H ATOM 7698 H2 TIP3 1604 81.496 48.402 17.602 1.00 0.00 WT1 H ATOM 7699 OH2 TIP3 1605 68.664 53.250 37.879 1.00 0.00 WT1 O ATOM 7700 H1 TIP3 1605 68.353 52.490 37.386 1.00 0.00 WT1 H ATOM 7701 H2 TIP3 1605 68.119 53.975 37.572 1.00 0.00 WT1 H ATOM 7702 OH2 TIP3 1606 69.163 40.299 45.367 1.00 0.00 WT1 O ATOM 7703 H1 TIP3 1606 70.069 40.353 45.670 1.00 0.00 WT1 H ATOM 7704 H2 TIP3 1606 68.721 41.029 45.800 1.00 0.00 WT1 H ATOM 7705 OH2 TIP3 1607 87.251 33.586 67.031 1.00 0.00 WT1 O ATOM 7706 H1 TIP3 1607 86.984 34.155 66.309 1.00 0.00 WT1 H ATOM 7707 H2 TIP3 1607 88.108 33.921 67.296 1.00 0.00 WT1 H ATOM 7708 OH2 TIP3 1608 58.026 85.572 56.410 1.00 0.00 WT1 O ATOM 7709 H1 TIP3 1608 58.089 85.724 57.353 1.00 0.00 WT1 H ATOM 7710 H2 TIP3 1608 57.901 86.443 56.035 1.00 0.00 WT1 H ATOM 7711 OH2 TIP3 1609 32.959 55.199 5.991 1.00 0.00 WT1 O ATOM 7712 H1 TIP3 1609 33.694 55.643 6.412 1.00 0.00 WT1 H ATOM 7713 H2 TIP3 1609 33.363 54.655 5.314 1.00 0.00 WT1 H ATOM 7714 OH2 TIP3 1611 84.699 42.138 -0.679 1.00 0.00 WT1 O ATOM 7715 H1 TIP3 1611 84.186 42.514 -1.395 1.00 0.00 WT1 H ATOM 7716 H2 TIP3 1611 85.009 42.896 -0.183 1.00 0.00 WT1 H ATOM 7717 OH2 TIP3 1612 76.974 75.950 13.683 1.00 0.00 WT1 O ATOM 7718 H1 TIP3 1612 76.200 76.082 13.135 1.00 0.00 WT1 H ATOM 7719 H2 TIP3 1612 76.778 76.422 14.493 1.00 0.00 WT1 H ATOM 7720 OH2 TIP3 1613 79.411 32.619 34.706 1.00 0.00 WT1 O ATOM 7721 H1 TIP3 1613 78.658 32.881 34.176 1.00 0.00 WT1 H ATOM 7722 H2 TIP3 1613 79.075 32.589 35.602 1.00 0.00 WT1 H ATOM 7723 OH2 TIP3 1614 24.171 41.599 62.212 1.00 0.00 WT1 O ATOM 7724 H1 TIP3 1614 23.821 42.486 62.120 1.00 0.00 WT1 H ATOM 7725 H2 TIP3 1614 25.113 41.724 62.325 1.00 0.00 WT1 H ATOM 7726 OH2 TIP3 1615 45.139 48.345 36.685 1.00 0.00 WT1 O ATOM 7727 H1 TIP3 1615 45.996 48.596 37.030 1.00 0.00 WT1 H ATOM 7728 H2 TIP3 1615 44.645 48.060 37.453 1.00 0.00 WT1 H ATOM 7729 OH2 TIP3 1616 46.951 89.838 53.383 1.00 0.00 WT1 O ATOM 7730 H1 TIP3 1616 47.193 89.988 52.469 1.00 0.00 WT1 H ATOM 7731 H2 TIP3 1616 46.632 88.936 53.402 1.00 0.00 WT1 H ATOM 7732 OH2 TIP3 1617 63.877 58.994 1.340 1.00 0.00 WT1 O ATOM 7733 H1 TIP3 1617 64.150 58.815 2.240 1.00 0.00 WT1 H ATOM 7734 H2 TIP3 1617 63.312 59.763 1.409 1.00 0.00 WT1 H ATOM 7735 OH2 TIP3 1618 48.044 45.452 47.107 1.00 0.00 WT1 O ATOM 7736 H1 TIP3 1618 48.948 45.581 47.394 1.00 0.00 WT1 H ATOM 7737 H2 TIP3 1618 47.863 46.202 46.540 1.00 0.00 WT1 H ATOM 7738 OH2 TIP3 1619 21.535 93.369 1.909 1.00 0.00 WT1 O ATOM 7739 H1 TIP3 1619 20.578 93.327 1.895 1.00 0.00 WT1 H ATOM 7740 H2 TIP3 1619 21.757 93.465 2.835 1.00 0.00 WT1 H ATOM 7741 OH2 TIP3 1620 50.262 94.606 -14.470 1.00 0.00 WT1 O ATOM 7742 H1 TIP3 1620 49.327 94.445 -14.602 1.00 0.00 WT1 H ATOM 7743 H2 TIP3 1620 50.626 94.648 -15.354 1.00 0.00 WT1 H ATOM 7744 OH2 TIP3 1621 81.088 23.034 45.070 1.00 0.00 WT1 O ATOM 7745 H1 TIP3 1621 80.751 23.388 44.247 1.00 0.00 WT1 H ATOM 7746 H2 TIP3 1621 81.656 23.723 45.413 1.00 0.00 WT1 H ATOM 7747 OH2 TIP3 1622 67.323 36.474 65.148 1.00 0.00 WT1 O ATOM 7748 H1 TIP3 1622 66.590 36.262 65.725 1.00 0.00 WT1 H ATOM 7749 H2 TIP3 1622 68.102 36.322 65.683 1.00 0.00 WT1 H ATOM 7750 OH2 TIP3 1623 90.682 62.372 64.700 1.00 0.00 WT1 O ATOM 7751 H1 TIP3 1623 90.265 63.080 64.208 1.00 0.00 WT1 H ATOM 7752 H2 TIP3 1623 90.592 62.632 65.617 1.00 0.00 WT1 H ATOM 7753 OH2 TIP3 1624 31.915 12.279 2.702 1.00 0.00 WT1 O ATOM 7754 H1 TIP3 1624 31.826 12.767 3.521 1.00 0.00 WT1 H ATOM 7755 H2 TIP3 1624 31.913 11.360 2.970 1.00 0.00 WT1 H ATOM 7756 OH2 TIP3 1625 63.951 81.590 64.281 1.00 0.00 WT1 O ATOM 7757 H1 TIP3 1625 64.137 81.021 65.029 1.00 0.00 WT1 H ATOM 7758 H2 TIP3 1625 63.081 81.946 64.461 1.00 0.00 WT1 H ATOM 7759 OH2 TIP3 1626 54.725 11.381 26.078 1.00 0.00 WT1 O ATOM 7760 H1 TIP3 1626 54.928 10.513 26.428 1.00 0.00 WT1 H ATOM 7761 H2 TIP3 1626 53.878 11.273 25.645 1.00 0.00 WT1 H ATOM 7762 OH2 TIP3 1627 33.155 1.447 -16.711 1.00 0.00 WT1 O ATOM 7763 H1 TIP3 1627 32.525 0.967 -16.173 1.00 0.00 WT1 H ATOM 7764 H2 TIP3 1627 33.999 1.296 -16.284 1.00 0.00 WT1 H ATOM 7765 OH2 TIP3 1628 83.096 51.777 -8.484 1.00 0.00 WT1 O ATOM 7766 H1 TIP3 1628 82.358 51.918 -9.078 1.00 0.00 WT1 H ATOM 7767 H2 TIP3 1628 83.792 51.433 -9.044 1.00 0.00 WT1 H ATOM 7768 OH2 TIP3 1629 80.680 82.275 52.763 1.00 0.00 WT1 O ATOM 7769 H1 TIP3 1629 80.442 81.892 53.607 1.00 0.00 WT1 H ATOM 7770 H2 TIP3 1629 80.611 81.550 52.142 1.00 0.00 WT1 H ATOM 7771 OH2 TIP3 1630 74.046 68.514 50.529 1.00 0.00 WT1 O ATOM 7772 H1 TIP3 1630 73.109 68.671 50.410 1.00 0.00 WT1 H ATOM 7773 H2 TIP3 1630 74.452 68.883 49.744 1.00 0.00 WT1 H ATOM 7774 OH2 TIP3 1632 28.516 60.737 7.831 1.00 0.00 WT1 O ATOM 7775 H1 TIP3 1632 28.902 61.118 8.619 1.00 0.00 WT1 H ATOM 7776 H2 TIP3 1632 28.826 61.296 7.118 1.00 0.00 WT1 H ATOM 7777 OH2 TIP3 1633 73.779 92.079 47.726 1.00 0.00 WT1 O ATOM 7778 H1 TIP3 1633 73.449 92.877 48.139 1.00 0.00 WT1 H ATOM 7779 H2 TIP3 1633 73.050 91.767 47.190 1.00 0.00 WT1 H ATOM 7780 OH2 TIP3 1634 57.733 26.164 34.063 1.00 0.00 WT1 O ATOM 7781 H1 TIP3 1634 58.349 26.723 33.591 1.00 0.00 WT1 H ATOM 7782 H2 TIP3 1634 56.871 26.521 33.849 1.00 0.00 WT1 H ATOM 7783 OH2 TIP3 1635 39.237 41.283 19.200 1.00 0.00 WT1 O ATOM 7784 H1 TIP3 1635 40.038 41.633 18.809 1.00 0.00 WT1 H ATOM 7785 H2 TIP3 1635 39.505 40.987 20.070 1.00 0.00 WT1 H ATOM 7786 OH2 TIP3 1636 46.105 1.272 -0.341 1.00 0.00 WT1 O ATOM 7787 H1 TIP3 1636 46.652 0.591 -0.731 1.00 0.00 WT1 H ATOM 7788 H2 TIP3 1636 45.992 0.997 0.569 1.00 0.00 WT1 H ATOM 7789 OH2 TIP3 1637 29.843 44.926 42.633 1.00 0.00 WT1 O ATOM 7790 H1 TIP3 1637 28.887 44.928 42.596 1.00 0.00 WT1 H ATOM 7791 H2 TIP3 1637 30.063 45.670 43.193 1.00 0.00 WT1 H ATOM 7792 OH2 TIP3 1638 21.051 24.613 14.181 1.00 0.00 WT1 O ATOM 7793 H1 TIP3 1638 21.923 24.223 14.124 1.00 0.00 WT1 H ATOM 7794 H2 TIP3 1638 20.460 23.926 13.872 1.00 0.00 WT1 H ATOM 7795 OH2 TIP3 1639 51.707 6.384 25.197 1.00 0.00 WT1 O ATOM 7796 H1 TIP3 1639 51.549 6.698 26.087 1.00 0.00 WT1 H ATOM 7797 H2 TIP3 1639 51.874 7.178 24.689 1.00 0.00 WT1 H ATOM 7798 OH2 TIP3 1640 87.753 11.525 -3.650 1.00 0.00 WT1 O ATOM 7799 H1 TIP3 1640 87.368 12.388 -3.806 1.00 0.00 WT1 H ATOM 7800 H2 TIP3 1640 88.494 11.480 -4.255 1.00 0.00 WT1 H ATOM 7801 OH2 TIP3 1641 30.849 3.326 67.161 1.00 0.00 WT1 O ATOM 7802 H1 TIP3 1641 31.267 2.758 67.809 1.00 0.00 WT1 H ATOM 7803 H2 TIP3 1641 31.146 2.987 66.317 1.00 0.00 WT1 H ATOM 7804 OH2 TIP3 1642 35.366 45.785 21.984 1.00 0.00 WT1 O ATOM 7805 H1 TIP3 1642 35.725 46.309 21.268 1.00 0.00 WT1 H ATOM 7806 H2 TIP3 1642 35.264 44.909 21.612 1.00 0.00 WT1 H ATOM 7807 OH2 TIP3 1643 74.451 41.656 58.536 1.00 0.00 WT1 O ATOM 7808 H1 TIP3 1643 74.410 41.213 57.688 1.00 0.00 WT1 H ATOM 7809 H2 TIP3 1643 73.621 42.128 58.600 1.00 0.00 WT1 H ATOM 7810 OH2 TIP3 1645 89.739 1.182 0.572 1.00 0.00 WT1 O ATOM 7811 H1 TIP3 1645 90.537 1.694 0.438 1.00 0.00 WT1 H ATOM 7812 H2 TIP3 1645 89.849 0.790 1.439 1.00 0.00 WT1 H ATOM 7813 OH2 TIP3 1646 56.523 21.082 -6.666 1.00 0.00 WT1 O ATOM 7814 H1 TIP3 1646 56.808 20.229 -6.993 1.00 0.00 WT1 H ATOM 7815 H2 TIP3 1646 57.109 21.266 -5.932 1.00 0.00 WT1 H ATOM 7816 OH2 TIP3 1647 49.824 72.780 64.103 1.00 0.00 WT1 O ATOM 7817 H1 TIP3 1647 50.113 72.401 63.273 1.00 0.00 WT1 H ATOM 7818 H2 TIP3 1647 49.868 73.726 63.964 1.00 0.00 WT1 H ATOM 7819 OH2 TIP3 1648 39.252 91.097 12.776 1.00 0.00 WT1 O ATOM 7820 H1 TIP3 1648 39.880 91.381 12.112 1.00 0.00 WT1 H ATOM 7821 H2 TIP3 1648 38.906 90.269 12.441 1.00 0.00 WT1 H ATOM 7822 OH2 TIP3 1649 43.859 42.315 4.007 1.00 0.00 WT1 O ATOM 7823 H1 TIP3 1649 43.107 42.742 3.596 1.00 0.00 WT1 H ATOM 7824 H2 TIP3 1649 43.956 42.760 4.849 1.00 0.00 WT1 H ATOM 7825 OH2 TIP3 1651 61.028 81.021 64.027 1.00 0.00 WT1 O ATOM 7826 H1 TIP3 1651 61.397 80.174 64.276 1.00 0.00 WT1 H ATOM 7827 H2 TIP3 1651 60.393 80.813 63.341 1.00 0.00 WT1 H ATOM 7828 OH2 TIP3 1652 79.365 87.783 60.469 1.00 0.00 WT1 O ATOM 7829 H1 TIP3 1652 79.107 86.883 60.667 1.00 0.00 WT1 H ATOM 7830 H2 TIP3 1652 78.539 88.261 60.401 1.00 0.00 WT1 H ATOM 7831 OH2 TIP3 1653 35.028 71.218 56.079 1.00 0.00 WT1 O ATOM 7832 H1 TIP3 1653 34.951 72.115 56.403 1.00 0.00 WT1 H ATOM 7833 H2 TIP3 1653 34.202 70.801 56.325 1.00 0.00 WT1 H ATOM 7834 OH2 TIP3 1655 29.229 61.413 42.253 1.00 0.00 WT1 O ATOM 7835 H1 TIP3 1655 28.874 60.936 43.003 1.00 0.00 WT1 H ATOM 7836 H2 TIP3 1655 30.125 61.630 42.509 1.00 0.00 WT1 H ATOM 7837 OH2 TIP3 1656 65.824 36.738 42.938 1.00 0.00 WT1 O ATOM 7838 H1 TIP3 1656 66.230 37.201 43.670 1.00 0.00 WT1 H ATOM 7839 H2 TIP3 1656 66.540 36.593 42.319 1.00 0.00 WT1 H ATOM 7840 OH2 TIP3 1657 55.655 93.753 32.250 1.00 0.00 WT1 O ATOM 7841 H1 TIP3 1657 56.203 92.969 32.223 1.00 0.00 WT1 H ATOM 7842 H2 TIP3 1657 54.830 93.483 31.848 1.00 0.00 WT1 H ATOM 7843 OH2 TIP3 1658 69.055 14.788 42.160 1.00 0.00 WT1 O ATOM 7844 H1 TIP3 1658 68.200 14.375 42.287 1.00 0.00 WT1 H ATOM 7845 H2 TIP3 1658 69.666 14.055 42.085 1.00 0.00 WT1 H ATOM 7846 OH2 TIP3 1659 40.994 52.858 63.473 1.00 0.00 WT1 O ATOM 7847 H1 TIP3 1659 40.239 53.445 63.422 1.00 0.00 WT1 H ATOM 7848 H2 TIP3 1659 41.570 53.265 64.119 1.00 0.00 WT1 H ATOM 7849 OH2 TIP3 1660 59.281 57.942 16.053 1.00 0.00 WT1 O ATOM 7850 H1 TIP3 1660 59.171 57.272 15.379 1.00 0.00 WT1 H ATOM 7851 H2 TIP3 1660 58.393 58.253 16.229 1.00 0.00 WT1 H ATOM 7852 OH2 TIP3 1661 84.398 34.304 28.219 1.00 0.00 WT1 O ATOM 7853 H1 TIP3 1661 84.687 35.162 28.530 1.00 0.00 WT1 H ATOM 7854 H2 TIP3 1661 84.660 34.282 27.298 1.00 0.00 WT1 H ATOM 7855 OH2 TIP3 1663 43.091 54.196 64.909 1.00 0.00 WT1 O ATOM 7856 H1 TIP3 1663 43.893 54.551 64.526 1.00 0.00 WT1 H ATOM 7857 H2 TIP3 1663 43.003 54.651 65.746 1.00 0.00 WT1 H ATOM 7858 OH2 TIP3 1664 88.335 29.551 65.795 1.00 0.00 WT1 O ATOM 7859 H1 TIP3 1664 87.674 29.623 66.483 1.00 0.00 WT1 H ATOM 7860 H2 TIP3 1664 88.160 30.293 65.216 1.00 0.00 WT1 H ATOM 7861 OH2 TIP3 1665 57.193 69.632 21.648 1.00 0.00 WT1 O ATOM 7862 H1 TIP3 1665 57.519 68.797 21.312 1.00 0.00 WT1 H ATOM 7863 H2 TIP3 1665 57.846 69.901 22.295 1.00 0.00 WT1 H ATOM 7864 OH2 TIP3 1666 31.120 40.487 6.631 1.00 0.00 WT1 O ATOM 7865 H1 TIP3 1666 31.892 40.041 6.978 1.00 0.00 WT1 H ATOM 7866 H2 TIP3 1666 31.340 40.673 5.718 1.00 0.00 WT1 H ATOM 7867 OH2 TIP3 1667 28.213 87.698 24.072 1.00 0.00 WT1 O ATOM 7868 H1 TIP3 1667 28.970 88.200 23.768 1.00 0.00 WT1 H ATOM 7869 H2 TIP3 1667 28.446 87.428 24.961 1.00 0.00 WT1 H ATOM 7870 OH2 TIP3 1668 67.058 45.808 51.460 1.00 0.00 WT1 O ATOM 7871 H1 TIP3 1668 66.592 46.274 52.154 1.00 0.00 WT1 H ATOM 7872 H2 TIP3 1668 66.392 45.646 50.791 1.00 0.00 WT1 H ATOM 7873 OH2 TIP3 1669 83.528 81.863 -6.908 1.00 0.00 WT1 O ATOM 7874 H1 TIP3 1669 83.729 82.799 -6.933 1.00 0.00 WT1 H ATOM 7875 H2 TIP3 1669 82.644 81.817 -6.543 1.00 0.00 WT1 H ATOM 7876 OH2 TIP3 1670 40.120 92.867 62.381 1.00 0.00 WT1 O ATOM 7877 H1 TIP3 1670 39.572 92.083 62.359 1.00 0.00 WT1 H ATOM 7878 H2 TIP3 1670 40.530 92.898 61.516 1.00 0.00 WT1 H ATOM 7879 OH2 TIP3 1671 28.910 75.951 14.334 1.00 0.00 WT1 O ATOM 7880 H1 TIP3 1671 28.474 75.158 14.021 1.00 0.00 WT1 H ATOM 7881 H2 TIP3 1671 29.823 75.689 14.459 1.00 0.00 WT1 H ATOM 7882 OH2 TIP3 1672 69.063 41.392 -4.400 1.00 0.00 WT1 O ATOM 7883 H1 TIP3 1672 68.442 40.723 -4.688 1.00 0.00 WT1 H ATOM 7884 H2 TIP3 1672 68.530 42.018 -3.909 1.00 0.00 WT1 H ATOM 7885 OH2 TIP3 1673 88.231 58.078 51.321 1.00 0.00 WT1 O ATOM 7886 H1 TIP3 1673 87.358 58.113 51.710 1.00 0.00 WT1 H ATOM 7887 H2 TIP3 1673 88.523 57.178 51.467 1.00 0.00 WT1 H ATOM 7888 OH2 TIP3 1675 62.560 31.351 39.278 1.00 0.00 WT1 O ATOM 7889 H1 TIP3 1675 62.237 31.918 38.578 1.00 0.00 WT1 H ATOM 7890 H2 TIP3 1675 63.147 31.910 39.788 1.00 0.00 WT1 H ATOM 7891 OH2 TIP3 1676 85.319 78.936 18.103 1.00 0.00 WT1 O ATOM 7892 H1 TIP3 1676 86.241 78.809 18.325 1.00 0.00 WT1 H ATOM 7893 H2 TIP3 1676 84.845 78.690 18.897 1.00 0.00 WT1 H ATOM 7894 OH2 TIP3 1677 55.241 90.463 19.104 1.00 0.00 WT1 O ATOM 7895 H1 TIP3 1677 55.030 91.113 19.774 1.00 0.00 WT1 H ATOM 7896 H2 TIP3 1677 54.402 90.056 18.891 1.00 0.00 WT1 H ATOM 7897 OH2 TIP3 1678 80.144 77.501 11.278 1.00 0.00 WT1 O ATOM 7898 H1 TIP3 1678 79.685 77.002 11.954 1.00 0.00 WT1 H ATOM 7899 H2 TIP3 1678 81.071 77.407 11.498 1.00 0.00 WT1 H ATOM 7900 OH2 TIP3 1679 80.596 40.139 -12.373 1.00 0.00 WT1 O ATOM 7901 H1 TIP3 1679 80.194 40.905 -12.782 1.00 0.00 WT1 H ATOM 7902 H2 TIP3 1679 80.038 39.947 -11.619 1.00 0.00 WT1 H ATOM 7903 OH2 TIP3 1680 33.079 66.922 57.871 1.00 0.00 WT1 O ATOM 7904 H1 TIP3 1680 33.463 66.547 57.079 1.00 0.00 WT1 H ATOM 7905 H2 TIP3 1680 32.149 66.703 57.813 1.00 0.00 WT1 H ATOM 7906 OH2 TIP3 1681 52.195 84.004 40.783 1.00 0.00 WT1 O ATOM 7907 H1 TIP3 1681 52.457 84.652 40.129 1.00 0.00 WT1 H ATOM 7908 H2 TIP3 1681 52.035 83.206 40.281 1.00 0.00 WT1 H ATOM 7909 OH2 TIP3 1682 38.357 14.579 23.603 1.00 0.00 WT1 O ATOM 7910 H1 TIP3 1682 39.133 14.019 23.601 1.00 0.00 WT1 H ATOM 7911 H2 TIP3 1682 38.444 15.113 22.814 1.00 0.00 WT1 H ATOM 7912 OH2 TIP3 1683 42.858 13.797 7.492 1.00 0.00 WT1 O ATOM 7913 H1 TIP3 1683 43.638 14.114 7.946 1.00 0.00 WT1 H ATOM 7914 H2 TIP3 1683 42.873 12.849 7.623 1.00 0.00 WT1 H ATOM 7915 OH2 TIP3 1684 66.921 59.072 1.639 1.00 0.00 WT1 O ATOM 7916 H1 TIP3 1684 67.754 59.179 2.098 1.00 0.00 WT1 H ATOM 7917 H2 TIP3 1684 66.262 59.071 2.334 1.00 0.00 WT1 H ATOM 7918 OH2 TIP3 1685 76.414 66.295 -5.996 1.00 0.00 WT1 O ATOM 7919 H1 TIP3 1685 76.245 66.713 -6.840 1.00 0.00 WT1 H ATOM 7920 H2 TIP3 1685 76.337 65.358 -6.173 1.00 0.00 WT1 H ATOM 7921 OH2 TIP3 1686 52.286 65.827 -8.738 1.00 0.00 WT1 O ATOM 7922 H1 TIP3 1686 53.222 65.865 -8.539 1.00 0.00 WT1 H ATOM 7923 H2 TIP3 1686 51.962 65.083 -8.229 1.00 0.00 WT1 H ATOM 7924 OH2 TIP3 1687 86.134 57.832 -11.787 1.00 0.00 WT1 O ATOM 7925 H1 TIP3 1687 86.868 57.950 -12.390 1.00 0.00 WT1 H ATOM 7926 H2 TIP3 1687 86.192 56.915 -11.516 1.00 0.00 WT1 H ATOM 7927 OH2 TIP3 1688 36.011 73.850 35.759 1.00 0.00 WT1 O ATOM 7928 H1 TIP3 1688 36.881 74.088 35.437 1.00 0.00 WT1 H ATOM 7929 H2 TIP3 1688 36.181 73.295 36.520 1.00 0.00 WT1 H ATOM 7930 OH2 TIP3 1689 74.882 51.252 6.166 1.00 0.00 WT1 O ATOM 7931 H1 TIP3 1689 74.458 50.480 6.541 1.00 0.00 WT1 H ATOM 7932 H2 TIP3 1689 74.211 51.933 6.194 1.00 0.00 WT1 H ATOM 7933 OH2 TIP3 1690 37.583 26.700 23.019 1.00 0.00 WT1 O ATOM 7934 H1 TIP3 1690 36.742 26.859 22.590 1.00 0.00 WT1 H ATOM 7935 H2 TIP3 1690 37.884 25.867 22.657 1.00 0.00 WT1 H ATOM 7936 OH2 TIP3 1691 20.994 66.209 0.958 1.00 0.00 WT1 O ATOM 7937 H1 TIP3 1691 20.599 66.322 0.094 1.00 0.00 WT1 H ATOM 7938 H2 TIP3 1691 21.730 65.615 0.810 1.00 0.00 WT1 H ATOM 7939 OH2 TIP3 1692 65.817 60.290 -18.548 1.00 0.00 WT1 O ATOM 7940 H1 TIP3 1692 66.235 59.507 -18.189 1.00 0.00 WT1 H ATOM 7941 H2 TIP3 1692 65.473 60.750 -17.782 1.00 0.00 WT1 H ATOM 7942 OH2 TIP3 1693 54.847 47.556 -0.317 1.00 0.00 WT1 O ATOM 7943 H1 TIP3 1693 54.620 47.424 0.603 1.00 0.00 WT1 H ATOM 7944 H2 TIP3 1693 54.226 48.216 -0.626 1.00 0.00 WT1 H ATOM 7945 OH2 TIP3 1694 44.907 5.507 7.388 1.00 0.00 WT1 O ATOM 7946 H1 TIP3 1694 44.597 5.725 8.267 1.00 0.00 WT1 H ATOM 7947 H2 TIP3 1694 45.790 5.163 7.524 1.00 0.00 WT1 H ATOM 7948 OH2 TIP3 1696 86.831 46.111 34.367 1.00 0.00 WT1 O ATOM 7949 H1 TIP3 1696 85.939 45.928 34.070 1.00 0.00 WT1 H ATOM 7950 H2 TIP3 1696 86.725 46.427 35.264 1.00 0.00 WT1 H ATOM 7951 OH2 TIP3 1697 51.414 38.268 52.075 1.00 0.00 WT1 O ATOM 7952 H1 TIP3 1697 50.913 38.040 51.293 1.00 0.00 WT1 H ATOM 7953 H2 TIP3 1697 50.751 38.506 52.724 1.00 0.00 WT1 H ATOM 7954 OH2 TIP3 1698 81.030 59.149 -0.213 1.00 0.00 WT1 O ATOM 7955 H1 TIP3 1698 80.207 59.631 -0.133 1.00 0.00 WT1 H ATOM 7956 H2 TIP3 1698 81.169 58.766 0.654 1.00 0.00 WT1 H ATOM 7957 OH2 TIP3 1700 58.542 39.719 -18.431 1.00 0.00 WT1 O ATOM 7958 H1 TIP3 1700 59.232 39.857 -17.783 1.00 0.00 WT1 H ATOM 7959 H2 TIP3 1700 58.658 40.431 -19.060 1.00 0.00 WT1 H ATOM 7960 OH2 TIP3 1701 62.923 29.236 10.946 1.00 0.00 WT1 O ATOM 7961 H1 TIP3 1701 62.655 29.957 10.376 1.00 0.00 WT1 H ATOM 7962 H2 TIP3 1701 63.261 28.570 10.347 1.00 0.00 WT1 H ATOM 7963 OH2 TIP3 1702 22.007 13.896 45.239 1.00 0.00 WT1 O ATOM 7964 H1 TIP3 1702 21.221 14.180 44.771 1.00 0.00 WT1 H ATOM 7965 H2 TIP3 1702 21.676 13.350 45.953 1.00 0.00 WT1 H ATOM 7966 OH2 TIP3 1703 20.874 67.829 45.891 1.00 0.00 WT1 O ATOM 7967 H1 TIP3 1703 20.928 66.877 45.977 1.00 0.00 WT1 H ATOM 7968 H2 TIP3 1703 21.274 68.165 46.694 1.00 0.00 WT1 H ATOM 7969 OH2 TIP3 1704 28.273 50.946 66.905 1.00 0.00 WT1 O ATOM 7970 H1 TIP3 1704 27.794 50.783 67.717 1.00 0.00 WT1 H ATOM 7971 H2 TIP3 1704 28.075 51.857 66.688 1.00 0.00 WT1 H ATOM 7972 OH2 TIP3 1706 60.188 45.120 55.930 1.00 0.00 WT1 O ATOM 7973 H1 TIP3 1706 60.766 44.379 55.745 1.00 0.00 WT1 H ATOM 7974 H2 TIP3 1706 60.079 45.107 56.881 1.00 0.00 WT1 H ATOM 7975 OH2 TIP3 1707 80.244 80.471 13.168 1.00 0.00 WT1 O ATOM 7976 H1 TIP3 1707 79.822 81.315 13.332 1.00 0.00 WT1 H ATOM 7977 H2 TIP3 1707 80.123 80.321 12.230 1.00 0.00 WT1 H ATOM 7978 OH2 TIP3 1708 47.422 60.940 3.343 1.00 0.00 WT1 O ATOM 7979 H1 TIP3 1708 47.664 61.845 3.535 1.00 0.00 WT1 H ATOM 7980 H2 TIP3 1708 48.228 60.442 3.479 1.00 0.00 WT1 H ATOM 7981 OH2 TIP3 1710 23.928 54.718 39.513 1.00 0.00 WT1 O ATOM 7982 H1 TIP3 1710 23.404 54.022 39.118 1.00 0.00 WT1 H ATOM 7983 H2 TIP3 1710 23.924 55.421 38.862 1.00 0.00 WT1 H ATOM 7984 OH2 TIP3 1711 27.436 47.385 45.103 1.00 0.00 WT1 O ATOM 7985 H1 TIP3 1711 26.508 47.166 45.019 1.00 0.00 WT1 H ATOM 7986 H2 TIP3 1711 27.540 47.641 46.020 1.00 0.00 WT1 H ATOM 7987 OH2 TIP3 1713 85.391 43.771 61.387 1.00 0.00 WT1 O ATOM 7988 H1 TIP3 1713 84.768 44.497 61.430 1.00 0.00 WT1 H ATOM 7989 H2 TIP3 1713 85.270 43.302 62.212 1.00 0.00 WT1 H ATOM 7990 OH2 TIP3 1714 68.169 10.408 64.847 1.00 0.00 WT1 O ATOM 7991 H1 TIP3 1714 68.187 10.869 64.008 1.00 0.00 WT1 H ATOM 7992 H2 TIP3 1714 68.790 9.687 64.738 1.00 0.00 WT1 H ATOM 7993 OH2 TIP3 1715 47.505 69.614 -5.210 1.00 0.00 WT1 O ATOM 7994 H1 TIP3 1715 47.725 69.320 -4.325 1.00 0.00 WT1 H ATOM 7995 H2 TIP3 1715 48.241 70.169 -5.468 1.00 0.00 WT1 H ATOM 7996 OH2 TIP3 1716 31.849 2.979 17.437 1.00 0.00 WT1 O ATOM 7997 H1 TIP3 1716 31.100 3.242 17.972 1.00 0.00 WT1 H ATOM 7998 H2 TIP3 1716 32.593 3.001 18.038 1.00 0.00 WT1 H ATOM 7999 OH2 TIP3 1717 89.822 56.660 45.220 1.00 0.00 WT1 O ATOM 8000 H1 TIP3 1717 90.069 55.774 44.952 1.00 0.00 WT1 H ATOM 8001 H2 TIP3 1717 90.645 57.068 45.486 1.00 0.00 WT1 H ATOM 8002 OH2 TIP3 1718 26.789 9.242 59.936 1.00 0.00 WT1 O ATOM 8003 H1 TIP3 1718 27.449 9.917 60.097 1.00 0.00 WT1 H ATOM 8004 H2 TIP3 1718 26.092 9.695 59.462 1.00 0.00 WT1 H ATOM 8005 OH2 TIP3 1719 40.858 53.679 37.946 1.00 0.00 WT1 O ATOM 8006 H1 TIP3 1719 41.259 54.524 38.151 1.00 0.00 WT1 H ATOM 8007 H2 TIP3 1719 41.199 53.455 37.080 1.00 0.00 WT1 H ATOM 8008 OH2 TIP3 1720 61.471 46.236 46.557 1.00 0.00 WT1 O ATOM 8009 H1 TIP3 1720 61.134 47.116 46.389 1.00 0.00 WT1 H ATOM 8010 H2 TIP3 1720 62.224 46.151 45.973 1.00 0.00 WT1 H ATOM 8011 OH2 TIP3 1721 88.025 81.800 1.081 1.00 0.00 WT1 O ATOM 8012 H1 TIP3 1721 87.531 81.090 1.492 1.00 0.00 WT1 H ATOM 8013 H2 TIP3 1721 88.386 81.411 0.284 1.00 0.00 WT1 H ATOM 8014 OH2 TIP3 1722 77.656 69.717 49.651 1.00 0.00 WT1 O ATOM 8015 H1 TIP3 1722 78.294 69.137 49.235 1.00 0.00 WT1 H ATOM 8016 H2 TIP3 1722 76.840 69.556 49.179 1.00 0.00 WT1 H ATOM 8017 OH2 TIP3 1723 35.486 87.977 56.844 1.00 0.00 WT1 O ATOM 8018 H1 TIP3 1723 35.490 88.789 56.337 1.00 0.00 WT1 H ATOM 8019 H2 TIP3 1723 36.101 87.405 56.384 1.00 0.00 WT1 H ATOM 8020 OH2 TIP3 1724 34.499 1.217 30.682 1.00 0.00 WT1 O ATOM 8021 H1 TIP3 1724 34.163 1.966 30.188 1.00 0.00 WT1 H ATOM 8022 H2 TIP3 1724 33.747 0.633 30.772 1.00 0.00 WT1 H ATOM 8023 OH2 TIP3 1725 72.451 5.495 57.446 1.00 0.00 WT1 O ATOM 8024 H1 TIP3 1725 73.282 5.207 57.823 1.00 0.00 WT1 H ATOM 8025 H2 TIP3 1725 72.699 6.150 56.793 1.00 0.00 WT1 H ATOM 8026 OH2 TIP3 1726 32.685 57.765 3.303 1.00 0.00 WT1 O ATOM 8027 H1 TIP3 1726 32.928 58.539 2.794 1.00 0.00 WT1 H ATOM 8028 H2 TIP3 1726 32.951 57.973 4.198 1.00 0.00 WT1 H ATOM 8029 OH2 TIP3 1727 64.617 90.420 50.669 1.00 0.00 WT1 O ATOM 8030 H1 TIP3 1727 65.179 90.220 51.417 1.00 0.00 WT1 H ATOM 8031 H2 TIP3 1727 64.546 91.374 50.670 1.00 0.00 WT1 H ATOM 8032 OH2 TIP3 1728 67.730 90.136 40.501 1.00 0.00 WT1 O ATOM 8033 H1 TIP3 1728 67.126 89.658 39.933 1.00 0.00 WT1 H ATOM 8034 H2 TIP3 1728 67.249 90.249 41.321 1.00 0.00 WT1 H ATOM 8035 OH2 TIP3 1729 41.001 24.707 67.468 1.00 0.00 WT1 O ATOM 8036 H1 TIP3 1729 40.082 24.943 67.348 1.00 0.00 WT1 H ATOM 8037 H2 TIP3 1729 41.325 24.544 66.582 1.00 0.00 WT1 H ATOM 8038 OH2 TIP3 1730 49.102 50.824 1.617 1.00 0.00 WT1 O ATOM 8039 H1 TIP3 1730 49.477 51.329 2.339 1.00 0.00 WT1 H ATOM 8040 H2 TIP3 1730 49.859 50.442 1.173 1.00 0.00 WT1 H ATOM 8041 OH2 TIP3 1731 60.084 83.272 8.195 1.00 0.00 WT1 O ATOM 8042 H1 TIP3 1731 59.847 82.395 8.498 1.00 0.00 WT1 H ATOM 8043 H2 TIP3 1731 60.373 83.143 7.291 1.00 0.00 WT1 H ATOM 8044 OH2 TIP3 1732 63.470 96.005 42.000 1.00 0.00 WT1 O ATOM 8045 H1 TIP3 1732 62.773 95.651 41.449 1.00 0.00 WT1 H ATOM 8046 H2 TIP3 1732 64.275 95.829 41.512 1.00 0.00 WT1 H ATOM 8047 OH2 TIP3 1733 36.602 5.317 41.552 1.00 0.00 WT1 O ATOM 8048 H1 TIP3 1733 37.048 4.479 41.677 1.00 0.00 WT1 H ATOM 8049 H2 TIP3 1733 36.812 5.569 40.653 1.00 0.00 WT1 H ATOM 8050 OH2 TIP3 1734 51.385 79.522 37.560 1.00 0.00 WT1 O ATOM 8051 H1 TIP3 1734 52.285 79.394 37.260 1.00 0.00 WT1 H ATOM 8052 H2 TIP3 1734 51.106 78.657 37.858 1.00 0.00 WT1 H ATOM 8053 OH2 TIP3 1735 78.833 26.873 -8.994 1.00 0.00 WT1 O ATOM 8054 H1 TIP3 1735 78.151 27.249 -8.438 1.00 0.00 WT1 H ATOM 8055 H2 TIP3 1735 78.385 26.658 -9.812 1.00 0.00 WT1 H ATOM 8056 OH2 TIP3 1736 88.275 87.707 44.615 1.00 0.00 WT1 O ATOM 8057 H1 TIP3 1736 88.780 88.396 45.049 1.00 0.00 WT1 H ATOM 8058 H2 TIP3 1736 88.188 87.021 45.276 1.00 0.00 WT1 H ATOM 8059 OH2 TIP3 1737 25.745 49.458 36.219 1.00 0.00 WT1 O ATOM 8060 H1 TIP3 1737 24.942 49.978 36.204 1.00 0.00 WT1 H ATOM 8061 H2 TIP3 1737 26.248 49.772 35.468 1.00 0.00 WT1 H ATOM 8062 OH2 TIP3 1738 71.224 42.758 54.809 1.00 0.00 WT1 O ATOM 8063 H1 TIP3 1738 70.892 43.022 53.951 1.00 0.00 WT1 H ATOM 8064 H2 TIP3 1738 70.671 43.225 55.435 1.00 0.00 WT1 H ATOM 8065 OH2 TIP3 1739 20.287 0.394 10.551 1.00 0.00 WT1 O ATOM 8066 H1 TIP3 1739 20.491 1.270 10.880 1.00 0.00 WT1 H ATOM 8067 H2 TIP3 1739 20.392 0.464 9.602 1.00 0.00 WT1 H ATOM 8068 OH2 TIP3 1741 65.221 16.846 12.178 1.00 0.00 WT1 O ATOM 8069 H1 TIP3 1741 64.469 16.682 12.748 1.00 0.00 WT1 H ATOM 8070 H2 TIP3 1741 65.973 16.859 12.771 1.00 0.00 WT1 H ATOM 8071 OH2 TIP3 1742 29.623 52.808 38.925 1.00 0.00 WT1 O ATOM 8072 H1 TIP3 1742 29.658 53.705 38.593 1.00 0.00 WT1 H ATOM 8073 H2 TIP3 1742 30.513 52.629 39.227 1.00 0.00 WT1 H ATOM 8074 OH2 TIP3 1743 40.513 41.882 32.167 1.00 0.00 WT1 O ATOM 8075 H1 TIP3 1743 40.939 42.153 31.355 1.00 0.00 WT1 H ATOM 8076 H2 TIP3 1743 41.031 42.293 32.859 1.00 0.00 WT1 H ATOM 8077 OH2 TIP3 1744 58.157 77.788 58.716 1.00 0.00 WT1 O ATOM 8078 H1 TIP3 1744 57.781 76.920 58.862 1.00 0.00 WT1 H ATOM 8079 H2 TIP3 1744 58.582 78.008 59.545 1.00 0.00 WT1 H ATOM 8080 OH2 TIP3 1745 85.069 38.001 60.306 1.00 0.00 WT1 O ATOM 8081 H1 TIP3 1745 85.605 38.724 60.632 1.00 0.00 WT1 H ATOM 8082 H2 TIP3 1745 85.527 37.696 59.523 1.00 0.00 WT1 H ATOM 8083 OH2 TIP3 1746 78.221 71.532 43.475 1.00 0.00 WT1 O ATOM 8084 H1 TIP3 1746 79.120 71.409 43.782 1.00 0.00 WT1 H ATOM 8085 H2 TIP3 1746 78.251 71.303 42.547 1.00 0.00 WT1 H ATOM 8086 OH2 TIP3 1747 88.373 57.855 63.916 1.00 0.00 WT1 O ATOM 8087 H1 TIP3 1747 88.128 57.932 62.994 1.00 0.00 WT1 H ATOM 8088 H2 TIP3 1747 87.797 57.174 64.262 1.00 0.00 WT1 H ATOM 8089 OH2 TIP3 1748 58.226 25.409 52.950 1.00 0.00 WT1 O ATOM 8090 H1 TIP3 1748 57.526 25.909 53.371 1.00 0.00 WT1 H ATOM 8091 H2 TIP3 1748 58.897 26.060 52.747 1.00 0.00 WT1 H ATOM 8092 OH2 TIP3 1749 71.205 3.109 -9.506 1.00 0.00 WT1 O ATOM 8093 H1 TIP3 1749 71.087 2.447 -10.186 1.00 0.00 WT1 H ATOM 8094 H2 TIP3 1749 71.974 2.817 -9.017 1.00 0.00 WT1 H ATOM 8095 OH2 TIP3 1750 80.043 38.699 32.262 1.00 0.00 WT1 O ATOM 8096 H1 TIP3 1750 80.882 39.095 32.497 1.00 0.00 WT1 H ATOM 8097 H2 TIP3 1750 79.794 38.189 33.033 1.00 0.00 WT1 H ATOM 8098 OH2 TIP3 1751 85.499 46.976 -17.013 1.00 0.00 WT1 O ATOM 8099 H1 TIP3 1751 84.931 46.992 -17.783 1.00 0.00 WT1 H ATOM 8100 H2 TIP3 1751 85.448 46.074 -16.697 1.00 0.00 WT1 H ATOM 8101 OH2 TIP3 1752 37.937 66.343 -9.048 1.00 0.00 WT1 O ATOM 8102 H1 TIP3 1752 38.399 66.924 -9.653 1.00 0.00 WT1 H ATOM 8103 H2 TIP3 1752 37.862 65.514 -9.520 1.00 0.00 WT1 H ATOM 8104 OH2 TIP3 1753 64.306 57.976 51.242 1.00 0.00 WT1 O ATOM 8105 H1 TIP3 1753 64.433 57.311 50.566 1.00 0.00 WT1 H ATOM 8106 H2 TIP3 1753 63.588 58.518 50.915 1.00 0.00 WT1 H ATOM 8107 OH2 TIP3 1754 66.125 90.963 11.571 1.00 0.00 WT1 O ATOM 8108 H1 TIP3 1754 66.223 90.101 11.167 1.00 0.00 WT1 H ATOM 8109 H2 TIP3 1754 66.494 90.860 12.448 1.00 0.00 WT1 H ATOM 8110 OH2 TIP3 1755 21.456 92.549 38.649 1.00 0.00 WT1 O ATOM 8111 H1 TIP3 1755 21.283 91.951 37.922 1.00 0.00 WT1 H ATOM 8112 H2 TIP3 1755 21.236 93.415 38.305 1.00 0.00 WT1 H ATOM 8113 OH2 TIP3 1756 68.927 83.185 -9.169 1.00 0.00 WT1 O ATOM 8114 H1 TIP3 1756 68.253 82.511 -9.258 1.00 0.00 WT1 H ATOM 8115 H2 TIP3 1756 68.580 83.936 -9.651 1.00 0.00 WT1 H ATOM 8116 OH2 TIP3 1757 81.064 41.755 -8.758 1.00 0.00 WT1 O ATOM 8117 H1 TIP3 1757 81.847 41.773 -9.308 1.00 0.00 WT1 H ATOM 8118 H2 TIP3 1757 81.396 41.851 -7.865 1.00 0.00 WT1 H ATOM 8119 OH2 TIP3 1758 86.553 27.664 -2.946 1.00 0.00 WT1 O ATOM 8120 H1 TIP3 1758 86.184 27.099 -2.268 1.00 0.00 WT1 H ATOM 8121 H2 TIP3 1758 87.110 28.279 -2.469 1.00 0.00 WT1 H ATOM 8122 OH2 TIP3 1759 84.111 76.645 41.981 1.00 0.00 WT1 O ATOM 8123 H1 TIP3 1759 84.637 76.312 41.254 1.00 0.00 WT1 H ATOM 8124 H2 TIP3 1759 84.695 77.243 42.446 1.00 0.00 WT1 H ATOM 8125 OH2 TIP3 1760 51.947 8.601 23.567 1.00 0.00 WT1 O ATOM 8126 H1 TIP3 1760 51.529 9.244 22.994 1.00 0.00 WT1 H ATOM 8127 H2 TIP3 1760 52.822 8.484 23.198 1.00 0.00 WT1 H ATOM 8128 OH2 TIP3 1761 75.137 28.840 60.063 1.00 0.00 WT1 O ATOM 8129 H1 TIP3 1761 74.309 28.374 60.181 1.00 0.00 WT1 H ATOM 8130 H2 TIP3 1761 75.448 28.563 59.201 1.00 0.00 WT1 H ATOM 8131 OH2 TIP3 1762 30.246 24.490 -0.593 1.00 0.00 WT1 O ATOM 8132 H1 TIP3 1762 30.635 25.357 -0.704 1.00 0.00 WT1 H ATOM 8133 H2 TIP3 1762 30.988 23.914 -0.412 1.00 0.00 WT1 H ATOM 8134 OH2 TIP3 1763 73.158 91.002 64.150 1.00 0.00 WT1 O ATOM 8135 H1 TIP3 1763 73.394 91.894 64.404 1.00 0.00 WT1 H ATOM 8136 H2 TIP3 1763 73.666 90.836 63.356 1.00 0.00 WT1 H ATOM 8137 OH2 TIP3 1764 32.486 18.865 2.786 1.00 0.00 WT1 O ATOM 8138 H1 TIP3 1764 32.262 19.780 2.616 1.00 0.00 WT1 H ATOM 8139 H2 TIP3 1764 33.411 18.885 3.030 1.00 0.00 WT1 H ATOM 8140 OH2 TIP3 1765 78.189 6.487 43.031 1.00 0.00 WT1 O ATOM 8141 H1 TIP3 1765 78.568 7.366 43.060 1.00 0.00 WT1 H ATOM 8142 H2 TIP3 1765 77.371 6.594 42.544 1.00 0.00 WT1 H ATOM 8143 OH2 TIP3 1766 68.762 6.191 14.764 1.00 0.00 WT1 O ATOM 8144 H1 TIP3 1766 68.596 5.265 14.586 1.00 0.00 WT1 H ATOM 8145 H2 TIP3 1766 69.703 6.297 14.624 1.00 0.00 WT1 H ATOM 8146 OH2 TIP3 1767 39.433 73.393 -15.676 1.00 0.00 WT1 O ATOM 8147 H1 TIP3 1767 39.345 74.077 -16.340 1.00 0.00 WT1 H ATOM 8148 H2 TIP3 1767 38.578 73.364 -15.247 1.00 0.00 WT1 H ATOM 8149 OH2 TIP3 1768 20.944 12.489 -11.932 1.00 0.00 WT1 O ATOM 8150 H1 TIP3 1768 21.667 13.078 -11.718 1.00 0.00 WT1 H ATOM 8151 H2 TIP3 1768 20.661 12.762 -12.805 1.00 0.00 WT1 H ATOM 8152 OH2 TIP3 1769 39.205 56.059 34.614 1.00 0.00 WT1 O ATOM 8153 H1 TIP3 1769 39.513 56.320 33.746 1.00 0.00 WT1 H ATOM 8154 H2 TIP3 1769 40.005 55.903 35.116 1.00 0.00 WT1 H ATOM 8155 OH2 TIP3 1770 85.446 58.800 -14.338 1.00 0.00 WT1 O ATOM 8156 H1 TIP3 1770 84.565 58.622 -14.668 1.00 0.00 WT1 H ATOM 8157 H2 TIP3 1770 85.336 58.871 -13.389 1.00 0.00 WT1 H ATOM 8158 OH2 TIP3 1771 41.911 94.213 34.691 1.00 0.00 WT1 O ATOM 8159 H1 TIP3 1771 41.117 94.558 35.099 1.00 0.00 WT1 H ATOM 8160 H2 TIP3 1771 42.626 94.568 35.220 1.00 0.00 WT1 H ATOM 8161 OH2 TIP3 1772 55.320 78.550 44.211 1.00 0.00 WT1 O ATOM 8162 H1 TIP3 1772 54.802 78.088 44.870 1.00 0.00 WT1 H ATOM 8163 H2 TIP3 1772 55.264 77.998 43.431 1.00 0.00 WT1 H ATOM 8164 OH2 TIP3 1773 53.654 48.740 46.494 1.00 0.00 WT1 O ATOM 8165 H1 TIP3 1773 54.012 48.704 45.607 1.00 0.00 WT1 H ATOM 8166 H2 TIP3 1773 54.285 48.257 47.027 1.00 0.00 WT1 H ATOM 8167 OH2 TIP3 1774 53.802 46.241 -6.931 1.00 0.00 WT1 O ATOM 8168 H1 TIP3 1774 53.214 46.510 -6.225 1.00 0.00 WT1 H ATOM 8169 H2 TIP3 1774 54.681 46.353 -6.568 1.00 0.00 WT1 H ATOM 8170 OH2 TIP3 1775 45.111 63.913 55.962 1.00 0.00 WT1 O ATOM 8171 H1 TIP3 1775 45.513 63.082 56.216 1.00 0.00 WT1 H ATOM 8172 H2 TIP3 1775 45.476 64.102 55.098 1.00 0.00 WT1 H ATOM 8173 OH2 TIP3 1776 88.227 88.859 1.876 1.00 0.00 WT1 O ATOM 8174 H1 TIP3 1776 87.962 88.079 2.364 1.00 0.00 WT1 H ATOM 8175 H2 TIP3 1776 88.071 89.585 2.481 1.00 0.00 WT1 H ATOM 8176 OH2 TIP3 1777 30.232 51.631 33.267 1.00 0.00 WT1 O ATOM 8177 H1 TIP3 1777 30.126 51.686 34.216 1.00 0.00 WT1 H ATOM 8178 H2 TIP3 1777 29.347 51.479 32.935 1.00 0.00 WT1 H ATOM 8179 OH2 TIP3 1778 30.286 20.578 15.144 1.00 0.00 WT1 O ATOM 8180 H1 TIP3 1778 30.369 21.409 14.677 1.00 0.00 WT1 H ATOM 8181 H2 TIP3 1778 30.643 20.756 16.014 1.00 0.00 WT1 H ATOM 8182 OH2 TIP3 1779 68.477 37.396 62.563 1.00 0.00 WT1 O ATOM 8183 H1 TIP3 1779 68.036 37.058 63.342 1.00 0.00 WT1 H ATOM 8184 H2 TIP3 1779 69.395 37.474 62.821 1.00 0.00 WT1 H ATOM 8185 OH2 TIP3 1781 61.430 20.176 -2.864 1.00 0.00 WT1 O ATOM 8186 H1 TIP3 1781 61.946 19.385 -2.705 1.00 0.00 WT1 H ATOM 8187 H2 TIP3 1781 60.837 19.936 -3.576 1.00 0.00 WT1 H ATOM 8188 OH2 TIP3 1782 61.591 78.508 64.758 1.00 0.00 WT1 O ATOM 8189 H1 TIP3 1782 61.513 77.627 65.125 1.00 0.00 WT1 H ATOM 8190 H2 TIP3 1782 61.776 78.365 63.829 1.00 0.00 WT1 H ATOM 8191 OH2 TIP3 1783 58.137 72.195 55.974 1.00 0.00 WT1 O ATOM 8192 H1 TIP3 1783 57.836 71.289 55.910 1.00 0.00 WT1 H ATOM 8193 H2 TIP3 1783 57.820 72.494 56.826 1.00 0.00 WT1 H ATOM 8194 OH2 TIP3 1784 48.246 31.513 -9.040 1.00 0.00 WT1 O ATOM 8195 H1 TIP3 1784 47.440 31.882 -8.679 1.00 0.00 WT1 H ATOM 8196 H2 TIP3 1784 48.356 30.682 -8.579 1.00 0.00 WT1 H ATOM 8197 OH2 TIP3 1785 56.194 29.598 39.625 1.00 0.00 WT1 O ATOM 8198 H1 TIP3 1785 55.953 30.150 38.881 1.00 0.00 WT1 H ATOM 8199 H2 TIP3 1785 55.396 29.111 39.830 1.00 0.00 WT1 H ATOM 8200 OH2 TIP3 1786 34.866 89.821 38.000 1.00 0.00 WT1 O ATOM 8201 H1 TIP3 1786 35.069 89.829 38.935 1.00 0.00 WT1 H ATOM 8202 H2 TIP3 1786 35.146 88.956 37.701 1.00 0.00 WT1 H ATOM 8203 OH2 TIP3 1787 41.584 54.787 18.506 1.00 0.00 WT1 O ATOM 8204 H1 TIP3 1787 40.652 54.583 18.424 1.00 0.00 WT1 H ATOM 8205 H2 TIP3 1787 41.625 55.742 18.462 1.00 0.00 WT1 H ATOM 8206 OH2 TIP3 1788 41.030 31.648 35.199 1.00 0.00 WT1 O ATOM 8207 H1 TIP3 1788 41.941 31.524 34.931 1.00 0.00 WT1 H ATOM 8208 H2 TIP3 1788 41.039 32.458 35.710 1.00 0.00 WT1 H ATOM 8209 OH2 TIP3 1789 61.584 5.237 57.440 1.00 0.00 WT1 O ATOM 8210 H1 TIP3 1789 62.521 5.221 57.245 1.00 0.00 WT1 H ATOM 8211 H2 TIP3 1789 61.462 4.542 58.087 1.00 0.00 WT1 H ATOM 8212 OH2 TIP3 1790 74.127 16.009 -5.722 1.00 0.00 WT1 O ATOM 8213 H1 TIP3 1790 73.534 16.691 -5.405 1.00 0.00 WT1 H ATOM 8214 H2 TIP3 1790 74.389 16.305 -6.593 1.00 0.00 WT1 H ATOM 8215 OH2 TIP3 1791 74.662 47.276 -5.994 1.00 0.00 WT1 O ATOM 8216 H1 TIP3 1791 74.799 47.426 -5.059 1.00 0.00 WT1 H ATOM 8217 H2 TIP3 1791 73.843 46.782 -6.040 1.00 0.00 WT1 H ATOM 8218 OH2 TIP3 1792 53.876 79.881 -0.784 1.00 0.00 WT1 O ATOM 8219 H1 TIP3 1792 54.506 80.160 -1.448 1.00 0.00 WT1 H ATOM 8220 H2 TIP3 1792 54.079 78.958 -0.634 1.00 0.00 WT1 H ATOM 8221 OH2 TIP3 1793 47.546 47.154 -3.786 1.00 0.00 WT1 O ATOM 8222 H1 TIP3 1793 47.571 46.265 -3.433 1.00 0.00 WT1 H ATOM 8223 H2 TIP3 1793 47.229 47.692 -3.061 1.00 0.00 WT1 H ATOM 8224 OH2 TIP3 1794 57.969 66.602 57.349 1.00 0.00 WT1 O ATOM 8225 H1 TIP3 1794 57.184 66.330 56.873 1.00 0.00 WT1 H ATOM 8226 H2 TIP3 1794 57.830 66.285 58.241 1.00 0.00 WT1 H ATOM 8227 OH2 TIP3 1795 33.105 23.331 58.868 1.00 0.00 WT1 O ATOM 8228 H1 TIP3 1795 33.793 23.996 58.858 1.00 0.00 WT1 H ATOM 8229 H2 TIP3 1795 32.501 23.620 59.552 1.00 0.00 WT1 H ATOM 8230 OH2 TIP3 1796 26.792 34.168 11.634 1.00 0.00 WT1 O ATOM 8231 H1 TIP3 1796 26.884 33.381 11.096 1.00 0.00 WT1 H ATOM 8232 H2 TIP3 1796 26.310 34.782 11.080 1.00 0.00 WT1 H ATOM 8233 OH2 TIP3 1797 47.081 17.477 19.632 1.00 0.00 WT1 O ATOM 8234 H1 TIP3 1797 46.681 18.342 19.730 1.00 0.00 WT1 H ATOM 8235 H2 TIP3 1797 46.872 17.217 18.735 1.00 0.00 WT1 H ATOM 8236 OH2 TIP3 1798 32.400 16.999 0.873 1.00 0.00 WT1 O ATOM 8237 H1 TIP3 1798 32.547 17.526 1.659 1.00 0.00 WT1 H ATOM 8238 H2 TIP3 1798 32.549 17.606 0.147 1.00 0.00 WT1 H ATOM 8239 OH2 TIP3 1799 43.020 26.788 34.738 1.00 0.00 WT1 O ATOM 8240 H1 TIP3 1799 43.674 27.268 34.231 1.00 0.00 WT1 H ATOM 8241 H2 TIP3 1799 42.625 27.449 35.307 1.00 0.00 WT1 H ATOM 8242 OH2 TIP3 1800 88.289 94.887 65.344 1.00 0.00 WT1 O ATOM 8243 H1 TIP3 1800 89.025 95.109 65.913 1.00 0.00 WT1 H ATOM 8244 H2 TIP3 1800 87.592 95.488 65.607 1.00 0.00 WT1 H ATOM 8245 OH2 TIP3 1801 22.134 67.251 22.232 1.00 0.00 WT1 O ATOM 8246 H1 TIP3 1801 21.591 66.823 21.569 1.00 0.00 WT1 H ATOM 8247 H2 TIP3 1801 22.461 66.533 22.774 1.00 0.00 WT1 H ATOM 8248 OH2 TIP3 1802 74.176 73.541 17.129 1.00 0.00 WT1 O ATOM 8249 H1 TIP3 1802 73.735 72.960 16.509 1.00 0.00 WT1 H ATOM 8250 H2 TIP3 1802 73.539 73.670 17.831 1.00 0.00 WT1 H ATOM 8251 OH2 TIP3 1803 86.031 71.752 22.589 1.00 0.00 WT1 O ATOM 8252 H1 TIP3 1803 85.795 70.853 22.818 1.00 0.00 WT1 H ATOM 8253 H2 TIP3 1803 85.722 71.859 21.689 1.00 0.00 WT1 H ATOM 8254 OH2 TIP3 1804 64.959 35.330 39.777 1.00 0.00 WT1 O ATOM 8255 H1 TIP3 1804 64.148 35.826 39.666 1.00 0.00 WT1 H ATOM 8256 H2 TIP3 1804 65.640 35.899 39.418 1.00 0.00 WT1 H ATOM 8257 OH2 TIP3 1805 42.301 20.649 40.393 1.00 0.00 WT1 O ATOM 8258 H1 TIP3 1805 42.603 20.127 39.650 1.00 0.00 WT1 H ATOM 8259 H2 TIP3 1805 42.386 21.556 40.100 1.00 0.00 WT1 H ATOM 8260 OH2 TIP3 1807 64.620 66.577 57.638 1.00 0.00 WT1 O ATOM 8261 H1 TIP3 1807 63.713 66.285 57.728 1.00 0.00 WT1 H ATOM 8262 H2 TIP3 1807 64.732 67.232 58.327 1.00 0.00 WT1 H ATOM 8263 OH2 TIP3 1808 84.978 12.310 54.448 1.00 0.00 WT1 O ATOM 8264 H1 TIP3 1808 85.003 12.817 53.637 1.00 0.00 WT1 H ATOM 8265 H2 TIP3 1808 85.795 11.811 54.445 1.00 0.00 WT1 H ATOM 8266 OH2 TIP3 1809 83.763 38.597 -5.992 1.00 0.00 WT1 O ATOM 8267 H1 TIP3 1809 84.704 38.659 -6.158 1.00 0.00 WT1 H ATOM 8268 H2 TIP3 1809 83.609 37.667 -5.827 1.00 0.00 WT1 H ATOM 8269 OH2 TIP3 1810 76.538 33.026 -2.693 1.00 0.00 WT1 O ATOM 8270 H1 TIP3 1810 77.082 33.791 -2.505 1.00 0.00 WT1 H ATOM 8271 H2 TIP3 1810 75.952 32.957 -1.939 1.00 0.00 WT1 H ATOM 8272 OH2 TIP3 1811 33.782 8.179 -18.162 1.00 0.00 WT1 O ATOM 8273 H1 TIP3 1811 32.841 8.198 -17.988 1.00 0.00 WT1 H ATOM 8274 H2 TIP3 1811 34.135 8.912 -17.656 1.00 0.00 WT1 H ATOM 8275 OH2 TIP3 1812 47.138 75.203 -17.204 1.00 0.00 WT1 O ATOM 8276 H1 TIP3 1812 47.731 75.462 -17.909 1.00 0.00 WT1 H ATOM 8277 H2 TIP3 1812 46.263 75.370 -17.553 1.00 0.00 WT1 H ATOM 8278 OH2 TIP3 1813 56.282 19.274 0.042 1.00 0.00 WT1 O ATOM 8279 H1 TIP3 1813 56.119 20.151 -0.306 1.00 0.00 WT1 H ATOM 8280 H2 TIP3 1813 57.082 19.366 0.560 1.00 0.00 WT1 H ATOM 8281 OH2 TIP3 1814 88.327 36.129 32.330 1.00 0.00 WT1 O ATOM 8282 H1 TIP3 1814 87.534 35.741 32.700 1.00 0.00 WT1 H ATOM 8283 H2 TIP3 1814 88.846 35.380 32.036 1.00 0.00 WT1 H ATOM 8284 OH2 TIP3 1815 31.140 57.825 38.873 1.00 0.00 WT1 O ATOM 8285 H1 TIP3 1815 31.251 58.763 38.718 1.00 0.00 WT1 H ATOM 8286 H2 TIP3 1815 30.392 57.767 39.467 1.00 0.00 WT1 H ATOM 8287 OH2 TIP3 1816 52.798 83.213 57.235 1.00 0.00 WT1 O ATOM 8288 H1 TIP3 1816 53.243 83.487 58.037 1.00 0.00 WT1 H ATOM 8289 H2 TIP3 1816 52.992 82.279 57.160 1.00 0.00 WT1 H ATOM 8290 OH2 TIP3 1817 82.841 83.470 18.873 1.00 0.00 WT1 O ATOM 8291 H1 TIP3 1817 83.637 82.997 19.118 1.00 0.00 WT1 H ATOM 8292 H2 TIP3 1817 82.858 84.262 19.411 1.00 0.00 WT1 H ATOM 8293 OH2 TIP3 1818 20.264 23.387 -14.481 1.00 0.00 WT1 O ATOM 8294 H1 TIP3 1818 20.197 23.786 -13.613 1.00 0.00 WT1 H ATOM 8295 H2 TIP3 1818 21.002 23.835 -14.895 1.00 0.00 WT1 H ATOM 8296 OH2 TIP3 1819 46.215 26.740 -0.443 1.00 0.00 WT1 O ATOM 8297 H1 TIP3 1819 46.124 26.019 0.181 1.00 0.00 WT1 H ATOM 8298 H2 TIP3 1819 46.361 27.512 0.103 1.00 0.00 WT1 H ATOM 8299 OH2 TIP3 1820 69.218 87.893 47.770 1.00 0.00 WT1 O ATOM 8300 H1 TIP3 1820 68.322 87.626 47.567 1.00 0.00 WT1 H ATOM 8301 H2 TIP3 1820 69.535 87.226 48.380 1.00 0.00 WT1 H ATOM 8302 OH2 TIP3 1821 44.032 2.641 62.205 1.00 0.00 WT1 O ATOM 8303 H1 TIP3 1821 44.102 2.613 61.251 1.00 0.00 WT1 H ATOM 8304 H2 TIP3 1821 44.468 1.842 62.501 1.00 0.00 WT1 H ATOM 8305 OH2 TIP3 1823 81.158 91.782 -2.646 1.00 0.00 WT1 O ATOM 8306 H1 TIP3 1823 80.646 92.516 -2.307 1.00 0.00 WT1 H ATOM 8307 H2 TIP3 1823 81.142 91.133 -1.942 1.00 0.00 WT1 H ATOM 8308 OH2 TIP3 1824 75.109 13.044 44.029 1.00 0.00 WT1 O ATOM 8309 H1 TIP3 1824 75.720 12.537 44.563 1.00 0.00 WT1 H ATOM 8310 H2 TIP3 1824 74.275 12.581 44.114 1.00 0.00 WT1 H ATOM 8311 OH2 TIP3 1825 37.527 16.028 25.772 1.00 0.00 WT1 O ATOM 8312 H1 TIP3 1825 37.949 15.659 24.996 1.00 0.00 WT1 H ATOM 8313 H2 TIP3 1825 37.968 16.866 25.909 1.00 0.00 WT1 H ATOM 8314 OH2 TIP3 1826 54.956 72.337 -1.235 1.00 0.00 WT1 O ATOM 8315 H1 TIP3 1826 55.882 72.420 -1.009 1.00 0.00 WT1 H ATOM 8316 H2 TIP3 1826 54.658 71.569 -0.747 1.00 0.00 WT1 H ATOM 8317 OH2 TIP3 1827 60.839 96.805 -19.021 1.00 0.00 WT1 O ATOM 8318 H1 TIP3 1827 61.747 96.503 -19.025 1.00 0.00 WT1 H ATOM 8319 H2 TIP3 1827 60.325 96.023 -19.221 1.00 0.00 WT1 H ATOM 8320 OH2 TIP3 1828 63.153 33.980 46.619 1.00 0.00 WT1 O ATOM 8321 H1 TIP3 1828 63.901 34.168 46.053 1.00 0.00 WT1 H ATOM 8322 H2 TIP3 1828 62.397 33.999 46.033 1.00 0.00 WT1 H ATOM 8323 OH2 TIP3 1829 25.615 67.361 31.316 1.00 0.00 WT1 O ATOM 8324 H1 TIP3 1829 25.798 68.189 31.760 1.00 0.00 WT1 H ATOM 8325 H2 TIP3 1829 24.954 67.581 30.659 1.00 0.00 WT1 H ATOM 8326 OH2 TIP3 1830 81.774 20.201 62.106 1.00 0.00 WT1 O ATOM 8327 H1 TIP3 1830 82.716 20.033 62.093 1.00 0.00 WT1 H ATOM 8328 H2 TIP3 1830 81.578 20.399 63.022 1.00 0.00 WT1 H ATOM 8329 OH2 TIP3 1831 66.946 64.523 62.729 1.00 0.00 WT1 O ATOM 8330 H1 TIP3 1831 67.578 64.605 63.444 1.00 0.00 WT1 H ATOM 8331 H2 TIP3 1831 67.368 63.935 62.102 1.00 0.00 WT1 H ATOM 8332 OH2 TIP3 1832 62.052 93.054 62.067 1.00 0.00 WT1 O ATOM 8333 H1 TIP3 1832 62.633 92.538 61.508 1.00 0.00 WT1 H ATOM 8334 H2 TIP3 1832 62.445 93.927 62.080 1.00 0.00 WT1 H ATOM 8335 OH2 TIP3 1833 28.993 67.817 33.867 1.00 0.00 WT1 O ATOM 8336 H1 TIP3 1833 29.944 67.868 33.764 1.00 0.00 WT1 H ATOM 8337 H2 TIP3 1833 28.667 67.616 32.990 1.00 0.00 WT1 H ATOM 8338 OH2 TIP3 1834 43.164 38.651 17.724 1.00 0.00 WT1 O ATOM 8339 H1 TIP3 1834 44.118 38.704 17.653 1.00 0.00 WT1 H ATOM 8340 H2 TIP3 1834 42.963 37.728 17.567 1.00 0.00 WT1 H ATOM 8341 OH2 TIP3 1835 66.316 18.758 61.713 1.00 0.00 WT1 O ATOM 8342 H1 TIP3 1835 65.790 18.615 62.500 1.00 0.00 WT1 H ATOM 8343 H2 TIP3 1835 66.793 19.569 61.888 1.00 0.00 WT1 H ATOM 8344 OH2 TIP3 1836 88.092 3.081 -2.040 1.00 0.00 WT1 O ATOM 8345 H1 TIP3 1836 87.913 4.021 -2.019 1.00 0.00 WT1 H ATOM 8346 H2 TIP3 1836 87.893 2.779 -1.154 1.00 0.00 WT1 H ATOM 8347 OH2 TIP3 1837 31.951 25.517 39.548 1.00 0.00 WT1 O ATOM 8348 H1 TIP3 1837 31.000 25.429 39.480 1.00 0.00 WT1 H ATOM 8349 H2 TIP3 1837 32.187 24.988 40.310 1.00 0.00 WT1 H ATOM 8350 OH2 TIP3 1838 46.498 29.310 61.923 1.00 0.00 WT1 O ATOM 8351 H1 TIP3 1838 45.648 29.159 61.509 1.00 0.00 WT1 H ATOM 8352 H2 TIP3 1838 47.037 28.572 61.639 1.00 0.00 WT1 H ATOM 8353 OH2 TIP3 1839 20.277 2.493 -7.120 1.00 0.00 WT1 O ATOM 8354 H1 TIP3 1839 21.153 2.409 -7.496 1.00 0.00 WT1 H ATOM 8355 H2 TIP3 1839 19.921 3.288 -7.517 1.00 0.00 WT1 H ATOM 8356 OH2 TIP3 1841 50.521 93.487 33.559 1.00 0.00 WT1 O ATOM 8357 H1 TIP3 1841 51.290 93.018 33.235 1.00 0.00 WT1 H ATOM 8358 H2 TIP3 1841 49.879 93.412 32.853 1.00 0.00 WT1 H ATOM 8359 OH2 TIP3 1842 90.422 2.442 19.325 1.00 0.00 WT1 O ATOM 8360 H1 TIP3 1842 89.511 2.399 19.618 1.00 0.00 WT1 H ATOM 8361 H2 TIP3 1842 90.380 2.884 18.477 1.00 0.00 WT1 H ATOM 8362 OH2 TIP3 1843 38.183 52.579 50.857 1.00 0.00 WT1 O ATOM 8363 H1 TIP3 1843 38.951 53.009 51.232 1.00 0.00 WT1 H ATOM 8364 H2 TIP3 1843 37.653 52.331 51.615 1.00 0.00 WT1 H ATOM 8365 OH2 TIP3 1844 41.539 29.781 50.517 1.00 0.00 WT1 O ATOM 8366 H1 TIP3 1844 41.868 29.753 51.415 1.00 0.00 WT1 H ATOM 8367 H2 TIP3 1844 42.185 29.288 50.009 1.00 0.00 WT1 H ATOM 8368 OH2 TIP3 1845 83.180 66.970 17.516 1.00 0.00 WT1 O ATOM 8369 H1 TIP3 1845 83.258 67.894 17.754 1.00 0.00 WT1 H ATOM 8370 H2 TIP3 1845 83.072 66.975 16.565 1.00 0.00 WT1 H ATOM 8371 OH2 TIP3 1846 81.050 27.208 47.616 1.00 0.00 WT1 O ATOM 8372 H1 TIP3 1846 80.131 27.004 47.440 1.00 0.00 WT1 H ATOM 8373 H2 TIP3 1846 81.487 27.092 46.772 1.00 0.00 WT1 H ATOM 8374 OH2 TIP3 1847 56.425 19.798 30.097 1.00 0.00 WT1 O ATOM 8375 H1 TIP3 1847 56.899 20.210 30.820 1.00 0.00 WT1 H ATOM 8376 H2 TIP3 1847 56.751 18.898 30.080 1.00 0.00 WT1 H ATOM 8377 OH2 TIP3 1848 75.039 73.484 12.818 1.00 0.00 WT1 O ATOM 8378 H1 TIP3 1848 75.476 72.771 12.352 1.00 0.00 WT1 H ATOM 8379 H2 TIP3 1848 74.584 73.053 13.542 1.00 0.00 WT1 H ATOM 8380 OH2 TIP3 1850 31.844 85.342 35.146 1.00 0.00 WT1 O ATOM 8381 H1 TIP3 1850 31.275 85.799 34.526 1.00 0.00 WT1 H ATOM 8382 H2 TIP3 1850 31.849 84.434 34.843 1.00 0.00 WT1 H ATOM 8383 OH2 TIP3 1851 37.965 1.727 51.308 1.00 0.00 WT1 O ATOM 8384 H1 TIP3 1851 38.665 2.239 50.903 1.00 0.00 WT1 H ATOM 8385 H2 TIP3 1851 37.744 2.210 52.104 1.00 0.00 WT1 H ATOM 8386 OH2 TIP3 1852 43.476 40.716 -1.376 1.00 0.00 WT1 O ATOM 8387 H1 TIP3 1852 44.294 41.187 -1.216 1.00 0.00 WT1 H ATOM 8388 H2 TIP3 1852 43.129 40.534 -0.503 1.00 0.00 WT1 H ATOM 8389 OH2 TIP3 1853 60.674 30.653 -1.016 1.00 0.00 WT1 O ATOM 8390 H1 TIP3 1853 61.623 30.774 -1.004 1.00 0.00 WT1 H ATOM 8391 H2 TIP3 1853 60.354 31.195 -0.295 1.00 0.00 WT1 H ATOM 8392 OH2 TIP3 1854 77.099 58.155 -5.888 1.00 0.00 WT1 O ATOM 8393 H1 TIP3 1854 77.277 57.593 -6.642 1.00 0.00 WT1 H ATOM 8394 H2 TIP3 1854 76.203 58.462 -6.025 1.00 0.00 WT1 H ATOM 8395 OH2 TIP3 1855 44.170 63.486 -2.854 1.00 0.00 WT1 O ATOM 8396 H1 TIP3 1855 43.735 62.774 -3.323 1.00 0.00 WT1 H ATOM 8397 H2 TIP3 1855 44.197 63.191 -1.943 1.00 0.00 WT1 H ATOM 8398 OH2 TIP3 1856 25.584 53.060 29.423 1.00 0.00 WT1 O ATOM 8399 H1 TIP3 1856 25.666 52.106 29.422 1.00 0.00 WT1 H ATOM 8400 H2 TIP3 1856 26.373 53.369 28.979 1.00 0.00 WT1 H ATOM 8401 OH2 TIP3 1858 60.111 89.957 62.816 1.00 0.00 WT1 O ATOM 8402 H1 TIP3 1858 60.193 89.724 63.741 1.00 0.00 WT1 H ATOM 8403 H2 TIP3 1858 60.919 90.430 62.616 1.00 0.00 WT1 H ATOM 8404 OH2 TIP3 1859 60.738 94.153 54.844 1.00 0.00 WT1 O ATOM 8405 H1 TIP3 1859 60.387 93.468 55.414 1.00 0.00 WT1 H ATOM 8406 H2 TIP3 1859 60.370 93.958 53.982 1.00 0.00 WT1 H ATOM 8407 OH2 TIP3 1860 40.696 53.300 4.864 1.00 0.00 WT1 O ATOM 8408 H1 TIP3 1860 40.928 53.459 5.779 1.00 0.00 WT1 H ATOM 8409 H2 TIP3 1860 40.688 54.169 4.464 1.00 0.00 WT1 H ATOM 8410 OH2 TIP3 1861 21.536 49.142 3.622 1.00 0.00 WT1 O ATOM 8411 H1 TIP3 1861 22.472 49.176 3.428 1.00 0.00 WT1 H ATOM 8412 H2 TIP3 1861 21.111 49.394 2.802 1.00 0.00 WT1 H ATOM 8413 OH2 TIP3 1862 86.349 62.469 -14.555 1.00 0.00 WT1 O ATOM 8414 H1 TIP3 1862 85.441 62.741 -14.426 1.00 0.00 WT1 H ATOM 8415 H2 TIP3 1862 86.868 63.222 -14.273 1.00 0.00 WT1 H ATOM 8416 OH2 TIP3 1863 52.999 3.177 63.874 1.00 0.00 WT1 O ATOM 8417 H1 TIP3 1863 53.549 3.937 64.061 1.00 0.00 WT1 H ATOM 8418 H2 TIP3 1863 53.613 2.447 63.802 1.00 0.00 WT1 H ATOM 8419 OH2 TIP3 1864 65.676 20.894 56.840 1.00 0.00 WT1 O ATOM 8420 H1 TIP3 1864 65.886 21.545 57.510 1.00 0.00 WT1 H ATOM 8421 H2 TIP3 1864 65.546 20.081 57.327 1.00 0.00 WT1 H ATOM 8422 OH2 TIP3 1866 37.140 34.137 23.812 1.00 0.00 WT1 O ATOM 8423 H1 TIP3 1866 36.774 34.937 23.434 1.00 0.00 WT1 H ATOM 8424 H2 TIP3 1866 37.944 34.421 24.246 1.00 0.00 WT1 H ATOM 8425 OH2 TIP3 1867 27.766 78.824 47.639 1.00 0.00 WT1 O ATOM 8426 H1 TIP3 1867 27.012 79.410 47.691 1.00 0.00 WT1 H ATOM 8427 H2 TIP3 1867 27.460 78.085 47.113 1.00 0.00 WT1 H ATOM 8428 OH2 TIP3 1868 77.824 10.073 61.860 1.00 0.00 WT1 O ATOM 8429 H1 TIP3 1868 77.657 10.862 61.346 1.00 0.00 WT1 H ATOM 8430 H2 TIP3 1868 77.334 10.207 62.672 1.00 0.00 WT1 H ATOM 8431 OH2 TIP3 1869 27.719 57.971 9.244 1.00 0.00 WT1 O ATOM 8432 H1 TIP3 1869 27.594 58.359 10.110 1.00 0.00 WT1 H ATOM 8433 H2 TIP3 1869 28.264 58.602 8.774 1.00 0.00 WT1 H ATOM 8434 OH2 TIP3 1870 57.303 96.179 -16.248 1.00 0.00 WT1 O ATOM 8435 H1 TIP3 1870 56.506 96.063 -16.765 1.00 0.00 WT1 H ATOM 8436 H2 TIP3 1870 57.569 95.290 -16.015 1.00 0.00 WT1 H ATOM 8437 OH2 TIP3 1871 51.589 89.825 30.384 1.00 0.00 WT1 O ATOM 8438 H1 TIP3 1871 50.876 89.868 29.747 1.00 0.00 WT1 H ATOM 8439 H2 TIP3 1871 51.400 89.043 30.903 1.00 0.00 WT1 H ATOM 8440 OH2 TIP3 1872 80.577 83.187 48.770 1.00 0.00 WT1 O ATOM 8441 H1 TIP3 1872 80.173 82.352 49.006 1.00 0.00 WT1 H ATOM 8442 H2 TIP3 1872 81.418 82.945 48.382 1.00 0.00 WT1 H ATOM 8443 OH2 TIP3 1873 86.925 76.947 -16.245 1.00 0.00 WT1 O ATOM 8444 H1 TIP3 1873 87.860 76.990 -16.442 1.00 0.00 WT1 H ATOM 8445 H2 TIP3 1873 86.885 76.683 -15.326 1.00 0.00 WT1 H ATOM 8446 OH2 TIP3 1874 45.465 85.452 -11.344 1.00 0.00 WT1 O ATOM 8447 H1 TIP3 1874 45.586 86.386 -11.175 1.00 0.00 WT1 H ATOM 8448 H2 TIP3 1874 44.784 85.415 -12.016 1.00 0.00 WT1 H ATOM 8449 OH2 TIP3 1875 82.340 1.093 53.095 1.00 0.00 WT1 O ATOM 8450 H1 TIP3 1875 83.295 1.041 53.081 1.00 0.00 WT1 H ATOM 8451 H2 TIP3 1875 82.101 1.365 52.208 1.00 0.00 WT1 H ATOM 8452 OH2 TIP3 1876 43.302 84.266 11.556 1.00 0.00 WT1 O ATOM 8453 H1 TIP3 1876 43.206 83.670 12.298 1.00 0.00 WT1 H ATOM 8454 H2 TIP3 1876 42.831 83.837 10.841 1.00 0.00 WT1 H ATOM 8455 OH2 TIP3 1877 41.224 28.667 26.835 1.00 0.00 WT1 O ATOM 8456 H1 TIP3 1877 40.410 29.170 26.874 1.00 0.00 WT1 H ATOM 8457 H2 TIP3 1877 41.423 28.604 25.901 1.00 0.00 WT1 H ATOM 8458 OH2 TIP3 1878 44.786 74.514 -1.611 1.00 0.00 WT1 O ATOM 8459 H1 TIP3 1878 44.224 73.782 -1.356 1.00 0.00 WT1 H ATOM 8460 H2 TIP3 1878 45.637 74.308 -1.226 1.00 0.00 WT1 H ATOM 8461 OH2 TIP3 1879 74.118 89.746 55.614 1.00 0.00 WT1 O ATOM 8462 H1 TIP3 1879 73.722 88.996 56.057 1.00 0.00 WT1 H ATOM 8463 H2 TIP3 1879 73.377 90.221 55.237 1.00 0.00 WT1 H ATOM 8464 OH2 TIP3 1880 61.426 30.178 65.119 1.00 0.00 WT1 O ATOM 8465 H1 TIP3 1880 61.355 30.498 66.019 1.00 0.00 WT1 H ATOM 8466 H2 TIP3 1880 60.599 30.430 64.709 1.00 0.00 WT1 H ATOM 8467 OH2 TIP3 1881 23.703 39.822 55.831 1.00 0.00 WT1 O ATOM 8468 H1 TIP3 1881 22.893 40.324 55.919 1.00 0.00 WT1 H ATOM 8469 H2 TIP3 1881 23.541 39.018 56.325 1.00 0.00 WT1 H ATOM 8470 OH2 TIP3 1882 66.195 18.717 -12.365 1.00 0.00 WT1 O ATOM 8471 H1 TIP3 1882 65.914 19.447 -12.917 1.00 0.00 WT1 H ATOM 8472 H2 TIP3 1882 66.828 19.102 -11.760 1.00 0.00 WT1 H ATOM 8473 OH2 TIP3 1883 76.670 29.907 6.453 1.00 0.00 WT1 O ATOM 8474 H1 TIP3 1883 77.251 30.667 6.451 1.00 0.00 WT1 H ATOM 8475 H2 TIP3 1883 76.250 29.928 7.313 1.00 0.00 WT1 H ATOM 8476 OH2 TIP3 1884 25.322 71.317 6.074 1.00 0.00 WT1 O ATOM 8477 H1 TIP3 1884 25.140 72.041 6.673 1.00 0.00 WT1 H ATOM 8478 H2 TIP3 1884 26.172 71.533 5.689 1.00 0.00 WT1 H ATOM 8479 OH2 TIP3 1885 54.783 1.153 16.588 1.00 0.00 WT1 O ATOM 8480 H1 TIP3 1885 54.663 1.972 16.108 1.00 0.00 WT1 H ATOM 8481 H2 TIP3 1885 55.112 1.423 17.446 1.00 0.00 WT1 H ATOM 8482 OH2 TIP3 1886 35.319 20.483 25.724 1.00 0.00 WT1 O ATOM 8483 H1 TIP3 1886 35.395 21.404 25.475 1.00 0.00 WT1 H ATOM 8484 H2 TIP3 1886 34.790 20.090 25.031 1.00 0.00 WT1 H ATOM 8485 OH2 TIP3 1887 25.573 5.509 54.659 1.00 0.00 WT1 O ATOM 8486 H1 TIP3 1887 25.919 5.189 53.826 1.00 0.00 WT1 H ATOM 8487 H2 TIP3 1887 25.519 4.729 55.212 1.00 0.00 WT1 H ATOM 8488 OH2 TIP3 1888 77.314 36.543 18.493 1.00 0.00 WT1 O ATOM 8489 H1 TIP3 1888 76.591 36.819 19.056 1.00 0.00 WT1 H ATOM 8490 H2 TIP3 1888 77.545 35.670 18.809 1.00 0.00 WT1 H ATOM 8491 OH2 TIP3 1889 85.123 0.550 49.484 1.00 0.00 WT1 O ATOM 8492 H1 TIP3 1889 84.309 0.074 49.318 1.00 0.00 WT1 H ATOM 8493 H2 TIP3 1889 84.928 1.102 50.241 1.00 0.00 WT1 H ATOM 8494 OH2 TIP3 1890 71.320 94.007 40.656 1.00 0.00 WT1 O ATOM 8495 H1 TIP3 1890 72.126 94.229 41.122 1.00 0.00 WT1 H ATOM 8496 H2 TIP3 1890 71.583 93.332 40.030 1.00 0.00 WT1 H ATOM 8497 OH2 TIP3 1891 55.892 34.833 -5.381 1.00 0.00 WT1 O ATOM 8498 H1 TIP3 1891 56.002 35.335 -6.189 1.00 0.00 WT1 H ATOM 8499 H2 TIP3 1891 55.778 35.496 -4.700 1.00 0.00 WT1 H ATOM 8500 OH2 TIP3 1892 40.360 25.726 62.780 1.00 0.00 WT1 O ATOM 8501 H1 TIP3 1892 40.902 26.031 63.508 1.00 0.00 WT1 H ATOM 8502 H2 TIP3 1892 40.420 24.772 62.820 1.00 0.00 WT1 H ATOM 8503 OH2 TIP3 1893 33.935 24.566 -19.201 1.00 0.00 WT1 O ATOM 8504 H1 TIP3 1893 33.208 23.949 -19.121 1.00 0.00 WT1 H ATOM 8505 H2 TIP3 1893 33.518 25.406 -19.390 1.00 0.00 WT1 H ATOM 8506 OH2 TIP3 1894 59.360 22.282 -15.587 1.00 0.00 WT1 O ATOM 8507 H1 TIP3 1894 60.286 22.079 -15.452 1.00 0.00 WT1 H ATOM 8508 H2 TIP3 1894 59.355 22.901 -16.318 1.00 0.00 WT1 H ATOM 8509 OH2 TIP3 1895 82.451 22.939 -14.409 1.00 0.00 WT1 O ATOM 8510 H1 TIP3 1895 82.333 21.998 -14.283 1.00 0.00 WT1 H ATOM 8511 H2 TIP3 1895 83.360 23.032 -14.695 1.00 0.00 WT1 H ATOM 8512 OH2 TIP3 1896 50.541 81.620 13.096 1.00 0.00 WT1 O ATOM 8513 H1 TIP3 1896 50.696 80.872 12.519 1.00 0.00 WT1 H ATOM 8514 H2 TIP3 1896 49.594 81.626 13.232 1.00 0.00 WT1 H ATOM 8515 OH2 TIP3 1897 53.439 86.168 -9.014 1.00 0.00 WT1 O ATOM 8516 H1 TIP3 1897 53.318 85.432 -8.414 1.00 0.00 WT1 H ATOM 8517 H2 TIP3 1897 52.851 85.980 -9.746 1.00 0.00 WT1 H ATOM 8518 OH2 TIP3 1898 36.541 25.736 27.163 1.00 0.00 WT1 O ATOM 8519 H1 TIP3 1898 37.198 25.135 27.516 1.00 0.00 WT1 H ATOM 8520 H2 TIP3 1898 36.992 26.197 26.457 1.00 0.00 WT1 H ATOM 8521 OH2 TIP3 1899 77.907 75.445 22.437 1.00 0.00 WT1 O ATOM 8522 H1 TIP3 1899 78.835 75.213 22.460 1.00 0.00 WT1 H ATOM 8523 H2 TIP3 1899 77.630 75.416 23.353 1.00 0.00 WT1 H ATOM 8524 OH2 TIP3 1900 43.814 0.871 11.131 1.00 0.00 WT1 O ATOM 8525 H1 TIP3 1900 44.013 -0.042 10.922 1.00 0.00 WT1 H ATOM 8526 H2 TIP3 1900 42.947 1.020 10.753 1.00 0.00 WT1 H ATOM 8527 OH2 TIP3 1901 30.530 25.671 27.739 1.00 0.00 WT1 O ATOM 8528 H1 TIP3 1901 30.166 24.891 28.158 1.00 0.00 WT1 H ATOM 8529 H2 TIP3 1901 31.034 26.102 28.431 1.00 0.00 WT1 H ATOM 8530 OH2 TIP3 1902 37.321 32.849 -12.218 1.00 0.00 WT1 O ATOM 8531 H1 TIP3 1902 36.760 33.597 -12.012 1.00 0.00 WT1 H ATOM 8532 H2 TIP3 1902 37.053 32.171 -11.598 1.00 0.00 WT1 H ATOM 8533 OH2 TIP3 1903 49.114 79.314 31.000 1.00 0.00 WT1 O ATOM 8534 H1 TIP3 1903 48.757 78.771 30.297 1.00 0.00 WT1 H ATOM 8535 H2 TIP3 1903 49.617 78.705 31.541 1.00 0.00 WT1 H ATOM 8536 OH2 TIP3 1904 65.673 88.608 39.374 1.00 0.00 WT1 O ATOM 8537 H1 TIP3 1904 64.870 88.088 39.404 1.00 0.00 WT1 H ATOM 8538 H2 TIP3 1904 65.696 88.963 38.485 1.00 0.00 WT1 H ATOM 8539 OH2 TIP3 1905 57.972 69.889 -7.701 1.00 0.00 WT1 O ATOM 8540 H1 TIP3 1905 58.650 69.357 -7.284 1.00 0.00 WT1 H ATOM 8541 H2 TIP3 1905 57.349 70.076 -6.999 1.00 0.00 WT1 H ATOM 8542 OH2 TIP3 1906 63.082 74.884 21.004 1.00 0.00 WT1 O ATOM 8543 H1 TIP3 1906 62.604 74.377 20.348 1.00 0.00 WT1 H ATOM 8544 H2 TIP3 1906 62.598 74.739 21.818 1.00 0.00 WT1 H ATOM 8545 OH2 TIP3 1907 36.250 15.874 44.015 1.00 0.00 WT1 O ATOM 8546 H1 TIP3 1907 35.811 16.720 44.104 1.00 0.00 WT1 H ATOM 8547 H2 TIP3 1907 36.739 15.942 43.195 1.00 0.00 WT1 H ATOM 8548 OH2 TIP3 1908 45.330 20.134 30.007 1.00 0.00 WT1 O ATOM 8549 H1 TIP3 1908 44.538 19.825 30.447 1.00 0.00 WT1 H ATOM 8550 H2 TIP3 1908 45.424 19.556 29.249 1.00 0.00 WT1 H ATOM 8551 OH2 TIP3 1909 75.310 94.947 58.087 1.00 0.00 WT1 O ATOM 8552 H1 TIP3 1909 75.383 95.886 58.258 1.00 0.00 WT1 H ATOM 8553 H2 TIP3 1909 75.404 94.867 57.138 1.00 0.00 WT1 H ATOM 8554 OH2 TIP3 1910 83.060 64.681 37.971 1.00 0.00 WT1 O ATOM 8555 H1 TIP3 1910 83.341 65.339 38.607 1.00 0.00 WT1 H ATOM 8556 H2 TIP3 1910 82.230 65.015 37.630 1.00 0.00 WT1 H ATOM 8557 OH2 TIP3 1911 33.112 24.156 20.007 1.00 0.00 WT1 O ATOM 8558 H1 TIP3 1911 33.534 23.668 20.714 1.00 0.00 WT1 H ATOM 8559 H2 TIP3 1911 33.487 23.790 19.205 1.00 0.00 WT1 H ATOM 8560 OH2 TIP3 1912 59.831 50.212 62.830 1.00 0.00 WT1 O ATOM 8561 H1 TIP3 1912 60.564 50.824 62.906 1.00 0.00 WT1 H ATOM 8562 H2 TIP3 1912 59.627 49.970 63.733 1.00 0.00 WT1 H ATOM 8563 OH2 TIP3 1913 65.863 32.404 54.047 1.00 0.00 WT1 O ATOM 8564 H1 TIP3 1913 66.634 32.007 54.453 1.00 0.00 WT1 H ATOM 8565 H2 TIP3 1913 65.163 32.278 54.688 1.00 0.00 WT1 H ATOM 8566 OH2 TIP3 1914 79.581 85.312 11.301 1.00 0.00 WT1 O ATOM 8567 H1 TIP3 1914 80.329 85.198 10.714 1.00 0.00 WT1 H ATOM 8568 H2 TIP3 1914 79.774 86.117 11.781 1.00 0.00 WT1 H ATOM 8569 OH2 TIP3 1915 41.413 75.100 25.319 1.00 0.00 WT1 O ATOM 8570 H1 TIP3 1915 42.235 75.091 25.810 1.00 0.00 WT1 H ATOM 8571 H2 TIP3 1915 41.630 74.693 24.480 1.00 0.00 WT1 H ATOM 8572 OH2 TIP3 1916 88.214 58.668 47.256 1.00 0.00 WT1 O ATOM 8573 H1 TIP3 1916 88.240 57.721 47.393 1.00 0.00 WT1 H ATOM 8574 H2 TIP3 1916 88.118 59.036 48.134 1.00 0.00 WT1 H ATOM 8575 OH2 TIP3 1917 24.162 79.091 -12.439 1.00 0.00 WT1 O ATOM 8576 H1 TIP3 1917 24.542 79.074 -11.561 1.00 0.00 WT1 H ATOM 8577 H2 TIP3 1917 24.839 78.714 -13.001 1.00 0.00 WT1 H ATOM 8578 OH2 TIP3 1918 27.837 20.173 50.576 1.00 0.00 WT1 O ATOM 8579 H1 TIP3 1918 27.546 19.358 50.986 1.00 0.00 WT1 H ATOM 8580 H2 TIP3 1918 27.668 20.046 49.643 1.00 0.00 WT1 H ATOM 8581 OH2 TIP3 1919 36.211 42.697 13.297 1.00 0.00 WT1 O ATOM 8582 H1 TIP3 1919 36.588 42.502 12.439 1.00 0.00 WT1 H ATOM 8583 H2 TIP3 1919 36.955 42.981 13.827 1.00 0.00 WT1 H ATOM 8584 OH2 TIP3 1920 80.157 48.753 35.439 1.00 0.00 WT1 O ATOM 8585 H1 TIP3 1920 80.298 49.657 35.721 1.00 0.00 WT1 H ATOM 8586 H2 TIP3 1920 80.174 48.244 36.250 1.00 0.00 WT1 H ATOM 8587 OH2 TIP3 1921 23.168 52.109 4.593 1.00 0.00 WT1 O ATOM 8588 H1 TIP3 1921 22.416 52.607 4.914 1.00 0.00 WT1 H ATOM 8589 H2 TIP3 1921 22.819 51.586 3.872 1.00 0.00 WT1 H ATOM 8590 OH2 TIP3 1922 88.576 67.209 25.749 1.00 0.00 WT1 O ATOM 8591 H1 TIP3 1922 87.986 66.551 25.383 1.00 0.00 WT1 H ATOM 8592 H2 TIP3 1922 89.423 67.024 25.344 1.00 0.00 WT1 H ATOM 8593 OH2 TIP3 1923 66.152 27.824 -9.761 1.00 0.00 WT1 O ATOM 8594 H1 TIP3 1923 66.390 27.340 -8.970 1.00 0.00 WT1 H ATOM 8595 H2 TIP3 1923 65.907 28.694 -9.446 1.00 0.00 WT1 H ATOM 8596 OH2 TIP3 1924 43.901 39.467 11.569 1.00 0.00 WT1 O ATOM 8597 H1 TIP3 1924 44.500 38.833 11.963 1.00 0.00 WT1 H ATOM 8598 H2 TIP3 1924 43.106 39.409 12.100 1.00 0.00 WT1 H ATOM 8599 OH2 TIP3 1925 83.513 67.167 58.111 1.00 0.00 WT1 O ATOM 8600 H1 TIP3 1925 83.925 66.339 57.862 1.00 0.00 WT1 H ATOM 8601 H2 TIP3 1925 84.242 67.782 58.194 1.00 0.00 WT1 H ATOM 8602 OH2 TIP3 1926 85.604 89.109 9.449 1.00 0.00 WT1 O ATOM 8603 H1 TIP3 1926 85.772 89.550 10.282 1.00 0.00 WT1 H ATOM 8604 H2 TIP3 1926 86.365 89.321 8.908 1.00 0.00 WT1 H ATOM 8605 OH2 TIP3 1927 47.963 40.609 54.383 1.00 0.00 WT1 O ATOM 8606 H1 TIP3 1927 48.808 40.710 53.945 1.00 0.00 WT1 H ATOM 8607 H2 TIP3 1927 47.713 41.499 54.631 1.00 0.00 WT1 H ATOM 8608 OH2 TIP3 1928 48.585 7.482 -16.844 1.00 0.00 WT1 O ATOM 8609 H1 TIP3 1928 48.937 8.316 -17.153 1.00 0.00 WT1 H ATOM 8610 H2 TIP3 1928 48.529 7.583 -15.893 1.00 0.00 WT1 H ATOM 8611 OH2 TIP3 1929 36.062 40.244 3.015 1.00 0.00 WT1 O ATOM 8612 H1 TIP3 1929 35.955 40.780 2.229 1.00 0.00 WT1 H ATOM 8613 H2 TIP3 1929 35.313 40.474 3.566 1.00 0.00 WT1 H ATOM 8614 OH2 TIP3 1930 60.283 15.466 45.229 1.00 0.00 WT1 O ATOM 8615 H1 TIP3 1930 60.856 16.232 45.229 1.00 0.00 WT1 H ATOM 8616 H2 TIP3 1930 60.686 14.863 44.604 1.00 0.00 WT1 H ATOM 8617 OH2 TIP3 1931 41.783 38.448 13.516 1.00 0.00 WT1 O ATOM 8618 H1 TIP3 1931 42.025 37.974 14.311 1.00 0.00 WT1 H ATOM 8619 H2 TIP3 1931 41.288 39.205 13.830 1.00 0.00 WT1 H ATOM 8620 OH2 TIP3 1932 38.339 63.935 -10.259 1.00 0.00 WT1 O ATOM 8621 H1 TIP3 1932 38.105 63.273 -10.910 1.00 0.00 WT1 H ATOM 8622 H2 TIP3 1932 38.220 63.497 -9.417 1.00 0.00 WT1 H ATOM 8623 OH2 TIP3 1934 21.462 27.120 22.780 1.00 0.00 WT1 O ATOM 8624 H1 TIP3 1934 20.637 26.974 22.317 1.00 0.00 WT1 H ATOM 8625 H2 TIP3 1934 21.828 27.906 22.376 1.00 0.00 WT1 H ATOM 8626 OH2 TIP3 1935 26.932 45.855 -2.729 1.00 0.00 WT1 O ATOM 8627 H1 TIP3 1935 26.275 45.169 -2.848 1.00 0.00 WT1 H ATOM 8628 H2 TIP3 1935 26.446 46.589 -2.353 1.00 0.00 WT1 H ATOM 8629 OH2 TIP3 1936 75.527 47.194 19.302 1.00 0.00 WT1 O ATOM 8630 H1 TIP3 1936 75.169 46.310 19.221 1.00 0.00 WT1 H ATOM 8631 H2 TIP3 1936 76.000 47.337 18.483 1.00 0.00 WT1 H ATOM 8632 OH2 TIP3 1937 61.776 27.287 31.761 1.00 0.00 WT1 O ATOM 8633 H1 TIP3 1937 60.948 26.960 31.408 1.00 0.00 WT1 H ATOM 8634 H2 TIP3 1937 61.878 28.154 31.369 1.00 0.00 WT1 H ATOM 8635 OH2 TIP3 1938 64.531 95.250 9.542 1.00 0.00 WT1 O ATOM 8636 H1 TIP3 1938 64.558 95.907 10.238 1.00 0.00 WT1 H ATOM 8637 H2 TIP3 1938 64.534 94.411 10.004 1.00 0.00 WT1 H ATOM 8638 OH2 TIP3 1939 28.998 48.987 -3.190 1.00 0.00 WT1 O ATOM 8639 H1 TIP3 1939 28.938 48.054 -2.983 1.00 0.00 WT1 H ATOM 8640 H2 TIP3 1939 28.120 49.222 -3.491 1.00 0.00 WT1 H ATOM 8641 OH2 TIP3 1940 22.101 87.256 -3.200 1.00 0.00 WT1 O ATOM 8642 H1 TIP3 1940 22.882 87.194 -2.650 1.00 0.00 WT1 H ATOM 8643 H2 TIP3 1940 22.283 86.679 -3.941 1.00 0.00 WT1 H ATOM 8644 OH2 TIP3 1941 47.544 93.004 24.882 1.00 0.00 WT1 O ATOM 8645 H1 TIP3 1941 47.150 92.371 24.282 1.00 0.00 WT1 H ATOM 8646 H2 TIP3 1941 48.342 93.292 24.438 1.00 0.00 WT1 H ATOM 8647 OH2 TIP3 1942 48.671 40.598 23.394 1.00 0.00 WT1 O ATOM 8648 H1 TIP3 1942 48.619 41.129 24.189 1.00 0.00 WT1 H ATOM 8649 H2 TIP3 1942 49.580 40.687 23.105 1.00 0.00 WT1 H ATOM 8650 OH2 TIP3 1943 59.008 18.366 19.290 1.00 0.00 WT1 O ATOM 8651 H1 TIP3 1943 59.028 19.199 19.762 1.00 0.00 WT1 H ATOM 8652 H2 TIP3 1943 59.342 18.576 18.418 1.00 0.00 WT1 H ATOM 8653 OH2 TIP3 1944 86.680 81.878 43.875 1.00 0.00 WT1 O ATOM 8654 H1 TIP3 1944 85.733 82.013 43.844 1.00 0.00 WT1 H ATOM 8655 H2 TIP3 1944 87.032 82.505 43.242 1.00 0.00 WT1 H ATOM 8656 OH2 TIP3 1945 31.274 64.376 54.503 1.00 0.00 WT1 O ATOM 8657 H1 TIP3 1945 30.836 64.132 53.688 1.00 0.00 WT1 H ATOM 8658 H2 TIP3 1945 32.187 64.117 54.371 1.00 0.00 WT1 H ATOM 8659 OH2 TIP3 1946 85.772 48.985 28.205 1.00 0.00 WT1 O ATOM 8660 H1 TIP3 1946 85.860 49.898 28.475 1.00 0.00 WT1 H ATOM 8661 H2 TIP3 1946 84.927 48.709 28.560 1.00 0.00 WT1 H ATOM 8662 OH2 TIP3 1947 33.969 71.787 14.706 1.00 0.00 WT1 O ATOM 8663 H1 TIP3 1947 34.786 72.284 14.742 1.00 0.00 WT1 H ATOM 8664 H2 TIP3 1947 33.988 71.236 15.489 1.00 0.00 WT1 H ATOM 8665 OH2 TIP3 1948 59.252 22.881 42.093 1.00 0.00 WT1 O ATOM 8666 H1 TIP3 1948 60.030 22.616 42.584 1.00 0.00 WT1 H ATOM 8667 H2 TIP3 1948 59.593 23.404 41.368 1.00 0.00 WT1 H ATOM 8668 OH2 TIP3 1949 49.785 75.746 50.834 1.00 0.00 WT1 O ATOM 8669 H1 TIP3 1949 50.381 75.621 51.572 1.00 0.00 WT1 H ATOM 8670 H2 TIP3 1949 50.289 75.470 50.069 1.00 0.00 WT1 H ATOM 8671 OH2 TIP3 1950 39.885 29.275 2.582 1.00 0.00 WT1 O ATOM 8672 H1 TIP3 1950 40.416 28.839 3.250 1.00 0.00 WT1 H ATOM 8673 H2 TIP3 1950 40.519 29.748 2.043 1.00 0.00 WT1 H ATOM 8674 OH2 TIP3 1951 56.548 17.436 45.683 1.00 0.00 WT1 O ATOM 8675 H1 TIP3 1951 57.195 17.404 44.978 1.00 0.00 WT1 H ATOM 8676 H2 TIP3 1951 57.065 17.559 46.479 1.00 0.00 WT1 H ATOM 8677 OH2 TIP3 1952 64.171 28.819 3.987 1.00 0.00 WT1 O ATOM 8678 H1 TIP3 1952 63.619 29.344 3.408 1.00 0.00 WT1 H ATOM 8679 H2 TIP3 1952 63.984 29.152 4.865 1.00 0.00 WT1 H ATOM 8680 OH2 TIP3 1953 31.292 32.718 40.038 1.00 0.00 WT1 O ATOM 8681 H1 TIP3 1953 31.472 33.311 39.308 1.00 0.00 WT1 H ATOM 8682 H2 TIP3 1953 30.771 33.241 40.647 1.00 0.00 WT1 H ATOM 8683 OH2 TIP3 1954 78.925 40.210 64.256 1.00 0.00 WT1 O ATOM 8684 H1 TIP3 1954 78.661 39.556 63.610 1.00 0.00 WT1 H ATOM 8685 H2 TIP3 1954 78.221 40.205 64.905 1.00 0.00 WT1 H ATOM 8686 OH2 TIP3 1955 87.654 42.115 10.438 1.00 0.00 WT1 O ATOM 8687 H1 TIP3 1955 87.760 41.691 9.586 1.00 0.00 WT1 H ATOM 8688 H2 TIP3 1955 87.691 43.052 10.246 1.00 0.00 WT1 H ATOM 8689 OH2 TIP3 1956 68.045 8.121 50.746 1.00 0.00 WT1 O ATOM 8690 H1 TIP3 1956 68.198 8.732 50.026 1.00 0.00 WT1 H ATOM 8691 H2 TIP3 1956 67.146 7.816 50.616 1.00 0.00 WT1 H ATOM 8692 OH2 TIP3 1957 40.451 38.369 23.436 1.00 0.00 WT1 O ATOM 8693 H1 TIP3 1957 40.958 38.961 23.992 1.00 0.00 WT1 H ATOM 8694 H2 TIP3 1957 40.799 37.499 23.631 1.00 0.00 WT1 H ATOM 8695 OH2 TIP3 1958 39.629 43.602 39.185 1.00 0.00 WT1 O ATOM 8696 H1 TIP3 1958 40.139 44.086 38.536 1.00 0.00 WT1 H ATOM 8697 H2 TIP3 1958 38.777 44.039 39.197 1.00 0.00 WT1 H ATOM 8698 OH2 TIP3 1959 65.058 81.780 24.151 1.00 0.00 WT1 O ATOM 8699 H1 TIP3 1959 66.000 81.613 24.183 1.00 0.00 WT1 H ATOM 8700 H2 TIP3 1959 64.830 81.699 23.225 1.00 0.00 WT1 H ATOM 8701 OH2 TIP3 1960 58.010 20.816 -8.994 1.00 0.00 WT1 O ATOM 8702 H1 TIP3 1960 57.889 21.328 -8.194 1.00 0.00 WT1 H ATOM 8703 H2 TIP3 1960 57.329 21.133 -9.587 1.00 0.00 WT1 H ATOM 8704 OH2 TIP3 1961 62.405 81.722 -6.533 1.00 0.00 WT1 O ATOM 8705 H1 TIP3 1961 62.965 82.447 -6.810 1.00 0.00 WT1 H ATOM 8706 H2 TIP3 1961 62.154 81.942 -5.636 1.00 0.00 WT1 H ATOM 8707 OH2 TIP3 1962 36.744 67.929 -1.059 1.00 0.00 WT1 O ATOM 8708 H1 TIP3 1962 36.410 67.661 -0.203 1.00 0.00 WT1 H ATOM 8709 H2 TIP3 1962 37.512 67.377 -1.201 1.00 0.00 WT1 H ATOM 8710 OH2 TIP3 1964 54.863 45.408 20.840 1.00 0.00 WT1 O ATOM 8711 H1 TIP3 1964 54.431 46.129 20.382 1.00 0.00 WT1 H ATOM 8712 H2 TIP3 1964 55.047 44.765 20.155 1.00 0.00 WT1 H ATOM 8713 OH2 TIP3 1965 23.971 72.732 -7.253 1.00 0.00 WT1 O ATOM 8714 H1 TIP3 1965 24.128 72.160 -8.005 1.00 0.00 WT1 H ATOM 8715 H2 TIP3 1965 23.025 72.689 -7.113 1.00 0.00 WT1 H ATOM 8716 OH2 TIP3 1966 57.023 16.245 7.763 1.00 0.00 WT1 O ATOM 8717 H1 TIP3 1966 57.360 16.706 6.995 1.00 0.00 WT1 H ATOM 8718 H2 TIP3 1966 56.917 15.339 7.471 1.00 0.00 WT1 H ATOM 8719 OH2 TIP3 1967 37.425 76.952 35.880 1.00 0.00 WT1 O ATOM 8720 H1 TIP3 1967 37.833 77.773 35.605 1.00 0.00 WT1 H ATOM 8721 H2 TIP3 1967 37.658 76.326 35.195 1.00 0.00 WT1 H ATOM 8722 OH2 TIP3 1968 76.319 9.864 -17.022 1.00 0.00 WT1 O ATOM 8723 H1 TIP3 1968 77.081 9.322 -16.816 1.00 0.00 WT1 H ATOM 8724 H2 TIP3 1968 75.939 10.078 -16.170 1.00 0.00 WT1 H ATOM 8725 OH2 TIP3 1969 43.158 11.608 58.831 1.00 0.00 WT1 O ATOM 8726 H1 TIP3 1969 43.085 10.863 58.235 1.00 0.00 WT1 H ATOM 8727 H2 TIP3 1969 43.385 11.218 59.675 1.00 0.00 WT1 H ATOM 8728 OH2 TIP3 1971 87.156 72.548 58.669 1.00 0.00 WT1 O ATOM 8729 H1 TIP3 1971 87.754 72.204 58.006 1.00 0.00 WT1 H ATOM 8730 H2 TIP3 1971 87.506 73.414 58.881 1.00 0.00 WT1 H ATOM 8731 OH2 TIP3 1973 38.579 9.507 -9.343 1.00 0.00 WT1 O ATOM 8732 H1 TIP3 1973 38.853 9.848 -10.194 1.00 0.00 WT1 H ATOM 8733 H2 TIP3 1973 39.226 8.832 -9.136 1.00 0.00 WT1 H ATOM 8734 OH2 TIP3 1974 28.909 87.160 21.339 1.00 0.00 WT1 O ATOM 8735 H1 TIP3 1974 28.577 87.303 22.226 1.00 0.00 WT1 H ATOM 8736 H2 TIP3 1974 29.854 87.291 21.413 1.00 0.00 WT1 H ATOM 8737 OH2 TIP3 1975 52.543 55.865 52.482 1.00 0.00 WT1 O ATOM 8738 H1 TIP3 1975 51.604 56.005 52.364 1.00 0.00 WT1 H ATOM 8739 H2 TIP3 1975 52.852 55.571 51.625 1.00 0.00 WT1 H ATOM 8740 OH2 TIP3 1976 84.031 42.655 54.258 1.00 0.00 WT1 O ATOM 8741 H1 TIP3 1976 83.462 42.798 53.501 1.00 0.00 WT1 H ATOM 8742 H2 TIP3 1976 83.713 43.272 54.917 1.00 0.00 WT1 H ATOM 8743 OH2 TIP3 1977 37.636 82.557 43.152 1.00 0.00 WT1 O ATOM 8744 H1 TIP3 1977 38.498 82.146 43.222 1.00 0.00 WT1 H ATOM 8745 H2 TIP3 1977 37.783 83.329 42.605 1.00 0.00 WT1 H ATOM 8746 OH2 TIP3 1978 42.261 21.200 59.273 1.00 0.00 WT1 O ATOM 8747 H1 TIP3 1978 43.073 21.111 58.775 1.00 0.00 WT1 H ATOM 8748 H2 TIP3 1978 41.872 20.325 59.255 1.00 0.00 WT1 H ATOM 8749 OH2 TIP3 1979 90.165 82.118 20.437 1.00 0.00 WT1 O ATOM 8750 H1 TIP3 1979 90.082 82.042 19.486 1.00 0.00 WT1 H ATOM 8751 H2 TIP3 1979 89.270 82.259 20.745 1.00 0.00 WT1 H ATOM 8752 OH2 TIP3 1980 37.523 49.141 35.673 1.00 0.00 WT1 O ATOM 8753 H1 TIP3 1980 37.550 50.024 36.043 1.00 0.00 WT1 H ATOM 8754 H2 TIP3 1980 38.379 49.028 35.261 1.00 0.00 WT1 H ATOM 8755 OH2 TIP3 1981 25.745 42.856 41.917 1.00 0.00 WT1 O ATOM 8756 H1 TIP3 1981 25.773 42.383 41.084 1.00 0.00 WT1 H ATOM 8757 H2 TIP3 1981 25.088 42.391 42.434 1.00 0.00 WT1 H ATOM 8758 OH2 TIP3 1982 49.892 92.765 47.729 1.00 0.00 WT1 O ATOM 8759 H1 TIP3 1982 50.441 93.540 47.614 1.00 0.00 WT1 H ATOM 8760 H2 TIP3 1982 50.502 92.029 47.676 1.00 0.00 WT1 H ATOM 8761 OH2 TIP3 1983 72.657 36.169 48.712 1.00 0.00 WT1 O ATOM 8762 H1 TIP3 1983 72.084 36.446 47.997 1.00 0.00 WT1 H ATOM 8763 H2 TIP3 1983 72.781 35.231 48.570 1.00 0.00 WT1 H ATOM 8764 OH2 TIP3 1984 28.656 54.260 64.326 1.00 0.00 WT1 O ATOM 8765 H1 TIP3 1984 28.406 55.048 63.842 1.00 0.00 WT1 H ATOM 8766 H2 TIP3 1984 28.201 54.339 65.165 1.00 0.00 WT1 H ATOM 8767 OH2 TIP3 1986 34.170 45.678 10.374 1.00 0.00 WT1 O ATOM 8768 H1 TIP3 1986 34.289 46.586 10.654 1.00 0.00 WT1 H ATOM 8769 H2 TIP3 1986 33.397 45.379 10.853 1.00 0.00 WT1 H ATOM 8770 OH2 TIP3 1987 53.763 77.744 17.382 1.00 0.00 WT1 O ATOM 8771 H1 TIP3 1987 54.015 76.832 17.242 1.00 0.00 WT1 H ATOM 8772 H2 TIP3 1987 53.617 78.090 16.502 1.00 0.00 WT1 H ATOM 8773 OH2 TIP3 1989 87.939 44.275 16.183 1.00 0.00 WT1 O ATOM 8774 H1 TIP3 1989 88.731 44.667 16.551 1.00 0.00 WT1 H ATOM 8775 H2 TIP3 1989 88.260 43.569 15.622 1.00 0.00 WT1 H ATOM 8776 OH2 TIP3 1990 69.713 49.030 33.188 1.00 0.00 WT1 O ATOM 8777 H1 TIP3 1990 69.314 48.161 33.223 1.00 0.00 WT1 H ATOM 8778 H2 TIP3 1990 68.991 49.633 33.367 1.00 0.00 WT1 H ATOM 8779 OH2 TIP3 1991 36.812 29.401 60.943 1.00 0.00 WT1 O ATOM 8780 H1 TIP3 1991 37.077 28.482 60.990 1.00 0.00 WT1 H ATOM 8781 H2 TIP3 1991 35.971 29.433 61.400 1.00 0.00 WT1 H ATOM 8782 OH2 TIP3 1992 41.336 88.364 4.340 1.00 0.00 WT1 O ATOM 8783 H1 TIP3 1992 41.055 89.147 3.866 1.00 0.00 WT1 H ATOM 8784 H2 TIP3 1992 40.773 88.337 5.114 1.00 0.00 WT1 H ATOM 8785 OH2 TIP3 1993 35.663 18.168 16.808 1.00 0.00 WT1 O ATOM 8786 H1 TIP3 1993 36.522 17.971 16.435 1.00 0.00 WT1 H ATOM 8787 H2 TIP3 1993 35.655 19.121 16.902 1.00 0.00 WT1 H ATOM 8788 OH2 TIP3 1994 78.536 38.451 34.689 1.00 0.00 WT1 O ATOM 8789 H1 TIP3 1994 77.852 38.771 34.102 1.00 0.00 WT1 H ATOM 8790 H2 TIP3 1994 78.061 38.092 35.439 1.00 0.00 WT1 H ATOM 8791 OH2 TIP3 1995 74.712 78.000 35.319 1.00 0.00 WT1 O ATOM 8792 H1 TIP3 1995 74.902 78.682 35.964 1.00 0.00 WT1 H ATOM 8793 H2 TIP3 1995 73.844 78.222 34.984 1.00 0.00 WT1 H ATOM 8794 OH2 TIP3 1996 63.226 33.308 27.830 1.00 0.00 WT1 O ATOM 8795 H1 TIP3 1996 63.670 33.153 26.996 1.00 0.00 WT1 H ATOM 8796 H2 TIP3 1996 62.308 33.442 27.591 1.00 0.00 WT1 H ATOM 8797 OH2 TIP3 1997 59.579 40.706 -12.705 1.00 0.00 WT1 O ATOM 8798 H1 TIP3 1997 59.887 40.374 -11.862 1.00 0.00 WT1 H ATOM 8799 H2 TIP3 1997 59.212 41.567 -12.504 1.00 0.00 WT1 H ATOM 8800 OH2 TIP3 1998 61.865 62.379 55.499 1.00 0.00 WT1 O ATOM 8801 H1 TIP3 1998 61.578 61.481 55.664 1.00 0.00 WT1 H ATOM 8802 H2 TIP3 1998 62.819 62.323 55.458 1.00 0.00 WT1 H ATOM 8803 OH2 TIP3 1999 83.324 45.141 19.143 1.00 0.00 WT1 O ATOM 8804 H1 TIP3 1999 82.983 45.717 19.827 1.00 0.00 WT1 H ATOM 8805 H2 TIP3 1999 84.212 44.927 19.431 1.00 0.00 WT1 H ATOM 8806 OH2 TIP3 2000 25.472 43.425 9.214 1.00 0.00 WT1 O ATOM 8807 H1 TIP3 2000 25.771 43.861 8.416 1.00 0.00 WT1 H ATOM 8808 H2 TIP3 2000 25.979 43.834 9.915 1.00 0.00 WT1 H ATOM 8809 OH2 TIP3 2001 38.220 59.612 -1.321 1.00 0.00 WT1 O ATOM 8810 H1 TIP3 2001 38.064 59.282 -0.436 1.00 0.00 WT1 H ATOM 8811 H2 TIP3 2001 38.312 60.558 -1.212 1.00 0.00 WT1 H ATOM 8812 OH2 TIP3 2002 36.789 36.863 -15.265 1.00 0.00 WT1 O ATOM 8813 H1 TIP3 2002 36.624 36.530 -16.147 1.00 0.00 WT1 H ATOM 8814 H2 TIP3 2002 37.723 36.710 -15.122 1.00 0.00 WT1 H ATOM 8815 OH2 TIP3 2003 29.906 65.027 9.986 1.00 0.00 WT1 O ATOM 8816 H1 TIP3 2003 30.740 65.095 10.451 1.00 0.00 WT1 H ATOM 8817 H2 TIP3 2003 29.351 64.505 10.565 1.00 0.00 WT1 H ATOM 8818 OH2 TIP3 2004 26.670 31.378 17.353 1.00 0.00 WT1 O ATOM 8819 H1 TIP3 2004 27.072 32.202 17.078 1.00 0.00 WT1 H ATOM 8820 H2 TIP3 2004 26.538 31.478 18.296 1.00 0.00 WT1 H ATOM 8821 OH2 TIP3 2005 69.274 75.943 -6.119 1.00 0.00 WT1 O ATOM 8822 H1 TIP3 2005 68.483 76.058 -5.594 1.00 0.00 WT1 H ATOM 8823 H2 TIP3 2005 68.957 75.629 -6.966 1.00 0.00 WT1 H ATOM 8824 OH2 TIP3 2006 30.776 44.690 20.298 1.00 0.00 WT1 O ATOM 8825 H1 TIP3 2006 31.057 44.564 19.392 1.00 0.00 WT1 H ATOM 8826 H2 TIP3 2006 31.403 45.318 20.659 1.00 0.00 WT1 H ATOM 8827 OH2 TIP3 2008 62.091 1.819 61.281 1.00 0.00 WT1 O ATOM 8828 H1 TIP3 2008 62.464 1.083 60.795 1.00 0.00 WT1 H ATOM 8829 H2 TIP3 2008 62.808 2.449 61.349 1.00 0.00 WT1 H ATOM 8830 OH2 TIP3 2010 47.350 42.916 55.871 1.00 0.00 WT1 O ATOM 8831 H1 TIP3 2010 46.569 42.985 56.420 1.00 0.00 WT1 H ATOM 8832 H2 TIP3 2010 48.079 42.900 56.491 1.00 0.00 WT1 H ATOM 8833 OH2 TIP3 2013 43.865 15.476 43.735 1.00 0.00 WT1 O ATOM 8834 H1 TIP3 2013 43.065 15.309 43.235 1.00 0.00 WT1 H ATOM 8835 H2 TIP3 2013 44.302 14.625 43.779 1.00 0.00 WT1 H ATOM 8836 OH2 TIP3 2014 87.238 62.963 2.804 1.00 0.00 WT1 O ATOM 8837 H1 TIP3 2014 86.562 62.287 2.857 1.00 0.00 WT1 H ATOM 8838 H2 TIP3 2014 88.058 62.476 2.721 1.00 0.00 WT1 H ATOM 8839 OH2 TIP3 2015 86.690 28.371 12.756 1.00 0.00 WT1 O ATOM 8840 H1 TIP3 2015 86.318 27.731 13.362 1.00 0.00 WT1 H ATOM 8841 H2 TIP3 2015 86.424 28.064 11.889 1.00 0.00 WT1 H ATOM 8842 OH2 TIP3 2016 60.686 53.197 33.851 1.00 0.00 WT1 O ATOM 8843 H1 TIP3 2016 60.373 53.683 33.088 1.00 0.00 WT1 H ATOM 8844 H2 TIP3 2016 60.340 53.679 34.602 1.00 0.00 WT1 H ATOM 8845 OH2 TIP3 2017 63.565 86.129 14.870 1.00 0.00 WT1 O ATOM 8846 H1 TIP3 2017 63.777 85.430 14.251 1.00 0.00 WT1 H ATOM 8847 H2 TIP3 2017 62.628 86.026 15.037 1.00 0.00 WT1 H ATOM 8848 OH2 TIP3 2018 29.789 67.382 -9.887 1.00 0.00 WT1 O ATOM 8849 H1 TIP3 2018 30.227 66.533 -9.824 1.00 0.00 WT1 H ATOM 8850 H2 TIP3 2018 28.856 67.171 -9.895 1.00 0.00 WT1 H ATOM 8851 OH2 TIP3 2019 26.789 85.975 -0.270 1.00 0.00 WT1 O ATOM 8852 H1 TIP3 2019 27.690 85.748 -0.038 1.00 0.00 WT1 H ATOM 8853 H2 TIP3 2019 26.625 86.802 0.183 1.00 0.00 WT1 H ATOM 8854 OH2 TIP3 2020 66.483 38.718 44.799 1.00 0.00 WT1 O ATOM 8855 H1 TIP3 2020 65.983 39.534 44.838 1.00 0.00 WT1 H ATOM 8856 H2 TIP3 2020 67.392 38.987 44.934 1.00 0.00 WT1 H ATOM 8857 OH2 TIP3 2021 26.517 51.264 1.356 1.00 0.00 WT1 O ATOM 8858 H1 TIP3 2021 27.164 51.955 1.217 1.00 0.00 WT1 H ATOM 8859 H2 TIP3 2021 26.180 51.424 2.238 1.00 0.00 WT1 H ATOM 8860 OH2 TIP3 2022 82.736 26.150 8.793 1.00 0.00 WT1 O ATOM 8861 H1 TIP3 2022 82.821 26.666 7.991 1.00 0.00 WT1 H ATOM 8862 H2 TIP3 2022 82.895 26.777 9.499 1.00 0.00 WT1 H ATOM 8863 OH2 TIP3 2023 49.073 71.788 -0.309 1.00 0.00 WT1 O ATOM 8864 H1 TIP3 2023 49.864 72.222 0.009 1.00 0.00 WT1 H ATOM 8865 H2 TIP3 2023 49.198 70.866 -0.087 1.00 0.00 WT1 H ATOM 8866 OH2 TIP3 2024 43.902 55.319 12.973 1.00 0.00 WT1 O ATOM 8867 H1 TIP3 2024 43.658 56.230 12.810 1.00 0.00 WT1 H ATOM 8868 H2 TIP3 2024 44.776 55.370 13.361 1.00 0.00 WT1 H ATOM 8869 OH2 TIP3 2025 83.980 63.925 26.847 1.00 0.00 WT1 O ATOM 8870 H1 TIP3 2025 84.352 63.663 27.689 1.00 0.00 WT1 H ATOM 8871 H2 TIP3 2025 84.721 64.276 26.355 1.00 0.00 WT1 H ATOM 8872 OH2 TIP3 2030 65.312 59.608 56.816 1.00 0.00 WT1 O ATOM 8873 H1 TIP3 2030 64.664 60.156 57.260 1.00 0.00 WT1 H ATOM 8874 H2 TIP3 2030 64.818 59.161 56.129 1.00 0.00 WT1 H ATOM 8875 OH2 TIP3 2032 39.819 91.128 -13.784 1.00 0.00 WT1 O ATOM 8876 H1 TIP3 2032 39.581 90.927 -14.689 1.00 0.00 WT1 H ATOM 8877 H2 TIP3 2032 40.301 91.953 -13.839 1.00 0.00 WT1 H ATOM 8878 OH2 TIP3 2033 53.965 58.099 62.429 1.00 0.00 WT1 O ATOM 8879 H1 TIP3 2033 53.450 57.708 63.136 1.00 0.00 WT1 H ATOM 8880 H2 TIP3 2033 53.348 58.185 61.703 1.00 0.00 WT1 H ATOM 8881 OH2 TIP3 2035 53.598 28.958 5.466 1.00 0.00 WT1 O ATOM 8882 H1 TIP3 2035 52.876 29.426 5.884 1.00 0.00 WT1 H ATOM 8883 H2 TIP3 2035 54.344 29.098 6.049 1.00 0.00 WT1 H ATOM 8884 OH2 TIP3 2036 62.867 67.168 48.539 1.00 0.00 WT1 O ATOM 8885 H1 TIP3 2036 62.687 67.006 47.613 1.00 0.00 WT1 H ATOM 8886 H2 TIP3 2036 62.933 66.296 48.927 1.00 0.00 WT1 H ATOM 8887 OH2 TIP3 2037 34.417 17.751 9.049 1.00 0.00 WT1 O ATOM 8888 H1 TIP3 2037 33.734 17.080 9.046 1.00 0.00 WT1 H ATOM 8889 H2 TIP3 2037 34.690 17.820 8.134 1.00 0.00 WT1 H ATOM 8890 OH2 TIP3 2038 40.996 55.639 -10.438 1.00 0.00 WT1 O ATOM 8891 H1 TIP3 2038 41.281 56.340 -9.853 1.00 0.00 WT1 H ATOM 8892 H2 TIP3 2038 41.054 56.019 -11.315 1.00 0.00 WT1 H ATOM 8893 OH2 TIP3 2040 27.367 38.225 56.853 1.00 0.00 WT1 O ATOM 8894 H1 TIP3 2040 27.687 39.056 56.501 1.00 0.00 WT1 H ATOM 8895 H2 TIP3 2040 26.798 38.477 57.581 1.00 0.00 WT1 H ATOM 8896 OH2 TIP3 2041 36.464 63.620 38.840 1.00 0.00 WT1 O ATOM 8897 H1 TIP3 2041 35.606 64.043 38.852 1.00 0.00 WT1 H ATOM 8898 H2 TIP3 2041 37.080 64.321 39.057 1.00 0.00 WT1 H ATOM 8899 OH2 TIP3 2042 34.473 84.659 26.856 1.00 0.00 WT1 O ATOM 8900 H1 TIP3 2042 34.608 83.740 26.626 1.00 0.00 WT1 H ATOM 8901 H2 TIP3 2042 35.179 84.859 27.470 1.00 0.00 WT1 H ATOM 8902 OH2 TIP3 2043 56.883 18.163 -18.091 1.00 0.00 WT1 O ATOM 8903 H1 TIP3 2043 56.309 18.878 -17.815 1.00 0.00 WT1 H ATOM 8904 H2 TIP3 2043 57.230 17.806 -17.273 1.00 0.00 WT1 H ATOM 8905 OH2 TIP3 2044 60.746 75.734 41.826 1.00 0.00 WT1 O ATOM 8906 H1 TIP3 2044 60.631 75.015 41.204 1.00 0.00 WT1 H ATOM 8907 H2 TIP3 2044 61.693 75.791 41.955 1.00 0.00 WT1 H ATOM 8908 OH2 TIP3 2045 72.915 78.723 -18.129 1.00 0.00 WT1 O ATOM 8909 H1 TIP3 2045 73.498 78.902 -17.392 1.00 0.00 WT1 H ATOM 8910 H2 TIP3 2045 72.937 79.524 -18.653 1.00 0.00 WT1 H ATOM 8911 OH2 TIP3 2046 57.488 65.427 -12.061 1.00 0.00 WT1 O ATOM 8912 H1 TIP3 2046 57.142 65.136 -12.904 1.00 0.00 WT1 H ATOM 8913 H2 TIP3 2046 57.716 66.346 -12.199 1.00 0.00 WT1 H ATOM 8914 OH2 TIP3 2047 60.765 42.671 61.893 1.00 0.00 WT1 O ATOM 8915 H1 TIP3 2047 61.413 42.999 61.270 1.00 0.00 WT1 H ATOM 8916 H2 TIP3 2047 61.174 41.897 62.280 1.00 0.00 WT1 H ATOM 8917 OH2 TIP3 2049 56.241 14.742 34.361 1.00 0.00 WT1 O ATOM 8918 H1 TIP3 2049 57.051 14.881 34.851 1.00 0.00 WT1 H ATOM 8919 H2 TIP3 2049 56.404 15.143 33.508 1.00 0.00 WT1 H ATOM 8920 OH2 TIP3 2051 63.309 45.038 35.637 1.00 0.00 WT1 O ATOM 8921 H1 TIP3 2051 62.983 45.229 34.757 1.00 0.00 WT1 H ATOM 8922 H2 TIP3 2051 63.549 45.893 35.994 1.00 0.00 WT1 H ATOM 8923 OH2 TIP3 2052 71.133 47.868 40.358 1.00 0.00 WT1 O ATOM 8924 H1 TIP3 2052 70.491 48.569 40.245 1.00 0.00 WT1 H ATOM 8925 H2 TIP3 2052 70.952 47.259 39.642 1.00 0.00 WT1 H ATOM 8926 OH2 TIP3 2053 55.728 0.568 57.013 1.00 0.00 WT1 O ATOM 8927 H1 TIP3 2053 55.750 1.494 57.254 1.00 0.00 WT1 H ATOM 8928 H2 TIP3 2053 55.050 0.511 56.340 1.00 0.00 WT1 H ATOM 8929 OH2 TIP3 2055 83.863 65.693 60.990 1.00 0.00 WT1 O ATOM 8930 H1 TIP3 2055 84.254 65.146 60.309 1.00 0.00 WT1 H ATOM 8931 H2 TIP3 2055 82.957 65.392 61.050 1.00 0.00 WT1 H ATOM 8932 OH2 TIP3 2056 33.204 87.510 -11.682 1.00 0.00 WT1 O ATOM 8933 H1 TIP3 2056 33.942 87.435 -11.077 1.00 0.00 WT1 H ATOM 8934 H2 TIP3 2056 33.354 88.336 -12.141 1.00 0.00 WT1 H ATOM 8935 OH2 TIP3 2057 84.598 21.440 8.586 1.00 0.00 WT1 O ATOM 8936 H1 TIP3 2057 84.608 22.341 8.265 1.00 0.00 WT1 H ATOM 8937 H2 TIP3 2057 84.064 21.474 9.380 1.00 0.00 WT1 H ATOM 8938 OH2 TIP3 2058 70.971 19.420 46.247 1.00 0.00 WT1 O ATOM 8939 H1 TIP3 2058 71.824 19.021 46.078 1.00 0.00 WT1 H ATOM 8940 H2 TIP3 2058 70.390 19.031 45.594 1.00 0.00 WT1 H ATOM 8941 OH2 TIP3 2059 27.124 58.419 -15.377 1.00 0.00 WT1 O ATOM 8942 H1 TIP3 2059 27.180 59.185 -14.806 1.00 0.00 WT1 H ATOM 8943 H2 TIP3 2059 27.949 57.954 -15.237 1.00 0.00 WT1 H ATOM 8944 OH2 TIP3 2060 80.428 60.471 -10.791 1.00 0.00 WT1 O ATOM 8945 H1 TIP3 2060 80.428 61.046 -10.025 1.00 0.00 WT1 H ATOM 8946 H2 TIP3 2060 79.530 60.144 -10.844 1.00 0.00 WT1 H ATOM 8947 OH2 TIP3 2061 27.551 50.167 4.456 1.00 0.00 WT1 O ATOM 8948 H1 TIP3 2061 26.914 50.880 4.430 1.00 0.00 WT1 H ATOM 8949 H2 TIP3 2061 28.206 50.452 5.094 1.00 0.00 WT1 H ATOM 8950 OH2 TIP3 2062 23.584 35.981 15.631 1.00 0.00 WT1 O ATOM 8951 H1 TIP3 2062 23.222 36.074 16.513 1.00 0.00 WT1 H ATOM 8952 H2 TIP3 2062 22.844 36.150 15.049 1.00 0.00 WT1 H ATOM 8953 OH2 TIP3 2063 87.495 69.099 66.919 1.00 0.00 WT1 O ATOM 8954 H1 TIP3 2063 87.347 69.949 67.332 1.00 0.00 WT1 H ATOM 8955 H2 TIP3 2063 86.682 68.917 66.448 1.00 0.00 WT1 H ATOM 8956 OH2 TIP3 2064 62.109 91.648 64.411 1.00 0.00 WT1 O ATOM 8957 H1 TIP3 2064 61.941 92.297 63.728 1.00 0.00 WT1 H ATOM 8958 H2 TIP3 2064 62.872 91.162 64.098 1.00 0.00 WT1 H ATOM 8959 OH2 TIP3 2066 42.193 47.999 11.613 1.00 0.00 WT1 O ATOM 8960 H1 TIP3 2066 42.090 47.692 12.514 1.00 0.00 WT1 H ATOM 8961 H2 TIP3 2066 42.534 48.889 11.701 1.00 0.00 WT1 H ATOM 8962 OH2 TIP3 2067 71.389 85.635 8.453 1.00 0.00 WT1 O ATOM 8963 H1 TIP3 2067 71.440 86.297 7.763 1.00 0.00 WT1 H ATOM 8964 H2 TIP3 2067 72.198 85.746 8.952 1.00 0.00 WT1 H ATOM 8965 OH2 TIP3 2068 27.409 82.529 21.234 1.00 0.00 WT1 O ATOM 8966 H1 TIP3 2068 26.951 82.071 21.938 1.00 0.00 WT1 H ATOM 8967 H2 TIP3 2068 26.747 83.102 20.849 1.00 0.00 WT1 H ATOM 8968 OH2 TIP3 2069 67.664 29.521 -16.149 1.00 0.00 WT1 O ATOM 8969 H1 TIP3 2069 68.568 29.528 -15.835 1.00 0.00 WT1 H ATOM 8970 H2 TIP3 2069 67.134 29.622 -15.358 1.00 0.00 WT1 H ATOM 8971 OH2 TIP3 2070 67.101 32.730 43.579 1.00 0.00 WT1 O ATOM 8972 H1 TIP3 2070 67.474 31.884 43.327 1.00 0.00 WT1 H ATOM 8973 H2 TIP3 2070 67.709 33.075 44.232 1.00 0.00 WT1 H ATOM 8974 OH2 TIP3 2071 69.930 43.350 10.877 1.00 0.00 WT1 O ATOM 8975 H1 TIP3 2071 70.109 44.019 11.538 1.00 0.00 WT1 H ATOM 8976 H2 TIP3 2071 69.421 42.685 11.341 1.00 0.00 WT1 H ATOM 8977 OH2 TIP3 2074 83.529 66.434 48.382 1.00 0.00 WT1 O ATOM 8978 H1 TIP3 2074 84.186 65.782 48.139 1.00 0.00 WT1 H ATOM 8979 H2 TIP3 2074 83.775 66.704 49.267 1.00 0.00 WT1 H ATOM 8980 OH2 TIP3 2075 47.333 80.919 -11.632 1.00 0.00 WT1 O ATOM 8981 H1 TIP3 2075 47.710 80.327 -10.980 1.00 0.00 WT1 H ATOM 8982 H2 TIP3 2075 46.440 80.599 -11.758 1.00 0.00 WT1 H ATOM 8983 OH2 TIP3 2076 21.192 89.500 8.314 1.00 0.00 WT1 O ATOM 8984 H1 TIP3 2076 21.939 89.318 8.884 1.00 0.00 WT1 H ATOM 8985 H2 TIP3 2076 20.600 88.761 8.452 1.00 0.00 WT1 H ATOM 8986 OH2 TIP3 2079 89.579 36.698 44.649 1.00 0.00 WT1 O ATOM 8987 H1 TIP3 2079 90.399 36.680 45.142 1.00 0.00 WT1 H ATOM 8988 H2 TIP3 2079 88.905 36.861 45.309 1.00 0.00 WT1 H ATOM 8989 OH2 TIP3 2080 57.880 45.625 45.072 1.00 0.00 WT1 O ATOM 8990 H1 TIP3 2080 57.678 46.032 44.230 1.00 0.00 WT1 H ATOM 8991 H2 TIP3 2080 58.687 45.135 44.914 1.00 0.00 WT1 H ATOM 8992 OH2 TIP3 2081 29.491 82.431 -6.705 1.00 0.00 WT1 O ATOM 8993 H1 TIP3 2081 28.575 82.421 -6.426 1.00 0.00 WT1 H ATOM 8994 H2 TIP3 2081 29.455 82.634 -7.639 1.00 0.00 WT1 H ATOM 8995 OH2 TIP3 2082 31.367 86.479 -8.382 1.00 0.00 WT1 O ATOM 8996 H1 TIP3 2082 30.997 86.949 -9.129 1.00 0.00 WT1 H ATOM 8997 H2 TIP3 2082 30.687 86.522 -7.710 1.00 0.00 WT1 H ATOM 8998 OH2 TIP3 2083 28.068 54.128 59.531 1.00 0.00 WT1 O ATOM 8999 H1 TIP3 2083 27.961 54.459 60.423 1.00 0.00 WT1 H ATOM 9000 H2 TIP3 2083 27.274 53.620 59.367 1.00 0.00 WT1 H ATOM 9001 OH2 TIP3 2084 39.039 15.846 7.175 1.00 0.00 WT1 O ATOM 9002 H1 TIP3 2084 39.826 15.559 7.638 1.00 0.00 WT1 H ATOM 9003 H2 TIP3 2084 39.362 16.439 6.497 1.00 0.00 WT1 H ATOM 9004 OH2 TIP3 2086 86.783 55.355 59.181 1.00 0.00 WT1 O ATOM 9005 H1 TIP3 2086 86.524 54.490 59.499 1.00 0.00 WT1 H ATOM 9006 H2 TIP3 2086 86.894 55.879 59.975 1.00 0.00 WT1 H ATOM 9007 OH2 TIP3 2087 70.552 93.843 9.219 1.00 0.00 WT1 O ATOM 9008 H1 TIP3 2087 69.599 93.758 9.249 1.00 0.00 WT1 H ATOM 9009 H2 TIP3 2087 70.811 93.362 8.433 1.00 0.00 WT1 H ATOM 9010 OH2 TIP3 2088 76.599 35.127 -10.130 1.00 0.00 WT1 O ATOM 9011 H1 TIP3 2088 77.459 34.721 -10.243 1.00 0.00 WT1 H ATOM 9012 H2 TIP3 2088 76.678 35.636 -9.324 1.00 0.00 WT1 H ATOM 9013 OH2 TIP3 2089 78.156 84.736 -8.349 1.00 0.00 WT1 O ATOM 9014 H1 TIP3 2089 79.062 84.610 -8.632 1.00 0.00 WT1 H ATOM 9015 H2 TIP3 2089 78.144 84.435 -7.441 1.00 0.00 WT1 H ATOM 9016 OH2 TIP3 2090 67.378 93.939 9.182 1.00 0.00 WT1 O ATOM 9017 H1 TIP3 2090 66.537 94.395 9.160 1.00 0.00 WT1 H ATOM 9018 H2 TIP3 2090 67.772 94.121 8.328 1.00 0.00 WT1 H ATOM 9019 OH2 TIP3 2091 43.676 34.232 8.322 1.00 0.00 WT1 O ATOM 9020 H1 TIP3 2091 42.912 33.796 8.699 1.00 0.00 WT1 H ATOM 9021 H2 TIP3 2091 44.133 34.608 9.074 1.00 0.00 WT1 H ATOM 9022 OH2 TIP3 2092 35.281 69.672 65.269 1.00 0.00 WT1 O ATOM 9023 H1 TIP3 2092 36.137 69.262 65.149 1.00 0.00 WT1 H ATOM 9024 H2 TIP3 2092 34.688 68.942 65.445 1.00 0.00 WT1 H ATOM 9025 OH2 TIP3 2093 62.441 53.097 26.723 1.00 0.00 WT1 O ATOM 9026 H1 TIP3 2093 62.403 52.362 27.335 1.00 0.00 WT1 H ATOM 9027 H2 TIP3 2093 61.580 53.108 26.306 1.00 0.00 WT1 H ATOM 9028 OH2 TIP3 2094 47.216 46.472 24.343 1.00 0.00 WT1 O ATOM 9029 H1 TIP3 2094 47.323 46.653 23.409 1.00 0.00 WT1 H ATOM 9030 H2 TIP3 2094 46.339 46.794 24.551 1.00 0.00 WT1 H ATOM 9031 OH2 TIP3 2095 31.118 27.361 -0.366 1.00 0.00 WT1 O ATOM 9032 H1 TIP3 2095 30.221 27.680 -0.457 1.00 0.00 WT1 H ATOM 9033 H2 TIP3 2095 31.628 27.901 -0.970 1.00 0.00 WT1 H ATOM 9034 OH2 TIP3 2096 75.486 61.930 37.122 1.00 0.00 WT1 O ATOM 9035 H1 TIP3 2096 75.657 62.380 37.949 1.00 0.00 WT1 H ATOM 9036 H2 TIP3 2096 75.066 61.109 37.378 1.00 0.00 WT1 H ATOM 9037 OH2 TIP3 2098 40.671 3.565 32.362 1.00 0.00 WT1 O ATOM 9038 H1 TIP3 2098 41.105 4.300 31.927 1.00 0.00 WT1 H ATOM 9039 H2 TIP3 2098 40.716 3.778 33.294 1.00 0.00 WT1 H ATOM 9040 OH2 TIP3 2100 26.701 12.959 39.448 1.00 0.00 WT1 O ATOM 9041 H1 TIP3 2100 27.616 13.226 39.538 1.00 0.00 WT1 H ATOM 9042 H2 TIP3 2100 26.539 12.400 40.207 1.00 0.00 WT1 H ATOM 9043 OH2 TIP3 2102 49.100 11.526 -5.341 1.00 0.00 WT1 O ATOM 9044 H1 TIP3 2102 49.697 11.079 -4.741 1.00 0.00 WT1 H ATOM 9045 H2 TIP3 2102 48.482 10.848 -5.613 1.00 0.00 WT1 H ATOM 9046 OH2 TIP3 2103 31.619 80.888 -12.597 1.00 0.00 WT1 O ATOM 9047 H1 TIP3 2103 32.553 80.906 -12.391 1.00 0.00 WT1 H ATOM 9048 H2 TIP3 2103 31.256 80.226 -12.008 1.00 0.00 WT1 H ATOM 9049 OH2 TIP3 2104 48.092 89.431 33.021 1.00 0.00 WT1 O ATOM 9050 H1 TIP3 2104 47.812 88.565 33.317 1.00 0.00 WT1 H ATOM 9051 H2 TIP3 2104 49.039 89.439 33.164 1.00 0.00 WT1 H ATOM 9052 OH2 TIP3 2105 34.749 10.680 66.974 1.00 0.00 WT1 O ATOM 9053 H1 TIP3 2105 34.308 10.448 66.157 1.00 0.00 WT1 H ATOM 9054 H2 TIP3 2105 35.329 9.940 67.152 1.00 0.00 WT1 H ATOM 9055 OH2 TIP3 2106 78.748 19.456 6.733 1.00 0.00 WT1 O ATOM 9056 H1 TIP3 2106 78.790 20.411 6.678 1.00 0.00 WT1 H ATOM 9057 H2 TIP3 2106 78.750 19.163 5.822 1.00 0.00 WT1 H ATOM 9058 OH2 TIP3 2107 76.535 13.795 -8.937 1.00 0.00 WT1 O ATOM 9059 H1 TIP3 2107 76.978 13.748 -8.090 1.00 0.00 WT1 H ATOM 9060 H2 TIP3 2107 76.059 14.626 -8.913 1.00 0.00 WT1 H ATOM 9061 OH2 TIP3 2108 55.588 53.283 -11.623 1.00 0.00 WT1 O ATOM 9062 H1 TIP3 2108 55.829 53.182 -10.702 1.00 0.00 WT1 H ATOM 9063 H2 TIP3 2108 55.857 52.461 -12.033 1.00 0.00 WT1 H ATOM 9064 OH2 TIP3 2109 31.614 80.184 17.550 1.00 0.00 WT1 O ATOM 9065 H1 TIP3 2109 31.535 79.633 18.329 1.00 0.00 WT1 H ATOM 9066 H2 TIP3 2109 30.745 80.161 17.151 1.00 0.00 WT1 H ATOM 9067 OH2 TIP3 2110 29.171 32.911 16.182 1.00 0.00 WT1 O ATOM 9068 H1 TIP3 2110 29.484 33.812 16.102 1.00 0.00 WT1 H ATOM 9069 H2 TIP3 2110 29.724 32.524 16.860 1.00 0.00 WT1 H ATOM 9070 OH2 TIP3 2112 54.111 58.023 -14.572 1.00 0.00 WT1 O ATOM 9071 H1 TIP3 2112 53.226 58.257 -14.850 1.00 0.00 WT1 H ATOM 9072 H2 TIP3 2112 54.246 58.515 -13.763 1.00 0.00 WT1 H ATOM 9073 OH2 TIP3 2113 48.788 4.287 56.362 1.00 0.00 WT1 O ATOM 9074 H1 TIP3 2113 48.904 4.311 57.312 1.00 0.00 WT1 H ATOM 9075 H2 TIP3 2113 48.622 5.198 56.118 1.00 0.00 WT1 H ATOM 9076 OH2 TIP3 2114 76.609 55.021 -11.239 1.00 0.00 WT1 O ATOM 9077 H1 TIP3 2114 76.498 54.077 -11.122 1.00 0.00 WT1 H ATOM 9078 H2 TIP3 2114 76.247 55.199 -12.106 1.00 0.00 WT1 H ATOM 9079 OH2 TIP3 2115 43.002 50.910 12.002 1.00 0.00 WT1 O ATOM 9080 H1 TIP3 2115 42.681 51.563 12.623 1.00 0.00 WT1 H ATOM 9081 H2 TIP3 2115 43.677 51.367 11.500 1.00 0.00 WT1 H ATOM 9082 OH2 TIP3 2116 70.807 80.807 53.342 1.00 0.00 WT1 O ATOM 9083 H1 TIP3 2116 70.868 81.409 54.084 1.00 0.00 WT1 H ATOM 9084 H2 TIP3 2116 71.148 81.305 52.600 1.00 0.00 WT1 H ATOM 9085 OH2 TIP3 2117 31.040 57.030 -4.450 1.00 0.00 WT1 O ATOM 9086 H1 TIP3 2117 31.801 57.010 -3.869 1.00 0.00 WT1 H ATOM 9087 H2 TIP3 2117 30.594 56.199 -4.289 1.00 0.00 WT1 H ATOM 9088 OH2 TIP3 2118 67.898 40.605 21.401 1.00 0.00 WT1 O ATOM 9089 H1 TIP3 2118 66.983 40.856 21.275 1.00 0.00 WT1 H ATOM 9090 H2 TIP3 2118 68.393 41.404 21.218 1.00 0.00 WT1 H ATOM 9091 OH2 TIP3 2119 84.974 93.318 37.183 1.00 0.00 WT1 O ATOM 9092 H1 TIP3 2119 85.807 93.172 37.631 1.00 0.00 WT1 H ATOM 9093 H2 TIP3 2119 85.182 93.942 36.488 1.00 0.00 WT1 H ATOM 9094 OH2 TIP3 2120 75.518 67.359 3.687 1.00 0.00 WT1 O ATOM 9095 H1 TIP3 2120 74.719 67.255 3.170 1.00 0.00 WT1 H ATOM 9096 H2 TIP3 2120 75.222 67.324 4.597 1.00 0.00 WT1 H ATOM 9097 OH2 TIP3 2121 40.151 85.991 11.330 1.00 0.00 WT1 O ATOM 9098 H1 TIP3 2121 40.475 85.100 11.199 1.00 0.00 WT1 H ATOM 9099 H2 TIP3 2121 39.721 85.967 12.185 1.00 0.00 WT1 H ATOM 9100 OH2 TIP3 2122 60.032 78.014 -5.593 1.00 0.00 WT1 O ATOM 9101 H1 TIP3 2122 60.975 78.034 -5.753 1.00 0.00 WT1 H ATOM 9102 H2 TIP3 2122 59.951 77.833 -4.657 1.00 0.00 WT1 H ATOM 9103 OH2 TIP3 2123 48.059 84.689 24.039 1.00 0.00 WT1 O ATOM 9104 H1 TIP3 2123 47.610 83.860 23.872 1.00 0.00 WT1 H ATOM 9105 H2 TIP3 2123 48.320 85.000 23.173 1.00 0.00 WT1 H ATOM 9106 OH2 TIP3 2124 36.377 95.814 61.034 1.00 0.00 WT1 O ATOM 9107 H1 TIP3 2124 36.311 95.437 61.912 1.00 0.00 WT1 H ATOM 9108 H2 TIP3 2124 35.604 96.373 60.954 1.00 0.00 WT1 H ATOM 9109 OH2 TIP3 2125 64.614 88.279 16.434 1.00 0.00 WT1 O ATOM 9110 H1 TIP3 2125 64.463 88.203 17.376 1.00 0.00 WT1 H ATOM 9111 H2 TIP3 2125 64.135 87.542 16.055 1.00 0.00 WT1 H ATOM 9112 OH2 TIP3 2126 84.463 28.668 46.549 1.00 0.00 WT1 O ATOM 9113 H1 TIP3 2126 85.029 28.511 45.793 1.00 0.00 WT1 H ATOM 9114 H2 TIP3 2126 83.585 28.441 46.242 1.00 0.00 WT1 H ATOM 9115 OH2 TIP3 2127 54.265 90.332 12.835 1.00 0.00 WT1 O ATOM 9116 H1 TIP3 2127 55.209 90.230 12.954 1.00 0.00 WT1 H ATOM 9117 H2 TIP3 2127 53.961 89.464 12.569 1.00 0.00 WT1 H ATOM 9118 OH2 TIP3 2128 41.368 80.556 55.943 1.00 0.00 WT1 O ATOM 9119 H1 TIP3 2128 41.864 81.369 55.851 1.00 0.00 WT1 H ATOM 9120 H2 TIP3 2128 40.464 80.840 56.079 1.00 0.00 WT1 H ATOM 9121 OH2 TIP3 2129 34.758 33.591 56.375 1.00 0.00 WT1 O ATOM 9122 H1 TIP3 2129 34.274 33.639 57.199 1.00 0.00 WT1 H ATOM 9123 H2 TIP3 2129 34.088 33.426 55.712 1.00 0.00 WT1 H ATOM 9124 OH2 TIP3 2130 73.942 55.146 55.747 1.00 0.00 WT1 O ATOM 9125 H1 TIP3 2130 73.041 54.829 55.701 1.00 0.00 WT1 H ATOM 9126 H2 TIP3 2130 73.986 55.842 55.091 1.00 0.00 WT1 H ATOM 9127 OH2 TIP3 2131 30.633 55.688 -0.968 1.00 0.00 WT1 O ATOM 9128 H1 TIP3 2131 29.907 56.073 -0.477 1.00 0.00 WT1 H ATOM 9129 H2 TIP3 2131 31.136 55.203 -0.314 1.00 0.00 WT1 H ATOM 9130 OH2 TIP3 2132 61.985 46.157 -5.805 1.00 0.00 WT1 O ATOM 9131 H1 TIP3 2132 61.802 47.016 -5.425 1.00 0.00 WT1 H ATOM 9132 H2 TIP3 2132 61.733 45.534 -5.123 1.00 0.00 WT1 H ATOM 9133 OH2 TIP3 2133 24.300 6.092 29.153 1.00 0.00 WT1 O ATOM 9134 H1 TIP3 2133 24.755 5.355 28.746 1.00 0.00 WT1 H ATOM 9135 H2 TIP3 2133 24.850 6.851 28.958 1.00 0.00 WT1 H ATOM 9136 OH2 TIP3 2134 21.279 51.927 22.921 1.00 0.00 WT1 O ATOM 9137 H1 TIP3 2134 20.616 52.584 22.706 1.00 0.00 WT1 H ATOM 9138 H2 TIP3 2134 22.113 52.360 22.740 1.00 0.00 WT1 H ATOM 9139 OH2 TIP3 2135 24.319 43.675 2.536 1.00 0.00 WT1 O ATOM 9140 H1 TIP3 2135 24.794 44.289 3.095 1.00 0.00 WT1 H ATOM 9141 H2 TIP3 2135 23.402 43.778 2.790 1.00 0.00 WT1 H ATOM 9142 OH2 TIP3 2136 29.040 64.034 65.233 1.00 0.00 WT1 O ATOM 9143 H1 TIP3 2136 28.398 63.970 65.941 1.00 0.00 WT1 H ATOM 9144 H2 TIP3 2136 29.711 63.390 65.460 1.00 0.00 WT1 H ATOM 9145 OH2 TIP3 2137 29.767 27.906 -8.319 1.00 0.00 WT1 O ATOM 9146 H1 TIP3 2137 30.570 27.989 -8.834 1.00 0.00 WT1 H ATOM 9147 H2 TIP3 2137 29.277 28.706 -8.507 1.00 0.00 WT1 H ATOM 9148 OH2 TIP3 2138 87.680 17.197 8.284 1.00 0.00 WT1 O ATOM 9149 H1 TIP3 2138 88.131 17.678 7.590 1.00 0.00 WT1 H ATOM 9150 H2 TIP3 2138 87.187 17.867 8.758 1.00 0.00 WT1 H ATOM 9151 OH2 TIP3 2139 26.404 35.656 59.120 1.00 0.00 WT1 O ATOM 9152 H1 TIP3 2139 27.352 35.748 59.214 1.00 0.00 WT1 H ATOM 9153 H2 TIP3 2139 26.223 35.938 58.223 1.00 0.00 WT1 H ATOM 9154 OH2 TIP3 2140 35.172 43.051 35.842 1.00 0.00 WT1 O ATOM 9155 H1 TIP3 2140 36.111 43.231 35.813 1.00 0.00 WT1 H ATOM 9156 H2 TIP3 2140 34.909 43.001 34.923 1.00 0.00 WT1 H ATOM 9157 OH2 TIP3 2141 31.789 12.738 -18.889 1.00 0.00 WT1 O ATOM 9158 H1 TIP3 2141 32.464 12.791 -19.567 1.00 0.00 WT1 H ATOM 9159 H2 TIP3 2141 31.754 13.619 -18.516 1.00 0.00 WT1 H ATOM 9160 OH2 TIP3 2143 37.956 28.908 -10.067 1.00 0.00 WT1 O ATOM 9161 H1 TIP3 2143 38.512 29.624 -9.760 1.00 0.00 WT1 H ATOM 9162 H2 TIP3 2143 37.951 28.281 -9.344 1.00 0.00 WT1 H ATOM 9163 OH2 TIP3 2144 29.739 95.817 10.920 1.00 0.00 WT1 O ATOM 9164 H1 TIP3 2144 29.400 96.395 10.237 1.00 0.00 WT1 H ATOM 9165 H2 TIP3 2144 29.402 96.187 11.736 1.00 0.00 WT1 H ATOM 9166 OH2 TIP3 2145 80.939 93.219 58.625 1.00 0.00 WT1 O ATOM 9167 H1 TIP3 2145 81.848 93.053 58.876 1.00 0.00 WT1 H ATOM 9168 H2 TIP3 2145 80.855 94.172 58.640 1.00 0.00 WT1 H ATOM 9169 OH2 TIP3 2146 89.597 67.494 -4.832 1.00 0.00 WT1 O ATOM 9170 H1 TIP3 2146 89.299 68.395 -4.707 1.00 0.00 WT1 H ATOM 9171 H2 TIP3 2146 89.006 66.970 -4.291 1.00 0.00 WT1 H ATOM 9172 OH2 TIP3 2147 87.780 57.502 61.372 1.00 0.00 WT1 O ATOM 9173 H1 TIP3 2147 88.171 57.707 60.522 1.00 0.00 WT1 H ATOM 9174 H2 TIP3 2147 86.875 57.803 61.298 1.00 0.00 WT1 H ATOM 9175 OH2 TIP3 2148 46.422 9.999 29.462 1.00 0.00 WT1 O ATOM 9176 H1 TIP3 2148 46.908 10.705 29.887 1.00 0.00 WT1 H ATOM 9177 H2 TIP3 2148 46.634 9.219 29.975 1.00 0.00 WT1 H ATOM 9178 OH2 TIP3 2149 62.257 92.341 1.465 1.00 0.00 WT1 O ATOM 9179 H1 TIP3 2149 61.980 92.071 0.590 1.00 0.00 WT1 H ATOM 9180 H2 TIP3 2149 61.775 93.151 1.630 1.00 0.00 WT1 H ATOM 9181 OH2 TIP3 2150 40.477 66.377 12.698 1.00 0.00 WT1 O ATOM 9182 H1 TIP3 2150 40.261 65.459 12.535 1.00 0.00 WT1 H ATOM 9183 H2 TIP3 2150 41.296 66.519 12.224 1.00 0.00 WT1 H ATOM 9184 OH2 TIP3 2151 24.497 68.812 36.784 1.00 0.00 WT1 O ATOM 9185 H1 TIP3 2151 24.051 68.540 35.982 1.00 0.00 WT1 H ATOM 9186 H2 TIP3 2151 25.428 68.724 36.583 1.00 0.00 WT1 H ATOM 9187 OH2 TIP3 2152 44.779 60.802 -1.193 1.00 0.00 WT1 O ATOM 9188 H1 TIP3 2152 44.154 60.623 -0.490 1.00 0.00 WT1 H ATOM 9189 H2 TIP3 2152 45.631 60.816 -0.758 1.00 0.00 WT1 H ATOM 9190 OH2 TIP3 2153 38.235 33.169 28.419 1.00 0.00 WT1 O ATOM 9191 H1 TIP3 2153 37.962 33.942 28.914 1.00 0.00 WT1 H ATOM 9192 H2 TIP3 2153 37.624 33.126 27.683 1.00 0.00 WT1 H ATOM 9193 OH2 TIP3 2154 43.699 51.240 8.337 1.00 0.00 WT1 O ATOM 9194 H1 TIP3 2154 44.160 50.605 8.885 1.00 0.00 WT1 H ATOM 9195 H2 TIP3 2154 44.333 51.944 8.201 1.00 0.00 WT1 H ATOM 9196 OH2 TIP3 2155 48.865 94.941 15.724 1.00 0.00 WT1 O ATOM 9197 H1 TIP3 2155 48.641 94.656 16.610 1.00 0.00 WT1 H ATOM 9198 H2 TIP3 2155 49.705 94.520 15.542 1.00 0.00 WT1 H ATOM 9199 OH2 TIP3 2156 55.209 39.748 22.523 1.00 0.00 WT1 O ATOM 9200 H1 TIP3 2156 55.345 40.690 22.415 1.00 0.00 WT1 H ATOM 9201 H2 TIP3 2156 55.899 39.344 21.997 1.00 0.00 WT1 H ATOM 9202 OH2 TIP3 2157 29.807 49.284 53.213 1.00 0.00 WT1 O ATOM 9203 H1 TIP3 2157 29.171 49.585 53.862 1.00 0.00 WT1 H ATOM 9204 H2 TIP3 2157 29.325 48.650 52.681 1.00 0.00 WT1 H ATOM 9205 OH2 TIP3 2158 33.256 73.583 -10.214 1.00 0.00 WT1 O ATOM 9206 H1 TIP3 2158 32.774 73.415 -9.404 1.00 0.00 WT1 H ATOM 9207 H2 TIP3 2158 33.470 72.713 -10.551 1.00 0.00 WT1 H ATOM 9208 OH2 TIP3 2160 68.559 68.712 32.786 1.00 0.00 WT1 O ATOM 9209 H1 TIP3 2160 67.955 68.137 33.255 1.00 0.00 WT1 H ATOM 9210 H2 TIP3 2160 68.167 68.816 31.919 1.00 0.00 WT1 H ATOM 9211 OH2 TIP3 2161 84.872 36.146 38.500 1.00 0.00 WT1 O ATOM 9212 H1 TIP3 2161 85.206 36.321 39.380 1.00 0.00 WT1 H ATOM 9213 H2 TIP3 2161 85.588 36.400 37.917 1.00 0.00 WT1 H ATOM 9214 OH2 TIP3 2162 78.604 67.214 26.831 1.00 0.00 WT1 O ATOM 9215 H1 TIP3 2162 79.252 66.843 26.232 1.00 0.00 WT1 H ATOM 9216 H2 TIP3 2162 78.266 67.983 26.372 1.00 0.00 WT1 H ATOM 9217 OH2 TIP3 2163 37.674 78.061 11.642 1.00 0.00 WT1 O ATOM 9218 H1 TIP3 2163 37.657 79.017 11.597 1.00 0.00 WT1 H ATOM 9219 H2 TIP3 2163 37.843 77.867 12.564 1.00 0.00 WT1 H ATOM 9220 OH2 TIP3 2165 52.685 18.186 4.401 1.00 0.00 WT1 O ATOM 9221 H1 TIP3 2165 53.205 17.434 4.687 1.00 0.00 WT1 H ATOM 9222 H2 TIP3 2165 51.777 17.893 4.478 1.00 0.00 WT1 H ATOM 9223 OH2 TIP3 2166 23.123 53.213 30.562 1.00 0.00 WT1 O ATOM 9224 H1 TIP3 2166 22.553 53.735 29.997 1.00 0.00 WT1 H ATOM 9225 H2 TIP3 2166 23.970 53.215 30.115 1.00 0.00 WT1 H ATOM 9226 OH2 TIP3 2167 37.535 39.499 58.836 1.00 0.00 WT1 O ATOM 9227 H1 TIP3 2167 38.139 40.060 58.350 1.00 0.00 WT1 H ATOM 9228 H2 TIP3 2167 36.666 39.767 58.536 1.00 0.00 WT1 H ATOM 9229 OH2 TIP3 2168 49.427 16.828 -15.752 1.00 0.00 WT1 O ATOM 9230 H1 TIP3 2168 49.178 17.228 -14.918 1.00 0.00 WT1 H ATOM 9231 H2 TIP3 2168 50.133 17.383 -16.082 1.00 0.00 WT1 H ATOM 9232 OH2 TIP3 2169 28.168 43.345 6.170 1.00 0.00 WT1 O ATOM 9233 H1 TIP3 2169 27.687 42.642 5.733 1.00 0.00 WT1 H ATOM 9234 H2 TIP3 2169 27.493 43.852 6.622 1.00 0.00 WT1 H ATOM 9235 OH2 TIP3 2170 69.940 71.020 1.152 1.00 0.00 WT1 O ATOM 9236 H1 TIP3 2170 69.129 70.542 1.321 1.00 0.00 WT1 H ATOM 9237 H2 TIP3 2170 69.665 71.794 0.661 1.00 0.00 WT1 H ATOM 9238 OH2 TIP3 2171 50.321 84.546 36.636 1.00 0.00 WT1 O ATOM 9239 H1 TIP3 2171 49.670 84.495 37.336 1.00 0.00 WT1 H ATOM 9240 H2 TIP3 2171 50.000 83.943 35.965 1.00 0.00 WT1 H ATOM 9241 OH2 TIP3 2172 71.747 73.740 36.066 1.00 0.00 WT1 O ATOM 9242 H1 TIP3 2172 71.076 74.345 36.383 1.00 0.00 WT1 H ATOM 9243 H2 TIP3 2172 72.566 74.080 36.427 1.00 0.00 WT1 H ATOM 9244 OH2 TIP3 2173 63.236 87.012 11.635 1.00 0.00 WT1 O ATOM 9245 H1 TIP3 2173 62.536 86.373 11.496 1.00 0.00 WT1 H ATOM 9246 H2 TIP3 2173 64.044 86.505 11.550 1.00 0.00 WT1 H ATOM 9247 OH2 TIP3 2176 40.384 56.349 -18.036 1.00 0.00 WT1 O ATOM 9248 H1 TIP3 2176 40.923 55.643 -17.681 1.00 0.00 WT1 H ATOM 9249 H2 TIP3 2176 40.668 56.434 -18.946 1.00 0.00 WT1 H ATOM 9250 OH2 TIP3 2177 89.581 41.661 12.790 1.00 0.00 WT1 O ATOM 9251 H1 TIP3 2177 88.752 42.101 12.604 1.00 0.00 WT1 H ATOM 9252 H2 TIP3 2177 90.243 42.211 12.370 1.00 0.00 WT1 H ATOM 9253 OH2 TIP3 2178 27.035 41.632 36.728 1.00 0.00 WT1 O ATOM 9254 H1 TIP3 2178 26.482 42.411 36.787 1.00 0.00 WT1 H ATOM 9255 H2 TIP3 2178 26.433 40.899 36.859 1.00 0.00 WT1 H ATOM 9256 OH2 TIP3 2180 65.802 34.507 49.324 1.00 0.00 WT1 O ATOM 9257 H1 TIP3 2180 64.876 34.627 49.113 1.00 0.00 WT1 H ATOM 9258 H2 TIP3 2180 65.849 34.625 50.273 1.00 0.00 WT1 H ATOM 9259 OH2 TIP3 2181 21.299 36.514 48.461 1.00 0.00 WT1 O ATOM 9260 H1 TIP3 2181 21.284 36.670 47.517 1.00 0.00 WT1 H ATOM 9261 H2 TIP3 2181 20.481 36.895 48.781 1.00 0.00 WT1 H ATOM 9262 OH2 TIP3 2182 83.178 63.464 41.893 1.00 0.00 WT1 O ATOM 9263 H1 TIP3 2182 83.781 63.259 41.179 1.00 0.00 WT1 H ATOM 9264 H2 TIP3 2182 83.633 64.129 42.409 1.00 0.00 WT1 H ATOM 9265 OH2 TIP3 2183 86.894 62.175 43.744 1.00 0.00 WT1 O ATOM 9266 H1 TIP3 2183 87.711 61.797 43.419 1.00 0.00 WT1 H ATOM 9267 H2 TIP3 2183 86.427 61.437 44.134 1.00 0.00 WT1 H ATOM 9268 OH2 TIP3 2184 36.810 75.478 11.303 1.00 0.00 WT1 O ATOM 9269 H1 TIP3 2184 36.038 75.370 11.858 1.00 0.00 WT1 H ATOM 9270 H2 TIP3 2184 37.085 76.383 11.448 1.00 0.00 WT1 H ATOM 9271 OH2 TIP3 2185 56.870 84.748 20.414 1.00 0.00 WT1 O ATOM 9272 H1 TIP3 2185 57.471 84.106 20.037 1.00 0.00 WT1 H ATOM 9273 H2 TIP3 2185 57.162 84.848 21.320 1.00 0.00 WT1 H ATOM 9274 OH2 TIP3 2186 34.541 5.623 59.410 1.00 0.00 WT1 O ATOM 9275 H1 TIP3 2186 35.094 6.352 59.691 1.00 0.00 WT1 H ATOM 9276 H2 TIP3 2186 35.038 5.202 58.708 1.00 0.00 WT1 H ATOM 9277 OH2 TIP3 2187 41.222 78.625 -7.732 1.00 0.00 WT1 O ATOM 9278 H1 TIP3 2187 41.586 79.508 -7.677 1.00 0.00 WT1 H ATOM 9279 H2 TIP3 2187 41.813 78.088 -7.203 1.00 0.00 WT1 H ATOM 9280 OH2 TIP3 2188 38.360 24.544 -5.980 1.00 0.00 WT1 O ATOM 9281 H1 TIP3 2188 38.264 24.935 -5.111 1.00 0.00 WT1 H ATOM 9282 H2 TIP3 2188 38.875 23.751 -5.830 1.00 0.00 WT1 H ATOM 9283 OH2 TIP3 2189 65.281 7.250 4.244 1.00 0.00 WT1 O ATOM 9284 H1 TIP3 2189 64.590 7.909 4.303 1.00 0.00 WT1 H ATOM 9285 H2 TIP3 2189 65.098 6.781 3.430 1.00 0.00 WT1 H ATOM 9286 OH2 TIP3 2190 54.099 43.419 -7.468 1.00 0.00 WT1 O ATOM 9287 H1 TIP3 2190 53.680 44.245 -7.709 1.00 0.00 WT1 H ATOM 9288 H2 TIP3 2190 54.182 43.461 -6.516 1.00 0.00 WT1 H ATOM 9289 OH2 TIP3 2191 77.897 42.973 44.920 1.00 0.00 WT1 O ATOM 9290 H1 TIP3 2191 78.202 43.039 45.825 1.00 0.00 WT1 H ATOM 9291 H2 TIP3 2191 77.676 43.872 44.675 1.00 0.00 WT1 H ATOM 9292 OH2 TIP3 2192 67.959 39.335 56.445 1.00 0.00 WT1 O ATOM 9293 H1 TIP3 2192 67.176 38.788 56.505 1.00 0.00 WT1 H ATOM 9294 H2 TIP3 2192 68.388 39.052 55.637 1.00 0.00 WT1 H ATOM 9295 OH2 TIP3 2193 22.814 33.895 37.706 1.00 0.00 WT1 O ATOM 9296 H1 TIP3 2193 22.908 33.369 36.912 1.00 0.00 WT1 H ATOM 9297 H2 TIP3 2193 22.569 34.765 37.391 1.00 0.00 WT1 H ATOM 9298 OH2 TIP3 2194 54.942 21.458 -1.064 1.00 0.00 WT1 O ATOM 9299 H1 TIP3 2194 54.932 21.765 -0.157 1.00 0.00 WT1 H ATOM 9300 H2 TIP3 2194 54.265 20.782 -1.095 1.00 0.00 WT1 H ATOM 9301 OH2 TIP3 2195 49.976 17.256 14.976 1.00 0.00 WT1 O ATOM 9302 H1 TIP3 2195 49.339 17.826 15.406 1.00 0.00 WT1 H ATOM 9303 H2 TIP3 2195 50.019 17.580 14.076 1.00 0.00 WT1 H ATOM 9304 OH2 TIP3 2196 78.118 43.016 -18.926 1.00 0.00 WT1 O ATOM 9305 H1 TIP3 2196 77.366 43.508 -19.254 1.00 0.00 WT1 H ATOM 9306 H2 TIP3 2196 78.802 43.675 -18.806 1.00 0.00 WT1 H ATOM 9307 OH2 TIP3 2197 65.571 43.738 43.580 1.00 0.00 WT1 O ATOM 9308 H1 TIP3 2197 65.042 43.874 42.793 1.00 0.00 WT1 H ATOM 9309 H2 TIP3 2197 65.820 44.620 43.857 1.00 0.00 WT1 H ATOM 9310 OH2 TIP3 2198 42.583 42.932 33.743 1.00 0.00 WT1 O ATOM 9311 H1 TIP3 2198 42.137 43.778 33.776 1.00 0.00 WT1 H ATOM 9312 H2 TIP3 2198 43.510 43.153 33.649 1.00 0.00 WT1 H ATOM 9313 OH2 TIP3 2199 33.979 39.803 -8.561 1.00 0.00 WT1 O ATOM 9314 H1 TIP3 2199 34.315 40.351 -9.270 1.00 0.00 WT1 H ATOM 9315 H2 TIP3 2199 33.919 40.393 -7.810 1.00 0.00 WT1 H ATOM 9316 OH2 TIP3 2200 40.694 6.194 2.115 1.00 0.00 WT1 O ATOM 9317 H1 TIP3 2200 41.280 6.529 2.795 1.00 0.00 WT1 H ATOM 9318 H2 TIP3 2200 40.439 6.970 1.616 1.00 0.00 WT1 H ATOM 9319 OH2 TIP3 2201 36.822 1.064 7.219 1.00 0.00 WT1 O ATOM 9320 H1 TIP3 2201 36.642 1.606 6.451 1.00 0.00 WT1 H ATOM 9321 H2 TIP3 2201 36.296 1.454 7.917 1.00 0.00 WT1 H ATOM 9322 OH2 TIP3 2202 30.574 3.773 1.734 1.00 0.00 WT1 O ATOM 9323 H1 TIP3 2202 30.951 3.871 0.860 1.00 0.00 WT1 H ATOM 9324 H2 TIP3 2202 31.228 4.152 2.322 1.00 0.00 WT1 H ATOM 9325 OH2 TIP3 2203 85.691 82.533 10.514 1.00 0.00 WT1 O ATOM 9326 H1 TIP3 2203 86.398 82.968 10.037 1.00 0.00 WT1 H ATOM 9327 H2 TIP3 2203 84.945 82.558 9.915 1.00 0.00 WT1 H ATOM 9328 OH2 TIP3 2204 31.562 57.826 19.181 1.00 0.00 WT1 O ATOM 9329 H1 TIP3 2204 31.743 56.947 18.849 1.00 0.00 WT1 H ATOM 9330 H2 TIP3 2204 32.425 58.188 19.383 1.00 0.00 WT1 H ATOM 9331 OH2 TIP3 2205 20.938 16.260 -17.149 1.00 0.00 WT1 O ATOM 9332 H1 TIP3 2205 20.846 16.017 -16.228 1.00 0.00 WT1 H ATOM 9333 H2 TIP3 2205 21.487 17.045 -17.136 1.00 0.00 WT1 H ATOM 9334 OH2 TIP3 2206 37.543 88.820 58.986 1.00 0.00 WT1 O ATOM 9335 H1 TIP3 2206 37.354 88.299 59.767 1.00 0.00 WT1 H ATOM 9336 H2 TIP3 2206 36.964 88.463 58.313 1.00 0.00 WT1 H ATOM 9337 OH2 TIP3 2207 80.453 33.305 -0.508 1.00 0.00 WT1 O ATOM 9338 H1 TIP3 2207 81.225 33.500 0.023 1.00 0.00 WT1 H ATOM 9339 H2 TIP3 2207 79.952 32.682 0.017 1.00 0.00 WT1 H ATOM 9340 OH2 TIP3 2208 81.586 53.688 53.109 1.00 0.00 WT1 O ATOM 9341 H1 TIP3 2208 81.071 53.585 52.309 1.00 0.00 WT1 H ATOM 9342 H2 TIP3 2208 82.365 54.172 52.833 1.00 0.00 WT1 H ATOM 9343 OH2 TIP3 2209 89.871 66.671 51.952 1.00 0.00 WT1 O ATOM 9344 H1 TIP3 2209 90.141 66.845 51.050 1.00 0.00 WT1 H ATOM 9345 H2 TIP3 2209 89.127 66.074 51.870 1.00 0.00 WT1 H ATOM 9346 OH2 TIP3 2210 34.602 91.940 4.877 1.00 0.00 WT1 O ATOM 9347 H1 TIP3 2210 34.947 91.795 5.758 1.00 0.00 WT1 H ATOM 9348 H2 TIP3 2210 33.747 92.348 5.018 1.00 0.00 WT1 H ATOM 9349 OH2 TIP3 2211 84.200 9.052 6.978 1.00 0.00 WT1 O ATOM 9350 H1 TIP3 2211 84.438 8.429 6.292 1.00 0.00 WT1 H ATOM 9351 H2 TIP3 2211 84.370 9.911 6.592 1.00 0.00 WT1 H ATOM 9352 OH2 TIP3 2213 88.455 45.812 -5.598 1.00 0.00 WT1 O ATOM 9353 H1 TIP3 2213 88.036 46.301 -4.890 1.00 0.00 WT1 H ATOM 9354 H2 TIP3 2213 89.392 45.888 -5.420 1.00 0.00 WT1 H ATOM 9355 OH2 TIP3 2214 32.135 18.933 33.505 1.00 0.00 WT1 O ATOM 9356 H1 TIP3 2214 31.188 18.805 33.545 1.00 0.00 WT1 H ATOM 9357 H2 TIP3 2214 32.273 19.464 32.721 1.00 0.00 WT1 H ATOM 9358 OH2 TIP3 2215 88.132 27.025 -0.557 1.00 0.00 WT1 O ATOM 9359 H1 TIP3 2215 88.576 27.174 -1.392 1.00 0.00 WT1 H ATOM 9360 H2 TIP3 2215 88.313 27.813 -0.045 1.00 0.00 WT1 H ATOM 9361 OH2 TIP3 2216 37.202 62.877 8.671 1.00 0.00 WT1 O ATOM 9362 H1 TIP3 2216 37.849 63.426 9.114 1.00 0.00 WT1 H ATOM 9363 H2 TIP3 2216 37.670 62.065 8.475 1.00 0.00 WT1 H ATOM 9364 OH2 TIP3 2217 41.453 17.360 56.139 1.00 0.00 WT1 O ATOM 9365 H1 TIP3 2217 41.036 17.988 55.548 1.00 0.00 WT1 H ATOM 9366 H2 TIP3 2217 42.035 17.891 56.682 1.00 0.00 WT1 H ATOM 9367 OH2 TIP3 2218 56.697 93.328 -12.531 1.00 0.00 WT1 O ATOM 9368 H1 TIP3 2218 56.034 92.639 -12.573 1.00 0.00 WT1 H ATOM 9369 H2 TIP3 2218 57.267 93.160 -13.281 1.00 0.00 WT1 H ATOM 9370 OH2 TIP3 2219 53.683 18.638 28.005 1.00 0.00 WT1 O ATOM 9371 H1 TIP3 2219 53.057 19.331 27.796 1.00 0.00 WT1 H ATOM 9372 H2 TIP3 2219 54.186 18.517 27.199 1.00 0.00 WT1 H ATOM 9373 OH2 TIP3 2220 20.612 16.900 64.098 1.00 0.00 WT1 O ATOM 9374 H1 TIP3 2220 20.915 17.168 64.965 1.00 0.00 WT1 H ATOM 9375 H2 TIP3 2220 19.657 16.929 64.159 1.00 0.00 WT1 H ATOM 9376 OH2 TIP3 2221 24.102 74.014 40.896 1.00 0.00 WT1 O ATOM 9377 H1 TIP3 2221 24.848 73.421 40.985 1.00 0.00 WT1 H ATOM 9378 H2 TIP3 2221 23.435 73.649 41.478 1.00 0.00 WT1 H ATOM 9379 OH2 TIP3 2223 46.280 49.512 7.415 1.00 0.00 WT1 O ATOM 9380 H1 TIP3 2223 46.119 49.429 8.355 1.00 0.00 WT1 H ATOM 9381 H2 TIP3 2223 47.149 49.909 7.355 1.00 0.00 WT1 H ATOM 9382 OH2 TIP3 2224 28.824 2.491 29.688 1.00 0.00 WT1 O ATOM 9383 H1 TIP3 2224 28.120 2.311 30.312 1.00 0.00 WT1 H ATOM 9384 H2 TIP3 2224 28.880 1.697 29.156 1.00 0.00 WT1 H ATOM 9385 OH2 TIP3 2225 85.309 90.360 6.436 1.00 0.00 WT1 O ATOM 9386 H1 TIP3 2225 85.998 89.776 6.755 1.00 0.00 WT1 H ATOM 9387 H2 TIP3 2225 84.852 89.849 5.768 1.00 0.00 WT1 H ATOM 9388 OH2 TIP3 2226 48.615 6.956 37.446 1.00 0.00 WT1 O ATOM 9389 H1 TIP3 2226 48.607 7.272 36.542 1.00 0.00 WT1 H ATOM 9390 H2 TIP3 2226 49.496 7.157 37.763 1.00 0.00 WT1 H ATOM 9391 OH2 TIP3 2227 63.378 84.715 -11.359 1.00 0.00 WT1 O ATOM 9392 H1 TIP3 2227 63.907 84.427 -10.615 1.00 0.00 WT1 H ATOM 9393 H2 TIP3 2227 63.599 84.103 -12.061 1.00 0.00 WT1 H ATOM 9394 OH2 TIP3 2228 75.240 15.639 3.273 1.00 0.00 WT1 O ATOM 9395 H1 TIP3 2228 75.729 16.424 3.517 1.00 0.00 WT1 H ATOM 9396 H2 TIP3 2228 74.450 15.671 3.813 1.00 0.00 WT1 H ATOM 9397 OH2 TIP3 2229 75.889 85.544 7.037 1.00 0.00 WT1 O ATOM 9398 H1 TIP3 2229 76.441 85.705 7.803 1.00 0.00 WT1 H ATOM 9399 H2 TIP3 2229 76.474 85.127 6.404 1.00 0.00 WT1 H ATOM 9400 OH2 TIP3 2231 48.206 87.331 -19.290 1.00 0.00 WT1 O ATOM 9401 H1 TIP3 2231 47.771 86.485 -19.393 1.00 0.00 WT1 H ATOM 9402 H2 TIP3 2231 48.053 87.782 -20.120 1.00 0.00 WT1 H ATOM 9403 OH2 TIP3 2232 40.921 12.385 52.948 1.00 0.00 WT1 O ATOM 9404 H1 TIP3 2232 40.770 13.280 53.253 1.00 0.00 WT1 H ATOM 9405 H2 TIP3 2232 41.449 11.982 53.638 1.00 0.00 WT1 H ATOM 9406 OH2 TIP3 2233 54.914 83.081 29.114 1.00 0.00 WT1 O ATOM 9407 H1 TIP3 2233 55.336 83.664 28.483 1.00 0.00 WT1 H ATOM 9408 H2 TIP3 2233 53.978 83.183 28.947 1.00 0.00 WT1 H ATOM 9409 OH2 TIP3 2234 81.682 8.362 -2.944 1.00 0.00 WT1 O ATOM 9410 H1 TIP3 2234 81.644 9.222 -3.362 1.00 0.00 WT1 H ATOM 9411 H2 TIP3 2234 82.588 8.078 -3.062 1.00 0.00 WT1 H ATOM 9412 OH2 TIP3 2235 84.439 92.583 45.607 1.00 0.00 WT1 O ATOM 9413 H1 TIP3 2235 84.849 92.984 46.373 1.00 0.00 WT1 H ATOM 9414 H2 TIP3 2235 83.798 93.229 45.312 1.00 0.00 WT1 H ATOM 9415 OH2 TIP3 2236 23.014 14.170 65.078 1.00 0.00 WT1 O ATOM 9416 H1 TIP3 2236 23.816 13.651 65.123 1.00 0.00 WT1 H ATOM 9417 H2 TIP3 2236 22.327 13.578 65.385 1.00 0.00 WT1 H ATOM 9418 OH2 TIP3 2237 59.315 3.529 -15.043 1.00 0.00 WT1 O ATOM 9419 H1 TIP3 2237 59.303 2.878 -15.744 1.00 0.00 WT1 H ATOM 9420 H2 TIP3 2237 58.444 3.475 -14.650 1.00 0.00 WT1 H ATOM 9421 OH2 TIP3 2238 34.168 3.197 56.959 1.00 0.00 WT1 O ATOM 9422 H1 TIP3 2238 34.484 4.080 57.154 1.00 0.00 WT1 H ATOM 9423 H2 TIP3 2238 33.347 3.124 57.446 1.00 0.00 WT1 H ATOM 9424 OH2 TIP3 2240 69.045 71.145 -6.325 1.00 0.00 WT1 O ATOM 9425 H1 TIP3 2240 68.203 70.695 -6.400 1.00 0.00 WT1 H ATOM 9426 H2 TIP3 2240 68.929 71.750 -5.593 1.00 0.00 WT1 H ATOM 9427 OH2 TIP3 2241 85.817 81.084 31.356 1.00 0.00 WT1 O ATOM 9428 H1 TIP3 2241 85.428 80.261 31.653 1.00 0.00 WT1 H ATOM 9429 H2 TIP3 2241 85.581 81.140 30.430 1.00 0.00 WT1 H ATOM 9430 OH2 TIP3 2242 66.751 36.840 7.646 1.00 0.00 WT1 O ATOM 9431 H1 TIP3 2242 66.646 37.677 8.098 1.00 0.00 WT1 H ATOM 9432 H2 TIP3 2242 66.324 36.969 6.799 1.00 0.00 WT1 H ATOM 9433 OH2 TIP3 2243 40.760 0.628 61.779 1.00 0.00 WT1 O ATOM 9434 H1 TIP3 2243 40.436 -0.090 62.322 1.00 0.00 WT1 H ATOM 9435 H2 TIP3 2243 40.260 1.392 62.068 1.00 0.00 WT1 H ATOM 9436 OH2 TIP3 2244 86.395 4.332 8.166 1.00 0.00 WT1 O ATOM 9437 H1 TIP3 2244 87.333 4.330 8.358 1.00 0.00 WT1 H ATOM 9438 H2 TIP3 2244 86.005 3.812 8.868 1.00 0.00 WT1 H ATOM 9439 OH2 TIP3 2245 54.408 14.518 -18.598 1.00 0.00 WT1 O ATOM 9440 H1 TIP3 2245 54.028 15.184 -19.170 1.00 0.00 WT1 H ATOM 9441 H2 TIP3 2245 53.922 13.719 -18.803 1.00 0.00 WT1 H ATOM 9442 OH2 TIP3 2246 34.507 46.085 39.965 1.00 0.00 WT1 O ATOM 9443 H1 TIP3 2246 34.249 45.546 40.713 1.00 0.00 WT1 H ATOM 9444 H2 TIP3 2246 33.743 46.075 39.388 1.00 0.00 WT1 H ATOM 9445 OH2 TIP3 2247 61.656 74.205 -1.436 1.00 0.00 WT1 O ATOM 9446 H1 TIP3 2247 62.036 74.738 -0.738 1.00 0.00 WT1 H ATOM 9447 H2 TIP3 2247 60.719 74.184 -1.239 1.00 0.00 WT1 H ATOM 9448 OH2 TIP3 2248 87.633 90.797 -0.185 1.00 0.00 WT1 O ATOM 9449 H1 TIP3 2248 88.316 90.452 0.391 1.00 0.00 WT1 H ATOM 9450 H2 TIP3 2248 86.856 90.854 0.372 1.00 0.00 WT1 H ATOM 9451 OH2 TIP3 2249 50.534 82.134 -18.923 1.00 0.00 WT1 O ATOM 9452 H1 TIP3 2249 50.215 82.084 -18.022 1.00 0.00 WT1 H ATOM 9453 H2 TIP3 2249 50.895 83.017 -19.001 1.00 0.00 WT1 H ATOM 9454 OH2 TIP3 2250 60.174 75.490 -16.589 1.00 0.00 WT1 O ATOM 9455 H1 TIP3 2250 59.912 75.879 -15.755 1.00 0.00 WT1 H ATOM 9456 H2 TIP3 2250 59.834 74.596 -16.554 1.00 0.00 WT1 H ATOM 9457 OH2 TIP3 2251 27.383 5.814 30.697 1.00 0.00 WT1 O ATOM 9458 H1 TIP3 2251 27.081 5.308 29.942 1.00 0.00 WT1 H ATOM 9459 H2 TIP3 2251 28.201 6.216 30.404 1.00 0.00 WT1 H ATOM 9460 OH2 TIP3 2252 35.372 36.334 65.546 1.00 0.00 WT1 O ATOM 9461 H1 TIP3 2252 36.131 36.075 65.024 1.00 0.00 WT1 H ATOM 9462 H2 TIP3 2252 35.092 35.528 65.979 1.00 0.00 WT1 H ATOM 9463 OH2 TIP3 2253 59.817 54.753 25.869 1.00 0.00 WT1 O ATOM 9464 H1 TIP3 2253 58.921 54.975 26.120 1.00 0.00 WT1 H ATOM 9465 H2 TIP3 2253 59.954 55.210 25.039 1.00 0.00 WT1 H ATOM 9466 OH2 TIP3 2254 87.226 0.616 62.132 1.00 0.00 WT1 O ATOM 9467 H1 TIP3 2254 87.600 0.622 63.013 1.00 0.00 WT1 H ATOM 9468 H2 TIP3 2254 87.080 -0.310 61.939 1.00 0.00 WT1 H ATOM 9469 OH2 TIP3 2255 44.060 38.155 -0.452 1.00 0.00 WT1 O ATOM 9470 H1 TIP3 2255 44.206 38.479 0.437 1.00 0.00 WT1 H ATOM 9471 H2 TIP3 2255 44.232 38.911 -1.014 1.00 0.00 WT1 H ATOM 9472 OH2 TIP3 2256 86.041 77.373 55.316 1.00 0.00 WT1 O ATOM 9473 H1 TIP3 2256 86.312 78.084 54.735 1.00 0.00 WT1 H ATOM 9474 H2 TIP3 2256 85.296 77.730 55.801 1.00 0.00 WT1 H ATOM 9475 OH2 TIP3 2257 47.098 78.438 -2.759 1.00 0.00 WT1 O ATOM 9476 H1 TIP3 2257 47.090 77.881 -3.537 1.00 0.00 WT1 H ATOM 9477 H2 TIP3 2257 47.656 77.972 -2.136 1.00 0.00 WT1 H ATOM 9478 OH2 TIP3 2258 66.035 68.181 -8.751 1.00 0.00 WT1 O ATOM 9479 H1 TIP3 2258 66.897 67.831 -8.975 1.00 0.00 WT1 H ATOM 9480 H2 TIP3 2258 65.506 67.407 -8.555 1.00 0.00 WT1 H ATOM 9481 OH2 TIP3 2259 24.949 89.897 36.726 1.00 0.00 WT1 O ATOM 9482 H1 TIP3 2259 25.588 90.475 36.309 1.00 0.00 WT1 H ATOM 9483 H2 TIP3 2259 25.390 89.049 36.779 1.00 0.00 WT1 H ATOM 9484 OH2 TIP3 2260 31.429 41.381 4.144 1.00 0.00 WT1 O ATOM 9485 H1 TIP3 2260 32.175 41.532 3.563 1.00 0.00 WT1 H ATOM 9486 H2 TIP3 2260 31.038 42.247 4.261 1.00 0.00 WT1 H ATOM 9487 OH2 TIP3 2261 54.620 73.767 38.543 1.00 0.00 WT1 O ATOM 9488 H1 TIP3 2261 54.729 74.494 37.930 1.00 0.00 WT1 H ATOM 9489 H2 TIP3 2261 53.804 73.345 38.273 1.00 0.00 WT1 H ATOM 9490 OH2 TIP3 2263 64.795 20.487 45.128 1.00 0.00 WT1 O ATOM 9491 H1 TIP3 2263 64.880 21.439 45.082 1.00 0.00 WT1 H ATOM 9492 H2 TIP3 2263 64.444 20.236 44.274 1.00 0.00 WT1 H ATOM 9493 OH2 TIP3 2264 71.327 70.237 46.926 1.00 0.00 WT1 O ATOM 9494 H1 TIP3 2264 71.444 70.822 46.177 1.00 0.00 WT1 H ATOM 9495 H2 TIP3 2264 72.211 70.107 47.269 1.00 0.00 WT1 H ATOM 9496 OH2 TIP3 2265 62.739 7.865 -10.499 1.00 0.00 WT1 O ATOM 9497 H1 TIP3 2265 62.893 8.321 -9.671 1.00 0.00 WT1 H ATOM 9498 H2 TIP3 2265 61.813 8.019 -10.688 1.00 0.00 WT1 H ATOM 9499 OH2 TIP3 2266 41.212 93.337 -13.609 1.00 0.00 WT1 O ATOM 9500 H1 TIP3 2266 40.642 93.916 -14.115 1.00 0.00 WT1 H ATOM 9501 H2 TIP3 2266 42.090 93.694 -13.737 1.00 0.00 WT1 H ATOM 9502 OH2 TIP3 2267 30.665 69.766 35.870 1.00 0.00 WT1 O ATOM 9503 H1 TIP3 2267 31.309 69.621 35.177 1.00 0.00 WT1 H ATOM 9504 H2 TIP3 2267 29.819 69.714 35.425 1.00 0.00 WT1 H ATOM 9505 OH2 TIP3 2268 79.537 50.126 49.417 1.00 0.00 WT1 O ATOM 9506 H1 TIP3 2268 79.473 50.921 48.888 1.00 0.00 WT1 H ATOM 9507 H2 TIP3 2268 80.309 49.673 49.076 1.00 0.00 WT1 H ATOM 9508 OH2 TIP3 2269 79.002 21.439 35.078 1.00 0.00 WT1 O ATOM 9509 H1 TIP3 2269 79.899 21.117 34.985 1.00 0.00 WT1 H ATOM 9510 H2 TIP3 2269 78.796 21.824 34.226 1.00 0.00 WT1 H ATOM 9511 OH2 TIP3 2270 56.117 14.859 -14.251 1.00 0.00 WT1 O ATOM 9512 H1 TIP3 2270 55.486 14.271 -14.666 1.00 0.00 WT1 H ATOM 9513 H2 TIP3 2270 56.695 15.132 -14.963 1.00 0.00 WT1 H ATOM 9514 OH2 TIP3 2271 61.255 1.705 51.814 1.00 0.00 WT1 O ATOM 9515 H1 TIP3 2271 60.663 1.149 52.321 1.00 0.00 WT1 H ATOM 9516 H2 TIP3 2271 61.648 2.290 52.462 1.00 0.00 WT1 H ATOM 9517 OH2 TIP3 2272 64.365 38.518 32.000 1.00 0.00 WT1 O ATOM 9518 H1 TIP3 2272 63.564 39.032 31.895 1.00 0.00 WT1 H ATOM 9519 H2 TIP3 2272 64.859 38.979 32.678 1.00 0.00 WT1 H ATOM 9520 OH2 TIP3 2273 80.709 83.697 65.828 1.00 0.00 WT1 O ATOM 9521 H1 TIP3 2273 79.802 83.999 65.867 1.00 0.00 WT1 H ATOM 9522 H2 TIP3 2273 81.228 84.465 66.066 1.00 0.00 WT1 H ATOM 9523 OH2 TIP3 2274 81.390 43.870 42.092 1.00 0.00 WT1 O ATOM 9524 H1 TIP3 2274 80.455 43.954 42.276 1.00 0.00 WT1 H ATOM 9525 H2 TIP3 2274 81.726 44.765 42.142 1.00 0.00 WT1 H ATOM 9526 OH2 TIP3 2275 38.394 15.948 1.169 1.00 0.00 WT1 O ATOM 9527 H1 TIP3 2275 38.911 16.751 1.106 1.00 0.00 WT1 H ATOM 9528 H2 TIP3 2275 37.835 15.962 0.392 1.00 0.00 WT1 H ATOM 9529 OH2 TIP3 2276 53.264 31.145 58.418 1.00 0.00 WT1 O ATOM 9530 H1 TIP3 2276 53.138 31.277 57.478 1.00 0.00 WT1 H ATOM 9531 H2 TIP3 2276 52.402 31.309 58.801 1.00 0.00 WT1 H ATOM 9532 OH2 TIP3 2277 68.292 9.203 -12.135 1.00 0.00 WT1 O ATOM 9533 H1 TIP3 2277 68.495 9.467 -13.033 1.00 0.00 WT1 H ATOM 9534 H2 TIP3 2277 68.986 9.597 -11.607 1.00 0.00 WT1 H ATOM 9535 OH2 TIP3 2278 64.865 7.129 11.746 1.00 0.00 WT1 O ATOM 9536 H1 TIP3 2278 65.168 6.272 11.446 1.00 0.00 WT1 H ATOM 9537 H2 TIP3 2278 64.335 7.464 11.022 1.00 0.00 WT1 H ATOM 9538 OH2 TIP3 2279 25.594 20.007 20.006 1.00 0.00 WT1 O ATOM 9539 H1 TIP3 2279 25.200 19.560 20.755 1.00 0.00 WT1 H ATOM 9540 H2 TIP3 2279 26.258 20.580 20.389 1.00 0.00 WT1 H ATOM 9541 OH2 TIP3 2280 38.094 20.979 10.935 1.00 0.00 WT1 O ATOM 9542 H1 TIP3 2280 38.531 21.823 10.818 1.00 0.00 WT1 H ATOM 9543 H2 TIP3 2280 38.470 20.624 11.740 1.00 0.00 WT1 H ATOM 9544 OH2 TIP3 2281 71.430 29.693 49.138 1.00 0.00 WT1 O ATOM 9545 H1 TIP3 2281 70.831 30.044 48.479 1.00 0.00 WT1 H ATOM 9546 H2 TIP3 2281 71.919 29.011 48.677 1.00 0.00 WT1 H ATOM 9547 OH2 TIP3 2282 56.159 43.683 47.593 1.00 0.00 WT1 O ATOM 9548 H1 TIP3 2282 56.634 42.855 47.673 1.00 0.00 WT1 H ATOM 9549 H2 TIP3 2282 56.289 43.947 46.682 1.00 0.00 WT1 H ATOM 9550 OH2 TIP3 2283 36.630 23.304 8.374 1.00 0.00 WT1 O ATOM 9551 H1 TIP3 2283 36.775 23.989 9.027 1.00 0.00 WT1 H ATOM 9552 H2 TIP3 2283 35.945 22.753 8.752 1.00 0.00 WT1 H ATOM 9553 OH2 TIP3 2284 60.000 12.679 -19.195 1.00 0.00 WT1 O ATOM 9554 H1 TIP3 2284 59.601 13.312 -18.598 1.00 0.00 WT1 H ATOM 9555 H2 TIP3 2284 60.508 13.213 -19.805 1.00 0.00 WT1 H ATOM 9556 OH2 TIP3 2285 54.065 64.185 57.643 1.00 0.00 WT1 O ATOM 9557 H1 TIP3 2285 54.780 64.496 57.089 1.00 0.00 WT1 H ATOM 9558 H2 TIP3 2285 54.500 63.801 58.404 1.00 0.00 WT1 H ATOM 9559 OH2 TIP3 2286 66.718 34.515 0.489 1.00 0.00 WT1 O ATOM 9560 H1 TIP3 2286 66.889 35.238 1.093 1.00 0.00 WT1 H ATOM 9561 H2 TIP3 2286 66.306 34.929 -0.270 1.00 0.00 WT1 H ATOM 9562 OH2 TIP3 2287 56.536 26.500 -17.888 1.00 0.00 WT1 O ATOM 9563 H1 TIP3 2287 55.656 26.823 -18.080 1.00 0.00 WT1 H ATOM 9564 H2 TIP3 2287 57.117 27.073 -18.389 1.00 0.00 WT1 H ATOM 9565 OH2 TIP3 2288 38.245 78.235 6.972 1.00 0.00 WT1 O ATOM 9566 H1 TIP3 2288 38.459 77.312 6.833 1.00 0.00 WT1 H ATOM 9567 H2 TIP3 2288 39.049 78.704 6.750 1.00 0.00 WT1 H ATOM 9568 OH2 TIP3 2289 68.565 20.189 34.716 1.00 0.00 WT1 O ATOM 9569 H1 TIP3 2289 69.425 19.770 34.675 1.00 0.00 WT1 H ATOM 9570 H2 TIP3 2289 68.254 20.187 33.810 1.00 0.00 WT1 H ATOM 9571 OH2 TIP3 2290 46.058 40.329 -16.959 1.00 0.00 WT1 O ATOM 9572 H1 TIP3 2290 45.371 40.642 -16.369 1.00 0.00 WT1 H ATOM 9573 H2 TIP3 2290 46.872 40.644 -16.566 1.00 0.00 WT1 H ATOM 9574 OH2 TIP3 2291 82.477 62.862 21.200 1.00 0.00 WT1 O ATOM 9575 H1 TIP3 2291 81.665 62.663 21.666 1.00 0.00 WT1 H ATOM 9576 H2 TIP3 2291 82.284 63.661 20.710 1.00 0.00 WT1 H ATOM 9577 OH2 TIP3 2292 38.570 1.859 3.392 1.00 0.00 WT1 O ATOM 9578 H1 TIP3 2292 39.119 2.595 3.661 1.00 0.00 WT1 H ATOM 9579 H2 TIP3 2292 38.631 1.236 4.117 1.00 0.00 WT1 H ATOM 9580 OH2 TIP3 2293 85.234 32.715 38.848 1.00 0.00 WT1 O ATOM 9581 H1 TIP3 2293 84.706 33.348 38.362 1.00 0.00 WT1 H ATOM 9582 H2 TIP3 2293 86.116 33.085 38.846 1.00 0.00 WT1 H ATOM 9583 OH2 TIP3 2294 76.553 23.751 23.989 1.00 0.00 WT1 O ATOM 9584 H1 TIP3 2294 76.743 24.688 23.948 1.00 0.00 WT1 H ATOM 9585 H2 TIP3 2294 77.364 23.329 23.706 1.00 0.00 WT1 H ATOM 9586 OH2 TIP3 2295 88.475 86.328 5.976 1.00 0.00 WT1 O ATOM 9587 H1 TIP3 2295 88.004 87.161 5.942 1.00 0.00 WT1 H ATOM 9588 H2 TIP3 2295 88.097 85.870 6.727 1.00 0.00 WT1 H ATOM 9589 OH2 TIP3 2296 55.523 37.118 4.835 1.00 0.00 WT1 O ATOM 9590 H1 TIP3 2296 56.032 37.910 4.660 1.00 0.00 WT1 H ATOM 9591 H2 TIP3 2296 55.561 37.013 5.786 1.00 0.00 WT1 H ATOM 9592 OH2 TIP3 2298 39.208 44.372 15.788 1.00 0.00 WT1 O ATOM 9593 H1 TIP3 2298 39.166 45.027 15.092 1.00 0.00 WT1 H ATOM 9594 H2 TIP3 2298 39.645 44.819 16.513 1.00 0.00 WT1 H ATOM 9595 OH2 TIP3 2299 48.733 39.117 -3.662 1.00 0.00 WT1 O ATOM 9596 H1 TIP3 2299 48.946 39.780 -4.319 1.00 0.00 WT1 H ATOM 9597 H2 TIP3 2299 47.966 39.467 -3.209 1.00 0.00 WT1 H ATOM 9598 OH2 TIP3 2300 26.302 48.247 16.879 1.00 0.00 WT1 O ATOM 9599 H1 TIP3 2300 26.858 47.568 16.497 1.00 0.00 WT1 H ATOM 9600 H2 TIP3 2300 25.958 48.727 16.125 1.00 0.00 WT1 H ATOM 9601 OH2 TIP3 2301 61.046 17.785 -4.551 1.00 0.00 WT1 O ATOM 9602 H1 TIP3 2301 60.698 16.943 -4.842 1.00 0.00 WT1 H ATOM 9603 H2 TIP3 2301 61.458 17.596 -3.707 1.00 0.00 WT1 H ATOM 9604 OH2 TIP3 2302 77.109 3.100 3.313 1.00 0.00 WT1 O ATOM 9605 H1 TIP3 2302 76.832 2.194 3.174 1.00 0.00 WT1 H ATOM 9606 H2 TIP3 2302 76.987 3.246 4.251 1.00 0.00 WT1 H ATOM 9607 OH2 TIP3 2303 32.640 83.507 38.526 1.00 0.00 WT1 O ATOM 9608 H1 TIP3 2303 32.197 83.463 39.374 1.00 0.00 WT1 H ATOM 9609 H2 TIP3 2303 33.062 82.653 38.431 1.00 0.00 WT1 H ATOM 9610 OH2 TIP3 2305 27.368 32.545 30.859 1.00 0.00 WT1 O ATOM 9611 H1 TIP3 2305 27.175 31.619 30.709 1.00 0.00 WT1 H ATOM 9612 H2 TIP3 2305 26.536 32.920 31.148 1.00 0.00 WT1 H ATOM 9613 OH2 TIP3 2306 63.432 14.257 -13.001 1.00 0.00 WT1 O ATOM 9614 H1 TIP3 2306 63.981 15.037 -12.916 1.00 0.00 WT1 H ATOM 9615 H2 TIP3 2306 62.949 14.213 -12.176 1.00 0.00 WT1 H ATOM 9616 OH2 TIP3 2307 59.854 8.705 -15.534 1.00 0.00 WT1 O ATOM 9617 H1 TIP3 2307 60.530 9.354 -15.343 1.00 0.00 WT1 H ATOM 9618 H2 TIP3 2307 59.846 8.133 -14.766 1.00 0.00 WT1 H ATOM 9619 OH2 TIP3 2308 54.128 12.274 -1.834 1.00 0.00 WT1 O ATOM 9620 H1 TIP3 2308 54.481 12.837 -2.523 1.00 0.00 WT1 H ATOM 9621 H2 TIP3 2308 54.782 11.582 -1.730 1.00 0.00 WT1 H ATOM 9622 OH2 TIP3 2309 37.494 83.834 36.701 1.00 0.00 WT1 O ATOM 9623 H1 TIP3 2309 37.457 82.883 36.809 1.00 0.00 WT1 H ATOM 9624 H2 TIP3 2309 37.087 83.995 35.850 1.00 0.00 WT1 H ATOM 9625 OH2 TIP3 2310 83.125 34.670 -2.933 1.00 0.00 WT1 O ATOM 9626 H1 TIP3 2310 83.793 35.110 -3.459 1.00 0.00 WT1 H ATOM 9627 H2 TIP3 2310 83.222 35.046 -2.058 1.00 0.00 WT1 H ATOM 9628 OH2 TIP3 2311 53.258 52.266 63.196 1.00 0.00 WT1 O ATOM 9629 H1 TIP3 2311 53.291 52.117 64.141 1.00 0.00 WT1 H ATOM 9630 H2 TIP3 2311 54.170 52.205 62.912 1.00 0.00 WT1 H ATOM 9631 OH2 TIP3 2313 83.603 72.542 49.282 1.00 0.00 WT1 O ATOM 9632 H1 TIP3 2313 83.816 71.833 49.889 1.00 0.00 WT1 H ATOM 9633 H2 TIP3 2313 83.942 72.245 48.438 1.00 0.00 WT1 H ATOM 9634 OH2 TIP3 2314 44.880 30.216 32.492 1.00 0.00 WT1 O ATOM 9635 H1 TIP3 2314 45.238 29.462 32.961 1.00 0.00 WT1 H ATOM 9636 H2 TIP3 2314 44.092 29.880 32.064 1.00 0.00 WT1 H ATOM 9637 OH2 TIP3 2315 72.193 5.470 39.263 1.00 0.00 WT1 O ATOM 9638 H1 TIP3 2315 72.996 5.986 39.335 1.00 0.00 WT1 H ATOM 9639 H2 TIP3 2315 71.837 5.457 40.152 1.00 0.00 WT1 H ATOM 9640 OH2 TIP3 2316 34.250 11.318 59.844 1.00 0.00 WT1 O ATOM 9641 H1 TIP3 2316 33.729 12.085 59.607 1.00 0.00 WT1 H ATOM 9642 H2 TIP3 2316 35.064 11.679 60.195 1.00 0.00 WT1 H ATOM 9643 OH2 TIP3 2317 62.782 83.470 25.179 1.00 0.00 WT1 O ATOM 9644 H1 TIP3 2317 62.100 83.034 24.668 1.00 0.00 WT1 H ATOM 9645 H2 TIP3 2317 63.602 83.109 24.841 1.00 0.00 WT1 H ATOM 9646 OH2 TIP3 2318 25.620 72.718 63.984 1.00 0.00 WT1 O ATOM 9647 H1 TIP3 2318 25.902 72.337 63.152 1.00 0.00 WT1 H ATOM 9648 H2 TIP3 2318 25.976 73.607 63.973 1.00 0.00 WT1 H ATOM 9649 OH2 TIP3 2319 88.208 90.014 39.722 1.00 0.00 WT1 O ATOM 9650 H1 TIP3 2319 87.463 89.474 39.457 1.00 0.00 WT1 H ATOM 9651 H2 TIP3 2319 88.937 89.692 39.192 1.00 0.00 WT1 H ATOM 9652 OH2 TIP3 2320 58.754 60.359 -18.616 1.00 0.00 WT1 O ATOM 9653 H1 TIP3 2320 57.963 59.963 -18.250 1.00 0.00 WT1 H ATOM 9654 H2 TIP3 2320 59.220 60.710 -17.857 1.00 0.00 WT1 H ATOM 9655 OH2 TIP3 2321 58.749 50.645 36.556 1.00 0.00 WT1 O ATOM 9656 H1 TIP3 2321 58.370 51.508 36.723 1.00 0.00 WT1 H ATOM 9657 H2 TIP3 2321 58.881 50.620 35.609 1.00 0.00 WT1 H ATOM 9658 OH2 TIP3 2322 71.967 42.133 64.623 1.00 0.00 WT1 O ATOM 9659 H1 TIP3 2322 71.837 43.048 64.872 1.00 0.00 WT1 H ATOM 9660 H2 TIP3 2322 72.536 41.777 65.304 1.00 0.00 WT1 H ATOM 9661 OH2 TIP3 2323 48.492 62.494 -9.531 1.00 0.00 WT1 O ATOM 9662 H1 TIP3 2323 47.732 62.816 -9.047 1.00 0.00 WT1 H ATOM 9663 H2 TIP3 2323 48.881 61.835 -8.957 1.00 0.00 WT1 H ATOM 9664 OH2 TIP3 2324 28.882 0.854 33.156 1.00 0.00 WT1 O ATOM 9665 H1 TIP3 2324 28.328 1.498 32.715 1.00 0.00 WT1 H ATOM 9666 H2 TIP3 2324 28.273 0.333 33.680 1.00 0.00 WT1 H ATOM 9667 OH2 TIP3 2326 45.467 74.726 -4.570 1.00 0.00 WT1 O ATOM 9668 H1 TIP3 2326 44.902 74.036 -4.917 1.00 0.00 WT1 H ATOM 9669 H2 TIP3 2326 45.734 74.406 -3.708 1.00 0.00 WT1 H ATOM 9670 OH2 TIP3 2327 64.236 2.472 41.328 1.00 0.00 WT1 O ATOM 9671 H1 TIP3 2327 64.006 1.566 41.535 1.00 0.00 WT1 H ATOM 9672 H2 TIP3 2327 63.890 2.981 42.060 1.00 0.00 WT1 H ATOM 9673 OH2 TIP3 2329 43.800 77.713 46.174 1.00 0.00 WT1 O ATOM 9674 H1 TIP3 2329 43.908 78.662 46.104 1.00 0.00 WT1 H ATOM 9675 H2 TIP3 2329 43.021 77.521 45.653 1.00 0.00 WT1 H ATOM 9676 OH2 TIP3 2330 75.864 20.746 -10.496 1.00 0.00 WT1 O ATOM 9677 H1 TIP3 2330 75.086 20.923 -9.967 1.00 0.00 WT1 H ATOM 9678 H2 TIP3 2330 76.494 20.374 -9.878 1.00 0.00 WT1 H ATOM 9679 OH2 TIP3 2331 40.761 85.767 62.250 1.00 0.00 WT1 O ATOM 9680 H1 TIP3 2331 40.746 86.081 61.346 1.00 0.00 WT1 H ATOM 9681 H2 TIP3 2331 39.849 85.548 62.443 1.00 0.00 WT1 H ATOM 9682 OH2 TIP3 2332 54.215 30.494 65.445 1.00 0.00 WT1 O ATOM 9683 H1 TIP3 2332 53.282 30.388 65.631 1.00 0.00 WT1 H ATOM 9684 H2 TIP3 2332 54.252 30.689 64.509 1.00 0.00 WT1 H ATOM 9685 OH2 TIP3 2333 54.525 47.607 63.408 1.00 0.00 WT1 O ATOM 9686 H1 TIP3 2333 54.448 46.736 63.799 1.00 0.00 WT1 H ATOM 9687 H2 TIP3 2333 53.670 48.012 63.555 1.00 0.00 WT1 H ATOM 9688 OH2 TIP3 2334 63.939 6.813 60.946 1.00 0.00 WT1 O ATOM 9689 H1 TIP3 2334 64.264 7.609 61.367 1.00 0.00 WT1 H ATOM 9690 H2 TIP3 2334 63.533 7.119 60.135 1.00 0.00 WT1 H ATOM 9691 OH2 TIP3 2335 28.435 26.079 -4.266 1.00 0.00 WT1 O ATOM 9692 H1 TIP3 2335 28.314 26.972 -3.944 1.00 0.00 WT1 H ATOM 9693 H2 TIP3 2335 28.562 26.179 -5.209 1.00 0.00 WT1 H ATOM 9694 OH2 TIP3 2336 53.090 16.810 47.520 1.00 0.00 WT1 O ATOM 9695 H1 TIP3 2336 53.490 16.119 46.993 1.00 0.00 WT1 H ATOM 9696 H2 TIP3 2336 52.791 16.365 48.313 1.00 0.00 WT1 H ATOM 9697 OH2 TIP3 2337 52.028 43.963 21.031 1.00 0.00 WT1 O ATOM 9698 H1 TIP3 2337 52.801 44.421 21.360 1.00 0.00 WT1 H ATOM 9699 H2 TIP3 2337 51.800 44.427 20.225 1.00 0.00 WT1 H ATOM 9700 OH2 TIP3 2338 70.925 37.408 56.708 1.00 0.00 WT1 O ATOM 9701 H1 TIP3 2338 71.292 37.856 57.470 1.00 0.00 WT1 H ATOM 9702 H2 TIP3 2338 70.363 36.727 57.078 1.00 0.00 WT1 H ATOM 9703 OH2 TIP3 2339 62.763 44.067 1.926 1.00 0.00 WT1 O ATOM 9704 H1 TIP3 2339 62.194 44.549 2.526 1.00 0.00 WT1 H ATOM 9705 H2 TIP3 2339 62.385 43.188 1.892 1.00 0.00 WT1 H ATOM 9706 OH2 TIP3 2340 65.894 21.234 13.981 1.00 0.00 WT1 O ATOM 9707 H1 TIP3 2340 65.663 20.343 14.243 1.00 0.00 WT1 H ATOM 9708 H2 TIP3 2340 65.061 21.636 13.734 1.00 0.00 WT1 H ATOM 9709 OH2 TIP3 2341 45.347 55.385 -8.330 1.00 0.00 WT1 O ATOM 9710 H1 TIP3 2341 44.572 55.913 -8.521 1.00 0.00 WT1 H ATOM 9711 H2 TIP3 2341 45.608 55.652 -7.449 1.00 0.00 WT1 H ATOM 9712 OH2 TIP3 2342 89.850 14.390 60.320 1.00 0.00 WT1 O ATOM 9713 H1 TIP3 2342 90.267 14.281 61.175 1.00 0.00 WT1 H ATOM 9714 H2 TIP3 2342 90.318 15.121 59.916 1.00 0.00 WT1 H ATOM 9715 OH2 TIP3 2344 63.328 2.222 65.090 1.00 0.00 WT1 O ATOM 9716 H1 TIP3 2344 63.300 2.467 66.014 1.00 0.00 WT1 H ATOM 9717 H2 TIP3 2344 62.446 1.903 64.898 1.00 0.00 WT1 H ATOM 9718 OH2 TIP3 2345 70.393 42.299 52.103 1.00 0.00 WT1 O ATOM 9719 H1 TIP3 2345 71.287 42.455 51.797 1.00 0.00 WT1 H ATOM 9720 H2 TIP3 2345 70.015 41.709 51.451 1.00 0.00 WT1 H ATOM 9721 OH2 TIP3 2346 28.800 13.097 -19.362 1.00 0.00 WT1 O ATOM 9722 H1 TIP3 2346 29.661 13.516 -19.346 1.00 0.00 WT1 H ATOM 9723 H2 TIP3 2346 28.631 12.864 -18.449 1.00 0.00 WT1 H ATOM 9724 OH2 TIP3 2347 44.836 16.601 48.457 1.00 0.00 WT1 O ATOM 9725 H1 TIP3 2347 44.989 16.680 47.515 1.00 0.00 WT1 H ATOM 9726 H2 TIP3 2347 43.887 16.503 48.539 1.00 0.00 WT1 H ATOM 9727 OH2 TIP3 2348 75.919 6.100 -16.181 1.00 0.00 WT1 O ATOM 9728 H1 TIP3 2348 76.454 5.653 -15.525 1.00 0.00 WT1 H ATOM 9729 H2 TIP3 2348 75.465 5.394 -16.642 1.00 0.00 WT1 H ATOM 9730 OH2 TIP3 2349 46.666 82.757 37.796 1.00 0.00 WT1 O ATOM 9731 H1 TIP3 2349 47.581 82.610 37.556 1.00 0.00 WT1 H ATOM 9732 H2 TIP3 2349 46.216 81.957 37.525 1.00 0.00 WT1 H ATOM 9733 OH2 TIP3 2350 72.901 94.847 61.754 1.00 0.00 WT1 O ATOM 9734 H1 TIP3 2350 72.675 95.768 61.882 1.00 0.00 WT1 H ATOM 9735 H2 TIP3 2350 73.666 94.708 62.313 1.00 0.00 WT1 H ATOM 9736 OH2 TIP3 2351 87.746 21.765 61.913 1.00 0.00 WT1 O ATOM 9737 H1 TIP3 2351 88.412 22.371 62.239 1.00 0.00 WT1 H ATOM 9738 H2 TIP3 2351 87.535 22.089 61.037 1.00 0.00 WT1 H ATOM 9739 OH2 TIP3 2352 52.541 21.444 58.235 1.00 0.00 WT1 O ATOM 9740 H1 TIP3 2352 52.056 21.619 57.428 1.00 0.00 WT1 H ATOM 9741 H2 TIP3 2352 53.273 20.892 57.959 1.00 0.00 WT1 H ATOM 9742 OH2 TIP3 2353 49.692 6.467 41.944 1.00 0.00 WT1 O ATOM 9743 H1 TIP3 2353 49.323 6.143 41.122 1.00 0.00 WT1 H ATOM 9744 H2 TIP3 2353 50.408 5.863 42.140 1.00 0.00 WT1 H ATOM 9745 OH2 TIP3 2354 66.796 73.231 15.169 1.00 0.00 WT1 O ATOM 9746 H1 TIP3 2354 66.888 72.627 15.905 1.00 0.00 WT1 H ATOM 9747 H2 TIP3 2354 66.198 72.787 14.567 1.00 0.00 WT1 H ATOM 9748 OH2 TIP3 2355 62.529 56.491 24.224 1.00 0.00 WT1 O ATOM 9749 H1 TIP3 2355 62.681 56.601 23.286 1.00 0.00 WT1 H ATOM 9750 H2 TIP3 2355 61.576 56.481 24.314 1.00 0.00 WT1 H ATOM 9751 OH2 TIP3 2356 63.825 92.433 34.082 1.00 0.00 WT1 O ATOM 9752 H1 TIP3 2356 64.623 92.128 34.512 1.00 0.00 WT1 H ATOM 9753 H2 TIP3 2356 63.184 91.742 34.247 1.00 0.00 WT1 H ATOM 9754 OH2 TIP3 2357 67.314 78.283 -8.611 1.00 0.00 WT1 O ATOM 9755 H1 TIP3 2357 67.352 77.329 -8.539 1.00 0.00 WT1 H ATOM 9756 H2 TIP3 2357 67.731 78.476 -9.451 1.00 0.00 WT1 H ATOM 9757 OH2 TIP3 2358 71.607 68.723 43.550 1.00 0.00 WT1 O ATOM 9758 H1 TIP3 2358 72.396 69.035 43.993 1.00 0.00 WT1 H ATOM 9759 H2 TIP3 2358 71.364 67.927 44.024 1.00 0.00 WT1 H ATOM 9760 OH2 TIP3 2359 49.273 43.281 -7.807 1.00 0.00 WT1 O ATOM 9761 H1 TIP3 2359 49.628 44.088 -7.433 1.00 0.00 WT1 H ATOM 9762 H2 TIP3 2359 48.450 43.548 -8.215 1.00 0.00 WT1 H ATOM 9763 OH2 TIP3 2360 26.247 88.599 9.805 1.00 0.00 WT1 O ATOM 9764 H1 TIP3 2360 26.511 89.074 10.593 1.00 0.00 WT1 H ATOM 9765 H2 TIP3 2360 26.790 87.810 9.809 1.00 0.00 WT1 H ATOM 9766 OH2 TIP3 2361 25.781 5.077 -17.609 1.00 0.00 WT1 O ATOM 9767 H1 TIP3 2361 25.200 4.357 -17.854 1.00 0.00 WT1 H ATOM 9768 H2 TIP3 2361 26.609 4.653 -17.387 1.00 0.00 WT1 H ATOM 9769 OH2 TIP3 2362 60.464 61.666 -13.479 1.00 0.00 WT1 O ATOM 9770 H1 TIP3 2362 59.725 62.211 -13.751 1.00 0.00 WT1 H ATOM 9771 H2 TIP3 2362 61.022 62.256 -12.972 1.00 0.00 WT1 H ATOM 9772 OH2 TIP3 2363 72.923 34.901 -13.869 1.00 0.00 WT1 O ATOM 9773 H1 TIP3 2363 73.589 35.050 -14.540 1.00 0.00 WT1 H ATOM 9774 H2 TIP3 2363 73.197 35.448 -13.133 1.00 0.00 WT1 H ATOM 9775 OH2 TIP3 2367 37.129 8.809 22.421 1.00 0.00 WT1 O ATOM 9776 H1 TIP3 2367 38.029 8.507 22.546 1.00 0.00 WT1 H ATOM 9777 H2 TIP3 2367 37.094 9.653 22.872 1.00 0.00 WT1 H ATOM 9778 OH2 TIP3 2369 37.923 57.996 44.323 1.00 0.00 WT1 O ATOM 9779 H1 TIP3 2369 38.387 57.744 43.524 1.00 0.00 WT1 H ATOM 9780 H2 TIP3 2369 38.497 57.709 45.033 1.00 0.00 WT1 H ATOM 9781 OH2 TIP3 2370 85.321 48.946 20.373 1.00 0.00 WT1 O ATOM 9782 H1 TIP3 2370 85.723 49.679 20.839 1.00 0.00 WT1 H ATOM 9783 H2 TIP3 2370 85.006 49.327 19.553 1.00 0.00 WT1 H ATOM 9784 OH2 TIP3 2371 36.716 38.389 44.855 1.00 0.00 WT1 O ATOM 9785 H1 TIP3 2371 37.511 38.099 44.408 1.00 0.00 WT1 H ATOM 9786 H2 TIP3 2371 36.223 37.584 45.015 1.00 0.00 WT1 H ATOM 9787 OH2 TIP3 2372 85.107 32.058 -19.368 1.00 0.00 WT1 O ATOM 9788 H1 TIP3 2372 85.910 32.544 -19.555 1.00 0.00 WT1 H ATOM 9789 H2 TIP3 2372 84.425 32.729 -19.327 1.00 0.00 WT1 H ATOM 9790 OH2 TIP3 2373 50.053 47.360 37.480 1.00 0.00 WT1 O ATOM 9791 H1 TIP3 2373 50.587 46.644 37.823 1.00 0.00 WT1 H ATOM 9792 H2 TIP3 2373 50.306 47.429 36.559 1.00 0.00 WT1 H ATOM 9793 OH2 TIP3 2374 44.965 19.541 18.575 1.00 0.00 WT1 O ATOM 9794 H1 TIP3 2374 45.116 19.700 19.507 1.00 0.00 WT1 H ATOM 9795 H2 TIP3 2374 44.076 19.188 18.533 1.00 0.00 WT1 H ATOM 9796 OH2 TIP3 2375 56.648 1.784 40.312 1.00 0.00 WT1 O ATOM 9797 H1 TIP3 2375 57.089 1.853 39.465 1.00 0.00 WT1 H ATOM 9798 H2 TIP3 2375 56.620 2.682 40.642 1.00 0.00 WT1 H ATOM 9799 OH2 TIP3 2376 87.108 63.464 -17.395 1.00 0.00 WT1 O ATOM 9800 H1 TIP3 2376 87.454 63.267 -16.525 1.00 0.00 WT1 H ATOM 9801 H2 TIP3 2376 87.748 64.062 -17.779 1.00 0.00 WT1 H ATOM 9802 OH2 TIP3 2377 61.380 96.252 31.578 1.00 0.00 WT1 O ATOM 9803 H1 TIP3 2377 60.974 95.779 30.851 1.00 0.00 WT1 H ATOM 9804 H2 TIP3 2377 61.523 95.584 32.249 1.00 0.00 WT1 H ATOM 9805 OH2 TIP3 2379 57.956 4.906 -17.166 1.00 0.00 WT1 O ATOM 9806 H1 TIP3 2379 58.338 4.559 -17.972 1.00 0.00 WT1 H ATOM 9807 H2 TIP3 2379 58.416 4.447 -16.464 1.00 0.00 WT1 H ATOM 9808 OH2 TIP3 2380 43.402 12.305 -12.396 1.00 0.00 WT1 O ATOM 9809 H1 TIP3 2380 43.322 13.143 -12.852 1.00 0.00 WT1 H ATOM 9810 H2 TIP3 2380 42.986 12.453 -11.547 1.00 0.00 WT1 H ATOM 9811 OH2 TIP3 2381 45.435 15.698 5.952 1.00 0.00 WT1 O ATOM 9812 H1 TIP3 2381 45.626 15.044 6.624 1.00 0.00 WT1 H ATOM 9813 H2 TIP3 2381 44.501 15.879 6.051 1.00 0.00 WT1 H ATOM 9814 OH2 TIP3 2382 77.427 0.851 38.277 1.00 0.00 WT1 O ATOM 9815 H1 TIP3 2382 77.081 -0.041 38.246 1.00 0.00 WT1 H ATOM 9816 H2 TIP3 2382 77.199 1.227 37.427 1.00 0.00 WT1 H ATOM 9817 OH2 TIP3 2383 52.926 81.707 42.335 1.00 0.00 WT1 O ATOM 9818 H1 TIP3 2383 52.369 82.475 42.211 1.00 0.00 WT1 H ATOM 9819 H2 TIP3 2383 52.828 81.206 41.526 1.00 0.00 WT1 H ATOM 9820 OH2 TIP3 2384 77.408 83.105 40.780 1.00 0.00 WT1 O ATOM 9821 H1 TIP3 2384 77.928 83.423 41.519 1.00 0.00 WT1 H ATOM 9822 H2 TIP3 2384 76.715 82.581 41.181 1.00 0.00 WT1 H ATOM 9823 OH2 TIP3 2385 30.517 0.729 -10.435 1.00 0.00 WT1 O ATOM 9824 H1 TIP3 2385 30.715 -0.202 -10.326 1.00 0.00 WT1 H ATOM 9825 H2 TIP3 2385 29.566 0.761 -10.538 1.00 0.00 WT1 H ATOM 9826 OH2 TIP3 2386 57.402 75.326 59.672 1.00 0.00 WT1 O ATOM 9827 H1 TIP3 2386 56.735 75.343 60.358 1.00 0.00 WT1 H ATOM 9828 H2 TIP3 2386 58.042 74.682 59.976 1.00 0.00 WT1 H ATOM 9829 OH2 TIP3 2387 80.617 24.587 42.786 1.00 0.00 WT1 O ATOM 9830 H1 TIP3 2387 79.727 24.938 42.768 1.00 0.00 WT1 H ATOM 9831 H2 TIP3 2387 81.174 25.354 42.923 1.00 0.00 WT1 H ATOM 9832 OH2 TIP3 2389 27.564 89.326 40.466 1.00 0.00 WT1 O ATOM 9833 H1 TIP3 2389 28.226 89.949 40.766 1.00 0.00 WT1 H ATOM 9834 H2 TIP3 2389 27.495 89.484 39.525 1.00 0.00 WT1 H ATOM 9835 OH2 TIP3 2390 90.288 53.997 50.022 1.00 0.00 WT1 O ATOM 9836 H1 TIP3 2390 89.451 53.613 49.759 1.00 0.00 WT1 H ATOM 9837 H2 TIP3 2390 90.642 54.375 49.216 1.00 0.00 WT1 H ATOM 9838 OH2 TIP3 2391 58.067 43.839 39.029 1.00 0.00 WT1 O ATOM 9839 H1 TIP3 2391 58.025 44.763 38.780 1.00 0.00 WT1 H ATOM 9840 H2 TIP3 2391 58.046 43.848 39.986 1.00 0.00 WT1 H ATOM 9841 OH2 TIP3 2392 72.295 32.101 29.456 1.00 0.00 WT1 O ATOM 9842 H1 TIP3 2392 71.370 31.856 29.472 1.00 0.00 WT1 H ATOM 9843 H2 TIP3 2392 72.751 31.340 29.813 1.00 0.00 WT1 H ATOM 9844 OH2 TIP3 2393 73.808 0.991 39.725 1.00 0.00 WT1 O ATOM 9845 H1 TIP3 2393 72.951 0.627 39.506 1.00 0.00 WT1 H ATOM 9846 H2 TIP3 2393 73.816 1.853 39.308 1.00 0.00 WT1 H ATOM 9847 OH2 TIP3 2394 89.273 74.810 56.772 1.00 0.00 WT1 O ATOM 9848 H1 TIP3 2394 90.169 74.535 56.574 1.00 0.00 WT1 H ATOM 9849 H2 TIP3 2394 89.240 74.850 57.727 1.00 0.00 WT1 H ATOM 9850 OH2 TIP3 2395 29.131 47.004 33.113 1.00 0.00 WT1 O ATOM 9851 H1 TIP3 2395 28.482 47.108 32.417 1.00 0.00 WT1 H ATOM 9852 H2 TIP3 2395 29.657 46.252 32.839 1.00 0.00 WT1 H ATOM 9853 OH2 TIP3 2396 21.464 64.045 -3.752 1.00 0.00 WT1 O ATOM 9854 H1 TIP3 2396 21.204 63.194 -3.398 1.00 0.00 WT1 H ATOM 9855 H2 TIP3 2396 21.564 63.894 -4.691 1.00 0.00 WT1 H ATOM 9856 OH2 TIP3 2397 71.411 32.438 64.730 1.00 0.00 WT1 O ATOM 9857 H1 TIP3 2397 70.633 32.664 64.221 1.00 0.00 WT1 H ATOM 9858 H2 TIP3 2397 71.123 32.484 65.642 1.00 0.00 WT1 H ATOM 9859 OH2 TIP3 2398 54.384 12.421 -5.876 1.00 0.00 WT1 O ATOM 9860 H1 TIP3 2398 54.515 11.481 -5.751 1.00 0.00 WT1 H ATOM 9861 H2 TIP3 2398 55.039 12.670 -6.528 1.00 0.00 WT1 H ATOM 9862 OH2 TIP3 2399 74.637 52.431 17.790 1.00 0.00 WT1 O ATOM 9863 H1 TIP3 2399 74.795 53.024 17.056 1.00 0.00 WT1 H ATOM 9864 H2 TIP3 2399 73.871 51.922 17.526 1.00 0.00 WT1 H ATOM 9865 OH2 TIP3 2400 31.894 59.602 -10.339 1.00 0.00 WT1 O ATOM 9866 H1 TIP3 2400 32.053 59.505 -11.278 1.00 0.00 WT1 H ATOM 9867 H2 TIP3 2400 31.298 58.885 -10.121 1.00 0.00 WT1 H ATOM 9868 OH2 TIP3 2401 44.787 1.630 -12.664 1.00 0.00 WT1 O ATOM 9869 H1 TIP3 2401 45.009 2.427 -12.184 1.00 0.00 WT1 H ATOM 9870 H2 TIP3 2401 44.276 1.935 -13.414 1.00 0.00 WT1 H ATOM 9871 OH2 TIP3 2402 80.361 38.638 -6.112 1.00 0.00 WT1 O ATOM 9872 H1 TIP3 2402 80.293 39.531 -5.774 1.00 0.00 WT1 H ATOM 9873 H2 TIP3 2402 80.620 38.114 -5.354 1.00 0.00 WT1 H ATOM 9874 OH2 TIP3 2403 44.569 36.651 32.481 1.00 0.00 WT1 O ATOM 9875 H1 TIP3 2403 45.183 37.125 31.920 1.00 0.00 WT1 H ATOM 9876 H2 TIP3 2403 43.967 36.224 31.872 1.00 0.00 WT1 H ATOM 9877 OH2 TIP3 2404 47.391 39.629 3.206 1.00 0.00 WT1 O ATOM 9878 H1 TIP3 2404 47.087 40.508 3.433 1.00 0.00 WT1 H ATOM 9879 H2 TIP3 2404 47.659 39.245 4.040 1.00 0.00 WT1 H ATOM 9880 OH2 TIP3 2405 40.925 7.017 51.524 1.00 0.00 WT1 O ATOM 9881 H1 TIP3 2405 40.113 6.510 51.540 1.00 0.00 WT1 H ATOM 9882 H2 TIP3 2405 40.899 7.537 52.327 1.00 0.00 WT1 H ATOM 9883 OH2 TIP3 2406 55.338 34.814 -15.643 1.00 0.00 WT1 O ATOM 9884 H1 TIP3 2406 54.470 35.154 -15.860 1.00 0.00 WT1 H ATOM 9885 H2 TIP3 2406 55.616 35.333 -14.888 1.00 0.00 WT1 H ATOM 9886 OH2 TIP3 2407 27.165 19.882 2.872 1.00 0.00 WT1 O ATOM 9887 H1 TIP3 2407 27.780 20.077 2.165 1.00 0.00 WT1 H ATOM 9888 H2 TIP3 2407 27.062 20.714 3.336 1.00 0.00 WT1 H ATOM 9889 OH2 TIP3 2408 53.763 17.866 31.371 1.00 0.00 WT1 O ATOM 9890 H1 TIP3 2408 54.084 16.982 31.193 1.00 0.00 WT1 H ATOM 9891 H2 TIP3 2408 53.762 18.298 30.517 1.00 0.00 WT1 H ATOM 9892 OH2 TIP3 2409 74.404 14.420 62.428 1.00 0.00 WT1 O ATOM 9893 H1 TIP3 2409 74.200 14.493 61.496 1.00 0.00 WT1 H ATOM 9894 H2 TIP3 2409 74.880 15.224 62.633 1.00 0.00 WT1 H ATOM 9895 OH2 TIP3 2410 85.186 42.311 -5.420 1.00 0.00 WT1 O ATOM 9896 H1 TIP3 2410 85.466 41.401 -5.517 1.00 0.00 WT1 H ATOM 9897 H2 TIP3 2410 84.252 42.299 -5.629 1.00 0.00 WT1 H ATOM 9898 OH2 TIP3 2411 70.588 25.911 29.228 1.00 0.00 WT1 O ATOM 9899 H1 TIP3 2411 70.557 26.645 28.615 1.00 0.00 WT1 H ATOM 9900 H2 TIP3 2411 71.486 25.585 29.167 1.00 0.00 WT1 H ATOM 9901 OH2 TIP3 2412 37.865 13.218 3.045 1.00 0.00 WT1 O ATOM 9902 H1 TIP3 2412 37.504 12.593 3.673 1.00 0.00 WT1 H ATOM 9903 H2 TIP3 2412 37.874 12.745 2.213 1.00 0.00 WT1 H ATOM 9904 OH2 TIP3 2413 30.916 24.041 54.721 1.00 0.00 WT1 O ATOM 9905 H1 TIP3 2413 30.700 24.960 54.879 1.00 0.00 WT1 H ATOM 9906 H2 TIP3 2413 31.510 24.059 53.970 1.00 0.00 WT1 H ATOM 9907 OH2 TIP3 2414 43.538 72.239 -19.114 1.00 0.00 WT1 O ATOM 9908 H1 TIP3 2414 43.319 71.330 -18.909 1.00 0.00 WT1 H ATOM 9909 H2 TIP3 2414 44.492 72.245 -19.189 1.00 0.00 WT1 H ATOM 9910 OH2 TIP3 2415 86.150 53.622 10.821 1.00 0.00 WT1 O ATOM 9911 H1 TIP3 2415 86.344 54.310 10.183 1.00 0.00 WT1 H ATOM 9912 H2 TIP3 2415 86.880 53.008 10.741 1.00 0.00 WT1 H ATOM 9913 OH2 TIP3 2416 85.989 41.450 -9.186 1.00 0.00 WT1 O ATOM 9914 H1 TIP3 2416 86.084 42.231 -8.641 1.00 0.00 WT1 H ATOM 9915 H2 TIP3 2416 85.773 41.789 -10.055 1.00 0.00 WT1 H ATOM 9916 OH2 TIP3 2417 62.817 10.124 65.886 1.00 0.00 WT1 O ATOM 9917 H1 TIP3 2417 63.664 9.753 66.133 1.00 0.00 WT1 H ATOM 9918 H2 TIP3 2417 62.312 10.132 66.700 1.00 0.00 WT1 H ATOM 9919 OH2 TIP3 2418 75.668 24.075 -13.714 1.00 0.00 WT1 O ATOM 9920 H1 TIP3 2418 76.613 24.210 -13.775 1.00 0.00 WT1 H ATOM 9921 H2 TIP3 2418 75.549 23.138 -13.869 1.00 0.00 WT1 H ATOM 9922 OH2 TIP3 2419 26.996 44.895 43.142 1.00 0.00 WT1 O ATOM 9923 H1 TIP3 2419 26.583 44.214 42.610 1.00 0.00 WT1 H ATOM 9924 H2 TIP3 2419 26.335 45.124 43.794 1.00 0.00 WT1 H ATOM 9925 OH2 TIP3 2420 73.017 42.694 -2.288 1.00 0.00 WT1 O ATOM 9926 H1 TIP3 2420 72.922 43.297 -1.550 1.00 0.00 WT1 H ATOM 9927 H2 TIP3 2420 73.957 42.525 -2.341 1.00 0.00 WT1 H ATOM 9928 OH2 TIP3 2421 66.935 46.157 43.844 1.00 0.00 WT1 O ATOM 9929 H1 TIP3 2421 66.690 46.131 42.919 1.00 0.00 WT1 H ATOM 9930 H2 TIP3 2421 66.735 47.051 44.120 1.00 0.00 WT1 H ATOM 9931 OH2 TIP3 2422 38.432 93.316 33.244 1.00 0.00 WT1 O ATOM 9932 H1 TIP3 2422 39.320 93.484 32.928 1.00 0.00 WT1 H ATOM 9933 H2 TIP3 2422 38.056 92.719 32.597 1.00 0.00 WT1 H ATOM 9934 OH2 TIP3 2423 41.764 61.218 7.088 1.00 0.00 WT1 O ATOM 9935 H1 TIP3 2423 41.812 60.288 6.866 1.00 0.00 WT1 H ATOM 9936 H2 TIP3 2423 42.450 61.344 7.744 1.00 0.00 WT1 H ATOM 9937 OH2 TIP3 2425 37.852 21.216 -13.641 1.00 0.00 WT1 O ATOM 9938 H1 TIP3 2425 37.326 20.867 -14.361 1.00 0.00 WT1 H ATOM 9939 H2 TIP3 2425 37.869 20.512 -12.993 1.00 0.00 WT1 H ATOM 9940 OH2 TIP3 2426 86.338 73.469 6.380 1.00 0.00 WT1 O ATOM 9941 H1 TIP3 2426 86.560 72.820 7.047 1.00 0.00 WT1 H ATOM 9942 H2 TIP3 2426 87.126 74.005 6.295 1.00 0.00 WT1 H ATOM 9943 OH2 TIP3 2427 27.413 21.557 21.208 1.00 0.00 WT1 O ATOM 9944 H1 TIP3 2427 27.875 21.974 20.481 1.00 0.00 WT1 H ATOM 9945 H2 TIP3 2427 28.002 21.656 21.956 1.00 0.00 WT1 H ATOM 9946 OH2 TIP3 2429 81.044 89.628 38.065 1.00 0.00 WT1 O ATOM 9947 H1 TIP3 2429 81.657 89.031 37.636 1.00 0.00 WT1 H ATOM 9948 H2 TIP3 2429 80.198 89.433 37.663 1.00 0.00 WT1 H ATOM 9949 OH2 TIP3 2430 55.928 57.505 55.991 1.00 0.00 WT1 O ATOM 9950 H1 TIP3 2430 56.273 58.389 56.113 1.00 0.00 WT1 H ATOM 9951 H2 TIP3 2430 55.248 57.603 55.324 1.00 0.00 WT1 H ATOM 9952 OH2 TIP3 2431 33.650 89.062 35.113 1.00 0.00 WT1 O ATOM 9953 H1 TIP3 2431 33.611 90.000 35.298 1.00 0.00 WT1 H ATOM 9954 H2 TIP3 2431 34.518 88.793 35.414 1.00 0.00 WT1 H ATOM 9955 OH2 TIP3 2432 75.369 2.140 14.620 1.00 0.00 WT1 O ATOM 9956 H1 TIP3 2432 76.062 1.580 14.971 1.00 0.00 WT1 H ATOM 9957 H2 TIP3 2432 74.913 1.588 13.985 1.00 0.00 WT1 H ATOM 9958 OH2 TIP3 2433 82.068 62.283 46.688 1.00 0.00 WT1 O ATOM 9959 H1 TIP3 2433 82.945 62.308 46.305 1.00 0.00 WT1 H ATOM 9960 H2 TIP3 2433 81.613 63.027 46.293 1.00 0.00 WT1 H ATOM 9961 OH2 TIP3 2434 35.374 21.865 56.875 1.00 0.00 WT1 O ATOM 9962 H1 TIP3 2434 34.921 21.028 56.766 1.00 0.00 WT1 H ATOM 9963 H2 TIP3 2434 35.062 22.403 56.147 1.00 0.00 WT1 H ATOM 9964 OH2 TIP3 2435 70.783 15.297 59.628 1.00 0.00 WT1 O ATOM 9965 H1 TIP3 2435 70.081 14.775 60.017 1.00 0.00 WT1 H ATOM 9966 H2 TIP3 2435 70.393 15.675 58.839 1.00 0.00 WT1 H ATOM 9967 OH2 TIP3 2436 48.457 21.345 -19.385 1.00 0.00 WT1 O ATOM 9968 H1 TIP3 2436 49.279 21.804 -19.556 1.00 0.00 WT1 H ATOM 9969 H2 TIP3 2436 48.114 21.134 -20.253 1.00 0.00 WT1 H ATOM 9970 OH2 TIP3 2437 35.077 18.279 32.153 1.00 0.00 WT1 O ATOM 9971 H1 TIP3 2437 35.762 18.275 31.485 1.00 0.00 WT1 H ATOM 9972 H2 TIP3 2437 34.428 18.903 31.829 1.00 0.00 WT1 H ATOM 9973 OH2 TIP3 2438 41.894 28.689 4.478 1.00 0.00 WT1 O ATOM 9974 H1 TIP3 2438 42.513 29.274 4.042 1.00 0.00 WT1 H ATOM 9975 H2 TIP3 2438 41.495 29.227 5.162 1.00 0.00 WT1 H ATOM 9976 OH2 TIP3 2439 35.341 34.669 -12.166 1.00 0.00 WT1 O ATOM 9977 H1 TIP3 2439 34.752 34.581 -11.416 1.00 0.00 WT1 H ATOM 9978 H2 TIP3 2439 34.963 35.379 -12.685 1.00 0.00 WT1 H ATOM 9979 OH2 TIP3 2440 25.099 31.413 23.798 1.00 0.00 WT1 O ATOM 9980 H1 TIP3 2440 25.472 32.257 23.544 1.00 0.00 WT1 H ATOM 9981 H2 TIP3 2440 24.153 31.562 23.807 1.00 0.00 WT1 H ATOM 9982 OH2 TIP3 2441 30.885 29.390 32.089 1.00 0.00 WT1 O ATOM 9983 H1 TIP3 2441 29.950 29.341 32.288 1.00 0.00 WT1 H ATOM 9984 H2 TIP3 2441 31.226 30.044 32.699 1.00 0.00 WT1 H ATOM 9985 OH2 TIP3 2442 48.039 8.364 -2.841 1.00 0.00 WT1 O ATOM 9986 H1 TIP3 2442 47.253 8.504 -2.312 1.00 0.00 WT1 H ATOM 9987 H2 TIP3 2442 48.475 7.617 -2.431 1.00 0.00 WT1 H ATOM 9988 OH2 TIP3 2443 26.776 67.455 44.082 1.00 0.00 WT1 O ATOM 9989 H1 TIP3 2443 26.305 66.790 43.580 1.00 0.00 WT1 H ATOM 9990 H2 TIP3 2443 27.403 66.959 44.610 1.00 0.00 WT1 H ATOM 9991 OH2 TIP3 2444 56.534 80.303 52.271 1.00 0.00 WT1 O ATOM 9992 H1 TIP3 2444 56.191 81.193 52.189 1.00 0.00 WT1 H ATOM 9993 H2 TIP3 2444 56.098 79.813 51.574 1.00 0.00 WT1 H ATOM 9994 OH2 TIP3 2447 26.925 95.215 4.740 1.00 0.00 WT1 O ATOM 9995 H1 TIP3 2447 26.421 94.435 4.973 1.00 0.00 WT1 H ATOM 9996 H2 TIP3 2447 27.648 95.229 5.368 1.00 0.00 WT1 H ATOM 9997 OH2 TIP3 2449 87.844 47.514 51.399 1.00 0.00 WT1 O ATOM 9998 H1 TIP3 2449 87.275 47.680 52.151 1.00 0.00 WT1 H ATOM 9999 H2 TIP3 2449 88.707 47.357 51.781 1.00 0.00 WT1 H ATOM 10000 OH2 TIP3 2451 33.834 39.985 33.285 1.00 0.00 WT1 O ATOM 10001 H1 TIP3 2451 34.350 40.790 33.327 1.00 0.00 WT1 H ATOM 10002 H2 TIP3 2451 33.442 39.907 34.155 1.00 0.00 WT1 H ATOM 10003 OH2 TIP3 2453 51.808 16.337 18.297 1.00 0.00 WT1 O ATOM 10004 H1 TIP3 2453 52.303 17.085 17.963 1.00 0.00 WT1 H ATOM 10005 H2 TIP3 2453 51.296 16.694 19.023 1.00 0.00 WT1 H ATOM 10006 OH2 TIP3 2455 53.333 17.783 14.577 1.00 0.00 WT1 O ATOM 10007 H1 TIP3 2455 52.386 17.920 14.583 1.00 0.00 WT1 H ATOM 10008 H2 TIP3 2455 53.679 18.525 14.081 1.00 0.00 WT1 H ATOM 10009 OH2 TIP3 2456 37.061 33.809 40.491 1.00 0.00 WT1 O ATOM 10010 H1 TIP3 2456 36.238 34.284 40.375 1.00 0.00 WT1 H ATOM 10011 H2 TIP3 2456 36.980 33.045 39.920 1.00 0.00 WT1 H ATOM 10012 OH2 TIP3 2457 26.083 3.178 58.350 1.00 0.00 WT1 O ATOM 10013 H1 TIP3 2457 26.663 3.895 58.092 1.00 0.00 WT1 H ATOM 10014 H2 TIP3 2457 25.572 2.989 57.563 1.00 0.00 WT1 H ATOM 10015 OH2 TIP3 2458 66.648 65.556 55.245 1.00 0.00 WT1 O ATOM 10016 H1 TIP3 2458 66.100 65.830 54.510 1.00 0.00 WT1 H ATOM 10017 H2 TIP3 2458 66.039 65.465 55.978 1.00 0.00 WT1 H ATOM 10018 OH2 TIP3 2459 48.036 53.637 3.973 1.00 0.00 WT1 O ATOM 10019 H1 TIP3 2459 48.805 53.070 3.917 1.00 0.00 WT1 H ATOM 10020 H2 TIP3 2459 48.370 54.460 4.329 1.00 0.00 WT1 H ATOM 10021 OH2 TIP3 2460 26.307 40.120 -1.513 1.00 0.00 WT1 O ATOM 10022 H1 TIP3 2460 26.947 39.994 -2.213 1.00 0.00 WT1 H ATOM 10023 H2 TIP3 2460 26.365 41.051 -1.299 1.00 0.00 WT1 H ATOM 10024 OH2 TIP3 2461 80.991 1.595 64.252 1.00 0.00 WT1 O ATOM 10025 H1 TIP3 2461 81.487 1.731 63.444 1.00 0.00 WT1 H ATOM 10026 H2 TIP3 2461 80.819 2.478 64.579 1.00 0.00 WT1 H ATOM 10027 OH2 TIP3 2462 42.785 17.426 -10.859 1.00 0.00 WT1 O ATOM 10028 H1 TIP3 2462 42.074 16.788 -10.802 1.00 0.00 WT1 H ATOM 10029 H2 TIP3 2462 42.424 18.222 -10.469 1.00 0.00 WT1 H ATOM 10030 OH2 TIP3 2463 44.346 7.489 14.890 1.00 0.00 WT1 O ATOM 10031 H1 TIP3 2463 44.645 7.307 15.781 1.00 0.00 WT1 H ATOM 10032 H2 TIP3 2463 43.959 8.363 14.941 1.00 0.00 WT1 H ATOM 10033 OH2 TIP3 2464 61.839 15.591 -15.506 1.00 0.00 WT1 O ATOM 10034 H1 TIP3 2464 62.136 14.717 -15.251 1.00 0.00 WT1 H ATOM 10035 H2 TIP3 2464 62.165 15.705 -16.399 1.00 0.00 WT1 H ATOM 10036 OH2 TIP3 2465 41.943 0.342 28.476 1.00 0.00 WT1 O ATOM 10037 H1 TIP3 2465 42.255 0.806 29.253 1.00 0.00 WT1 H ATOM 10038 H2 TIP3 2465 42.291 0.845 27.740 1.00 0.00 WT1 H ATOM 10039 OH2 TIP3 2467 27.657 34.570 56.458 1.00 0.00 WT1 O ATOM 10040 H1 TIP3 2467 28.078 33.946 57.050 1.00 0.00 WT1 H ATOM 10041 H2 TIP3 2467 28.327 35.233 56.293 1.00 0.00 WT1 H ATOM 10042 OH2 TIP3 2468 90.427 0.669 63.397 1.00 0.00 WT1 O ATOM 10043 H1 TIP3 2468 90.493 0.636 62.443 1.00 0.00 WT1 H ATOM 10044 H2 TIP3 2468 89.748 1.322 63.568 1.00 0.00 WT1 H ATOM 10045 OH2 TIP3 2469 47.194 56.513 -13.411 1.00 0.00 WT1 O ATOM 10046 H1 TIP3 2469 46.937 56.441 -12.492 1.00 0.00 WT1 H ATOM 10047 H2 TIP3 2469 47.895 57.165 -13.414 1.00 0.00 WT1 H ATOM 10048 OH2 TIP3 2470 77.848 21.377 38.170 1.00 0.00 WT1 O ATOM 10049 H1 TIP3 2470 78.142 21.478 37.265 1.00 0.00 WT1 H ATOM 10050 H2 TIP3 2470 78.646 21.460 38.692 1.00 0.00 WT1 H ATOM 10051 OH2 TIP3 2471 48.217 78.900 65.898 1.00 0.00 WT1 O ATOM 10052 H1 TIP3 2471 48.714 78.187 65.499 1.00 0.00 WT1 H ATOM 10053 H2 TIP3 2471 48.690 79.693 65.647 1.00 0.00 WT1 H ATOM 10054 OH2 TIP3 2472 40.125 41.786 28.180 1.00 0.00 WT1 O ATOM 10055 H1 TIP3 2472 40.808 41.563 27.547 1.00 0.00 WT1 H ATOM 10056 H2 TIP3 2472 40.597 42.180 28.913 1.00 0.00 WT1 H ATOM 10057 OH2 TIP3 2473 66.919 7.567 41.272 1.00 0.00 WT1 O ATOM 10058 H1 TIP3 2473 66.134 8.096 41.413 1.00 0.00 WT1 H ATOM 10059 H2 TIP3 2473 67.387 8.015 40.567 1.00 0.00 WT1 H ATOM 10060 OH2 TIP3 2474 21.346 77.128 12.626 1.00 0.00 WT1 O ATOM 10061 H1 TIP3 2474 21.476 77.233 13.568 1.00 0.00 WT1 H ATOM 10062 H2 TIP3 2474 20.789 76.353 12.545 1.00 0.00 WT1 H ATOM 10063 OH2 TIP3 2475 20.781 12.991 65.764 1.00 0.00 WT1 O ATOM 10064 H1 TIP3 2475 20.259 12.233 66.027 1.00 0.00 WT1 H ATOM 10065 H2 TIP3 2475 20.785 13.559 66.534 1.00 0.00 WT1 H ATOM 10066 OH2 TIP3 2476 32.935 35.416 47.773 1.00 0.00 WT1 O ATOM 10067 H1 TIP3 2476 33.264 36.258 48.088 1.00 0.00 WT1 H ATOM 10068 H2 TIP3 2476 33.470 34.764 48.224 1.00 0.00 WT1 H ATOM 10069 OH2 TIP3 2479 20.940 64.046 42.063 1.00 0.00 WT1 O ATOM 10070 H1 TIP3 2479 21.398 63.987 42.901 1.00 0.00 WT1 H ATOM 10071 H2 TIP3 2479 20.915 64.982 41.867 1.00 0.00 WT1 H ATOM 10072 OH2 TIP3 2480 36.117 42.916 58.339 1.00 0.00 WT1 O ATOM 10073 H1 TIP3 2480 36.008 42.625 59.245 1.00 0.00 WT1 H ATOM 10074 H2 TIP3 2480 35.604 42.294 57.824 1.00 0.00 WT1 H ATOM 10075 OH2 TIP3 2481 60.694 27.375 56.118 1.00 0.00 WT1 O ATOM 10076 H1 TIP3 2481 59.793 27.580 55.869 1.00 0.00 WT1 H ATOM 10077 H2 TIP3 2481 60.648 27.192 57.056 1.00 0.00 WT1 H ATOM 10078 OH2 TIP3 2482 39.227 36.705 13.015 1.00 0.00 WT1 O ATOM 10079 H1 TIP3 2482 40.029 37.130 13.318 1.00 0.00 WT1 H ATOM 10080 H2 TIP3 2482 38.638 36.740 13.769 1.00 0.00 WT1 H ATOM 10081 OH2 TIP3 2483 83.923 65.661 54.152 1.00 0.00 WT1 O ATOM 10082 H1 TIP3 2483 83.617 66.492 54.514 1.00 0.00 WT1 H ATOM 10083 H2 TIP3 2483 83.140 65.261 53.774 1.00 0.00 WT1 H ATOM 10084 OH2 TIP3 2484 65.196 91.395 16.660 1.00 0.00 WT1 O ATOM 10085 H1 TIP3 2484 65.573 91.441 15.782 1.00 0.00 WT1 H ATOM 10086 H2 TIP3 2484 65.041 90.462 16.807 1.00 0.00 WT1 H ATOM 10087 OH2 TIP3 2487 84.490 19.539 50.685 1.00 0.00 WT1 O ATOM 10088 H1 TIP3 2487 84.174 19.039 51.437 1.00 0.00 WT1 H ATOM 10089 H2 TIP3 2487 85.370 19.198 50.523 1.00 0.00 WT1 H ATOM 10090 OH2 TIP3 2488 34.174 19.285 23.368 1.00 0.00 WT1 O ATOM 10091 H1 TIP3 2488 34.902 19.614 22.841 1.00 0.00 WT1 H ATOM 10092 H2 TIP3 2488 34.406 18.376 23.558 1.00 0.00 WT1 H ATOM 10093 OH2 TIP3 2489 77.003 55.168 -5.719 1.00 0.00 WT1 O ATOM 10094 H1 TIP3 2489 77.505 55.689 -5.092 1.00 0.00 WT1 H ATOM 10095 H2 TIP3 2489 77.447 54.320 -5.735 1.00 0.00 WT1 H ATOM 10096 OH2 TIP3 2492 47.354 11.249 2.866 1.00 0.00 WT1 O ATOM 10097 H1 TIP3 2492 46.791 11.954 3.186 1.00 0.00 WT1 H ATOM 10098 H2 TIP3 2492 47.375 10.615 3.583 1.00 0.00 WT1 H ATOM 10099 OH2 TIP3 2493 81.391 30.587 13.946 1.00 0.00 WT1 O ATOM 10100 H1 TIP3 2493 81.474 29.999 14.696 1.00 0.00 WT1 H ATOM 10101 H2 TIP3 2493 80.512 30.958 14.026 1.00 0.00 WT1 H ATOM 10102 OH2 TIP3 2494 64.547 66.478 53.697 1.00 0.00 WT1 O ATOM 10103 H1 TIP3 2494 64.477 66.568 52.746 1.00 0.00 WT1 H ATOM 10104 H2 TIP3 2494 63.948 65.764 53.915 1.00 0.00 WT1 H ATOM 10105 OH2 TIP3 2495 29.770 93.980 0.148 1.00 0.00 WT1 O ATOM 10106 H1 TIP3 2495 29.107 94.089 -0.534 1.00 0.00 WT1 H ATOM 10107 H2 TIP3 2495 29.721 93.054 0.384 1.00 0.00 WT1 H ATOM 10108 OH2 TIP3 2496 35.514 47.956 56.289 1.00 0.00 WT1 O ATOM 10109 H1 TIP3 2496 36.298 48.265 56.744 1.00 0.00 WT1 H ATOM 10110 H2 TIP3 2496 35.480 47.019 56.477 1.00 0.00 WT1 H ATOM 10111 OH2 TIP3 2497 56.791 48.359 36.498 1.00 0.00 WT1 O ATOM 10112 H1 TIP3 2497 56.585 47.851 35.713 1.00 0.00 WT1 H ATOM 10113 H2 TIP3 2497 57.229 49.144 36.169 1.00 0.00 WT1 H ATOM 10114 OH2 TIP3 2498 84.701 41.032 59.348 1.00 0.00 WT1 O ATOM 10115 H1 TIP3 2498 84.669 40.891 60.294 1.00 0.00 WT1 H ATOM 10116 H2 TIP3 2498 84.222 41.850 59.211 1.00 0.00 WT1 H ATOM 10117 OH2 TIP3 2499 76.284 43.875 36.118 1.00 0.00 WT1 O ATOM 10118 H1 TIP3 2499 75.436 44.281 36.294 1.00 0.00 WT1 H ATOM 10119 H2 TIP3 2499 76.440 43.306 36.872 1.00 0.00 WT1 H ATOM 10120 OH2 TIP3 2500 76.077 83.029 28.660 1.00 0.00 WT1 O ATOM 10121 H1 TIP3 2500 75.823 82.146 28.389 1.00 0.00 WT1 H ATOM 10122 H2 TIP3 2500 75.345 83.335 29.195 1.00 0.00 WT1 H ATOM 10123 OH2 TIP3 2501 83.664 2.635 65.527 1.00 0.00 WT1 O ATOM 10124 H1 TIP3 2501 83.369 1.746 65.330 1.00 0.00 WT1 H ATOM 10125 H2 TIP3 2501 83.618 2.697 66.481 1.00 0.00 WT1 H ATOM 10126 OH2 TIP3 2502 57.356 51.503 -7.862 1.00 0.00 WT1 O ATOM 10127 H1 TIP3 2502 56.471 51.384 -8.207 1.00 0.00 WT1 H ATOM 10128 H2 TIP3 2502 57.311 51.168 -6.966 1.00 0.00 WT1 H ATOM 10129 OH2 TIP3 2503 67.287 42.755 -11.641 1.00 0.00 WT1 O ATOM 10130 H1 TIP3 2503 66.345 42.921 -11.692 1.00 0.00 WT1 H ATOM 10131 H2 TIP3 2503 67.355 41.870 -11.283 1.00 0.00 WT1 H ATOM 10132 OH2 TIP3 2505 24.873 89.942 -10.783 1.00 0.00 WT1 O ATOM 10133 H1 TIP3 2505 25.114 89.785 -11.696 1.00 0.00 WT1 H ATOM 10134 H2 TIP3 2505 25.659 90.321 -10.390 1.00 0.00 WT1 H ATOM 10135 OH2 TIP3 2506 75.398 46.217 52.285 1.00 0.00 WT1 O ATOM 10136 H1 TIP3 2506 75.629 46.213 51.357 1.00 0.00 WT1 H ATOM 10137 H2 TIP3 2506 76.095 46.723 52.704 1.00 0.00 WT1 H ATOM 10138 OH2 TIP3 2508 26.007 76.813 13.640 1.00 0.00 WT1 O ATOM 10139 H1 TIP3 2508 26.493 77.042 14.433 1.00 0.00 WT1 H ATOM 10140 H2 TIP3 2508 25.736 75.905 13.778 1.00 0.00 WT1 H ATOM 10141 OH2 TIP3 2510 36.487 47.642 32.606 1.00 0.00 WT1 O ATOM 10142 H1 TIP3 2510 36.568 46.744 32.926 1.00 0.00 WT1 H ATOM 10143 H2 TIP3 2510 37.197 48.116 33.039 1.00 0.00 WT1 H ATOM 10144 OH2 TIP3 2511 24.932 43.277 24.713 1.00 0.00 WT1 O ATOM 10145 H1 TIP3 2511 24.960 42.591 25.380 1.00 0.00 WT1 H ATOM 10146 H2 TIP3 2511 25.377 44.022 25.117 1.00 0.00 WT1 H ATOM 10147 OH2 TIP3 2512 70.136 65.515 2.308 1.00 0.00 WT1 O ATOM 10148 H1 TIP3 2512 69.926 66.156 2.987 1.00 0.00 WT1 H ATOM 10149 H2 TIP3 2512 70.190 66.029 1.502 1.00 0.00 WT1 H ATOM 10150 OH2 TIP3 2515 35.035 91.503 46.441 1.00 0.00 WT1 O ATOM 10151 H1 TIP3 2515 35.195 92.188 47.091 1.00 0.00 WT1 H ATOM 10152 H2 TIP3 2515 35.726 91.624 45.790 1.00 0.00 WT1 H ATOM 10153 OH2 TIP3 2517 31.941 50.225 -10.888 1.00 0.00 WT1 O ATOM 10154 H1 TIP3 2517 31.879 49.916 -9.985 1.00 0.00 WT1 H ATOM 10155 H2 TIP3 2517 31.543 51.096 -10.872 1.00 0.00 WT1 H ATOM 10156 OH2 TIP3 2518 20.960 66.170 15.277 1.00 0.00 WT1 O ATOM 10157 H1 TIP3 2518 21.389 66.401 14.453 1.00 0.00 WT1 H ATOM 10158 H2 TIP3 2518 21.631 65.701 15.774 1.00 0.00 WT1 H ATOM 10159 OH2 TIP3 2519 31.212 6.215 13.599 1.00 0.00 WT1 O ATOM 10160 H1 TIP3 2519 31.742 5.940 14.347 1.00 0.00 WT1 H ATOM 10161 H2 TIP3 2519 31.845 6.562 12.971 1.00 0.00 WT1 H ATOM 10162 OH2 TIP3 2521 28.980 32.775 7.303 1.00 0.00 WT1 O ATOM 10163 H1 TIP3 2521 29.488 33.551 7.066 1.00 0.00 WT1 H ATOM 10164 H2 TIP3 2521 28.128 33.118 7.572 1.00 0.00 WT1 H ATOM 10165 OH2 TIP3 2522 42.575 34.316 34.020 1.00 0.00 WT1 O ATOM 10166 H1 TIP3 2522 42.301 34.272 33.104 1.00 0.00 WT1 H ATOM 10167 H2 TIP3 2522 43.448 34.708 33.990 1.00 0.00 WT1 H ATOM 10168 OH2 TIP3 2523 41.480 70.032 -0.987 1.00 0.00 WT1 O ATOM 10169 H1 TIP3 2523 40.970 70.542 -0.357 1.00 0.00 WT1 H ATOM 10170 H2 TIP3 2523 41.803 69.284 -0.485 1.00 0.00 WT1 H ATOM 10171 OH2 TIP3 2525 65.302 7.820 54.714 1.00 0.00 WT1 O ATOM 10172 H1 TIP3 2525 66.229 7.893 54.489 1.00 0.00 WT1 H ATOM 10173 H2 TIP3 2525 65.156 8.513 55.358 1.00 0.00 WT1 H ATOM 10174 OH2 TIP3 2526 75.504 84.935 47.175 1.00 0.00 WT1 O ATOM 10175 H1 TIP3 2526 75.193 85.827 47.329 1.00 0.00 WT1 H ATOM 10176 H2 TIP3 2526 76.397 85.046 46.848 1.00 0.00 WT1 H ATOM 10177 OH2 TIP3 2527 45.028 37.941 37.021 1.00 0.00 WT1 O ATOM 10178 H1 TIP3 2527 44.433 38.221 36.326 1.00 0.00 WT1 H ATOM 10179 H2 TIP3 2527 45.432 37.142 36.682 1.00 0.00 WT1 H ATOM 10180 OH2 TIP3 2528 72.933 64.749 47.863 1.00 0.00 WT1 O ATOM 10181 H1 TIP3 2528 72.950 65.139 46.990 1.00 0.00 WT1 H ATOM 10182 H2 TIP3 2528 73.839 64.799 48.167 1.00 0.00 WT1 H ATOM 10183 OH2 TIP3 2529 26.346 31.365 3.629 1.00 0.00 WT1 O ATOM 10184 H1 TIP3 2529 26.297 30.971 2.758 1.00 0.00 WT1 H ATOM 10185 H2 TIP3 2529 25.437 31.402 3.927 1.00 0.00 WT1 H ATOM 10186 OH2 TIP3 2530 65.183 14.605 61.085 1.00 0.00 WT1 O ATOM 10187 H1 TIP3 2530 65.049 14.184 60.236 1.00 0.00 WT1 H ATOM 10188 H2 TIP3 2530 64.901 15.510 60.953 1.00 0.00 WT1 H ATOM 10189 OH2 TIP3 2532 38.935 61.799 -7.688 1.00 0.00 WT1 O ATOM 10190 H1 TIP3 2532 38.095 61.591 -7.281 1.00 0.00 WT1 H ATOM 10191 H2 TIP3 2532 39.486 61.037 -7.508 1.00 0.00 WT1 H ATOM 10192 OH2 TIP3 2533 67.460 76.591 36.289 1.00 0.00 WT1 O ATOM 10193 H1 TIP3 2533 66.784 75.952 36.512 1.00 0.00 WT1 H ATOM 10194 H2 TIP3 2533 66.992 77.424 36.229 1.00 0.00 WT1 H ATOM 10195 OH2 TIP3 2535 46.869 13.383 28.342 1.00 0.00 WT1 O ATOM 10196 H1 TIP3 2535 46.156 13.460 27.708 1.00 0.00 WT1 H ATOM 10197 H2 TIP3 2535 47.206 14.274 28.434 1.00 0.00 WT1 H ATOM 10198 OH2 TIP3 2536 33.820 29.085 67.069 1.00 0.00 WT1 O ATOM 10199 H1 TIP3 2536 33.905 28.445 66.362 1.00 0.00 WT1 H ATOM 10200 H2 TIP3 2536 34.654 29.554 67.070 1.00 0.00 WT1 H ATOM 10201 OH2 TIP3 2537 51.135 49.818 -10.834 1.00 0.00 WT1 O ATOM 10202 H1 TIP3 2537 51.123 49.399 -11.695 1.00 0.00 WT1 H ATOM 10203 H2 TIP3 2537 51.253 50.749 -11.022 1.00 0.00 WT1 H ATOM 10204 OH2 TIP3 2538 51.360 38.056 21.355 1.00 0.00 WT1 O ATOM 10205 H1 TIP3 2538 51.390 38.571 22.161 1.00 0.00 WT1 H ATOM 10206 H2 TIP3 2538 50.777 38.548 20.777 1.00 0.00 WT1 H ATOM 10207 OH2 TIP3 2539 90.580 30.940 57.659 1.00 0.00 WT1 O ATOM 10208 H1 TIP3 2539 90.779 30.105 58.083 1.00 0.00 WT1 H ATOM 10209 H2 TIP3 2539 89.961 31.368 58.250 1.00 0.00 WT1 H ATOM 10210 OH2 TIP3 2540 63.881 32.273 66.768 1.00 0.00 WT1 O ATOM 10211 H1 TIP3 2540 63.876 32.028 67.693 1.00 0.00 WT1 H ATOM 10212 H2 TIP3 2540 62.976 32.523 66.582 1.00 0.00 WT1 H ATOM 10213 OH2 TIP3 2541 47.078 2.559 32.199 1.00 0.00 WT1 O ATOM 10214 H1 TIP3 2541 47.209 1.886 32.866 1.00 0.00 WT1 H ATOM 10215 H2 TIP3 2541 47.824 3.150 32.304 1.00 0.00 WT1 H ATOM 10216 OH2 TIP3 2542 36.377 88.881 1.610 1.00 0.00 WT1 O ATOM 10217 H1 TIP3 2542 35.682 89.415 1.994 1.00 0.00 WT1 H ATOM 10218 H2 TIP3 2542 36.321 88.045 2.073 1.00 0.00 WT1 H ATOM 10219 OH2 TIP3 2543 75.846 20.183 4.486 1.00 0.00 WT1 O ATOM 10220 H1 TIP3 2543 76.515 20.825 4.721 1.00 0.00 WT1 H ATOM 10221 H2 TIP3 2543 75.213 20.222 5.203 1.00 0.00 WT1 H ATOM 10222 OH2 TIP3 2544 84.616 36.923 9.926 1.00 0.00 WT1 O ATOM 10223 H1 TIP3 2544 84.734 36.474 9.089 1.00 0.00 WT1 H ATOM 10224 H2 TIP3 2544 83.717 36.720 10.183 1.00 0.00 WT1 H ATOM 10225 OH2 TIP3 2545 56.849 55.664 25.530 1.00 0.00 WT1 O ATOM 10226 H1 TIP3 2545 56.182 55.071 25.875 1.00 0.00 WT1 H ATOM 10227 H2 TIP3 2545 56.508 56.540 25.710 1.00 0.00 WT1 H ATOM 10228 OH2 TIP3 2546 25.746 58.149 -12.903 1.00 0.00 WT1 O ATOM 10229 H1 TIP3 2546 25.899 59.081 -12.748 1.00 0.00 WT1 H ATOM 10230 H2 TIP3 2546 26.054 58.001 -13.797 1.00 0.00 WT1 H ATOM 10231 OH2 TIP3 2547 33.868 37.905 -16.961 1.00 0.00 WT1 O ATOM 10232 H1 TIP3 2547 33.920 38.092 -16.024 1.00 0.00 WT1 H ATOM 10233 H2 TIP3 2547 34.729 38.146 -17.302 1.00 0.00 WT1 H ATOM 10234 OH2 TIP3 2548 38.642 41.495 -6.271 1.00 0.00 WT1 O ATOM 10235 H1 TIP3 2548 38.223 41.484 -7.131 1.00 0.00 WT1 H ATOM 10236 H2 TIP3 2548 38.943 42.397 -6.161 1.00 0.00 WT1 H ATOM 10237 OH2 TIP3 2549 22.203 69.261 13.615 1.00 0.00 WT1 O ATOM 10238 H1 TIP3 2549 22.556 68.796 14.373 1.00 0.00 WT1 H ATOM 10239 H2 TIP3 2549 21.885 68.569 13.035 1.00 0.00 WT1 H ATOM 10240 OH2 TIP3 2550 52.469 52.654 27.446 1.00 0.00 WT1 O ATOM 10241 H1 TIP3 2550 52.160 52.090 26.736 1.00 0.00 WT1 H ATOM 10242 H2 TIP3 2550 52.622 52.056 28.177 1.00 0.00 WT1 H ATOM 10243 OH2 TIP3 2551 77.450 41.646 49.415 1.00 0.00 WT1 O ATOM 10244 H1 TIP3 2551 76.708 41.054 49.545 1.00 0.00 WT1 H ATOM 10245 H2 TIP3 2551 78.150 41.274 49.952 1.00 0.00 WT1 H ATOM 10246 OH2 TIP3 2552 70.318 77.410 60.797 1.00 0.00 WT1 O ATOM 10247 H1 TIP3 2552 70.350 78.305 61.134 1.00 0.00 WT1 H ATOM 10248 H2 TIP3 2552 70.737 77.463 59.938 1.00 0.00 WT1 H ATOM 10249 OH2 TIP3 2553 35.131 49.172 -6.121 1.00 0.00 WT1 O ATOM 10250 H1 TIP3 2553 35.167 49.585 -6.984 1.00 0.00 WT1 H ATOM 10251 H2 TIP3 2553 35.170 49.903 -5.504 1.00 0.00 WT1 H ATOM 10252 OH2 TIP3 2554 52.216 56.590 -10.549 1.00 0.00 WT1 O ATOM 10253 H1 TIP3 2554 52.229 57.356 -11.122 1.00 0.00 WT1 H ATOM 10254 H2 TIP3 2554 52.781 55.953 -10.987 1.00 0.00 WT1 H ATOM 10255 OH2 TIP3 2556 77.879 59.423 44.672 1.00 0.00 WT1 O ATOM 10256 H1 TIP3 2556 78.661 59.610 44.152 1.00 0.00 WT1 H ATOM 10257 H2 TIP3 2556 78.195 59.390 45.576 1.00 0.00 WT1 H ATOM 10258 OH2 TIP3 2557 86.287 58.828 12.446 1.00 0.00 WT1 O ATOM 10259 H1 TIP3 2557 86.760 59.634 12.652 1.00 0.00 WT1 H ATOM 10260 H2 TIP3 2557 86.856 58.127 12.764 1.00 0.00 WT1 H ATOM 10261 OH2 TIP3 2559 61.028 18.408 10.618 1.00 0.00 WT1 O ATOM 10262 H1 TIP3 2559 60.576 19.249 10.547 1.00 0.00 WT1 H ATOM 10263 H2 TIP3 2559 61.579 18.365 9.836 1.00 0.00 WT1 H ATOM 10264 OH2 TIP3 2560 81.776 17.106 -10.236 1.00 0.00 WT1 O ATOM 10265 H1 TIP3 2560 81.476 18.015 -10.246 1.00 0.00 WT1 H ATOM 10266 H2 TIP3 2560 81.205 16.658 -10.860 1.00 0.00 WT1 H ATOM 10267 OH2 TIP3 2561 33.213 34.407 -5.197 1.00 0.00 WT1 O ATOM 10268 H1 TIP3 2561 33.859 34.848 -5.748 1.00 0.00 WT1 H ATOM 10269 H2 TIP3 2561 33.536 33.509 -5.120 1.00 0.00 WT1 H ATOM 10270 OH2 TIP3 2562 55.621 27.546 59.093 1.00 0.00 WT1 O ATOM 10271 H1 TIP3 2562 56.182 28.186 58.655 1.00 0.00 WT1 H ATOM 10272 H2 TIP3 2562 56.009 27.441 59.962 1.00 0.00 WT1 H ATOM 10273 OH2 TIP3 2563 80.574 56.052 41.751 1.00 0.00 WT1 O ATOM 10274 H1 TIP3 2563 79.771 56.112 41.235 1.00 0.00 WT1 H ATOM 10275 H2 TIP3 2563 81.203 56.602 41.283 1.00 0.00 WT1 H ATOM 10276 OH2 TIP3 2564 82.095 40.889 25.346 1.00 0.00 WT1 O ATOM 10277 H1 TIP3 2564 82.241 41.150 24.436 1.00 0.00 WT1 H ATOM 10278 H2 TIP3 2564 81.823 39.973 25.292 1.00 0.00 WT1 H ATOM 10279 OH2 TIP3 2565 59.646 45.001 -14.596 1.00 0.00 WT1 O ATOM 10280 H1 TIP3 2565 59.586 45.877 -14.216 1.00 0.00 WT1 H ATOM 10281 H2 TIP3 2565 58.761 44.645 -14.520 1.00 0.00 WT1 H ATOM 10282 OH2 TIP3 2566 76.390 45.638 -17.280 1.00 0.00 WT1 O ATOM 10283 H1 TIP3 2566 77.027 46.285 -16.978 1.00 0.00 WT1 H ATOM 10284 H2 TIP3 2566 76.425 44.942 -16.623 1.00 0.00 WT1 H ATOM 10285 OH2 TIP3 2567 28.210 33.968 -10.033 1.00 0.00 WT1 O ATOM 10286 H1 TIP3 2567 27.834 34.227 -10.874 1.00 0.00 WT1 H ATOM 10287 H2 TIP3 2567 27.466 33.957 -9.430 1.00 0.00 WT1 H ATOM 10288 OH2 TIP3 2568 39.470 39.651 31.448 1.00 0.00 WT1 O ATOM 10289 H1 TIP3 2568 39.952 40.431 31.720 1.00 0.00 WT1 H ATOM 10290 H2 TIP3 2568 39.989 39.286 30.731 1.00 0.00 WT1 H ATOM 10291 OH2 TIP3 2569 34.622 61.255 7.130 1.00 0.00 WT1 O ATOM 10292 H1 TIP3 2569 33.999 60.662 6.712 1.00 0.00 WT1 H ATOM 10293 H2 TIP3 2569 34.077 61.865 7.627 1.00 0.00 WT1 H ATOM 10294 OH2 TIP3 2570 72.073 49.818 -9.709 1.00 0.00 WT1 O ATOM 10295 H1 TIP3 2570 71.755 50.299 -8.945 1.00 0.00 WT1 H ATOM 10296 H2 TIP3 2570 72.155 48.913 -9.406 1.00 0.00 WT1 H ATOM 10297 OH2 TIP3 2571 38.649 77.034 -4.288 1.00 0.00 WT1 O ATOM 10298 H1 TIP3 2571 38.790 77.946 -4.035 1.00 0.00 WT1 H ATOM 10299 H2 TIP3 2571 39.525 76.647 -4.286 1.00 0.00 WT1 H ATOM 10300 OH2 TIP3 2572 32.584 21.522 -2.696 1.00 0.00 WT1 O ATOM 10301 H1 TIP3 2572 33.001 20.920 -3.311 1.00 0.00 WT1 H ATOM 10302 H2 TIP3 2572 32.694 22.386 -3.094 1.00 0.00 WT1 H ATOM 10303 OH2 TIP3 2573 35.729 64.707 -16.817 1.00 0.00 WT1 O ATOM 10304 H1 TIP3 2573 35.982 64.416 -15.941 1.00 0.00 WT1 H ATOM 10305 H2 TIP3 2573 36.011 65.621 -16.858 1.00 0.00 WT1 H ATOM 10306 OH2 TIP3 2574 41.366 91.320 10.976 1.00 0.00 WT1 O ATOM 10307 H1 TIP3 2574 41.560 90.436 11.288 1.00 0.00 WT1 H ATOM 10308 H2 TIP3 2574 41.262 91.222 10.029 1.00 0.00 WT1 H ATOM 10309 OH2 TIP3 2577 75.800 78.575 -16.772 1.00 0.00 WT1 O ATOM 10310 H1 TIP3 2577 75.139 78.928 -16.176 1.00 0.00 WT1 H ATOM 10311 H2 TIP3 2577 75.997 77.705 -16.424 1.00 0.00 WT1 H ATOM 10312 OH2 TIP3 2578 35.500 82.534 44.967 1.00 0.00 WT1 O ATOM 10313 H1 TIP3 2578 36.184 82.961 44.451 1.00 0.00 WT1 H ATOM 10314 H2 TIP3 2578 35.253 81.767 44.450 1.00 0.00 WT1 H ATOM 10315 OH2 TIP3 2580 55.095 49.567 58.496 1.00 0.00 WT1 O ATOM 10316 H1 TIP3 2580 55.182 50.291 57.876 1.00 0.00 WT1 H ATOM 10317 H2 TIP3 2580 55.163 48.780 57.956 1.00 0.00 WT1 H ATOM 10318 OH2 TIP3 2581 43.465 50.387 0.519 1.00 0.00 WT1 O ATOM 10319 H1 TIP3 2581 42.993 50.944 1.138 1.00 0.00 WT1 H ATOM 10320 H2 TIP3 2581 43.592 49.561 0.986 1.00 0.00 WT1 H ATOM 10321 OH2 TIP3 2582 62.336 25.602 12.388 1.00 0.00 WT1 O ATOM 10322 H1 TIP3 2582 62.033 25.554 13.294 1.00 0.00 WT1 H ATOM 10323 H2 TIP3 2582 61.536 25.707 11.872 1.00 0.00 WT1 H ATOM 10324 OH2 TIP3 2583 35.140 41.727 18.740 1.00 0.00 WT1 O ATOM 10325 H1 TIP3 2583 35.705 41.478 18.008 1.00 0.00 WT1 H ATOM 10326 H2 TIP3 2583 34.500 41.018 18.801 1.00 0.00 WT1 H ATOM 10327 OH2 TIP3 2584 37.843 9.761 63.851 1.00 0.00 WT1 O ATOM 10328 H1 TIP3 2584 38.534 10.212 64.337 1.00 0.00 WT1 H ATOM 10329 H2 TIP3 2584 37.554 9.063 64.438 1.00 0.00 WT1 H ATOM 10330 OH2 TIP3 2585 33.813 37.978 6.567 1.00 0.00 WT1 O ATOM 10331 H1 TIP3 2585 33.450 37.094 6.625 1.00 0.00 WT1 H ATOM 10332 H2 TIP3 2585 34.446 37.932 5.851 1.00 0.00 WT1 H ATOM 10333 OH2 TIP3 2587 45.158 77.655 24.198 1.00 0.00 WT1 O ATOM 10334 H1 TIP3 2587 45.999 77.804 23.766 1.00 0.00 WT1 H ATOM 10335 H2 TIP3 2587 45.194 76.744 24.487 1.00 0.00 WT1 H ATOM 10336 OH2 TIP3 2588 30.103 65.245 57.975 1.00 0.00 WT1 O ATOM 10337 H1 TIP3 2588 30.567 64.947 58.757 1.00 0.00 WT1 H ATOM 10338 H2 TIP3 2588 29.307 65.658 58.311 1.00 0.00 WT1 H ATOM 10339 OH2 TIP3 2589 24.031 19.019 53.386 1.00 0.00 WT1 O ATOM 10340 H1 TIP3 2589 23.740 19.244 52.502 1.00 0.00 WT1 H ATOM 10341 H2 TIP3 2589 23.222 18.848 53.869 1.00 0.00 WT1 H ATOM 10342 OH2 TIP3 2590 36.563 7.398 16.854 1.00 0.00 WT1 O ATOM 10343 H1 TIP3 2590 36.177 8.271 16.922 1.00 0.00 WT1 H ATOM 10344 H2 TIP3 2590 36.896 7.214 17.732 1.00 0.00 WT1 H ATOM 10345 OH2 TIP3 2591 73.270 25.959 28.929 1.00 0.00 WT1 O ATOM 10346 H1 TIP3 2591 73.910 25.253 28.841 1.00 0.00 WT1 H ATOM 10347 H2 TIP3 2591 73.624 26.672 28.398 1.00 0.00 WT1 H ATOM 10348 OH2 TIP3 2592 32.641 37.195 44.925 1.00 0.00 WT1 O ATOM 10349 H1 TIP3 2592 33.336 37.072 45.572 1.00 0.00 WT1 H ATOM 10350 H2 TIP3 2592 32.891 37.988 44.452 1.00 0.00 WT1 H ATOM 10351 OH2 TIP3 2594 40.515 51.768 17.207 1.00 0.00 WT1 O ATOM 10352 H1 TIP3 2594 40.859 52.656 17.112 1.00 0.00 WT1 H ATOM 10353 H2 TIP3 2594 40.983 51.409 17.961 1.00 0.00 WT1 H ATOM 10354 OH2 TIP3 2595 52.432 66.472 18.275 1.00 0.00 WT1 O ATOM 10355 H1 TIP3 2595 51.757 67.115 18.494 1.00 0.00 WT1 H ATOM 10356 H2 TIP3 2595 51.944 65.692 18.012 1.00 0.00 WT1 H ATOM 10357 OH2 TIP3 2597 47.041 40.780 -2.465 1.00 0.00 WT1 O ATOM 10358 H1 TIP3 2597 46.480 41.205 -3.114 1.00 0.00 WT1 H ATOM 10359 H2 TIP3 2597 46.793 41.182 -1.633 1.00 0.00 WT1 H ATOM 10360 OH2 TIP3 2598 67.062 43.706 25.147 1.00 0.00 WT1 O ATOM 10361 H1 TIP3 2598 66.414 43.001 25.126 1.00 0.00 WT1 H ATOM 10362 H2 TIP3 2598 66.546 44.508 25.066 1.00 0.00 WT1 H ATOM 10363 OH2 TIP3 2599 78.196 63.448 18.465 1.00 0.00 WT1 O ATOM 10364 H1 TIP3 2599 78.268 64.227 17.914 1.00 0.00 WT1 H ATOM 10365 H2 TIP3 2599 77.344 63.074 18.243 1.00 0.00 WT1 H ATOM 10366 OH2 TIP3 2600 64.599 17.554 -16.529 1.00 0.00 WT1 O ATOM 10367 H1 TIP3 2600 64.573 17.430 -17.478 1.00 0.00 WT1 H ATOM 10368 H2 TIP3 2600 65.448 17.962 -16.363 1.00 0.00 WT1 H ATOM 10369 OH2 TIP3 2601 66.429 87.932 14.573 1.00 0.00 WT1 O ATOM 10370 H1 TIP3 2601 65.848 88.448 15.132 1.00 0.00 WT1 H ATOM 10371 H2 TIP3 2601 65.844 87.506 13.947 1.00 0.00 WT1 H ATOM 10372 OH2 TIP3 2602 37.953 65.631 64.293 1.00 0.00 WT1 O ATOM 10373 H1 TIP3 2602 37.694 66.328 64.895 1.00 0.00 WT1 H ATOM 10374 H2 TIP3 2602 38.907 65.699 64.243 1.00 0.00 WT1 H ATOM 10375 OH2 TIP3 2603 66.483 68.098 42.048 1.00 0.00 WT1 O ATOM 10376 H1 TIP3 2603 66.985 68.030 42.860 1.00 0.00 WT1 H ATOM 10377 H2 TIP3 2603 65.757 68.684 42.263 1.00 0.00 WT1 H ATOM 10378 OH2 TIP3 2605 57.868 46.539 38.072 1.00 0.00 WT1 O ATOM 10379 H1 TIP3 2605 57.522 47.170 37.441 1.00 0.00 WT1 H ATOM 10380 H2 TIP3 2605 58.646 46.963 38.433 1.00 0.00 WT1 H ATOM 10381 OH2 TIP3 2606 62.573 11.627 8.284 1.00 0.00 WT1 O ATOM 10382 H1 TIP3 2606 61.687 11.339 8.068 1.00 0.00 WT1 H ATOM 10383 H2 TIP3 2606 62.446 12.386 8.854 1.00 0.00 WT1 H ATOM 10384 OH2 TIP3 2607 50.631 74.233 5.012 1.00 0.00 WT1 O ATOM 10385 H1 TIP3 2607 51.017 73.447 5.398 1.00 0.00 WT1 H ATOM 10386 H2 TIP3 2607 50.655 74.882 5.715 1.00 0.00 WT1 H ATOM 10387 OH2 TIP3 2608 75.103 73.558 63.966 1.00 0.00 WT1 O ATOM 10388 H1 TIP3 2608 74.154 73.671 64.026 1.00 0.00 WT1 H ATOM 10389 H2 TIP3 2608 75.422 74.391 63.618 1.00 0.00 WT1 H ATOM 10390 OH2 TIP3 2609 44.268 23.391 -7.562 1.00 0.00 WT1 O ATOM 10391 H1 TIP3 2609 43.626 23.433 -6.854 1.00 0.00 WT1 H ATOM 10392 H2 TIP3 2609 43.893 23.930 -8.259 1.00 0.00 WT1 H ATOM 10393 OH2 TIP3 2610 53.582 2.808 11.889 1.00 0.00 WT1 O ATOM 10394 H1 TIP3 2610 52.712 3.090 11.605 1.00 0.00 WT1 H ATOM 10395 H2 TIP3 2610 53.415 2.209 12.616 1.00 0.00 WT1 H ATOM 10396 OH2 TIP3 2611 29.739 27.126 31.000 1.00 0.00 WT1 O ATOM 10397 H1 TIP3 2611 30.304 27.735 31.477 1.00 0.00 WT1 H ATOM 10398 H2 TIP3 2611 29.140 27.688 30.510 1.00 0.00 WT1 H ATOM 10399 OH2 TIP3 2612 44.328 53.303 10.890 1.00 0.00 WT1 O ATOM 10400 H1 TIP3 2612 45.275 53.280 10.754 1.00 0.00 WT1 H ATOM 10401 H2 TIP3 2612 44.211 53.853 11.664 1.00 0.00 WT1 H ATOM 10402 OH2 TIP3 2613 89.553 53.872 -14.647 1.00 0.00 WT1 O ATOM 10403 H1 TIP3 2613 90.360 53.992 -14.146 1.00 0.00 WT1 H ATOM 10404 H2 TIP3 2613 89.849 53.643 -15.528 1.00 0.00 WT1 H ATOM 10405 OH2 TIP3 2614 53.854 53.601 15.847 1.00 0.00 WT1 O ATOM 10406 H1 TIP3 2614 54.464 52.872 15.961 1.00 0.00 WT1 H ATOM 10407 H2 TIP3 2614 52.999 53.237 16.076 1.00 0.00 WT1 H ATOM 10408 OH2 TIP3 2615 89.443 44.382 19.834 1.00 0.00 WT1 O ATOM 10409 H1 TIP3 2615 88.645 44.723 19.430 1.00 0.00 WT1 H ATOM 10410 H2 TIP3 2615 90.155 44.768 19.325 1.00 0.00 WT1 H ATOM 10411 OH2 TIP3 2616 78.290 38.090 59.487 1.00 0.00 WT1 O ATOM 10412 H1 TIP3 2616 78.748 38.471 58.737 1.00 0.00 WT1 H ATOM 10413 H2 TIP3 2616 77.362 38.178 59.271 1.00 0.00 WT1 H ATOM 10414 OH2 TIP3 2617 42.213 81.384 49.826 1.00 0.00 WT1 O ATOM 10415 H1 TIP3 2617 41.699 82.190 49.781 1.00 0.00 WT1 H ATOM 10416 H2 TIP3 2617 41.562 80.682 49.809 1.00 0.00 WT1 H ATOM 10417 OH2 TIP3 2618 44.284 37.519 -12.510 1.00 0.00 WT1 O ATOM 10418 H1 TIP3 2618 44.957 37.099 -11.973 1.00 0.00 WT1 H ATOM 10419 H2 TIP3 2618 44.511 38.449 -12.494 1.00 0.00 WT1 H ATOM 10420 OH2 TIP3 2620 49.543 19.669 6.976 1.00 0.00 WT1 O ATOM 10421 H1 TIP3 2620 50.198 19.373 7.609 1.00 0.00 WT1 H ATOM 10422 H2 TIP3 2620 48.784 19.905 7.510 1.00 0.00 WT1 H ATOM 10423 OH2 TIP3 2623 90.087 92.202 55.973 1.00 0.00 WT1 O ATOM 10424 H1 TIP3 2623 90.500 92.906 55.473 1.00 0.00 WT1 H ATOM 10425 H2 TIP3 2623 90.692 92.033 56.695 1.00 0.00 WT1 H ATOM 10426 OH2 TIP3 2625 33.521 67.803 31.049 1.00 0.00 WT1 O ATOM 10427 H1 TIP3 2625 33.925 67.808 30.181 1.00 0.00 WT1 H ATOM 10428 H2 TIP3 2625 34.255 67.699 31.655 1.00 0.00 WT1 H ATOM 10429 OH2 TIP3 2626 35.126 92.121 -9.074 1.00 0.00 WT1 O ATOM 10430 H1 TIP3 2626 34.729 92.992 -9.060 1.00 0.00 WT1 H ATOM 10431 H2 TIP3 2626 34.838 91.712 -8.258 1.00 0.00 WT1 H ATOM 10432 OH2 TIP3 2627 71.850 76.546 47.156 1.00 0.00 WT1 O ATOM 10433 H1 TIP3 2627 71.663 75.609 47.220 1.00 0.00 WT1 H ATOM 10434 H2 TIP3 2627 72.574 76.603 46.533 1.00 0.00 WT1 H ATOM 10435 OH2 TIP3 2628 37.004 53.501 34.528 1.00 0.00 WT1 O ATOM 10436 H1 TIP3 2628 37.594 54.111 34.086 1.00 0.00 WT1 H ATOM 10437 H2 TIP3 2628 36.507 53.093 33.819 1.00 0.00 WT1 H ATOM 10438 OH2 TIP3 2629 35.392 19.657 54.498 1.00 0.00 WT1 O ATOM 10439 H1 TIP3 2629 36.271 19.463 54.825 1.00 0.00 WT1 H ATOM 10440 H2 TIP3 2629 35.290 19.091 53.732 1.00 0.00 WT1 H ATOM 10441 OH2 TIP3 2631 26.760 41.971 1.837 1.00 0.00 WT1 O ATOM 10442 H1 TIP3 2631 26.475 41.278 2.432 1.00 0.00 WT1 H ATOM 10443 H2 TIP3 2631 26.095 42.653 1.927 1.00 0.00 WT1 H ATOM 10444 OH2 TIP3 2632 80.149 45.492 11.179 1.00 0.00 WT1 O ATOM 10445 H1 TIP3 2632 79.782 46.376 11.188 1.00 0.00 WT1 H ATOM 10446 H2 TIP3 2632 81.013 45.595 10.779 1.00 0.00 WT1 H ATOM 10447 OH2 TIP3 2634 29.034 92.494 4.846 1.00 0.00 WT1 O ATOM 10448 H1 TIP3 2634 28.333 92.540 4.196 1.00 0.00 WT1 H ATOM 10449 H2 TIP3 2634 28.636 92.050 5.596 1.00 0.00 WT1 H ATOM 10450 OH2 TIP3 2635 89.373 0.473 -13.667 1.00 0.00 WT1 O ATOM 10451 H1 TIP3 2635 89.679 1.352 -13.443 1.00 0.00 WT1 H ATOM 10452 H2 TIP3 2635 88.428 0.503 -13.519 1.00 0.00 WT1 H ATOM 10453 OH2 TIP3 2637 57.092 51.863 21.381 1.00 0.00 WT1 O ATOM 10454 H1 TIP3 2637 57.348 51.134 20.816 1.00 0.00 WT1 H ATOM 10455 H2 TIP3 2637 56.348 51.529 21.882 1.00 0.00 WT1 H ATOM 10456 OH2 TIP3 2638 31.983 53.778 0.538 1.00 0.00 WT1 O ATOM 10457 H1 TIP3 2638 32.302 52.883 0.424 1.00 0.00 WT1 H ATOM 10458 H2 TIP3 2638 32.157 53.980 1.458 1.00 0.00 WT1 H ATOM 10459 OH2 TIP3 2639 50.042 23.240 47.745 1.00 0.00 WT1 O ATOM 10460 H1 TIP3 2639 49.771 22.322 47.776 1.00 0.00 WT1 H ATOM 10461 H2 TIP3 2639 50.059 23.454 46.812 1.00 0.00 WT1 H ATOM 10462 OH2 TIP3 2641 26.914 87.691 51.726 1.00 0.00 WT1 O ATOM 10463 H1 TIP3 2641 27.029 88.637 51.632 1.00 0.00 WT1 H ATOM 10464 H2 TIP3 2641 27.066 87.343 50.847 1.00 0.00 WT1 H ATOM 10465 OH2 TIP3 2642 77.378 46.795 31.846 1.00 0.00 WT1 O ATOM 10466 H1 TIP3 2642 77.735 45.975 31.506 1.00 0.00 WT1 H ATOM 10467 H2 TIP3 2642 76.536 46.893 31.401 1.00 0.00 WT1 H ATOM 10468 OH2 TIP3 2644 81.316 69.975 26.326 1.00 0.00 WT1 O ATOM 10469 H1 TIP3 2644 81.292 69.306 25.642 1.00 0.00 WT1 H ATOM 10470 H2 TIP3 2644 80.398 70.116 26.557 1.00 0.00 WT1 H ATOM 10471 OH2 TIP3 2646 84.819 23.182 42.982 1.00 0.00 WT1 O ATOM 10472 H1 TIP3 2646 84.670 23.715 42.202 1.00 0.00 WT1 H ATOM 10473 H2 TIP3 2646 84.583 23.754 43.713 1.00 0.00 WT1 H ATOM 10474 OH2 TIP3 2647 74.329 95.168 -17.095 1.00 0.00 WT1 O ATOM 10475 H1 TIP3 2647 74.525 94.344 -17.541 1.00 0.00 WT1 H ATOM 10476 H2 TIP3 2647 75.126 95.688 -17.190 1.00 0.00 WT1 H ATOM 10477 OH2 TIP3 2648 78.442 84.069 -5.779 1.00 0.00 WT1 O ATOM 10478 H1 TIP3 2648 77.505 83.940 -5.924 1.00 0.00 WT1 H ATOM 10479 H2 TIP3 2648 78.652 83.496 -5.042 1.00 0.00 WT1 H ATOM 10480 OH2 TIP3 2649 36.228 7.462 61.563 1.00 0.00 WT1 O ATOM 10481 H1 TIP3 2649 35.464 7.294 62.115 1.00 0.00 WT1 H ATOM 10482 H2 TIP3 2649 36.939 7.630 62.181 1.00 0.00 WT1 H ATOM 10483 OH2 TIP3 2650 35.739 70.995 8.737 1.00 0.00 WT1 O ATOM 10484 H1 TIP3 2650 35.298 70.813 9.567 1.00 0.00 WT1 H ATOM 10485 H2 TIP3 2650 36.455 71.587 8.971 1.00 0.00 WT1 H ATOM 10486 OH2 TIP3 2651 26.357 48.421 -6.672 1.00 0.00 WT1 O ATOM 10487 H1 TIP3 2651 26.473 49.370 -6.723 1.00 0.00 WT1 H ATOM 10488 H2 TIP3 2651 25.873 48.281 -5.858 1.00 0.00 WT1 H ATOM 10489 OH2 TIP3 2653 89.085 84.255 0.612 1.00 0.00 WT1 O ATOM 10490 H1 TIP3 2653 90.003 84.512 0.530 1.00 0.00 WT1 H ATOM 10491 H2 TIP3 2653 89.113 83.312 0.771 1.00 0.00 WT1 H ATOM 10492 OH2 TIP3 2654 26.289 47.270 8.168 1.00 0.00 WT1 O ATOM 10493 H1 TIP3 2654 25.852 48.118 8.095 1.00 0.00 WT1 H ATOM 10494 H2 TIP3 2654 27.053 47.440 8.719 1.00 0.00 WT1 H ATOM 10495 OH2 TIP3 2655 41.453 90.653 16.746 1.00 0.00 WT1 O ATOM 10496 H1 TIP3 2655 41.831 90.089 17.421 1.00 0.00 WT1 H ATOM 10497 H2 TIP3 2655 41.951 90.446 15.954 1.00 0.00 WT1 H ATOM 10498 OH2 TIP3 2656 32.621 15.653 8.781 1.00 0.00 WT1 O ATOM 10499 H1 TIP3 2656 31.713 15.715 9.078 1.00 0.00 WT1 H ATOM 10500 H2 TIP3 2656 32.973 14.890 9.240 1.00 0.00 WT1 H ATOM 10501 OH2 TIP3 2657 89.697 20.213 36.506 1.00 0.00 WT1 O ATOM 10502 H1 TIP3 2657 89.785 20.784 37.269 1.00 0.00 WT1 H ATOM 10503 H2 TIP3 2657 90.224 20.637 35.828 1.00 0.00 WT1 H ATOM 10504 OH2 TIP3 2658 41.157 67.723 18.498 1.00 0.00 WT1 O ATOM 10505 H1 TIP3 2658 41.074 66.916 17.990 1.00 0.00 WT1 H ATOM 10506 H2 TIP3 2658 41.659 67.469 19.272 1.00 0.00 WT1 H ATOM 10507 OH2 TIP3 2659 33.853 90.388 -2.768 1.00 0.00 WT1 O ATOM 10508 H1 TIP3 2659 34.232 91.144 -2.319 1.00 0.00 WT1 H ATOM 10509 H2 TIP3 2659 34.603 89.831 -2.976 1.00 0.00 WT1 H ATOM 10510 OH2 TIP3 2660 55.703 93.962 16.282 1.00 0.00 WT1 O ATOM 10511 H1 TIP3 2660 54.949 94.348 16.728 1.00 0.00 WT1 H ATOM 10512 H2 TIP3 2660 55.378 93.743 15.408 1.00 0.00 WT1 H ATOM 10513 OH2 TIP3 2661 88.064 71.827 15.695 1.00 0.00 WT1 O ATOM 10514 H1 TIP3 2661 87.309 71.773 16.280 1.00 0.00 WT1 H ATOM 10515 H2 TIP3 2661 88.458 70.955 15.730 1.00 0.00 WT1 H ATOM 10516 OH2 TIP3 2662 42.178 2.849 8.683 1.00 0.00 WT1 O ATOM 10517 H1 TIP3 2662 42.551 3.608 9.133 1.00 0.00 WT1 H ATOM 10518 H2 TIP3 2662 41.583 2.459 9.324 1.00 0.00 WT1 H ATOM 10519 OH2 TIP3 2663 81.191 53.022 26.063 1.00 0.00 WT1 O ATOM 10520 H1 TIP3 2663 80.492 52.738 25.474 1.00 0.00 WT1 H ATOM 10521 H2 TIP3 2663 80.785 53.032 26.930 1.00 0.00 WT1 H ATOM 10522 OH2 TIP3 2664 81.407 68.484 8.261 1.00 0.00 WT1 O ATOM 10523 H1 TIP3 2664 80.750 68.061 8.814 1.00 0.00 WT1 H ATOM 10524 H2 TIP3 2664 82.198 67.959 8.384 1.00 0.00 WT1 H ATOM 10525 OH2 TIP3 2665 52.834 78.345 -7.853 1.00 0.00 WT1 O ATOM 10526 H1 TIP3 2665 52.234 79.003 -7.503 1.00 0.00 WT1 H ATOM 10527 H2 TIP3 2665 53.687 78.779 -7.866 1.00 0.00 WT1 H ATOM 10528 OH2 TIP3 2666 41.493 65.788 51.806 1.00 0.00 WT1 O ATOM 10529 H1 TIP3 2666 41.681 65.583 52.723 1.00 0.00 WT1 H ATOM 10530 H2 TIP3 2666 41.202 66.699 51.819 1.00 0.00 WT1 H ATOM 10531 OH2 TIP3 2667 61.217 79.612 50.944 1.00 0.00 WT1 O ATOM 10532 H1 TIP3 2667 60.702 80.269 50.475 1.00 0.00 WT1 H ATOM 10533 H2 TIP3 2667 61.054 79.794 51.869 1.00 0.00 WT1 H ATOM 10534 OH2 TIP3 2668 46.438 81.761 49.406 1.00 0.00 WT1 O ATOM 10535 H1 TIP3 2668 45.781 81.643 50.092 1.00 0.00 WT1 H ATOM 10536 H2 TIP3 2668 46.505 80.903 48.988 1.00 0.00 WT1 H ATOM 10537 OH2 TIP3 2669 73.349 88.353 46.632 1.00 0.00 WT1 O ATOM 10538 H1 TIP3 2669 73.116 87.822 47.394 1.00 0.00 WT1 H ATOM 10539 H2 TIP3 2669 72.602 88.939 46.511 1.00 0.00 WT1 H ATOM 10540 OH2 TIP3 2670 25.474 71.446 39.788 1.00 0.00 WT1 O ATOM 10541 H1 TIP3 2670 26.098 72.019 39.343 1.00 0.00 WT1 H ATOM 10542 H2 TIP3 2670 25.978 70.661 40.002 1.00 0.00 WT1 H ATOM 10543 OH2 TIP3 2672 89.179 31.245 23.312 1.00 0.00 WT1 O ATOM 10544 H1 TIP3 2672 89.727 31.346 22.534 1.00 0.00 WT1 H ATOM 10545 H2 TIP3 2672 89.785 31.339 24.046 1.00 0.00 WT1 H ATOM 10546 OH2 TIP3 2673 78.545 4.236 -8.792 1.00 0.00 WT1 O ATOM 10547 H1 TIP3 2673 78.997 4.986 -9.178 1.00 0.00 WT1 H ATOM 10548 H2 TIP3 2673 78.827 3.489 -9.319 1.00 0.00 WT1 H ATOM 10549 OH2 TIP3 2674 28.868 79.691 22.053 1.00 0.00 WT1 O ATOM 10550 H1 TIP3 2674 28.618 79.122 21.325 1.00 0.00 WT1 H ATOM 10551 H2 TIP3 2674 28.037 79.978 22.430 1.00 0.00 WT1 H ATOM 10552 OH2 TIP3 2675 62.508 52.819 -17.096 1.00 0.00 WT1 O ATOM 10553 H1 TIP3 2675 63.004 53.088 -16.322 1.00 0.00 WT1 H ATOM 10554 H2 TIP3 2675 61.670 53.273 -17.014 1.00 0.00 WT1 H ATOM 10555 OH2 TIP3 2676 58.958 22.207 14.411 1.00 0.00 WT1 O ATOM 10556 H1 TIP3 2676 59.044 21.868 15.302 1.00 0.00 WT1 H ATOM 10557 H2 TIP3 2676 58.020 22.359 14.301 1.00 0.00 WT1 H ATOM 10558 OH2 TIP3 2677 54.541 78.550 34.273 1.00 0.00 WT1 O ATOM 10559 H1 TIP3 2677 55.367 78.087 34.411 1.00 0.00 WT1 H ATOM 10560 H2 TIP3 2677 53.866 77.888 34.420 1.00 0.00 WT1 H ATOM 10561 OH2 TIP3 2678 75.027 60.118 14.567 1.00 0.00 WT1 O ATOM 10562 H1 TIP3 2678 74.682 59.268 14.294 1.00 0.00 WT1 H ATOM 10563 H2 TIP3 2678 74.264 60.695 14.575 1.00 0.00 WT1 H ATOM 10564 OH2 TIP3 2679 28.308 27.516 10.654 1.00 0.00 WT1 O ATOM 10565 H1 TIP3 2679 28.947 27.811 10.005 1.00 0.00 WT1 H ATOM 10566 H2 TIP3 2679 27.627 27.082 10.139 1.00 0.00 WT1 H ATOM 10567 OH2 TIP3 2680 79.948 28.453 16.993 1.00 0.00 WT1 O ATOM 10568 H1 TIP3 2680 80.191 29.337 17.267 1.00 0.00 WT1 H ATOM 10569 H2 TIP3 2680 78.992 28.470 16.948 1.00 0.00 WT1 H ATOM 10570 OH2 TIP3 2681 46.201 17.835 39.569 1.00 0.00 WT1 O ATOM 10571 H1 TIP3 2681 45.674 17.198 40.050 1.00 0.00 WT1 H ATOM 10572 H2 TIP3 2681 45.669 18.631 39.561 1.00 0.00 WT1 H ATOM 10573 OH2 TIP3 2682 87.373 93.169 21.347 1.00 0.00 WT1 O ATOM 10574 H1 TIP3 2682 86.416 93.172 21.350 1.00 0.00 WT1 H ATOM 10575 H2 TIP3 2682 87.610 92.398 20.833 1.00 0.00 WT1 H ATOM 10576 OH2 TIP3 2683 75.928 79.164 -4.595 1.00 0.00 WT1 O ATOM 10577 H1 TIP3 2683 75.956 79.164 -3.638 1.00 0.00 WT1 H ATOM 10578 H2 TIP3 2683 76.833 79.005 -4.861 1.00 0.00 WT1 H ATOM 10579 OH2 TIP3 2684 69.538 24.722 8.465 1.00 0.00 WT1 O ATOM 10580 H1 TIP3 2684 69.216 25.252 7.736 1.00 0.00 WT1 H ATOM 10581 H2 TIP3 2684 69.513 25.312 9.219 1.00 0.00 WT1 H ATOM 10582 OH2 TIP3 2685 74.236 81.469 53.764 1.00 0.00 WT1 O ATOM 10583 H1 TIP3 2685 74.810 80.718 53.613 1.00 0.00 WT1 H ATOM 10584 H2 TIP3 2685 73.386 81.196 53.419 1.00 0.00 WT1 H ATOM 10585 OH2 TIP3 2686 67.645 6.471 -7.767 1.00 0.00 WT1 O ATOM 10586 H1 TIP3 2686 66.723 6.723 -7.710 1.00 0.00 WT1 H ATOM 10587 H2 TIP3 2686 68.080 7.000 -7.099 1.00 0.00 WT1 H ATOM 10588 OH2 TIP3 2688 53.584 20.364 13.511 1.00 0.00 WT1 O ATOM 10589 H1 TIP3 2688 52.639 20.230 13.435 1.00 0.00 WT1 H ATOM 10590 H2 TIP3 2688 53.674 21.264 13.824 1.00 0.00 WT1 H ATOM 10591 OH2 TIP3 2689 52.234 18.093 11.838 1.00 0.00 WT1 O ATOM 10592 H1 TIP3 2689 52.443 18.436 10.970 1.00 0.00 WT1 H ATOM 10593 H2 TIP3 2689 51.523 18.652 12.152 1.00 0.00 WT1 H ATOM 10594 OH2 TIP3 2690 68.326 1.491 51.076 1.00 0.00 WT1 O ATOM 10595 H1 TIP3 2690 68.720 1.791 51.895 1.00 0.00 WT1 H ATOM 10596 H2 TIP3 2690 67.454 1.885 51.071 1.00 0.00 WT1 H ATOM 10597 OH2 TIP3 2691 24.208 95.949 60.979 1.00 0.00 WT1 O ATOM 10598 H1 TIP3 2691 23.878 95.979 61.877 1.00 0.00 WT1 H ATOM 10599 H2 TIP3 2691 24.331 96.868 60.739 1.00 0.00 WT1 H ATOM 10600 OH2 TIP3 2692 46.802 90.534 4.624 1.00 0.00 WT1 O ATOM 10601 H1 TIP3 2692 46.277 89.942 5.163 1.00 0.00 WT1 H ATOM 10602 H2 TIP3 2692 46.679 91.395 5.024 1.00 0.00 WT1 H ATOM 10603 OH2 TIP3 2693 73.563 88.372 24.045 1.00 0.00 WT1 O ATOM 10604 H1 TIP3 2693 72.998 87.838 23.487 1.00 0.00 WT1 H ATOM 10605 H2 TIP3 2693 74.339 87.830 24.190 1.00 0.00 WT1 H ATOM 10606 OH2 TIP3 2694 40.043 20.867 3.495 1.00 0.00 WT1 O ATOM 10607 H1 TIP3 2694 39.811 20.901 4.423 1.00 0.00 WT1 H ATOM 10608 H2 TIP3 2694 40.189 21.780 3.250 1.00 0.00 WT1 H ATOM 10609 OH2 TIP3 2695 41.921 14.777 19.492 1.00 0.00 WT1 O ATOM 10610 H1 TIP3 2695 42.706 14.940 18.970 1.00 0.00 WT1 H ATOM 10611 H2 TIP3 2695 41.274 15.396 19.152 1.00 0.00 WT1 H ATOM 10612 OH2 TIP3 2696 57.890 40.438 -9.605 1.00 0.00 WT1 O ATOM 10613 H1 TIP3 2696 57.289 41.137 -9.349 1.00 0.00 WT1 H ATOM 10614 H2 TIP3 2696 58.761 40.789 -9.419 1.00 0.00 WT1 H ATOM 10615 OH2 TIP3 2697 45.230 20.325 39.387 1.00 0.00 WT1 O ATOM 10616 H1 TIP3 2697 44.793 21.169 39.500 1.00 0.00 WT1 H ATOM 10617 H2 TIP3 2697 45.448 20.290 38.456 1.00 0.00 WT1 H ATOM 10618 OH2 TIP3 2698 38.864 53.079 44.740 1.00 0.00 WT1 O ATOM 10619 H1 TIP3 2698 38.913 53.984 44.433 1.00 0.00 WT1 H ATOM 10620 H2 TIP3 2698 38.284 52.644 44.114 1.00 0.00 WT1 H ATOM 10621 OH2 TIP3 2700 84.426 3.347 53.756 1.00 0.00 WT1 O ATOM 10622 H1 TIP3 2700 84.072 3.591 54.611 1.00 0.00 WT1 H ATOM 10623 H2 TIP3 2700 85.286 2.975 53.950 1.00 0.00 WT1 H ATOM 10624 OH2 TIP3 2701 25.394 70.308 16.609 1.00 0.00 WT1 O ATOM 10625 H1 TIP3 2701 26.263 70.213 17.000 1.00 0.00 WT1 H ATOM 10626 H2 TIP3 2701 24.859 69.647 17.049 1.00 0.00 WT1 H ATOM 10627 OH2 TIP3 2702 45.947 94.288 -19.648 1.00 0.00 WT1 O ATOM 10628 H1 TIP3 2702 46.088 95.231 -19.568 1.00 0.00 WT1 H ATOM 10629 H2 TIP3 2702 45.742 94.000 -18.759 1.00 0.00 WT1 H ATOM 10630 OH2 TIP3 2703 42.510 14.736 35.172 1.00 0.00 WT1 O ATOM 10631 H1 TIP3 2703 43.263 14.761 35.763 1.00 0.00 WT1 H ATOM 10632 H2 TIP3 2703 42.839 15.099 34.349 1.00 0.00 WT1 H ATOM 10633 OH2 TIP3 2705 88.249 86.067 51.075 1.00 0.00 WT1 O ATOM 10634 H1 TIP3 2705 88.536 86.730 51.702 1.00 0.00 WT1 H ATOM 10635 H2 TIP3 2705 87.327 86.271 50.915 1.00 0.00 WT1 H ATOM 10636 OH2 TIP3 2706 53.461 2.235 6.789 1.00 0.00 WT1 O ATOM 10637 H1 TIP3 2706 53.315 1.324 7.044 1.00 0.00 WT1 H ATOM 10638 H2 TIP3 2706 52.630 2.512 6.404 1.00 0.00 WT1 H ATOM 10639 OH2 TIP3 2707 75.649 21.006 46.758 1.00 0.00 WT1 O ATOM 10640 H1 TIP3 2707 75.452 21.393 45.905 1.00 0.00 WT1 H ATOM 10641 H2 TIP3 2707 75.034 21.425 47.360 1.00 0.00 WT1 H ATOM 10642 OH2 TIP3 2708 87.284 17.686 57.915 1.00 0.00 WT1 O ATOM 10643 H1 TIP3 2708 87.951 17.749 58.600 1.00 0.00 WT1 H ATOM 10644 H2 TIP3 2708 86.835 18.531 57.940 1.00 0.00 WT1 H ATOM 10645 OH2 TIP3 2709 52.099 94.849 2.372 1.00 0.00 WT1 O ATOM 10646 H1 TIP3 2709 52.150 93.902 2.501 1.00 0.00 WT1 H ATOM 10647 H2 TIP3 2709 51.564 95.162 3.101 1.00 0.00 WT1 H ATOM 10648 OH2 TIP3 2710 68.273 21.586 55.459 1.00 0.00 WT1 O ATOM 10649 H1 TIP3 2710 68.134 22.256 56.129 1.00 0.00 WT1 H ATOM 10650 H2 TIP3 2710 68.008 20.768 55.878 1.00 0.00 WT1 H ATOM 10651 OH2 TIP3 2711 35.421 64.648 -7.439 1.00 0.00 WT1 O ATOM 10652 H1 TIP3 2711 34.750 65.006 -8.021 1.00 0.00 WT1 H ATOM 10653 H2 TIP3 2711 36.142 64.409 -8.021 1.00 0.00 WT1 H ATOM 10654 OH2 TIP3 2712 89.517 81.586 -10.820 1.00 0.00 WT1 O ATOM 10655 H1 TIP3 2712 88.966 82.007 -10.160 1.00 0.00 WT1 H ATOM 10656 H2 TIP3 2712 90.412 81.807 -10.561 1.00 0.00 WT1 H ATOM 10657 OH2 TIP3 2713 20.993 68.714 53.858 1.00 0.00 WT1 O ATOM 10658 H1 TIP3 2713 20.611 68.755 54.735 1.00 0.00 WT1 H ATOM 10659 H2 TIP3 2713 20.444 68.088 53.386 1.00 0.00 WT1 H ATOM 10660 OH2 TIP3 2714 32.865 45.365 32.903 1.00 0.00 WT1 O ATOM 10661 H1 TIP3 2714 32.518 45.162 32.034 1.00 0.00 WT1 H ATOM 10662 H2 TIP3 2714 33.686 45.826 32.732 1.00 0.00 WT1 H ATOM 10663 OH2 TIP3 2715 60.904 17.997 1.229 1.00 0.00 WT1 O ATOM 10664 H1 TIP3 2715 60.320 18.564 0.727 1.00 0.00 WT1 H ATOM 10665 H2 TIP3 2715 61.674 18.538 1.404 1.00 0.00 WT1 H ATOM 10666 OH2 TIP3 2717 57.064 53.005 -2.807 1.00 0.00 WT1 O ATOM 10667 H1 TIP3 2717 56.635 53.859 -2.861 1.00 0.00 WT1 H ATOM 10668 H2 TIP3 2717 57.503 53.011 -1.956 1.00 0.00 WT1 H ATOM 10669 OH2 TIP3 2718 72.961 13.960 6.036 1.00 0.00 WT1 O ATOM 10670 H1 TIP3 2718 73.852 13.758 5.749 1.00 0.00 WT1 H ATOM 10671 H2 TIP3 2718 72.451 13.996 5.227 1.00 0.00 WT1 H ATOM 10672 OH2 TIP3 2719 28.109 14.484 61.907 1.00 0.00 WT1 O ATOM 10673 H1 TIP3 2719 28.146 14.590 62.857 1.00 0.00 WT1 H ATOM 10674 H2 TIP3 2719 27.605 15.238 61.601 1.00 0.00 WT1 H ATOM 10675 OH2 TIP3 2720 44.971 84.157 16.688 1.00 0.00 WT1 O ATOM 10676 H1 TIP3 2720 44.389 83.398 16.736 1.00 0.00 WT1 H ATOM 10677 H2 TIP3 2720 44.385 84.912 16.739 1.00 0.00 WT1 H ATOM 10678 OH2 TIP3 2721 80.473 1.974 57.138 1.00 0.00 WT1 O ATOM 10679 H1 TIP3 2721 81.418 2.129 57.133 1.00 0.00 WT1 H ATOM 10680 H2 TIP3 2721 80.100 2.774 57.509 1.00 0.00 WT1 H ATOM 10681 OH2 TIP3 2722 51.159 60.905 53.024 1.00 0.00 WT1 O ATOM 10682 H1 TIP3 2722 50.509 61.310 52.449 1.00 0.00 WT1 H ATOM 10683 H2 TIP3 2722 51.875 60.656 52.440 1.00 0.00 WT1 H ATOM 10684 OH2 TIP3 2723 66.803 95.290 -15.431 1.00 0.00 WT1 O ATOM 10685 H1 TIP3 2723 67.311 94.890 -14.725 1.00 0.00 WT1 H ATOM 10686 H2 TIP3 2723 66.104 95.767 -14.983 1.00 0.00 WT1 H ATOM 10687 OH2 TIP3 2724 30.651 2.993 42.856 1.00 0.00 WT1 O ATOM 10688 H1 TIP3 2724 31.138 3.814 42.791 1.00 0.00 WT1 H ATOM 10689 H2 TIP3 2724 30.989 2.456 42.139 1.00 0.00 WT1 H ATOM 10690 OH2 TIP3 2725 90.292 32.960 10.890 1.00 0.00 WT1 O ATOM 10691 H1 TIP3 2725 90.693 33.751 10.531 1.00 0.00 WT1 H ATOM 10692 H2 TIP3 2725 90.760 32.240 10.467 1.00 0.00 WT1 H ATOM 10693 OH2 TIP3 2726 42.474 54.413 54.296 1.00 0.00 WT1 O ATOM 10694 H1 TIP3 2726 42.755 54.469 55.210 1.00 0.00 WT1 H ATOM 10695 H2 TIP3 2726 41.592 54.786 54.293 1.00 0.00 WT1 H ATOM 10696 OH2 TIP3 2727 85.565 53.451 37.175 1.00 0.00 WT1 O ATOM 10697 H1 TIP3 2727 86.046 54.250 37.388 1.00 0.00 WT1 H ATOM 10698 H2 TIP3 2727 85.437 53.493 36.228 1.00 0.00 WT1 H ATOM 10699 OH2 TIP3 2728 79.538 84.578 43.935 1.00 0.00 WT1 O ATOM 10700 H1 TIP3 2728 80.289 84.585 43.341 1.00 0.00 WT1 H ATOM 10701 H2 TIP3 2728 79.025 85.346 43.683 1.00 0.00 WT1 H ATOM 10702 OH2 TIP3 2729 61.730 12.358 -9.538 1.00 0.00 WT1 O ATOM 10703 H1 TIP3 2729 62.168 13.170 -9.796 1.00 0.00 WT1 H ATOM 10704 H2 TIP3 2729 62.397 11.869 -9.056 1.00 0.00 WT1 H ATOM 10705 OH2 TIP3 2730 28.860 11.164 46.623 1.00 0.00 WT1 O ATOM 10706 H1 TIP3 2730 29.499 10.807 47.240 1.00 0.00 WT1 H ATOM 10707 H2 TIP3 2730 28.143 11.479 47.175 1.00 0.00 WT1 H ATOM 10708 OH2 TIP3 2732 31.617 78.487 3.722 1.00 0.00 WT1 O ATOM 10709 H1 TIP3 2732 31.521 78.398 4.670 1.00 0.00 WT1 H ATOM 10710 H2 TIP3 2732 32.558 78.401 3.566 1.00 0.00 WT1 H ATOM 10711 OH2 TIP3 2733 64.609 84.373 54.312 1.00 0.00 WT1 O ATOM 10712 H1 TIP3 2733 65.551 84.211 54.263 1.00 0.00 WT1 H ATOM 10713 H2 TIP3 2733 64.403 84.837 53.500 1.00 0.00 WT1 H ATOM 10714 OH2 TIP3 2734 43.724 90.027 56.833 1.00 0.00 WT1 O ATOM 10715 H1 TIP3 2734 43.425 89.608 56.026 1.00 0.00 WT1 H ATOM 10716 H2 TIP3 2734 43.576 89.371 57.514 1.00 0.00 WT1 H ATOM 10717 OH2 TIP3 2735 34.187 23.012 31.944 1.00 0.00 WT1 O ATOM 10718 H1 TIP3 2735 34.361 23.568 32.704 1.00 0.00 WT1 H ATOM 10719 H2 TIP3 2735 34.295 23.593 31.191 1.00 0.00 WT1 H ATOM 10720 OH2 TIP3 2736 77.592 45.412 2.228 1.00 0.00 WT1 O ATOM 10721 H1 TIP3 2736 78.169 46.176 2.253 1.00 0.00 WT1 H ATOM 10722 H2 TIP3 2736 77.165 45.406 3.085 1.00 0.00 WT1 H ATOM 10723 OH2 TIP3 2737 26.815 15.551 10.613 1.00 0.00 WT1 O ATOM 10724 H1 TIP3 2737 27.080 15.181 11.455 1.00 0.00 WT1 H ATOM 10725 H2 TIP3 2737 26.974 16.491 10.703 1.00 0.00 WT1 H ATOM 10726 OH2 TIP3 2738 25.289 90.501 42.482 1.00 0.00 WT1 O ATOM 10727 H1 TIP3 2738 25.288 90.336 41.540 1.00 0.00 WT1 H ATOM 10728 H2 TIP3 2738 25.487 91.434 42.562 1.00 0.00 WT1 H ATOM 10729 OH2 TIP3 2739 52.621 20.685 2.619 1.00 0.00 WT1 O ATOM 10730 H1 TIP3 2739 52.570 19.768 2.349 1.00 0.00 WT1 H ATOM 10731 H2 TIP3 2739 52.730 20.650 3.569 1.00 0.00 WT1 H ATOM 10732 OH2 TIP3 2740 27.170 78.513 57.423 1.00 0.00 WT1 O ATOM 10733 H1 TIP3 2740 27.742 79.280 57.430 1.00 0.00 WT1 H ATOM 10734 H2 TIP3 2740 26.551 78.681 56.712 1.00 0.00 WT1 H ATOM 10735 OH2 TIP3 2741 25.344 73.160 0.156 1.00 0.00 WT1 O ATOM 10736 H1 TIP3 2741 25.406 74.068 -0.141 1.00 0.00 WT1 H ATOM 10737 H2 TIP3 2741 25.031 72.678 -0.609 1.00 0.00 WT1 H ATOM 10738 OH2 TIP3 2742 67.191 28.581 29.100 1.00 0.00 WT1 O ATOM 10739 H1 TIP3 2742 67.174 29.273 29.762 1.00 0.00 WT1 H ATOM 10740 H2 TIP3 2742 66.277 28.310 29.013 1.00 0.00 WT1 H ATOM 10741 OH2 TIP3 2743 46.889 96.773 -13.099 1.00 0.00 WT1 O ATOM 10742 H1 TIP3 2743 45.995 97.099 -12.994 1.00 0.00 WT1 H ATOM 10743 H2 TIP3 2743 46.862 95.882 -12.749 1.00 0.00 WT1 H ATOM 10744 OH2 TIP3 2744 50.977 18.998 42.972 1.00 0.00 WT1 O ATOM 10745 H1 TIP3 2744 51.024 18.795 43.906 1.00 0.00 WT1 H ATOM 10746 H2 TIP3 2744 50.396 18.329 42.610 1.00 0.00 WT1 H ATOM 10747 OH2 TIP3 2745 41.466 21.083 50.538 1.00 0.00 WT1 O ATOM 10748 H1 TIP3 2745 41.398 21.652 49.771 1.00 0.00 WT1 H ATOM 10749 H2 TIP3 2745 42.125 20.432 50.297 1.00 0.00 WT1 H ATOM 10750 OH2 TIP3 2746 30.281 92.130 30.373 1.00 0.00 WT1 O ATOM 10751 H1 TIP3 2746 29.882 92.561 31.129 1.00 0.00 WT1 H ATOM 10752 H2 TIP3 2746 29.581 91.589 30.008 1.00 0.00 WT1 H ATOM 10753 OH2 TIP3 2747 65.945 2.334 -3.028 1.00 0.00 WT1 O ATOM 10754 H1 TIP3 2747 66.475 3.130 -2.996 1.00 0.00 WT1 H ATOM 10755 H2 TIP3 2747 66.169 1.931 -3.867 1.00 0.00 WT1 H ATOM 10756 OH2 TIP3 2748 26.829 19.944 8.159 1.00 0.00 WT1 O ATOM 10757 H1 TIP3 2748 27.526 20.580 7.997 1.00 0.00 WT1 H ATOM 10758 H2 TIP3 2748 27.249 19.093 8.037 1.00 0.00 WT1 H ATOM 10759 OH2 TIP3 2749 46.216 89.872 -8.497 1.00 0.00 WT1 O ATOM 10760 H1 TIP3 2749 46.861 89.517 -7.885 1.00 0.00 WT1 H ATOM 10761 H2 TIP3 2749 45.370 89.687 -8.089 1.00 0.00 WT1 H ATOM 10762 OH2 TIP3 2750 48.808 85.772 -0.306 1.00 0.00 WT1 O ATOM 10763 H1 TIP3 2750 49.215 84.907 -0.337 1.00 0.00 WT1 H ATOM 10764 H2 TIP3 2750 49.545 86.384 -0.292 1.00 0.00 WT1 H ATOM 10765 OH2 TIP3 2752 23.312 39.490 18.943 1.00 0.00 WT1 O ATOM 10766 H1 TIP3 2752 24.182 39.781 18.669 1.00 0.00 WT1 H ATOM 10767 H2 TIP3 2752 22.711 39.935 18.346 1.00 0.00 WT1 H ATOM 10768 OH2 TIP3 2753 31.094 17.884 13.761 1.00 0.00 WT1 O ATOM 10769 H1 TIP3 2753 30.578 18.676 13.914 1.00 0.00 WT1 H ATOM 10770 H2 TIP3 2753 32.004 18.182 13.788 1.00 0.00 WT1 H ATOM 10771 OH2 TIP3 2754 53.495 25.740 58.830 1.00 0.00 WT1 O ATOM 10772 H1 TIP3 2754 53.382 25.904 57.894 1.00 0.00 WT1 H ATOM 10773 H2 TIP3 2754 54.279 26.235 59.068 1.00 0.00 WT1 H ATOM 10774 OH2 TIP3 2755 41.311 92.072 -3.265 1.00 0.00 WT1 O ATOM 10775 H1 TIP3 2755 40.470 92.475 -3.047 1.00 0.00 WT1 H ATOM 10776 H2 TIP3 2755 41.561 91.597 -2.472 1.00 0.00 WT1 H ATOM 10777 OH2 TIP3 2756 35.420 20.805 -0.031 1.00 0.00 WT1 O ATOM 10778 H1 TIP3 2756 35.326 21.722 0.228 1.00 0.00 WT1 H ATOM 10779 H2 TIP3 2756 36.255 20.532 0.350 1.00 0.00 WT1 H ATOM 10780 OH2 TIP3 2757 83.857 64.413 -15.037 1.00 0.00 WT1 O ATOM 10781 H1 TIP3 2757 83.417 64.357 -15.885 1.00 0.00 WT1 H ATOM 10782 H2 TIP3 2757 83.591 63.618 -14.575 1.00 0.00 WT1 H ATOM 10783 OH2 TIP3 2758 27.137 74.402 7.665 1.00 0.00 WT1 O ATOM 10784 H1 TIP3 2758 27.982 74.047 7.942 1.00 0.00 WT1 H ATOM 10785 H2 TIP3 2758 27.125 74.280 6.716 1.00 0.00 WT1 H ATOM 10786 OH2 TIP3 2760 64.396 32.091 19.613 1.00 0.00 WT1 O ATOM 10787 H1 TIP3 2760 64.790 31.553 20.299 1.00 0.00 WT1 H ATOM 10788 H2 TIP3 2760 63.453 32.013 19.757 1.00 0.00 WT1 H ATOM 10789 OH2 TIP3 2761 48.349 83.017 -5.155 1.00 0.00 WT1 O ATOM 10790 H1 TIP3 2761 49.109 83.012 -4.572 1.00 0.00 WT1 H ATOM 10791 H2 TIP3 2761 48.625 82.505 -5.915 1.00 0.00 WT1 H ATOM 10792 OH2 TIP3 2763 40.213 63.976 40.586 1.00 0.00 WT1 O ATOM 10793 H1 TIP3 2763 39.954 63.892 39.668 1.00 0.00 WT1 H ATOM 10794 H2 TIP3 2763 40.850 64.690 40.591 1.00 0.00 WT1 H ATOM 10795 OH2 TIP3 2764 46.619 51.091 -9.025 1.00 0.00 WT1 O ATOM 10796 H1 TIP3 2764 46.777 51.812 -8.416 1.00 0.00 WT1 H ATOM 10797 H2 TIP3 2764 47.359 50.498 -8.892 1.00 0.00 WT1 H ATOM 10798 OH2 TIP3 2765 38.803 19.722 13.541 1.00 0.00 WT1 O ATOM 10799 H1 TIP3 2765 39.340 18.957 13.746 1.00 0.00 WT1 H ATOM 10800 H2 TIP3 2765 39.196 20.434 14.045 1.00 0.00 WT1 H ATOM 10801 OH2 TIP3 2766 59.322 17.529 59.304 1.00 0.00 WT1 O ATOM 10802 H1 TIP3 2766 59.160 18.445 59.529 1.00 0.00 WT1 H ATOM 10803 H2 TIP3 2766 59.835 17.189 60.037 1.00 0.00 WT1 H ATOM 10804 OH2 TIP3 2767 89.566 61.034 -11.742 1.00 0.00 WT1 O ATOM 10805 H1 TIP3 2767 89.574 60.255 -12.298 1.00 0.00 WT1 H ATOM 10806 H2 TIP3 2767 89.896 61.734 -12.306 1.00 0.00 WT1 H ATOM 10807 OH2 TIP3 2769 35.131 54.622 63.319 1.00 0.00 WT1 O ATOM 10808 H1 TIP3 2769 35.093 55.463 63.774 1.00 0.00 WT1 H ATOM 10809 H2 TIP3 2769 34.276 54.223 63.481 1.00 0.00 WT1 H ATOM 10810 OH2 TIP3 2770 54.524 91.242 -1.467 1.00 0.00 WT1 O ATOM 10811 H1 TIP3 2770 54.548 91.737 -2.286 1.00 0.00 WT1 H ATOM 10812 H2 TIP3 2770 53.633 91.362 -1.140 1.00 0.00 WT1 H ATOM 10813 OH2 TIP3 2771 49.765 70.438 -15.313 1.00 0.00 WT1 O ATOM 10814 H1 TIP3 2771 49.536 71.279 -15.709 1.00 0.00 WT1 H ATOM 10815 H2 TIP3 2771 49.108 70.308 -14.629 1.00 0.00 WT1 H ATOM 10816 OH2 TIP3 2772 46.646 17.747 28.078 1.00 0.00 WT1 O ATOM 10817 H1 TIP3 2772 46.326 17.738 27.176 1.00 0.00 WT1 H ATOM 10818 H2 TIP3 2772 47.254 18.486 28.109 1.00 0.00 WT1 H ATOM 10819 OH2 TIP3 2774 69.380 52.135 -15.794 1.00 0.00 WT1 O ATOM 10820 H1 TIP3 2774 68.736 51.695 -15.238 1.00 0.00 WT1 H ATOM 10821 H2 TIP3 2774 68.862 52.527 -16.497 1.00 0.00 WT1 H ATOM 10822 OH2 TIP3 2775 69.032 28.778 16.015 1.00 0.00 WT1 O ATOM 10823 H1 TIP3 2775 68.983 29.542 16.589 1.00 0.00 WT1 H ATOM 10824 H2 TIP3 2775 69.486 28.116 16.536 1.00 0.00 WT1 H ATOM 10825 OH2 TIP3 2776 58.485 32.297 -5.660 1.00 0.00 WT1 O ATOM 10826 H1 TIP3 2776 58.442 32.267 -4.704 1.00 0.00 WT1 H ATOM 10827 H2 TIP3 2776 57.712 32.800 -5.918 1.00 0.00 WT1 H ATOM 10828 OH2 TIP3 2777 44.378 83.943 52.674 1.00 0.00 WT1 O ATOM 10829 H1 TIP3 2777 45.089 83.686 53.262 1.00 0.00 WT1 H ATOM 10830 H2 TIP3 2777 44.327 83.233 52.034 1.00 0.00 WT1 H ATOM 10831 OH2 TIP3 2778 21.623 36.600 20.124 1.00 0.00 WT1 O ATOM 10832 H1 TIP3 2778 20.724 36.803 19.865 1.00 0.00 WT1 H ATOM 10833 H2 TIP3 2778 21.816 37.218 20.829 1.00 0.00 WT1 H ATOM 10834 OH2 TIP3 2779 89.638 73.546 44.865 1.00 0.00 WT1 O ATOM 10835 H1 TIP3 2779 89.866 73.216 43.996 1.00 0.00 WT1 H ATOM 10836 H2 TIP3 2779 88.696 73.396 44.940 1.00 0.00 WT1 H ATOM 10837 OH2 TIP3 2780 45.409 32.508 -14.421 1.00 0.00 WT1 O ATOM 10838 H1 TIP3 2780 46.190 32.807 -13.955 1.00 0.00 WT1 H ATOM 10839 H2 TIP3 2780 44.719 32.511 -13.758 1.00 0.00 WT1 H ATOM 10840 OH2 TIP3 2781 23.290 5.852 65.834 1.00 0.00 WT1 O ATOM 10841 H1 TIP3 2781 22.401 6.173 65.681 1.00 0.00 WT1 H ATOM 10842 H2 TIP3 2781 23.348 5.051 65.313 1.00 0.00 WT1 H ATOM 10843 OH2 TIP3 2784 52.720 29.786 0.955 1.00 0.00 WT1 O ATOM 10844 H1 TIP3 2784 52.202 29.725 0.153 1.00 0.00 WT1 H ATOM 10845 H2 TIP3 2784 52.087 30.020 1.633 1.00 0.00 WT1 H ATOM 10846 OH2 TIP3 2785 70.318 37.176 53.914 1.00 0.00 WT1 O ATOM 10847 H1 TIP3 2785 70.228 38.129 53.916 1.00 0.00 WT1 H ATOM 10848 H2 TIP3 2785 70.528 36.953 54.821 1.00 0.00 WT1 H ATOM 10849 OH2 TIP3 2786 55.316 83.089 34.651 1.00 0.00 WT1 O ATOM 10850 H1 TIP3 2786 54.388 82.913 34.495 1.00 0.00 WT1 H ATOM 10851 H2 TIP3 2786 55.754 82.797 33.852 1.00 0.00 WT1 H ATOM 10852 OH2 TIP3 2788 57.961 0.915 54.983 1.00 0.00 WT1 O ATOM 10853 H1 TIP3 2788 57.314 0.218 54.874 1.00 0.00 WT1 H ATOM 10854 H2 TIP3 2788 57.531 1.555 55.550 1.00 0.00 WT1 H ATOM 10855 OH2 TIP3 2789 86.051 42.923 34.198 1.00 0.00 WT1 O ATOM 10856 H1 TIP3 2789 86.576 43.300 33.492 1.00 0.00 WT1 H ATOM 10857 H2 TIP3 2789 86.322 43.404 34.981 1.00 0.00 WT1 H ATOM 10858 OH2 TIP3 2791 68.192 13.049 1.544 1.00 0.00 WT1 O ATOM 10859 H1 TIP3 2791 68.260 12.351 2.196 1.00 0.00 WT1 H ATOM 10860 H2 TIP3 2791 68.337 13.855 2.038 1.00 0.00 WT1 H ATOM 10861 OH2 TIP3 2792 50.743 18.519 33.272 1.00 0.00 WT1 O ATOM 10862 H1 TIP3 2792 51.688 18.511 33.426 1.00 0.00 WT1 H ATOM 10863 H2 TIP3 2792 50.597 17.815 32.640 1.00 0.00 WT1 H ATOM 10864 OH2 TIP3 2794 64.519 43.999 -1.468 1.00 0.00 WT1 O ATOM 10865 H1 TIP3 2794 64.439 44.945 -1.346 1.00 0.00 WT1 H ATOM 10866 H2 TIP3 2794 65.459 43.849 -1.573 1.00 0.00 WT1 H ATOM 10867 OH2 TIP3 2795 21.384 45.163 54.172 1.00 0.00 WT1 O ATOM 10868 H1 TIP3 2795 21.972 45.783 54.604 1.00 0.00 WT1 H ATOM 10869 H2 TIP3 2795 21.944 44.690 53.557 1.00 0.00 WT1 H ATOM 10870 OH2 TIP3 2796 36.987 61.482 5.855 1.00 0.00 WT1 O ATOM 10871 H1 TIP3 2796 36.261 61.619 6.464 1.00 0.00 WT1 H ATOM 10872 H2 TIP3 2796 37.307 60.603 6.056 1.00 0.00 WT1 H ATOM 10873 OH2 TIP3 2797 50.000 12.182 64.054 1.00 0.00 WT1 O ATOM 10874 H1 TIP3 2797 50.216 12.387 64.963 1.00 0.00 WT1 H ATOM 10875 H2 TIP3 2797 50.723 12.551 63.547 1.00 0.00 WT1 H ATOM 10876 OH2 TIP3 2798 38.644 94.233 -17.638 1.00 0.00 WT1 O ATOM 10877 H1 TIP3 2798 38.564 93.287 -17.761 1.00 0.00 WT1 H ATOM 10878 H2 TIP3 2798 37.864 94.597 -18.058 1.00 0.00 WT1 H ATOM 10879 OH2 TIP3 2800 33.548 34.077 20.177 1.00 0.00 WT1 O ATOM 10880 H1 TIP3 2800 34.372 34.432 20.510 1.00 0.00 WT1 H ATOM 10881 H2 TIP3 2800 32.918 34.233 20.880 1.00 0.00 WT1 H ATOM 10882 OH2 TIP3 2801 44.083 61.530 8.940 1.00 0.00 WT1 O ATOM 10883 H1 TIP3 2801 44.867 62.062 8.801 1.00 0.00 WT1 H ATOM 10884 H2 TIP3 2801 44.353 60.868 9.576 1.00 0.00 WT1 H ATOM 10885 OH2 TIP3 2802 79.168 40.182 51.146 1.00 0.00 WT1 O ATOM 10886 H1 TIP3 2802 79.176 40.786 51.888 1.00 0.00 WT1 H ATOM 10887 H2 TIP3 2802 79.342 39.324 51.533 1.00 0.00 WT1 H ATOM 10888 OH2 TIP3 2804 80.119 28.392 32.239 1.00 0.00 WT1 O ATOM 10889 H1 TIP3 2804 79.561 27.907 32.849 1.00 0.00 WT1 H ATOM 10890 H2 TIP3 2804 80.438 29.137 32.748 1.00 0.00 WT1 H ATOM 10891 OH2 TIP3 2806 35.726 22.255 43.791 1.00 0.00 WT1 O ATOM 10892 H1 TIP3 2806 35.928 21.587 44.447 1.00 0.00 WT1 H ATOM 10893 H2 TIP3 2806 35.472 21.758 43.013 1.00 0.00 WT1 H ATOM 10894 OH2 TIP3 2809 30.096 18.510 28.109 1.00 0.00 WT1 O ATOM 10895 H1 TIP3 2809 29.443 18.830 27.486 1.00 0.00 WT1 H ATOM 10896 H2 TIP3 2809 30.223 17.592 27.872 1.00 0.00 WT1 H ATOM 10897 OH2 TIP3 2810 79.826 76.772 32.766 1.00 0.00 WT1 O ATOM 10898 H1 TIP3 2810 79.746 77.184 33.626 1.00 0.00 WT1 H ATOM 10899 H2 TIP3 2810 79.983 77.500 32.164 1.00 0.00 WT1 H ATOM 10900 OH2 TIP3 2811 65.029 27.252 54.575 1.00 0.00 WT1 O ATOM 10901 H1 TIP3 2811 64.351 26.687 54.946 1.00 0.00 WT1 H ATOM 10902 H2 TIP3 2811 65.795 26.684 54.490 1.00 0.00 WT1 H ATOM 10903 OH2 TIP3 2812 35.917 72.762 25.591 1.00 0.00 WT1 O ATOM 10904 H1 TIP3 2812 36.839 72.927 25.392 1.00 0.00 WT1 H ATOM 10905 H2 TIP3 2812 35.701 71.973 25.094 1.00 0.00 WT1 H ATOM 10906 OH2 TIP3 2813 22.712 76.753 34.202 1.00 0.00 WT1 O ATOM 10907 H1 TIP3 2813 22.585 77.475 33.586 1.00 0.00 WT1 H ATOM 10908 H2 TIP3 2813 23.656 76.735 34.359 1.00 0.00 WT1 H ATOM 10909 OH2 TIP3 2814 65.475 44.909 -16.672 1.00 0.00 WT1 O ATOM 10910 H1 TIP3 2814 64.812 44.554 -16.080 1.00 0.00 WT1 H ATOM 10911 H2 TIP3 2814 65.429 45.857 -16.543 1.00 0.00 WT1 H ATOM 10912 OH2 TIP3 2815 44.130 86.640 12.841 1.00 0.00 WT1 O ATOM 10913 H1 TIP3 2815 43.933 85.944 12.214 1.00 0.00 WT1 H ATOM 10914 H2 TIP3 2815 44.772 86.254 13.436 1.00 0.00 WT1 H ATOM 10915 OH2 TIP3 2816 86.070 19.041 9.058 1.00 0.00 WT1 O ATOM 10916 H1 TIP3 2816 86.571 19.396 9.793 1.00 0.00 WT1 H ATOM 10917 H2 TIP3 2816 85.359 19.667 8.927 1.00 0.00 WT1 H ATOM 10918 OH2 TIP3 2817 73.258 9.271 59.254 1.00 0.00 WT1 O ATOM 10919 H1 TIP3 2817 73.470 8.399 59.587 1.00 0.00 WT1 H ATOM 10920 H2 TIP3 2817 72.883 9.731 60.005 1.00 0.00 WT1 H ATOM 10921 OH2 TIP3 2818 34.162 15.140 0.073 1.00 0.00 WT1 O ATOM 10922 H1 TIP3 2818 33.485 15.784 0.281 1.00 0.00 WT1 H ATOM 10923 H2 TIP3 2818 33.975 14.878 -0.829 1.00 0.00 WT1 H ATOM 10924 OH2 TIP3 2819 50.457 66.709 -10.381 1.00 0.00 WT1 O ATOM 10925 H1 TIP3 2819 51.002 66.192 -9.787 1.00 0.00 WT1 H ATOM 10926 H2 TIP3 2819 49.569 66.615 -10.035 1.00 0.00 WT1 H ATOM 10927 OH2 TIP3 2820 36.436 29.063 27.442 1.00 0.00 WT1 O ATOM 10928 H1 TIP3 2820 37.372 29.210 27.305 1.00 0.00 WT1 H ATOM 10929 H2 TIP3 2820 36.270 29.383 28.328 1.00 0.00 WT1 H ATOM 10930 OH2 TIP3 2821 39.280 0.017 29.091 1.00 0.00 WT1 O ATOM 10931 H1 TIP3 2821 40.236 0.044 29.046 1.00 0.00 WT1 H ATOM 10932 H2 TIP3 2821 39.069 0.396 29.944 1.00 0.00 WT1 H ATOM 10933 OH2 TIP3 2822 78.308 52.696 -5.469 1.00 0.00 WT1 O ATOM 10934 H1 TIP3 2822 78.779 53.274 -4.869 1.00 0.00 WT1 H ATOM 10935 H2 TIP3 2822 77.971 51.995 -4.912 1.00 0.00 WT1 H ATOM 10936 OH2 TIP3 2823 79.971 1.063 2.138 1.00 0.00 WT1 O ATOM 10937 H1 TIP3 2823 79.139 0.768 1.769 1.00 0.00 WT1 H ATOM 10938 H2 TIP3 2823 80.628 0.503 1.724 1.00 0.00 WT1 H ATOM 10939 OH2 TIP3 2824 45.709 24.807 33.103 1.00 0.00 WT1 O ATOM 10940 H1 TIP3 2824 45.188 24.218 32.558 1.00 0.00 WT1 H ATOM 10941 H2 TIP3 2824 46.516 24.321 33.277 1.00 0.00 WT1 H ATOM 10942 OH2 TIP3 2825 50.599 40.615 27.661 1.00 0.00 WT1 O ATOM 10943 H1 TIP3 2825 50.455 39.695 27.439 1.00 0.00 WT1 H ATOM 10944 H2 TIP3 2825 50.638 41.063 26.816 1.00 0.00 WT1 H ATOM 10945 OH2 TIP3 2826 32.540 33.336 6.104 1.00 0.00 WT1 O ATOM 10946 H1 TIP3 2826 32.787 32.611 6.677 1.00 0.00 WT1 H ATOM 10947 H2 TIP3 2826 31.583 33.353 6.138 1.00 0.00 WT1 H ATOM 10948 OH2 TIP3 2827 22.806 14.256 41.017 1.00 0.00 WT1 O ATOM 10949 H1 TIP3 2827 23.049 13.710 41.765 1.00 0.00 WT1 H ATOM 10950 H2 TIP3 2827 22.110 14.823 41.350 1.00 0.00 WT1 H ATOM 10951 OH2 TIP3 2830 30.135 8.232 58.902 1.00 0.00 WT1 O ATOM 10952 H1 TIP3 2830 29.968 9.173 58.847 1.00 0.00 WT1 H ATOM 10953 H2 TIP3 2830 30.592 8.022 58.088 1.00 0.00 WT1 H ATOM 10954 OH2 TIP3 2831 87.468 56.218 1.552 1.00 0.00 WT1 O ATOM 10955 H1 TIP3 2831 87.289 56.983 2.098 1.00 0.00 WT1 H ATOM 10956 H2 TIP3 2831 88.405 56.273 1.364 1.00 0.00 WT1 H ATOM 10957 OH2 TIP3 2832 35.830 13.639 66.339 1.00 0.00 WT1 O ATOM 10958 H1 TIP3 2832 35.936 12.924 66.966 1.00 0.00 WT1 H ATOM 10959 H2 TIP3 2832 34.884 13.709 66.212 1.00 0.00 WT1 H ATOM 10960 OH2 TIP3 2833 59.930 11.079 -10.996 1.00 0.00 WT1 O ATOM 10961 H1 TIP3 2833 59.262 11.747 -11.150 1.00 0.00 WT1 H ATOM 10962 H2 TIP3 2833 60.509 11.466 -10.340 1.00 0.00 WT1 H ATOM 10963 OH2 TIP3 2834 79.061 45.266 48.549 1.00 0.00 WT1 O ATOM 10964 H1 TIP3 2834 78.311 45.827 48.748 1.00 0.00 WT1 H ATOM 10965 H2 TIP3 2834 79.758 45.586 49.123 1.00 0.00 WT1 H ATOM 10966 OH2 TIP3 2835 40.167 46.846 41.633 1.00 0.00 WT1 O ATOM 10967 H1 TIP3 2835 39.977 47.255 42.477 1.00 0.00 WT1 H ATOM 10968 H2 TIP3 2835 39.957 45.921 41.762 1.00 0.00 WT1 H ATOM 10969 OH2 TIP3 2836 55.026 94.748 -8.106 1.00 0.00 WT1 O ATOM 10970 H1 TIP3 2836 55.155 93.842 -8.386 1.00 0.00 WT1 H ATOM 10971 H2 TIP3 2836 55.845 95.188 -8.335 1.00 0.00 WT1 H ATOM 10972 OH2 TIP3 2837 31.161 25.320 16.802 1.00 0.00 WT1 O ATOM 10973 H1 TIP3 2837 31.003 25.394 17.743 1.00 0.00 WT1 H ATOM 10974 H2 TIP3 2837 30.289 25.363 16.408 1.00 0.00 WT1 H ATOM 10975 OH2 TIP3 2838 25.494 43.978 -18.635 1.00 0.00 WT1 O ATOM 10976 H1 TIP3 2838 24.579 44.233 -18.519 1.00 0.00 WT1 H ATOM 10977 H2 TIP3 2838 25.547 43.683 -19.544 1.00 0.00 WT1 H ATOM 10978 OH2 TIP3 2839 85.555 68.253 33.565 1.00 0.00 WT1 O ATOM 10979 H1 TIP3 2839 84.723 67.947 33.925 1.00 0.00 WT1 H ATOM 10980 H2 TIP3 2839 86.204 67.638 33.906 1.00 0.00 WT1 H ATOM 10981 OH2 TIP3 2840 68.388 23.454 -15.966 1.00 0.00 WT1 O ATOM 10982 H1 TIP3 2840 68.030 23.084 -15.159 1.00 0.00 WT1 H ATOM 10983 H2 TIP3 2840 68.062 22.879 -16.658 1.00 0.00 WT1 H ATOM 10984 OH2 TIP3 2841 69.389 45.296 53.547 1.00 0.00 WT1 O ATOM 10985 H1 TIP3 2841 69.674 46.206 53.463 1.00 0.00 WT1 H ATOM 10986 H2 TIP3 2841 68.685 45.324 54.195 1.00 0.00 WT1 H ATOM 10987 OH2 TIP3 2842 76.575 33.242 -17.769 1.00 0.00 WT1 O ATOM 10988 H1 TIP3 2842 77.072 32.603 -18.279 1.00 0.00 WT1 H ATOM 10989 H2 TIP3 2842 77.241 33.762 -17.320 1.00 0.00 WT1 H ATOM 10990 OH2 TIP3 2843 21.576 13.133 -16.608 1.00 0.00 WT1 O ATOM 10991 H1 TIP3 2843 21.167 12.267 -16.629 1.00 0.00 WT1 H ATOM 10992 H2 TIP3 2843 22.015 13.211 -17.455 1.00 0.00 WT1 H ATOM 10993 OH2 TIP3 2844 21.136 49.660 21.488 1.00 0.00 WT1 O ATOM 10994 H1 TIP3 2844 21.094 50.326 22.174 1.00 0.00 WT1 H ATOM 10995 H2 TIP3 2844 21.764 49.017 21.816 1.00 0.00 WT1 H ATOM 10996 OH2 TIP3 2845 38.398 4.944 12.931 1.00 0.00 WT1 O ATOM 10997 H1 TIP3 2845 38.181 5.758 13.386 1.00 0.00 WT1 H ATOM 10998 H2 TIP3 2845 39.043 4.519 13.497 1.00 0.00 WT1 H ATOM 10999 OH2 TIP3 2846 33.275 16.639 6.048 1.00 0.00 WT1 O ATOM 11000 H1 TIP3 2846 32.528 16.800 5.471 1.00 0.00 WT1 H ATOM 11001 H2 TIP3 2846 32.883 16.335 6.867 1.00 0.00 WT1 H ATOM 11002 OH2 TIP3 2849 59.274 15.233 38.653 1.00 0.00 WT1 O ATOM 11003 H1 TIP3 2849 59.044 15.058 37.740 1.00 0.00 WT1 H ATOM 11004 H2 TIP3 2849 58.436 15.407 39.082 1.00 0.00 WT1 H ATOM 11005 OH2 TIP3 2851 64.264 59.161 26.764 1.00 0.00 WT1 O ATOM 11006 H1 TIP3 2851 63.928 58.812 25.938 1.00 0.00 WT1 H ATOM 11007 H2 TIP3 2851 63.584 59.765 27.064 1.00 0.00 WT1 H ATOM 11008 OH2 TIP3 2852 87.220 49.782 8.843 1.00 0.00 WT1 O ATOM 11009 H1 TIP3 2852 87.954 49.825 9.456 1.00 0.00 WT1 H ATOM 11010 H2 TIP3 2852 86.567 49.242 9.287 1.00 0.00 WT1 H ATOM 11011 OH2 TIP3 2853 51.266 76.440 25.794 1.00 0.00 WT1 O ATOM 11012 H1 TIP3 2853 51.645 75.562 25.832 1.00 0.00 WT1 H ATOM 11013 H2 TIP3 2853 50.424 76.319 25.357 1.00 0.00 WT1 H ATOM 11014 OH2 TIP3 2854 50.305 46.625 48.114 1.00 0.00 WT1 O ATOM 11015 H1 TIP3 2854 50.061 47.549 48.062 1.00 0.00 WT1 H ATOM 11016 H2 TIP3 2854 50.780 46.548 48.941 1.00 0.00 WT1 H ATOM 11017 OH2 TIP3 2855 54.862 74.385 -9.050 1.00 0.00 WT1 O ATOM 11018 H1 TIP3 2855 54.368 73.705 -8.593 1.00 0.00 WT1 H ATOM 11019 H2 TIP3 2855 54.346 75.182 -8.925 1.00 0.00 WT1 H ATOM 11020 OH2 TIP3 2856 34.554 41.761 -12.227 1.00 0.00 WT1 O ATOM 11021 H1 TIP3 2856 34.720 42.176 -11.381 1.00 0.00 WT1 H ATOM 11022 H2 TIP3 2856 34.451 42.491 -12.837 1.00 0.00 WT1 H ATOM 11023 OH2 TIP3 2857 80.577 7.384 -15.747 1.00 0.00 WT1 O ATOM 11024 H1 TIP3 2857 80.511 6.543 -15.296 1.00 0.00 WT1 H ATOM 11025 H2 TIP3 2857 81.482 7.662 -15.604 1.00 0.00 WT1 H ATOM 11026 OH2 TIP3 2858 72.148 2.808 -16.866 1.00 0.00 WT1 O ATOM 11027 H1 TIP3 2858 71.479 2.129 -16.777 1.00 0.00 WT1 H ATOM 11028 H2 TIP3 2858 72.127 3.277 -16.032 1.00 0.00 WT1 H ATOM 11029 OH2 TIP3 2859 52.840 33.297 9.007 1.00 0.00 WT1 O ATOM 11030 H1 TIP3 2859 51.902 33.108 9.028 1.00 0.00 WT1 H ATOM 11031 H2 TIP3 2859 53.210 32.747 9.698 1.00 0.00 WT1 H ATOM 11032 OH2 TIP3 2860 22.384 4.215 59.000 1.00 0.00 WT1 O ATOM 11033 H1 TIP3 2860 22.766 4.919 59.524 1.00 0.00 WT1 H ATOM 11034 H2 TIP3 2860 22.544 4.476 58.094 1.00 0.00 WT1 H ATOM 11035 OH2 TIP3 2861 81.970 86.538 48.770 1.00 0.00 WT1 O ATOM 11036 H1 TIP3 2861 81.742 86.563 47.840 1.00 0.00 WT1 H ATOM 11037 H2 TIP3 2861 81.563 87.322 49.138 1.00 0.00 WT1 H ATOM 11038 OH2 TIP3 2862 86.164 77.582 1.679 1.00 0.00 WT1 O ATOM 11039 H1 TIP3 2862 86.667 76.806 1.433 1.00 0.00 WT1 H ATOM 11040 H2 TIP3 2862 85.531 77.693 0.969 1.00 0.00 WT1 H ATOM 11041 OH2 TIP3 2863 57.418 16.323 -11.353 1.00 0.00 WT1 O ATOM 11042 H1 TIP3 2863 58.216 16.558 -11.827 1.00 0.00 WT1 H ATOM 11043 H2 TIP3 2863 57.078 17.156 -11.028 1.00 0.00 WT1 H ATOM 11044 OH2 TIP3 2864 43.982 43.309 25.035 1.00 0.00 WT1 O ATOM 11045 H1 TIP3 2864 44.161 44.240 25.162 1.00 0.00 WT1 H ATOM 11046 H2 TIP3 2864 44.776 42.966 24.623 1.00 0.00 WT1 H ATOM 11047 OH2 TIP3 2865 74.220 47.976 49.937 1.00 0.00 WT1 O ATOM 11048 H1 TIP3 2865 74.521 48.394 50.744 1.00 0.00 WT1 H ATOM 11049 H2 TIP3 2865 73.324 47.699 50.131 1.00 0.00 WT1 H ATOM 11050 OH2 TIP3 2866 42.459 48.848 4.766 1.00 0.00 WT1 O ATOM 11051 H1 TIP3 2866 42.768 48.085 5.252 1.00 0.00 WT1 H ATOM 11052 H2 TIP3 2866 42.800 49.598 5.253 1.00 0.00 WT1 H ATOM 11053 OH2 TIP3 2867 41.334 58.020 -15.324 1.00 0.00 WT1 O ATOM 11054 H1 TIP3 2867 40.899 57.806 -16.149 1.00 0.00 WT1 H ATOM 11055 H2 TIP3 2867 40.671 58.487 -14.816 1.00 0.00 WT1 H ATOM 11056 OH2 TIP3 2868 46.428 44.831 -2.864 1.00 0.00 WT1 O ATOM 11057 H1 TIP3 2868 46.917 44.196 -2.340 1.00 0.00 WT1 H ATOM 11058 H2 TIP3 2868 45.781 45.193 -2.260 1.00 0.00 WT1 H ATOM 11059 OH2 TIP3 2871 49.484 46.619 51.022 1.00 0.00 WT1 O ATOM 11060 H1 TIP3 2871 49.050 47.016 50.267 1.00 0.00 WT1 H ATOM 11061 H2 TIP3 2871 49.181 45.711 51.023 1.00 0.00 WT1 H ATOM 11062 OH2 TIP3 2872 51.013 68.794 50.893 1.00 0.00 WT1 O ATOM 11063 H1 TIP3 2872 50.146 68.788 50.485 1.00 0.00 WT1 H ATOM 11064 H2 TIP3 2872 51.587 69.179 50.231 1.00 0.00 WT1 H ATOM 11065 OH2 TIP3 2873 26.215 90.445 5.205 1.00 0.00 WT1 O ATOM 11066 H1 TIP3 2873 26.869 90.975 5.661 1.00 0.00 WT1 H ATOM 11067 H2 TIP3 2873 25.807 89.920 5.893 1.00 0.00 WT1 H ATOM 11068 OH2 TIP3 2874 66.906 96.253 3.101 1.00 0.00 WT1 O ATOM 11069 H1 TIP3 2874 66.749 97.137 2.770 1.00 0.00 WT1 H ATOM 11070 H2 TIP3 2874 67.186 96.382 4.007 1.00 0.00 WT1 H ATOM 11071 OH2 TIP3 2875 31.252 32.032 64.035 1.00 0.00 WT1 O ATOM 11072 H1 TIP3 2875 31.686 32.797 64.412 1.00 0.00 WT1 H ATOM 11073 H2 TIP3 2875 30.348 32.093 64.342 1.00 0.00 WT1 H ATOM 11074 OH2 TIP3 2876 83.892 88.414 39.327 1.00 0.00 WT1 O ATOM 11075 H1 TIP3 2876 84.466 89.123 39.037 1.00 0.00 WT1 H ATOM 11076 H2 TIP3 2876 83.412 88.156 38.540 1.00 0.00 WT1 H ATOM 11077 OH2 TIP3 2877 44.307 10.624 36.407 1.00 0.00 WT1 O ATOM 11078 H1 TIP3 2877 43.387 10.434 36.222 1.00 0.00 WT1 H ATOM 11079 H2 TIP3 2877 44.776 10.324 35.629 1.00 0.00 WT1 H ATOM 11080 OH2 TIP3 2878 69.403 19.092 15.116 1.00 0.00 WT1 O ATOM 11081 H1 TIP3 2878 68.822 18.335 15.042 1.00 0.00 WT1 H ATOM 11082 H2 TIP3 2878 69.427 19.463 14.234 1.00 0.00 WT1 H ATOM 11083 OH2 TIP3 2879 50.005 57.930 -1.535 1.00 0.00 WT1 O ATOM 11084 H1 TIP3 2879 50.525 57.704 -0.764 1.00 0.00 WT1 H ATOM 11085 H2 TIP3 2879 50.649 58.192 -2.192 1.00 0.00 WT1 H ATOM 11086 OH2 TIP3 2880 71.877 66.365 35.436 1.00 0.00 WT1 O ATOM 11087 H1 TIP3 2880 71.377 66.910 34.829 1.00 0.00 WT1 H ATOM 11088 H2 TIP3 2880 71.268 66.181 36.151 1.00 0.00 WT1 H ATOM 11089 OH2 TIP3 2881 68.569 58.181 11.981 1.00 0.00 WT1 O ATOM 11090 H1 TIP3 2881 68.105 57.492 11.506 1.00 0.00 WT1 H ATOM 11091 H2 TIP3 2881 68.490 57.933 12.902 1.00 0.00 WT1 H ATOM 11092 OH2 TIP3 2882 29.139 67.023 23.039 1.00 0.00 WT1 O ATOM 11093 H1 TIP3 2882 29.820 67.507 22.572 1.00 0.00 WT1 H ATOM 11094 H2 TIP3 2882 29.266 66.112 22.773 1.00 0.00 WT1 H ATOM 11095 OH2 TIP3 2883 25.177 70.579 45.904 1.00 0.00 WT1 O ATOM 11096 H1 TIP3 2883 25.796 70.667 45.179 1.00 0.00 WT1 H ATOM 11097 H2 TIP3 2883 25.621 70.980 46.650 1.00 0.00 WT1 H ATOM 11098 OH2 TIP3 2884 81.101 44.077 13.917 1.00 0.00 WT1 O ATOM 11099 H1 TIP3 2884 81.511 44.277 14.759 1.00 0.00 WT1 H ATOM 11100 H2 TIP3 2884 81.836 43.936 13.320 1.00 0.00 WT1 H ATOM 11101 OH2 TIP3 2886 52.608 3.395 -4.591 1.00 0.00 WT1 O ATOM 11102 H1 TIP3 2886 53.001 3.276 -5.456 1.00 0.00 WT1 H ATOM 11103 H2 TIP3 2886 51.789 2.902 -4.630 1.00 0.00 WT1 H ATOM 11104 OH2 TIP3 2887 90.384 33.405 55.750 1.00 0.00 WT1 O ATOM 11105 H1 TIP3 2887 90.610 33.328 56.677 1.00 0.00 WT1 H ATOM 11106 H2 TIP3 2887 90.434 32.509 55.416 1.00 0.00 WT1 H ATOM 11107 OH2 TIP3 2889 79.856 12.593 0.660 1.00 0.00 WT1 O ATOM 11108 H1 TIP3 2889 79.301 12.265 1.367 1.00 0.00 WT1 H ATOM 11109 H2 TIP3 2889 80.403 11.846 0.418 1.00 0.00 WT1 H ATOM 11110 OH2 TIP3 2890 46.579 52.056 62.516 1.00 0.00 WT1 O ATOM 11111 H1 TIP3 2890 46.399 51.306 61.949 1.00 0.00 WT1 H ATOM 11112 H2 TIP3 2890 45.975 51.953 63.251 1.00 0.00 WT1 H ATOM 11113 OH2 TIP3 2891 70.229 14.287 9.410 1.00 0.00 WT1 O ATOM 11114 H1 TIP3 2891 71.172 14.442 9.459 1.00 0.00 WT1 H ATOM 11115 H2 TIP3 2891 69.894 15.011 8.882 1.00 0.00 WT1 H ATOM 11116 OH2 TIP3 2894 44.963 10.719 8.628 1.00 0.00 WT1 O ATOM 11117 H1 TIP3 2894 44.057 11.024 8.688 1.00 0.00 WT1 H ATOM 11118 H2 TIP3 2894 45.189 10.819 7.704 1.00 0.00 WT1 H ATOM 11119 OH2 TIP3 2895 59.411 91.974 49.493 1.00 0.00 WT1 O ATOM 11120 H1 TIP3 2895 58.480 91.913 49.710 1.00 0.00 WT1 H ATOM 11121 H2 TIP3 2895 59.426 92.189 48.561 1.00 0.00 WT1 H ATOM 11122 OH2 TIP3 2896 63.403 53.979 34.843 1.00 0.00 WT1 O ATOM 11123 H1 TIP3 2896 62.539 53.643 34.603 1.00 0.00 WT1 H ATOM 11124 H2 TIP3 2896 63.827 54.171 34.007 1.00 0.00 WT1 H ATOM 11125 OH2 TIP3 2898 67.693 36.940 -6.390 1.00 0.00 WT1 O ATOM 11126 H1 TIP3 2898 68.133 36.286 -5.846 1.00 0.00 WT1 H ATOM 11127 H2 TIP3 2898 67.665 37.726 -5.844 1.00 0.00 WT1 H ATOM 11128 OH2 TIP3 2899 47.208 77.723 41.412 1.00 0.00 WT1 O ATOM 11129 H1 TIP3 2899 47.424 78.004 42.302 1.00 0.00 WT1 H ATOM 11130 H2 TIP3 2899 46.615 78.399 41.084 1.00 0.00 WT1 H ATOM 11131 OH2 TIP3 2900 51.145 9.542 -6.566 1.00 0.00 WT1 O ATOM 11132 H1 TIP3 2900 51.403 9.715 -7.471 1.00 0.00 WT1 H ATOM 11133 H2 TIP3 2900 50.760 8.666 -6.590 1.00 0.00 WT1 H ATOM 11134 OH2 TIP3 2901 72.311 66.434 57.740 1.00 0.00 WT1 O ATOM 11135 H1 TIP3 2901 72.209 66.173 56.824 1.00 0.00 WT1 H ATOM 11136 H2 TIP3 2901 72.616 67.340 57.699 1.00 0.00 WT1 H ATOM 11137 OH2 TIP3 2902 62.264 59.391 54.275 1.00 0.00 WT1 O ATOM 11138 H1 TIP3 2902 62.452 58.569 54.729 1.00 0.00 WT1 H ATOM 11139 H2 TIP3 2902 62.083 59.130 53.372 1.00 0.00 WT1 H ATOM 11140 OH2 TIP3 2903 69.599 26.824 10.726 1.00 0.00 WT1 O ATOM 11141 H1 TIP3 2903 70.086 27.222 10.004 1.00 0.00 WT1 H ATOM 11142 H2 TIP3 2903 70.260 26.340 11.223 1.00 0.00 WT1 H ATOM 11143 OH2 TIP3 2904 29.605 18.041 0.301 1.00 0.00 WT1 O ATOM 11144 H1 TIP3 2904 29.482 17.153 0.638 1.00 0.00 WT1 H ATOM 11145 H2 TIP3 2904 30.413 18.345 0.715 1.00 0.00 WT1 H ATOM 11146 OH2 TIP3 2905 51.697 59.382 -14.214 1.00 0.00 WT1 O ATOM 11147 H1 TIP3 2905 51.704 59.534 -13.269 1.00 0.00 WT1 H ATOM 11148 H2 TIP3 2905 52.153 60.138 -14.582 1.00 0.00 WT1 H ATOM 11149 OH2 TIP3 2906 77.940 38.843 48.693 1.00 0.00 WT1 O ATOM 11150 H1 TIP3 2906 78.490 38.886 49.474 1.00 0.00 WT1 H ATOM 11151 H2 TIP3 2906 78.481 39.216 47.997 1.00 0.00 WT1 H ATOM 11152 OH2 TIP3 2908 60.426 47.211 6.157 1.00 0.00 WT1 O ATOM 11153 H1 TIP3 2908 60.347 46.805 7.021 1.00 0.00 WT1 H ATOM 11154 H2 TIP3 2908 61.357 47.416 6.073 1.00 0.00 WT1 H ATOM 11155 OH2 TIP3 2909 43.976 45.234 59.052 1.00 0.00 WT1 O ATOM 11156 H1 TIP3 2909 43.224 45.729 58.728 1.00 0.00 WT1 H ATOM 11157 H2 TIP3 2909 44.573 45.899 59.393 1.00 0.00 WT1 H ATOM 11158 OH2 TIP3 2910 77.808 39.038 -11.070 1.00 0.00 WT1 O ATOM 11159 H1 TIP3 2910 78.257 39.167 -10.235 1.00 0.00 WT1 H ATOM 11160 H2 TIP3 2910 77.994 38.129 -11.306 1.00 0.00 WT1 H ATOM 11161 OH2 TIP3 2912 33.623 74.505 35.213 1.00 0.00 WT1 O ATOM 11162 H1 TIP3 2912 34.511 74.226 35.437 1.00 0.00 WT1 H ATOM 11163 H2 TIP3 2912 33.740 75.122 34.491 1.00 0.00 WT1 H ATOM 11164 OH2 TIP3 2913 29.585 17.934 -3.609 1.00 0.00 WT1 O ATOM 11165 H1 TIP3 2913 29.842 17.942 -2.687 1.00 0.00 WT1 H ATOM 11166 H2 TIP3 2913 29.790 18.814 -3.923 1.00 0.00 WT1 H ATOM 11167 OH2 TIP3 2914 51.406 19.588 52.597 1.00 0.00 WT1 O ATOM 11168 H1 TIP3 2914 51.135 19.798 51.703 1.00 0.00 WT1 H ATOM 11169 H2 TIP3 2914 50.789 18.913 52.882 1.00 0.00 WT1 H ATOM 11170 OH2 TIP3 2916 24.225 41.791 22.641 1.00 0.00 WT1 O ATOM 11171 H1 TIP3 2916 25.039 41.482 22.244 1.00 0.00 WT1 H ATOM 11172 H2 TIP3 2916 24.500 42.472 23.254 1.00 0.00 WT1 H ATOM 11173 OH2 TIP3 2917 45.783 40.710 40.949 1.00 0.00 WT1 O ATOM 11174 H1 TIP3 2917 45.311 40.057 41.464 1.00 0.00 WT1 H ATOM 11175 H2 TIP3 2917 45.241 40.841 40.171 1.00 0.00 WT1 H ATOM 11176 OH2 TIP3 2918 70.048 23.164 -0.899 1.00 0.00 WT1 O ATOM 11177 H1 TIP3 2918 69.110 23.340 -0.832 1.00 0.00 WT1 H ATOM 11178 H2 TIP3 2918 70.465 24.000 -0.687 1.00 0.00 WT1 H ATOM 11179 OH2 TIP3 2919 49.138 39.764 32.134 1.00 0.00 WT1 O ATOM 11180 H1 TIP3 2919 48.876 40.080 31.270 1.00 0.00 WT1 H ATOM 11181 H2 TIP3 2919 48.826 38.860 32.165 1.00 0.00 WT1 H ATOM 11182 OH2 TIP3 2920 50.685 67.275 65.780 1.00 0.00 WT1 O ATOM 11183 H1 TIP3 2920 50.854 66.980 66.675 1.00 0.00 WT1 H ATOM 11184 H2 TIP3 2920 50.145 68.059 65.883 1.00 0.00 WT1 H ATOM 11185 OH2 TIP3 2921 31.394 23.726 33.613 1.00 0.00 WT1 O ATOM 11186 H1 TIP3 2921 31.441 24.189 34.450 1.00 0.00 WT1 H ATOM 11187 H2 TIP3 2921 32.301 23.689 33.309 1.00 0.00 WT1 H ATOM 11188 OH2 TIP3 2922 48.165 92.826 7.769 1.00 0.00 WT1 O ATOM 11189 H1 TIP3 2922 47.526 93.221 8.363 1.00 0.00 WT1 H ATOM 11190 H2 TIP3 2922 48.361 91.975 8.161 1.00 0.00 WT1 H ATOM 11191 OH2 TIP3 2923 62.854 34.785 62.983 1.00 0.00 WT1 O ATOM 11192 H1 TIP3 2923 63.782 34.907 63.184 1.00 0.00 WT1 H ATOM 11193 H2 TIP3 2923 62.759 33.841 62.854 1.00 0.00 WT1 H ATOM 11194 OH2 TIP3 2925 31.842 31.657 -8.853 1.00 0.00 WT1 O ATOM 11195 H1 TIP3 2925 31.388 31.062 -9.450 1.00 0.00 WT1 H ATOM 11196 H2 TIP3 2925 31.319 32.459 -8.870 1.00 0.00 WT1 H ATOM 11197 OH2 TIP3 2926 27.532 96.168 26.918 1.00 0.00 WT1 O ATOM 11198 H1 TIP3 2926 28.154 95.672 26.386 1.00 0.00 WT1 H ATOM 11199 H2 TIP3 2926 27.722 95.903 27.818 1.00 0.00 WT1 H ATOM 11200 OH2 TIP3 2927 65.475 94.922 18.155 1.00 0.00 WT1 O ATOM 11201 H1 TIP3 2927 64.904 94.589 17.463 1.00 0.00 WT1 H ATOM 11202 H2 TIP3 2927 65.755 95.782 17.842 1.00 0.00 WT1 H ATOM 11203 OH2 TIP3 2928 23.602 76.084 65.963 1.00 0.00 WT1 O ATOM 11204 H1 TIP3 2928 24.212 75.423 66.291 1.00 0.00 WT1 H ATOM 11205 H2 TIP3 2928 24.020 76.422 65.170 1.00 0.00 WT1 H ATOM 11206 OH2 TIP3 2930 60.167 31.973 -13.253 1.00 0.00 WT1 O ATOM 11207 H1 TIP3 2930 60.722 31.666 -12.536 1.00 0.00 WT1 H ATOM 11208 H2 TIP3 2930 59.604 32.636 -12.853 1.00 0.00 WT1 H ATOM 11209 OH2 TIP3 2931 65.204 67.600 26.027 1.00 0.00 WT1 O ATOM 11210 H1 TIP3 2931 65.205 66.655 25.878 1.00 0.00 WT1 H ATOM 11211 H2 TIP3 2931 64.297 67.867 25.874 1.00 0.00 WT1 H ATOM 11212 OH2 TIP3 2932 85.609 46.184 2.219 1.00 0.00 WT1 O ATOM 11213 H1 TIP3 2932 86.378 46.047 2.772 1.00 0.00 WT1 H ATOM 11214 H2 TIP3 2932 85.045 46.763 2.732 1.00 0.00 WT1 H ATOM 11215 OH2 TIP3 2936 80.342 58.833 39.686 1.00 0.00 WT1 O ATOM 11216 H1 TIP3 2936 79.546 59.136 40.123 1.00 0.00 WT1 H ATOM 11217 H2 TIP3 2936 80.320 59.255 38.827 1.00 0.00 WT1 H ATOM 11218 OH2 TIP3 2937 34.772 52.703 23.653 1.00 0.00 WT1 O ATOM 11219 H1 TIP3 2937 35.069 52.389 24.507 1.00 0.00 WT1 H ATOM 11220 H2 TIP3 2937 35.567 52.739 23.121 1.00 0.00 WT1 H ATOM 11221 OH2 TIP3 2938 77.080 23.850 53.784 1.00 0.00 WT1 O ATOM 11222 H1 TIP3 2938 77.182 23.948 52.837 1.00 0.00 WT1 H ATOM 11223 H2 TIP3 2938 76.564 23.051 53.888 1.00 0.00 WT1 H ATOM 11224 OH2 TIP3 2939 23.093 53.425 27.110 1.00 0.00 WT1 O ATOM 11225 H1 TIP3 2939 22.472 53.718 26.443 1.00 0.00 WT1 H ATOM 11226 H2 TIP3 2939 22.666 52.673 27.521 1.00 0.00 WT1 H ATOM 11227 OH2 TIP3 2941 48.391 1.458 26.821 1.00 0.00 WT1 O ATOM 11228 H1 TIP3 2941 48.225 1.530 25.881 1.00 0.00 WT1 H ATOM 11229 H2 TIP3 2941 49.334 1.596 26.908 1.00 0.00 WT1 H ATOM 11230 OH2 TIP3 2943 86.796 52.248 -10.750 1.00 0.00 WT1 O ATOM 11231 H1 TIP3 2943 87.124 52.119 -11.640 1.00 0.00 WT1 H ATOM 11232 H2 TIP3 2943 85.965 51.773 -10.729 1.00 0.00 WT1 H ATOM 11233 OH2 TIP3 2944 68.983 13.771 51.658 1.00 0.00 WT1 O ATOM 11234 H1 TIP3 2944 68.623 12.928 51.382 1.00 0.00 WT1 H ATOM 11235 H2 TIP3 2944 68.866 14.343 50.900 1.00 0.00 WT1 H ATOM 11236 OH2 TIP3 2945 72.481 53.324 -2.221 1.00 0.00 WT1 O ATOM 11237 H1 TIP3 2945 71.972 53.913 -1.665 1.00 0.00 WT1 H ATOM 11238 H2 TIP3 2945 72.143 52.452 -2.020 1.00 0.00 WT1 H ATOM 11239 OH2 TIP3 2946 38.192 17.274 -13.995 1.00 0.00 WT1 O ATOM 11240 H1 TIP3 2946 38.062 16.673 -13.261 1.00 0.00 WT1 H ATOM 11241 H2 TIP3 2946 38.695 16.768 -14.633 1.00 0.00 WT1 H ATOM 11242 OH2 TIP3 2947 55.377 20.114 21.656 1.00 0.00 WT1 O ATOM 11243 H1 TIP3 2947 55.483 21.065 21.701 1.00 0.00 WT1 H ATOM 11244 H2 TIP3 2947 54.441 19.984 21.503 1.00 0.00 WT1 H ATOM 11245 OH2 TIP3 2950 71.280 64.564 38.398 1.00 0.00 WT1 O ATOM 11246 H1 TIP3 2950 71.180 65.039 39.223 1.00 0.00 WT1 H ATOM 11247 H2 TIP3 2950 70.912 65.150 37.737 1.00 0.00 WT1 H ATOM 11248 OH2 TIP3 2951 52.937 12.311 -19.194 1.00 0.00 WT1 O ATOM 11249 H1 TIP3 2951 53.358 11.451 -19.201 1.00 0.00 WT1 H ATOM 11250 H2 TIP3 2951 52.326 12.273 -18.457 1.00 0.00 WT1 H ATOM 11251 OH2 TIP3 2952 44.001 91.640 -13.894 1.00 0.00 WT1 O ATOM 11252 H1 TIP3 2952 43.109 91.455 -14.188 1.00 0.00 WT1 H ATOM 11253 H2 TIP3 2952 44.559 91.160 -14.506 1.00 0.00 WT1 H ATOM 11254 OH2 TIP3 2956 46.288 18.414 2.840 1.00 0.00 WT1 O ATOM 11255 H1 TIP3 2956 46.833 19.171 3.058 1.00 0.00 WT1 H ATOM 11256 H2 TIP3 2956 45.420 18.783 2.676 1.00 0.00 WT1 H ATOM 11257 OH2 TIP3 2957 24.618 7.955 55.520 1.00 0.00 WT1 O ATOM 11258 H1 TIP3 2957 25.182 7.188 55.414 1.00 0.00 WT1 H ATOM 11259 H2 TIP3 2957 25.176 8.606 55.945 1.00 0.00 WT1 H ATOM 11260 OH2 TIP3 2959 52.880 61.617 -17.187 1.00 0.00 WT1 O ATOM 11261 H1 TIP3 2959 53.583 61.673 -16.541 1.00 0.00 WT1 H ATOM 11262 H2 TIP3 2959 53.285 61.895 -18.008 1.00 0.00 WT1 H ATOM 11263 OH2 TIP3 2960 39.209 43.175 63.270 1.00 0.00 WT1 O ATOM 11264 H1 TIP3 2960 38.358 43.578 63.097 1.00 0.00 WT1 H ATOM 11265 H2 TIP3 2960 39.423 42.711 62.460 1.00 0.00 WT1 H ATOM 11266 OH2 TIP3 2961 88.258 19.264 42.598 1.00 0.00 WT1 O ATOM 11267 H1 TIP3 2961 87.949 19.933 41.988 1.00 0.00 WT1 H ATOM 11268 H2 TIP3 2961 87.909 18.443 42.251 1.00 0.00 WT1 H ATOM 11269 OH2 TIP3 2962 41.444 93.151 40.441 1.00 0.00 WT1 O ATOM 11270 H1 TIP3 2962 40.521 93.340 40.273 1.00 0.00 WT1 H ATOM 11271 H2 TIP3 2962 41.477 92.202 40.559 1.00 0.00 WT1 H ATOM 11272 OH2 TIP3 2963 55.248 32.613 48.479 1.00 0.00 WT1 O ATOM 11273 H1 TIP3 2963 55.019 31.871 47.919 1.00 0.00 WT1 H ATOM 11274 H2 TIP3 2963 55.790 33.174 47.924 1.00 0.00 WT1 H ATOM 11275 OH2 TIP3 2964 22.504 54.856 -16.784 1.00 0.00 WT1 O ATOM 11276 H1 TIP3 2964 22.306 55.356 -17.576 1.00 0.00 WT1 H ATOM 11277 H2 TIP3 2964 21.668 54.468 -16.529 1.00 0.00 WT1 H ATOM 11278 OH2 TIP3 2965 81.767 31.762 -17.228 1.00 0.00 WT1 O ATOM 11279 H1 TIP3 2965 82.569 31.242 -17.287 1.00 0.00 WT1 H ATOM 11280 H2 TIP3 2965 82.039 32.650 -17.458 1.00 0.00 WT1 H ATOM 11281 OH2 TIP3 2966 74.600 70.941 -7.933 1.00 0.00 WT1 O ATOM 11282 H1 TIP3 2966 74.589 70.670 -7.015 1.00 0.00 WT1 H ATOM 11283 H2 TIP3 2966 75.160 70.297 -8.366 1.00 0.00 WT1 H ATOM 11284 OH2 TIP3 2967 73.230 36.680 51.405 1.00 0.00 WT1 O ATOM 11285 H1 TIP3 2967 73.315 35.762 51.663 1.00 0.00 WT1 H ATOM 11286 H2 TIP3 2967 73.105 36.652 50.457 1.00 0.00 WT1 H ATOM 11287 OH2 TIP3 2968 79.300 67.258 9.355 1.00 0.00 WT1 O ATOM 11288 H1 TIP3 2968 78.990 67.336 10.258 1.00 0.00 WT1 H ATOM 11289 H2 TIP3 2968 79.045 66.374 9.090 1.00 0.00 WT1 H ATOM 11290 OH2 TIP3 2969 30.270 61.602 32.709 1.00 0.00 WT1 O ATOM 11291 H1 TIP3 2969 30.555 61.234 33.545 1.00 0.00 WT1 H ATOM 11292 H2 TIP3 2969 31.054 62.016 32.349 1.00 0.00 WT1 H ATOM 11293 OH2 TIP3 2971 25.192 24.364 49.567 1.00 0.00 WT1 O ATOM 11294 H1 TIP3 2971 24.975 24.932 50.306 1.00 0.00 WT1 H ATOM 11295 H2 TIP3 2971 26.057 24.660 49.283 1.00 0.00 WT1 H ATOM 11296 OH2 TIP3 2972 23.362 48.384 -18.938 1.00 0.00 WT1 O ATOM 11297 H1 TIP3 2972 23.744 48.050 -19.750 1.00 0.00 WT1 H ATOM 11298 H2 TIP3 2972 24.083 48.366 -18.309 1.00 0.00 WT1 H ATOM 11299 OH2 TIP3 2978 88.111 65.961 11.759 1.00 0.00 WT1 O ATOM 11300 H1 TIP3 2978 88.496 66.275 10.941 1.00 0.00 WT1 H ATOM 11301 H2 TIP3 2978 87.179 65.867 11.565 1.00 0.00 WT1 H ATOM 11302 OH2 TIP3 2979 27.316 13.697 58.917 1.00 0.00 WT1 O ATOM 11303 H1 TIP3 2979 27.196 13.063 58.210 1.00 0.00 WT1 H ATOM 11304 H2 TIP3 2979 28.185 14.068 58.762 1.00 0.00 WT1 H ATOM 11305 OH2 TIP3 2981 80.530 7.479 57.439 1.00 0.00 WT1 O ATOM 11306 H1 TIP3 2981 80.679 7.202 56.535 1.00 0.00 WT1 H ATOM 11307 H2 TIP3 2981 80.860 8.377 57.473 1.00 0.00 WT1 H ATOM 11308 OH2 TIP3 2982 42.692 22.590 3.681 1.00 0.00 WT1 O ATOM 11309 H1 TIP3 2982 42.345 22.732 4.561 1.00 0.00 WT1 H ATOM 11310 H2 TIP3 2982 42.113 23.094 3.110 1.00 0.00 WT1 H ATOM 11311 OH2 TIP3 2983 46.357 18.016 65.321 1.00 0.00 WT1 O ATOM 11312 H1 TIP3 2983 47.101 17.451 65.112 1.00 0.00 WT1 H ATOM 11313 H2 TIP3 2983 46.448 18.197 66.257 1.00 0.00 WT1 H ATOM 11314 OH2 TIP3 2984 65.320 69.619 -11.383 1.00 0.00 WT1 O ATOM 11315 H1 TIP3 2984 65.124 68.764 -11.766 1.00 0.00 WT1 H ATOM 11316 H2 TIP3 2984 65.016 69.552 -10.478 1.00 0.00 WT1 H ATOM 11317 OH2 TIP3 2985 42.186 33.836 36.905 1.00 0.00 WT1 O ATOM 11318 H1 TIP3 2985 42.659 33.997 36.089 1.00 0.00 WT1 H ATOM 11319 H2 TIP3 2985 41.981 34.708 37.241 1.00 0.00 WT1 H ATOM 11320 OH2 TIP3 2986 87.233 23.467 6.700 1.00 0.00 WT1 O ATOM 11321 H1 TIP3 2986 86.826 22.608 6.592 1.00 0.00 WT1 H ATOM 11322 H2 TIP3 2986 87.048 23.926 5.881 1.00 0.00 WT1 H ATOM 11323 OH2 TIP3 2987 36.305 45.453 -9.617 1.00 0.00 WT1 O ATOM 11324 H1 TIP3 2987 36.616 45.385 -8.714 1.00 0.00 WT1 H ATOM 11325 H2 TIP3 2987 35.720 46.211 -9.612 1.00 0.00 WT1 H ATOM 11326 OH2 TIP3 2988 84.112 52.422 8.958 1.00 0.00 WT1 O ATOM 11327 H1 TIP3 2988 83.408 51.924 9.373 1.00 0.00 WT1 H ATOM 11328 H2 TIP3 2988 84.543 52.878 9.680 1.00 0.00 WT1 H ATOM 11329 OH2 TIP3 2989 78.925 67.523 -6.253 1.00 0.00 WT1 O ATOM 11330 H1 TIP3 2989 78.524 68.392 -6.241 1.00 0.00 WT1 H ATOM 11331 H2 TIP3 2989 78.193 66.919 -6.125 1.00 0.00 WT1 H ATOM 11332 OH2 TIP3 2990 53.352 69.281 13.244 1.00 0.00 WT1 O ATOM 11333 H1 TIP3 2990 52.638 69.665 13.754 1.00 0.00 WT1 H ATOM 11334 H2 TIP3 2990 54.051 69.935 13.280 1.00 0.00 WT1 H ATOM 11335 OH2 TIP3 2991 20.183 14.664 -6.761 1.00 0.00 WT1 O ATOM 11336 H1 TIP3 2991 20.373 13.727 -6.734 1.00 0.00 WT1 H ATOM 11337 H2 TIP3 2991 20.667 15.028 -6.020 1.00 0.00 WT1 H ATOM 11338 OH2 TIP3 2992 24.695 63.206 41.060 1.00 0.00 WT1 O ATOM 11339 H1 TIP3 2992 24.220 63.198 40.229 1.00 0.00 WT1 H ATOM 11340 H2 TIP3 2992 25.424 62.601 40.926 1.00 0.00 WT1 H ATOM 11341 OH2 TIP3 2993 37.555 28.266 -6.288 1.00 0.00 WT1 O ATOM 11342 H1 TIP3 2993 37.055 28.986 -5.904 1.00 0.00 WT1 H ATOM 11343 H2 TIP3 2993 37.529 27.576 -5.626 1.00 0.00 WT1 H ATOM 11344 OH2 TIP3 2998 55.587 69.801 42.631 1.00 0.00 WT1 O ATOM 11345 H1 TIP3 2998 56.173 69.072 42.429 1.00 0.00 WT1 H ATOM 11346 H2 TIP3 2998 55.151 69.995 41.802 1.00 0.00 WT1 H ATOM 11347 OH2 TIP3 3000 78.855 61.540 33.311 1.00 0.00 WT1 O ATOM 11348 H1 TIP3 3000 79.110 62.448 33.150 1.00 0.00 WT1 H ATOM 11349 H2 TIP3 3000 78.546 61.535 34.217 1.00 0.00 WT1 H ATOM 11350 OH2 TIP3 3001 34.394 34.612 38.864 1.00 0.00 WT1 O ATOM 11351 H1 TIP3 3001 35.184 34.516 38.333 1.00 0.00 WT1 H ATOM 11352 H2 TIP3 3001 33.958 35.386 38.508 1.00 0.00 WT1 H ATOM 11353 OH2 TIP3 3002 78.658 74.087 -15.708 1.00 0.00 WT1 O ATOM 11354 H1 TIP3 3002 78.880 73.352 -15.136 1.00 0.00 WT1 H ATOM 11355 H2 TIP3 3002 79.485 74.552 -15.832 1.00 0.00 WT1 H ATOM 11356 OH2 TIP3 3003 27.683 27.882 65.204 1.00 0.00 WT1 O ATOM 11357 H1 TIP3 3003 27.705 27.034 64.760 1.00 0.00 WT1 H ATOM 11358 H2 TIP3 3003 27.276 28.474 64.571 1.00 0.00 WT1 H ATOM 11359 OH2 TIP3 3004 46.551 35.461 21.208 1.00 0.00 WT1 O ATOM 11360 H1 TIP3 3004 46.741 36.366 21.457 1.00 0.00 WT1 H ATOM 11361 H2 TIP3 3004 47.175 35.270 20.508 1.00 0.00 WT1 H ATOM 11362 OH2 TIP3 3005 69.770 18.737 65.921 1.00 0.00 WT1 O ATOM 11363 H1 TIP3 3005 70.232 19.513 66.238 1.00 0.00 WT1 H ATOM 11364 H2 TIP3 3005 70.241 18.000 66.311 1.00 0.00 WT1 H ATOM 11365 OH2 TIP3 3006 30.511 51.791 56.674 1.00 0.00 WT1 O ATOM 11366 H1 TIP3 3006 31.306 51.720 57.202 1.00 0.00 WT1 H ATOM 11367 H2 TIP3 3006 30.812 52.125 55.829 1.00 0.00 WT1 H ATOM 11368 OH2 TIP3 3007 87.681 56.132 9.464 1.00 0.00 WT1 O ATOM 11369 H1 TIP3 3007 88.236 56.902 9.338 1.00 0.00 WT1 H ATOM 11370 H2 TIP3 3007 88.218 55.532 9.983 1.00 0.00 WT1 H ATOM 11371 OH2 TIP3 3008 59.162 60.682 23.751 1.00 0.00 WT1 O ATOM 11372 H1 TIP3 3008 59.006 60.580 22.813 1.00 0.00 WT1 H ATOM 11373 H2 TIP3 3008 58.814 59.881 24.142 1.00 0.00 WT1 H ATOM 11374 OH2 TIP3 3009 79.356 94.816 46.992 1.00 0.00 WT1 O ATOM 11375 H1 TIP3 3009 78.983 94.990 46.128 1.00 0.00 WT1 H ATOM 11376 H2 TIP3 3009 80.078 95.439 47.072 1.00 0.00 WT1 H ATOM 11377 OH2 TIP3 3010 72.836 18.298 62.964 1.00 0.00 WT1 O ATOM 11378 H1 TIP3 3010 72.095 17.759 63.239 1.00 0.00 WT1 H ATOM 11379 H2 TIP3 3010 73.013 18.022 62.065 1.00 0.00 WT1 H ATOM 11380 OH2 TIP3 3011 86.341 79.637 53.472 1.00 0.00 WT1 O ATOM 11381 H1 TIP3 3011 85.558 80.188 53.480 1.00 0.00 WT1 H ATOM 11382 H2 TIP3 3011 86.747 79.810 52.622 1.00 0.00 WT1 H ATOM 11383 OH2 TIP3 3012 30.492 10.228 11.128 1.00 0.00 WT1 O ATOM 11384 H1 TIP3 3012 29.759 10.765 10.828 1.00 0.00 WT1 H ATOM 11385 H2 TIP3 3012 30.882 10.730 11.843 1.00 0.00 WT1 H ATOM 11386 OH2 TIP3 3013 64.341 32.882 -5.506 1.00 0.00 WT1 O ATOM 11387 H1 TIP3 3013 65.291 32.853 -5.388 1.00 0.00 WT1 H ATOM 11388 H2 TIP3 3013 64.074 31.964 -5.523 1.00 0.00 WT1 H ATOM 11389 OH2 TIP3 3014 52.430 28.859 11.387 1.00 0.00 WT1 O ATOM 11390 H1 TIP3 3014 52.458 27.957 11.068 1.00 0.00 WT1 H ATOM 11391 H2 TIP3 3014 51.713 29.264 10.899 1.00 0.00 WT1 H ATOM 11392 OH2 TIP3 3015 46.308 39.419 24.029 1.00 0.00 WT1 O ATOM 11393 H1 TIP3 3015 46.719 40.139 23.552 1.00 0.00 WT1 H ATOM 11394 H2 TIP3 3015 46.797 38.642 23.758 1.00 0.00 WT1 H ATOM 11395 OH2 TIP3 3016 82.383 27.546 6.487 1.00 0.00 WT1 O ATOM 11396 H1 TIP3 3016 82.673 27.756 5.600 1.00 0.00 WT1 H ATOM 11397 H2 TIP3 3016 82.526 28.351 6.984 1.00 0.00 WT1 H ATOM 11398 OH2 TIP3 3018 78.930 68.103 56.388 1.00 0.00 WT1 O ATOM 11399 H1 TIP3 3018 79.618 68.136 55.723 1.00 0.00 WT1 H ATOM 11400 H2 TIP3 3018 78.113 68.102 55.889 1.00 0.00 WT1 H ATOM 11401 OH2 TIP3 3019 78.478 34.775 -1.742 1.00 0.00 WT1 O ATOM 11402 H1 TIP3 3019 78.620 35.705 -1.563 1.00 0.00 WT1 H ATOM 11403 H2 TIP3 3019 79.181 34.329 -1.269 1.00 0.00 WT1 H ATOM 11404 OH2 TIP3 3021 78.609 36.130 8.942 1.00 0.00 WT1 O ATOM 11405 H1 TIP3 3021 77.866 36.107 9.546 1.00 0.00 WT1 H ATOM 11406 H2 TIP3 3021 78.508 36.955 8.468 1.00 0.00 WT1 H ATOM 11407 OH2 TIP3 3023 50.577 26.884 -10.205 1.00 0.00 WT1 O ATOM 11408 H1 TIP3 3023 50.371 25.955 -10.306 1.00 0.00 WT1 H ATOM 11409 H2 TIP3 3023 51.342 27.023 -10.763 1.00 0.00 WT1 H ATOM 11410 OH2 TIP3 3024 49.965 49.656 56.049 1.00 0.00 WT1 O ATOM 11411 H1 TIP3 3024 50.157 50.593 56.001 1.00 0.00 WT1 H ATOM 11412 H2 TIP3 3024 50.247 49.309 55.203 1.00 0.00 WT1 H ATOM 11413 OH2 TIP3 3025 78.834 89.524 43.920 1.00 0.00 WT1 O ATOM 11414 H1 TIP3 3025 77.954 89.790 43.655 1.00 0.00 WT1 H ATOM 11415 H2 TIP3 3025 79.314 90.347 44.017 1.00 0.00 WT1 H ATOM 11416 OH2 TIP3 3027 90.765 23.516 -18.547 1.00 0.00 WT1 O ATOM 11417 H1 TIP3 3027 90.865 24.400 -18.901 1.00 0.00 WT1 H ATOM 11418 H2 TIP3 3027 89.932 23.538 -18.077 1.00 0.00 WT1 H ATOM 11419 OH2 TIP3 3028 39.411 46.534 -7.899 1.00 0.00 WT1 O ATOM 11420 H1 TIP3 3028 39.308 46.962 -8.749 1.00 0.00 WT1 H ATOM 11421 H2 TIP3 3028 39.421 45.598 -8.101 1.00 0.00 WT1 H ATOM 11422 OH2 TIP3 3029 22.428 29.672 11.191 1.00 0.00 WT1 O ATOM 11423 H1 TIP3 3029 23.327 29.881 11.447 1.00 0.00 WT1 H ATOM 11424 H2 TIP3 3029 21.906 29.870 11.968 1.00 0.00 WT1 H ATOM 11425 OH2 TIP3 3030 25.205 27.334 -0.488 1.00 0.00 WT1 O ATOM 11426 H1 TIP3 3030 25.445 26.955 -1.334 1.00 0.00 WT1 H ATOM 11427 H2 TIP3 3030 24.673 28.099 -0.710 1.00 0.00 WT1 H ATOM 11428 OH2 TIP3 3032 56.015 57.753 21.642 1.00 0.00 WT1 O ATOM 11429 H1 TIP3 3032 55.212 58.160 21.316 1.00 0.00 WT1 H ATOM 11430 H2 TIP3 3032 56.609 57.762 20.891 1.00 0.00 WT1 H ATOM 11431 OH2 TIP3 3033 27.721 51.617 10.330 1.00 0.00 WT1 O ATOM 11432 H1 TIP3 3033 27.535 52.517 10.063 1.00 0.00 WT1 H ATOM 11433 H2 TIP3 3033 28.304 51.280 9.649 1.00 0.00 WT1 H ATOM 11434 OH2 TIP3 3035 83.666 15.959 -6.728 1.00 0.00 WT1 O ATOM 11435 H1 TIP3 3035 83.916 15.514 -5.918 1.00 0.00 WT1 H ATOM 11436 H2 TIP3 3035 83.628 15.261 -7.383 1.00 0.00 WT1 H ATOM 11437 OH2 TIP3 3037 21.710 23.595 7.997 1.00 0.00 WT1 O ATOM 11438 H1 TIP3 3037 21.897 23.545 8.934 1.00 0.00 WT1 H ATOM 11439 H2 TIP3 3037 21.618 22.683 7.722 1.00 0.00 WT1 H ATOM 11440 OH2 TIP3 3038 77.776 93.829 10.903 1.00 0.00 WT1 O ATOM 11441 H1 TIP3 3038 78.184 93.795 10.038 1.00 0.00 WT1 H ATOM 11442 H2 TIP3 3038 78.256 93.181 11.420 1.00 0.00 WT1 H ATOM 11443 OH2 TIP3 3039 76.633 52.970 64.850 1.00 0.00 WT1 O ATOM 11444 H1 TIP3 3039 75.847 52.776 64.340 1.00 0.00 WT1 H ATOM 11445 H2 TIP3 3039 76.321 53.047 65.752 1.00 0.00 WT1 H ATOM 11446 OH2 TIP3 3040 43.505 53.772 20.766 1.00 0.00 WT1 O ATOM 11447 H1 TIP3 3040 42.894 53.744 20.029 1.00 0.00 WT1 H ATOM 11448 H2 TIP3 3040 43.329 54.612 21.191 1.00 0.00 WT1 H ATOM 11449 OH2 TIP3 3041 41.225 42.123 40.793 1.00 0.00 WT1 O ATOM 11450 H1 TIP3 3041 40.510 42.002 41.418 1.00 0.00 WT1 H ATOM 11451 H2 TIP3 3041 40.861 42.696 40.119 1.00 0.00 WT1 H ATOM 11452 OH2 TIP3 3042 87.381 21.189 50.064 1.00 0.00 WT1 O ATOM 11453 H1 TIP3 3042 86.960 20.674 50.752 1.00 0.00 WT1 H ATOM 11454 H2 TIP3 3042 87.381 20.614 49.299 1.00 0.00 WT1 H ATOM 11455 OH2 TIP3 3043 65.170 29.616 42.495 1.00 0.00 WT1 O ATOM 11456 H1 TIP3 3043 64.500 29.354 43.127 1.00 0.00 WT1 H ATOM 11457 H2 TIP3 3043 64.736 30.266 41.942 1.00 0.00 WT1 H ATOM 11458 OH2 TIP3 3044 47.865 78.060 9.091 1.00 0.00 WT1 O ATOM 11459 H1 TIP3 3044 47.060 77.648 8.778 1.00 0.00 WT1 H ATOM 11460 H2 TIP3 3044 48.532 77.379 9.005 1.00 0.00 WT1 H ATOM 11461 OH2 TIP3 3045 34.483 56.896 56.417 1.00 0.00 WT1 O ATOM 11462 H1 TIP3 3045 33.886 56.207 56.125 1.00 0.00 WT1 H ATOM 11463 H2 TIP3 3045 35.354 56.568 56.195 1.00 0.00 WT1 H ATOM 11464 OH2 TIP3 3046 44.009 16.809 1.109 1.00 0.00 WT1 O ATOM 11465 H1 TIP3 3046 44.139 16.051 1.679 1.00 0.00 WT1 H ATOM 11466 H2 TIP3 3046 44.886 17.176 0.995 1.00 0.00 WT1 H ATOM 11467 OH2 TIP3 3047 38.394 79.956 -9.460 1.00 0.00 WT1 O ATOM 11468 H1 TIP3 3047 39.071 80.624 -9.353 1.00 0.00 WT1 H ATOM 11469 H2 TIP3 3047 38.281 79.585 -8.585 1.00 0.00 WT1 H ATOM 11470 OH2 TIP3 3048 37.384 5.390 -19.560 1.00 0.00 WT1 O ATOM 11471 H1 TIP3 3048 38.321 5.213 -19.467 1.00 0.00 WT1 H ATOM 11472 H2 TIP3 3048 37.247 6.210 -19.085 1.00 0.00 WT1 H ATOM 11473 OH2 TIP3 3049 29.626 13.409 49.013 1.00 0.00 WT1 O ATOM 11474 H1 TIP3 3049 29.838 12.526 48.708 1.00 0.00 WT1 H ATOM 11475 H2 TIP3 3049 29.447 13.304 49.947 1.00 0.00 WT1 H ATOM 11476 OH2 TIP3 3050 56.282 59.730 -17.809 1.00 0.00 WT1 O ATOM 11477 H1 TIP3 3050 55.633 60.046 -18.438 1.00 0.00 WT1 H ATOM 11478 H2 TIP3 3050 56.166 60.292 -17.042 1.00 0.00 WT1 H ATOM 11479 OH2 TIP3 3051 21.560 67.644 61.833 1.00 0.00 WT1 O ATOM 11480 H1 TIP3 3051 22.159 66.898 61.795 1.00 0.00 WT1 H ATOM 11481 H2 TIP3 3051 20.687 67.252 61.812 1.00 0.00 WT1 H ATOM 11482 OH2 TIP3 3052 34.336 40.886 5.161 1.00 0.00 WT1 O ATOM 11483 H1 TIP3 3052 33.427 41.065 5.400 1.00 0.00 WT1 H ATOM 11484 H2 TIP3 3052 34.841 41.567 5.606 1.00 0.00 WT1 H ATOM 11485 OH2 TIP3 3053 80.756 46.340 -10.620 1.00 0.00 WT1 O ATOM 11486 H1 TIP3 3053 81.275 45.637 -10.228 1.00 0.00 WT1 H ATOM 11487 H2 TIP3 3053 80.949 46.287 -11.556 1.00 0.00 WT1 H ATOM 11488 OH2 TIP3 3054 27.053 68.191 11.463 1.00 0.00 WT1 O ATOM 11489 H1 TIP3 3054 28.010 68.178 11.426 1.00 0.00 WT1 H ATOM 11490 H2 TIP3 3054 26.849 68.782 12.187 1.00 0.00 WT1 H ATOM 11491 OH2 TIP3 3056 44.430 52.601 23.212 1.00 0.00 WT1 O ATOM 11492 H1 TIP3 3056 44.118 53.451 23.523 1.00 0.00 WT1 H ATOM 11493 H2 TIP3 3056 44.744 52.158 24.000 1.00 0.00 WT1 H ATOM 11494 OH2 TIP3 3057 72.255 12.481 65.411 1.00 0.00 WT1 O ATOM 11495 H1 TIP3 3057 73.026 12.804 65.877 1.00 0.00 WT1 H ATOM 11496 H2 TIP3 3057 71.981 11.709 65.906 1.00 0.00 WT1 H ATOM 11497 OH2 TIP3 3059 69.336 90.627 45.338 1.00 0.00 WT1 O ATOM 11498 H1 TIP3 3059 69.287 91.072 44.492 1.00 0.00 WT1 H ATOM 11499 H2 TIP3 3059 69.172 91.316 45.982 1.00 0.00 WT1 H ATOM 11500 OH2 TIP3 3062 81.950 85.620 33.598 1.00 0.00 WT1 O ATOM 11501 H1 TIP3 3062 81.382 86.357 33.373 1.00 0.00 WT1 H ATOM 11502 H2 TIP3 3062 81.357 84.964 33.966 1.00 0.00 WT1 H ATOM 11503 OH2 TIP3 3063 84.603 35.243 -5.439 1.00 0.00 WT1 O ATOM 11504 H1 TIP3 3063 85.532 35.308 -5.659 1.00 0.00 WT1 H ATOM 11505 H2 TIP3 3063 84.291 34.485 -5.933 1.00 0.00 WT1 H ATOM 11506 OH2 TIP3 3065 51.672 16.385 1.745 1.00 0.00 WT1 O ATOM 11507 H1 TIP3 3065 51.158 17.186 1.849 1.00 0.00 WT1 H ATOM 11508 H2 TIP3 3065 52.321 16.424 2.448 1.00 0.00 WT1 H ATOM 11509 OH2 TIP3 3066 21.241 51.136 27.643 1.00 0.00 WT1 O ATOM 11510 H1 TIP3 3066 21.078 51.011 26.708 1.00 0.00 WT1 H ATOM 11511 H2 TIP3 3066 20.384 51.021 28.054 1.00 0.00 WT1 H ATOM 11512 OH2 TIP3 3067 51.075 38.400 10.397 1.00 0.00 WT1 O ATOM 11513 H1 TIP3 3067 50.888 38.763 11.263 1.00 0.00 WT1 H ATOM 11514 H2 TIP3 3067 51.276 37.479 10.562 1.00 0.00 WT1 H ATOM 11515 OH2 TIP3 3069 35.327 43.529 45.721 1.00 0.00 WT1 O ATOM 11516 H1 TIP3 3069 35.063 43.473 46.640 1.00 0.00 WT1 H ATOM 11517 H2 TIP3 3069 35.213 44.452 45.495 1.00 0.00 WT1 H ATOM 11518 OH2 TIP3 3070 63.749 19.904 34.117 1.00 0.00 WT1 O ATOM 11519 H1 TIP3 3070 63.960 19.675 33.212 1.00 0.00 WT1 H ATOM 11520 H2 TIP3 3070 64.385 20.581 34.348 1.00 0.00 WT1 H ATOM 11521 OH2 TIP3 3071 90.092 11.246 62.442 1.00 0.00 WT1 O ATOM 11522 H1 TIP3 3071 89.808 10.802 61.643 1.00 0.00 WT1 H ATOM 11523 H2 TIP3 3071 90.944 11.621 62.218 1.00 0.00 WT1 H ATOM 11524 OH2 TIP3 3072 43.326 70.986 14.460 1.00 0.00 WT1 O ATOM 11525 H1 TIP3 3072 44.009 70.332 14.308 1.00 0.00 WT1 H ATOM 11526 H2 TIP3 3072 42.523 70.475 14.559 1.00 0.00 WT1 H ATOM 11527 OH2 TIP3 3073 69.069 83.383 -16.326 1.00 0.00 WT1 O ATOM 11528 H1 TIP3 3073 68.169 83.272 -16.019 1.00 0.00 WT1 H ATOM 11529 H2 TIP3 3073 69.067 83.020 -17.212 1.00 0.00 WT1 H ATOM 11530 OH2 TIP3 3074 68.188 62.055 14.365 1.00 0.00 WT1 O ATOM 11531 H1 TIP3 3074 67.673 61.301 14.653 1.00 0.00 WT1 H ATOM 11532 H2 TIP3 3074 67.646 62.813 14.582 1.00 0.00 WT1 H ATOM 11533 OH2 TIP3 3075 67.696 9.479 -4.885 1.00 0.00 WT1 O ATOM 11534 H1 TIP3 3075 68.298 8.947 -5.406 1.00 0.00 WT1 H ATOM 11535 H2 TIP3 3075 68.074 10.358 -4.906 1.00 0.00 WT1 H ATOM 11536 OH2 TIP3 3077 69.320 65.452 17.902 1.00 0.00 WT1 O ATOM 11537 H1 TIP3 3077 68.460 65.401 17.485 1.00 0.00 WT1 H ATOM 11538 H2 TIP3 3077 69.376 64.660 18.436 1.00 0.00 WT1 H ATOM 11539 OH2 TIP3 3079 60.557 74.684 26.478 1.00 0.00 WT1 O ATOM 11540 H1 TIP3 3079 60.517 74.081 25.736 1.00 0.00 WT1 H ATOM 11541 H2 TIP3 3079 60.070 74.241 27.174 1.00 0.00 WT1 H ATOM 11542 OH2 TIP3 3080 27.547 18.942 45.685 1.00 0.00 WT1 O ATOM 11543 H1 TIP3 3080 26.936 19.060 44.958 1.00 0.00 WT1 H ATOM 11544 H2 TIP3 3080 28.403 19.157 45.316 1.00 0.00 WT1 H ATOM 11545 OH2 TIP3 3081 53.568 88.054 23.838 1.00 0.00 WT1 O ATOM 11546 H1 TIP3 3081 52.860 88.506 23.379 1.00 0.00 WT1 H ATOM 11547 H2 TIP3 3081 53.695 87.243 23.344 1.00 0.00 WT1 H ATOM 11548 OH2 TIP3 3082 54.954 21.783 18.515 1.00 0.00 WT1 O ATOM 11549 H1 TIP3 3082 54.146 21.282 18.402 1.00 0.00 WT1 H ATOM 11550 H2 TIP3 3082 54.831 22.257 19.337 1.00 0.00 WT1 H ATOM 11551 OH2 TIP3 3083 47.586 52.324 39.574 1.00 0.00 WT1 O ATOM 11552 H1 TIP3 3083 48.255 51.961 38.993 1.00 0.00 WT1 H ATOM 11553 H2 TIP3 3083 48.047 52.492 40.396 1.00 0.00 WT1 H ATOM 11554 OH2 TIP3 3084 47.727 20.727 59.837 1.00 0.00 WT1 O ATOM 11555 H1 TIP3 3084 48.264 20.955 60.596 1.00 0.00 WT1 H ATOM 11556 H2 TIP3 3084 48.359 20.552 59.140 1.00 0.00 WT1 H ATOM 11557 OH2 TIP3 3085 75.008 14.346 65.343 1.00 0.00 WT1 O ATOM 11558 H1 TIP3 3085 75.850 14.013 65.656 1.00 0.00 WT1 H ATOM 11559 H2 TIP3 3085 75.093 14.353 64.389 1.00 0.00 WT1 H ATOM 11560 OH2 TIP3 3086 59.179 62.517 -8.125 1.00 0.00 WT1 O ATOM 11561 H1 TIP3 3086 58.322 62.164 -7.884 1.00 0.00 WT1 H ATOM 11562 H2 TIP3 3086 59.029 62.963 -8.958 1.00 0.00 WT1 H ATOM 11563 OH2 TIP3 3087 51.509 9.350 3.481 1.00 0.00 WT1 O ATOM 11564 H1 TIP3 3087 50.816 9.912 3.134 1.00 0.00 WT1 H ATOM 11565 H2 TIP3 3087 51.053 8.566 3.787 1.00 0.00 WT1 H ATOM 11566 OH2 TIP3 3088 78.462 79.173 -17.489 1.00 0.00 WT1 O ATOM 11567 H1 TIP3 3088 77.783 79.059 -16.824 1.00 0.00 WT1 H ATOM 11568 H2 TIP3 3088 78.785 80.064 -17.352 1.00 0.00 WT1 H ATOM 11569 OH2 TIP3 3089 88.920 29.135 1.432 1.00 0.00 WT1 O ATOM 11570 H1 TIP3 3089 89.640 28.580 1.732 1.00 0.00 WT1 H ATOM 11571 H2 TIP3 3089 89.350 29.876 1.005 1.00 0.00 WT1 H ATOM 11572 OH2 TIP3 3090 58.607 44.974 53.733 1.00 0.00 WT1 O ATOM 11573 H1 TIP3 3090 59.172 45.096 54.496 1.00 0.00 WT1 H ATOM 11574 H2 TIP3 3090 57.719 44.979 54.089 1.00 0.00 WT1 H ATOM 11575 OH2 TIP3 3091 42.105 94.036 -8.467 1.00 0.00 WT1 O ATOM 11576 H1 TIP3 3091 42.953 94.446 -8.635 1.00 0.00 WT1 H ATOM 11577 H2 TIP3 3091 42.221 93.125 -8.734 1.00 0.00 WT1 H ATOM 11578 OH2 TIP3 3092 32.995 45.963 51.684 1.00 0.00 WT1 O ATOM 11579 H1 TIP3 3092 33.247 45.048 51.811 1.00 0.00 WT1 H ATOM 11580 H2 TIP3 3092 33.157 46.376 52.532 1.00 0.00 WT1 H ATOM 11581 OH2 TIP3 3093 41.423 24.471 27.372 1.00 0.00 WT1 O ATOM 11582 H1 TIP3 3093 41.573 23.870 26.642 1.00 0.00 WT1 H ATOM 11583 H2 TIP3 3093 40.474 24.593 27.390 1.00 0.00 WT1 H ATOM 11584 OH2 TIP3 3094 23.899 27.338 24.904 1.00 0.00 WT1 O ATOM 11585 H1 TIP3 3094 23.634 26.881 24.105 1.00 0.00 WT1 H ATOM 11586 H2 TIP3 3094 23.091 27.730 25.235 1.00 0.00 WT1 H ATOM 11587 OH2 TIP3 3095 41.566 42.652 -16.343 1.00 0.00 WT1 O ATOM 11588 H1 TIP3 3095 41.513 42.205 -15.498 1.00 0.00 WT1 H ATOM 11589 H2 TIP3 3095 42.199 43.356 -16.203 1.00 0.00 WT1 H ATOM 11590 OH2 TIP3 3096 36.247 17.678 11.152 1.00 0.00 WT1 O ATOM 11591 H1 TIP3 3096 35.673 17.834 10.402 1.00 0.00 WT1 H ATOM 11592 H2 TIP3 3096 37.063 17.359 10.767 1.00 0.00 WT1 H ATOM 11593 OH2 TIP3 3097 89.030 79.015 54.616 1.00 0.00 WT1 O ATOM 11594 H1 TIP3 3097 88.210 79.361 54.263 1.00 0.00 WT1 H ATOM 11595 H2 TIP3 3097 88.790 78.649 55.467 1.00 0.00 WT1 H ATOM 11596 OH2 TIP3 3098 84.391 31.044 14.361 1.00 0.00 WT1 O ATOM 11597 H1 TIP3 3098 83.554 30.895 13.921 1.00 0.00 WT1 H ATOM 11598 H2 TIP3 3098 84.224 30.816 15.276 1.00 0.00 WT1 H ATOM 11599 OH2 TIP3 3100 46.749 63.124 -7.661 1.00 0.00 WT1 O ATOM 11600 H1 TIP3 3100 45.796 63.213 -7.639 1.00 0.00 WT1 H ATOM 11601 H2 TIP3 3100 46.961 62.611 -6.882 1.00 0.00 WT1 H ATOM 11602 OH2 TIP3 3102 21.992 6.553 52.649 1.00 0.00 WT1 O ATOM 11603 H1 TIP3 3102 22.364 6.251 51.820 1.00 0.00 WT1 H ATOM 11604 H2 TIP3 3102 21.052 6.393 52.563 1.00 0.00 WT1 H ATOM 11605 OH2 TIP3 3103 32.034 50.670 51.863 1.00 0.00 WT1 O ATOM 11606 H1 TIP3 3103 32.803 50.367 52.346 1.00 0.00 WT1 H ATOM 11607 H2 TIP3 3103 31.294 50.254 52.306 1.00 0.00 WT1 H ATOM 11608 OH2 TIP3 3104 30.785 34.049 58.218 1.00 0.00 WT1 O ATOM 11609 H1 TIP3 3104 30.481 34.879 57.851 1.00 0.00 WT1 H ATOM 11610 H2 TIP3 3104 29.983 33.589 58.466 1.00 0.00 WT1 H ATOM 11611 OH2 TIP3 3105 89.280 85.357 12.126 1.00 0.00 WT1 O ATOM 11612 H1 TIP3 3105 88.795 84.795 11.522 1.00 0.00 WT1 H ATOM 11613 H2 TIP3 3105 89.107 84.984 12.991 1.00 0.00 WT1 H ATOM 11614 OH2 TIP3 3106 49.403 81.772 65.367 1.00 0.00 WT1 O ATOM 11615 H1 TIP3 3106 50.209 81.673 64.860 1.00 0.00 WT1 H ATOM 11616 H2 TIP3 3106 49.693 81.776 66.279 1.00 0.00 WT1 H ATOM 11617 OH2 TIP3 3107 85.082 12.935 49.764 1.00 0.00 WT1 O ATOM 11618 H1 TIP3 3107 85.036 12.893 50.720 1.00 0.00 WT1 H ATOM 11619 H2 TIP3 3107 84.542 13.690 49.531 1.00 0.00 WT1 H ATOM 11620 OH2 TIP3 3108 30.889 11.830 7.701 1.00 0.00 WT1 O ATOM 11621 H1 TIP3 3108 31.383 12.181 8.442 1.00 0.00 WT1 H ATOM 11622 H2 TIP3 3108 30.463 11.046 8.047 1.00 0.00 WT1 H ATOM 11623 OH2 TIP3 3109 87.621 10.374 5.293 1.00 0.00 WT1 O ATOM 11624 H1 TIP3 3109 86.688 10.276 5.100 1.00 0.00 WT1 H ATOM 11625 H2 TIP3 3109 87.685 10.244 6.239 1.00 0.00 WT1 H ATOM 11626 OH2 TIP3 3110 51.282 65.433 12.465 1.00 0.00 WT1 O ATOM 11627 H1 TIP3 3110 51.798 65.497 13.268 1.00 0.00 WT1 H ATOM 11628 H2 TIP3 3110 50.709 66.199 12.487 1.00 0.00 WT1 H ATOM 11629 OH2 TIP3 3111 51.882 35.720 11.356 1.00 0.00 WT1 O ATOM 11630 H1 TIP3 3111 52.067 35.979 12.259 1.00 0.00 WT1 H ATOM 11631 H2 TIP3 3111 51.186 35.067 11.432 1.00 0.00 WT1 H ATOM 11632 OH2 TIP3 3112 39.714 15.189 59.767 1.00 0.00 WT1 O ATOM 11633 H1 TIP3 3112 39.668 14.324 59.361 1.00 0.00 WT1 H ATOM 11634 H2 TIP3 3112 38.867 15.591 59.572 1.00 0.00 WT1 H ATOM 11635 OH2 TIP3 3113 88.644 13.703 5.008 1.00 0.00 WT1 O ATOM 11636 H1 TIP3 3113 88.177 14.353 5.533 1.00 0.00 WT1 H ATOM 11637 H2 TIP3 3113 89.003 13.089 5.648 1.00 0.00 WT1 H ATOM 11638 OH2 TIP3 3114 52.437 45.185 36.756 1.00 0.00 WT1 O ATOM 11639 H1 TIP3 3114 52.342 45.841 36.065 1.00 0.00 WT1 H ATOM 11640 H2 TIP3 3114 52.785 45.672 37.503 1.00 0.00 WT1 H ATOM 11641 OH2 TIP3 3115 62.271 38.700 -15.375 1.00 0.00 WT1 O ATOM 11642 H1 TIP3 3115 63.009 38.126 -15.168 1.00 0.00 WT1 H ATOM 11643 H2 TIP3 3115 61.504 38.129 -15.334 1.00 0.00 WT1 H ATOM 11644 OH2 TIP3 3116 48.407 40.422 0.614 1.00 0.00 WT1 O ATOM 11645 H1 TIP3 3116 47.572 40.889 0.605 1.00 0.00 WT1 H ATOM 11646 H2 TIP3 3116 48.504 40.121 1.517 1.00 0.00 WT1 H ATOM 11647 OH2 TIP3 3118 80.630 81.717 58.389 1.00 0.00 WT1 O ATOM 11648 H1 TIP3 3118 80.253 82.508 58.004 1.00 0.00 WT1 H ATOM 11649 H2 TIP3 3118 81.216 81.376 57.713 1.00 0.00 WT1 H ATOM 11650 OH2 TIP3 3119 78.224 32.560 62.327 1.00 0.00 WT1 O ATOM 11651 H1 TIP3 3119 77.914 32.222 61.487 1.00 0.00 WT1 H ATOM 11652 H2 TIP3 3119 77.487 33.066 62.669 1.00 0.00 WT1 H ATOM 11653 OH2 TIP3 3120 37.695 4.022 -8.743 1.00 0.00 WT1 O ATOM 11654 H1 TIP3 3120 37.911 4.405 -7.892 1.00 0.00 WT1 H ATOM 11655 H2 TIP3 3120 37.680 4.766 -9.344 1.00 0.00 WT1 H ATOM 11656 OH2 TIP3 3121 90.275 37.198 -10.282 1.00 0.00 WT1 O ATOM 11657 H1 TIP3 3121 89.333 37.049 -10.202 1.00 0.00 WT1 H ATOM 11658 H2 TIP3 3121 90.572 37.345 -9.383 1.00 0.00 WT1 H ATOM 11659 OH2 TIP3 3123 65.973 2.263 6.970 1.00 0.00 WT1 O ATOM 11660 H1 TIP3 3123 66.504 2.987 7.302 1.00 0.00 WT1 H ATOM 11661 H2 TIP3 3123 65.087 2.455 7.278 1.00 0.00 WT1 H ATOM 11662 OH2 TIP3 3124 26.586 14.205 43.298 1.00 0.00 WT1 O ATOM 11663 H1 TIP3 3124 26.151 14.201 42.445 1.00 0.00 WT1 H ATOM 11664 H2 TIP3 3124 26.367 15.057 43.675 1.00 0.00 WT1 H ATOM 11665 OH2 TIP3 3126 44.685 24.503 63.992 1.00 0.00 WT1 O ATOM 11666 H1 TIP3 3126 44.577 25.302 64.508 1.00 0.00 WT1 H ATOM 11667 H2 TIP3 3126 44.734 24.807 63.086 1.00 0.00 WT1 H ATOM 11668 OH2 TIP3 3128 84.682 88.465 4.159 1.00 0.00 WT1 O ATOM 11669 H1 TIP3 3128 85.382 87.895 3.839 1.00 0.00 WT1 H ATOM 11670 H2 TIP3 3128 84.059 87.870 4.575 1.00 0.00 WT1 H ATOM 11671 OH2 TIP3 3129 69.946 34.405 -9.471 1.00 0.00 WT1 O ATOM 11672 H1 TIP3 3129 70.812 34.203 -9.825 1.00 0.00 WT1 H ATOM 11673 H2 TIP3 3129 70.101 35.119 -8.852 1.00 0.00 WT1 H ATOM 11674 OH2 TIP3 3130 80.209 81.300 15.743 1.00 0.00 WT1 O ATOM 11675 H1 TIP3 3130 80.841 80.978 16.385 1.00 0.00 WT1 H ATOM 11676 H2 TIP3 3130 80.630 81.151 14.896 1.00 0.00 WT1 H ATOM 11677 OH2 TIP3 3131 69.846 5.789 21.438 1.00 0.00 WT1 O ATOM 11678 H1 TIP3 3131 70.649 6.263 21.224 1.00 0.00 WT1 H ATOM 11679 H2 TIP3 3131 69.252 5.982 20.713 1.00 0.00 WT1 H ATOM 11680 OH2 TIP3 3132 45.074 18.004 33.098 1.00 0.00 WT1 O ATOM 11681 H1 TIP3 3132 45.973 18.080 32.779 1.00 0.00 WT1 H ATOM 11682 H2 TIP3 3132 44.543 18.428 32.424 1.00 0.00 WT1 H ATOM 11683 OH2 TIP3 3134 44.509 61.053 16.077 1.00 0.00 WT1 O ATOM 11684 H1 TIP3 3134 45.323 61.538 16.212 1.00 0.00 WT1 H ATOM 11685 H2 TIP3 3134 43.934 61.671 15.624 1.00 0.00 WT1 H ATOM 11686 OH2 TIP3 3135 66.553 64.171 51.457 1.00 0.00 WT1 O ATOM 11687 H1 TIP3 3135 66.648 63.220 51.398 1.00 0.00 WT1 H ATOM 11688 H2 TIP3 3135 65.722 64.357 51.021 1.00 0.00 WT1 H ATOM 11689 OH2 TIP3 3136 42.906 68.923 1.006 1.00 0.00 WT1 O ATOM 11690 H1 TIP3 3136 42.679 68.094 1.427 1.00 0.00 WT1 H ATOM 11691 H2 TIP3 3136 42.941 69.556 1.724 1.00 0.00 WT1 H ATOM 11692 OH2 TIP3 3137 32.997 87.414 38.001 1.00 0.00 WT1 O ATOM 11693 H1 TIP3 3137 32.145 87.132 38.334 1.00 0.00 WT1 H ATOM 11694 H2 TIP3 3137 33.021 87.091 37.101 1.00 0.00 WT1 H ATOM 11695 OH2 TIP3 3138 22.331 44.623 32.943 1.00 0.00 WT1 O ATOM 11696 H1 TIP3 3138 22.121 45.295 32.296 1.00 0.00 WT1 H ATOM 11697 H2 TIP3 3138 21.563 44.589 33.513 1.00 0.00 WT1 H ATOM 11698 OH2 TIP3 3139 34.551 33.678 49.109 1.00 0.00 WT1 O ATOM 11699 H1 TIP3 3139 34.918 33.826 49.981 1.00 0.00 WT1 H ATOM 11700 H2 TIP3 3139 34.341 32.744 49.093 1.00 0.00 WT1 H ATOM 11701 OH2 TIP3 3140 75.503 49.632 -4.978 1.00 0.00 WT1 O ATOM 11702 H1 TIP3 3140 75.029 49.057 -5.578 1.00 0.00 WT1 H ATOM 11703 H2 TIP3 3140 75.032 50.465 -5.021 1.00 0.00 WT1 H ATOM 11704 OH2 TIP3 3142 42.942 6.460 -7.328 1.00 0.00 WT1 O ATOM 11705 H1 TIP3 3142 42.850 7.225 -6.760 1.00 0.00 WT1 H ATOM 11706 H2 TIP3 3142 43.345 5.794 -6.771 1.00 0.00 WT1 H ATOM 11707 OH2 TIP3 3143 48.552 62.591 6.421 1.00 0.00 WT1 O ATOM 11708 H1 TIP3 3143 48.407 62.983 7.282 1.00 0.00 WT1 H ATOM 11709 H2 TIP3 3143 49.404 62.161 6.495 1.00 0.00 WT1 H ATOM 11710 OH2 TIP3 3144 25.596 35.070 66.347 1.00 0.00 WT1 O ATOM 11711 H1 TIP3 3144 26.337 35.503 65.922 1.00 0.00 WT1 H ATOM 11712 H2 TIP3 3144 25.959 34.715 67.158 1.00 0.00 WT1 H ATOM 11713 OH2 TIP3 3145 61.856 34.961 41.009 1.00 0.00 WT1 O ATOM 11714 H1 TIP3 3145 62.115 34.764 40.108 1.00 0.00 WT1 H ATOM 11715 H2 TIP3 3145 62.162 35.855 41.157 1.00 0.00 WT1 H ATOM 11716 OH2 TIP3 3146 32.368 91.015 37.018 1.00 0.00 WT1 O ATOM 11717 H1 TIP3 3146 31.660 90.735 37.599 1.00 0.00 WT1 H ATOM 11718 H2 TIP3 3146 33.122 90.492 37.288 1.00 0.00 WT1 H ATOM 11719 OH2 TIP3 3147 87.079 35.026 9.305 1.00 0.00 WT1 O ATOM 11720 H1 TIP3 3147 86.653 34.232 8.981 1.00 0.00 WT1 H ATOM 11721 H2 TIP3 3147 87.386 34.793 10.181 1.00 0.00 WT1 H ATOM 11722 OH2 TIP3 3148 69.208 49.695 40.214 1.00 0.00 WT1 O ATOM 11723 H1 TIP3 3148 69.089 50.643 40.155 1.00 0.00 WT1 H ATOM 11724 H2 TIP3 3148 68.952 49.367 39.352 1.00 0.00 WT1 H ATOM 11725 OH2 TIP3 3149 57.965 28.440 -19.499 1.00 0.00 WT1 O ATOM 11726 H1 TIP3 3149 58.646 28.781 -20.080 1.00 0.00 WT1 H ATOM 11727 H2 TIP3 3149 57.346 29.164 -19.405 1.00 0.00 WT1 H ATOM 11728 OH2 TIP3 3150 82.632 2.049 47.291 1.00 0.00 WT1 O ATOM 11729 H1 TIP3 3150 82.526 2.977 47.501 1.00 0.00 WT1 H ATOM 11730 H2 TIP3 3150 82.940 2.041 46.385 1.00 0.00 WT1 H ATOM 11731 OH2 TIP3 3152 59.233 11.244 37.689 1.00 0.00 WT1 O ATOM 11732 H1 TIP3 3152 59.767 11.758 37.084 1.00 0.00 WT1 H ATOM 11733 H2 TIP3 3152 58.427 11.750 37.787 1.00 0.00 WT1 H ATOM 11734 OH2 TIP3 3153 46.631 48.739 1.849 1.00 0.00 WT1 O ATOM 11735 H1 TIP3 3153 46.968 48.412 2.683 1.00 0.00 WT1 H ATOM 11736 H2 TIP3 3153 46.338 49.630 2.042 1.00 0.00 WT1 H ATOM 11737 OH2 TIP3 3154 43.398 96.319 -18.746 1.00 0.00 WT1 O ATOM 11738 H1 TIP3 3154 42.835 95.729 -18.244 1.00 0.00 WT1 H ATOM 11739 H2 TIP3 3154 43.303 96.027 -19.652 1.00 0.00 WT1 H ATOM 11740 OH2 TIP3 3155 65.537 35.003 10.045 1.00 0.00 WT1 O ATOM 11741 H1 TIP3 3155 64.688 35.377 9.810 1.00 0.00 WT1 H ATOM 11742 H2 TIP3 3155 66.177 35.638 9.722 1.00 0.00 WT1 H ATOM 11743 OH2 TIP3 3157 88.091 43.175 -13.393 1.00 0.00 WT1 O ATOM 11744 H1 TIP3 3157 87.338 43.219 -12.804 1.00 0.00 WT1 H ATOM 11745 H2 TIP3 3157 87.894 42.446 -13.981 1.00 0.00 WT1 H ATOM 11746 OH2 TIP3 3158 80.451 24.032 36.112 1.00 0.00 WT1 O ATOM 11747 H1 TIP3 3158 80.802 23.913 35.229 1.00 0.00 WT1 H ATOM 11748 H2 TIP3 3158 79.734 23.400 36.172 1.00 0.00 WT1 H ATOM 11749 OH2 TIP3 3159 73.647 0.946 36.344 1.00 0.00 WT1 O ATOM 11750 H1 TIP3 3159 73.644 1.810 36.757 1.00 0.00 WT1 H ATOM 11751 H2 TIP3 3159 72.726 0.769 36.151 1.00 0.00 WT1 H ATOM 11752 OH2 TIP3 3160 70.578 35.898 3.835 1.00 0.00 WT1 O ATOM 11753 H1 TIP3 3160 69.935 35.935 4.543 1.00 0.00 WT1 H ATOM 11754 H2 TIP3 3160 71.229 36.560 4.067 1.00 0.00 WT1 H ATOM 11755 OH2 TIP3 3161 73.382 27.014 17.603 1.00 0.00 WT1 O ATOM 11756 H1 TIP3 3161 73.580 26.077 17.609 1.00 0.00 WT1 H ATOM 11757 H2 TIP3 3161 73.857 27.354 16.845 1.00 0.00 WT1 H ATOM 11758 OH2 TIP3 3163 29.356 10.935 -10.557 1.00 0.00 WT1 O ATOM 11759 H1 TIP3 3163 29.690 10.180 -10.072 1.00 0.00 WT1 H ATOM 11760 H2 TIP3 3163 28.656 10.580 -11.104 1.00 0.00 WT1 H ATOM 11761 OH2 TIP3 3164 28.217 15.178 -16.617 1.00 0.00 WT1 O ATOM 11762 H1 TIP3 3164 28.001 14.246 -16.585 1.00 0.00 WT1 H ATOM 11763 H2 TIP3 3164 28.650 15.353 -15.781 1.00 0.00 WT1 H ATOM 11764 OH2 TIP3 3166 38.551 57.300 -7.991 1.00 0.00 WT1 O ATOM 11765 H1 TIP3 3166 38.024 57.281 -7.192 1.00 0.00 WT1 H ATOM 11766 H2 TIP3 3166 39.241 57.939 -7.808 1.00 0.00 WT1 H ATOM 11767 OH2 TIP3 3167 30.422 55.552 22.420 1.00 0.00 WT1 O ATOM 11768 H1 TIP3 3167 30.819 54.815 21.955 1.00 0.00 WT1 H ATOM 11769 H2 TIP3 3167 31.119 56.206 22.472 1.00 0.00 WT1 H ATOM 11770 OH2 TIP3 3168 23.062 77.116 -7.110 1.00 0.00 WT1 O ATOM 11771 H1 TIP3 3168 23.828 77.000 -6.548 1.00 0.00 WT1 H ATOM 11772 H2 TIP3 3168 23.089 78.039 -7.365 1.00 0.00 WT1 H ATOM 11773 OH2 TIP3 3169 30.709 2.785 62.367 1.00 0.00 WT1 O ATOM 11774 H1 TIP3 3169 30.951 2.025 62.895 1.00 0.00 WT1 H ATOM 11775 H2 TIP3 3169 31.526 3.272 62.259 1.00 0.00 WT1 H ATOM 11776 OH2 TIP3 3171 86.362 35.638 43.682 1.00 0.00 WT1 O ATOM 11777 H1 TIP3 3171 85.594 35.117 43.447 1.00 0.00 WT1 H ATOM 11778 H2 TIP3 3171 86.556 36.148 42.896 1.00 0.00 WT1 H ATOM 11779 OH2 TIP3 3173 55.010 94.176 58.177 1.00 0.00 WT1 O ATOM 11780 H1 TIP3 3173 55.325 94.886 57.618 1.00 0.00 WT1 H ATOM 11781 H2 TIP3 3173 54.400 93.688 57.624 1.00 0.00 WT1 H ATOM 11782 OH2 TIP3 3174 69.753 26.806 3.426 1.00 0.00 WT1 O ATOM 11783 H1 TIP3 3174 69.763 27.488 2.755 1.00 0.00 WT1 H ATOM 11784 H2 TIP3 3174 70.566 26.320 3.288 1.00 0.00 WT1 H ATOM 11785 OH2 TIP3 3175 77.658 42.758 28.615 1.00 0.00 WT1 O ATOM 11786 H1 TIP3 3175 78.149 41.987 28.332 1.00 0.00 WT1 H ATOM 11787 H2 TIP3 3175 76.808 42.673 28.184 1.00 0.00 WT1 H ATOM 11788 OH2 TIP3 3176 23.141 28.552 -3.713 1.00 0.00 WT1 O ATOM 11789 H1 TIP3 3176 22.562 28.347 -4.448 1.00 0.00 WT1 H ATOM 11790 H2 TIP3 3176 24.006 28.651 -4.110 1.00 0.00 WT1 H ATOM 11791 OH2 TIP3 3177 83.438 79.925 41.964 1.00 0.00 WT1 O ATOM 11792 H1 TIP3 3177 83.180 80.610 41.347 1.00 0.00 WT1 H ATOM 11793 H2 TIP3 3177 82.647 79.399 42.083 1.00 0.00 WT1 H ATOM 11794 OH2 TIP3 3179 46.983 0.547 33.841 1.00 0.00 WT1 O ATOM 11795 H1 TIP3 3179 47.542 -0.031 33.321 1.00 0.00 WT1 H ATOM 11796 H2 TIP3 3179 47.495 0.730 34.629 1.00 0.00 WT1 H ATOM 11797 OH2 TIP3 3180 52.737 30.542 -5.553 1.00 0.00 WT1 O ATOM 11798 H1 TIP3 3180 52.017 30.823 -4.988 1.00 0.00 WT1 H ATOM 11799 H2 TIP3 3180 53.189 31.353 -5.787 1.00 0.00 WT1 H ATOM 11800 OH2 TIP3 3181 73.240 59.693 59.607 1.00 0.00 WT1 O ATOM 11801 H1 TIP3 3181 72.475 60.020 59.133 1.00 0.00 WT1 H ATOM 11802 H2 TIP3 3181 73.668 60.480 59.943 1.00 0.00 WT1 H ATOM 11803 OH2 TIP3 3183 68.801 34.765 -18.674 1.00 0.00 WT1 O ATOM 11804 H1 TIP3 3183 68.246 33.999 -18.528 1.00 0.00 WT1 H ATOM 11805 H2 TIP3 3183 68.954 35.120 -17.798 1.00 0.00 WT1 H ATOM 11806 OH2 TIP3 3184 51.024 61.776 6.104 1.00 0.00 WT1 O ATOM 11807 H1 TIP3 3184 51.800 61.863 5.550 1.00 0.00 WT1 H ATOM 11808 H2 TIP3 3184 51.314 62.060 6.970 1.00 0.00 WT1 H ATOM 11809 OH2 TIP3 3186 40.724 11.294 -16.342 1.00 0.00 WT1 O ATOM 11810 H1 TIP3 3186 39.875 10.853 -16.318 1.00 0.00 WT1 H ATOM 11811 H2 TIP3 3186 40.918 11.390 -17.275 1.00 0.00 WT1 H ATOM 11812 OH2 TIP3 3187 54.375 7.880 22.128 1.00 0.00 WT1 O ATOM 11813 H1 TIP3 3187 54.159 7.686 21.216 1.00 0.00 WT1 H ATOM 11814 H2 TIP3 3187 55.119 8.480 22.076 1.00 0.00 WT1 H ATOM 11815 OH2 TIP3 3188 34.170 24.854 30.092 1.00 0.00 WT1 O ATOM 11816 H1 TIP3 3188 33.558 25.574 29.937 1.00 0.00 WT1 H ATOM 11817 H2 TIP3 3188 35.033 25.268 30.094 1.00 0.00 WT1 H ATOM 11818 OH2 TIP3 3189 89.497 22.901 4.620 1.00 0.00 WT1 O ATOM 11819 H1 TIP3 3189 90.438 22.805 4.765 1.00 0.00 WT1 H ATOM 11820 H2 TIP3 3189 89.102 22.694 5.467 1.00 0.00 WT1 H ATOM 11821 OH2 TIP3 3190 90.527 1.801 52.322 1.00 0.00 WT1 O ATOM 11822 H1 TIP3 3190 90.259 1.815 53.241 1.00 0.00 WT1 H ATOM 11823 H2 TIP3 3190 90.549 0.872 52.093 1.00 0.00 WT1 H ATOM 11824 OH2 TIP3 3191 75.017 42.894 11.682 1.00 0.00 WT1 O ATOM 11825 H1 TIP3 3191 74.826 41.970 11.845 1.00 0.00 WT1 H ATOM 11826 H2 TIP3 3191 74.398 43.149 10.999 1.00 0.00 WT1 H ATOM 11827 OH2 TIP3 3192 50.164 4.654 -18.703 1.00 0.00 WT1 O ATOM 11828 H1 TIP3 3192 49.360 4.755 -18.193 1.00 0.00 WT1 H ATOM 11829 H2 TIP3 3192 50.869 4.745 -18.062 1.00 0.00 WT1 H ATOM 11830 OH2 TIP3 3193 82.294 14.490 -14.059 1.00 0.00 WT1 O ATOM 11831 H1 TIP3 3193 81.571 14.528 -14.685 1.00 0.00 WT1 H ATOM 11832 H2 TIP3 3193 82.888 15.188 -14.336 1.00 0.00 WT1 H ATOM 11833 OH2 TIP3 3194 73.680 31.493 -2.597 1.00 0.00 WT1 O ATOM 11834 H1 TIP3 3194 73.981 32.152 -1.972 1.00 0.00 WT1 H ATOM 11835 H2 TIP3 3194 72.728 31.590 -2.609 1.00 0.00 WT1 H ATOM 11836 OH2 TIP3 3195 24.224 94.474 15.706 1.00 0.00 WT1 O ATOM 11837 H1 TIP3 3195 24.537 95.283 16.113 1.00 0.00 WT1 H ATOM 11838 H2 TIP3 3195 24.061 93.883 16.442 1.00 0.00 WT1 H ATOM 11839 OH2 TIP3 3196 59.456 23.176 31.257 1.00 0.00 WT1 O ATOM 11840 H1 TIP3 3196 59.308 23.671 32.063 1.00 0.00 WT1 H ATOM 11841 H2 TIP3 3196 58.701 23.382 30.706 1.00 0.00 WT1 H ATOM 11842 OH2 TIP3 3197 56.366 26.772 14.723 1.00 0.00 WT1 O ATOM 11843 H1 TIP3 3197 55.629 26.208 14.960 1.00 0.00 WT1 H ATOM 11844 H2 TIP3 3197 56.208 27.586 15.201 1.00 0.00 WT1 H ATOM 11845 OH2 TIP3 3198 62.334 11.506 41.494 1.00 0.00 WT1 O ATOM 11846 H1 TIP3 3198 61.752 11.904 40.848 1.00 0.00 WT1 H ATOM 11847 H2 TIP3 3198 61.875 11.609 42.328 1.00 0.00 WT1 H ATOM 11848 OH2 TIP3 3199 62.774 28.632 62.533 1.00 0.00 WT1 O ATOM 11849 H1 TIP3 3199 63.253 28.507 61.714 1.00 0.00 WT1 H ATOM 11850 H2 TIP3 3199 62.978 29.530 62.796 1.00 0.00 WT1 H ATOM 11851 OH2 TIP3 3200 64.259 22.886 35.147 1.00 0.00 WT1 O ATOM 11852 H1 TIP3 3200 63.679 23.271 34.491 1.00 0.00 WT1 H ATOM 11853 H2 TIP3 3200 64.773 23.623 35.477 1.00 0.00 WT1 H ATOM 11854 OH2 TIP3 3202 47.768 96.758 -15.892 1.00 0.00 WT1 O ATOM 11855 H1 TIP3 3202 47.275 96.773 -15.072 1.00 0.00 WT1 H ATOM 11856 H2 TIP3 3202 48.154 95.883 -15.923 1.00 0.00 WT1 H ATOM 11857 OH2 TIP3 3206 77.814 18.562 -14.243 1.00 0.00 WT1 O ATOM 11858 H1 TIP3 3206 76.892 18.450 -14.477 1.00 0.00 WT1 H ATOM 11859 H2 TIP3 3206 77.919 19.506 -14.128 1.00 0.00 WT1 H ATOM 11860 OH2 TIP3 3207 73.837 57.662 -12.245 1.00 0.00 WT1 O ATOM 11861 H1 TIP3 3207 73.137 57.910 -12.848 1.00 0.00 WT1 H ATOM 11862 H2 TIP3 3207 73.994 58.449 -11.722 1.00 0.00 WT1 H ATOM 11863 OH2 TIP3 3208 49.217 46.111 57.440 1.00 0.00 WT1 O ATOM 11864 H1 TIP3 3208 50.077 46.528 57.384 1.00 0.00 WT1 H ATOM 11865 H2 TIP3 3208 48.606 46.777 57.126 1.00 0.00 WT1 H ATOM 11866 OH2 TIP3 3209 61.785 0.277 25.529 1.00 0.00 WT1 O ATOM 11867 H1 TIP3 3209 60.830 0.222 25.483 1.00 0.00 WT1 H ATOM 11868 H2 TIP3 3209 61.970 0.480 26.446 1.00 0.00 WT1 H ATOM 11869 OH2 TIP3 3210 81.018 73.966 48.260 1.00 0.00 WT1 O ATOM 11870 H1 TIP3 3210 80.364 73.267 48.253 1.00 0.00 WT1 H ATOM 11871 H2 TIP3 3210 81.822 73.539 48.556 1.00 0.00 WT1 H ATOM 11872 OH2 TIP3 3211 40.941 63.564 47.691 1.00 0.00 WT1 O ATOM 11873 H1 TIP3 3211 41.005 63.552 46.736 1.00 0.00 WT1 H ATOM 11874 H2 TIP3 3211 41.713 64.053 47.977 1.00 0.00 WT1 H ATOM 11875 OH2 TIP3 3212 26.075 80.473 64.602 1.00 0.00 WT1 O ATOM 11876 H1 TIP3 3212 26.695 80.783 65.262 1.00 0.00 WT1 H ATOM 11877 H2 TIP3 3212 26.425 80.797 63.772 1.00 0.00 WT1 H ATOM 11878 OH2 TIP3 3213 29.683 76.709 58.376 1.00 0.00 WT1 O ATOM 11879 H1 TIP3 3213 29.832 76.277 59.217 1.00 0.00 WT1 H ATOM 11880 H2 TIP3 3213 28.827 77.127 58.469 1.00 0.00 WT1 H ATOM 11881 OH2 TIP3 3214 59.432 90.241 0.054 1.00 0.00 WT1 O ATOM 11882 H1 TIP3 3214 59.857 89.666 -0.582 1.00 0.00 WT1 H ATOM 11883 H2 TIP3 3214 58.564 90.407 -0.314 1.00 0.00 WT1 H ATOM 11884 OH2 TIP3 3215 26.751 6.945 1.138 1.00 0.00 WT1 O ATOM 11885 H1 TIP3 3215 26.348 7.739 0.787 1.00 0.00 WT1 H ATOM 11886 H2 TIP3 3215 27.357 6.660 0.453 1.00 0.00 WT1 H ATOM 11887 OH2 TIP3 3216 35.085 27.366 64.941 1.00 0.00 WT1 O ATOM 11888 H1 TIP3 3216 34.573 26.563 64.845 1.00 0.00 WT1 H ATOM 11889 H2 TIP3 3216 35.969 27.062 65.150 1.00 0.00 WT1 H ATOM 11890 OH2 TIP3 3217 24.480 62.534 45.121 1.00 0.00 WT1 O ATOM 11891 H1 TIP3 3217 24.732 63.263 45.688 1.00 0.00 WT1 H ATOM 11892 H2 TIP3 3217 24.642 61.752 45.649 1.00 0.00 WT1 H ATOM 11893 OH2 TIP3 3218 32.313 29.026 -14.752 1.00 0.00 WT1 O ATOM 11894 H1 TIP3 3218 33.036 28.623 -14.272 1.00 0.00 WT1 H ATOM 11895 H2 TIP3 3218 32.587 29.934 -14.880 1.00 0.00 WT1 H ATOM 11896 OH2 TIP3 3219 44.441 41.419 -9.858 1.00 0.00 WT1 O ATOM 11897 H1 TIP3 3219 45.235 40.987 -10.176 1.00 0.00 WT1 H ATOM 11898 H2 TIP3 3219 44.027 40.771 -9.289 1.00 0.00 WT1 H ATOM 11899 OH2 TIP3 3220 84.216 90.658 -2.264 1.00 0.00 WT1 O ATOM 11900 H1 TIP3 3220 85.085 90.428 -2.592 1.00 0.00 WT1 H ATOM 11901 H2 TIP3 3220 83.616 90.106 -2.766 1.00 0.00 WT1 H ATOM 11902 OH2 TIP3 3223 81.380 15.114 37.773 1.00 0.00 WT1 O ATOM 11903 H1 TIP3 3223 82.086 15.068 37.129 1.00 0.00 WT1 H ATOM 11904 H2 TIP3 3223 80.887 14.303 37.647 1.00 0.00 WT1 H ATOM 11905 OH2 TIP3 3225 55.877 26.449 63.175 1.00 0.00 WT1 O ATOM 11906 H1 TIP3 3225 55.939 26.343 64.125 1.00 0.00 WT1 H ATOM 11907 H2 TIP3 3225 55.022 26.084 62.948 1.00 0.00 WT1 H ATOM 11908 OH2 TIP3 3226 80.070 13.360 -8.739 1.00 0.00 WT1 O ATOM 11909 H1 TIP3 3226 80.309 12.473 -9.008 1.00 0.00 WT1 H ATOM 11910 H2 TIP3 3226 79.434 13.646 -9.394 1.00 0.00 WT1 H ATOM 11911 OH2 TIP3 3227 46.020 9.804 -13.739 1.00 0.00 WT1 O ATOM 11912 H1 TIP3 3227 45.861 9.089 -13.123 1.00 0.00 WT1 H ATOM 11913 H2 TIP3 3227 45.158 10.197 -13.879 1.00 0.00 WT1 H ATOM 11914 OH2 TIP3 3228 36.576 92.388 18.853 1.00 0.00 WT1 O ATOM 11915 H1 TIP3 3228 36.539 91.930 19.693 1.00 0.00 WT1 H ATOM 11916 H2 TIP3 3228 37.392 92.886 18.887 1.00 0.00 WT1 H ATOM 11917 OH2 TIP3 3230 89.432 91.213 41.829 1.00 0.00 WT1 O ATOM 11918 H1 TIP3 3230 88.942 90.812 41.111 1.00 0.00 WT1 H ATOM 11919 H2 TIP3 3230 90.262 90.737 41.849 1.00 0.00 WT1 H ATOM 11920 OH2 TIP3 3231 73.644 5.259 63.152 1.00 0.00 WT1 O ATOM 11921 H1 TIP3 3231 73.555 6.175 63.413 1.00 0.00 WT1 H ATOM 11922 H2 TIP3 3231 73.163 4.771 63.821 1.00 0.00 WT1 H ATOM 11923 OH2 TIP3 3232 39.623 82.129 27.701 1.00 0.00 WT1 O ATOM 11924 H1 TIP3 3232 39.300 81.955 26.817 1.00 0.00 WT1 H ATOM 11925 H2 TIP3 3232 40.036 81.308 27.971 1.00 0.00 WT1 H ATOM 11926 OH2 TIP3 3233 49.205 40.044 -12.456 1.00 0.00 WT1 O ATOM 11927 H1 TIP3 3233 49.346 39.759 -11.553 1.00 0.00 WT1 H ATOM 11928 H2 TIP3 3233 48.954 39.246 -12.922 1.00 0.00 WT1 H ATOM 11929 OH2 TIP3 3234 60.809 58.232 -10.989 1.00 0.00 WT1 O ATOM 11930 H1 TIP3 3234 61.283 58.940 -11.424 1.00 0.00 WT1 H ATOM 11931 H2 TIP3 3234 60.422 57.727 -11.704 1.00 0.00 WT1 H ATOM 11932 OH2 TIP3 3235 83.563 43.746 49.766 1.00 0.00 WT1 O ATOM 11933 H1 TIP3 3235 83.614 44.549 49.249 1.00 0.00 WT1 H ATOM 11934 H2 TIP3 3235 83.190 43.098 49.168 1.00 0.00 WT1 H ATOM 11935 OH2 TIP3 3236 58.574 24.710 -16.707 1.00 0.00 WT1 O ATOM 11936 H1 TIP3 3236 58.688 25.122 -15.851 1.00 0.00 WT1 H ATOM 11937 H2 TIP3 3236 57.679 24.932 -16.963 1.00 0.00 WT1 H ATOM 11938 OH2 TIP3 3237 38.165 78.860 42.050 1.00 0.00 WT1 O ATOM 11939 H1 TIP3 3237 37.627 79.366 41.441 1.00 0.00 WT1 H ATOM 11940 H2 TIP3 3237 38.217 77.989 41.658 1.00 0.00 WT1 H ATOM 11941 OH2 TIP3 3238 29.761 6.384 -3.318 1.00 0.00 WT1 O ATOM 11942 H1 TIP3 3238 29.492 5.479 -3.473 1.00 0.00 WT1 H ATOM 11943 H2 TIP3 3238 30.131 6.671 -4.153 1.00 0.00 WT1 H ATOM 11944 OH2 TIP3 3239 86.995 15.785 6.240 1.00 0.00 WT1 O ATOM 11945 H1 TIP3 3239 87.661 15.989 6.896 1.00 0.00 WT1 H ATOM 11946 H2 TIP3 3239 86.273 16.382 6.437 1.00 0.00 WT1 H ATOM 11947 OH2 TIP3 3240 63.263 59.939 34.543 1.00 0.00 WT1 O ATOM 11948 H1 TIP3 3240 63.278 59.126 35.049 1.00 0.00 WT1 H ATOM 11949 H2 TIP3 3240 62.527 59.833 33.940 1.00 0.00 WT1 H ATOM 11950 OH2 TIP3 3241 27.437 58.667 12.007 1.00 0.00 WT1 O ATOM 11951 H1 TIP3 3241 26.869 57.905 12.118 1.00 0.00 WT1 H ATOM 11952 H2 TIP3 3241 26.879 59.415 12.222 1.00 0.00 WT1 H ATOM 11953 OH2 TIP3 3242 83.627 70.844 14.085 1.00 0.00 WT1 O ATOM 11954 H1 TIP3 3242 83.373 70.981 14.997 1.00 0.00 WT1 H ATOM 11955 H2 TIP3 3242 84.500 70.456 14.134 1.00 0.00 WT1 H ATOM 11956 OH2 TIP3 3243 69.966 85.396 34.957 1.00 0.00 WT1 O ATOM 11957 H1 TIP3 3243 69.207 85.167 35.494 1.00 0.00 WT1 H ATOM 11958 H2 TIP3 3243 70.721 85.184 35.506 1.00 0.00 WT1 H ATOM 11959 OH2 TIP3 3244 57.316 1.099 -5.869 1.00 0.00 WT1 O ATOM 11960 H1 TIP3 3244 56.416 0.870 -5.636 1.00 0.00 WT1 H ATOM 11961 H2 TIP3 3244 57.673 1.501 -5.078 1.00 0.00 WT1 H ATOM 11962 OH2 TIP3 3245 84.197 9.636 9.714 1.00 0.00 WT1 O ATOM 11963 H1 TIP3 3245 84.126 10.550 9.441 1.00 0.00 WT1 H ATOM 11964 H2 TIP3 3245 84.292 9.147 8.896 1.00 0.00 WT1 H ATOM 11965 OH2 TIP3 3246 40.072 9.651 23.065 1.00 0.00 WT1 O ATOM 11966 H1 TIP3 3246 39.535 10.270 23.559 1.00 0.00 WT1 H ATOM 11967 H2 TIP3 3246 40.972 9.937 23.219 1.00 0.00 WT1 H ATOM 11968 OH2 TIP3 3247 80.832 85.769 -1.520 1.00 0.00 WT1 O ATOM 11969 H1 TIP3 3247 80.341 86.582 -1.402 1.00 0.00 WT1 H ATOM 11970 H2 TIP3 3247 81.683 85.943 -1.117 1.00 0.00 WT1 H ATOM 11971 OH2 TIP3 3249 55.886 1.382 -10.985 1.00 0.00 WT1 O ATOM 11972 H1 TIP3 3249 55.759 0.570 -11.477 1.00 0.00 WT1 H ATOM 11973 H2 TIP3 3249 56.330 1.109 -10.182 1.00 0.00 WT1 H ATOM 11974 OH2 TIP3 3250 67.162 73.516 38.241 1.00 0.00 WT1 O ATOM 11975 H1 TIP3 3250 67.460 72.945 37.533 1.00 0.00 WT1 H ATOM 11976 H2 TIP3 3250 66.289 73.191 38.461 1.00 0.00 WT1 H ATOM 11977 OH2 TIP3 3251 63.858 46.917 66.542 1.00 0.00 WT1 O ATOM 11978 H1 TIP3 3251 63.547 47.696 66.082 1.00 0.00 WT1 H ATOM 11979 H2 TIP3 3251 63.659 47.087 67.463 1.00 0.00 WT1 H ATOM 11980 OH2 TIP3 3252 38.187 1.397 60.353 1.00 0.00 WT1 O ATOM 11981 H1 TIP3 3252 37.538 2.043 60.632 1.00 0.00 WT1 H ATOM 11982 H2 TIP3 3252 37.861 0.565 60.696 1.00 0.00 WT1 H ATOM 11983 OH2 TIP3 3253 22.645 94.186 -6.510 1.00 0.00 WT1 O ATOM 11984 H1 TIP3 3253 22.603 94.553 -5.627 1.00 0.00 WT1 H ATOM 11985 H2 TIP3 3253 22.481 93.251 -6.389 1.00 0.00 WT1 H ATOM 11986 OH2 TIP3 3254 33.144 83.319 65.488 1.00 0.00 WT1 O ATOM 11987 H1 TIP3 3254 32.673 82.488 65.440 1.00 0.00 WT1 H ATOM 11988 H2 TIP3 3254 33.807 83.181 66.165 1.00 0.00 WT1 H ATOM 11989 OH2 TIP3 3255 70.624 5.456 -19.090 1.00 0.00 WT1 O ATOM 11990 H1 TIP3 3255 71.094 4.623 -19.115 1.00 0.00 WT1 H ATOM 11991 H2 TIP3 3255 69.716 5.225 -19.290 1.00 0.00 WT1 H ATOM 11992 OH2 TIP3 3256 22.938 50.732 54.719 1.00 0.00 WT1 O ATOM 11993 H1 TIP3 3256 22.681 49.841 54.959 1.00 0.00 WT1 H ATOM 11994 H2 TIP3 3256 23.391 50.634 53.882 1.00 0.00 WT1 H ATOM 11995 OH2 TIP3 3257 64.852 55.215 54.156 1.00 0.00 WT1 O ATOM 11996 H1 TIP3 3257 64.751 54.823 53.289 1.00 0.00 WT1 H ATOM 11997 H2 TIP3 3257 65.196 56.092 53.985 1.00 0.00 WT1 H ATOM 11998 OH2 TIP3 3258 74.140 52.672 63.720 1.00 0.00 WT1 O ATOM 11999 H1 TIP3 3258 73.590 53.319 63.278 1.00 0.00 WT1 H ATOM 12000 H2 TIP3 3258 73.946 51.847 63.274 1.00 0.00 WT1 H ATOM 12001 OH2 TIP3 3259 63.105 9.725 50.235 1.00 0.00 WT1 O ATOM 12002 H1 TIP3 3259 63.942 9.782 49.772 1.00 0.00 WT1 H ATOM 12003 H2 TIP3 3259 62.449 9.688 49.539 1.00 0.00 WT1 H ATOM 12004 OH2 TIP3 3260 40.434 14.712 44.363 1.00 0.00 WT1 O ATOM 12005 H1 TIP3 3260 40.248 15.428 43.756 1.00 0.00 WT1 H ATOM 12006 H2 TIP3 3260 41.021 14.132 43.878 1.00 0.00 WT1 H ATOM 12007 OH2 TIP3 3262 68.226 92.076 4.147 1.00 0.00 WT1 O ATOM 12008 H1 TIP3 3262 67.366 91.664 4.231 1.00 0.00 WT1 H ATOM 12009 H2 TIP3 3262 68.090 92.787 3.521 1.00 0.00 WT1 H ATOM 12010 OH2 TIP3 3263 42.742 75.288 53.174 1.00 0.00 WT1 O ATOM 12011 H1 TIP3 3263 43.518 75.658 52.752 1.00 0.00 WT1 H ATOM 12012 H2 TIP3 3263 42.308 74.790 52.482 1.00 0.00 WT1 H ATOM 12013 OH2 TIP3 3264 31.510 67.135 16.287 1.00 0.00 WT1 O ATOM 12014 H1 TIP3 3264 31.430 66.890 15.365 1.00 0.00 WT1 H ATOM 12015 H2 TIP3 3264 32.420 66.937 16.509 1.00 0.00 WT1 H ATOM 12016 OH2 TIP3 3265 54.239 66.623 13.665 1.00 0.00 WT1 O ATOM 12017 H1 TIP3 3265 54.716 66.603 12.835 1.00 0.00 WT1 H ATOM 12018 H2 TIP3 3265 53.659 67.380 13.590 1.00 0.00 WT1 H ATOM 12019 OH2 TIP3 3266 85.774 4.168 3.929 1.00 0.00 WT1 O ATOM 12020 H1 TIP3 3266 85.993 5.096 4.004 1.00 0.00 WT1 H ATOM 12021 H2 TIP3 3266 85.646 4.026 2.991 1.00 0.00 WT1 H ATOM 12022 OH2 TIP3 3268 62.940 95.977 7.457 1.00 0.00 WT1 O ATOM 12023 H1 TIP3 3268 62.530 95.117 7.358 1.00 0.00 WT1 H ATOM 12024 H2 TIP3 3268 63.552 95.868 8.185 1.00 0.00 WT1 H ATOM 12025 OH2 TIP3 3269 28.400 91.628 39.115 1.00 0.00 WT1 O ATOM 12026 H1 TIP3 3269 28.724 92.500 38.890 1.00 0.00 WT1 H ATOM 12027 H2 TIP3 3269 28.603 91.529 40.045 1.00 0.00 WT1 H ATOM 12028 OH2 TIP3 3270 40.394 31.800 38.709 1.00 0.00 WT1 O ATOM 12029 H1 TIP3 3270 40.129 31.733 37.791 1.00 0.00 WT1 H ATOM 12030 H2 TIP3 3270 40.550 32.734 38.846 1.00 0.00 WT1 H ATOM 12031 OH2 TIP3 3271 58.473 83.015 3.432 1.00 0.00 WT1 O ATOM 12032 H1 TIP3 3271 57.836 82.447 2.997 1.00 0.00 WT1 H ATOM 12033 H2 TIP3 3271 58.214 83.902 3.182 1.00 0.00 WT1 H ATOM 12034 OH2 TIP3 3274 82.505 20.000 -13.676 1.00 0.00 WT1 O ATOM 12035 H1 TIP3 3274 82.946 19.887 -12.835 1.00 0.00 WT1 H ATOM 12036 H2 TIP3 3274 81.712 19.468 -13.606 1.00 0.00 WT1 H ATOM 12037 OH2 TIP3 3276 72.779 51.726 -14.473 1.00 0.00 WT1 O ATOM 12038 H1 TIP3 3276 71.955 51.547 -14.020 1.00 0.00 WT1 H ATOM 12039 H2 TIP3 3276 73.252 50.894 -14.447 1.00 0.00 WT1 H ATOM 12040 OH2 TIP3 3277 50.947 58.526 65.031 1.00 0.00 WT1 O ATOM 12041 H1 TIP3 3277 50.550 57.730 65.382 1.00 0.00 WT1 H ATOM 12042 H2 TIP3 3277 50.919 58.410 64.081 1.00 0.00 WT1 H ATOM 12043 OH2 TIP3 3278 24.126 85.459 27.445 1.00 0.00 WT1 O ATOM 12044 H1 TIP3 3278 25.065 85.639 27.402 1.00 0.00 WT1 H ATOM 12045 H2 TIP3 3278 23.989 85.103 28.323 1.00 0.00 WT1 H ATOM 12046 OH2 TIP3 3279 47.435 27.455 46.481 1.00 0.00 WT1 O ATOM 12047 H1 TIP3 3279 47.480 26.567 46.125 1.00 0.00 WT1 H ATOM 12048 H2 TIP3 3279 48.282 27.844 46.262 1.00 0.00 WT1 H ATOM 12049 OH2 TIP3 3280 58.477 0.465 9.362 1.00 0.00 WT1 O ATOM 12050 H1 TIP3 3280 58.777 -0.090 10.082 1.00 0.00 WT1 H ATOM 12051 H2 TIP3 3280 59.051 0.239 8.630 1.00 0.00 WT1 H ATOM 12052 OH2 TIP3 3281 82.413 90.305 45.393 1.00 0.00 WT1 O ATOM 12053 H1 TIP3 3281 81.718 90.832 44.999 1.00 0.00 WT1 H ATOM 12054 H2 TIP3 3281 83.003 90.103 44.666 1.00 0.00 WT1 H ATOM 12055 OH2 TIP3 3282 23.107 3.060 42.392 1.00 0.00 WT1 O ATOM 12056 H1 TIP3 3282 23.295 3.875 41.925 1.00 0.00 WT1 H ATOM 12057 H2 TIP3 3282 23.847 2.950 42.989 1.00 0.00 WT1 H ATOM 12058 OH2 TIP3 3283 62.477 43.163 12.231 1.00 0.00 WT1 O ATOM 12059 H1 TIP3 3283 61.662 43.655 12.131 1.00 0.00 WT1 H ATOM 12060 H2 TIP3 3283 62.602 43.096 13.178 1.00 0.00 WT1 H ATOM 12061 OH2 TIP3 3284 38.752 16.681 13.277 1.00 0.00 WT1 O ATOM 12062 H1 TIP3 3284 38.837 16.531 12.336 1.00 0.00 WT1 H ATOM 12063 H2 TIP3 3284 39.644 16.859 13.574 1.00 0.00 WT1 H ATOM 12064 OH2 TIP3 3285 32.882 41.961 40.271 1.00 0.00 WT1 O ATOM 12065 H1 TIP3 3285 33.109 42.185 39.369 1.00 0.00 WT1 H ATOM 12066 H2 TIP3 3285 33.591 41.387 40.562 1.00 0.00 WT1 H ATOM 12067 OH2 TIP3 3287 42.299 40.666 49.002 1.00 0.00 WT1 O ATOM 12068 H1 TIP3 3287 43.176 40.771 49.369 1.00 0.00 WT1 H ATOM 12069 H2 TIP3 3287 42.156 41.462 48.489 1.00 0.00 WT1 H ATOM 12070 OH2 TIP3 3289 57.864 65.063 38.354 1.00 0.00 WT1 O ATOM 12071 H1 TIP3 3289 58.305 65.573 37.675 1.00 0.00 WT1 H ATOM 12072 H2 TIP3 3289 57.788 64.184 37.983 1.00 0.00 WT1 H ATOM 12073 OH2 TIP3 3292 86.480 27.833 57.498 1.00 0.00 WT1 O ATOM 12074 H1 TIP3 3292 86.169 28.737 57.550 1.00 0.00 WT1 H ATOM 12075 H2 TIP3 3292 86.931 27.782 56.656 1.00 0.00 WT1 H ATOM 12076 OH2 TIP3 3294 90.352 39.304 10.510 1.00 0.00 WT1 O ATOM 12077 H1 TIP3 3294 90.120 40.060 11.050 1.00 0.00 WT1 H ATOM 12078 H2 TIP3 3294 89.925 39.470 9.669 1.00 0.00 WT1 H ATOM 12079 OH2 TIP3 3295 46.056 85.907 28.126 1.00 0.00 WT1 O ATOM 12080 H1 TIP3 3295 45.512 86.416 27.525 1.00 0.00 WT1 H ATOM 12081 H2 TIP3 3295 46.009 85.011 27.791 1.00 0.00 WT1 H ATOM 12082 OH2 TIP3 3296 57.053 12.105 -0.786 1.00 0.00 WT1 O ATOM 12083 H1 TIP3 3296 56.705 11.539 -0.097 1.00 0.00 WT1 H ATOM 12084 H2 TIP3 3296 56.716 11.728 -1.599 1.00 0.00 WT1 H ATOM 12085 OH2 TIP3 3297 89.027 84.543 -9.751 1.00 0.00 WT1 O ATOM 12086 H1 TIP3 3297 89.387 85.251 -10.285 1.00 0.00 WT1 H ATOM 12087 H2 TIP3 3297 89.383 84.696 -8.876 1.00 0.00 WT1 H ATOM 12088 OH2 TIP3 3298 39.850 56.025 55.055 1.00 0.00 WT1 O ATOM 12089 H1 TIP3 3298 40.040 56.683 55.725 1.00 0.00 WT1 H ATOM 12090 H2 TIP3 3298 39.356 55.348 55.518 1.00 0.00 WT1 H ATOM 12091 OH2 TIP3 3299 44.827 58.878 60.645 1.00 0.00 WT1 O ATOM 12092 H1 TIP3 3299 45.644 58.543 60.277 1.00 0.00 WT1 H ATOM 12093 H2 TIP3 3299 44.355 59.238 59.895 1.00 0.00 WT1 H ATOM 12094 OH2 TIP3 3300 49.566 25.630 53.362 1.00 0.00 WT1 O ATOM 12095 H1 TIP3 3300 50.153 25.837 54.089 1.00 0.00 WT1 H ATOM 12096 H2 TIP3 3300 48.955 26.366 53.329 1.00 0.00 WT1 H ATOM 12097 OH2 TIP3 3301 54.679 51.436 -8.870 1.00 0.00 WT1 O ATOM 12098 H1 TIP3 3301 54.310 52.290 -9.095 1.00 0.00 WT1 H ATOM 12099 H2 TIP3 3301 54.428 51.299 -7.957 1.00 0.00 WT1 H ATOM 12100 OH2 TIP3 3302 22.622 16.654 42.609 1.00 0.00 WT1 O ATOM 12101 H1 TIP3 3302 23.359 16.181 42.994 1.00 0.00 WT1 H ATOM 12102 H2 TIP3 3302 22.189 17.071 43.354 1.00 0.00 WT1 H ATOM 12103 OH2 TIP3 3303 90.351 66.108 -1.619 1.00 0.00 WT1 O ATOM 12104 H1 TIP3 3303 89.773 65.448 -2.003 1.00 0.00 WT1 H ATOM 12105 H2 TIP3 3303 90.737 66.556 -2.371 1.00 0.00 WT1 H ATOM 12106 OH2 TIP3 3304 36.850 8.917 66.844 1.00 0.00 WT1 O ATOM 12107 H1 TIP3 3304 37.739 8.934 66.490 1.00 0.00 WT1 H ATOM 12108 H2 TIP3 3304 36.662 7.988 66.976 1.00 0.00 WT1 H ATOM 12109 OH2 TIP3 3305 81.214 19.759 49.049 1.00 0.00 WT1 O ATOM 12110 H1 TIP3 3305 80.520 20.155 48.523 1.00 0.00 WT1 H ATOM 12111 H2 TIP3 3305 81.765 19.300 48.415 1.00 0.00 WT1 H ATOM 12112 OH2 TIP3 3308 74.573 49.326 -11.231 1.00 0.00 WT1 O ATOM 12113 H1 TIP3 3308 75.137 49.489 -10.474 1.00 0.00 WT1 H ATOM 12114 H2 TIP3 3308 73.707 49.625 -10.954 1.00 0.00 WT1 H ATOM 12115 OH2 TIP3 3309 61.559 9.034 24.767 1.00 0.00 WT1 O ATOM 12116 H1 TIP3 3309 61.965 9.343 25.576 1.00 0.00 WT1 H ATOM 12117 H2 TIP3 3309 62.287 8.691 24.249 1.00 0.00 WT1 H ATOM 12118 OH2 TIP3 3310 83.327 16.940 -15.353 1.00 0.00 WT1 O ATOM 12119 H1 TIP3 3310 82.733 17.495 -14.847 1.00 0.00 WT1 H ATOM 12120 H2 TIP3 3310 84.168 17.397 -15.321 1.00 0.00 WT1 H ATOM 12121 OH2 TIP3 3313 48.293 41.161 40.342 1.00 0.00 WT1 O ATOM 12122 H1 TIP3 3313 47.410 41.141 40.712 1.00 0.00 WT1 H ATOM 12123 H2 TIP3 3313 48.214 40.703 39.506 1.00 0.00 WT1 H ATOM 12124 OH2 TIP3 3316 21.746 16.353 -10.424 1.00 0.00 WT1 O ATOM 12125 H1 TIP3 3316 21.848 17.266 -10.692 1.00 0.00 WT1 H ATOM 12126 H2 TIP3 3316 21.227 16.394 -9.622 1.00 0.00 WT1 H ATOM 12127 OH2 TIP3 3317 28.303 13.432 64.487 1.00 0.00 WT1 O ATOM 12128 H1 TIP3 3317 28.011 12.617 64.896 1.00 0.00 WT1 H ATOM 12129 H2 TIP3 3317 28.330 14.064 65.205 1.00 0.00 WT1 H ATOM 12130 OH2 TIP3 3319 52.491 33.722 2.772 1.00 0.00 WT1 O ATOM 12131 H1 TIP3 3319 52.874 34.287 3.443 1.00 0.00 WT1 H ATOM 12132 H2 TIP3 3319 51.936 33.113 3.259 1.00 0.00 WT1 H ATOM 12133 OH2 TIP3 3320 41.046 27.323 52.776 1.00 0.00 WT1 O ATOM 12134 H1 TIP3 3320 41.549 28.137 52.803 1.00 0.00 WT1 H ATOM 12135 H2 TIP3 3320 41.659 26.674 52.430 1.00 0.00 WT1 H ATOM 12136 OH2 TIP3 3321 43.250 33.166 -12.588 1.00 0.00 WT1 O ATOM 12137 H1 TIP3 3321 43.434 33.883 -11.982 1.00 0.00 WT1 H ATOM 12138 H2 TIP3 3321 42.421 32.799 -12.281 1.00 0.00 WT1 H ATOM 12139 OH2 TIP3 3322 63.316 77.669 41.915 1.00 0.00 WT1 O ATOM 12140 H1 TIP3 3322 63.525 76.952 41.316 1.00 0.00 WT1 H ATOM 12141 H2 TIP3 3322 64.055 77.697 42.523 1.00 0.00 WT1 H ATOM 12142 OH2 TIP3 3323 25.779 49.965 -10.784 1.00 0.00 WT1 O ATOM 12143 H1 TIP3 3323 24.857 50.194 -10.902 1.00 0.00 WT1 H ATOM 12144 H2 TIP3 3323 26.129 50.660 -10.226 1.00 0.00 WT1 H ATOM 12145 OH2 TIP3 3324 37.418 7.388 -17.637 1.00 0.00 WT1 O ATOM 12146 H1 TIP3 3324 37.581 8.328 -17.563 1.00 0.00 WT1 H ATOM 12147 H2 TIP3 3324 37.253 7.101 -16.738 1.00 0.00 WT1 H ATOM 12148 OH2 TIP3 3325 32.458 13.529 65.468 1.00 0.00 WT1 O ATOM 12149 H1 TIP3 3325 31.778 13.535 64.794 1.00 0.00 WT1 H ATOM 12150 H2 TIP3 3325 32.970 14.320 65.298 1.00 0.00 WT1 H ATOM 12151 OH2 TIP3 3326 51.547 35.314 6.472 1.00 0.00 WT1 O ATOM 12152 H1 TIP3 3326 52.386 35.233 6.019 1.00 0.00 WT1 H ATOM 12153 H2 TIP3 3326 51.690 36.002 7.122 1.00 0.00 WT1 H ATOM 12154 OH2 TIP3 3327 60.666 16.587 -7.993 1.00 0.00 WT1 O ATOM 12155 H1 TIP3 3327 59.948 16.368 -7.399 1.00 0.00 WT1 H ATOM 12156 H2 TIP3 3327 60.628 15.916 -8.674 1.00 0.00 WT1 H ATOM 12157 OH2 TIP3 3329 52.865 38.132 4.779 1.00 0.00 WT1 O ATOM 12158 H1 TIP3 3329 53.803 38.073 4.961 1.00 0.00 WT1 H ATOM 12159 H2 TIP3 3329 52.450 38.086 5.641 1.00 0.00 WT1 H ATOM 12160 OH2 TIP3 3332 64.754 89.065 -7.274 1.00 0.00 WT1 O ATOM 12161 H1 TIP3 3332 65.320 89.651 -7.776 1.00 0.00 WT1 H ATOM 12162 H2 TIP3 3332 64.548 89.554 -6.478 1.00 0.00 WT1 H ATOM 12163 OH2 TIP3 3334 51.853 39.367 23.918 1.00 0.00 WT1 O ATOM 12164 H1 TIP3 3334 51.588 40.053 24.531 1.00 0.00 WT1 H ATOM 12165 H2 TIP3 3334 52.774 39.551 23.735 1.00 0.00 WT1 H ATOM 12166 OH2 TIP3 3336 64.009 2.275 34.121 1.00 0.00 WT1 O ATOM 12167 H1 TIP3 3336 64.293 3.111 34.490 1.00 0.00 WT1 H ATOM 12168 H2 TIP3 3336 63.053 2.327 34.115 1.00 0.00 WT1 H ATOM 12169 OH2 TIP3 3337 85.363 56.322 7.625 1.00 0.00 WT1 O ATOM 12170 H1 TIP3 3337 85.635 56.514 8.523 1.00 0.00 WT1 H ATOM 12171 H2 TIP3 3337 86.117 56.567 7.088 1.00 0.00 WT1 H ATOM 12172 OH2 TIP3 3338 47.649 50.871 -0.684 1.00 0.00 WT1 O ATOM 12173 H1 TIP3 3338 47.965 50.901 0.219 1.00 0.00 WT1 H ATOM 12174 H2 TIP3 3338 46.837 51.378 -0.671 1.00 0.00 WT1 H ATOM 12175 OH2 TIP3 3339 69.989 50.377 19.554 1.00 0.00 WT1 O ATOM 12176 H1 TIP3 3339 69.244 50.880 19.884 1.00 0.00 WT1 H ATOM 12177 H2 TIP3 3339 70.516 50.191 20.332 1.00 0.00 WT1 H ATOM 12178 OH2 TIP3 3341 33.461 31.120 49.283 1.00 0.00 WT1 O ATOM 12179 H1 TIP3 3341 33.444 30.174 49.426 1.00 0.00 WT1 H ATOM 12180 H2 TIP3 3341 32.897 31.477 49.970 1.00 0.00 WT1 H ATOM 12181 OH2 TIP3 3342 86.593 31.095 32.981 1.00 0.00 WT1 O ATOM 12182 H1 TIP3 3342 87.073 31.359 32.196 1.00 0.00 WT1 H ATOM 12183 H2 TIP3 3342 86.989 31.606 33.687 1.00 0.00 WT1 H ATOM 12184 OH2 TIP3 3343 81.652 59.686 29.310 1.00 0.00 WT1 O ATOM 12185 H1 TIP3 3343 81.201 60.289 28.718 1.00 0.00 WT1 H ATOM 12186 H2 TIP3 3343 81.005 59.484 29.985 1.00 0.00 WT1 H ATOM 12187 OH2 TIP3 3344 85.196 9.621 -15.501 1.00 0.00 WT1 O ATOM 12188 H1 TIP3 3344 85.507 9.941 -14.654 1.00 0.00 WT1 H ATOM 12189 H2 TIP3 3344 85.331 10.356 -16.099 1.00 0.00 WT1 H ATOM 12190 OH2 TIP3 3345 44.743 87.879 -10.343 1.00 0.00 WT1 O ATOM 12191 H1 TIP3 3345 43.879 88.091 -10.696 1.00 0.00 WT1 H ATOM 12192 H2 TIP3 3345 44.700 88.149 -9.426 1.00 0.00 WT1 H ATOM 12193 OH2 TIP3 3347 80.278 19.307 -10.060 1.00 0.00 WT1 O ATOM 12194 H1 TIP3 3347 79.910 19.346 -9.177 1.00 0.00 WT1 H ATOM 12195 H2 TIP3 3347 80.967 19.972 -10.063 1.00 0.00 WT1 H ATOM 12196 OH2 TIP3 3348 77.233 83.223 13.753 1.00 0.00 WT1 O ATOM 12197 H1 TIP3 3348 77.819 83.012 13.026 1.00 0.00 WT1 H ATOM 12198 H2 TIP3 3348 77.301 84.173 13.848 1.00 0.00 WT1 H ATOM 12199 OH2 TIP3 3349 31.661 7.971 17.327 1.00 0.00 WT1 O ATOM 12200 H1 TIP3 3349 31.324 7.968 18.223 1.00 0.00 WT1 H ATOM 12201 H2 TIP3 3349 32.372 8.611 17.340 1.00 0.00 WT1 H ATOM 12202 OH2 TIP3 3350 21.284 39.533 59.075 1.00 0.00 WT1 O ATOM 12203 H1 TIP3 3350 21.871 39.296 58.357 1.00 0.00 WT1 H ATOM 12204 H2 TIP3 3350 21.790 39.355 59.867 1.00 0.00 WT1 H ATOM 12205 OH2 TIP3 3355 53.117 26.034 6.461 1.00 0.00 WT1 O ATOM 12206 H1 TIP3 3355 53.556 26.857 6.244 1.00 0.00 WT1 H ATOM 12207 H2 TIP3 3355 53.566 25.724 7.248 1.00 0.00 WT1 H ATOM 12208 OH2 TIP3 3356 51.714 29.138 16.644 1.00 0.00 WT1 O ATOM 12209 H1 TIP3 3356 52.264 29.865 16.936 1.00 0.00 WT1 H ATOM 12210 H2 TIP3 3356 50.818 29.441 16.790 1.00 0.00 WT1 H ATOM 12211 OH2 TIP3 3358 39.476 48.409 33.211 1.00 0.00 WT1 O ATOM 12212 H1 TIP3 3358 40.429 48.479 33.266 1.00 0.00 WT1 H ATOM 12213 H2 TIP3 3358 39.219 49.105 32.605 1.00 0.00 WT1 H ATOM 12214 OH2 TIP3 3359 68.514 44.879 45.743 1.00 0.00 WT1 O ATOM 12215 H1 TIP3 3359 69.286 44.689 45.209 1.00 0.00 WT1 H ATOM 12216 H2 TIP3 3359 68.044 45.554 45.253 1.00 0.00 WT1 H ATOM 12217 OH2 TIP3 3360 70.398 4.330 2.669 1.00 0.00 WT1 O ATOM 12218 H1 TIP3 3360 70.767 5.193 2.482 1.00 0.00 WT1 H ATOM 12219 H2 TIP3 3360 69.538 4.339 2.248 1.00 0.00 WT1 H ATOM 12220 OH2 TIP3 3361 34.368 17.637 -5.783 1.00 0.00 WT1 O ATOM 12221 H1 TIP3 3361 34.186 17.640 -6.722 1.00 0.00 WT1 H ATOM 12222 H2 TIP3 3361 33.768 16.983 -5.424 1.00 0.00 WT1 H ATOM 12223 OH2 TIP3 3362 40.105 49.885 55.928 1.00 0.00 WT1 O ATOM 12224 H1 TIP3 3362 40.945 50.014 56.368 1.00 0.00 WT1 H ATOM 12225 H2 TIP3 3362 40.330 49.457 55.101 1.00 0.00 WT1 H ATOM 12226 OH2 TIP3 3363 50.761 49.004 34.791 1.00 0.00 WT1 O ATOM 12227 H1 TIP3 3363 50.478 49.912 34.680 1.00 0.00 WT1 H ATOM 12228 H2 TIP3 3363 51.620 49.070 35.208 1.00 0.00 WT1 H ATOM 12229 OH2 TIP3 3364 38.590 41.275 54.552 1.00 0.00 WT1 O ATOM 12230 H1 TIP3 3364 39.213 41.760 54.010 1.00 0.00 WT1 H ATOM 12231 H2 TIP3 3364 38.981 41.274 55.425 1.00 0.00 WT1 H ATOM 12232 OH2 TIP3 3365 84.707 44.669 37.668 1.00 0.00 WT1 O ATOM 12233 H1 TIP3 3365 83.977 44.807 38.271 1.00 0.00 WT1 H ATOM 12234 H2 TIP3 3365 84.366 44.058 37.015 1.00 0.00 WT1 H ATOM 12235 OH2 TIP3 3366 64.110 69.029 33.855 1.00 0.00 WT1 O ATOM 12236 H1 TIP3 3366 63.378 69.411 33.371 1.00 0.00 WT1 H ATOM 12237 H2 TIP3 3366 63.892 68.100 33.927 1.00 0.00 WT1 H ATOM 12238 OH2 TIP3 3367 67.444 79.208 -11.090 1.00 0.00 WT1 O ATOM 12239 H1 TIP3 3367 66.916 78.699 -11.705 1.00 0.00 WT1 H ATOM 12240 H2 TIP3 3367 68.281 79.333 -11.538 1.00 0.00 WT1 H ATOM 12241 OH2 TIP3 3368 26.933 41.673 62.312 1.00 0.00 WT1 O ATOM 12242 H1 TIP3 3368 27.455 42.413 62.003 1.00 0.00 WT1 H ATOM 12243 H2 TIP3 3368 27.468 41.270 62.996 1.00 0.00 WT1 H ATOM 12244 OH2 TIP3 3370 86.991 95.980 31.103 1.00 0.00 WT1 O ATOM 12245 H1 TIP3 3370 86.225 95.678 30.616 1.00 0.00 WT1 H ATOM 12246 H2 TIP3 3370 87.663 96.114 30.434 1.00 0.00 WT1 H ATOM 12247 OH2 TIP3 3371 43.558 38.536 4.477 1.00 0.00 WT1 O ATOM 12248 H1 TIP3 3371 43.223 37.944 5.150 1.00 0.00 WT1 H ATOM 12249 H2 TIP3 3371 43.568 39.396 4.896 1.00 0.00 WT1 H ATOM 12250 OH2 TIP3 3373 35.104 92.930 -1.555 1.00 0.00 WT1 O ATOM 12251 H1 TIP3 3373 35.716 93.625 -1.798 1.00 0.00 WT1 H ATOM 12252 H2 TIP3 3373 34.378 93.387 -1.129 1.00 0.00 WT1 H ATOM 12253 OH2 TIP3 3377 85.545 64.023 59.326 1.00 0.00 WT1 O ATOM 12254 H1 TIP3 3377 85.640 64.586 58.557 1.00 0.00 WT1 H ATOM 12255 H2 TIP3 3377 85.462 63.139 58.967 1.00 0.00 WT1 H ATOM 12256 OH2 TIP3 3379 90.123 11.423 -9.627 1.00 0.00 WT1 O ATOM 12257 H1 TIP3 3379 89.463 12.024 -9.281 1.00 0.00 WT1 H ATOM 12258 H2 TIP3 3379 90.418 11.833 -10.440 1.00 0.00 WT1 H ATOM 12259 OH2 TIP3 3380 56.468 40.991 35.493 1.00 0.00 WT1 O ATOM 12260 H1 TIP3 3380 56.221 41.885 35.730 1.00 0.00 WT1 H ATOM 12261 H2 TIP3 3380 55.666 40.482 35.610 1.00 0.00 WT1 H ATOM 12262 OH2 TIP3 3381 25.104 32.852 46.606 1.00 0.00 WT1 O ATOM 12263 H1 TIP3 3381 25.025 33.534 45.938 1.00 0.00 WT1 H ATOM 12264 H2 TIP3 3381 25.998 32.524 46.510 1.00 0.00 WT1 H ATOM 12265 OH2 TIP3 3382 55.553 40.811 59.955 1.00 0.00 WT1 O ATOM 12266 H1 TIP3 3382 55.055 41.462 60.450 1.00 0.00 WT1 H ATOM 12267 H2 TIP3 3382 55.459 41.081 59.042 1.00 0.00 WT1 H ATOM 12268 OH2 TIP3 3383 35.489 11.416 63.065 1.00 0.00 WT1 O ATOM 12269 H1 TIP3 3383 34.726 11.073 63.530 1.00 0.00 WT1 H ATOM 12270 H2 TIP3 3383 36.168 10.755 63.197 1.00 0.00 WT1 H ATOM 12271 OH2 TIP3 3384 84.726 90.954 38.647 1.00 0.00 WT1 O ATOM 12272 H1 TIP3 3384 84.880 91.642 38.000 1.00 0.00 WT1 H ATOM 12273 H2 TIP3 3384 84.047 91.310 39.219 1.00 0.00 WT1 H ATOM 12274 OH2 TIP3 3385 74.187 30.508 38.814 1.00 0.00 WT1 O ATOM 12275 H1 TIP3 3385 73.320 30.911 38.862 1.00 0.00 WT1 H ATOM 12276 H2 TIP3 3385 74.756 31.103 39.303 1.00 0.00 WT1 H ATOM 12277 OH2 TIP3 3386 45.825 72.000 5.841 1.00 0.00 WT1 O ATOM 12278 H1 TIP3 3386 46.522 71.779 5.223 1.00 0.00 WT1 H ATOM 12279 H2 TIP3 3386 46.084 71.571 6.657 1.00 0.00 WT1 H ATOM 12280 OH2 TIP3 3387 72.981 56.012 -6.005 1.00 0.00 WT1 O ATOM 12281 H1 TIP3 3387 73.340 55.132 -6.123 1.00 0.00 WT1 H ATOM 12282 H2 TIP3 3387 73.523 56.403 -5.320 1.00 0.00 WT1 H ATOM 12283 OH2 TIP3 3388 76.781 64.629 35.622 1.00 0.00 WT1 O ATOM 12284 H1 TIP3 3388 76.354 65.401 35.251 1.00 0.00 WT1 H ATOM 12285 H2 TIP3 3388 76.375 63.889 35.170 1.00 0.00 WT1 H ATOM 12286 OH2 TIP3 3389 43.972 34.500 49.777 1.00 0.00 WT1 O ATOM 12287 H1 TIP3 3389 43.244 34.901 50.251 1.00 0.00 WT1 H ATOM 12288 H2 TIP3 3389 44.596 34.252 50.459 1.00 0.00 WT1 H ATOM 12289 OH2 TIP3 3390 68.309 17.739 36.099 1.00 0.00 WT1 O ATOM 12290 H1 TIP3 3390 68.243 18.271 36.892 1.00 0.00 WT1 H ATOM 12291 H2 TIP3 3390 67.769 18.199 35.456 1.00 0.00 WT1 H ATOM 12292 OH2 TIP3 3393 43.890 91.812 1.645 1.00 0.00 WT1 O ATOM 12293 H1 TIP3 3393 44.824 91.647 1.775 1.00 0.00 WT1 H ATOM 12294 H2 TIP3 3393 43.456 91.062 2.052 1.00 0.00 WT1 H ATOM 12295 OH2 TIP3 3398 30.162 54.283 50.568 1.00 0.00 WT1 O ATOM 12296 H1 TIP3 3398 29.951 53.702 49.837 1.00 0.00 WT1 H ATOM 12297 H2 TIP3 3398 29.312 54.584 50.889 1.00 0.00 WT1 H ATOM 12298 OH2 TIP3 3401 41.213 36.560 37.253 1.00 0.00 WT1 O ATOM 12299 H1 TIP3 3401 40.656 37.230 36.857 1.00 0.00 WT1 H ATOM 12300 H2 TIP3 3401 41.811 37.048 37.820 1.00 0.00 WT1 H ATOM 12301 OH2 TIP3 3402 75.123 15.335 55.569 1.00 0.00 WT1 O ATOM 12302 H1 TIP3 3402 74.480 14.720 55.920 1.00 0.00 WT1 H ATOM 12303 H2 TIP3 3402 74.602 15.993 55.109 1.00 0.00 WT1 H ATOM 12304 OH2 TIP3 3404 49.046 68.895 1.811 1.00 0.00 WT1 O ATOM 12305 H1 TIP3 3404 49.100 68.072 2.298 1.00 0.00 WT1 H ATOM 12306 H2 TIP3 3404 49.564 69.513 2.327 1.00 0.00 WT1 H ATOM 12307 OH2 TIP3 3405 65.675 22.424 49.023 1.00 0.00 WT1 O ATOM 12308 H1 TIP3 3405 64.930 21.953 48.651 1.00 0.00 WT1 H ATOM 12309 H2 TIP3 3405 65.979 22.991 48.313 1.00 0.00 WT1 H ATOM 12310 OH2 TIP3 3406 47.289 16.317 58.824 1.00 0.00 WT1 O ATOM 12311 H1 TIP3 3406 47.519 15.994 57.953 1.00 0.00 WT1 H ATOM 12312 H2 TIP3 3406 46.353 16.511 58.769 1.00 0.00 WT1 H ATOM 12313 OH2 TIP3 3407 84.785 86.736 -10.155 1.00 0.00 WT1 O ATOM 12314 H1 TIP3 3407 85.700 86.802 -9.883 1.00 0.00 WT1 H ATOM 12315 H2 TIP3 3407 84.371 86.200 -9.478 1.00 0.00 WT1 H ATOM 12316 OH2 TIP3 3408 65.242 24.641 14.814 1.00 0.00 WT1 O ATOM 12317 H1 TIP3 3408 65.053 24.996 15.683 1.00 0.00 WT1 H ATOM 12318 H2 TIP3 3408 65.431 23.716 14.969 1.00 0.00 WT1 H ATOM 12319 OH2 TIP3 3409 43.745 1.159 -2.029 1.00 0.00 WT1 O ATOM 12320 H1 TIP3 3409 43.902 0.215 -2.036 1.00 0.00 WT1 H ATOM 12321 H2 TIP3 3409 44.368 1.501 -1.388 1.00 0.00 WT1 H ATOM 12322 OH2 TIP3 3410 39.705 69.814 34.018 1.00 0.00 WT1 O ATOM 12323 H1 TIP3 3410 39.675 70.518 34.666 1.00 0.00 WT1 H ATOM 12324 H2 TIP3 3410 40.581 69.877 33.636 1.00 0.00 WT1 H ATOM 12325 OH2 TIP3 3411 39.429 34.972 -18.668 1.00 0.00 WT1 O ATOM 12326 H1 TIP3 3411 39.350 34.745 -19.595 1.00 0.00 WT1 H ATOM 12327 H2 TIP3 3411 40.111 34.388 -18.336 1.00 0.00 WT1 H ATOM 12328 OH2 TIP3 3412 40.731 46.564 35.801 1.00 0.00 WT1 O ATOM 12329 H1 TIP3 3412 40.910 47.498 35.911 1.00 0.00 WT1 H ATOM 12330 H2 TIP3 3412 41.392 46.265 35.176 1.00 0.00 WT1 H ATOM 12331 OH2 TIP3 3420 34.936 49.262 41.936 1.00 0.00 WT1 O ATOM 12332 H1 TIP3 3420 34.458 50.060 42.161 1.00 0.00 WT1 H ATOM 12333 H2 TIP3 3420 35.253 48.928 42.775 1.00 0.00 WT1 H ATOM 12334 OH2 TIP3 3421 51.553 52.562 24.561 1.00 0.00 WT1 O ATOM 12335 H1 TIP3 3421 52.137 53.314 24.467 1.00 0.00 WT1 H ATOM 12336 H2 TIP3 3421 51.522 52.171 23.688 1.00 0.00 WT1 H ATOM 12337 OH2 TIP3 3422 33.923 21.200 7.762 1.00 0.00 WT1 O ATOM 12338 H1 TIP3 3422 34.236 20.411 7.320 1.00 0.00 WT1 H ATOM 12339 H2 TIP3 3422 34.452 21.254 8.558 1.00 0.00 WT1 H ATOM 12340 OH2 TIP3 3423 39.703 1.011 37.953 1.00 0.00 WT1 O ATOM 12341 H1 TIP3 3423 39.885 0.427 37.216 1.00 0.00 WT1 H ATOM 12342 H2 TIP3 3423 40.000 0.526 38.722 1.00 0.00 WT1 H ATOM 12343 OH2 TIP3 3424 23.916 66.483 52.843 1.00 0.00 WT1 O ATOM 12344 H1 TIP3 3424 24.004 67.071 53.593 1.00 0.00 WT1 H ATOM 12345 H2 TIP3 3424 24.808 66.387 52.508 1.00 0.00 WT1 H ATOM 12346 OH2 TIP3 3425 22.337 56.538 32.834 1.00 0.00 WT1 O ATOM 12347 H1 TIP3 3425 21.564 56.659 32.283 1.00 0.00 WT1 H ATOM 12348 H2 TIP3 3425 23.034 56.305 32.221 1.00 0.00 WT1 H ATOM 12349 OH2 TIP3 3426 38.233 72.262 8.730 1.00 0.00 WT1 O ATOM 12350 H1 TIP3 3426 38.969 72.800 9.021 1.00 0.00 WT1 H ATOM 12351 H2 TIP3 3426 38.639 71.481 8.355 1.00 0.00 WT1 H ATOM 12352 OH2 TIP3 3427 89.569 0.560 -5.675 1.00 0.00 WT1 O ATOM 12353 H1 TIP3 3427 88.639 0.740 -5.809 1.00 0.00 WT1 H ATOM 12354 H2 TIP3 3427 90.019 1.269 -6.134 1.00 0.00 WT1 H ATOM 12355 OH2 TIP3 3428 66.519 5.471 63.988 1.00 0.00 WT1 O ATOM 12356 H1 TIP3 3428 67.105 5.346 64.734 1.00 0.00 WT1 H ATOM 12357 H2 TIP3 3428 66.042 4.644 63.916 1.00 0.00 WT1 H ATOM 12358 OH2 TIP3 3429 57.326 36.156 39.244 1.00 0.00 WT1 O ATOM 12359 H1 TIP3 3429 57.756 35.663 39.943 1.00 0.00 WT1 H ATOM 12360 H2 TIP3 3429 57.331 37.062 39.552 1.00 0.00 WT1 H ATOM 12361 OH2 TIP3 3430 87.639 82.375 14.989 1.00 0.00 WT1 O ATOM 12362 H1 TIP3 3430 87.529 81.427 15.071 1.00 0.00 WT1 H ATOM 12363 H2 TIP3 3430 87.198 82.598 14.170 1.00 0.00 WT1 H ATOM 12364 OH2 TIP3 3431 27.735 40.180 29.690 1.00 0.00 WT1 O ATOM 12365 H1 TIP3 3431 26.990 40.111 29.093 1.00 0.00 WT1 H ATOM 12366 H2 TIP3 3431 28.499 40.230 29.115 1.00 0.00 WT1 H ATOM 12367 OH2 TIP3 3432 64.780 50.337 -15.559 1.00 0.00 WT1 O ATOM 12368 H1 TIP3 3432 65.506 50.811 -15.152 1.00 0.00 WT1 H ATOM 12369 H2 TIP3 3432 64.185 50.143 -14.836 1.00 0.00 WT1 H ATOM 12370 OH2 TIP3 3433 61.537 62.243 35.756 1.00 0.00 WT1 O ATOM 12371 H1 TIP3 3433 61.367 62.499 34.850 1.00 0.00 WT1 H ATOM 12372 H2 TIP3 3433 60.862 61.594 35.953 1.00 0.00 WT1 H ATOM 12373 OH2 TIP3 3434 68.195 73.805 54.593 1.00 0.00 WT1 O ATOM 12374 H1 TIP3 3434 69.099 73.640 54.325 1.00 0.00 WT1 H ATOM 12375 H2 TIP3 3434 67.799 72.935 54.649 1.00 0.00 WT1 H ATOM 12376 OH2 TIP3 3436 30.457 67.523 6.063 1.00 0.00 WT1 O ATOM 12377 H1 TIP3 3436 29.568 67.171 6.016 1.00 0.00 WT1 H ATOM 12378 H2 TIP3 3436 30.590 67.716 6.991 1.00 0.00 WT1 H ATOM 12379 OH2 TIP3 3437 21.257 90.024 32.298 1.00 0.00 WT1 O ATOM 12380 H1 TIP3 3437 21.063 90.520 31.502 1.00 0.00 WT1 H ATOM 12381 H2 TIP3 3437 21.801 89.295 32.000 1.00 0.00 WT1 H ATOM 12382 OH2 TIP3 3438 47.721 20.355 -0.099 1.00 0.00 WT1 O ATOM 12383 H1 TIP3 3438 47.682 21.263 0.201 1.00 0.00 WT1 H ATOM 12384 H2 TIP3 3438 46.806 20.080 -0.150 1.00 0.00 WT1 H ATOM 12385 OH2 TIP3 3439 78.633 69.176 1.332 1.00 0.00 WT1 O ATOM 12386 H1 TIP3 3439 77.886 69.544 1.804 1.00 0.00 WT1 H ATOM 12387 H2 TIP3 3439 78.373 68.276 1.136 1.00 0.00 WT1 H ATOM 12388 OH2 TIP3 3440 66.311 34.156 31.908 1.00 0.00 WT1 O ATOM 12389 H1 TIP3 3440 65.752 34.368 31.161 1.00 0.00 WT1 H ATOM 12390 H2 TIP3 3440 65.967 34.689 32.624 1.00 0.00 WT1 H ATOM 12391 OH2 TIP3 3441 64.712 0.830 -0.687 1.00 0.00 WT1 O ATOM 12392 H1 TIP3 3441 65.107 0.875 0.184 1.00 0.00 WT1 H ATOM 12393 H2 TIP3 3441 65.389 1.166 -1.275 1.00 0.00 WT1 H ATOM 12394 OH2 TIP3 3442 23.191 5.324 56.554 1.00 0.00 WT1 O ATOM 12395 H1 TIP3 3442 22.952 5.978 55.897 1.00 0.00 WT1 H ATOM 12396 H2 TIP3 3442 23.767 5.790 57.159 1.00 0.00 WT1 H ATOM 12397 OH2 TIP3 3444 36.023 35.373 5.615 1.00 0.00 WT1 O ATOM 12398 H1 TIP3 3444 35.966 36.012 4.904 1.00 0.00 WT1 H ATOM 12399 H2 TIP3 3444 36.296 35.885 6.376 1.00 0.00 WT1 H ATOM 12400 OH2 TIP3 3445 22.416 61.772 -15.890 1.00 0.00 WT1 O ATOM 12401 H1 TIP3 3445 21.549 61.466 -15.624 1.00 0.00 WT1 H ATOM 12402 H2 TIP3 3445 22.466 61.568 -16.824 1.00 0.00 WT1 H ATOM 12403 OH2 TIP3 3446 40.359 28.146 47.739 1.00 0.00 WT1 O ATOM 12404 H1 TIP3 3446 40.364 29.017 48.135 1.00 0.00 WT1 H ATOM 12405 H2 TIP3 3446 40.168 28.303 46.815 1.00 0.00 WT1 H ATOM 12406 OH2 TIP3 3447 31.181 13.132 -11.274 1.00 0.00 WT1 O ATOM 12407 H1 TIP3 3447 30.553 12.507 -10.912 1.00 0.00 WT1 H ATOM 12408 H2 TIP3 3447 30.640 13.822 -11.657 1.00 0.00 WT1 H ATOM 12409 OH2 TIP3 3448 76.262 69.072 13.835 1.00 0.00 WT1 O ATOM 12410 H1 TIP3 3448 76.151 68.948 14.777 1.00 0.00 WT1 H ATOM 12411 H2 TIP3 3448 75.431 69.448 13.543 1.00 0.00 WT1 H ATOM 12412 OH2 TIP3 3449 36.548 77.375 18.876 1.00 0.00 WT1 O ATOM 12413 H1 TIP3 3449 35.669 77.726 19.019 1.00 0.00 WT1 H ATOM 12414 H2 TIP3 3449 36.508 76.481 19.217 1.00 0.00 WT1 H ATOM 12415 OH2 TIP3 3450 49.427 63.696 -6.288 1.00 0.00 WT1 O ATOM 12416 H1 TIP3 3450 48.906 63.618 -5.488 1.00 0.00 WT1 H ATOM 12417 H2 TIP3 3450 49.351 64.618 -6.534 1.00 0.00 WT1 H ATOM 12418 OH2 TIP3 3451 33.044 55.767 -8.119 1.00 0.00 WT1 O ATOM 12419 H1 TIP3 3451 33.356 55.300 -7.343 1.00 0.00 WT1 H ATOM 12420 H2 TIP3 3451 32.485 56.462 -7.772 1.00 0.00 WT1 H ATOM 12421 OH2 TIP3 3452 51.836 48.606 1.784 1.00 0.00 WT1 O ATOM 12422 H1 TIP3 3452 52.626 48.146 2.068 1.00 0.00 WT1 H ATOM 12423 H2 TIP3 3452 51.984 49.516 2.039 1.00 0.00 WT1 H ATOM 12424 OH2 TIP3 3456 53.088 73.708 44.564 1.00 0.00 WT1 O ATOM 12425 H1 TIP3 3456 53.369 73.342 45.402 1.00 0.00 WT1 H ATOM 12426 H2 TIP3 3456 52.176 73.429 44.474 1.00 0.00 WT1 H ATOM 12427 OH2 TIP3 3459 88.034 27.853 47.685 1.00 0.00 WT1 O ATOM 12428 H1 TIP3 3459 88.249 27.016 48.098 1.00 0.00 WT1 H ATOM 12429 H2 TIP3 3459 88.324 27.754 46.778 1.00 0.00 WT1 H ATOM 12430 OH2 TIP3 3460 62.580 67.956 24.964 1.00 0.00 WT1 O ATOM 12431 H1 TIP3 3460 62.262 67.466 24.206 1.00 0.00 WT1 H ATOM 12432 H2 TIP3 3460 61.955 67.752 25.661 1.00 0.00 WT1 H ATOM 12433 OH2 TIP3 3461 34.821 42.308 -2.335 1.00 0.00 WT1 O ATOM 12434 H1 TIP3 3461 34.005 42.640 -1.960 1.00 0.00 WT1 H ATOM 12435 H2 TIP3 3461 34.976 42.862 -3.100 1.00 0.00 WT1 H ATOM 12436 OH2 TIP3 3462 59.594 13.767 16.223 1.00 0.00 WT1 O ATOM 12437 H1 TIP3 3462 60.037 14.497 16.655 1.00 0.00 WT1 H ATOM 12438 H2 TIP3 3462 58.692 14.067 16.111 1.00 0.00 WT1 H ATOM 12439 OH2 TIP3 3465 51.147 40.529 65.670 1.00 0.00 WT1 O ATOM 12440 H1 TIP3 3465 51.802 40.328 66.337 1.00 0.00 WT1 H ATOM 12441 H2 TIP3 3465 50.320 40.568 66.150 1.00 0.00 WT1 H ATOM 12442 OH2 TIP3 3466 36.227 87.225 49.048 1.00 0.00 WT1 O ATOM 12443 H1 TIP3 3466 36.618 87.930 49.565 1.00 0.00 WT1 H ATOM 12444 H2 TIP3 3466 35.572 87.662 48.503 1.00 0.00 WT1 H ATOM 12445 OH2 TIP3 3467 44.999 18.670 -12.496 1.00 0.00 WT1 O ATOM 12446 H1 TIP3 3467 44.094 18.569 -12.202 1.00 0.00 WT1 H ATOM 12447 H2 TIP3 3467 44.972 18.467 -13.431 1.00 0.00 WT1 H ATOM 12448 OH2 TIP3 3468 87.566 79.709 -13.742 1.00 0.00 WT1 O ATOM 12449 H1 TIP3 3468 87.494 79.743 -12.788 1.00 0.00 WT1 H ATOM 12450 H2 TIP3 3468 88.304 79.122 -13.906 1.00 0.00 WT1 H ATOM 12451 OH2 TIP3 3469 54.587 61.040 -19.533 1.00 0.00 WT1 O ATOM 12452 H1 TIP3 3469 54.078 60.268 -19.285 1.00 0.00 WT1 H ATOM 12453 H2 TIP3 3469 54.396 61.165 -20.463 1.00 0.00 WT1 H ATOM 12454 OH2 TIP3 3470 43.121 44.813 55.784 1.00 0.00 WT1 O ATOM 12455 H1 TIP3 3470 43.007 45.745 55.600 1.00 0.00 WT1 H ATOM 12456 H2 TIP3 3470 42.637 44.369 55.088 1.00 0.00 WT1 H ATOM 12457 OH2 TIP3 3471 42.199 63.478 -13.450 1.00 0.00 WT1 O ATOM 12458 H1 TIP3 3471 43.021 63.925 -13.249 1.00 0.00 WT1 H ATOM 12459 H2 TIP3 3471 41.703 63.508 -12.632 1.00 0.00 WT1 H ATOM 12460 OH2 TIP3 3472 68.587 30.674 -13.470 1.00 0.00 WT1 O ATOM 12461 H1 TIP3 3472 68.938 30.071 -12.816 1.00 0.00 WT1 H ATOM 12462 H2 TIP3 3472 69.359 31.006 -13.929 1.00 0.00 WT1 H ATOM 12463 OH2 TIP3 3473 37.368 49.868 -12.036 1.00 0.00 WT1 O ATOM 12464 H1 TIP3 3473 38.274 49.711 -12.302 1.00 0.00 WT1 H ATOM 12465 H2 TIP3 3473 37.076 49.033 -11.671 1.00 0.00 WT1 H ATOM 12466 OH2 TIP3 3474 25.926 24.094 27.933 1.00 0.00 WT1 O ATOM 12467 H1 TIP3 3474 25.181 23.922 27.357 1.00 0.00 WT1 H ATOM 12468 H2 TIP3 3474 26.543 24.583 27.388 1.00 0.00 WT1 H ATOM 12469 OH2 TIP3 3475 55.242 54.396 12.515 1.00 0.00 WT1 O ATOM 12470 H1 TIP3 3475 55.619 54.950 13.198 1.00 0.00 WT1 H ATOM 12471 H2 TIP3 3475 54.298 54.534 12.588 1.00 0.00 WT1 H ATOM 12472 OH2 TIP3 3476 26.833 6.468 -13.674 1.00 0.00 WT1 O ATOM 12473 H1 TIP3 3476 27.500 6.769 -14.291 1.00 0.00 WT1 H ATOM 12474 H2 TIP3 3476 27.316 6.285 -12.869 1.00 0.00 WT1 H ATOM 12475 OH2 TIP3 3481 38.823 35.428 -0.841 1.00 0.00 WT1 O ATOM 12476 H1 TIP3 3481 38.978 35.560 0.095 1.00 0.00 WT1 H ATOM 12477 H2 TIP3 3481 39.698 35.385 -1.225 1.00 0.00 WT1 H ATOM 12478 OH2 TIP3 3482 30.835 27.004 13.315 1.00 0.00 WT1 O ATOM 12479 H1 TIP3 3482 30.232 26.821 12.594 1.00 0.00 WT1 H ATOM 12480 H2 TIP3 3482 30.854 27.959 13.374 1.00 0.00 WT1 H ATOM 12481 OH2 TIP3 3483 31.686 62.165 42.472 1.00 0.00 WT1 O ATOM 12482 H1 TIP3 3483 32.392 62.589 42.959 1.00 0.00 WT1 H ATOM 12483 H2 TIP3 3483 31.911 62.304 41.553 1.00 0.00 WT1 H ATOM 12484 OH2 TIP3 3484 67.147 73.216 21.805 1.00 0.00 WT1 O ATOM 12485 H1 TIP3 3484 67.888 72.705 21.479 1.00 0.00 WT1 H ATOM 12486 H2 TIP3 3484 66.635 72.594 22.321 1.00 0.00 WT1 H ATOM 12487 OH2 TIP3 3485 79.499 58.752 34.809 1.00 0.00 WT1 O ATOM 12488 H1 TIP3 3485 79.494 58.245 33.997 1.00 0.00 WT1 H ATOM 12489 H2 TIP3 3485 80.248 59.341 34.720 1.00 0.00 WT1 H ATOM 12490 OH2 TIP3 3486 53.894 24.383 -17.200 1.00 0.00 WT1 O ATOM 12491 H1 TIP3 3486 53.508 24.373 -18.076 1.00 0.00 WT1 H ATOM 12492 H2 TIP3 3486 54.838 24.348 -17.353 1.00 0.00 WT1 H ATOM 12493 OH2 TIP3 3487 89.996 46.178 -17.388 1.00 0.00 WT1 O ATOM 12494 H1 TIP3 3487 89.626 46.853 -16.820 1.00 0.00 WT1 H ATOM 12495 H2 TIP3 3487 89.740 46.442 -18.272 1.00 0.00 WT1 H ATOM 12496 OH2 TIP3 3488 48.207 59.752 -10.899 1.00 0.00 WT1 O ATOM 12497 H1 TIP3 3488 48.144 60.684 -10.689 1.00 0.00 WT1 H ATOM 12498 H2 TIP3 3488 47.814 59.675 -11.769 1.00 0.00 WT1 H ATOM 12499 OH2 TIP3 3489 50.049 63.222 54.134 1.00 0.00 WT1 O ATOM 12500 H1 TIP3 3489 50.707 62.670 53.712 1.00 0.00 WT1 H ATOM 12501 H2 TIP3 3489 49.269 63.127 53.586 1.00 0.00 WT1 H ATOM 12502 OH2 TIP3 3490 84.719 92.248 51.759 1.00 0.00 WT1 O ATOM 12503 H1 TIP3 3490 85.580 92.665 51.794 1.00 0.00 WT1 H ATOM 12504 H2 TIP3 3490 84.892 91.368 51.425 1.00 0.00 WT1 H ATOM 12505 OH2 TIP3 3491 24.654 49.690 5.406 1.00 0.00 WT1 O ATOM 12506 H1 TIP3 3491 24.281 50.547 5.200 1.00 0.00 WT1 H ATOM 12507 H2 TIP3 3491 24.931 49.338 4.560 1.00 0.00 WT1 H ATOM 12508 OH2 TIP3 3492 48.731 2.581 53.996 1.00 0.00 WT1 O ATOM 12509 H1 TIP3 3492 49.064 1.684 54.033 1.00 0.00 WT1 H ATOM 12510 H2 TIP3 3492 48.272 2.701 54.828 1.00 0.00 WT1 H ATOM 12511 OH2 TIP3 3494 49.330 57.113 -10.001 1.00 0.00 WT1 O ATOM 12512 H1 TIP3 3494 50.267 57.051 -10.182 1.00 0.00 WT1 H ATOM 12513 H2 TIP3 3494 49.123 58.040 -10.120 1.00 0.00 WT1 H ATOM 12514 OH2 TIP3 3495 51.161 68.318 -13.490 1.00 0.00 WT1 O ATOM 12515 H1 TIP3 3495 51.938 68.321 -12.931 1.00 0.00 WT1 H ATOM 12516 H2 TIP3 3495 50.598 67.641 -13.114 1.00 0.00 WT1 H ATOM 12517 OH2 TIP3 3496 49.537 83.678 15.065 1.00 0.00 WT1 O ATOM 12518 H1 TIP3 3496 49.821 82.838 14.704 1.00 0.00 WT1 H ATOM 12519 H2 TIP3 3496 49.843 83.666 15.971 1.00 0.00 WT1 H ATOM 12520 OH2 TIP3 3497 39.836 79.064 -0.919 1.00 0.00 WT1 O ATOM 12521 H1 TIP3 3497 40.115 79.858 -0.463 1.00 0.00 WT1 H ATOM 12522 H2 TIP3 3497 40.587 78.473 -0.853 1.00 0.00 WT1 H ATOM 12523 OH2 TIP3 3501 53.626 42.228 24.220 1.00 0.00 WT1 O ATOM 12524 H1 TIP3 3501 53.313 42.358 23.325 1.00 0.00 WT1 H ATOM 12525 H2 TIP3 3501 54.504 41.860 24.115 1.00 0.00 WT1 H ATOM 12526 OH2 TIP3 3502 78.612 70.358 27.309 1.00 0.00 WT1 O ATOM 12527 H1 TIP3 3502 78.006 70.182 28.028 1.00 0.00 WT1 H ATOM 12528 H2 TIP3 3502 78.120 70.132 26.520 1.00 0.00 WT1 H ATOM 12529 OH2 TIP3 3504 23.657 70.233 27.290 1.00 0.00 WT1 O ATOM 12530 H1 TIP3 3504 24.403 70.830 27.233 1.00 0.00 WT1 H ATOM 12531 H2 TIP3 3504 23.777 69.630 26.556 1.00 0.00 WT1 H ATOM 12532 OH2 TIP3 3506 71.854 78.007 30.768 1.00 0.00 WT1 O ATOM 12533 H1 TIP3 3506 72.304 78.018 31.613 1.00 0.00 WT1 H ATOM 12534 H2 TIP3 3506 71.119 77.407 30.896 1.00 0.00 WT1 H ATOM 12535 OH2 TIP3 3507 81.632 10.271 7.393 1.00 0.00 WT1 O ATOM 12536 H1 TIP3 3507 81.605 10.523 8.316 1.00 0.00 WT1 H ATOM 12537 H2 TIP3 3507 82.551 10.061 7.229 1.00 0.00 WT1 H ATOM 12538 OH2 TIP3 3508 30.353 40.180 -1.826 1.00 0.00 WT1 O ATOM 12539 H1 TIP3 3508 29.628 40.802 -1.754 1.00 0.00 WT1 H ATOM 12540 H2 TIP3 3508 30.884 40.340 -1.046 1.00 0.00 WT1 H ATOM 12541 OH2 TIP3 3509 50.468 59.269 55.099 1.00 0.00 WT1 O ATOM 12542 H1 TIP3 3509 49.543 59.375 55.320 1.00 0.00 WT1 H ATOM 12543 H2 TIP3 3509 50.565 59.708 54.254 1.00 0.00 WT1 H ATOM 12544 OH2 TIP3 3510 56.216 56.397 17.183 1.00 0.00 WT1 O ATOM 12545 H1 TIP3 3510 56.412 57.165 16.646 1.00 0.00 WT1 H ATOM 12546 H2 TIP3 3510 55.544 56.697 17.795 1.00 0.00 WT1 H ATOM 12547 OH2 TIP3 3511 53.074 75.920 -16.386 1.00 0.00 WT1 O ATOM 12548 H1 TIP3 3511 52.230 75.504 -16.215 1.00 0.00 WT1 H ATOM 12549 H2 TIP3 3511 53.598 75.731 -15.607 1.00 0.00 WT1 H ATOM 12550 OH2 TIP3 3512 74.898 52.481 -10.943 1.00 0.00 WT1 O ATOM 12551 H1 TIP3 3512 74.456 52.133 -10.169 1.00 0.00 WT1 H ATOM 12552 H2 TIP3 3512 74.361 53.226 -11.211 1.00 0.00 WT1 H ATOM 12553 OH2 TIP3 3513 48.435 79.571 0.682 1.00 0.00 WT1 O ATOM 12554 H1 TIP3 3513 48.655 78.639 0.675 1.00 0.00 WT1 H ATOM 12555 H2 TIP3 3513 48.428 79.809 1.609 1.00 0.00 WT1 H ATOM 12556 OH2 TIP3 3514 88.208 12.965 -8.650 1.00 0.00 WT1 O ATOM 12557 H1 TIP3 3514 88.178 13.385 -7.791 1.00 0.00 WT1 H ATOM 12558 H2 TIP3 3514 87.512 13.391 -9.150 1.00 0.00 WT1 H ATOM 12559 OH2 TIP3 3515 60.371 39.785 -7.601 1.00 0.00 WT1 O ATOM 12560 H1 TIP3 3515 61.297 39.773 -7.358 1.00 0.00 WT1 H ATOM 12561 H2 TIP3 3515 59.910 39.530 -6.801 1.00 0.00 WT1 H ATOM 12562 OH2 TIP3 3516 45.057 52.367 -0.710 1.00 0.00 WT1 O ATOM 12563 H1 TIP3 3516 45.538 52.850 -0.038 1.00 0.00 WT1 H ATOM 12564 H2 TIP3 3516 44.379 51.895 -0.227 1.00 0.00 WT1 H ATOM 12565 OH2 TIP3 3517 80.237 90.783 8.089 1.00 0.00 WT1 O ATOM 12566 H1 TIP3 3517 79.838 89.935 8.284 1.00 0.00 WT1 H ATOM 12567 H2 TIP3 3517 80.919 90.585 7.447 1.00 0.00 WT1 H ATOM 12568 OH2 TIP3 3518 31.225 48.936 17.189 1.00 0.00 WT1 O ATOM 12569 H1 TIP3 3518 31.780 48.257 16.805 1.00 0.00 WT1 H ATOM 12570 H2 TIP3 3518 31.837 49.620 17.463 1.00 0.00 WT1 H ATOM 12571 OH2 TIP3 3519 83.788 53.867 44.923 1.00 0.00 WT1 O ATOM 12572 H1 TIP3 3519 82.871 54.075 44.745 1.00 0.00 WT1 H ATOM 12573 H2 TIP3 3519 84.188 54.709 45.138 1.00 0.00 WT1 H ATOM 12574 OH2 TIP3 3520 33.093 73.033 52.293 1.00 0.00 WT1 O ATOM 12575 H1 TIP3 3520 33.842 73.627 52.346 1.00 0.00 WT1 H ATOM 12576 H2 TIP3 3520 32.464 73.490 51.735 1.00 0.00 WT1 H ATOM 12577 OH2 TIP3 3521 72.599 52.601 10.577 1.00 0.00 WT1 O ATOM 12578 H1 TIP3 3521 72.177 53.383 10.933 1.00 0.00 WT1 H ATOM 12579 H2 TIP3 3521 71.922 52.186 10.041 1.00 0.00 WT1 H ATOM 12580 OH2 TIP3 3522 50.744 86.957 30.531 1.00 0.00 WT1 O ATOM 12581 H1 TIP3 3522 49.795 87.084 30.547 1.00 0.00 WT1 H ATOM 12582 H2 TIP3 3522 50.858 86.021 30.367 1.00 0.00 WT1 H ATOM 12583 OH2 TIP3 3523 54.138 21.583 29.942 1.00 0.00 WT1 O ATOM 12584 H1 TIP3 3523 55.034 21.286 29.787 1.00 0.00 WT1 H ATOM 12585 H2 TIP3 3523 53.728 21.570 29.077 1.00 0.00 WT1 H ATOM 12586 OH2 TIP3 3524 42.939 64.988 -9.202 1.00 0.00 WT1 O ATOM 12587 H1 TIP3 3524 43.517 64.231 -9.292 1.00 0.00 WT1 H ATOM 12588 H2 TIP3 3524 42.635 64.952 -8.295 1.00 0.00 WT1 H ATOM 12589 OH2 TIP3 3526 34.012 9.304 19.730 1.00 0.00 WT1 O ATOM 12590 H1 TIP3 3526 34.465 9.735 20.455 1.00 0.00 WT1 H ATOM 12591 H2 TIP3 3526 34.667 9.251 19.035 1.00 0.00 WT1 H ATOM 12592 OH2 TIP3 3527 68.593 16.165 57.761 1.00 0.00 WT1 O ATOM 12593 H1 TIP3 3527 68.246 17.021 58.013 1.00 0.00 WT1 H ATOM 12594 H2 TIP3 3527 69.286 16.364 57.131 1.00 0.00 WT1 H ATOM 12595 OH2 TIP3 3528 81.946 59.539 21.307 1.00 0.00 WT1 O ATOM 12596 H1 TIP3 3528 81.032 59.813 21.232 1.00 0.00 WT1 H ATOM 12597 H2 TIP3 3528 82.446 60.269 20.942 1.00 0.00 WT1 H ATOM 12598 OH2 TIP3 3529 70.472 27.918 5.725 1.00 0.00 WT1 O ATOM 12599 H1 TIP3 3529 70.124 27.604 4.890 1.00 0.00 WT1 H ATOM 12600 H2 TIP3 3529 69.709 27.961 6.302 1.00 0.00 WT1 H ATOM 12601 OH2 TIP3 3530 46.405 9.599 40.399 1.00 0.00 WT1 O ATOM 12602 H1 TIP3 3530 47.357 9.507 40.441 1.00 0.00 WT1 H ATOM 12603 H2 TIP3 3530 46.156 9.146 39.593 1.00 0.00 WT1 H ATOM 12604 OH2 TIP3 3531 52.313 84.309 46.375 1.00 0.00 WT1 O ATOM 12605 H1 TIP3 3531 52.171 84.684 47.245 1.00 0.00 WT1 H ATOM 12606 H2 TIP3 3531 52.430 85.068 45.803 1.00 0.00 WT1 H ATOM 12607 OH2 TIP3 3533 60.341 0.250 53.891 1.00 0.00 WT1 O ATOM 12608 H1 TIP3 3533 59.515 0.625 54.197 1.00 0.00 WT1 H ATOM 12609 H2 TIP3 3533 60.552 -0.424 54.538 1.00 0.00 WT1 H ATOM 12610 OH2 TIP3 3534 64.544 74.535 -3.603 1.00 0.00 WT1 O ATOM 12611 H1 TIP3 3534 63.792 75.065 -3.866 1.00 0.00 WT1 H ATOM 12612 H2 TIP3 3534 64.841 74.928 -2.783 1.00 0.00 WT1 H ATOM 12613 OH2 TIP3 3535 46.893 92.457 14.190 1.00 0.00 WT1 O ATOM 12614 H1 TIP3 3535 47.582 92.916 13.710 1.00 0.00 WT1 H ATOM 12615 H2 TIP3 3535 47.340 91.717 14.602 1.00 0.00 WT1 H ATOM 12616 OH2 TIP3 3536 63.783 81.853 -15.387 1.00 0.00 WT1 O ATOM 12617 H1 TIP3 3536 63.086 81.568 -14.797 1.00 0.00 WT1 H ATOM 12618 H2 TIP3 3536 64.283 81.057 -15.571 1.00 0.00 WT1 H ATOM 12619 OH2 TIP3 3537 22.857 6.440 10.070 1.00 0.00 WT1 O ATOM 12620 H1 TIP3 3537 22.830 5.485 10.118 1.00 0.00 WT1 H ATOM 12621 H2 TIP3 3537 23.789 6.656 10.106 1.00 0.00 WT1 H ATOM 12622 OH2 TIP3 3538 22.907 76.189 4.838 1.00 0.00 WT1 O ATOM 12623 H1 TIP3 3538 23.488 76.945 4.746 1.00 0.00 WT1 H ATOM 12624 H2 TIP3 3538 22.037 76.569 4.957 1.00 0.00 WT1 H ATOM 12625 OH2 TIP3 3539 49.678 60.393 0.923 1.00 0.00 WT1 O ATOM 12626 H1 TIP3 3539 49.991 61.137 1.437 1.00 0.00 WT1 H ATOM 12627 H2 TIP3 3539 50.472 59.912 0.690 1.00 0.00 WT1 H ATOM 12628 OH2 TIP3 3543 26.630 50.266 30.115 1.00 0.00 WT1 O ATOM 12629 H1 TIP3 3543 25.708 50.074 30.285 1.00 0.00 WT1 H ATOM 12630 H2 TIP3 3543 26.940 49.522 29.600 1.00 0.00 WT1 H ATOM 12631 OH2 TIP3 3544 52.699 78.631 25.687 1.00 0.00 WT1 O ATOM 12632 H1 TIP3 3544 52.181 77.830 25.774 1.00 0.00 WT1 H ATOM 12633 H2 TIP3 3544 53.504 78.350 25.252 1.00 0.00 WT1 H ATOM 12634 OH2 TIP3 3545 68.096 62.122 64.466 1.00 0.00 WT1 O ATOM 12635 H1 TIP3 3545 67.863 61.195 64.526 1.00 0.00 WT1 H ATOM 12636 H2 TIP3 3545 67.918 62.471 65.340 1.00 0.00 WT1 H ATOM 12637 OH2 TIP3 3546 48.088 93.256 60.252 1.00 0.00 WT1 O ATOM 12638 H1 TIP3 3546 47.600 94.063 60.087 1.00 0.00 WT1 H ATOM 12639 H2 TIP3 3546 47.961 92.733 59.461 1.00 0.00 WT1 H ATOM 12640 OH2 TIP3 3548 23.867 27.400 50.923 1.00 0.00 WT1 O ATOM 12641 H1 TIP3 3548 23.482 27.127 51.756 1.00 0.00 WT1 H ATOM 12642 H2 TIP3 3548 23.271 28.072 50.593 1.00 0.00 WT1 H ATOM 12643 OH2 TIP3 3549 29.033 17.087 42.598 1.00 0.00 WT1 O ATOM 12644 H1 TIP3 3549 29.859 17.420 42.948 1.00 0.00 WT1 H ATOM 12645 H2 TIP3 3549 28.941 16.217 42.986 1.00 0.00 WT1 H ATOM 12646 OH2 TIP3 3550 42.805 42.583 42.886 1.00 0.00 WT1 O ATOM 12647 H1 TIP3 3550 43.174 43.441 42.677 1.00 0.00 WT1 H ATOM 12648 H2 TIP3 3550 42.326 42.329 42.097 1.00 0.00 WT1 H ATOM 12649 OH2 TIP3 3551 21.799 91.707 57.830 1.00 0.00 WT1 O ATOM 12650 H1 TIP3 3551 21.166 91.397 58.478 1.00 0.00 WT1 H ATOM 12651 H2 TIP3 3551 21.979 92.612 58.084 1.00 0.00 WT1 H ATOM 12652 OH2 TIP3 3552 33.605 76.473 0.674 1.00 0.00 WT1 O ATOM 12653 H1 TIP3 3552 33.255 76.676 -0.193 1.00 0.00 WT1 H ATOM 12654 H2 TIP3 3552 34.463 76.084 0.502 1.00 0.00 WT1 H ATOM 12655 OH2 TIP3 3554 56.851 23.972 3.565 1.00 0.00 WT1 O ATOM 12656 H1 TIP3 3554 56.487 24.856 3.527 1.00 0.00 WT1 H ATOM 12657 H2 TIP3 3554 57.544 24.025 4.223 1.00 0.00 WT1 H ATOM 12658 OH2 TIP3 3555 45.808 74.367 -14.809 1.00 0.00 WT1 O ATOM 12659 H1 TIP3 3555 46.505 74.567 -15.433 1.00 0.00 WT1 H ATOM 12660 H2 TIP3 3555 46.263 74.000 -14.051 1.00 0.00 WT1 H ATOM 12661 OH2 TIP3 3556 67.699 74.804 1.153 1.00 0.00 WT1 O ATOM 12662 H1 TIP3 3556 68.450 74.232 0.995 1.00 0.00 WT1 H ATOM 12663 H2 TIP3 3556 67.204 74.365 1.845 1.00 0.00 WT1 H ATOM 12664 OH2 TIP3 3557 20.436 26.060 -10.972 1.00 0.00 WT1 O ATOM 12665 H1 TIP3 3557 19.702 25.796 -10.417 1.00 0.00 WT1 H ATOM 12666 H2 TIP3 3557 21.100 25.385 -10.830 1.00 0.00 WT1 H ATOM 12667 OH2 TIP3 3558 72.560 31.956 14.573 1.00 0.00 WT1 O ATOM 12668 H1 TIP3 3558 71.720 32.348 14.337 1.00 0.00 WT1 H ATOM 12669 H2 TIP3 3558 72.412 31.573 15.438 1.00 0.00 WT1 H ATOM 12670 OH2 TIP3 3559 45.451 41.807 61.430 1.00 0.00 WT1 O ATOM 12671 H1 TIP3 3559 45.435 40.883 61.681 1.00 0.00 WT1 H ATOM 12672 H2 TIP3 3559 45.324 41.800 60.481 1.00 0.00 WT1 H ATOM 12673 OH2 TIP3 3560 42.540 11.393 54.946 1.00 0.00 WT1 O ATOM 12674 H1 TIP3 3560 43.245 12.038 54.979 1.00 0.00 WT1 H ATOM 12675 H2 TIP3 3560 42.454 11.085 55.849 1.00 0.00 WT1 H ATOM 12676 OH2 TIP3 3561 31.745 8.114 -5.390 1.00 0.00 WT1 O ATOM 12677 H1 TIP3 3561 31.687 8.986 -5.782 1.00 0.00 WT1 H ATOM 12678 H2 TIP3 3561 31.981 8.276 -4.477 1.00 0.00 WT1 H ATOM 12679 OH2 TIP3 3562 25.743 17.098 58.122 1.00 0.00 WT1 O ATOM 12680 H1 TIP3 3562 25.522 16.168 58.155 1.00 0.00 WT1 H ATOM 12681 H2 TIP3 3562 26.042 17.243 57.224 1.00 0.00 WT1 H ATOM 12682 OH2 TIP3 3563 47.998 5.007 45.610 1.00 0.00 WT1 O ATOM 12683 H1 TIP3 3563 47.707 4.415 46.304 1.00 0.00 WT1 H ATOM 12684 H2 TIP3 3563 48.717 4.541 45.183 1.00 0.00 WT1 H ATOM 12685 OH2 TIP3 3564 65.228 78.944 18.542 1.00 0.00 WT1 O ATOM 12686 H1 TIP3 3564 65.851 79.100 19.252 1.00 0.00 WT1 H ATOM 12687 H2 TIP3 3564 64.440 79.420 18.806 1.00 0.00 WT1 H ATOM 12688 OH2 TIP3 3566 67.940 30.022 43.252 1.00 0.00 WT1 O ATOM 12689 H1 TIP3 3566 67.126 29.737 42.835 1.00 0.00 WT1 H ATOM 12690 H2 TIP3 3566 68.110 29.362 43.923 1.00 0.00 WT1 H ATOM 12691 OH2 TIP3 3567 60.537 79.252 67.374 1.00 0.00 WT1 O ATOM 12692 H1 TIP3 3567 60.914 80.130 67.425 1.00 0.00 WT1 H ATOM 12693 H2 TIP3 3567 60.495 79.063 66.436 1.00 0.00 WT1 H ATOM 12694 OH2 TIP3 3568 26.878 82.392 32.281 1.00 0.00 WT1 O ATOM 12695 H1 TIP3 3568 26.727 81.502 32.600 1.00 0.00 WT1 H ATOM 12696 H2 TIP3 3568 26.077 82.617 31.808 1.00 0.00 WT1 H ATOM 12697 OH2 TIP3 3569 71.924 29.922 25.813 1.00 0.00 WT1 O ATOM 12698 H1 TIP3 3569 72.780 29.603 26.099 1.00 0.00 WT1 H ATOM 12699 H2 TIP3 3569 72.067 30.846 25.612 1.00 0.00 WT1 H ATOM 12700 OH2 TIP3 3570 45.045 91.959 53.140 1.00 0.00 WT1 O ATOM 12701 H1 TIP3 3570 45.416 92.240 52.303 1.00 0.00 WT1 H ATOM 12702 H2 TIP3 3570 45.511 91.150 53.350 1.00 0.00 WT1 H ATOM 12703 OH2 TIP3 3571 53.365 38.923 -9.641 1.00 0.00 WT1 O ATOM 12704 H1 TIP3 3571 52.683 38.252 -9.657 1.00 0.00 WT1 H ATOM 12705 H2 TIP3 3571 52.894 39.740 -9.478 1.00 0.00 WT1 H ATOM 12706 OH2 TIP3 3572 52.662 31.199 32.998 1.00 0.00 WT1 O ATOM 12707 H1 TIP3 3572 52.150 31.070 32.199 1.00 0.00 WT1 H ATOM 12708 H2 TIP3 3572 52.057 31.624 33.605 1.00 0.00 WT1 H ATOM 12709 OH2 TIP3 3573 65.121 83.914 64.948 1.00 0.00 WT1 O ATOM 12710 H1 TIP3 3573 64.736 83.056 64.768 1.00 0.00 WT1 H ATOM 12711 H2 TIP3 3573 66.063 83.782 64.840 1.00 0.00 WT1 H ATOM 12712 OH2 TIP3 3574 29.134 29.328 -17.305 1.00 0.00 WT1 O ATOM 12713 H1 TIP3 3574 28.193 29.503 -17.316 1.00 0.00 WT1 H ATOM 12714 H2 TIP3 3574 29.340 29.065 -18.202 1.00 0.00 WT1 H ATOM 12715 OH2 TIP3 3575 47.735 74.508 47.323 1.00 0.00 WT1 O ATOM 12716 H1 TIP3 3575 47.865 73.576 47.146 1.00 0.00 WT1 H ATOM 12717 H2 TIP3 3575 47.342 74.852 46.520 1.00 0.00 WT1 H ATOM 12718 OH2 TIP3 3576 61.297 29.086 3.302 1.00 0.00 WT1 O ATOM 12719 H1 TIP3 3576 60.548 28.580 2.986 1.00 0.00 WT1 H ATOM 12720 H2 TIP3 3576 60.987 29.494 4.111 1.00 0.00 WT1 H ATOM 12721 OH2 TIP3 3578 71.189 75.809 -15.979 1.00 0.00 WT1 O ATOM 12722 H1 TIP3 3578 71.727 75.780 -15.188 1.00 0.00 WT1 H ATOM 12723 H2 TIP3 3578 71.815 75.730 -16.698 1.00 0.00 WT1 H ATOM 12724 OH2 TIP3 3579 35.850 64.670 15.014 1.00 0.00 WT1 O ATOM 12725 H1 TIP3 3579 35.606 64.032 14.344 1.00 0.00 WT1 H ATOM 12726 H2 TIP3 3579 36.687 64.354 15.354 1.00 0.00 WT1 H ATOM 12727 OH2 TIP3 3582 20.896 88.545 -17.102 1.00 0.00 WT1 O ATOM 12728 H1 TIP3 3582 20.713 88.666 -16.171 1.00 0.00 WT1 H ATOM 12729 H2 TIP3 3582 21.625 87.925 -17.126 1.00 0.00 WT1 H ATOM 12730 OH2 TIP3 3583 65.748 21.471 28.120 1.00 0.00 WT1 O ATOM 12731 H1 TIP3 3583 65.298 22.018 27.477 1.00 0.00 WT1 H ATOM 12732 H2 TIP3 3583 66.609 21.306 27.735 1.00 0.00 WT1 H ATOM 12733 OH2 TIP3 3585 58.262 21.480 -4.546 1.00 0.00 WT1 O ATOM 12734 H1 TIP3 3585 58.048 21.628 -3.624 1.00 0.00 WT1 H ATOM 12735 H2 TIP3 3585 59.152 21.820 -4.642 1.00 0.00 WT1 H ATOM 12736 OH2 TIP3 3586 86.956 65.192 1.289 1.00 0.00 WT1 O ATOM 12737 H1 TIP3 3586 86.666 64.482 1.862 1.00 0.00 WT1 H ATOM 12738 H2 TIP3 3586 87.819 65.435 1.625 1.00 0.00 WT1 H ATOM 12739 OH2 TIP3 3587 68.773 69.854 40.195 1.00 0.00 WT1 O ATOM 12740 H1 TIP3 3587 68.408 69.147 40.726 1.00 0.00 WT1 H ATOM 12741 H2 TIP3 3587 68.746 69.519 39.298 1.00 0.00 WT1 H ATOM 12742 OH2 TIP3 3588 47.140 0.811 15.004 1.00 0.00 WT1 O ATOM 12743 H1 TIP3 3588 47.933 0.671 14.486 1.00 0.00 WT1 H ATOM 12744 H2 TIP3 3588 47.240 0.229 15.758 1.00 0.00 WT1 H ATOM 12745 OH2 TIP3 3589 53.648 81.290 -7.544 1.00 0.00 WT1 O ATOM 12746 H1 TIP3 3589 54.582 81.170 -7.715 1.00 0.00 WT1 H ATOM 12747 H2 TIP3 3589 53.287 81.588 -8.379 1.00 0.00 WT1 H ATOM 12748 OH2 TIP3 3590 43.810 32.830 62.373 1.00 0.00 WT1 O ATOM 12749 H1 TIP3 3590 44.055 32.758 61.451 1.00 0.00 WT1 H ATOM 12750 H2 TIP3 3590 44.630 32.704 62.850 1.00 0.00 WT1 H ATOM 12751 OH2 TIP3 3591 57.419 38.538 -14.812 1.00 0.00 WT1 O ATOM 12752 H1 TIP3 3591 56.982 39.258 -15.266 1.00 0.00 WT1 H ATOM 12753 H2 TIP3 3591 56.910 38.415 -14.011 1.00 0.00 WT1 H ATOM 12754 OH2 TIP3 3592 22.793 1.119 -17.658 1.00 0.00 WT1 O ATOM 12755 H1 TIP3 3592 23.216 0.999 -16.807 1.00 0.00 WT1 H ATOM 12756 H2 TIP3 3592 21.909 1.418 -17.446 1.00 0.00 WT1 H ATOM 12757 OH2 TIP3 3593 59.355 90.170 54.214 1.00 0.00 WT1 O ATOM 12758 H1 TIP3 3593 59.168 90.216 53.277 1.00 0.00 WT1 H ATOM 12759 H2 TIP3 3593 60.151 89.642 54.274 1.00 0.00 WT1 H ATOM 12760 OH2 TIP3 3594 63.319 79.514 8.320 1.00 0.00 WT1 O ATOM 12761 H1 TIP3 3594 63.587 79.673 7.414 1.00 0.00 WT1 H ATOM 12762 H2 TIP3 3594 63.582 78.610 8.493 1.00 0.00 WT1 H ATOM 12763 OH2 TIP3 3595 66.359 14.317 13.664 1.00 0.00 WT1 O ATOM 12764 H1 TIP3 3595 65.886 13.719 13.086 1.00 0.00 WT1 H ATOM 12765 H2 TIP3 3595 65.726 14.543 14.346 1.00 0.00 WT1 H ATOM 12766 OH2 TIP3 3596 32.648 23.455 -10.262 1.00 0.00 WT1 O ATOM 12767 H1 TIP3 3596 31.915 22.852 -10.384 1.00 0.00 WT1 H ATOM 12768 H2 TIP3 3596 32.696 23.586 -9.315 1.00 0.00 WT1 H ATOM 12769 OH2 TIP3 3597 61.852 86.695 6.976 1.00 0.00 WT1 O ATOM 12770 H1 TIP3 3597 62.640 86.271 7.316 1.00 0.00 WT1 H ATOM 12771 H2 TIP3 3597 61.248 86.710 7.719 1.00 0.00 WT1 H ATOM 12772 OH2 TIP3 3598 21.071 93.044 14.759 1.00 0.00 WT1 O ATOM 12773 H1 TIP3 3598 21.863 92.749 15.206 1.00 0.00 WT1 H ATOM 12774 H2 TIP3 3598 21.388 93.621 14.063 1.00 0.00 WT1 H ATOM 12775 OH2 TIP3 3599 60.724 9.668 -6.964 1.00 0.00 WT1 O ATOM 12776 H1 TIP3 3599 61.012 8.800 -6.682 1.00 0.00 WT1 H ATOM 12777 H2 TIP3 3599 61.406 10.262 -6.649 1.00 0.00 WT1 H ATOM 12778 OH2 TIP3 3602 30.914 91.001 9.106 1.00 0.00 WT1 O ATOM 12779 H1 TIP3 3602 30.960 90.051 9.217 1.00 0.00 WT1 H ATOM 12780 H2 TIP3 3602 30.748 91.338 9.986 1.00 0.00 WT1 H ATOM 12781 OH2 TIP3 3603 48.193 90.626 -14.117 1.00 0.00 WT1 O ATOM 12782 H1 TIP3 3603 47.595 90.274 -13.457 1.00 0.00 WT1 H ATOM 12783 H2 TIP3 3603 47.731 91.382 -14.479 1.00 0.00 WT1 H ATOM 12784 OH2 TIP3 3604 86.713 91.031 11.496 1.00 0.00 WT1 O ATOM 12785 H1 TIP3 3604 86.275 91.859 11.300 1.00 0.00 WT1 H ATOM 12786 H2 TIP3 3604 86.340 90.754 12.333 1.00 0.00 WT1 H ATOM 12787 OH2 TIP3 3606 70.182 77.773 45.033 1.00 0.00 WT1 O ATOM 12788 H1 TIP3 3606 69.608 77.030 44.847 1.00 0.00 WT1 H ATOM 12789 H2 TIP3 3606 70.559 77.576 45.891 1.00 0.00 WT1 H ATOM 12790 OH2 TIP3 3607 32.463 62.452 31.433 1.00 0.00 WT1 O ATOM 12791 H1 TIP3 3607 33.291 62.348 31.901 1.00 0.00 WT1 H ATOM 12792 H2 TIP3 3607 32.697 62.925 30.634 1.00 0.00 WT1 H ATOM 12793 OH2 TIP3 3608 39.945 92.549 37.275 1.00 0.00 WT1 O ATOM 12794 H1 TIP3 3608 39.826 92.110 38.117 1.00 0.00 WT1 H ATOM 12795 H2 TIP3 3608 39.450 92.016 36.653 1.00 0.00 WT1 H ATOM 12796 OH2 TIP3 3609 66.822 7.451 23.201 1.00 0.00 WT1 O ATOM 12797 H1 TIP3 3609 67.349 6.689 23.440 1.00 0.00 WT1 H ATOM 12798 H2 TIP3 3609 67.195 8.171 23.710 1.00 0.00 WT1 H ATOM 12799 OH2 TIP3 3610 63.316 51.856 -0.152 1.00 0.00 WT1 O ATOM 12800 H1 TIP3 3610 62.906 52.720 -0.200 1.00 0.00 WT1 H ATOM 12801 H2 TIP3 3610 62.871 51.419 0.574 1.00 0.00 WT1 H ATOM 12802 OH2 TIP3 3611 27.583 46.017 30.804 1.00 0.00 WT1 O ATOM 12803 H1 TIP3 3611 27.715 46.543 30.016 1.00 0.00 WT1 H ATOM 12804 H2 TIP3 3611 27.734 45.115 30.520 1.00 0.00 WT1 H ATOM 12805 OH2 TIP3 3612 47.240 16.680 37.145 1.00 0.00 WT1 O ATOM 12806 H1 TIP3 3612 47.855 17.328 36.801 1.00 0.00 WT1 H ATOM 12807 H2 TIP3 3612 47.025 16.996 38.023 1.00 0.00 WT1 H ATOM 12808 OH2 TIP3 3613 23.039 67.415 58.081 1.00 0.00 WT1 O ATOM 12809 H1 TIP3 3613 22.551 68.178 58.391 1.00 0.00 WT1 H ATOM 12810 H2 TIP3 3613 23.026 67.494 57.127 1.00 0.00 WT1 H ATOM 12811 OH2 TIP3 3614 81.211 27.139 1.366 1.00 0.00 WT1 O ATOM 12812 H1 TIP3 3614 80.635 26.376 1.313 1.00 0.00 WT1 H ATOM 12813 H2 TIP3 3614 81.332 27.412 0.457 1.00 0.00 WT1 H ATOM 12814 OH2 TIP3 3615 37.622 46.225 2.813 1.00 0.00 WT1 O ATOM 12815 H1 TIP3 3615 36.976 45.637 3.206 1.00 0.00 WT1 H ATOM 12816 H2 TIP3 3615 38.446 45.998 3.244 1.00 0.00 WT1 H ATOM 12817 OH2 TIP3 3616 63.655 77.839 14.754 1.00 0.00 WT1 O ATOM 12818 H1 TIP3 3616 64.438 78.170 15.194 1.00 0.00 WT1 H ATOM 12819 H2 TIP3 3616 63.857 76.925 14.558 1.00 0.00 WT1 H ATOM 12820 OH2 TIP3 3618 31.632 6.751 1.608 1.00 0.00 WT1 O ATOM 12821 H1 TIP3 3618 32.107 7.471 1.193 1.00 0.00 WT1 H ATOM 12822 H2 TIP3 3618 31.295 6.233 0.878 1.00 0.00 WT1 H ATOM 12823 OH2 TIP3 3619 82.567 4.114 -11.639 1.00 0.00 WT1 O ATOM 12824 H1 TIP3 3619 83.283 3.560 -11.950 1.00 0.00 WT1 H ATOM 12825 H2 TIP3 3619 81.952 3.505 -11.231 1.00 0.00 WT1 H ATOM 12826 OH2 TIP3 3620 67.290 56.934 5.008 1.00 0.00 WT1 O ATOM 12827 H1 TIP3 3620 67.487 57.697 5.551 1.00 0.00 WT1 H ATOM 12828 H2 TIP3 3620 67.056 56.248 5.633 1.00 0.00 WT1 H ATOM 12829 OH2 TIP3 3621 29.353 94.682 35.552 1.00 0.00 WT1 O ATOM 12830 H1 TIP3 3621 30.073 94.148 35.888 1.00 0.00 WT1 H ATOM 12831 H2 TIP3 3621 29.405 95.497 36.053 1.00 0.00 WT1 H ATOM 12832 OH2 TIP3 3622 37.832 54.935 7.867 1.00 0.00 WT1 O ATOM 12833 H1 TIP3 3622 37.753 54.069 7.467 1.00 0.00 WT1 H ATOM 12834 H2 TIP3 3622 38.594 54.865 8.443 1.00 0.00 WT1 H ATOM 12835 OH2 TIP3 3623 66.416 67.087 62.223 1.00 0.00 WT1 O ATOM 12836 H1 TIP3 3623 67.278 67.421 62.471 1.00 0.00 WT1 H ATOM 12837 H2 TIP3 3623 66.496 66.136 62.298 1.00 0.00 WT1 H ATOM 12838 OH2 TIP3 3626 39.781 46.552 4.544 1.00 0.00 WT1 O ATOM 12839 H1 TIP3 3626 40.357 47.299 4.711 1.00 0.00 WT1 H ATOM 12840 H2 TIP3 3626 39.735 46.093 5.383 1.00 0.00 WT1 H ATOM 12841 OH2 TIP3 3627 47.322 40.263 14.406 1.00 0.00 WT1 O ATOM 12842 H1 TIP3 3627 46.407 40.333 14.677 1.00 0.00 WT1 H ATOM 12843 H2 TIP3 3627 47.721 39.684 15.056 1.00 0.00 WT1 H ATOM 12844 OH2 TIP3 3629 67.990 30.965 -18.428 1.00 0.00 WT1 O ATOM 12845 H1 TIP3 3629 67.153 31.428 -18.393 1.00 0.00 WT1 H ATOM 12846 H2 TIP3 3629 67.932 30.311 -17.732 1.00 0.00 WT1 H ATOM 12847 OH2 TIP3 3630 30.135 93.031 65.051 1.00 0.00 WT1 O ATOM 12848 H1 TIP3 3630 29.843 92.817 64.165 1.00 0.00 WT1 H ATOM 12849 H2 TIP3 3630 29.475 92.636 65.622 1.00 0.00 WT1 H ATOM 12850 OH2 TIP3 3631 25.889 76.460 31.082 1.00 0.00 WT1 O ATOM 12851 H1 TIP3 3631 26.696 76.120 31.468 1.00 0.00 WT1 H ATOM 12852 H2 TIP3 3631 25.609 75.777 30.472 1.00 0.00 WT1 H ATOM 12853 OH2 TIP3 3632 30.121 34.527 20.188 1.00 0.00 WT1 O ATOM 12854 H1 TIP3 3632 30.748 34.690 20.893 1.00 0.00 WT1 H ATOM 12855 H2 TIP3 3632 30.635 34.094 19.506 1.00 0.00 WT1 H ATOM 12856 OH2 TIP3 3633 74.526 91.192 61.630 1.00 0.00 WT1 O ATOM 12857 H1 TIP3 3633 74.654 90.650 60.851 1.00 0.00 WT1 H ATOM 12858 H2 TIP3 3633 74.574 92.092 61.308 1.00 0.00 WT1 H ATOM 12859 OH2 TIP3 3634 69.438 82.837 33.088 1.00 0.00 WT1 O ATOM 12860 H1 TIP3 3634 70.344 82.865 32.782 1.00 0.00 WT1 H ATOM 12861 H2 TIP3 3634 68.930 83.212 32.368 1.00 0.00 WT1 H ATOM 12862 OH2 TIP3 3635 68.958 69.979 -10.065 1.00 0.00 WT1 O ATOM 12863 H1 TIP3 3635 69.037 69.627 -9.178 1.00 0.00 WT1 H ATOM 12864 H2 TIP3 3635 68.040 69.842 -10.296 1.00 0.00 WT1 H ATOM 12865 OH2 TIP3 3636 83.090 28.446 33.362 1.00 0.00 WT1 O ATOM 12866 H1 TIP3 3636 82.271 28.046 33.071 1.00 0.00 WT1 H ATOM 12867 H2 TIP3 3636 82.837 28.999 34.101 1.00 0.00 WT1 H ATOM 12868 OH2 TIP3 3637 28.752 95.154 -18.388 1.00 0.00 WT1 O ATOM 12869 H1 TIP3 3637 27.868 95.120 -18.752 1.00 0.00 WT1 H ATOM 12870 H2 TIP3 3637 28.621 95.288 -17.450 1.00 0.00 WT1 H ATOM 12871 OH2 TIP3 3638 53.638 42.786 35.763 1.00 0.00 WT1 O ATOM 12872 H1 TIP3 3638 52.947 43.254 36.231 1.00 0.00 WT1 H ATOM 12873 H2 TIP3 3638 53.435 42.922 34.837 1.00 0.00 WT1 H ATOM 12874 OH2 TIP3 3639 44.730 89.297 36.233 1.00 0.00 WT1 O ATOM 12875 H1 TIP3 3639 45.102 88.419 36.147 1.00 0.00 WT1 H ATOM 12876 H2 TIP3 3639 44.130 89.377 35.492 1.00 0.00 WT1 H ATOM 12877 OH2 TIP3 3640 74.388 2.741 -4.301 1.00 0.00 WT1 O ATOM 12878 H1 TIP3 3640 73.880 3.509 -4.562 1.00 0.00 WT1 H ATOM 12879 H2 TIP3 3640 74.273 2.121 -5.021 1.00 0.00 WT1 H ATOM 12880 OH2 TIP3 3641 66.499 74.134 27.574 1.00 0.00 WT1 O ATOM 12881 H1 TIP3 3641 66.309 73.711 26.737 1.00 0.00 WT1 H ATOM 12882 H2 TIP3 3641 66.205 73.504 28.233 1.00 0.00 WT1 H ATOM 12883 OH2 TIP3 3642 49.683 82.004 21.561 1.00 0.00 WT1 O ATOM 12884 H1 TIP3 3642 50.315 82.590 21.977 1.00 0.00 WT1 H ATOM 12885 H2 TIP3 3642 49.652 81.238 22.134 1.00 0.00 WT1 H ATOM 12886 OH2 TIP3 3643 66.345 5.933 59.782 1.00 0.00 WT1 O ATOM 12887 H1 TIP3 3643 66.412 6.130 58.848 1.00 0.00 WT1 H ATOM 12888 H2 TIP3 3643 65.502 6.302 60.046 1.00 0.00 WT1 H ATOM 12889 OH2 TIP3 3646 35.555 8.857 34.622 1.00 0.00 WT1 O ATOM 12890 H1 TIP3 3646 34.853 9.276 35.120 1.00 0.00 WT1 H ATOM 12891 H2 TIP3 3646 35.377 9.092 33.711 1.00 0.00 WT1 H ATOM 12892 OH2 TIP3 3647 50.356 14.029 38.339 1.00 0.00 WT1 O ATOM 12893 H1 TIP3 3647 49.519 14.082 38.800 1.00 0.00 WT1 H ATOM 12894 H2 TIP3 3647 51.012 13.988 39.035 1.00 0.00 WT1 H ATOM 12895 OH2 TIP3 3648 51.464 84.422 12.041 1.00 0.00 WT1 O ATOM 12896 H1 TIP3 3648 51.284 83.534 12.351 1.00 0.00 WT1 H ATOM 12897 H2 TIP3 3648 50.608 84.764 11.784 1.00 0.00 WT1 H ATOM 12898 OH2 TIP3 3649 35.820 25.707 56.679 1.00 0.00 WT1 O ATOM 12899 H1 TIP3 3649 36.664 25.775 57.125 1.00 0.00 WT1 H ATOM 12900 H2 TIP3 3649 35.943 26.185 55.859 1.00 0.00 WT1 H ATOM 12901 OH2 TIP3 3650 30.332 77.434 46.223 1.00 0.00 WT1 O ATOM 12902 H1 TIP3 3650 31.203 77.410 45.828 1.00 0.00 WT1 H ATOM 12903 H2 TIP3 3650 29.764 77.016 45.576 1.00 0.00 WT1 H ATOM 12904 OH2 TIP3 3651 29.974 18.446 62.858 1.00 0.00 WT1 O ATOM 12905 H1 TIP3 3651 30.613 18.305 63.558 1.00 0.00 WT1 H ATOM 12906 H2 TIP3 3651 29.590 19.300 63.053 1.00 0.00 WT1 H ATOM 12907 OH2 TIP3 3652 33.209 13.329 43.751 1.00 0.00 WT1 O ATOM 12908 H1 TIP3 3652 32.511 13.025 44.331 1.00 0.00 WT1 H ATOM 12909 H2 TIP3 3652 33.963 12.785 43.977 1.00 0.00 WT1 H ATOM 12910 OH2 TIP3 3653 57.491 4.075 -12.566 1.00 0.00 WT1 O ATOM 12911 H1 TIP3 3653 56.812 3.693 -12.010 1.00 0.00 WT1 H ATOM 12912 H2 TIP3 3653 58.231 3.472 -12.491 1.00 0.00 WT1 H ATOM 12913 OH2 TIP3 3654 80.502 7.465 -12.446 1.00 0.00 WT1 O ATOM 12914 H1 TIP3 3654 80.009 6.913 -11.838 1.00 0.00 WT1 H ATOM 12915 H2 TIP3 3654 81.385 7.498 -12.077 1.00 0.00 WT1 H ATOM 12916 OH2 TIP3 3655 37.684 43.305 44.611 1.00 0.00 WT1 O ATOM 12917 H1 TIP3 3655 38.386 43.833 44.990 1.00 0.00 WT1 H ATOM 12918 H2 TIP3 3655 36.879 43.759 44.862 1.00 0.00 WT1 H ATOM 12919 OH2 TIP3 3656 63.754 84.948 49.542 1.00 0.00 WT1 O ATOM 12920 H1 TIP3 3656 62.855 84.677 49.726 1.00 0.00 WT1 H ATOM 12921 H2 TIP3 3656 63.978 84.498 48.727 1.00 0.00 WT1 H ATOM 12922 OH2 TIP3 3657 32.762 10.042 55.928 1.00 0.00 WT1 O ATOM 12923 H1 TIP3 3657 33.172 10.603 55.270 1.00 0.00 WT1 H ATOM 12924 H2 TIP3 3657 32.260 10.643 56.477 1.00 0.00 WT1 H ATOM 12925 OH2 TIP3 3658 63.976 88.234 19.006 1.00 0.00 WT1 O ATOM 12926 H1 TIP3 3658 64.396 88.441 19.841 1.00 0.00 WT1 H ATOM 12927 H2 TIP3 3658 63.094 87.949 19.245 1.00 0.00 WT1 H ATOM 12928 OH2 TIP3 3659 89.427 76.845 38.237 1.00 0.00 WT1 O ATOM 12929 H1 TIP3 3659 89.654 75.918 38.312 1.00 0.00 WT1 H ATOM 12930 H2 TIP3 3659 88.500 76.847 38.000 1.00 0.00 WT1 H ATOM 12931 OH2 TIP3 3660 26.392 61.566 -15.396 1.00 0.00 WT1 O ATOM 12932 H1 TIP3 3660 27.138 61.438 -15.982 1.00 0.00 WT1 H ATOM 12933 H2 TIP3 3660 25.809 62.156 -15.875 1.00 0.00 WT1 H ATOM 12934 OH2 TIP3 3661 36.944 14.608 28.045 1.00 0.00 WT1 O ATOM 12935 H1 TIP3 3661 37.219 15.300 27.443 1.00 0.00 WT1 H ATOM 12936 H2 TIP3 3661 36.101 14.908 28.386 1.00 0.00 WT1 H ATOM 12937 OH2 TIP3 3662 23.206 4.661 34.077 1.00 0.00 WT1 O ATOM 12938 H1 TIP3 3662 23.549 5.550 33.977 1.00 0.00 WT1 H ATOM 12939 H2 TIP3 3662 22.769 4.478 33.246 1.00 0.00 WT1 H ATOM 12940 OH2 TIP3 3663 59.494 12.481 48.966 1.00 0.00 WT1 O ATOM 12941 H1 TIP3 3663 59.840 13.311 48.640 1.00 0.00 WT1 H ATOM 12942 H2 TIP3 3663 59.071 12.705 49.794 1.00 0.00 WT1 H ATOM 12943 OH2 TIP3 3664 35.337 5.045 15.761 1.00 0.00 WT1 O ATOM 12944 H1 TIP3 3664 34.544 5.423 16.140 1.00 0.00 WT1 H ATOM 12945 H2 TIP3 3664 35.953 5.776 15.714 1.00 0.00 WT1 H ATOM 12946 OH2 TIP3 3665 53.788 41.584 48.639 1.00 0.00 WT1 O ATOM 12947 H1 TIP3 3665 53.787 42.196 47.903 1.00 0.00 WT1 H ATOM 12948 H2 TIP3 3665 53.614 42.130 49.405 1.00 0.00 WT1 H ATOM 12949 OH2 TIP3 3666 86.584 30.307 -6.775 1.00 0.00 WT1 O ATOM 12950 H1 TIP3 3666 87.009 31.008 -6.281 1.00 0.00 WT1 H ATOM 12951 H2 TIP3 3666 86.569 30.624 -7.678 1.00 0.00 WT1 H ATOM 12952 OH2 TIP3 3668 87.193 7.625 7.778 1.00 0.00 WT1 O ATOM 12953 H1 TIP3 3668 87.147 6.681 7.624 1.00 0.00 WT1 H ATOM 12954 H2 TIP3 3668 86.646 8.007 7.091 1.00 0.00 WT1 H ATOM 12955 OH2 TIP3 3669 78.286 89.425 1.470 1.00 0.00 WT1 O ATOM 12956 H1 TIP3 3669 77.789 90.125 1.047 1.00 0.00 WT1 H ATOM 12957 H2 TIP3 3669 77.620 88.866 1.870 1.00 0.00 WT1 H ATOM 12958 OH2 TIP3 3670 88.313 93.284 46.103 1.00 0.00 WT1 O ATOM 12959 H1 TIP3 3670 88.063 93.847 45.371 1.00 0.00 WT1 H ATOM 12960 H2 TIP3 3670 87.976 93.734 46.878 1.00 0.00 WT1 H ATOM 12961 OH2 TIP3 3672 48.106 20.790 35.184 1.00 0.00 WT1 O ATOM 12962 H1 TIP3 3672 48.971 21.060 34.874 1.00 0.00 WT1 H ATOM 12963 H2 TIP3 3672 48.255 19.939 35.597 1.00 0.00 WT1 H ATOM 12964 OH2 TIP3 3673 84.316 79.327 -9.569 1.00 0.00 WT1 O ATOM 12965 H1 TIP3 3673 84.543 79.253 -8.642 1.00 0.00 WT1 H ATOM 12966 H2 TIP3 3673 83.360 79.284 -9.585 1.00 0.00 WT1 H ATOM 12967 OH2 TIP3 3674 50.667 79.417 11.558 1.00 0.00 WT1 O ATOM 12968 H1 TIP3 3674 50.201 78.588 11.666 1.00 0.00 WT1 H ATOM 12969 H2 TIP3 3674 51.531 79.165 11.231 1.00 0.00 WT1 H ATOM 12970 OH2 TIP3 3675 83.143 6.080 58.339 1.00 0.00 WT1 O ATOM 12971 H1 TIP3 3675 82.826 6.981 58.403 1.00 0.00 WT1 H ATOM 12972 H2 TIP3 3675 84.029 6.111 58.700 1.00 0.00 WT1 H ATOM 12973 OH2 TIP3 3676 61.364 11.142 4.210 1.00 0.00 WT1 O ATOM 12974 H1 TIP3 3676 60.550 11.343 3.748 1.00 0.00 WT1 H ATOM 12975 H2 TIP3 3676 61.570 11.942 4.693 1.00 0.00 WT1 H ATOM 12976 OH2 TIP3 3677 75.167 28.563 46.535 1.00 0.00 WT1 O ATOM 12977 H1 TIP3 3677 76.050 28.825 46.275 1.00 0.00 WT1 H ATOM 12978 H2 TIP3 3677 74.840 28.051 45.795 1.00 0.00 WT1 H ATOM 12979 OH2 TIP3 3678 76.179 23.370 -0.140 1.00 0.00 WT1 O ATOM 12980 H1 TIP3 3678 76.403 24.008 -0.817 1.00 0.00 WT1 H ATOM 12981 H2 TIP3 3678 76.964 22.830 -0.049 1.00 0.00 WT1 H ATOM 12982 OH2 TIP3 3679 68.208 92.374 31.233 1.00 0.00 WT1 O ATOM 12983 H1 TIP3 3679 67.441 92.682 30.751 1.00 0.00 WT1 H ATOM 12984 H2 TIP3 3679 67.972 92.482 32.154 1.00 0.00 WT1 H ATOM 12985 OH2 TIP3 3680 64.914 13.176 9.338 1.00 0.00 WT1 O ATOM 12986 H1 TIP3 3680 65.584 12.841 9.934 1.00 0.00 WT1 H ATOM 12987 H2 TIP3 3680 64.571 12.397 8.901 1.00 0.00 WT1 H ATOM 12988 OH2 TIP3 3681 50.159 3.615 44.644 1.00 0.00 WT1 O ATOM 12989 H1 TIP3 3681 50.427 2.698 44.589 1.00 0.00 WT1 H ATOM 12990 H2 TIP3 3681 50.836 4.092 44.164 1.00 0.00 WT1 H ATOM 12991 OH2 TIP3 3682 40.473 17.710 25.131 1.00 0.00 WT1 O ATOM 12992 H1 TIP3 3682 40.662 16.778 25.241 1.00 0.00 WT1 H ATOM 12993 H2 TIP3 3682 41.236 18.056 24.668 1.00 0.00 WT1 H ATOM 12994 OH2 TIP3 3683 26.007 28.503 -3.870 1.00 0.00 WT1 O ATOM 12995 H1 TIP3 3683 26.953 28.641 -3.929 1.00 0.00 WT1 H ATOM 12996 H2 TIP3 3683 25.715 29.129 -3.208 1.00 0.00 WT1 H ATOM 12997 OH2 TIP3 3685 87.254 52.384 -8.181 1.00 0.00 WT1 O ATOM 12998 H1 TIP3 3685 87.098 52.317 -9.123 1.00 0.00 WT1 H ATOM 12999 H2 TIP3 3685 86.883 53.231 -7.936 1.00 0.00 WT1 H ATOM 13000 OH2 TIP3 3686 74.784 24.063 15.322 1.00 0.00 WT1 O ATOM 13001 H1 TIP3 3686 74.003 23.619 15.651 1.00 0.00 WT1 H ATOM 13002 H2 TIP3 3686 75.294 24.265 16.107 1.00 0.00 WT1 H ATOM 13003 OH2 TIP3 3687 78.051 31.695 50.403 1.00 0.00 WT1 O ATOM 13004 H1 TIP3 3687 78.022 30.742 50.483 1.00 0.00 WT1 H ATOM 13005 H2 TIP3 3687 78.595 31.855 49.632 1.00 0.00 WT1 H ATOM 13006 OH2 TIP3 3689 77.215 39.058 21.261 1.00 0.00 WT1 O ATOM 13007 H1 TIP3 3689 76.666 39.507 20.619 1.00 0.00 WT1 H ATOM 13008 H2 TIP3 3689 76.948 38.140 21.206 1.00 0.00 WT1 H ATOM 13009 OH2 TIP3 3691 83.744 46.782 48.840 1.00 0.00 WT1 O ATOM 13010 H1 TIP3 3691 83.943 47.540 49.390 1.00 0.00 WT1 H ATOM 13011 H2 TIP3 3691 83.198 47.132 48.136 1.00 0.00 WT1 H ATOM 13012 OH2 TIP3 3692 43.326 76.283 65.671 1.00 0.00 WT1 O ATOM 13013 H1 TIP3 3692 42.847 76.954 65.184 1.00 0.00 WT1 H ATOM 13014 H2 TIP3 3692 42.986 75.454 65.334 1.00 0.00 WT1 H ATOM 13015 OH2 TIP3 3693 57.572 9.490 62.469 1.00 0.00 WT1 O ATOM 13016 H1 TIP3 3693 57.749 8.660 62.027 1.00 0.00 WT1 H ATOM 13017 H2 TIP3 3693 58.434 9.812 62.731 1.00 0.00 WT1 H ATOM 13018 OH2 TIP3 3694 26.476 2.730 -2.619 1.00 0.00 WT1 O ATOM 13019 H1 TIP3 3694 27.225 2.788 -2.027 1.00 0.00 WT1 H ATOM 13020 H2 TIP3 3694 26.759 3.188 -3.410 1.00 0.00 WT1 H ATOM 13021 OH2 TIP3 3695 62.668 48.797 -8.585 1.00 0.00 WT1 O ATOM 13022 H1 TIP3 3695 62.464 49.717 -8.752 1.00 0.00 WT1 H ATOM 13023 H2 TIP3 3695 62.198 48.590 -7.777 1.00 0.00 WT1 H ATOM 13024 OH2 TIP3 3696 44.224 4.446 59.210 1.00 0.00 WT1 O ATOM 13025 H1 TIP3 3696 44.373 3.505 59.294 1.00 0.00 WT1 H ATOM 13026 H2 TIP3 3696 44.755 4.836 59.905 1.00 0.00 WT1 H ATOM 13027 OH2 TIP3 3697 65.922 17.854 31.738 1.00 0.00 WT1 O ATOM 13028 H1 TIP3 3697 65.566 18.297 30.967 1.00 0.00 WT1 H ATOM 13029 H2 TIP3 3697 66.869 17.966 31.663 1.00 0.00 WT1 H ATOM 13030 OH2 TIP3 3698 37.672 41.386 38.390 1.00 0.00 WT1 O ATOM 13031 H1 TIP3 3698 37.600 42.244 37.972 1.00 0.00 WT1 H ATOM 13032 H2 TIP3 3698 38.612 41.212 38.420 1.00 0.00 WT1 H ATOM 13033 OH2 TIP3 3699 20.691 17.218 40.804 1.00 0.00 WT1 O ATOM 13034 H1 TIP3 3699 20.026 16.562 40.594 1.00 0.00 WT1 H ATOM 13035 H2 TIP3 3699 21.393 16.722 41.226 1.00 0.00 WT1 H ATOM 13036 OH2 TIP3 3700 24.432 68.940 -7.412 1.00 0.00 WT1 O ATOM 13037 H1 TIP3 3700 24.703 68.513 -6.599 1.00 0.00 WT1 H ATOM 13038 H2 TIP3 3700 25.193 69.457 -7.676 1.00 0.00 WT1 H ATOM 13039 OH2 TIP3 3701 57.884 22.914 11.415 1.00 0.00 WT1 O ATOM 13040 H1 TIP3 3701 58.179 23.769 11.100 1.00 0.00 WT1 H ATOM 13041 H2 TIP3 3701 57.731 23.042 12.351 1.00 0.00 WT1 H ATOM 13042 OH2 TIP3 3702 56.278 12.605 58.408 1.00 0.00 WT1 O ATOM 13043 H1 TIP3 3702 55.927 12.006 59.066 1.00 0.00 WT1 H ATOM 13044 H2 TIP3 3702 55.512 13.078 58.081 1.00 0.00 WT1 H ATOM 13045 OH2 TIP3 3703 68.610 17.908 29.115 1.00 0.00 WT1 O ATOM 13046 H1 TIP3 3703 68.063 17.242 28.698 1.00 0.00 WT1 H ATOM 13047 H2 TIP3 3703 68.547 18.668 28.535 1.00 0.00 WT1 H ATOM 13048 OH2 TIP3 3704 65.504 29.688 1.228 1.00 0.00 WT1 O ATOM 13049 H1 TIP3 3704 64.668 29.959 1.608 1.00 0.00 WT1 H ATOM 13050 H2 TIP3 3704 66.131 30.342 1.536 1.00 0.00 WT1 H ATOM 13051 OH2 TIP3 3705 75.117 45.763 22.375 1.00 0.00 WT1 O ATOM 13052 H1 TIP3 3705 74.412 46.411 22.398 1.00 0.00 WT1 H ATOM 13053 H2 TIP3 3705 75.413 45.763 21.465 1.00 0.00 WT1 H ATOM 13054 OH2 TIP3 3706 36.761 3.411 26.112 1.00 0.00 WT1 O ATOM 13055 H1 TIP3 3706 36.665 2.939 26.940 1.00 0.00 WT1 H ATOM 13056 H2 TIP3 3706 37.489 2.974 25.670 1.00 0.00 WT1 H ATOM 13057 OH2 TIP3 3708 86.132 4.529 0.793 1.00 0.00 WT1 O ATOM 13058 H1 TIP3 3708 86.075 3.575 0.743 1.00 0.00 WT1 H ATOM 13059 H2 TIP3 3708 86.938 4.697 1.281 1.00 0.00 WT1 H ATOM 13060 OH2 TIP3 3710 83.714 9.074 43.348 1.00 0.00 WT1 O ATOM 13061 H1 TIP3 3710 83.663 8.258 42.851 1.00 0.00 WT1 H ATOM 13062 H2 TIP3 3710 82.806 9.273 43.578 1.00 0.00 WT1 H ATOM 13063 OH2 TIP3 3711 42.443 51.369 51.062 1.00 0.00 WT1 O ATOM 13064 H1 TIP3 3711 43.387 51.504 50.975 1.00 0.00 WT1 H ATOM 13065 H2 TIP3 3711 42.358 50.476 51.397 1.00 0.00 WT1 H ATOM 13066 OH2 TIP3 3712 61.873 3.765 53.826 1.00 0.00 WT1 O ATOM 13067 H1 TIP3 3712 62.815 3.647 53.705 1.00 0.00 WT1 H ATOM 13068 H2 TIP3 3712 61.677 3.300 54.640 1.00 0.00 WT1 H ATOM 13069 OH2 TIP3 3715 30.093 7.702 4.364 1.00 0.00 WT1 O ATOM 13070 H1 TIP3 3715 29.299 8.213 4.208 1.00 0.00 WT1 H ATOM 13071 H2 TIP3 3715 29.835 6.798 4.185 1.00 0.00 WT1 H ATOM 13072 OH2 TIP3 3717 41.523 66.821 -11.032 1.00 0.00 WT1 O ATOM 13073 H1 TIP3 3717 42.141 66.183 -10.674 1.00 0.00 WT1 H ATOM 13074 H2 TIP3 3717 41.001 67.099 -10.280 1.00 0.00 WT1 H ATOM 13075 OH2 TIP3 3718 40.070 71.377 1.025 1.00 0.00 WT1 O ATOM 13076 H1 TIP3 3718 40.403 71.558 1.904 1.00 0.00 WT1 H ATOM 13077 H2 TIP3 3718 39.127 71.533 1.089 1.00 0.00 WT1 H ATOM 13078 OH2 TIP3 3719 38.852 32.100 1.493 1.00 0.00 WT1 O ATOM 13079 H1 TIP3 3719 39.089 33.027 1.533 1.00 0.00 WT1 H ATOM 13080 H2 TIP3 3719 39.690 31.641 1.439 1.00 0.00 WT1 H ATOM 13081 OH2 TIP3 3720 80.944 16.823 0.793 1.00 0.00 WT1 O ATOM 13082 H1 TIP3 3720 80.821 17.613 0.267 1.00 0.00 WT1 H ATOM 13083 H2 TIP3 3720 80.839 17.118 1.698 1.00 0.00 WT1 H ATOM 13084 OH2 TIP3 3721 62.729 45.920 39.721 1.00 0.00 WT1 O ATOM 13085 H1 TIP3 3721 63.576 45.704 39.331 1.00 0.00 WT1 H ATOM 13086 H2 TIP3 3721 62.085 45.581 39.099 1.00 0.00 WT1 H ATOM 13087 OH2 TIP3 3722 30.923 74.821 60.590 1.00 0.00 WT1 O ATOM 13088 H1 TIP3 3722 30.856 74.215 61.328 1.00 0.00 WT1 H ATOM 13089 H2 TIP3 3722 31.068 74.258 59.829 1.00 0.00 WT1 H ATOM 13090 OH2 TIP3 3723 60.881 6.515 19.174 1.00 0.00 WT1 O ATOM 13091 H1 TIP3 3723 61.058 7.429 18.950 1.00 0.00 WT1 H ATOM 13092 H2 TIP3 3723 60.805 6.071 18.330 1.00 0.00 WT1 H ATOM 13093 OH2 TIP3 3724 39.129 16.070 21.544 1.00 0.00 WT1 O ATOM 13094 H1 TIP3 3724 39.899 16.634 21.613 1.00 0.00 WT1 H ATOM 13095 H2 TIP3 3724 38.600 16.469 20.854 1.00 0.00 WT1 H ATOM 13096 OH2 TIP3 3727 88.823 36.039 18.190 1.00 0.00 WT1 O ATOM 13097 H1 TIP3 3727 89.262 35.598 17.463 1.00 0.00 WT1 H ATOM 13098 H2 TIP3 3727 88.471 35.328 18.725 1.00 0.00 WT1 H ATOM 13099 OH2 TIP3 3728 52.201 33.967 -3.031 1.00 0.00 WT1 O ATOM 13100 H1 TIP3 3728 53.043 33.973 -2.576 1.00 0.00 WT1 H ATOM 13101 H2 TIP3 3728 51.571 34.259 -2.372 1.00 0.00 WT1 H ATOM 13102 OH2 TIP3 3729 39.681 55.715 46.416 1.00 0.00 WT1 O ATOM 13103 H1 TIP3 3729 40.415 56.110 45.945 1.00 0.00 WT1 H ATOM 13104 H2 TIP3 3729 40.078 55.321 47.193 1.00 0.00 WT1 H ATOM 13105 OH2 TIP3 3732 79.336 93.672 -1.277 1.00 0.00 WT1 O ATOM 13106 H1 TIP3 3732 78.556 93.122 -1.208 1.00 0.00 WT1 H ATOM 13107 H2 TIP3 3732 79.070 94.395 -1.845 1.00 0.00 WT1 H ATOM 13108 OH2 TIP3 3735 39.926 42.650 36.193 1.00 0.00 WT1 O ATOM 13109 H1 TIP3 3735 40.746 43.142 36.161 1.00 0.00 WT1 H ATOM 13110 H2 TIP3 3735 40.072 41.983 36.864 1.00 0.00 WT1 H ATOM 13111 OH2 TIP3 3736 39.351 85.045 18.113 1.00 0.00 WT1 O ATOM 13112 H1 TIP3 3736 39.928 85.762 17.852 1.00 0.00 WT1 H ATOM 13113 H2 TIP3 3736 39.226 84.534 17.313 1.00 0.00 WT1 H ATOM 13114 OH2 TIP3 3737 89.335 18.813 -6.392 1.00 0.00 WT1 O ATOM 13115 H1 TIP3 3737 88.448 19.020 -6.097 1.00 0.00 WT1 H ATOM 13116 H2 TIP3 3737 89.894 19.435 -5.926 1.00 0.00 WT1 H ATOM 13117 OH2 TIP3 3738 28.781 4.571 63.643 1.00 0.00 WT1 O ATOM 13118 H1 TIP3 3738 29.473 3.973 63.361 1.00 0.00 WT1 H ATOM 13119 H2 TIP3 3738 29.151 5.444 63.515 1.00 0.00 WT1 H ATOM 13120 OH2 TIP3 3739 53.776 28.321 42.797 1.00 0.00 WT1 O ATOM 13121 H1 TIP3 3739 53.058 28.926 42.613 1.00 0.00 WT1 H ATOM 13122 H2 TIP3 3739 54.060 28.547 43.683 1.00 0.00 WT1 H ATOM 13123 OH2 TIP3 3740 37.266 70.245 24.302 1.00 0.00 WT1 O ATOM 13124 H1 TIP3 3740 38.021 70.602 24.771 1.00 0.00 WT1 H ATOM 13125 H2 TIP3 3740 37.548 69.376 24.019 1.00 0.00 WT1 H ATOM 13126 OH2 TIP3 3741 66.303 72.635 48.411 1.00 0.00 WT1 O ATOM 13127 H1 TIP3 3741 66.377 72.421 49.342 1.00 0.00 WT1 H ATOM 13128 H2 TIP3 3741 66.223 71.786 47.976 1.00 0.00 WT1 H ATOM 13129 OH2 TIP3 3742 61.696 35.794 55.752 1.00 0.00 WT1 O ATOM 13130 H1 TIP3 3742 61.015 36.139 56.329 1.00 0.00 WT1 H ATOM 13131 H2 TIP3 3742 61.221 35.282 55.097 1.00 0.00 WT1 H ATOM 13132 OH2 TIP3 3743 85.031 74.543 -7.837 1.00 0.00 WT1 O ATOM 13133 H1 TIP3 3743 84.112 74.662 -8.079 1.00 0.00 WT1 H ATOM 13134 H2 TIP3 3743 85.378 75.433 -7.770 1.00 0.00 WT1 H ATOM 13135 OH2 TIP3 3744 85.920 63.629 15.622 1.00 0.00 WT1 O ATOM 13136 H1 TIP3 3744 86.664 64.042 15.183 1.00 0.00 WT1 H ATOM 13137 H2 TIP3 3744 85.849 62.766 15.214 1.00 0.00 WT1 H ATOM 13138 OH2 TIP3 3745 31.607 23.135 -19.083 1.00 0.00 WT1 O ATOM 13139 H1 TIP3 3745 31.393 23.193 -18.152 1.00 0.00 WT1 H ATOM 13140 H2 TIP3 3745 30.884 23.580 -19.524 1.00 0.00 WT1 H ATOM 13141 OH2 TIP3 3746 66.277 94.213 59.570 1.00 0.00 WT1 O ATOM 13142 H1 TIP3 3746 67.160 94.556 59.705 1.00 0.00 WT1 H ATOM 13143 H2 TIP3 3746 66.411 93.302 59.307 1.00 0.00 WT1 H ATOM 13144 OH2 TIP3 3747 39.060 63.706 10.543 1.00 0.00 WT1 O ATOM 13145 H1 TIP3 3747 38.989 63.563 11.487 1.00 0.00 WT1 H ATOM 13146 H2 TIP3 3747 40.001 63.692 10.368 1.00 0.00 WT1 H ATOM 13147 OH2 TIP3 3750 76.996 73.613 17.650 1.00 0.00 WT1 O ATOM 13148 H1 TIP3 3750 76.044 73.685 17.583 1.00 0.00 WT1 H ATOM 13149 H2 TIP3 3750 77.297 73.567 16.742 1.00 0.00 WT1 H ATOM 13150 OH2 TIP3 3751 31.801 29.194 -4.085 1.00 0.00 WT1 O ATOM 13151 H1 TIP3 3751 32.221 29.509 -3.285 1.00 0.00 WT1 H ATOM 13152 H2 TIP3 3751 31.981 28.254 -4.097 1.00 0.00 WT1 H ATOM 13153 OH2 TIP3 3752 40.676 13.156 11.495 1.00 0.00 WT1 O ATOM 13154 H1 TIP3 3752 40.342 13.074 10.601 1.00 0.00 WT1 H ATOM 13155 H2 TIP3 3752 41.577 12.836 11.444 1.00 0.00 WT1 H ATOM 13156 OH2 TIP3 3753 73.269 36.103 43.777 1.00 0.00 WT1 O ATOM 13157 H1 TIP3 3753 73.903 36.647 44.245 1.00 0.00 WT1 H ATOM 13158 H2 TIP3 3753 73.582 35.207 43.902 1.00 0.00 WT1 H ATOM 13159 OH2 TIP3 3756 60.343 72.899 43.433 1.00 0.00 WT1 O ATOM 13160 H1 TIP3 3756 59.478 72.605 43.145 1.00 0.00 WT1 H ATOM 13161 H2 TIP3 3756 60.266 73.851 43.489 1.00 0.00 WT1 H ATOM 13162 OH2 TIP3 3757 83.019 43.408 -13.997 1.00 0.00 WT1 O ATOM 13163 H1 TIP3 3757 82.255 43.393 -13.420 1.00 0.00 WT1 H ATOM 13164 H2 TIP3 3757 82.671 43.192 -14.862 1.00 0.00 WT1 H ATOM 13165 OH2 TIP3 3758 66.202 9.429 12.560 1.00 0.00 WT1 O ATOM 13166 H1 TIP3 3758 65.757 8.697 12.132 1.00 0.00 WT1 H ATOM 13167 H2 TIP3 3758 67.134 9.236 12.458 1.00 0.00 WT1 H ATOM 13168 OH2 TIP3 3759 62.483 80.875 -13.243 1.00 0.00 WT1 O ATOM 13169 H1 TIP3 3759 63.000 80.627 -12.476 1.00 0.00 WT1 H ATOM 13170 H2 TIP3 3759 61.577 80.863 -12.935 1.00 0.00 WT1 H ATOM 13171 OH2 TIP3 3760 40.498 28.866 -13.125 1.00 0.00 WT1 O ATOM 13172 H1 TIP3 3760 39.737 28.731 -13.690 1.00 0.00 WT1 H ATOM 13173 H2 TIP3 3760 41.005 29.548 -13.565 1.00 0.00 WT1 H ATOM 13174 OH2 TIP3 3761 31.231 40.211 13.910 1.00 0.00 WT1 O ATOM 13175 H1 TIP3 3761 31.741 40.251 13.101 1.00 0.00 WT1 H ATOM 13176 H2 TIP3 3761 31.875 40.343 14.606 1.00 0.00 WT1 H ATOM 13177 OH2 TIP3 3762 28.011 86.788 -9.436 1.00 0.00 WT1 O ATOM 13178 H1 TIP3 3762 27.675 85.949 -9.751 1.00 0.00 WT1 H ATOM 13179 H2 TIP3 3762 28.760 86.974 -10.002 1.00 0.00 WT1 H ATOM 13180 OH2 TIP3 3763 37.471 85.590 43.084 1.00 0.00 WT1 O ATOM 13181 H1 TIP3 3763 36.944 86.240 43.550 1.00 0.00 WT1 H ATOM 13182 H2 TIP3 3763 37.709 86.020 42.262 1.00 0.00 WT1 H ATOM 13183 OH2 TIP3 3764 45.931 10.615 -5.077 1.00 0.00 WT1 O ATOM 13184 H1 TIP3 3764 45.651 11.496 -5.325 1.00 0.00 WT1 H ATOM 13185 H2 TIP3 3764 45.307 10.345 -4.404 1.00 0.00 WT1 H ATOM 13186 OH2 TIP3 3765 23.863 24.589 -5.773 1.00 0.00 WT1 O ATOM 13187 H1 TIP3 3765 24.817 24.528 -5.721 1.00 0.00 WT1 H ATOM 13188 H2 TIP3 3765 23.699 25.421 -6.216 1.00 0.00 WT1 H ATOM 13189 OH2 TIP3 3768 39.783 65.975 27.811 1.00 0.00 WT1 O ATOM 13190 H1 TIP3 3768 39.738 65.228 27.215 1.00 0.00 WT1 H ATOM 13191 H2 TIP3 3768 40.619 65.869 28.266 1.00 0.00 WT1 H ATOM 13192 OH2 TIP3 3770 54.490 16.150 -1.849 1.00 0.00 WT1 O ATOM 13193 H1 TIP3 3770 54.818 15.504 -2.474 1.00 0.00 WT1 H ATOM 13194 H2 TIP3 3770 53.540 16.037 -1.861 1.00 0.00 WT1 H ATOM 13195 OH2 TIP3 3775 89.448 32.186 63.913 1.00 0.00 WT1 O ATOM 13196 H1 TIP3 3775 89.554 33.130 63.788 1.00 0.00 WT1 H ATOM 13197 H2 TIP3 3775 88.507 32.065 64.038 1.00 0.00 WT1 H ATOM 13198 OH2 TIP3 3776 64.529 56.130 -3.245 1.00 0.00 WT1 O ATOM 13199 H1 TIP3 3776 64.062 55.315 -3.056 1.00 0.00 WT1 H ATOM 13200 H2 TIP3 3776 64.343 56.692 -2.493 1.00 0.00 WT1 H ATOM 13201 OH2 TIP3 3777 59.611 73.833 48.474 1.00 0.00 WT1 O ATOM 13202 H1 TIP3 3777 60.545 74.041 48.454 1.00 0.00 WT1 H ATOM 13203 H2 TIP3 3777 59.556 73.023 48.981 1.00 0.00 WT1 H ATOM 13204 OH2 TIP3 3779 60.258 16.610 61.815 1.00 0.00 WT1 O ATOM 13205 H1 TIP3 3779 60.756 15.966 62.318 1.00 0.00 WT1 H ATOM 13206 H2 TIP3 3779 59.350 16.478 62.087 1.00 0.00 WT1 H ATOM 13207 OH2 TIP3 3780 48.416 51.074 -13.085 1.00 0.00 WT1 O ATOM 13208 H1 TIP3 3780 49.306 51.227 -12.768 1.00 0.00 WT1 H ATOM 13209 H2 TIP3 3780 48.066 51.950 -13.247 1.00 0.00 WT1 H ATOM 13210 OH2 TIP3 3781 28.098 56.543 46.297 1.00 0.00 WT1 O ATOM 13211 H1 TIP3 3781 28.154 55.588 46.261 1.00 0.00 WT1 H ATOM 13212 H2 TIP3 3781 27.568 56.722 47.074 1.00 0.00 WT1 H ATOM 13213 OH2 TIP3 3782 77.091 28.406 16.942 1.00 0.00 WT1 O ATOM 13214 H1 TIP3 3782 76.267 28.113 16.554 1.00 0.00 WT1 H ATOM 13215 H2 TIP3 3782 76.828 28.993 17.651 1.00 0.00 WT1 H ATOM 13216 OH2 TIP3 3783 21.432 30.033 13.572 1.00 0.00 WT1 O ATOM 13217 H1 TIP3 3783 20.622 29.611 13.858 1.00 0.00 WT1 H ATOM 13218 H2 TIP3 3783 22.057 29.853 14.273 1.00 0.00 WT1 H ATOM 13219 OH2 TIP3 3784 81.321 44.783 30.126 1.00 0.00 WT1 O ATOM 13220 H1 TIP3 3784 81.705 45.449 29.555 1.00 0.00 WT1 H ATOM 13221 H2 TIP3 3784 81.512 45.089 31.013 1.00 0.00 WT1 H ATOM 13222 OH2 TIP3 3785 85.114 6.679 -0.710 1.00 0.00 WT1 O ATOM 13223 H1 TIP3 3785 85.686 6.054 -0.265 1.00 0.00 WT1 H ATOM 13224 H2 TIP3 3785 85.034 6.339 -1.601 1.00 0.00 WT1 H ATOM 13225 OH2 TIP3 3786 73.991 6.940 47.101 1.00 0.00 WT1 O ATOM 13226 H1 TIP3 3786 74.454 6.108 47.003 1.00 0.00 WT1 H ATOM 13227 H2 TIP3 3786 73.157 6.704 47.508 1.00 0.00 WT1 H ATOM 13228 OH2 TIP3 3788 61.162 11.870 12.701 1.00 0.00 WT1 O ATOM 13229 H1 TIP3 3788 60.749 12.431 12.045 1.00 0.00 WT1 H ATOM 13230 H2 TIP3 3788 61.813 11.366 12.211 1.00 0.00 WT1 H ATOM 13231 OH2 TIP3 3789 51.678 8.215 60.610 1.00 0.00 WT1 O ATOM 13232 H1 TIP3 3789 51.763 7.628 61.361 1.00 0.00 WT1 H ATOM 13233 H2 TIP3 3789 51.150 7.724 59.980 1.00 0.00 WT1 H ATOM 13234 OH2 TIP3 3790 40.302 23.969 16.157 1.00 0.00 WT1 O ATOM 13235 H1 TIP3 3790 39.706 24.518 16.666 1.00 0.00 WT1 H ATOM 13236 H2 TIP3 3790 40.848 24.591 15.675 1.00 0.00 WT1 H ATOM 13237 OH2 TIP3 3795 84.103 8.483 63.292 1.00 0.00 WT1 O ATOM 13238 H1 TIP3 3795 83.951 9.362 62.943 1.00 0.00 WT1 H ATOM 13239 H2 TIP3 3795 84.680 8.067 62.651 1.00 0.00 WT1 H ATOM 13240 OH2 TIP3 3796 50.967 73.401 24.500 1.00 0.00 WT1 O ATOM 13241 H1 TIP3 3796 51.160 72.809 25.227 1.00 0.00 WT1 H ATOM 13242 H2 TIP3 3796 50.505 72.856 23.863 1.00 0.00 WT1 H ATOM 13243 OH2 TIP3 3797 76.539 24.914 31.213 1.00 0.00 WT1 O ATOM 13244 H1 TIP3 3797 76.838 25.330 30.404 1.00 0.00 WT1 H ATOM 13245 H2 TIP3 3797 75.853 25.495 31.541 1.00 0.00 WT1 H ATOM 13246 OH2 TIP3 3798 66.732 72.278 62.488 1.00 0.00 WT1 O ATOM 13247 H1 TIP3 3798 67.625 72.242 62.833 1.00 0.00 WT1 H ATOM 13248 H2 TIP3 3798 66.836 72.569 61.582 1.00 0.00 WT1 H ATOM 13249 OH2 TIP3 3800 68.098 15.192 49.382 1.00 0.00 WT1 O ATOM 13250 H1 TIP3 3800 68.249 15.321 48.445 1.00 0.00 WT1 H ATOM 13251 H2 TIP3 3800 67.189 14.899 49.440 1.00 0.00 WT1 H ATOM 13252 OH2 TIP3 3801 53.143 22.928 -3.701 1.00 0.00 WT1 O ATOM 13253 H1 TIP3 3801 52.478 22.357 -3.316 1.00 0.00 WT1 H ATOM 13254 H2 TIP3 3801 53.184 23.680 -3.110 1.00 0.00 WT1 H ATOM 13255 OH2 TIP3 3802 62.434 33.313 11.340 1.00 0.00 WT1 O ATOM 13256 H1 TIP3 3802 61.966 34.120 11.553 1.00 0.00 WT1 H ATOM 13257 H2 TIP3 3802 63.062 33.203 12.055 1.00 0.00 WT1 H ATOM 13258 OH2 TIP3 3803 81.138 87.375 24.107 1.00 0.00 WT1 O ATOM 13259 H1 TIP3 3803 81.906 87.366 24.679 1.00 0.00 WT1 H ATOM 13260 H2 TIP3 3803 80.926 86.451 23.975 1.00 0.00 WT1 H ATOM 13261 OH2 TIP3 3804 41.835 58.451 13.777 1.00 0.00 WT1 O ATOM 13262 H1 TIP3 3804 40.917 58.632 13.976 1.00 0.00 WT1 H ATOM 13263 H2 TIP3 3804 42.280 58.509 14.623 1.00 0.00 WT1 H ATOM 13264 OH2 TIP3 3805 65.404 79.624 63.089 1.00 0.00 WT1 O ATOM 13265 H1 TIP3 3805 65.008 80.432 63.416 1.00 0.00 WT1 H ATOM 13266 H2 TIP3 3805 66.010 79.913 62.407 1.00 0.00 WT1 H ATOM 13267 OH2 TIP3 3806 86.739 49.848 -7.353 1.00 0.00 WT1 O ATOM 13268 H1 TIP3 3806 87.129 50.573 -7.841 1.00 0.00 WT1 H ATOM 13269 H2 TIP3 3806 87.377 49.138 -7.427 1.00 0.00 WT1 H ATOM 13270 OH2 TIP3 3807 37.766 33.572 43.196 1.00 0.00 WT1 O ATOM 13271 H1 TIP3 3807 37.352 33.719 42.346 1.00 0.00 WT1 H ATOM 13272 H2 TIP3 3807 38.210 34.397 43.392 1.00 0.00 WT1 H ATOM 13273 OH2 TIP3 3808 47.222 8.749 19.596 1.00 0.00 WT1 O ATOM 13274 H1 TIP3 3808 46.303 8.893 19.822 1.00 0.00 WT1 H ATOM 13275 H2 TIP3 3808 47.202 8.464 18.682 1.00 0.00 WT1 H ATOM 13276 OH2 TIP3 3809 67.440 53.200 34.443 1.00 0.00 WT1 O ATOM 13277 H1 TIP3 3809 66.909 53.041 35.223 1.00 0.00 WT1 H ATOM 13278 H2 TIP3 3809 67.024 53.950 34.018 1.00 0.00 WT1 H ATOM 13279 OH2 TIP3 3810 32.815 44.031 -1.561 1.00 0.00 WT1 O ATOM 13280 H1 TIP3 3810 32.369 44.176 -0.727 1.00 0.00 WT1 H ATOM 13281 H2 TIP3 3810 33.123 44.898 -1.823 1.00 0.00 WT1 H ATOM 13282 OH2 TIP3 3811 66.833 1.165 14.911 1.00 0.00 WT1 O ATOM 13283 H1 TIP3 3811 66.662 1.112 15.851 1.00 0.00 WT1 H ATOM 13284 H2 TIP3 3811 67.787 1.185 14.840 1.00 0.00 WT1 H ATOM 13285 OH2 TIP3 3813 72.096 69.240 1.126 1.00 0.00 WT1 O ATOM 13286 H1 TIP3 3813 72.549 69.525 1.920 1.00 0.00 WT1 H ATOM 13287 H2 TIP3 3813 71.291 69.758 1.111 1.00 0.00 WT1 H ATOM 13288 OH2 TIP3 3818 48.603 14.832 18.076 1.00 0.00 WT1 O ATOM 13289 H1 TIP3 3818 47.989 15.295 17.507 1.00 0.00 WT1 H ATOM 13290 H2 TIP3 3818 49.468 15.099 17.765 1.00 0.00 WT1 H ATOM 13291 OH2 TIP3 3819 87.086 31.671 51.340 1.00 0.00 WT1 O ATOM 13292 H1 TIP3 3819 87.350 31.170 50.568 1.00 0.00 WT1 H ATOM 13293 H2 TIP3 3819 87.609 31.306 52.054 1.00 0.00 WT1 H ATOM 13294 OH2 TIP3 3820 21.422 85.940 0.033 1.00 0.00 WT1 O ATOM 13295 H1 TIP3 3820 21.499 85.927 0.987 1.00 0.00 WT1 H ATOM 13296 H2 TIP3 3820 21.933 86.703 -0.238 1.00 0.00 WT1 H ATOM 13297 OH2 TIP3 3821 39.241 85.870 34.852 1.00 0.00 WT1 O ATOM 13298 H1 TIP3 3821 38.549 85.943 35.510 1.00 0.00 WT1 H ATOM 13299 H2 TIP3 3821 38.902 85.241 34.216 1.00 0.00 WT1 H ATOM 13300 OH2 TIP3 3822 88.776 25.870 9.400 1.00 0.00 WT1 O ATOM 13301 H1 TIP3 3822 88.890 26.146 10.309 1.00 0.00 WT1 H ATOM 13302 H2 TIP3 3822 89.357 26.444 8.900 1.00 0.00 WT1 H ATOM 13303 OH2 TIP3 3823 80.418 30.696 -19.578 1.00 0.00 WT1 O ATOM 13304 H1 TIP3 3823 80.993 30.658 -20.343 1.00 0.00 WT1 H ATOM 13305 H2 TIP3 3823 81.005 30.883 -18.846 1.00 0.00 WT1 H ATOM 13306 OH2 TIP3 3825 34.070 37.422 -5.545 1.00 0.00 WT1 O ATOM 13307 H1 TIP3 3825 34.720 38.067 -5.268 1.00 0.00 WT1 H ATOM 13308 H2 TIP3 3825 34.516 36.904 -6.215 1.00 0.00 WT1 H ATOM 13309 OH2 TIP3 3826 53.509 68.348 -2.667 1.00 0.00 WT1 O ATOM 13310 H1 TIP3 3826 53.889 67.482 -2.522 1.00 0.00 WT1 H ATOM 13311 H2 TIP3 3826 53.807 68.869 -1.922 1.00 0.00 WT1 H ATOM 13312 OH2 TIP3 3827 69.983 25.333 33.074 1.00 0.00 WT1 O ATOM 13313 H1 TIP3 3827 70.635 25.934 32.713 1.00 0.00 WT1 H ATOM 13314 H2 TIP3 3827 69.694 25.751 33.885 1.00 0.00 WT1 H ATOM 13315 OH2 TIP3 3828 84.660 52.963 2.543 1.00 0.00 WT1 O ATOM 13316 H1 TIP3 3828 84.794 53.700 1.947 1.00 0.00 WT1 H ATOM 13317 H2 TIP3 3828 84.906 53.304 3.404 1.00 0.00 WT1 H ATOM 13318 OH2 TIP3 3829 48.982 57.795 2.212 1.00 0.00 WT1 O ATOM 13319 H1 TIP3 3829 49.134 58.306 1.417 1.00 0.00 WT1 H ATOM 13320 H2 TIP3 3829 49.814 57.835 2.684 1.00 0.00 WT1 H ATOM 13321 OH2 TIP3 3830 31.209 64.861 38.879 1.00 0.00 WT1 O ATOM 13322 H1 TIP3 3830 30.805 64.256 38.256 1.00 0.00 WT1 H ATOM 13323 H2 TIP3 3830 31.464 65.616 38.348 1.00 0.00 WT1 H ATOM 13324 OH2 TIP3 3832 41.405 75.866 29.049 1.00 0.00 WT1 O ATOM 13325 H1 TIP3 3832 41.933 75.594 29.799 1.00 0.00 WT1 H ATOM 13326 H2 TIP3 3832 41.916 75.596 28.285 1.00 0.00 WT1 H ATOM 13327 OH2 TIP3 3833 53.319 19.488 19.732 1.00 0.00 WT1 O ATOM 13328 H1 TIP3 3833 52.859 19.527 18.893 1.00 0.00 WT1 H ATOM 13329 H2 TIP3 3833 52.766 19.988 20.332 1.00 0.00 WT1 H ATOM 13330 OH2 TIP3 3836 84.229 88.650 15.532 1.00 0.00 WT1 O ATOM 13331 H1 TIP3 3836 85.102 88.281 15.399 1.00 0.00 WT1 H ATOM 13332 H2 TIP3 3836 83.991 88.386 16.421 1.00 0.00 WT1 H ATOM 13333 OH2 TIP3 3837 58.192 28.611 19.939 1.00 0.00 WT1 O ATOM 13334 H1 TIP3 3837 57.496 28.327 20.532 1.00 0.00 WT1 H ATOM 13335 H2 TIP3 3837 58.300 29.544 20.126 1.00 0.00 WT1 H ATOM 13336 OH2 TIP3 3839 27.608 54.878 51.104 1.00 0.00 WT1 O ATOM 13337 H1 TIP3 3839 27.007 55.219 51.767 1.00 0.00 WT1 H ATOM 13338 H2 TIP3 3839 27.544 53.927 51.188 1.00 0.00 WT1 H ATOM 13339 OH2 TIP3 3841 88.839 35.221 -4.827 1.00 0.00 WT1 O ATOM 13340 H1 TIP3 3841 88.686 34.329 -4.516 1.00 0.00 WT1 H ATOM 13341 H2 TIP3 3841 88.909 35.745 -4.029 1.00 0.00 WT1 H ATOM 13342 OH2 TIP3 3844 86.627 31.931 64.256 1.00 0.00 WT1 O ATOM 13343 H1 TIP3 3844 86.241 31.173 63.815 1.00 0.00 WT1 H ATOM 13344 H2 TIP3 3844 86.015 32.135 64.963 1.00 0.00 WT1 H ATOM 13345 OH2 TIP3 3845 45.102 56.168 0.927 1.00 0.00 WT1 O ATOM 13346 H1 TIP3 3845 44.750 55.331 1.228 1.00 0.00 WT1 H ATOM 13347 H2 TIP3 3845 45.771 56.394 1.574 1.00 0.00 WT1 H ATOM 13348 OH2 TIP3 3846 81.059 33.646 -6.764 1.00 0.00 WT1 O ATOM 13349 H1 TIP3 3846 80.716 33.037 -7.418 1.00 0.00 WT1 H ATOM 13350 H2 TIP3 3846 80.370 33.700 -6.101 1.00 0.00 WT1 H ATOM 13351 OH2 TIP3 3847 87.890 69.128 15.901 1.00 0.00 WT1 O ATOM 13352 H1 TIP3 3847 88.565 69.299 16.558 1.00 0.00 WT1 H ATOM 13353 H2 TIP3 3847 88.236 68.400 15.385 1.00 0.00 WT1 H ATOM 13354 OH2 TIP3 3848 21.902 81.382 30.195 1.00 0.00 WT1 O ATOM 13355 H1 TIP3 3848 22.747 81.039 29.902 1.00 0.00 WT1 H ATOM 13356 H2 TIP3 3848 21.362 81.397 29.405 1.00 0.00 WT1 H ATOM 13357 OH2 TIP3 3849 63.441 17.567 -7.482 1.00 0.00 WT1 O ATOM 13358 H1 TIP3 3849 62.518 17.333 -7.579 1.00 0.00 WT1 H ATOM 13359 H2 TIP3 3849 63.557 18.329 -8.050 1.00 0.00 WT1 H ATOM 13360 OH2 TIP3 3851 43.085 40.862 -5.747 1.00 0.00 WT1 O ATOM 13361 H1 TIP3 3851 43.732 40.444 -5.179 1.00 0.00 WT1 H ATOM 13362 H2 TIP3 3851 42.627 41.478 -5.176 1.00 0.00 WT1 H ATOM 13363 OH2 TIP3 3852 66.366 84.808 26.764 1.00 0.00 WT1 O ATOM 13364 H1 TIP3 3852 66.727 85.593 27.175 1.00 0.00 WT1 H ATOM 13365 H2 TIP3 3852 66.725 84.083 27.275 1.00 0.00 WT1 H ATOM 13366 OH2 TIP3 3853 84.911 23.577 65.903 1.00 0.00 WT1 O ATOM 13367 H1 TIP3 3853 84.491 22.886 66.415 1.00 0.00 WT1 H ATOM 13368 H2 TIP3 3853 84.702 23.363 64.994 1.00 0.00 WT1 H ATOM 13369 OH2 TIP3 3854 64.642 52.668 9.479 1.00 0.00 WT1 O ATOM 13370 H1 TIP3 3854 63.708 52.842 9.595 1.00 0.00 WT1 H ATOM 13371 H2 TIP3 3854 64.730 51.725 9.621 1.00 0.00 WT1 H ATOM 13372 OH2 TIP3 3856 31.262 43.055 66.131 1.00 0.00 WT1 O ATOM 13373 H1 TIP3 3856 31.124 43.896 66.567 1.00 0.00 WT1 H ATOM 13374 H2 TIP3 3856 30.555 42.498 66.456 1.00 0.00 WT1 H ATOM 13375 OH2 TIP3 3860 21.677 20.780 -8.069 1.00 0.00 WT1 O ATOM 13376 H1 TIP3 3860 22.357 21.116 -7.486 1.00 0.00 WT1 H ATOM 13377 H2 TIP3 3860 20.880 21.233 -7.795 1.00 0.00 WT1 H ATOM 13378 OH2 TIP3 3863 85.510 63.765 64.166 1.00 0.00 WT1 O ATOM 13379 H1 TIP3 3863 86.209 63.685 64.816 1.00 0.00 WT1 H ATOM 13380 H2 TIP3 3863 85.934 63.562 63.332 1.00 0.00 WT1 H ATOM 13381 OH2 TIP3 3865 47.358 55.007 -3.589 1.00 0.00 WT1 O ATOM 13382 H1 TIP3 3865 47.505 55.327 -2.699 1.00 0.00 WT1 H ATOM 13383 H2 TIP3 3865 46.478 54.630 -3.566 1.00 0.00 WT1 H ATOM 13384 OH2 TIP3 3866 86.017 61.141 54.352 1.00 0.00 WT1 O ATOM 13385 H1 TIP3 3866 85.652 60.591 55.045 1.00 0.00 WT1 H ATOM 13386 H2 TIP3 3866 85.523 60.900 53.569 1.00 0.00 WT1 H ATOM 13387 OH2 TIP3 3867 39.032 27.028 15.716 1.00 0.00 WT1 O ATOM 13388 H1 TIP3 3867 39.755 26.852 16.318 1.00 0.00 WT1 H ATOM 13389 H2 TIP3 3867 38.349 26.408 15.973 1.00 0.00 WT1 H ATOM 13390 OH2 TIP3 3868 74.557 71.476 -2.575 1.00 0.00 WT1 O ATOM 13391 H1 TIP3 3868 74.015 71.827 -1.868 1.00 0.00 WT1 H ATOM 13392 H2 TIP3 3868 74.936 70.675 -2.212 1.00 0.00 WT1 H ATOM 13393 OH2 TIP3 3869 80.415 35.814 62.847 1.00 0.00 WT1 O ATOM 13394 H1 TIP3 3869 79.842 35.876 62.082 1.00 0.00 WT1 H ATOM 13395 H2 TIP3 3869 81.300 35.887 62.490 1.00 0.00 WT1 H ATOM 13396 OH2 TIP3 3870 22.444 48.780 -9.020 1.00 0.00 WT1 O ATOM 13397 H1 TIP3 3870 21.884 48.174 -9.506 1.00 0.00 WT1 H ATOM 13398 H2 TIP3 3870 23.228 48.270 -8.815 1.00 0.00 WT1 H ATOM 13399 OH2 TIP3 3871 70.467 84.693 4.617 1.00 0.00 WT1 O ATOM 13400 H1 TIP3 3871 70.028 84.308 3.858 1.00 0.00 WT1 H ATOM 13401 H2 TIP3 3871 69.823 84.634 5.322 1.00 0.00 WT1 H ATOM 13402 OH2 TIP3 3873 44.097 42.334 7.342 1.00 0.00 WT1 O ATOM 13403 H1 TIP3 3873 44.701 42.164 8.064 1.00 0.00 WT1 H ATOM 13404 H2 TIP3 3873 43.875 41.465 7.006 1.00 0.00 WT1 H ATOM 13405 OH2 TIP3 3875 64.296 53.827 18.647 1.00 0.00 WT1 O ATOM 13406 H1 TIP3 3875 64.001 53.316 19.401 1.00 0.00 WT1 H ATOM 13407 H2 TIP3 3875 63.488 54.091 18.205 1.00 0.00 WT1 H ATOM 13408 OH2 TIP3 3877 75.850 64.210 -3.539 1.00 0.00 WT1 O ATOM 13409 H1 TIP3 3877 75.304 63.426 -3.592 1.00 0.00 WT1 H ATOM 13410 H2 TIP3 3877 75.282 64.919 -3.839 1.00 0.00 WT1 H ATOM 13411 OH2 TIP3 3882 40.843 63.768 -7.391 1.00 0.00 WT1 O ATOM 13412 H1 TIP3 3882 41.044 63.772 -6.455 1.00 0.00 WT1 H ATOM 13413 H2 TIP3 3882 40.055 63.230 -7.465 1.00 0.00 WT1 H ATOM 13414 OH2 TIP3 3883 57.939 90.310 -14.124 1.00 0.00 WT1 O ATOM 13415 H1 TIP3 3883 57.045 90.330 -13.784 1.00 0.00 WT1 H ATOM 13416 H2 TIP3 3883 57.898 89.717 -14.874 1.00 0.00 WT1 H ATOM 13417 OH2 TIP3 3885 49.741 17.582 53.328 1.00 0.00 WT1 O ATOM 13418 H1 TIP3 3885 49.775 17.334 54.251 1.00 0.00 WT1 H ATOM 13419 H2 TIP3 3885 49.152 16.942 52.928 1.00 0.00 WT1 H ATOM 13420 OH2 TIP3 3886 57.643 27.187 -5.790 1.00 0.00 WT1 O ATOM 13421 H1 TIP3 3886 56.759 27.408 -6.083 1.00 0.00 WT1 H ATOM 13422 H2 TIP3 3886 57.537 26.370 -5.303 1.00 0.00 WT1 H ATOM 13423 OH2 TIP3 3888 58.488 45.495 -4.733 1.00 0.00 WT1 O ATOM 13424 H1 TIP3 3888 59.286 44.967 -4.716 1.00 0.00 WT1 H ATOM 13425 H2 TIP3 3888 58.499 45.974 -3.904 1.00 0.00 WT1 H ATOM 13426 OH2 TIP3 3889 25.861 89.813 -3.256 1.00 0.00 WT1 O ATOM 13427 H1 TIP3 3889 25.825 89.723 -2.304 1.00 0.00 WT1 H ATOM 13428 H2 TIP3 3889 26.660 89.352 -3.511 1.00 0.00 WT1 H ATOM 13429 OH2 TIP3 3890 88.404 46.905 9.092 1.00 0.00 WT1 O ATOM 13430 H1 TIP3 3890 87.615 46.747 9.611 1.00 0.00 WT1 H ATOM 13431 H2 TIP3 3890 88.364 46.254 8.392 1.00 0.00 WT1 H ATOM 13432 OH2 TIP3 3891 67.228 72.122 -14.209 1.00 0.00 WT1 O ATOM 13433 H1 TIP3 3891 67.685 71.710 -14.942 1.00 0.00 WT1 H ATOM 13434 H2 TIP3 3891 66.752 72.853 -14.603 1.00 0.00 WT1 H ATOM 13435 OH2 TIP3 3892 53.146 29.569 14.298 1.00 0.00 WT1 O ATOM 13436 H1 TIP3 3892 52.581 29.205 14.979 1.00 0.00 WT1 H ATOM 13437 H2 TIP3 3892 52.577 30.159 13.803 1.00 0.00 WT1 H ATOM 13438 OH2 TIP3 3896 85.321 74.577 49.987 1.00 0.00 WT1 O ATOM 13439 H1 TIP3 3896 84.644 73.967 49.695 1.00 0.00 WT1 H ATOM 13440 H2 TIP3 3896 85.434 75.180 49.253 1.00 0.00 WT1 H ATOM 13441 OH2 TIP3 3898 71.744 44.236 -12.381 1.00 0.00 WT1 O ATOM 13442 H1 TIP3 3898 72.028 45.044 -11.954 1.00 0.00 WT1 H ATOM 13443 H2 TIP3 3898 71.207 43.793 -11.724 1.00 0.00 WT1 H ATOM 13444 OH2 TIP3 3899 32.909 30.004 -1.733 1.00 0.00 WT1 O ATOM 13445 H1 TIP3 3899 33.827 29.791 -1.564 1.00 0.00 WT1 H ATOM 13446 H2 TIP3 3899 32.649 30.548 -0.990 1.00 0.00 WT1 H ATOM 13447 OH2 TIP3 3900 47.525 37.266 28.692 1.00 0.00 WT1 O ATOM 13448 H1 TIP3 3900 46.781 36.800 28.312 1.00 0.00 WT1 H ATOM 13449 H2 TIP3 3900 48.229 37.156 28.053 1.00 0.00 WT1 H ATOM 13450 OH2 TIP3 3903 82.481 86.640 2.523 1.00 0.00 WT1 O ATOM 13451 H1 TIP3 3903 83.045 86.060 2.011 1.00 0.00 WT1 H ATOM 13452 H2 TIP3 3903 82.407 86.210 3.375 1.00 0.00 WT1 H ATOM 13453 OH2 TIP3 3906 71.122 86.842 56.982 1.00 0.00 WT1 O ATOM 13454 H1 TIP3 3906 70.292 86.580 57.381 1.00 0.00 WT1 H ATOM 13455 H2 TIP3 3906 71.094 86.469 56.101 1.00 0.00 WT1 H ATOM 13456 OH2 TIP3 3907 27.226 58.075 2.201 1.00 0.00 WT1 O ATOM 13457 H1 TIP3 3907 27.382 57.183 2.513 1.00 0.00 WT1 H ATOM 13458 H2 TIP3 3907 27.304 58.620 2.984 1.00 0.00 WT1 H ATOM 13459 OH2 TIP3 3908 30.805 35.596 16.018 1.00 0.00 WT1 O ATOM 13460 H1 TIP3 3908 31.464 35.552 16.711 1.00 0.00 WT1 H ATOM 13461 H2 TIP3 3908 30.601 36.528 15.939 1.00 0.00 WT1 H ATOM 13462 OH2 TIP3 3909 24.535 21.584 -16.846 1.00 0.00 WT1 O ATOM 13463 H1 TIP3 3909 24.819 20.777 -17.275 1.00 0.00 WT1 H ATOM 13464 H2 TIP3 3909 24.142 22.104 -17.548 1.00 0.00 WT1 H ATOM 13465 OH2 TIP3 3910 26.719 26.162 44.050 1.00 0.00 WT1 O ATOM 13466 H1 TIP3 3910 27.396 26.260 44.720 1.00 0.00 WT1 H ATOM 13467 H2 TIP3 3910 26.743 25.233 43.818 1.00 0.00 WT1 H ATOM 13468 OH2 TIP3 3912 54.386 22.600 7.169 1.00 0.00 WT1 O ATOM 13469 H1 TIP3 3912 54.103 23.219 7.842 1.00 0.00 WT1 H ATOM 13470 H2 TIP3 3912 55.198 22.974 6.826 1.00 0.00 WT1 H ATOM 13471 OH2 TIP3 3913 89.100 57.303 -12.139 1.00 0.00 WT1 O ATOM 13472 H1 TIP3 3913 88.926 56.942 -13.008 1.00 0.00 WT1 H ATOM 13473 H2 TIP3 3913 90.022 57.559 -12.166 1.00 0.00 WT1 H ATOM 13474 OH2 TIP3 3916 83.543 62.076 11.730 1.00 0.00 WT1 O ATOM 13475 H1 TIP3 3916 83.026 61.281 11.602 1.00 0.00 WT1 H ATOM 13476 H2 TIP3 3916 82.893 62.770 11.840 1.00 0.00 WT1 H ATOM 13477 OH2 TIP3 3918 72.600 86.826 -14.301 1.00 0.00 WT1 O ATOM 13478 H1 TIP3 3918 72.436 87.656 -14.749 1.00 0.00 WT1 H ATOM 13479 H2 TIP3 3918 71.834 86.289 -14.503 1.00 0.00 WT1 H ATOM 13480 OH2 TIP3 3919 48.390 5.237 -4.791 1.00 0.00 WT1 O ATOM 13481 H1 TIP3 3919 49.028 5.935 -4.945 1.00 0.00 WT1 H ATOM 13482 H2 TIP3 3919 48.124 5.352 -3.879 1.00 0.00 WT1 H ATOM 13483 OH2 TIP3 3924 60.679 36.778 3.533 1.00 0.00 WT1 O ATOM 13484 H1 TIP3 3924 60.998 37.598 3.912 1.00 0.00 WT1 H ATOM 13485 H2 TIP3 3924 59.783 36.697 3.859 1.00 0.00 WT1 H ATOM 13486 OH2 TIP3 3925 30.747 8.612 41.893 1.00 0.00 WT1 O ATOM 13487 H1 TIP3 3925 30.742 7.702 41.596 1.00 0.00 WT1 H ATOM 13488 H2 TIP3 3925 30.120 9.054 41.321 1.00 0.00 WT1 H ATOM 13489 OH2 TIP3 3926 24.339 15.397 31.592 1.00 0.00 WT1 O ATOM 13490 H1 TIP3 3926 23.434 15.106 31.709 1.00 0.00 WT1 H ATOM 13491 H2 TIP3 3926 24.847 14.587 31.549 1.00 0.00 WT1 H ATOM 13492 OH2 TIP3 3928 30.050 66.223 -3.420 1.00 0.00 WT1 O ATOM 13493 H1 TIP3 3928 30.265 66.591 -2.563 1.00 0.00 WT1 H ATOM 13494 H2 TIP3 3928 29.423 66.841 -3.796 1.00 0.00 WT1 H ATOM 13495 OH2 TIP3 3929 23.778 36.426 -18.196 1.00 0.00 WT1 O ATOM 13496 H1 TIP3 3929 24.621 36.107 -17.873 1.00 0.00 WT1 H ATOM 13497 H2 TIP3 3929 23.959 36.716 -19.091 1.00 0.00 WT1 H ATOM 13498 OH2 TIP3 3930 33.138 90.528 21.327 1.00 0.00 WT1 O ATOM 13499 H1 TIP3 3930 32.784 91.316 21.740 1.00 0.00 WT1 H ATOM 13500 H2 TIP3 3930 32.831 90.574 20.421 1.00 0.00 WT1 H ATOM 13501 OH2 TIP3 3931 39.384 0.911 41.005 1.00 0.00 WT1 O ATOM 13502 H1 TIP3 3931 38.995 1.669 41.442 1.00 0.00 WT1 H ATOM 13503 H2 TIP3 3931 39.862 0.455 41.698 1.00 0.00 WT1 H ATOM 13504 OH2 TIP3 3932 33.740 50.123 18.646 1.00 0.00 WT1 O ATOM 13505 H1 TIP3 3932 34.481 49.556 18.429 1.00 0.00 WT1 H ATOM 13506 H2 TIP3 3932 34.111 51.004 18.671 1.00 0.00 WT1 H ATOM 13507 OH2 TIP3 3933 49.157 46.178 -18.748 1.00 0.00 WT1 O ATOM 13508 H1 TIP3 3933 49.758 45.615 -19.236 1.00 0.00 WT1 H ATOM 13509 H2 TIP3 3933 49.537 46.232 -17.871 1.00 0.00 WT1 H ATOM 13510 OH2 TIP3 3934 71.383 23.845 64.634 1.00 0.00 WT1 O ATOM 13511 H1 TIP3 3934 71.828 24.533 64.140 1.00 0.00 WT1 H ATOM 13512 H2 TIP3 3934 71.994 23.109 64.625 1.00 0.00 WT1 H ATOM 13513 OH2 TIP3 3935 21.288 1.667 58.441 1.00 0.00 WT1 O ATOM 13514 H1 TIP3 3935 21.514 2.536 58.772 1.00 0.00 WT1 H ATOM 13515 H2 TIP3 3935 21.495 1.704 57.508 1.00 0.00 WT1 H ATOM 13516 OH2 TIP3 3938 60.453 95.390 17.384 1.00 0.00 WT1 O ATOM 13517 H1 TIP3 3938 60.346 94.511 17.747 1.00 0.00 WT1 H ATOM 13518 H2 TIP3 3938 59.815 95.435 16.672 1.00 0.00 WT1 H ATOM 13519 OH2 TIP3 3943 49.609 20.878 50.540 1.00 0.00 WT1 O ATOM 13520 H1 TIP3 3943 49.355 21.562 51.160 1.00 0.00 WT1 H ATOM 13521 H2 TIP3 3943 48.793 20.634 50.104 1.00 0.00 WT1 H ATOM 13522 OH2 TIP3 3949 21.854 57.121 42.744 1.00 0.00 WT1 O ATOM 13523 H1 TIP3 3949 21.877 57.943 42.254 1.00 0.00 WT1 H ATOM 13524 H2 TIP3 3949 21.818 57.390 43.662 1.00 0.00 WT1 H ATOM 13525 OH2 TIP3 3950 61.566 76.450 38.218 1.00 0.00 WT1 O ATOM 13526 H1 TIP3 3950 60.788 76.410 38.774 1.00 0.00 WT1 H ATOM 13527 H2 TIP3 3950 61.236 76.302 37.332 1.00 0.00 WT1 H ATOM 13528 OH2 TIP3 3951 78.957 7.349 67.143 1.00 0.00 WT1 O ATOM 13529 H1 TIP3 3951 79.173 6.739 66.438 1.00 0.00 WT1 H ATOM 13530 H2 TIP3 3951 79.806 7.619 67.494 1.00 0.00 WT1 H ATOM 13531 OH2 TIP3 3953 65.579 90.430 36.919 1.00 0.00 WT1 O ATOM 13532 H1 TIP3 3953 65.798 91.357 37.014 1.00 0.00 WT1 H ATOM 13533 H2 TIP3 3953 64.661 90.428 36.647 1.00 0.00 WT1 H ATOM 13534 OH2 TIP3 3954 55.999 55.278 22.777 1.00 0.00 WT1 O ATOM 13535 H1 TIP3 3954 55.944 56.195 22.506 1.00 0.00 WT1 H ATOM 13536 H2 TIP3 3954 56.424 55.307 23.635 1.00 0.00 WT1 H ATOM 13537 OH2 TIP3 3955 39.688 85.839 57.433 1.00 0.00 WT1 O ATOM 13538 H1 TIP3 3955 40.204 85.039 57.534 1.00 0.00 WT1 H ATOM 13539 H2 TIP3 3955 38.781 85.535 57.392 1.00 0.00 WT1 H ATOM 13540 OH2 TIP3 3956 72.643 88.540 10.890 1.00 0.00 WT1 O ATOM 13541 H1 TIP3 3956 73.193 88.126 10.226 1.00 0.00 WT1 H ATOM 13542 H2 TIP3 3956 72.228 87.809 11.348 1.00 0.00 WT1 H ATOM 13543 OH2 TIP3 3957 68.179 94.491 35.855 1.00 0.00 WT1 O ATOM 13544 H1 TIP3 3957 68.662 94.147 36.607 1.00 0.00 WT1 H ATOM 13545 H2 TIP3 3957 67.504 95.051 36.239 1.00 0.00 WT1 H ATOM 13546 OH2 TIP3 3962 45.599 36.014 34.946 1.00 0.00 WT1 O ATOM 13547 H1 TIP3 3962 46.472 35.822 34.605 1.00 0.00 WT1 H ATOM 13548 H2 TIP3 3962 45.096 36.289 34.179 1.00 0.00 WT1 H ATOM 13549 OH2 TIP3 3964 23.841 92.083 8.253 1.00 0.00 WT1 O ATOM 13550 H1 TIP3 3964 23.020 92.574 8.206 1.00 0.00 WT1 H ATOM 13551 H2 TIP3 3964 23.583 91.215 8.565 1.00 0.00 WT1 H ATOM 13552 OH2 TIP3 3965 27.014 18.678 -0.692 1.00 0.00 WT1 O ATOM 13553 H1 TIP3 3965 26.864 19.606 -0.510 1.00 0.00 WT1 H ATOM 13554 H2 TIP3 3965 27.946 18.547 -0.521 1.00 0.00 WT1 H ATOM 13555 OH2 TIP3 3966 25.453 42.192 31.933 1.00 0.00 WT1 O ATOM 13556 H1 TIP3 3966 24.937 42.697 31.305 1.00 0.00 WT1 H ATOM 13557 H2 TIP3 3966 26.362 42.414 31.731 1.00 0.00 WT1 H ATOM 13558 OH2 TIP3 3967 24.621 58.748 21.879 1.00 0.00 WT1 O ATOM 13559 H1 TIP3 3967 25.018 58.389 21.085 1.00 0.00 WT1 H ATOM 13560 H2 TIP3 3967 25.083 59.573 22.026 1.00 0.00 WT1 H ATOM 13561 OH2 TIP3 3968 25.124 35.648 30.042 1.00 0.00 WT1 O ATOM 13562 H1 TIP3 3968 25.319 35.549 30.974 1.00 0.00 WT1 H ATOM 13563 H2 TIP3 3968 25.088 36.594 29.903 1.00 0.00 WT1 H ATOM 13564 OH2 TIP3 3971 33.097 86.719 49.863 1.00 0.00 WT1 O ATOM 13565 H1 TIP3 3971 33.689 85.971 49.779 1.00 0.00 WT1 H ATOM 13566 H2 TIP3 3971 32.261 86.334 50.128 1.00 0.00 WT1 H ATOM 13567 OH2 TIP3 3972 21.815 71.610 11.646 1.00 0.00 WT1 O ATOM 13568 H1 TIP3 3972 21.908 71.544 10.696 1.00 0.00 WT1 H ATOM 13569 H2 TIP3 3972 22.310 70.866 11.988 1.00 0.00 WT1 H ATOM 13570 OH2 TIP3 3973 54.981 70.125 45.119 1.00 0.00 WT1 O ATOM 13571 H1 TIP3 3973 55.073 69.922 44.188 1.00 0.00 WT1 H ATOM 13572 H2 TIP3 3973 54.041 70.259 45.244 1.00 0.00 WT1 H ATOM 13573 OH2 TIP3 3974 43.798 9.892 -3.469 1.00 0.00 WT1 O ATOM 13574 H1 TIP3 3974 43.751 9.446 -2.623 1.00 0.00 WT1 H ATOM 13575 H2 TIP3 3974 43.093 10.538 -3.439 1.00 0.00 WT1 H ATOM 13576 OH2 TIP3 3975 29.120 92.381 60.735 1.00 0.00 WT1 O ATOM 13577 H1 TIP3 3975 29.051 93.070 61.396 1.00 0.00 WT1 H ATOM 13578 H2 TIP3 3975 28.260 91.960 60.738 1.00 0.00 WT1 H ATOM 13579 OH2 TIP3 3976 29.304 92.469 18.600 1.00 0.00 WT1 O ATOM 13580 H1 TIP3 3976 29.716 92.984 17.906 1.00 0.00 WT1 H ATOM 13581 H2 TIP3 3976 29.295 91.574 18.261 1.00 0.00 WT1 H ATOM 13582 OH2 TIP3 3977 57.696 72.205 4.385 1.00 0.00 WT1 O ATOM 13583 H1 TIP3 3977 58.564 71.924 4.675 1.00 0.00 WT1 H ATOM 13584 H2 TIP3 3977 57.352 72.716 5.117 1.00 0.00 WT1 H ATOM 13585 OH2 TIP3 3978 77.824 29.163 50.897 1.00 0.00 WT1 O ATOM 13586 H1 TIP3 3978 77.661 28.919 51.808 1.00 0.00 WT1 H ATOM 13587 H2 TIP3 3978 78.490 28.544 50.598 1.00 0.00 WT1 H ATOM 13588 OH2 TIP3 3982 20.559 81.193 56.153 1.00 0.00 WT1 O ATOM 13589 H1 TIP3 3982 21.381 81.673 56.048 1.00 0.00 WT1 H ATOM 13590 H2 TIP3 3982 20.264 81.414 57.036 1.00 0.00 WT1 H ATOM 13591 OH2 TIP3 3983 45.890 7.971 17.331 1.00 0.00 WT1 O ATOM 13592 H1 TIP3 3983 45.175 7.649 17.880 1.00 0.00 WT1 H ATOM 13593 H2 TIP3 3983 45.895 8.917 17.474 1.00 0.00 WT1 H ATOM 13594 OH2 TIP3 3985 24.839 27.267 62.685 1.00 0.00 WT1 O ATOM 13595 H1 TIP3 3985 24.033 27.477 63.158 1.00 0.00 WT1 H ATOM 13596 H2 TIP3 3985 25.447 27.966 62.926 1.00 0.00 WT1 H ATOM 13597 OH2 TIP3 3986 40.711 20.632 -12.377 1.00 0.00 WT1 O ATOM 13598 H1 TIP3 3986 40.825 21.001 -13.253 1.00 0.00 WT1 H ATOM 13599 H2 TIP3 3986 39.774 20.442 -12.317 1.00 0.00 WT1 H ATOM 13600 OH2 TIP3 3988 73.902 54.022 50.625 1.00 0.00 WT1 O ATOM 13601 H1 TIP3 3988 73.958 54.742 49.996 1.00 0.00 WT1 H ATOM 13602 H2 TIP3 3988 73.002 54.055 50.949 1.00 0.00 WT1 H ATOM 13603 OH2 TIP3 3989 30.991 25.278 21.322 1.00 0.00 WT1 O ATOM 13604 H1 TIP3 3989 31.170 26.196 21.523 1.00 0.00 WT1 H ATOM 13605 H2 TIP3 3989 31.762 24.983 20.837 1.00 0.00 WT1 H ATOM 13606 OH2 TIP3 3990 35.180 46.792 4.999 1.00 0.00 WT1 O ATOM 13607 H1 TIP3 3990 35.560 46.803 4.121 1.00 0.00 WT1 H ATOM 13608 H2 TIP3 3990 35.907 46.551 5.573 1.00 0.00 WT1 H ATOM 13609 OH2 TIP3 3991 78.279 10.135 -6.309 1.00 0.00 WT1 O ATOM 13610 H1 TIP3 3991 78.859 10.517 -5.650 1.00 0.00 WT1 H ATOM 13611 H2 TIP3 3991 77.471 10.643 -6.241 1.00 0.00 WT1 H ATOM 13612 OH2 TIP3 3992 49.709 2.259 -4.242 1.00 0.00 WT1 O ATOM 13613 H1 TIP3 3992 49.118 1.628 -3.829 1.00 0.00 WT1 H ATOM 13614 H2 TIP3 3992 50.568 1.839 -4.210 1.00 0.00 WT1 H ATOM 13615 OH2 TIP3 3993 31.874 3.227 39.268 1.00 0.00 WT1 O ATOM 13616 H1 TIP3 3993 32.696 3.691 39.108 1.00 0.00 WT1 H ATOM 13617 H2 TIP3 3993 31.400 3.285 38.439 1.00 0.00 WT1 H ATOM 13618 OH2 TIP3 3995 56.556 7.556 45.838 1.00 0.00 WT1 O ATOM 13619 H1 TIP3 3995 56.924 8.335 46.254 1.00 0.00 WT1 H ATOM 13620 H2 TIP3 3995 56.202 7.041 46.563 1.00 0.00 WT1 H ATOM 13621 OH2 TIP3 3996 55.984 60.749 -15.232 1.00 0.00 WT1 O ATOM 13622 H1 TIP3 3996 55.164 61.026 -14.823 1.00 0.00 WT1 H ATOM 13623 H2 TIP3 3996 56.399 60.185 -14.580 1.00 0.00 WT1 H ATOM 13624 OH2 TIP3 3997 43.853 96.112 4.792 1.00 0.00 WT1 O ATOM 13625 H1 TIP3 3997 44.585 96.290 5.382 1.00 0.00 WT1 H ATOM 13626 H2 TIP3 3997 43.839 95.159 4.707 1.00 0.00 WT1 H ATOM 13627 OH2 TIP3 3998 77.607 5.026 1.580 1.00 0.00 WT1 O ATOM 13628 H1 TIP3 3998 77.664 4.319 2.223 1.00 0.00 WT1 H ATOM 13629 H2 TIP3 3998 77.613 5.827 2.104 1.00 0.00 WT1 H ATOM 13630 OH2 TIP3 3999 20.966 34.165 43.596 1.00 0.00 WT1 O ATOM 13631 H1 TIP3 3999 20.149 34.199 44.094 1.00 0.00 WT1 H ATOM 13632 H2 TIP3 3999 20.908 33.351 43.096 1.00 0.00 WT1 H ATOM 13633 OH2 TIP3 4000 21.499 26.417 4.164 1.00 0.00 WT1 O ATOM 13634 H1 TIP3 4000 21.951 26.232 4.987 1.00 0.00 WT1 H ATOM 13635 H2 TIP3 4000 20.603 26.633 4.426 1.00 0.00 WT1 H ATOM 13636 OH2 TIP3 4002 63.756 91.705 9.799 1.00 0.00 WT1 O ATOM 13637 H1 TIP3 4002 64.684 91.560 9.987 1.00 0.00 WT1 H ATOM 13638 H2 TIP3 4002 63.432 90.850 9.515 1.00 0.00 WT1 H ATOM 13639 OH2 TIP3 4004 43.840 94.671 -3.293 1.00 0.00 WT1 O ATOM 13640 H1 TIP3 4004 43.862 94.103 -4.063 1.00 0.00 WT1 H ATOM 13641 H2 TIP3 4004 44.486 94.292 -2.696 1.00 0.00 WT1 H ATOM 13642 OH2 TIP3 4005 24.208 74.665 29.799 1.00 0.00 WT1 O ATOM 13643 H1 TIP3 4005 24.029 74.266 30.651 1.00 0.00 WT1 H ATOM 13644 H2 TIP3 4005 23.849 74.046 29.164 1.00 0.00 WT1 H ATOM 13645 OH2 TIP3 4006 71.571 6.518 1.803 1.00 0.00 WT1 O ATOM 13646 H1 TIP3 4006 72.161 6.462 1.052 1.00 0.00 WT1 H ATOM 13647 H2 TIP3 4006 71.915 7.243 2.325 1.00 0.00 WT1 H ATOM 13648 OH2 TIP3 4007 69.833 91.936 -14.849 1.00 0.00 WT1 O ATOM 13649 H1 TIP3 4007 70.592 92.436 -14.549 1.00 0.00 WT1 H ATOM 13650 H2 TIP3 4007 69.682 91.291 -14.158 1.00 0.00 WT1 H ATOM 13651 OH2 TIP3 4008 55.864 32.144 54.521 1.00 0.00 WT1 O ATOM 13652 H1 TIP3 4008 55.855 32.406 53.601 1.00 0.00 WT1 H ATOM 13653 H2 TIP3 4008 55.030 31.692 54.650 1.00 0.00 WT1 H ATOM 13654 OH2 TIP3 4009 48.385 25.078 -18.991 1.00 0.00 WT1 O ATOM 13655 H1 TIP3 4009 48.779 25.591 -18.286 1.00 0.00 WT1 H ATOM 13656 H2 TIP3 4009 47.853 25.707 -19.477 1.00 0.00 WT1 H ATOM 13657 OH2 TIP3 4010 56.094 4.017 27.057 1.00 0.00 WT1 O ATOM 13658 H1 TIP3 4010 55.173 3.884 27.283 1.00 0.00 WT1 H ATOM 13659 H2 TIP3 4010 56.525 4.184 27.896 1.00 0.00 WT1 H ATOM 13660 OH2 TIP3 4011 29.539 45.197 -19.625 1.00 0.00 WT1 O ATOM 13661 H1 TIP3 4011 30.134 45.942 -19.705 1.00 0.00 WT1 H ATOM 13662 H2 TIP3 4011 28.954 45.433 -18.905 1.00 0.00 WT1 H ATOM 13663 OH2 TIP3 4012 40.247 14.361 31.029 1.00 0.00 WT1 O ATOM 13664 H1 TIP3 4012 40.689 15.210 31.049 1.00 0.00 WT1 H ATOM 13665 H2 TIP3 4012 39.485 14.474 31.596 1.00 0.00 WT1 H ATOM 13666 OH2 TIP3 4013 57.773 85.245 26.348 1.00 0.00 WT1 O ATOM 13667 H1 TIP3 4013 58.560 84.771 26.080 1.00 0.00 WT1 H ATOM 13668 H2 TIP3 4013 58.041 86.163 26.370 1.00 0.00 WT1 H ATOM 13669 OH2 TIP3 4014 74.872 1.668 -1.484 1.00 0.00 WT1 O ATOM 13670 H1 TIP3 4014 74.783 1.967 -2.389 1.00 0.00 WT1 H ATOM 13671 H2 TIP3 4014 74.741 2.456 -0.957 1.00 0.00 WT1 H ATOM 13672 OH2 TIP3 4015 81.027 65.075 60.586 1.00 0.00 WT1 O ATOM 13673 H1 TIP3 4015 80.789 64.420 61.243 1.00 0.00 WT1 H ATOM 13674 H2 TIP3 4015 81.421 64.570 59.875 1.00 0.00 WT1 H ATOM 13675 OH2 TIP3 4016 76.403 9.732 64.321 1.00 0.00 WT1 O ATOM 13676 H1 TIP3 4016 75.535 10.058 64.083 1.00 0.00 WT1 H ATOM 13677 H2 TIP3 4016 76.229 8.979 64.887 1.00 0.00 WT1 H ATOM 13678 OH2 TIP3 4017 33.862 30.262 41.755 1.00 0.00 WT1 O ATOM 13679 H1 TIP3 4017 34.699 29.798 41.761 1.00 0.00 WT1 H ATOM 13680 H2 TIP3 4017 33.720 30.489 40.836 1.00 0.00 WT1 H ATOM 13681 OH2 TIP3 4018 40.164 27.607 21.810 1.00 0.00 WT1 O ATOM 13682 H1 TIP3 4018 39.245 27.523 21.555 1.00 0.00 WT1 H ATOM 13683 H2 TIP3 4018 40.386 26.757 22.191 1.00 0.00 WT1 H ATOM 13684 OH2 TIP3 4019 65.205 0.157 64.668 1.00 0.00 WT1 O ATOM 13685 H1 TIP3 4019 64.494 0.788 64.780 1.00 0.00 WT1 H ATOM 13686 H2 TIP3 4019 64.864 -0.481 64.041 1.00 0.00 WT1 H ATOM 13687 OH2 TIP3 4020 50.230 94.547 29.148 1.00 0.00 WT1 O ATOM 13688 H1 TIP3 4020 50.721 95.151 28.590 1.00 0.00 WT1 H ATOM 13689 H2 TIP3 4020 49.548 94.194 28.578 1.00 0.00 WT1 H ATOM 13690 OH2 TIP3 4021 65.569 17.984 1.890 1.00 0.00 WT1 O ATOM 13691 H1 TIP3 4021 66.238 17.559 2.426 1.00 0.00 WT1 H ATOM 13692 H2 TIP3 4021 65.110 18.566 2.495 1.00 0.00 WT1 H ATOM 13693 OH2 TIP3 4022 35.842 2.720 2.832 1.00 0.00 WT1 O ATOM 13694 H1 TIP3 4022 36.709 2.340 2.974 1.00 0.00 WT1 H ATOM 13695 H2 TIP3 4022 35.382 2.583 3.660 1.00 0.00 WT1 H ATOM 13696 OH2 TIP3 4023 29.999 7.226 47.624 1.00 0.00 WT1 O ATOM 13697 H1 TIP3 4023 29.793 6.468 47.078 1.00 0.00 WT1 H ATOM 13698 H2 TIP3 4023 30.914 7.424 47.424 1.00 0.00 WT1 H ATOM 13699 OH2 TIP3 4025 62.828 80.375 47.120 1.00 0.00 WT1 O ATOM 13700 H1 TIP3 4025 63.196 80.735 47.926 1.00 0.00 WT1 H ATOM 13701 H2 TIP3 4025 63.009 79.436 47.172 1.00 0.00 WT1 H ATOM 13702 OH2 TIP3 4026 48.234 88.377 -7.143 1.00 0.00 WT1 O ATOM 13703 H1 TIP3 4026 48.152 88.145 -6.218 1.00 0.00 WT1 H ATOM 13704 H2 TIP3 4026 48.072 87.558 -7.611 1.00 0.00 WT1 H ATOM 13705 OH2 TIP3 4027 61.003 14.675 47.821 1.00 0.00 WT1 O ATOM 13706 H1 TIP3 4027 60.512 14.766 47.005 1.00 0.00 WT1 H ATOM 13707 H2 TIP3 4027 61.823 14.255 47.563 1.00 0.00 WT1 H ATOM 13708 OH2 TIP3 4028 36.175 30.364 29.772 1.00 0.00 WT1 O ATOM 13709 H1 TIP3 4028 35.816 30.139 30.630 1.00 0.00 WT1 H ATOM 13710 H2 TIP3 4028 36.156 31.321 29.747 1.00 0.00 WT1 H ATOM 13711 OH2 TIP3 4029 42.030 83.704 36.328 1.00 0.00 WT1 O ATOM 13712 H1 TIP3 4029 41.972 82.795 36.622 1.00 0.00 WT1 H ATOM 13713 H2 TIP3 4029 42.355 83.647 35.430 1.00 0.00 WT1 H ATOM 13714 OH2 TIP3 4030 55.280 76.970 -10.552 1.00 0.00 WT1 O ATOM 13715 H1 TIP3 4030 56.108 77.070 -11.022 1.00 0.00 WT1 H ATOM 13716 H2 TIP3 4030 54.864 76.210 -10.957 1.00 0.00 WT1 H ATOM 13717 OH2 TIP3 4031 40.642 61.146 40.171 1.00 0.00 WT1 O ATOM 13718 H1 TIP3 4031 40.427 62.045 40.418 1.00 0.00 WT1 H ATOM 13719 H2 TIP3 4031 40.820 61.191 39.231 1.00 0.00 WT1 H ATOM 13720 OH2 TIP3 4032 80.398 69.360 -12.637 1.00 0.00 WT1 O ATOM 13721 H1 TIP3 4032 80.728 68.837 -13.368 1.00 0.00 WT1 H ATOM 13722 H2 TIP3 4032 79.664 68.852 -12.291 1.00 0.00 WT1 H ATOM 13723 OH2 TIP3 4033 39.735 34.976 1.734 1.00 0.00 WT1 O ATOM 13724 H1 TIP3 4033 40.595 35.001 1.313 1.00 0.00 WT1 H ATOM 13725 H2 TIP3 4033 39.888 35.322 2.613 1.00 0.00 WT1 H ATOM 13726 OH2 TIP3 4034 40.468 86.773 54.891 1.00 0.00 WT1 O ATOM 13727 H1 TIP3 4034 41.402 86.920 55.040 1.00 0.00 WT1 H ATOM 13728 H2 TIP3 4034 40.093 86.709 55.769 1.00 0.00 WT1 H ATOM 13729 OH2 TIP3 4035 68.428 0.357 5.328 1.00 0.00 WT1 O ATOM 13730 H1 TIP3 4035 67.938 0.497 6.138 1.00 0.00 WT1 H ATOM 13731 H2 TIP3 4035 68.882 1.186 5.176 1.00 0.00 WT1 H ATOM 13732 OH2 TIP3 4036 34.675 90.493 -14.775 1.00 0.00 WT1 O ATOM 13733 H1 TIP3 4036 35.517 90.050 -14.884 1.00 0.00 WT1 H ATOM 13734 H2 TIP3 4036 34.634 90.703 -13.842 1.00 0.00 WT1 H ATOM 13735 OH2 TIP3 4037 90.088 64.220 34.827 1.00 0.00 WT1 O ATOM 13736 H1 TIP3 4037 90.610 64.345 35.619 1.00 0.00 WT1 H ATOM 13737 H2 TIP3 4037 89.922 63.278 34.795 1.00 0.00 WT1 H ATOM 13738 OH2 TIP3 4039 46.676 83.239 0.417 1.00 0.00 WT1 O ATOM 13739 H1 TIP3 4039 46.784 83.302 -0.532 1.00 0.00 WT1 H ATOM 13740 H2 TIP3 4039 46.292 82.373 0.558 1.00 0.00 WT1 H ATOM 13741 OH2 TIP3 4040 61.281 43.739 50.691 1.00 0.00 WT1 O ATOM 13742 H1 TIP3 4040 61.869 44.492 50.635 1.00 0.00 WT1 H ATOM 13743 H2 TIP3 4040 60.592 43.924 50.052 1.00 0.00 WT1 H ATOM 13744 OH2 TIP3 4041 44.678 6.553 -9.746 1.00 0.00 WT1 O ATOM 13745 H1 TIP3 4041 43.812 6.186 -9.926 1.00 0.00 WT1 H ATOM 13746 H2 TIP3 4041 44.633 6.840 -8.834 1.00 0.00 WT1 H ATOM 13747 OH2 TIP3 4042 59.111 90.556 26.546 1.00 0.00 WT1 O ATOM 13748 H1 TIP3 4042 58.344 90.366 27.085 1.00 0.00 WT1 H ATOM 13749 H2 TIP3 4042 58.792 91.166 25.880 1.00 0.00 WT1 H ATOM 13750 OH2 TIP3 4043 36.363 51.193 9.058 1.00 0.00 WT1 O ATOM 13751 H1 TIP3 4043 37.000 51.291 8.350 1.00 0.00 WT1 H ATOM 13752 H2 TIP3 4043 36.837 51.458 9.846 1.00 0.00 WT1 H ATOM 13753 OH2 TIP3 4044 62.143 90.386 34.650 1.00 0.00 WT1 O ATOM 13754 H1 TIP3 4044 61.344 90.879 34.460 1.00 0.00 WT1 H ATOM 13755 H2 TIP3 4044 61.936 89.888 35.440 1.00 0.00 WT1 H ATOM 13756 OH2 TIP3 4045 87.067 32.377 58.207 1.00 0.00 WT1 O ATOM 13757 H1 TIP3 4045 86.278 32.614 58.694 1.00 0.00 WT1 H ATOM 13758 H2 TIP3 4045 87.579 31.850 58.821 1.00 0.00 WT1 H ATOM 13759 OH2 TIP3 4046 46.714 95.166 53.515 1.00 0.00 WT1 O ATOM 13760 H1 TIP3 4046 47.668 95.231 53.460 1.00 0.00 WT1 H ATOM 13761 H2 TIP3 4046 46.497 94.391 52.997 1.00 0.00 WT1 H ATOM 13762 OH2 TIP3 4049 48.773 95.406 41.565 1.00 0.00 WT1 O ATOM 13763 H1 TIP3 4049 48.651 96.326 41.331 1.00 0.00 WT1 H ATOM 13764 H2 TIP3 4049 49.605 95.385 42.037 1.00 0.00 WT1 H ATOM 13765 OH2 TIP3 4050 49.317 84.945 59.547 1.00 0.00 WT1 O ATOM 13766 H1 TIP3 4050 49.856 84.919 58.756 1.00 0.00 WT1 H ATOM 13767 H2 TIP3 4050 49.729 84.315 60.139 1.00 0.00 WT1 H ATOM 13768 OH2 TIP3 4052 81.837 60.897 64.024 1.00 0.00 WT1 O ATOM 13769 H1 TIP3 4052 81.161 60.556 64.610 1.00 0.00 WT1 H ATOM 13770 H2 TIP3 4052 82.076 61.744 64.400 1.00 0.00 WT1 H ATOM 13771 OH2 TIP3 4053 85.190 12.269 2.345 1.00 0.00 WT1 O ATOM 13772 H1 TIP3 4053 84.257 12.450 2.236 1.00 0.00 WT1 H ATOM 13773 H2 TIP3 4053 85.536 13.049 2.780 1.00 0.00 WT1 H ATOM 13774 OH2 TIP3 4054 75.807 45.095 7.498 1.00 0.00 WT1 O ATOM 13775 H1 TIP3 4054 76.235 45.254 8.340 1.00 0.00 WT1 H ATOM 13776 H2 TIP3 4054 75.326 45.902 7.317 1.00 0.00 WT1 H ATOM 13777 OH2 TIP3 4055 32.060 55.022 62.502 1.00 0.00 WT1 O ATOM 13778 H1 TIP3 4055 31.718 54.968 63.395 1.00 0.00 WT1 H ATOM 13779 H2 TIP3 4055 31.533 54.396 62.005 1.00 0.00 WT1 H ATOM 13780 OH2 TIP3 4056 83.804 30.330 -6.717 1.00 0.00 WT1 O ATOM 13781 H1 TIP3 4056 83.459 30.390 -5.826 1.00 0.00 WT1 H ATOM 13782 H2 TIP3 4056 84.724 30.092 -6.603 1.00 0.00 WT1 H ATOM 13783 OH2 TIP3 4057 72.731 17.827 -12.871 1.00 0.00 WT1 O ATOM 13784 H1 TIP3 4057 71.820 17.610 -13.070 1.00 0.00 WT1 H ATOM 13785 H2 TIP3 4057 73.078 18.180 -13.690 1.00 0.00 WT1 H ATOM 13786 OH2 TIP3 4059 25.054 58.718 -17.253 1.00 0.00 WT1 O ATOM 13787 H1 TIP3 4059 24.315 58.618 -16.653 1.00 0.00 WT1 H ATOM 13788 H2 TIP3 4059 25.826 58.559 -16.711 1.00 0.00 WT1 H ATOM 13789 OH2 TIP3 4060 29.018 52.550 -4.785 1.00 0.00 WT1 O ATOM 13790 H1 TIP3 4060 28.929 51.598 -4.752 1.00 0.00 WT1 H ATOM 13791 H2 TIP3 4060 29.278 52.798 -3.898 1.00 0.00 WT1 H ATOM 13792 OH2 TIP3 4061 21.239 77.507 27.728 1.00 0.00 WT1 O ATOM 13793 H1 TIP3 4061 21.302 76.970 28.517 1.00 0.00 WT1 H ATOM 13794 H2 TIP3 4061 21.612 76.961 27.036 1.00 0.00 WT1 H ATOM 13795 OH2 TIP3 4062 80.707 67.328 62.933 1.00 0.00 WT1 O ATOM 13796 H1 TIP3 4062 79.923 67.601 63.409 1.00 0.00 WT1 H ATOM 13797 H2 TIP3 4062 80.777 66.389 63.105 1.00 0.00 WT1 H ATOM 13798 OH2 TIP3 4064 34.088 10.237 47.130 1.00 0.00 WT1 O ATOM 13799 H1 TIP3 4064 34.428 10.700 46.364 1.00 0.00 WT1 H ATOM 13800 H2 TIP3 4064 34.782 10.313 47.784 1.00 0.00 WT1 H ATOM 13801 OH2 TIP3 4065 85.176 12.581 -15.838 1.00 0.00 WT1 O ATOM 13802 H1 TIP3 4065 85.275 13.118 -16.624 1.00 0.00 WT1 H ATOM 13803 H2 TIP3 4065 84.261 12.300 -15.852 1.00 0.00 WT1 H ATOM 13804 OH2 TIP3 4067 79.500 8.649 1.332 1.00 0.00 WT1 O ATOM 13805 H1 TIP3 4067 78.590 8.479 1.093 1.00 0.00 WT1 H ATOM 13806 H2 TIP3 4067 79.946 8.788 0.497 1.00 0.00 WT1 H ATOM 13807 OH2 TIP3 4068 87.078 42.590 27.672 1.00 0.00 WT1 O ATOM 13808 H1 TIP3 4068 86.862 42.680 26.743 1.00 0.00 WT1 H ATOM 13809 H2 TIP3 4068 87.986 42.289 27.679 1.00 0.00 WT1 H ATOM 13810 OH2 TIP3 4069 57.105 36.183 -11.057 1.00 0.00 WT1 O ATOM 13811 H1 TIP3 4069 56.220 35.838 -10.934 1.00 0.00 WT1 H ATOM 13812 H2 TIP3 4069 57.374 36.469 -10.185 1.00 0.00 WT1 H ATOM 13813 OH2 TIP3 4070 32.589 5.722 16.040 1.00 0.00 WT1 O ATOM 13814 H1 TIP3 4070 32.367 6.442 16.630 1.00 0.00 WT1 H ATOM 13815 H2 TIP3 4070 32.256 4.940 16.480 1.00 0.00 WT1 H ATOM 13816 OH2 TIP3 4071 33.662 90.617 25.061 1.00 0.00 WT1 O ATOM 13817 H1 TIP3 4071 34.073 90.826 24.222 1.00 0.00 WT1 H ATOM 13818 H2 TIP3 4071 33.670 89.661 25.100 1.00 0.00 WT1 H ATOM 13819 OH2 TIP3 4072 53.481 37.508 57.258 1.00 0.00 WT1 O ATOM 13820 H1 TIP3 4072 53.636 37.412 58.198 1.00 0.00 WT1 H ATOM 13821 H2 TIP3 4072 53.086 36.678 56.994 1.00 0.00 WT1 H ATOM 13822 OH2 TIP3 4073 80.654 73.393 56.214 1.00 0.00 WT1 O ATOM 13823 H1 TIP3 4073 81.398 73.114 55.681 1.00 0.00 WT1 H ATOM 13824 H2 TIP3 4073 80.278 74.132 55.734 1.00 0.00 WT1 H ATOM 13825 OH2 TIP3 4074 43.520 6.961 1.774 1.00 0.00 WT1 O ATOM 13826 H1 TIP3 4074 44.076 7.641 1.393 1.00 0.00 WT1 H ATOM 13827 H2 TIP3 4074 42.627 7.238 1.569 1.00 0.00 WT1 H ATOM 13828 OH2 TIP3 4075 57.779 74.352 -3.882 1.00 0.00 WT1 O ATOM 13829 H1 TIP3 4075 57.668 75.302 -3.847 1.00 0.00 WT1 H ATOM 13830 H2 TIP3 4075 56.951 74.027 -4.236 1.00 0.00 WT1 H ATOM 13831 OH2 TIP3 4076 50.908 26.544 63.621 1.00 0.00 WT1 O ATOM 13832 H1 TIP3 4076 51.675 26.700 64.171 1.00 0.00 WT1 H ATOM 13833 H2 TIP3 4076 51.191 26.788 62.740 1.00 0.00 WT1 H ATOM 13834 OH2 TIP3 4077 86.490 25.161 44.608 1.00 0.00 WT1 O ATOM 13835 H1 TIP3 4077 86.474 24.286 44.221 1.00 0.00 WT1 H ATOM 13836 H2 TIP3 4077 86.325 25.014 45.539 1.00 0.00 WT1 H ATOM 13837 OH2 TIP3 4078 23.592 12.005 -4.633 1.00 0.00 WT1 O ATOM 13838 H1 TIP3 4078 23.353 12.909 -4.836 1.00 0.00 WT1 H ATOM 13839 H2 TIP3 4078 24.533 12.039 -4.459 1.00 0.00 WT1 H ATOM 13840 OH2 TIP3 4079 39.663 64.530 57.500 1.00 0.00 WT1 O ATOM 13841 H1 TIP3 4079 40.618 64.497 57.455 1.00 0.00 WT1 H ATOM 13842 H2 TIP3 4079 39.474 64.763 58.409 1.00 0.00 WT1 H ATOM 13843 OH2 TIP3 4081 27.147 2.727 31.635 1.00 0.00 WT1 O ATOM 13844 H1 TIP3 4081 27.423 3.609 31.386 1.00 0.00 WT1 H ATOM 13845 H2 TIP3 4081 26.326 2.590 31.163 1.00 0.00 WT1 H ATOM 13846 OH2 TIP3 4082 24.975 84.425 17.401 1.00 0.00 WT1 O ATOM 13847 H1 TIP3 4082 25.706 84.751 17.926 1.00 0.00 WT1 H ATOM 13848 H2 TIP3 4082 25.319 83.641 16.972 1.00 0.00 WT1 H ATOM 13849 OH2 TIP3 4083 85.463 47.583 -10.518 1.00 0.00 WT1 O ATOM 13850 H1 TIP3 4083 85.973 47.587 -9.708 1.00 0.00 WT1 H ATOM 13851 H2 TIP3 4083 86.109 47.430 -11.207 1.00 0.00 WT1 H ATOM 13852 OH2 TIP3 4084 33.867 81.835 14.390 1.00 0.00 WT1 O ATOM 13853 H1 TIP3 4084 33.346 82.326 13.755 1.00 0.00 WT1 H ATOM 13854 H2 TIP3 4084 34.558 81.426 13.869 1.00 0.00 WT1 H ATOM 13855 OH2 TIP3 4087 29.825 81.890 61.718 1.00 0.00 WT1 O ATOM 13856 H1 TIP3 4087 29.950 81.051 62.162 1.00 0.00 WT1 H ATOM 13857 H2 TIP3 4087 29.559 81.654 60.829 1.00 0.00 WT1 H ATOM 13858 OH2 TIP3 4089 68.754 30.561 18.172 1.00 0.00 WT1 O ATOM 13859 H1 TIP3 4089 67.859 30.225 18.135 1.00 0.00 WT1 H ATOM 13860 H2 TIP3 4089 69.139 30.135 18.939 1.00 0.00 WT1 H ATOM 13861 OH2 TIP3 4090 71.633 92.013 34.406 1.00 0.00 WT1 O ATOM 13862 H1 TIP3 4090 72.010 91.989 35.285 1.00 0.00 WT1 H ATOM 13863 H2 TIP3 4090 71.267 91.138 34.277 1.00 0.00 WT1 H ATOM 13864 OH2 TIP3 4092 59.884 24.599 4.776 1.00 0.00 WT1 O ATOM 13865 H1 TIP3 4092 60.339 25.339 5.179 1.00 0.00 WT1 H ATOM 13866 H2 TIP3 4092 59.964 24.752 3.834 1.00 0.00 WT1 H ATOM 13867 OH2 TIP3 4093 40.297 18.258 62.871 1.00 0.00 WT1 O ATOM 13868 H1 TIP3 4093 40.358 17.423 63.335 1.00 0.00 WT1 H ATOM 13869 H2 TIP3 4093 39.388 18.534 62.993 1.00 0.00 WT1 H ATOM 13870 OH2 TIP3 4095 30.745 35.759 43.739 1.00 0.00 WT1 O ATOM 13871 H1 TIP3 4095 30.504 36.486 43.165 1.00 0.00 WT1 H ATOM 13872 H2 TIP3 4095 31.647 35.947 43.998 1.00 0.00 WT1 H ATOM 13873 OH2 TIP3 4096 65.431 81.176 56.438 1.00 0.00 WT1 O ATOM 13874 H1 TIP3 4096 66.167 81.149 55.826 1.00 0.00 WT1 H ATOM 13875 H2 TIP3 4096 65.459 82.058 56.808 1.00 0.00 WT1 H ATOM 13876 OH2 TIP3 4097 48.545 33.443 17.623 1.00 0.00 WT1 O ATOM 13877 H1 TIP3 4097 48.405 34.255 18.109 1.00 0.00 WT1 H ATOM 13878 H2 TIP3 4097 48.378 32.749 18.261 1.00 0.00 WT1 H ATOM 13879 OH2 TIP3 4098 48.540 35.675 19.300 1.00 0.00 WT1 O ATOM 13880 H1 TIP3 4098 48.717 36.575 19.025 1.00 0.00 WT1 H ATOM 13881 H2 TIP3 4098 49.145 35.523 20.026 1.00 0.00 WT1 H ATOM 13882 OH2 TIP3 4099 53.278 12.750 53.537 1.00 0.00 WT1 O ATOM 13883 H1 TIP3 4099 53.030 13.659 53.707 1.00 0.00 WT1 H ATOM 13884 H2 TIP3 4099 52.563 12.233 53.910 1.00 0.00 WT1 H ATOM 13885 OH2 TIP3 4100 31.704 68.497 54.345 1.00 0.00 WT1 O ATOM 13886 H1 TIP3 4100 31.129 67.812 54.685 1.00 0.00 WT1 H ATOM 13887 H2 TIP3 4100 31.407 68.637 53.446 1.00 0.00 WT1 H ATOM 13888 OH2 TIP3 4101 65.121 20.417 8.259 1.00 0.00 WT1 O ATOM 13889 H1 TIP3 4101 64.422 21.004 7.969 1.00 0.00 WT1 H ATOM 13890 H2 TIP3 4101 64.877 20.177 9.153 1.00 0.00 WT1 H ATOM 13891 OH2 TIP3 4102 31.618 47.201 -19.319 1.00 0.00 WT1 O ATOM 13892 H1 TIP3 4102 32.284 46.589 -19.004 1.00 0.00 WT1 H ATOM 13893 H2 TIP3 4102 31.464 47.789 -18.579 1.00 0.00 WT1 H ATOM 13894 OH2 TIP3 4103 74.343 36.280 -6.473 1.00 0.00 WT1 O ATOM 13895 H1 TIP3 4103 74.651 35.925 -5.638 1.00 0.00 WT1 H ATOM 13896 H2 TIP3 4103 73.733 36.975 -6.227 1.00 0.00 WT1 H ATOM 13897 OH2 TIP3 4104 33.326 20.447 -5.086 1.00 0.00 WT1 O ATOM 13898 H1 TIP3 4104 33.411 20.967 -5.885 1.00 0.00 WT1 H ATOM 13899 H2 TIP3 4104 34.058 19.831 -5.122 1.00 0.00 WT1 H ATOM 13900 OH2 TIP3 4106 21.014 79.635 -15.571 1.00 0.00 WT1 O ATOM 13901 H1 TIP3 4106 20.408 80.021 -16.204 1.00 0.00 WT1 H ATOM 13902 H2 TIP3 4106 20.450 79.287 -14.880 1.00 0.00 WT1 H ATOM 13903 OH2 TIP3 4109 50.460 81.420 26.578 1.00 0.00 WT1 O ATOM 13904 H1 TIP3 4109 50.234 80.491 26.544 1.00 0.00 WT1 H ATOM 13905 H2 TIP3 4109 50.527 81.685 25.661 1.00 0.00 WT1 H ATOM 13906 OH2 TIP3 4110 52.189 27.111 22.442 1.00 0.00 WT1 O ATOM 13907 H1 TIP3 4110 52.780 27.838 22.640 1.00 0.00 WT1 H ATOM 13908 H2 TIP3 4110 51.508 27.499 21.892 1.00 0.00 WT1 H ATOM 13909 OH2 TIP3 4112 47.780 44.063 53.388 1.00 0.00 WT1 O ATOM 13910 H1 TIP3 4112 47.603 44.999 53.478 1.00 0.00 WT1 H ATOM 13911 H2 TIP3 4112 47.786 43.732 54.287 1.00 0.00 WT1 H ATOM 13912 OH2 TIP3 4113 44.580 45.052 10.255 1.00 0.00 WT1 O ATOM 13913 H1 TIP3 4113 45.490 45.305 10.098 1.00 0.00 WT1 H ATOM 13914 H2 TIP3 4113 44.639 44.263 10.794 1.00 0.00 WT1 H ATOM 13915 OH2 TIP3 4114 62.192 52.046 60.458 1.00 0.00 WT1 O ATOM 13916 H1 TIP3 4114 62.335 52.992 60.428 1.00 0.00 WT1 H ATOM 13917 H2 TIP3 4114 62.124 51.842 61.390 1.00 0.00 WT1 H ATOM 13918 OH2 TIP3 4115 21.932 95.249 50.564 1.00 0.00 WT1 O ATOM 13919 H1 TIP3 4115 22.295 94.842 51.350 1.00 0.00 WT1 H ATOM 13920 H2 TIP3 4115 22.697 95.553 50.076 1.00 0.00 WT1 H ATOM 13921 OH2 TIP3 4116 46.341 43.959 62.992 1.00 0.00 WT1 O ATOM 13922 H1 TIP3 4116 47.124 43.752 62.482 1.00 0.00 WT1 H ATOM 13923 H2 TIP3 4116 45.647 43.438 62.588 1.00 0.00 WT1 H ATOM 13924 OH2 TIP3 4117 37.363 22.174 53.697 1.00 0.00 WT1 O ATOM 13925 H1 TIP3 4117 37.912 22.944 53.549 1.00 0.00 WT1 H ATOM 13926 H2 TIP3 4117 36.694 22.471 54.313 1.00 0.00 WT1 H ATOM 13927 OH2 TIP3 4118 66.763 37.229 31.159 1.00 0.00 WT1 O ATOM 13928 H1 TIP3 4118 65.933 37.579 31.482 1.00 0.00 WT1 H ATOM 13929 H2 TIP3 4118 66.963 37.760 30.388 1.00 0.00 WT1 H ATOM 13930 OH2 TIP3 4119 82.134 52.747 -11.059 1.00 0.00 WT1 O ATOM 13931 H1 TIP3 4119 82.877 53.166 -11.494 1.00 0.00 WT1 H ATOM 13932 H2 TIP3 4119 81.535 53.468 -10.862 1.00 0.00 WT1 H ATOM 13933 OH2 TIP3 4120 44.027 25.631 50.924 1.00 0.00 WT1 O ATOM 13934 H1 TIP3 4120 44.832 25.302 51.323 1.00 0.00 WT1 H ATOM 13935 H2 TIP3 4120 44.108 26.584 50.969 1.00 0.00 WT1 H ATOM 13936 OH2 TIP3 4121 80.522 56.921 -17.043 1.00 0.00 WT1 O ATOM 13937 H1 TIP3 4121 81.138 57.370 -17.622 1.00 0.00 WT1 H ATOM 13938 H2 TIP3 4121 80.612 55.995 -17.271 1.00 0.00 WT1 H ATOM 13939 OH2 TIP3 4123 65.622 31.391 10.421 1.00 0.00 WT1 O ATOM 13940 H1 TIP3 4123 65.616 32.087 9.764 1.00 0.00 WT1 H ATOM 13941 H2 TIP3 4123 64.700 31.160 10.535 1.00 0.00 WT1 H ATOM 13942 OH2 TIP3 4125 45.108 31.648 5.644 1.00 0.00 WT1 O ATOM 13943 H1 TIP3 4125 45.953 31.197 5.652 1.00 0.00 WT1 H ATOM 13944 H2 TIP3 4125 45.145 32.240 6.395 1.00 0.00 WT1 H ATOM 13945 OH2 TIP3 4130 29.720 51.987 63.538 1.00 0.00 WT1 O ATOM 13946 H1 TIP3 4130 30.264 51.592 64.219 1.00 0.00 WT1 H ATOM 13947 H2 TIP3 4130 29.320 52.747 63.960 1.00 0.00 WT1 H ATOM 13948 OH2 TIP3 4131 71.682 17.226 -1.052 1.00 0.00 WT1 O ATOM 13949 H1 TIP3 4131 70.833 17.652 -1.175 1.00 0.00 WT1 H ATOM 13950 H2 TIP3 4131 71.648 16.876 -0.161 1.00 0.00 WT1 H ATOM 13951 OH2 TIP3 4132 61.737 5.199 22.951 1.00 0.00 WT1 O ATOM 13952 H1 TIP3 4132 61.820 4.336 23.358 1.00 0.00 WT1 H ATOM 13953 H2 TIP3 4132 60.794 5.324 22.844 1.00 0.00 WT1 H ATOM 13954 OH2 TIP3 4133 68.515 62.867 66.920 1.00 0.00 WT1 O ATOM 13955 H1 TIP3 4133 69.466 62.902 66.815 1.00 0.00 WT1 H ATOM 13956 H2 TIP3 4133 68.259 63.773 67.092 1.00 0.00 WT1 H ATOM 13957 OH2 TIP3 4134 47.912 13.276 -1.005 1.00 0.00 WT1 O ATOM 13958 H1 TIP3 4134 47.605 12.759 -0.260 1.00 0.00 WT1 H ATOM 13959 H2 TIP3 4134 48.858 13.345 -0.876 1.00 0.00 WT1 H ATOM 13960 OH2 TIP3 4135 61.755 34.381 23.910 1.00 0.00 WT1 O ATOM 13961 H1 TIP3 4135 62.475 33.813 23.637 1.00 0.00 WT1 H ATOM 13962 H2 TIP3 4135 62.033 34.731 24.757 1.00 0.00 WT1 H ATOM 13963 OH2 TIP3 4136 64.131 8.667 41.142 1.00 0.00 WT1 O ATOM 13964 H1 TIP3 4136 63.395 9.120 40.730 1.00 0.00 WT1 H ATOM 13965 H2 TIP3 4136 64.103 8.948 42.057 1.00 0.00 WT1 H ATOM 13966 OH2 TIP3 4137 29.978 29.375 49.379 1.00 0.00 WT1 O ATOM 13967 H1 TIP3 4137 30.193 28.692 50.014 1.00 0.00 WT1 H ATOM 13968 H2 TIP3 4137 30.242 29.010 48.535 1.00 0.00 WT1 H ATOM 13969 OH2 TIP3 4138 33.162 18.549 -1.129 1.00 0.00 WT1 O ATOM 13970 H1 TIP3 4138 33.663 19.260 -0.729 1.00 0.00 WT1 H ATOM 13971 H2 TIP3 4138 33.458 18.528 -2.039 1.00 0.00 WT1 H ATOM 13972 OH2 TIP3 4139 52.876 84.601 -0.169 1.00 0.00 WT1 O ATOM 13973 H1 TIP3 4139 51.979 84.273 -0.103 1.00 0.00 WT1 H ATOM 13974 H2 TIP3 4139 53.322 83.970 -0.734 1.00 0.00 WT1 H ATOM 13975 OH2 TIP3 4140 62.643 20.513 60.284 1.00 0.00 WT1 O ATOM 13976 H1 TIP3 4140 61.812 20.948 60.476 1.00 0.00 WT1 H ATOM 13977 H2 TIP3 4140 63.288 21.220 60.274 1.00 0.00 WT1 H ATOM 13978 OH2 TIP3 4141 82.523 27.397 3.582 1.00 0.00 WT1 O ATOM 13979 H1 TIP3 4141 83.334 26.967 3.312 1.00 0.00 WT1 H ATOM 13980 H2 TIP3 4141 81.939 27.303 2.829 1.00 0.00 WT1 H ATOM 13981 OH2 TIP3 4142 69.710 40.164 50.533 1.00 0.00 WT1 O ATOM 13982 H1 TIP3 4142 70.259 39.382 50.468 1.00 0.00 WT1 H ATOM 13983 H2 TIP3 4142 70.016 40.731 49.826 1.00 0.00 WT1 H ATOM 13984 OH2 TIP3 4143 80.984 12.451 64.577 1.00 0.00 WT1 O ATOM 13985 H1 TIP3 4143 81.426 12.738 65.376 1.00 0.00 WT1 H ATOM 13986 H2 TIP3 4143 80.182 12.030 64.885 1.00 0.00 WT1 H ATOM 13987 OH2 TIP3 4144 70.222 30.197 11.991 1.00 0.00 WT1 O ATOM 13988 H1 TIP3 4144 69.646 29.540 12.383 1.00 0.00 WT1 H ATOM 13989 H2 TIP3 4144 69.708 30.569 11.274 1.00 0.00 WT1 H ATOM 13990 OH2 TIP3 4145 29.173 94.698 43.903 1.00 0.00 WT1 O ATOM 13991 H1 TIP3 4145 29.854 95.056 44.473 1.00 0.00 WT1 H ATOM 13992 H2 TIP3 4145 29.207 95.243 43.117 1.00 0.00 WT1 H ATOM 13993 OH2 TIP3 4147 25.417 5.893 48.762 1.00 0.00 WT1 O ATOM 13994 H1 TIP3 4147 26.036 5.199 48.535 1.00 0.00 WT1 H ATOM 13995 H2 TIP3 4147 25.784 6.682 48.365 1.00 0.00 WT1 H ATOM 13996 OH2 TIP3 4151 21.499 83.621 -4.960 1.00 0.00 WT1 O ATOM 13997 H1 TIP3 4151 21.677 82.695 -4.797 1.00 0.00 WT1 H ATOM 13998 H2 TIP3 4151 21.122 83.941 -4.140 1.00 0.00 WT1 H ATOM 13999 OH2 TIP3 4153 39.661 75.861 51.509 1.00 0.00 WT1 O ATOM 14000 H1 TIP3 4153 40.177 76.617 51.791 1.00 0.00 WT1 H ATOM 14001 H2 TIP3 4153 40.273 75.126 51.544 1.00 0.00 WT1 H ATOM 14002 OH2 TIP3 4154 55.911 50.113 49.136 1.00 0.00 WT1 O ATOM 14003 H1 TIP3 4154 55.617 49.335 48.663 1.00 0.00 WT1 H ATOM 14004 H2 TIP3 4154 55.150 50.693 49.141 1.00 0.00 WT1 H ATOM 14005 OH2 TIP3 4155 47.676 63.784 65.639 1.00 0.00 WT1 O ATOM 14006 H1 TIP3 4155 47.492 64.408 64.938 1.00 0.00 WT1 H ATOM 14007 H2 TIP3 4155 48.631 63.742 65.679 1.00 0.00 WT1 H ATOM 14008 OH2 TIP3 4156 77.422 86.484 24.201 1.00 0.00 WT1 O ATOM 14009 H1 TIP3 4156 77.993 87.252 24.196 1.00 0.00 WT1 H ATOM 14010 H2 TIP3 4156 76.749 86.689 24.850 1.00 0.00 WT1 H ATOM 14011 OH2 TIP3 4157 78.710 24.892 -18.031 1.00 0.00 WT1 O ATOM 14012 H1 TIP3 4157 78.187 25.406 -17.416 1.00 0.00 WT1 H ATOM 14013 H2 TIP3 4157 79.384 25.498 -18.339 1.00 0.00 WT1 H ATOM 14014 OH2 TIP3 4158 24.309 4.640 -9.761 1.00 0.00 WT1 O ATOM 14015 H1 TIP3 4158 24.234 5.427 -10.300 1.00 0.00 WT1 H ATOM 14016 H2 TIP3 4158 24.963 4.103 -10.210 1.00 0.00 WT1 H ATOM 14017 OH2 TIP3 4159 80.410 41.215 -4.865 1.00 0.00 WT1 O ATOM 14018 H1 TIP3 4159 80.517 42.140 -4.645 1.00 0.00 WT1 H ATOM 14019 H2 TIP3 4159 79.464 41.093 -4.940 1.00 0.00 WT1 H ATOM 14020 OH2 TIP3 4160 35.473 25.002 50.032 1.00 0.00 WT1 O ATOM 14021 H1 TIP3 4160 36.077 24.391 50.454 1.00 0.00 WT1 H ATOM 14022 H2 TIP3 4160 35.997 25.787 49.874 1.00 0.00 WT1 H ATOM 14023 OH2 TIP3 4161 49.044 88.373 64.292 1.00 0.00 WT1 O ATOM 14024 H1 TIP3 4161 49.737 88.258 63.642 1.00 0.00 WT1 H ATOM 14025 H2 TIP3 4161 49.473 88.811 65.027 1.00 0.00 WT1 H ATOM 14026 OH2 TIP3 4162 24.201 67.332 -11.549 1.00 0.00 WT1 O ATOM 14027 H1 TIP3 4162 23.713 67.374 -12.371 1.00 0.00 WT1 H ATOM 14028 H2 TIP3 4162 24.144 66.414 -11.282 1.00 0.00 WT1 H ATOM 14029 OH2 TIP3 4164 83.790 47.873 22.591 1.00 0.00 WT1 O ATOM 14030 H1 TIP3 4164 84.246 48.475 22.002 1.00 0.00 WT1 H ATOM 14031 H2 TIP3 4164 83.303 47.290 22.008 1.00 0.00 WT1 H ATOM 14032 OH2 TIP3 4165 54.128 22.523 21.043 1.00 0.00 WT1 O ATOM 14033 H1 TIP3 4165 53.976 23.307 21.570 1.00 0.00 WT1 H ATOM 14034 H2 TIP3 4165 53.253 22.179 20.866 1.00 0.00 WT1 H ATOM 14035 OH2 TIP3 4166 59.973 27.860 16.162 1.00 0.00 WT1 O ATOM 14036 H1 TIP3 4166 60.515 27.590 16.905 1.00 0.00 WT1 H ATOM 14037 H2 TIP3 4166 59.649 28.727 16.405 1.00 0.00 WT1 H ATOM 14038 OH2 TIP3 4167 45.673 7.960 8.411 1.00 0.00 WT1 O ATOM 14039 H1 TIP3 4167 45.753 7.027 8.213 1.00 0.00 WT1 H ATOM 14040 H2 TIP3 4167 44.904 8.019 8.978 1.00 0.00 WT1 H ATOM 14041 OH2 TIP3 4169 47.150 39.365 56.420 1.00 0.00 WT1 O ATOM 14042 H1 TIP3 4169 47.327 39.610 55.511 1.00 0.00 WT1 H ATOM 14043 H2 TIP3 4169 46.359 38.828 56.373 1.00 0.00 WT1 H ATOM 14044 OH2 TIP3 4173 21.020 56.228 36.192 1.00 0.00 WT1 O ATOM 14045 H1 TIP3 4173 20.093 56.463 36.240 1.00 0.00 WT1 H ATOM 14046 H2 TIP3 4173 21.063 55.346 36.560 1.00 0.00 WT1 H ATOM 14047 OH2 TIP3 4174 46.454 27.989 43.286 1.00 0.00 WT1 O ATOM 14048 H1 TIP3 4174 45.968 28.813 43.264 1.00 0.00 WT1 H ATOM 14049 H2 TIP3 4174 47.234 28.184 43.805 1.00 0.00 WT1 H ATOM 14050 OH2 TIP3 4175 81.632 81.298 17.923 1.00 0.00 WT1 O ATOM 14051 H1 TIP3 4175 81.850 82.091 18.414 1.00 0.00 WT1 H ATOM 14052 H2 TIP3 4175 81.601 80.607 18.584 1.00 0.00 WT1 H ATOM 14053 OH2 TIP3 4177 33.200 3.886 -15.255 1.00 0.00 WT1 O ATOM 14054 H1 TIP3 4177 32.802 3.210 -15.804 1.00 0.00 WT1 H ATOM 14055 H2 TIP3 4177 33.560 3.408 -14.508 1.00 0.00 WT1 H ATOM 14056 OH2 TIP3 4178 82.650 76.021 35.123 1.00 0.00 WT1 O ATOM 14057 H1 TIP3 4178 83.358 76.632 35.328 1.00 0.00 WT1 H ATOM 14058 H2 TIP3 4178 83.020 75.156 35.303 1.00 0.00 WT1 H ATOM 14059 OH2 TIP3 4180 42.683 52.827 40.895 1.00 0.00 WT1 O ATOM 14060 H1 TIP3 4180 42.505 52.397 40.058 1.00 0.00 WT1 H ATOM 14061 H2 TIP3 4180 43.217 53.588 40.665 1.00 0.00 WT1 H ATOM 14062 OH2 TIP3 4181 80.895 47.234 -3.188 1.00 0.00 WT1 O ATOM 14063 H1 TIP3 4181 80.932 47.447 -2.256 1.00 0.00 WT1 H ATOM 14064 H2 TIP3 4181 81.045 48.069 -3.632 1.00 0.00 WT1 H ATOM 14065 OH2 TIP3 4182 48.902 50.399 7.077 1.00 0.00 WT1 O ATOM 14066 H1 TIP3 4182 49.692 50.625 7.568 1.00 0.00 WT1 H ATOM 14067 H2 TIP3 4182 49.222 50.127 6.217 1.00 0.00 WT1 H ATOM 14068 OH2 TIP3 4183 84.276 21.332 -5.954 1.00 0.00 WT1 O ATOM 14069 H1 TIP3 4183 84.799 20.719 -5.438 1.00 0.00 WT1 H ATOM 14070 H2 TIP3 4183 84.737 21.395 -6.790 1.00 0.00 WT1 H ATOM 14071 OH2 TIP3 4184 65.503 61.429 20.238 1.00 0.00 WT1 O ATOM 14072 H1 TIP3 4184 64.659 61.202 20.629 1.00 0.00 WT1 H ATOM 14073 H2 TIP3 4184 66.128 60.838 20.657 1.00 0.00 WT1 H ATOM 14074 OH2 TIP3 4186 71.030 25.633 -12.232 1.00 0.00 WT1 O ATOM 14075 H1 TIP3 4186 71.803 25.524 -12.785 1.00 0.00 WT1 H ATOM 14076 H2 TIP3 4186 71.318 26.213 -11.528 1.00 0.00 WT1 H ATOM 14077 OH2 TIP3 4187 42.751 55.122 9.420 1.00 0.00 WT1 O ATOM 14078 H1 TIP3 4187 43.253 55.748 8.898 1.00 0.00 WT1 H ATOM 14079 H2 TIP3 4187 43.322 54.358 9.493 1.00 0.00 WT1 H ATOM 14080 OH2 TIP3 4189 72.930 25.811 6.229 1.00 0.00 WT1 O ATOM 14081 H1 TIP3 4189 72.903 24.898 6.515 1.00 0.00 WT1 H ATOM 14082 H2 TIP3 4189 72.374 26.275 6.855 1.00 0.00 WT1 H ATOM 14083 OH2 TIP3 4191 37.723 19.746 64.068 1.00 0.00 WT1 O ATOM 14084 H1 TIP3 4191 37.273 19.153 63.466 1.00 0.00 WT1 H ATOM 14085 H2 TIP3 4191 37.276 19.623 64.905 1.00 0.00 WT1 H ATOM 14086 OH2 TIP3 4192 82.948 0.706 38.096 1.00 0.00 WT1 O ATOM 14087 H1 TIP3 4192 82.084 0.296 38.142 1.00 0.00 WT1 H ATOM 14088 H2 TIP3 4192 83.486 0.201 38.706 1.00 0.00 WT1 H ATOM 14089 OH2 TIP3 4194 27.121 25.519 -17.805 1.00 0.00 WT1 O ATOM 14090 H1 TIP3 4194 27.429 25.839 -16.956 1.00 0.00 WT1 H ATOM 14091 H2 TIP3 4194 26.653 26.262 -18.186 1.00 0.00 WT1 H ATOM 14092 OH2 TIP3 4196 83.106 35.219 31.802 1.00 0.00 WT1 O ATOM 14093 H1 TIP3 4196 82.561 34.831 32.486 1.00 0.00 WT1 H ATOM 14094 H2 TIP3 4196 82.482 35.523 31.142 1.00 0.00 WT1 H ATOM 14095 OH2 TIP3 4197 56.908 9.190 27.129 1.00 0.00 WT1 O ATOM 14096 H1 TIP3 4197 57.554 9.892 27.216 1.00 0.00 WT1 H ATOM 14097 H2 TIP3 4197 57.134 8.756 26.306 1.00 0.00 WT1 H ATOM 14098 OH2 TIP3 4198 62.646 18.046 -2.096 1.00 0.00 WT1 O ATOM 14099 H1 TIP3 4198 62.900 17.445 -1.395 1.00 0.00 WT1 H ATOM 14100 H2 TIP3 4198 63.270 17.869 -2.801 1.00 0.00 WT1 H ATOM 14101 OH2 TIP3 4199 61.021 23.854 37.089 1.00 0.00 WT1 O ATOM 14102 H1 TIP3 4199 60.376 23.205 36.807 1.00 0.00 WT1 H ATOM 14103 H2 TIP3 4199 61.270 24.309 36.284 1.00 0.00 WT1 H ATOM 14104 OH2 TIP3 4200 30.686 71.964 -2.790 1.00 0.00 WT1 O ATOM 14105 H1 TIP3 4200 31.193 71.230 -3.138 1.00 0.00 WT1 H ATOM 14106 H2 TIP3 4200 30.969 72.039 -1.879 1.00 0.00 WT1 H ATOM 14107 OH2 TIP3 4201 57.869 7.348 60.786 1.00 0.00 WT1 O ATOM 14108 H1 TIP3 4201 58.465 8.038 60.495 1.00 0.00 WT1 H ATOM 14109 H2 TIP3 4201 58.387 6.545 60.733 1.00 0.00 WT1 H ATOM 14110 OH2 TIP3 4202 43.204 23.747 -13.338 1.00 0.00 WT1 O ATOM 14111 H1 TIP3 4202 43.673 23.081 -12.835 1.00 0.00 WT1 H ATOM 14112 H2 TIP3 4202 43.545 23.659 -14.228 1.00 0.00 WT1 H ATOM 14113 OH2 TIP3 4204 21.801 40.033 64.991 1.00 0.00 WT1 O ATOM 14114 H1 TIP3 4204 22.074 39.275 64.475 1.00 0.00 WT1 H ATOM 14115 H2 TIP3 4204 22.123 39.851 65.874 1.00 0.00 WT1 H ATOM 14116 OH2 TIP3 4205 37.997 44.973 -16.404 1.00 0.00 WT1 O ATOM 14117 H1 TIP3 4205 38.224 45.340 -15.550 1.00 0.00 WT1 H ATOM 14118 H2 TIP3 4205 38.823 44.630 -16.745 1.00 0.00 WT1 H ATOM 14119 OH2 TIP3 4207 25.961 29.957 15.036 1.00 0.00 WT1 O ATOM 14120 H1 TIP3 4207 26.231 30.267 15.900 1.00 0.00 WT1 H ATOM 14121 H2 TIP3 4207 25.825 30.756 14.526 1.00 0.00 WT1 H ATOM 14122 OH2 TIP3 4209 77.086 47.371 -7.775 1.00 0.00 WT1 O ATOM 14123 H1 TIP3 4209 77.892 47.715 -7.392 1.00 0.00 WT1 H ATOM 14124 H2 TIP3 4209 76.504 47.235 -7.027 1.00 0.00 WT1 H ATOM 14125 OH2 TIP3 4217 39.745 10.495 26.841 1.00 0.00 WT1 O ATOM 14126 H1 TIP3 4217 39.402 10.405 27.730 1.00 0.00 WT1 H ATOM 14127 H2 TIP3 4217 40.624 10.856 26.958 1.00 0.00 WT1 H ATOM 14128 OH2 TIP3 4218 50.739 27.220 4.671 1.00 0.00 WT1 O ATOM 14129 H1 TIP3 4218 51.575 27.290 5.131 1.00 0.00 WT1 H ATOM 14130 H2 TIP3 4218 50.685 26.301 4.410 1.00 0.00 WT1 H ATOM 14131 OH2 TIP3 4219 49.796 64.737 50.170 1.00 0.00 WT1 O ATOM 14132 H1 TIP3 4219 48.981 65.222 50.046 1.00 0.00 WT1 H ATOM 14133 H2 TIP3 4219 50.468 65.292 49.773 1.00 0.00 WT1 H ATOM 14134 OH2 TIP3 4220 27.699 8.889 27.410 1.00 0.00 WT1 O ATOM 14135 H1 TIP3 4220 27.896 9.671 27.927 1.00 0.00 WT1 H ATOM 14136 H2 TIP3 4220 27.373 9.229 26.577 1.00 0.00 WT1 H ATOM 14137 OH2 TIP3 4221 73.067 5.738 50.173 1.00 0.00 WT1 O ATOM 14138 H1 TIP3 4221 73.463 5.490 51.008 1.00 0.00 WT1 H ATOM 14139 H2 TIP3 4221 72.399 6.382 50.406 1.00 0.00 WT1 H ATOM 14140 OH2 TIP3 4222 59.952 25.489 -4.673 1.00 0.00 WT1 O ATOM 14141 H1 TIP3 4222 60.079 24.543 -4.745 1.00 0.00 WT1 H ATOM 14142 H2 TIP3 4222 59.026 25.590 -4.455 1.00 0.00 WT1 H ATOM 14143 OH2 TIP3 4223 51.248 57.881 49.886 1.00 0.00 WT1 O ATOM 14144 H1 TIP3 4223 51.573 58.519 49.251 1.00 0.00 WT1 H ATOM 14145 H2 TIP3 4223 51.264 57.047 49.418 1.00 0.00 WT1 H ATOM 14146 OH2 TIP3 4224 65.682 53.706 60.401 1.00 0.00 WT1 O ATOM 14147 H1 TIP3 4224 64.940 53.706 59.796 1.00 0.00 WT1 H ATOM 14148 H2 TIP3 4224 65.374 54.204 61.158 1.00 0.00 WT1 H ATOM 14149 OH2 TIP3 4225 65.905 27.083 2.720 1.00 0.00 WT1 O ATOM 14150 H1 TIP3 4225 65.348 27.794 3.035 1.00 0.00 WT1 H ATOM 14151 H2 TIP3 4225 66.466 27.492 2.061 1.00 0.00 WT1 H ATOM 14152 OH2 TIP3 4226 54.439 26.974 -4.433 1.00 0.00 WT1 O ATOM 14153 H1 TIP3 4226 53.483 26.950 -4.393 1.00 0.00 WT1 H ATOM 14154 H2 TIP3 4226 54.709 27.271 -3.564 1.00 0.00 WT1 H ATOM 14155 OH2 TIP3 4227 39.024 44.290 -2.680 1.00 0.00 WT1 O ATOM 14156 H1 TIP3 4227 38.423 45.024 -2.807 1.00 0.00 WT1 H ATOM 14157 H2 TIP3 4227 39.725 44.645 -2.133 1.00 0.00 WT1 H ATOM 14158 OH2 TIP3 4228 43.474 72.497 -14.610 1.00 0.00 WT1 O ATOM 14159 H1 TIP3 4228 42.653 72.316 -15.068 1.00 0.00 WT1 H ATOM 14160 H2 TIP3 4228 43.839 73.256 -15.063 1.00 0.00 WT1 H ATOM 14161 OH2 TIP3 4229 77.296 13.867 55.081 1.00 0.00 WT1 O ATOM 14162 H1 TIP3 4229 76.672 14.582 55.214 1.00 0.00 WT1 H ATOM 14163 H2 TIP3 4229 76.786 13.072 55.237 1.00 0.00 WT1 H ATOM 14164 OH2 TIP3 4231 25.035 16.567 43.837 1.00 0.00 WT1 O ATOM 14165 H1 TIP3 4231 25.397 17.446 43.949 1.00 0.00 WT1 H ATOM 14166 H2 TIP3 4231 24.528 16.412 44.634 1.00 0.00 WT1 H ATOM 14167 OH2 TIP3 4232 65.775 17.450 23.031 1.00 0.00 WT1 O ATOM 14168 H1 TIP3 4232 66.117 18.249 22.630 1.00 0.00 WT1 H ATOM 14169 H2 TIP3 4232 64.851 17.432 22.780 1.00 0.00 WT1 H ATOM 14170 OH2 TIP3 4234 32.419 29.424 -7.209 1.00 0.00 WT1 O ATOM 14171 H1 TIP3 4234 32.375 30.147 -7.835 1.00 0.00 WT1 H ATOM 14172 H2 TIP3 4234 31.676 29.568 -6.623 1.00 0.00 WT1 H ATOM 14173 OH2 TIP3 4239 89.787 4.579 -11.315 1.00 0.00 WT1 O ATOM 14174 H1 TIP3 4239 89.363 4.497 -10.461 1.00 0.00 WT1 H ATOM 14175 H2 TIP3 4239 90.436 3.876 -11.329 1.00 0.00 WT1 H ATOM 14176 OH2 TIP3 4240 44.286 56.553 47.417 1.00 0.00 WT1 O ATOM 14177 H1 TIP3 4240 44.794 56.014 46.811 1.00 0.00 WT1 H ATOM 14178 H2 TIP3 4240 44.393 57.446 47.092 1.00 0.00 WT1 H ATOM 14179 OH2 TIP3 4241 56.057 23.203 61.970 1.00 0.00 WT1 O ATOM 14180 H1 TIP3 4241 55.590 22.624 61.367 1.00 0.00 WT1 H ATOM 14181 H2 TIP3 4241 55.443 23.917 62.141 1.00 0.00 WT1 H ATOM 14182 OH2 TIP3 4243 56.041 3.133 -7.217 1.00 0.00 WT1 O ATOM 14183 H1 TIP3 4243 56.534 2.373 -6.909 1.00 0.00 WT1 H ATOM 14184 H2 TIP3 4243 56.492 3.884 -6.832 1.00 0.00 WT1 H ATOM 14185 OH2 TIP3 4245 54.351 36.439 -11.218 1.00 0.00 WT1 O ATOM 14186 H1 TIP3 4245 54.389 36.605 -12.160 1.00 0.00 WT1 H ATOM 14187 H2 TIP3 4245 54.250 37.306 -10.825 1.00 0.00 WT1 H ATOM 14188 OH2 TIP3 4246 22.503 90.725 49.087 1.00 0.00 WT1 O ATOM 14189 H1 TIP3 4246 22.562 91.121 49.957 1.00 0.00 WT1 H ATOM 14190 H2 TIP3 4246 21.585 90.829 48.838 1.00 0.00 WT1 H ATOM 14191 OH2 TIP3 4247 61.580 74.490 -12.793 1.00 0.00 WT1 O ATOM 14192 H1 TIP3 4247 61.679 74.862 -11.917 1.00 0.00 WT1 H ATOM 14193 H2 TIP3 4247 62.476 74.350 -13.098 1.00 0.00 WT1 H ATOM 14194 OH2 TIP3 4249 61.952 28.901 46.399 1.00 0.00 WT1 O ATOM 14195 H1 TIP3 4249 61.736 29.787 46.691 1.00 0.00 WT1 H ATOM 14196 H2 TIP3 4249 62.401 28.505 47.146 1.00 0.00 WT1 H ATOM 14197 OH2 TIP3 4251 88.512 16.469 3.547 1.00 0.00 WT1 O ATOM 14198 H1 TIP3 4251 88.147 15.709 4.001 1.00 0.00 WT1 H ATOM 14199 H2 TIP3 4251 88.301 17.211 4.113 1.00 0.00 WT1 H ATOM 14200 OH2 TIP3 4255 51.091 41.775 25.339 1.00 0.00 WT1 O ATOM 14201 H1 TIP3 4255 50.437 42.473 25.360 1.00 0.00 WT1 H ATOM 14202 H2 TIP3 4255 51.865 42.183 24.949 1.00 0.00 WT1 H ATOM 14203 OH2 TIP3 4258 54.656 44.208 40.596 1.00 0.00 WT1 O ATOM 14204 H1 TIP3 4258 54.775 43.625 39.847 1.00 0.00 WT1 H ATOM 14205 H2 TIP3 4258 53.708 44.246 40.722 1.00 0.00 WT1 H ATOM 14206 OH2 TIP3 4259 38.990 45.423 45.567 1.00 0.00 WT1 O ATOM 14207 H1 TIP3 4259 38.587 46.235 45.261 1.00 0.00 WT1 H ATOM 14208 H2 TIP3 4259 39.106 45.552 46.508 1.00 0.00 WT1 H ATOM 14209 OH2 TIP3 4261 73.595 40.755 17.724 1.00 0.00 WT1 O ATOM 14210 H1 TIP3 4261 73.767 41.120 16.856 1.00 0.00 WT1 H ATOM 14211 H2 TIP3 4261 73.334 39.850 17.556 1.00 0.00 WT1 H ATOM 14212 OH2 TIP3 4262 82.861 31.026 3.000 1.00 0.00 WT1 O ATOM 14213 H1 TIP3 4262 83.376 31.297 3.759 1.00 0.00 WT1 H ATOM 14214 H2 TIP3 4262 82.364 30.267 3.305 1.00 0.00 WT1 H ATOM 14215 OH2 TIP3 4263 22.033 86.118 37.265 1.00 0.00 WT1 O ATOM 14216 H1 TIP3 4263 21.748 86.038 36.355 1.00 0.00 WT1 H ATOM 14217 H2 TIP3 4263 21.340 85.695 37.772 1.00 0.00 WT1 H ATOM 14218 OH2 TIP3 4264 51.112 38.763 40.894 1.00 0.00 WT1 O ATOM 14219 H1 TIP3 4264 50.720 37.902 40.754 1.00 0.00 WT1 H ATOM 14220 H2 TIP3 4264 50.774 39.300 40.177 1.00 0.00 WT1 H ATOM 14221 OH2 TIP3 4266 83.206 62.237 -19.742 1.00 0.00 WT1 O ATOM 14222 H1 TIP3 4266 83.935 62.390 -19.141 1.00 0.00 WT1 H ATOM 14223 H2 TIP3 4266 83.386 61.378 -20.124 1.00 0.00 WT1 H ATOM 14224 OH2 TIP3 4267 50.913 18.161 -1.703 1.00 0.00 WT1 O ATOM 14225 H1 TIP3 4267 51.208 18.885 -2.256 1.00 0.00 WT1 H ATOM 14226 H2 TIP3 4267 50.267 18.554 -1.117 1.00 0.00 WT1 H ATOM 14227 OH2 TIP3 4268 62.173 92.622 14.036 1.00 0.00 WT1 O ATOM 14228 H1 TIP3 4268 62.428 91.914 14.627 1.00 0.00 WT1 H ATOM 14229 H2 TIP3 4268 62.123 92.209 13.174 1.00 0.00 WT1 H ATOM 14230 OH2 TIP3 4269 83.801 36.372 7.573 1.00 0.00 WT1 O ATOM 14231 H1 TIP3 4269 84.240 37.042 7.049 1.00 0.00 WT1 H ATOM 14232 H2 TIP3 4269 82.868 36.552 7.462 1.00 0.00 WT1 H ATOM 14233 OH2 TIP3 4273 51.842 7.222 -19.433 1.00 0.00 WT1 O ATOM 14234 H1 TIP3 4273 52.428 6.833 -20.081 1.00 0.00 WT1 H ATOM 14235 H2 TIP3 4273 51.253 6.510 -19.183 1.00 0.00 WT1 H ATOM 14236 OH2 TIP3 4279 33.198 31.780 8.198 1.00 0.00 WT1 O ATOM 14237 H1 TIP3 4279 33.940 31.222 7.965 1.00 0.00 WT1 H ATOM 14238 H2 TIP3 4279 33.489 32.252 8.979 1.00 0.00 WT1 H ATOM 14239 OH2 TIP3 4282 45.919 34.999 54.521 1.00 0.00 WT1 O ATOM 14240 H1 TIP3 4282 46.479 35.774 54.486 1.00 0.00 WT1 H ATOM 14241 H2 TIP3 4282 45.637 34.948 55.435 1.00 0.00 WT1 H ATOM 14242 OH2 TIP3 4283 76.005 51.419 49.337 1.00 0.00 WT1 O ATOM 14243 H1 TIP3 4283 75.138 51.698 49.631 1.00 0.00 WT1 H ATOM 14244 H2 TIP3 4283 75.846 50.987 48.498 1.00 0.00 WT1 H ATOM 14245 OH2 TIP3 4284 69.604 68.544 52.566 1.00 0.00 WT1 O ATOM 14246 H1 TIP3 4284 70.241 68.388 53.262 1.00 0.00 WT1 H ATOM 14247 H2 TIP3 4284 69.392 67.672 52.234 1.00 0.00 WT1 H ATOM 14248 OH2 TIP3 4286 46.508 6.006 50.589 1.00 0.00 WT1 O ATOM 14249 H1 TIP3 4286 46.548 5.079 50.828 1.00 0.00 WT1 H ATOM 14250 H2 TIP3 4286 45.701 6.087 50.081 1.00 0.00 WT1 H ATOM 14251 OH2 TIP3 4287 63.976 68.453 -15.609 1.00 0.00 WT1 O ATOM 14252 H1 TIP3 4287 64.820 68.827 -15.861 1.00 0.00 WT1 H ATOM 14253 H2 TIP3 4287 63.454 69.206 -15.331 1.00 0.00 WT1 H ATOM 14254 OH2 TIP3 4288 61.751 9.262 18.249 1.00 0.00 WT1 O ATOM 14255 H1 TIP3 4288 61.444 9.993 17.713 1.00 0.00 WT1 H ATOM 14256 H2 TIP3 4288 62.693 9.223 18.086 1.00 0.00 WT1 H ATOM 14257 OH2 TIP3 4289 57.481 4.697 11.304 1.00 0.00 WT1 O ATOM 14258 H1 TIP3 4289 57.244 4.866 12.216 1.00 0.00 WT1 H ATOM 14259 H2 TIP3 4289 57.698 3.765 11.281 1.00 0.00 WT1 H ATOM 14260 OH2 TIP3 4290 36.493 23.335 59.443 1.00 0.00 WT1 O ATOM 14261 H1 TIP3 4290 36.493 23.053 58.528 1.00 0.00 WT1 H ATOM 14262 H2 TIP3 4290 37.131 22.764 59.870 1.00 0.00 WT1 H ATOM 14263 OH2 TIP3 4292 74.243 49.344 25.758 1.00 0.00 WT1 O ATOM 14264 H1 TIP3 4292 73.366 48.963 25.715 1.00 0.00 WT1 H ATOM 14265 H2 TIP3 4292 74.252 50.004 25.064 1.00 0.00 WT1 H ATOM 14266 OH2 TIP3 4294 25.277 63.804 61.240 1.00 0.00 WT1 O ATOM 14267 H1 TIP3 4294 24.912 63.292 61.961 1.00 0.00 WT1 H ATOM 14268 H2 TIP3 4294 25.198 63.232 60.476 1.00 0.00 WT1 H ATOM 14269 OH2 TIP3 4296 90.269 22.230 38.867 1.00 0.00 WT1 O ATOM 14270 H1 TIP3 4296 90.362 22.837 38.132 1.00 0.00 WT1 H ATOM 14271 H2 TIP3 4296 91.161 22.110 39.193 1.00 0.00 WT1 H ATOM 14272 OH2 TIP3 4297 40.778 23.101 12.503 1.00 0.00 WT1 O ATOM 14273 H1 TIP3 4297 40.038 23.253 11.915 1.00 0.00 WT1 H ATOM 14274 H2 TIP3 4297 41.226 22.340 12.134 1.00 0.00 WT1 H ATOM 14275 OH2 TIP3 4299 46.160 90.555 12.280 1.00 0.00 WT1 O ATOM 14276 H1 TIP3 4299 46.306 91.441 12.612 1.00 0.00 WT1 H ATOM 14277 H2 TIP3 4299 46.168 90.001 13.060 1.00 0.00 WT1 H ATOM 14278 OH2 TIP3 4301 60.760 34.745 48.696 1.00 0.00 WT1 O ATOM 14279 H1 TIP3 4301 60.578 34.141 47.977 1.00 0.00 WT1 H ATOM 14280 H2 TIP3 4301 59.976 35.290 48.756 1.00 0.00 WT1 H ATOM 14281 OH2 TIP3 4303 47.373 86.439 58.852 1.00 0.00 WT1 O ATOM 14282 H1 TIP3 4303 47.733 87.270 59.163 1.00 0.00 WT1 H ATOM 14283 H2 TIP3 4303 47.989 85.778 59.167 1.00 0.00 WT1 H ATOM 14284 OH2 TIP3 4304 90.075 82.022 -13.475 1.00 0.00 WT1 O ATOM 14285 H1 TIP3 4304 89.853 81.736 -12.589 1.00 0.00 WT1 H ATOM 14286 H2 TIP3 4304 91.022 81.898 -13.536 1.00 0.00 WT1 H ATOM 14287 OH2 TIP3 4306 62.873 48.115 5.176 1.00 0.00 WT1 O ATOM 14288 H1 TIP3 4306 63.308 48.967 5.200 1.00 0.00 WT1 H ATOM 14289 H2 TIP3 4306 63.496 47.516 5.588 1.00 0.00 WT1 H ATOM 14290 OH2 TIP3 4307 37.995 10.716 12.381 1.00 0.00 WT1 O ATOM 14291 H1 TIP3 4307 38.486 11.121 13.095 1.00 0.00 WT1 H ATOM 14292 H2 TIP3 4307 37.974 9.784 12.601 1.00 0.00 WT1 H ATOM 14293 OH2 TIP3 4308 22.164 39.005 13.341 1.00 0.00 WT1 O ATOM 14294 H1 TIP3 4308 22.116 38.066 13.162 1.00 0.00 WT1 H ATOM 14295 H2 TIP3 4308 21.408 39.181 13.901 1.00 0.00 WT1 H ATOM 14296 OH2 TIP3 4309 66.166 58.528 28.857 1.00 0.00 WT1 O ATOM 14297 H1 TIP3 4309 65.541 59.133 29.254 1.00 0.00 WT1 H ATOM 14298 H2 TIP3 4309 65.865 58.431 27.953 1.00 0.00 WT1 H ATOM 14299 OH2 TIP3 4311 70.499 72.148 -11.384 1.00 0.00 WT1 O ATOM 14300 H1 TIP3 4311 71.332 72.306 -10.939 1.00 0.00 WT1 H ATOM 14301 H2 TIP3 4311 69.959 71.703 -10.731 1.00 0.00 WT1 H ATOM 14302 OH2 TIP3 4312 77.125 30.136 19.183 1.00 0.00 WT1 O ATOM 14303 H1 TIP3 4312 76.534 30.762 19.603 1.00 0.00 WT1 H ATOM 14304 H2 TIP3 4312 77.982 30.561 19.209 1.00 0.00 WT1 H ATOM 14305 OH2 TIP3 4313 89.936 26.681 42.388 1.00 0.00 WT1 O ATOM 14306 H1 TIP3 4313 90.295 27.431 41.914 1.00 0.00 WT1 H ATOM 14307 H2 TIP3 4313 90.701 26.250 42.769 1.00 0.00 WT1 H ATOM 14308 OH2 TIP3 4317 59.824 74.610 -8.229 1.00 0.00 WT1 O ATOM 14309 H1 TIP3 4317 59.133 73.991 -8.465 1.00 0.00 WT1 H ATOM 14310 H2 TIP3 4317 60.306 74.176 -7.525 1.00 0.00 WT1 H ATOM 14311 OH2 TIP3 4318 77.362 40.079 36.944 1.00 0.00 WT1 O ATOM 14312 H1 TIP3 4318 78.061 39.493 37.233 1.00 0.00 WT1 H ATOM 14313 H2 TIP3 4318 77.782 40.660 36.310 1.00 0.00 WT1 H ATOM 14314 OH2 TIP3 4319 40.716 49.230 36.426 1.00 0.00 WT1 O ATOM 14315 H1 TIP3 4319 41.232 49.810 35.866 1.00 0.00 WT1 H ATOM 14316 H2 TIP3 4319 40.007 49.783 36.754 1.00 0.00 WT1 H ATOM 14317 OH2 TIP3 4321 47.137 18.720 -19.335 1.00 0.00 WT1 O ATOM 14318 H1 TIP3 4321 48.080 18.790 -19.483 1.00 0.00 WT1 H ATOM 14319 H2 TIP3 4321 46.819 19.621 -19.383 1.00 0.00 WT1 H ATOM 14320 OH2 TIP3 4322 56.904 59.308 40.423 1.00 0.00 WT1 O ATOM 14321 H1 TIP3 4322 56.272 59.467 39.722 1.00 0.00 WT1 H ATOM 14322 H2 TIP3 4322 56.374 59.272 41.219 1.00 0.00 WT1 H ATOM 14323 OH2 TIP3 4323 55.537 62.721 42.047 1.00 0.00 WT1 O ATOM 14324 H1 TIP3 4323 56.163 62.616 41.331 1.00 0.00 WT1 H ATOM 14325 H2 TIP3 4323 55.421 61.837 42.397 1.00 0.00 WT1 H ATOM 14326 OH2 TIP3 4325 46.855 53.884 10.308 1.00 0.00 WT1 O ATOM 14327 H1 TIP3 4325 46.706 54.578 10.950 1.00 0.00 WT1 H ATOM 14328 H2 TIP3 4325 47.807 53.796 10.267 1.00 0.00 WT1 H ATOM 14329 OH2 TIP3 4326 35.346 16.729 59.940 1.00 0.00 WT1 O ATOM 14330 H1 TIP3 4326 35.976 17.430 59.773 1.00 0.00 WT1 H ATOM 14331 H2 TIP3 4326 34.609 17.165 60.367 1.00 0.00 WT1 H ATOM 14332 OH2 TIP3 4328 39.491 46.119 9.792 1.00 0.00 WT1 O ATOM 14333 H1 TIP3 4328 39.072 46.774 10.350 1.00 0.00 WT1 H ATOM 14334 H2 TIP3 4328 40.348 45.974 10.193 1.00 0.00 WT1 H ATOM 14335 OH2 TIP3 4329 36.823 32.548 33.980 1.00 0.00 WT1 O ATOM 14336 H1 TIP3 4329 36.484 33.431 33.840 1.00 0.00 WT1 H ATOM 14337 H2 TIP3 4329 37.696 32.561 33.588 1.00 0.00 WT1 H ATOM 14338 OH2 TIP3 4330 46.799 72.968 15.035 1.00 0.00 WT1 O ATOM 14339 H1 TIP3 4330 47.159 72.109 15.256 1.00 0.00 WT1 H ATOM 14340 H2 TIP3 4330 46.234 72.805 14.280 1.00 0.00 WT1 H ATOM 14341 OH2 TIP3 4333 59.424 37.398 26.496 1.00 0.00 WT1 O ATOM 14342 H1 TIP3 4333 58.610 37.900 26.531 1.00 0.00 WT1 H ATOM 14343 H2 TIP3 4333 59.327 36.836 25.727 1.00 0.00 WT1 H ATOM 14344 OH2 TIP3 4334 37.848 91.664 35.521 1.00 0.00 WT1 O ATOM 14345 H1 TIP3 4334 38.042 90.784 35.197 1.00 0.00 WT1 H ATOM 14346 H2 TIP3 4334 38.141 92.247 34.820 1.00 0.00 WT1 H ATOM 14347 OH2 TIP3 4336 44.821 82.904 -18.215 1.00 0.00 WT1 O ATOM 14348 H1 TIP3 4336 44.259 82.867 -17.441 1.00 0.00 WT1 H ATOM 14349 H2 TIP3 4336 44.212 82.909 -18.954 1.00 0.00 WT1 H ATOM 14350 OH2 TIP3 4337 34.933 23.407 0.567 1.00 0.00 WT1 O ATOM 14351 H1 TIP3 4337 35.197 23.197 1.463 1.00 0.00 WT1 H ATOM 14352 H2 TIP3 4337 35.488 24.147 0.320 1.00 0.00 WT1 H ATOM 14353 OH2 TIP3 4340 55.782 45.125 23.347 1.00 0.00 WT1 O ATOM 14354 H1 TIP3 4340 55.053 45.653 23.674 1.00 0.00 WT1 H ATOM 14355 H2 TIP3 4340 55.704 45.173 22.394 1.00 0.00 WT1 H ATOM 14356 OH2 TIP3 4343 56.209 34.614 -19.907 1.00 0.00 WT1 O ATOM 14357 H1 TIP3 4343 55.972 35.484 -19.587 1.00 0.00 WT1 H ATOM 14358 H2 TIP3 4343 56.895 34.317 -19.310 1.00 0.00 WT1 H ATOM 14359 OH2 TIP3 4344 44.422 30.402 43.081 1.00 0.00 WT1 O ATOM 14360 H1 TIP3 4344 44.613 31.026 43.781 1.00 0.00 WT1 H ATOM 14361 H2 TIP3 4344 43.789 30.855 42.523 1.00 0.00 WT1 H ATOM 14362 OH2 TIP3 4346 63.522 10.667 31.157 1.00 0.00 WT1 O ATOM 14363 H1 TIP3 4346 63.970 11.105 31.881 1.00 0.00 WT1 H ATOM 14364 H2 TIP3 4346 62.930 10.046 31.582 1.00 0.00 WT1 H ATOM 14365 OH2 TIP3 4347 26.090 93.629 23.899 1.00 0.00 WT1 O ATOM 14366 H1 TIP3 4347 27.044 93.700 23.911 1.00 0.00 WT1 H ATOM 14367 H2 TIP3 4347 25.913 92.721 24.148 1.00 0.00 WT1 H ATOM 14368 OH2 TIP3 4350 54.801 18.877 47.266 1.00 0.00 WT1 O ATOM 14369 H1 TIP3 4350 55.293 19.009 46.456 1.00 0.00 WT1 H ATOM 14370 H2 TIP3 4350 54.213 18.147 47.073 1.00 0.00 WT1 H ATOM 14371 OH2 TIP3 4351 75.344 25.714 58.985 1.00 0.00 WT1 O ATOM 14372 H1 TIP3 4351 76.248 25.631 59.289 1.00 0.00 WT1 H ATOM 14373 H2 TIP3 4351 75.222 24.973 58.391 1.00 0.00 WT1 H ATOM 14374 OH2 TIP3 4352 47.901 81.164 13.389 1.00 0.00 WT1 O ATOM 14375 H1 TIP3 4352 47.269 81.049 14.098 1.00 0.00 WT1 H ATOM 14376 H2 TIP3 4352 47.697 80.463 12.770 1.00 0.00 WT1 H ATOM 14377 OH2 TIP3 4353 26.790 94.241 21.155 1.00 0.00 WT1 O ATOM 14378 H1 TIP3 4353 26.287 93.885 21.888 1.00 0.00 WT1 H ATOM 14379 H2 TIP3 4353 27.318 93.504 20.848 1.00 0.00 WT1 H ATOM 14380 OH2 TIP3 4355 82.641 80.568 -1.677 1.00 0.00 WT1 O ATOM 14381 H1 TIP3 4355 82.969 81.433 -1.430 1.00 0.00 WT1 H ATOM 14382 H2 TIP3 4355 82.435 80.143 -0.845 1.00 0.00 WT1 H ATOM 14383 OH2 TIP3 4356 73.872 13.548 -12.266 1.00 0.00 WT1 O ATOM 14384 H1 TIP3 4356 73.960 12.909 -12.974 1.00 0.00 WT1 H ATOM 14385 H2 TIP3 4356 74.653 14.097 -12.340 1.00 0.00 WT1 H ATOM 14386 OH2 TIP3 4357 64.362 78.122 55.258 1.00 0.00 WT1 O ATOM 14387 H1 TIP3 4357 64.213 77.691 54.416 1.00 0.00 WT1 H ATOM 14388 H2 TIP3 4357 63.594 78.680 55.381 1.00 0.00 WT1 H ATOM 14389 OH2 TIP3 4363 28.932 6.198 53.488 1.00 0.00 WT1 O ATOM 14390 H1 TIP3 4363 28.221 5.678 53.113 1.00 0.00 WT1 H ATOM 14391 H2 TIP3 4363 29.728 5.814 53.121 1.00 0.00 WT1 H ATOM 14392 OH2 TIP3 4364 41.884 50.993 -6.020 1.00 0.00 WT1 O ATOM 14393 H1 TIP3 4364 42.833 50.905 -5.929 1.00 0.00 WT1 H ATOM 14394 H2 TIP3 4364 41.583 50.116 -6.259 1.00 0.00 WT1 H ATOM 14395 OH2 TIP3 4365 28.975 88.657 43.229 1.00 0.00 WT1 O ATOM 14396 H1 TIP3 4365 29.364 87.915 42.766 1.00 0.00 WT1 H ATOM 14397 H2 TIP3 4365 28.379 88.259 43.863 1.00 0.00 WT1 H ATOM 14398 OH2 TIP3 4366 27.170 80.906 52.538 1.00 0.00 WT1 O ATOM 14399 H1 TIP3 4366 27.709 80.579 51.818 1.00 0.00 WT1 H ATOM 14400 H2 TIP3 4366 26.303 80.534 52.377 1.00 0.00 WT1 H ATOM 14401 OH2 TIP3 4372 89.376 55.766 51.965 1.00 0.00 WT1 O ATOM 14402 H1 TIP3 4372 89.856 55.270 51.302 1.00 0.00 WT1 H ATOM 14403 H2 TIP3 4372 90.048 56.058 52.580 1.00 0.00 WT1 H ATOM 14404 OH2 TIP3 4373 84.787 84.253 53.072 1.00 0.00 WT1 O ATOM 14405 H1 TIP3 4373 84.142 84.837 52.672 1.00 0.00 WT1 H ATOM 14406 H2 TIP3 4373 85.208 83.818 52.330 1.00 0.00 WT1 H ATOM 14407 OH2 TIP3 4374 87.759 3.580 59.231 1.00 0.00 WT1 O ATOM 14408 H1 TIP3 4374 88.011 4.497 59.341 1.00 0.00 WT1 H ATOM 14409 H2 TIP3 4374 87.215 3.388 59.996 1.00 0.00 WT1 H ATOM 14410 OH2 TIP3 4375 38.462 65.808 19.095 1.00 0.00 WT1 O ATOM 14411 H1 TIP3 4375 39.314 65.861 18.662 1.00 0.00 WT1 H ATOM 14412 H2 TIP3 4375 38.057 65.020 18.734 1.00 0.00 WT1 H ATOM 14413 OH2 TIP3 4376 79.817 66.482 -10.671 1.00 0.00 WT1 O ATOM 14414 H1 TIP3 4376 79.131 66.946 -10.192 1.00 0.00 WT1 H ATOM 14415 H2 TIP3 4376 80.128 65.814 -10.060 1.00 0.00 WT1 H ATOM 14416 OH2 TIP3 4377 40.384 87.197 49.135 1.00 0.00 WT1 O ATOM 14417 H1 TIP3 4377 39.709 86.998 49.784 1.00 0.00 WT1 H ATOM 14418 H2 TIP3 4377 40.034 87.941 48.645 1.00 0.00 WT1 H ATOM 14419 OH2 TIP3 4378 30.405 87.203 39.145 1.00 0.00 WT1 O ATOM 14420 H1 TIP3 4378 30.511 86.804 40.009 1.00 0.00 WT1 H ATOM 14421 H2 TIP3 4378 29.870 86.578 38.656 1.00 0.00 WT1 H ATOM 14422 OH2 TIP3 4379 33.184 34.648 61.681 1.00 0.00 WT1 O ATOM 14423 H1 TIP3 4379 33.565 35.402 62.131 1.00 0.00 WT1 H ATOM 14424 H2 TIP3 4379 32.309 34.938 61.424 1.00 0.00 WT1 H ATOM 14425 OH2 TIP3 4380 55.539 3.262 7.773 1.00 0.00 WT1 O ATOM 14426 H1 TIP3 4380 55.302 3.831 8.505 1.00 0.00 WT1 H ATOM 14427 H2 TIP3 4380 54.702 2.941 7.437 1.00 0.00 WT1 H ATOM 14428 OH2 TIP3 4381 58.952 72.865 33.772 1.00 0.00 WT1 O ATOM 14429 H1 TIP3 4381 59.130 72.019 33.361 1.00 0.00 WT1 H ATOM 14430 H2 TIP3 4381 57.998 72.906 33.832 1.00 0.00 WT1 H ATOM 14431 OH2 TIP3 4382 23.705 60.694 31.644 1.00 0.00 WT1 O ATOM 14432 H1 TIP3 4382 24.402 61.343 31.743 1.00 0.00 WT1 H ATOM 14433 H2 TIP3 4382 24.092 60.008 31.101 1.00 0.00 WT1 H ATOM 14434 OH2 TIP3 4383 83.504 54.932 -15.191 1.00 0.00 WT1 O ATOM 14435 H1 TIP3 4383 83.720 54.817 -14.265 1.00 0.00 WT1 H ATOM 14436 H2 TIP3 4383 82.569 55.137 -15.196 1.00 0.00 WT1 H ATOM 14437 OH2 TIP3 4384 40.946 51.289 42.928 1.00 0.00 WT1 O ATOM 14438 H1 TIP3 4384 41.128 51.781 42.127 1.00 0.00 WT1 H ATOM 14439 H2 TIP3 4384 41.782 51.271 43.394 1.00 0.00 WT1 H ATOM 14440 OH2 TIP3 4386 82.495 91.238 -15.337 1.00 0.00 WT1 O ATOM 14441 H1 TIP3 4386 82.831 90.782 -14.565 1.00 0.00 WT1 H ATOM 14442 H2 TIP3 4386 83.258 91.340 -15.906 1.00 0.00 WT1 H ATOM 14443 OH2 TIP3 4387 41.348 75.888 -19.064 1.00 0.00 WT1 O ATOM 14444 H1 TIP3 4387 41.830 75.680 -18.264 1.00 0.00 WT1 H ATOM 14445 H2 TIP3 4387 41.880 75.518 -19.768 1.00 0.00 WT1 H ATOM 14446 OH2 TIP3 4388 36.484 78.414 67.465 1.00 0.00 WT1 O ATOM 14447 H1 TIP3 4388 35.780 77.830 67.185 1.00 0.00 WT1 H ATOM 14448 H2 TIP3 4388 37.035 78.516 66.689 1.00 0.00 WT1 H ATOM 14449 OH2 TIP3 4389 89.664 20.975 47.788 1.00 0.00 WT1 O ATOM 14450 H1 TIP3 4389 89.594 20.279 47.135 1.00 0.00 WT1 H ATOM 14451 H2 TIP3 4389 88.846 21.465 47.704 1.00 0.00 WT1 H ATOM 14452 OH2 TIP3 4390 71.333 29.241 -17.506 1.00 0.00 WT1 O ATOM 14453 H1 TIP3 4390 71.926 28.771 -18.092 1.00 0.00 WT1 H ATOM 14454 H2 TIP3 4390 71.403 28.780 -16.671 1.00 0.00 WT1 H ATOM 14455 OH2 TIP3 4391 59.116 23.878 45.143 1.00 0.00 WT1 O ATOM 14456 H1 TIP3 4391 58.577 23.637 44.390 1.00 0.00 WT1 H ATOM 14457 H2 TIP3 4391 59.571 24.674 44.868 1.00 0.00 WT1 H ATOM 14458 OH2 TIP3 4392 64.390 79.038 58.184 1.00 0.00 WT1 O ATOM 14459 H1 TIP3 4392 63.460 78.839 58.069 1.00 0.00 WT1 H ATOM 14460 H2 TIP3 4392 64.548 79.784 57.605 1.00 0.00 WT1 H ATOM 14461 OH2 TIP3 4394 27.670 39.247 -4.023 1.00 0.00 WT1 O ATOM 14462 H1 TIP3 4394 28.316 39.704 -4.563 1.00 0.00 WT1 H ATOM 14463 H2 TIP3 4394 26.868 39.758 -4.125 1.00 0.00 WT1 H ATOM 14464 OH2 TIP3 4395 71.336 49.949 21.861 1.00 0.00 WT1 O ATOM 14465 H1 TIP3 4395 72.287 49.967 21.754 1.00 0.00 WT1 H ATOM 14466 H2 TIP3 4395 71.159 50.592 22.547 1.00 0.00 WT1 H ATOM 14467 OH2 TIP3 4396 26.366 51.130 -6.725 1.00 0.00 WT1 O ATOM 14468 H1 TIP3 4396 25.528 51.293 -7.159 1.00 0.00 WT1 H ATOM 14469 H2 TIP3 4396 26.625 51.983 -6.375 1.00 0.00 WT1 H ATOM 14470 OH2 TIP3 4397 47.430 94.663 -4.849 1.00 0.00 WT1 O ATOM 14471 H1 TIP3 4397 47.202 94.064 -5.559 1.00 0.00 WT1 H ATOM 14472 H2 TIP3 4397 48.174 95.162 -5.186 1.00 0.00 WT1 H ATOM 14473 OH2 TIP3 4398 43.577 49.975 -2.303 1.00 0.00 WT1 O ATOM 14474 H1 TIP3 4398 43.552 50.294 -1.401 1.00 0.00 WT1 H ATOM 14475 H2 TIP3 4398 44.354 50.386 -2.682 1.00 0.00 WT1 H ATOM 14476 OH2 TIP3 4401 43.168 56.299 42.915 1.00 0.00 WT1 O ATOM 14477 H1 TIP3 4401 44.018 56.472 42.510 1.00 0.00 WT1 H ATOM 14478 H2 TIP3 4401 42.550 56.293 42.184 1.00 0.00 WT1 H ATOM 14479 OH2 TIP3 4402 35.745 5.858 54.307 1.00 0.00 WT1 O ATOM 14480 H1 TIP3 4402 35.608 5.699 55.241 1.00 0.00 WT1 H ATOM 14481 H2 TIP3 4402 36.562 6.356 54.266 1.00 0.00 WT1 H ATOM 14482 OH2 TIP3 4403 62.366 18.513 52.461 1.00 0.00 WT1 O ATOM 14483 H1 TIP3 4403 61.429 18.421 52.290 1.00 0.00 WT1 H ATOM 14484 H2 TIP3 4403 62.786 17.974 51.791 1.00 0.00 WT1 H ATOM 14485 OH2 TIP3 4404 61.208 75.929 15.762 1.00 0.00 WT1 O ATOM 14486 H1 TIP3 4404 61.756 75.147 15.690 1.00 0.00 WT1 H ATOM 14487 H2 TIP3 4404 60.597 75.730 16.471 1.00 0.00 WT1 H ATOM 14488 OH2 TIP3 4405 24.207 93.840 -16.336 1.00 0.00 WT1 O ATOM 14489 H1 TIP3 4405 24.348 93.481 -15.460 1.00 0.00 WT1 H ATOM 14490 H2 TIP3 4405 24.161 93.072 -16.905 1.00 0.00 WT1 H ATOM 14491 OH2 TIP3 4407 41.877 96.160 -5.796 1.00 0.00 WT1 O ATOM 14492 H1 TIP3 4407 41.131 95.692 -6.173 1.00 0.00 WT1 H ATOM 14493 H2 TIP3 4407 41.852 97.023 -6.210 1.00 0.00 WT1 H ATOM 14494 OH2 TIP3 4409 49.532 13.571 15.306 1.00 0.00 WT1 O ATOM 14495 H1 TIP3 4409 50.084 12.806 15.471 1.00 0.00 WT1 H ATOM 14496 H2 TIP3 4409 50.151 14.291 15.188 1.00 0.00 WT1 H ATOM 14497 OH2 TIP3 4411 53.970 71.877 63.965 1.00 0.00 WT1 O ATOM 14498 H1 TIP3 4411 53.984 72.833 63.918 1.00 0.00 WT1 H ATOM 14499 H2 TIP3 4411 53.865 71.684 64.897 1.00 0.00 WT1 H ATOM 14500 OH2 TIP3 4412 26.005 29.186 21.588 1.00 0.00 WT1 O ATOM 14501 H1 TIP3 4412 25.479 29.454 20.835 1.00 0.00 WT1 H ATOM 14502 H2 TIP3 4412 26.848 28.932 21.213 1.00 0.00 WT1 H ATOM 14503 OH2 TIP3 4414 82.482 92.216 9.303 1.00 0.00 WT1 O ATOM 14504 H1 TIP3 4414 83.069 91.611 8.848 1.00 0.00 WT1 H ATOM 14505 H2 TIP3 4414 81.616 92.028 8.941 1.00 0.00 WT1 H ATOM 14506 OH2 TIP3 4415 21.730 0.337 20.738 1.00 0.00 WT1 O ATOM 14507 H1 TIP3 4415 21.282 0.357 21.584 1.00 0.00 WT1 H ATOM 14508 H2 TIP3 4415 21.665 1.234 20.411 1.00 0.00 WT1 H ATOM 14509 OH2 TIP3 4416 42.855 72.495 -1.742 1.00 0.00 WT1 O ATOM 14510 H1 TIP3 4416 42.409 72.882 -0.989 1.00 0.00 WT1 H ATOM 14511 H2 TIP3 4416 42.561 71.584 -1.754 1.00 0.00 WT1 H ATOM 14512 OH2 TIP3 4417 33.246 79.633 26.701 1.00 0.00 WT1 O ATOM 14513 H1 TIP3 4417 33.804 78.968 27.105 1.00 0.00 WT1 H ATOM 14514 H2 TIP3 4417 33.855 80.211 26.241 1.00 0.00 WT1 H ATOM 14515 OH2 TIP3 4419 53.289 26.221 55.733 1.00 0.00 WT1 O ATOM 14516 H1 TIP3 4419 53.226 26.675 54.893 1.00 0.00 WT1 H ATOM 14517 H2 TIP3 4419 53.352 25.294 55.501 1.00 0.00 WT1 H ATOM 14518 OH2 TIP3 4421 88.371 33.660 -9.511 1.00 0.00 WT1 O ATOM 14519 H1 TIP3 4421 88.365 33.391 -8.593 1.00 0.00 WT1 H ATOM 14520 H2 TIP3 4421 88.958 33.037 -9.940 1.00 0.00 WT1 H ATOM 14521 OH2 TIP3 4422 88.110 7.322 2.871 1.00 0.00 WT1 O ATOM 14522 H1 TIP3 4422 88.882 7.201 2.318 1.00 0.00 WT1 H ATOM 14523 H2 TIP3 4422 87.592 7.988 2.419 1.00 0.00 WT1 H ATOM 14524 OH2 TIP3 4425 40.543 85.863 7.494 1.00 0.00 WT1 O ATOM 14525 H1 TIP3 4425 41.110 86.618 7.337 1.00 0.00 WT1 H ATOM 14526 H2 TIP3 4425 39.737 86.065 7.019 1.00 0.00 WT1 H ATOM 14527 OH2 TIP3 4427 30.158 89.236 -15.528 1.00 0.00 WT1 O ATOM 14528 H1 TIP3 4427 30.576 89.652 -16.282 1.00 0.00 WT1 H ATOM 14529 H2 TIP3 4427 29.244 89.123 -15.792 1.00 0.00 WT1 H ATOM 14530 OH2 TIP3 4428 25.755 87.036 31.109 1.00 0.00 WT1 O ATOM 14531 H1 TIP3 4428 25.942 86.566 31.922 1.00 0.00 WT1 H ATOM 14532 H2 TIP3 4428 24.884 87.409 31.243 1.00 0.00 WT1 H ATOM 14533 OH2 TIP3 4429 27.896 91.667 7.296 1.00 0.00 WT1 O ATOM 14534 H1 TIP3 4429 28.801 91.711 7.605 1.00 0.00 WT1 H ATOM 14535 H2 TIP3 4429 27.370 91.883 8.066 1.00 0.00 WT1 H ATOM 14536 OH2 TIP3 4432 32.171 27.650 35.105 1.00 0.00 WT1 O ATOM 14537 H1 TIP3 4432 32.586 27.663 34.243 1.00 0.00 WT1 H ATOM 14538 H2 TIP3 4432 32.174 26.728 35.359 1.00 0.00 WT1 H ATOM 14539 OH2 TIP3 4433 24.192 -0.104 66.457 1.00 0.00 WT1 O ATOM 14540 H1 TIP3 4433 25.135 0.016 66.347 1.00 0.00 WT1 H ATOM 14541 H2 TIP3 4433 23.914 0.643 66.987 1.00 0.00 WT1 H ATOM 14542 OH2 TIP3 4434 28.935 35.732 -12.717 1.00 0.00 WT1 O ATOM 14543 H1 TIP3 4434 29.786 35.645 -12.288 1.00 0.00 WT1 H ATOM 14544 H2 TIP3 4434 28.482 36.411 -12.216 1.00 0.00 WT1 H ATOM 14545 OH2 TIP3 4435 86.159 71.814 54.809 1.00 0.00 WT1 O ATOM 14546 H1 TIP3 4435 87.084 71.599 54.932 1.00 0.00 WT1 H ATOM 14547 H2 TIP3 4435 86.026 72.607 55.328 1.00 0.00 WT1 H ATOM 14548 OH2 TIP3 4436 69.611 18.154 44.372 1.00 0.00 WT1 O ATOM 14549 H1 TIP3 4436 69.477 18.135 43.424 1.00 0.00 WT1 H ATOM 14550 H2 TIP3 4436 69.050 17.454 44.707 1.00 0.00 WT1 H ATOM 14551 OH2 TIP3 4437 83.072 11.121 62.785 1.00 0.00 WT1 O ATOM 14552 H1 TIP3 4437 82.276 10.674 62.497 1.00 0.00 WT1 H ATOM 14553 H2 TIP3 4437 82.860 11.448 63.659 1.00 0.00 WT1 H ATOM 14554 OH2 TIP3 4438 54.816 86.728 41.356 1.00 0.00 WT1 O ATOM 14555 H1 TIP3 4438 55.148 87.570 41.669 1.00 0.00 WT1 H ATOM 14556 H2 TIP3 4438 55.563 86.134 41.426 1.00 0.00 WT1 H ATOM 14557 OH2 TIP3 4441 43.198 36.657 15.285 1.00 0.00 WT1 O ATOM 14558 H1 TIP3 4441 43.539 36.020 14.658 1.00 0.00 WT1 H ATOM 14559 H2 TIP3 4441 42.879 36.128 16.016 1.00 0.00 WT1 H ATOM 14560 OH2 TIP3 4442 42.961 76.036 4.385 1.00 0.00 WT1 O ATOM 14561 H1 TIP3 4442 42.698 75.140 4.597 1.00 0.00 WT1 H ATOM 14562 H2 TIP3 4442 43.409 76.346 5.172 1.00 0.00 WT1 H ATOM 14563 OH2 TIP3 4443 89.523 31.157 38.968 1.00 0.00 WT1 O ATOM 14564 H1 TIP3 4443 89.513 30.797 38.082 1.00 0.00 WT1 H ATOM 14565 H2 TIP3 4443 88.769 30.755 39.400 1.00 0.00 WT1 H ATOM 14566 OH2 TIP3 4444 56.776 69.518 4.780 1.00 0.00 WT1 O ATOM 14567 H1 TIP3 4444 57.129 70.351 4.468 1.00 0.00 WT1 H ATOM 14568 H2 TIP3 4444 56.774 69.601 5.734 1.00 0.00 WT1 H ATOM 14569 OH2 TIP3 4446 28.787 11.503 37.143 1.00 0.00 WT1 O ATOM 14570 H1 TIP3 4446 27.928 11.092 37.048 1.00 0.00 WT1 H ATOM 14571 H2 TIP3 4446 29.274 11.223 36.368 1.00 0.00 WT1 H ATOM 14572 OH2 TIP3 4449 66.734 2.748 36.154 1.00 0.00 WT1 O ATOM 14573 H1 TIP3 4449 66.786 3.688 35.978 1.00 0.00 WT1 H ATOM 14574 H2 TIP3 4449 67.275 2.346 35.475 1.00 0.00 WT1 H ATOM 14575 OH2 TIP3 4450 53.639 61.706 14.710 1.00 0.00 WT1 O ATOM 14576 H1 TIP3 4450 53.621 61.261 15.557 1.00 0.00 WT1 H ATOM 14577 H2 TIP3 4450 54.566 61.734 14.473 1.00 0.00 WT1 H ATOM 14578 OH2 TIP3 4451 82.153 12.935 40.055 1.00 0.00 WT1 O ATOM 14579 H1 TIP3 4451 82.494 12.283 40.668 1.00 0.00 WT1 H ATOM 14580 H2 TIP3 4451 82.847 13.039 39.405 1.00 0.00 WT1 H ATOM 14581 OH2 TIP3 4452 56.083 70.360 55.415 1.00 0.00 WT1 O ATOM 14582 H1 TIP3 4452 56.012 69.598 54.841 1.00 0.00 WT1 H ATOM 14583 H2 TIP3 4452 55.577 71.042 54.973 1.00 0.00 WT1 H ATOM 14584 OH2 TIP3 4453 73.155 23.168 7.061 1.00 0.00 WT1 O ATOM 14585 H1 TIP3 4453 72.909 22.766 6.228 1.00 0.00 WT1 H ATOM 14586 H2 TIP3 4453 73.660 22.493 7.514 1.00 0.00 WT1 H ATOM 14587 OH2 TIP3 4454 71.994 45.356 -18.198 1.00 0.00 WT1 O ATOM 14588 H1 TIP3 4454 71.251 45.942 -18.343 1.00 0.00 WT1 H ATOM 14589 H2 TIP3 4454 72.671 45.916 -17.817 1.00 0.00 WT1 H ATOM 14590 OH2 TIP3 4455 28.559 72.243 65.114 1.00 0.00 WT1 O ATOM 14591 H1 TIP3 4455 28.021 72.440 65.881 1.00 0.00 WT1 H ATOM 14592 H2 TIP3 4455 28.125 71.495 64.703 1.00 0.00 WT1 H ATOM 14593 OH2 TIP3 4456 60.289 79.491 -9.602 1.00 0.00 WT1 O ATOM 14594 H1 TIP3 4456 61.191 79.730 -9.814 1.00 0.00 WT1 H ATOM 14595 H2 TIP3 4456 59.962 80.225 -9.082 1.00 0.00 WT1 H ATOM 14596 OH2 TIP3 4457 44.790 2.947 23.929 1.00 0.00 WT1 O ATOM 14597 H1 TIP3 4457 43.891 2.826 23.622 1.00 0.00 WT1 H ATOM 14598 H2 TIP3 4457 44.743 3.703 24.514 1.00 0.00 WT1 H ATOM 14599 OH2 TIP3 4459 81.113 60.823 32.431 1.00 0.00 WT1 O ATOM 14600 H1 TIP3 4459 80.955 59.940 32.096 1.00 0.00 WT1 H ATOM 14601 H2 TIP3 4459 80.318 61.041 32.917 1.00 0.00 WT1 H ATOM 14602 OH2 TIP3 4460 47.970 24.666 5.132 1.00 0.00 WT1 O ATOM 14603 H1 TIP3 4460 48.722 24.510 5.703 1.00 0.00 WT1 H ATOM 14604 H2 TIP3 4460 47.230 24.275 5.597 1.00 0.00 WT1 H ATOM 14605 OH2 TIP3 4461 37.229 71.565 1.094 1.00 0.00 WT1 O ATOM 14606 H1 TIP3 4461 36.809 70.892 1.631 1.00 0.00 WT1 H ATOM 14607 H2 TIP3 4461 36.785 72.377 1.337 1.00 0.00 WT1 H ATOM 14608 OH2 TIP3 4462 38.639 84.063 23.849 1.00 0.00 WT1 O ATOM 14609 H1 TIP3 4462 38.313 83.174 23.989 1.00 0.00 WT1 H ATOM 14610 H2 TIP3 4462 38.019 84.623 24.315 1.00 0.00 WT1 H ATOM 14611 OH2 TIP3 4463 31.964 4.214 -0.397 1.00 0.00 WT1 O ATOM 14612 H1 TIP3 4463 32.858 4.462 -0.161 1.00 0.00 WT1 H ATOM 14613 H2 TIP3 4463 31.903 4.398 -1.334 1.00 0.00 WT1 H ATOM 14614 OH2 TIP3 4464 39.557 30.172 40.679 1.00 0.00 WT1 O ATOM 14615 H1 TIP3 4464 40.019 30.843 40.176 1.00 0.00 WT1 H ATOM 14616 H2 TIP3 4464 38.861 29.871 40.095 1.00 0.00 WT1 H ATOM 14617 OH2 TIP3 4465 60.693 17.237 56.981 1.00 0.00 WT1 O ATOM 14618 H1 TIP3 4465 60.499 18.012 56.455 1.00 0.00 WT1 H ATOM 14619 H2 TIP3 4465 60.091 17.294 57.723 1.00 0.00 WT1 H ATOM 14620 OH2 TIP3 4466 22.273 28.622 18.542 1.00 0.00 WT1 O ATOM 14621 H1 TIP3 4466 21.836 28.454 17.707 1.00 0.00 WT1 H ATOM 14622 H2 TIP3 4466 21.841 28.035 19.162 1.00 0.00 WT1 H ATOM 14623 OH2 TIP3 4467 63.424 78.600 29.231 1.00 0.00 WT1 O ATOM 14624 H1 TIP3 4467 63.675 79.155 28.493 1.00 0.00 WT1 H ATOM 14625 H2 TIP3 4467 64.194 78.594 29.800 1.00 0.00 WT1 H ATOM 14626 OH2 TIP3 4468 53.360 14.615 -15.189 1.00 0.00 WT1 O ATOM 14627 H1 TIP3 4468 53.588 13.688 -15.108 1.00 0.00 WT1 H ATOM 14628 H2 TIP3 4468 53.779 14.895 -16.002 1.00 0.00 WT1 H ATOM 14629 OH2 TIP3 4469 45.062 42.795 -17.975 1.00 0.00 WT1 O ATOM 14630 H1 TIP3 4469 45.421 41.909 -17.933 1.00 0.00 WT1 H ATOM 14631 H2 TIP3 4469 45.180 43.145 -17.091 1.00 0.00 WT1 H ATOM 14632 OH2 TIP3 4470 42.358 23.905 -5.677 1.00 0.00 WT1 O ATOM 14633 H1 TIP3 4470 42.850 23.761 -4.868 1.00 0.00 WT1 H ATOM 14634 H2 TIP3 4470 41.859 24.706 -5.515 1.00 0.00 WT1 H ATOM 14635 OH2 TIP3 4472 49.951 92.758 36.352 1.00 0.00 WT1 O ATOM 14636 H1 TIP3 4472 49.473 92.015 35.983 1.00 0.00 WT1 H ATOM 14637 H2 TIP3 4472 50.298 93.223 35.591 1.00 0.00 WT1 H ATOM 14638 OH2 TIP3 4473 61.847 6.036 9.164 1.00 0.00 WT1 O ATOM 14639 H1 TIP3 4473 62.573 6.585 8.867 1.00 0.00 WT1 H ATOM 14640 H2 TIP3 4473 62.151 5.140 9.022 1.00 0.00 WT1 H ATOM 14641 OH2 TIP3 4474 75.465 95.802 11.244 1.00 0.00 WT1 O ATOM 14642 H1 TIP3 4474 75.144 95.340 10.470 1.00 0.00 WT1 H ATOM 14643 H2 TIP3 4474 76.411 95.865 11.110 1.00 0.00 WT1 H ATOM 14644 OH2 TIP3 4475 36.023 80.313 23.431 1.00 0.00 WT1 O ATOM 14645 H1 TIP3 4475 36.265 79.421 23.680 1.00 0.00 WT1 H ATOM 14646 H2 TIP3 4475 36.708 80.587 22.822 1.00 0.00 WT1 H ATOM 14647 OH2 TIP3 4476 41.954 81.090 36.821 1.00 0.00 WT1 O ATOM 14648 H1 TIP3 4476 42.467 80.285 36.893 1.00 0.00 WT1 H ATOM 14649 H2 TIP3 4476 41.797 81.191 35.882 1.00 0.00 WT1 H ATOM 14650 OH2 TIP3 4477 53.592 80.141 -14.297 1.00 0.00 WT1 O ATOM 14651 H1 TIP3 4477 52.935 79.963 -14.970 1.00 0.00 WT1 H ATOM 14652 H2 TIP3 4477 53.123 80.032 -13.470 1.00 0.00 WT1 H ATOM 14653 OH2 TIP3 4478 69.818 20.266 0.810 1.00 0.00 WT1 O ATOM 14654 H1 TIP3 4478 70.080 20.716 0.007 1.00 0.00 WT1 H ATOM 14655 H2 TIP3 4478 70.373 20.646 1.490 1.00 0.00 WT1 H ATOM 14656 OH2 TIP3 4479 50.034 23.309 59.106 1.00 0.00 WT1 O ATOM 14657 H1 TIP3 4479 49.860 24.094 59.624 1.00 0.00 WT1 H ATOM 14658 H2 TIP3 4479 50.846 22.956 59.470 1.00 0.00 WT1 H ATOM 14659 OH2 TIP3 4480 80.547 8.966 -7.345 1.00 0.00 WT1 O ATOM 14660 H1 TIP3 4480 79.742 9.336 -6.981 1.00 0.00 WT1 H ATOM 14661 H2 TIP3 4480 81.241 9.294 -6.773 1.00 0.00 WT1 H ATOM 14662 OH2 TIP3 4481 40.508 82.942 64.391 1.00 0.00 WT1 O ATOM 14663 H1 TIP3 4481 41.300 83.456 64.232 1.00 0.00 WT1 H ATOM 14664 H2 TIP3 4481 40.052 82.939 63.549 1.00 0.00 WT1 H ATOM 14665 OH2 TIP3 4482 77.214 90.967 30.377 1.00 0.00 WT1 O ATOM 14666 H1 TIP3 4482 77.838 91.583 29.993 1.00 0.00 WT1 H ATOM 14667 H2 TIP3 4482 76.467 90.978 29.779 1.00 0.00 WT1 H ATOM 14668 OH2 TIP3 4483 40.463 35.608 4.271 1.00 0.00 WT1 O ATOM 14669 H1 TIP3 4483 40.113 35.491 5.154 1.00 0.00 WT1 H ATOM 14670 H2 TIP3 4483 41.393 35.792 4.403 1.00 0.00 WT1 H ATOM 14671 OH2 TIP3 4485 68.843 39.882 60.288 1.00 0.00 WT1 O ATOM 14672 H1 TIP3 4485 67.905 39.701 60.231 1.00 0.00 WT1 H ATOM 14673 H2 TIP3 4485 68.913 40.829 60.165 1.00 0.00 WT1 H ATOM 14674 OH2 TIP3 4487 34.049 15.889 13.078 1.00 0.00 WT1 O ATOM 14675 H1 TIP3 4487 33.767 15.443 13.876 1.00 0.00 WT1 H ATOM 14676 H2 TIP3 4487 33.615 16.741 13.113 1.00 0.00 WT1 H ATOM 14677 OH2 TIP3 4489 22.953 92.575 45.781 1.00 0.00 WT1 O ATOM 14678 H1 TIP3 4489 23.714 93.090 45.512 1.00 0.00 WT1 H ATOM 14679 H2 TIP3 4489 23.257 91.667 45.756 1.00 0.00 WT1 H ATOM 14680 OH2 TIP3 4491 84.284 24.678 35.503 1.00 0.00 WT1 O ATOM 14681 H1 TIP3 4491 83.737 24.382 34.775 1.00 0.00 WT1 H ATOM 14682 H2 TIP3 4491 85.129 24.255 35.356 1.00 0.00 WT1 H ATOM 14683 OH2 TIP3 4492 57.469 22.905 38.708 1.00 0.00 WT1 O ATOM 14684 H1 TIP3 4492 58.238 23.413 38.966 1.00 0.00 WT1 H ATOM 14685 H2 TIP3 4492 57.194 23.290 37.876 1.00 0.00 WT1 H ATOM 14686 OH2 TIP3 4493 38.719 26.883 -8.420 1.00 0.00 WT1 O ATOM 14687 H1 TIP3 4493 38.333 27.159 -7.589 1.00 0.00 WT1 H ATOM 14688 H2 TIP3 4493 39.614 26.628 -8.197 1.00 0.00 WT1 H ATOM 14689 OH2 TIP3 4495 81.219 29.201 61.742 1.00 0.00 WT1 O ATOM 14690 H1 TIP3 4495 81.679 29.127 60.906 1.00 0.00 WT1 H ATOM 14691 H2 TIP3 4495 81.169 30.142 61.906 1.00 0.00 WT1 H ATOM 14692 OH2 TIP3 4496 36.004 94.300 30.457 1.00 0.00 WT1 O ATOM 14693 H1 TIP3 4496 36.116 95.213 30.723 1.00 0.00 WT1 H ATOM 14694 H2 TIP3 4496 36.636 94.177 29.749 1.00 0.00 WT1 H ATOM 14695 OH2 TIP3 4497 54.347 34.613 -1.569 1.00 0.00 WT1 O ATOM 14696 H1 TIP3 4497 54.512 35.502 -1.256 1.00 0.00 WT1 H ATOM 14697 H2 TIP3 4497 54.691 34.048 -0.877 1.00 0.00 WT1 H ATOM 14698 OH2 TIP3 4499 31.957 34.146 28.083 1.00 0.00 WT1 O ATOM 14699 H1 TIP3 4499 31.020 34.286 27.946 1.00 0.00 WT1 H ATOM 14700 H2 TIP3 4499 32.360 34.392 27.250 1.00 0.00 WT1 H ATOM 14701 OH2 TIP3 4500 35.076 87.515 40.001 1.00 0.00 WT1 O ATOM 14702 H1 TIP3 4500 34.376 87.390 39.360 1.00 0.00 WT1 H ATOM 14703 H2 TIP3 4500 35.628 86.739 39.908 1.00 0.00 WT1 H ATOM 14704 OH2 TIP3 4501 29.473 30.774 45.061 1.00 0.00 WT1 O ATOM 14705 H1 TIP3 4501 29.255 31.052 44.171 1.00 0.00 WT1 H ATOM 14706 H2 TIP3 4501 30.421 30.893 45.124 1.00 0.00 WT1 H ATOM 14707 OH2 TIP3 4502 36.219 52.591 -12.120 1.00 0.00 WT1 O ATOM 14708 H1 TIP3 4502 36.527 51.700 -12.286 1.00 0.00 WT1 H ATOM 14709 H2 TIP3 4502 36.554 52.802 -11.248 1.00 0.00 WT1 H ATOM 14710 OH2 TIP3 4504 76.325 87.347 50.892 1.00 0.00 WT1 O ATOM 14711 H1 TIP3 4504 77.142 87.098 50.459 1.00 0.00 WT1 H ATOM 14712 H2 TIP3 4504 76.215 88.274 50.683 1.00 0.00 WT1 H ATOM 14713 OH2 TIP3 4505 74.565 56.456 17.844 1.00 0.00 WT1 O ATOM 14714 H1 TIP3 4505 75.364 55.943 17.961 1.00 0.00 WT1 H ATOM 14715 H2 TIP3 4505 73.988 55.889 17.332 1.00 0.00 WT1 H ATOM 14716 OH2 TIP3 4506 46.353 10.277 26.838 1.00 0.00 WT1 O ATOM 14717 H1 TIP3 4506 46.504 9.957 27.727 1.00 0.00 WT1 H ATOM 14718 H2 TIP3 4506 46.576 11.207 26.877 1.00 0.00 WT1 H ATOM 14719 OH2 TIP3 4507 36.219 73.627 -2.083 1.00 0.00 WT1 O ATOM 14720 H1 TIP3 4507 36.392 74.412 -2.604 1.00 0.00 WT1 H ATOM 14721 H2 TIP3 4507 37.004 73.091 -2.189 1.00 0.00 WT1 H ATOM 14722 OH2 TIP3 4508 53.397 54.284 -15.173 1.00 0.00 WT1 O ATOM 14723 H1 TIP3 4508 53.380 54.170 -16.123 1.00 0.00 WT1 H ATOM 14724 H2 TIP3 4508 53.738 53.455 -14.838 1.00 0.00 WT1 H ATOM 14725 OH2 TIP3 4509 29.313 4.914 4.547 1.00 0.00 WT1 O ATOM 14726 H1 TIP3 4509 29.856 4.383 5.131 1.00 0.00 WT1 H ATOM 14727 H2 TIP3 4509 28.468 4.465 4.532 1.00 0.00 WT1 H ATOM 14728 OH2 TIP3 4510 50.241 40.446 38.019 1.00 0.00 WT1 O ATOM 14729 H1 TIP3 4510 50.063 40.650 37.101 1.00 0.00 WT1 H ATOM 14730 H2 TIP3 4510 50.414 41.295 38.425 1.00 0.00 WT1 H ATOM 14731 OH2 TIP3 4511 55.351 6.580 43.615 1.00 0.00 WT1 O ATOM 14732 H1 TIP3 4511 55.882 6.654 44.408 1.00 0.00 WT1 H ATOM 14733 H2 TIP3 4511 54.727 7.303 43.675 1.00 0.00 WT1 H ATOM 14734 OH2 TIP3 4513 73.035 23.825 -11.345 1.00 0.00 WT1 O ATOM 14735 H1 TIP3 4513 73.290 23.066 -11.869 1.00 0.00 WT1 H ATOM 14736 H2 TIP3 4513 73.852 24.303 -11.201 1.00 0.00 WT1 H ATOM 14737 OH2 TIP3 4514 41.922 86.506 35.807 1.00 0.00 WT1 O ATOM 14738 H1 TIP3 4514 41.082 86.426 35.355 1.00 0.00 WT1 H ATOM 14739 H2 TIP3 4514 42.021 85.679 36.277 1.00 0.00 WT1 H ATOM 14740 OH2 TIP3 4515 61.452 3.375 19.550 1.00 0.00 WT1 O ATOM 14741 H1 TIP3 4515 61.787 4.264 19.438 1.00 0.00 WT1 H ATOM 14742 H2 TIP3 4515 62.236 2.827 19.599 1.00 0.00 WT1 H ATOM 14743 OH2 TIP3 4516 67.979 70.914 18.813 1.00 0.00 WT1 O ATOM 14744 H1 TIP3 4516 67.431 71.482 18.272 1.00 0.00 WT1 H ATOM 14745 H2 TIP3 4516 67.515 70.077 18.829 1.00 0.00 WT1 H ATOM 14746 OH2 TIP3 4517 53.075 89.311 65.482 1.00 0.00 WT1 O ATOM 14747 H1 TIP3 4517 53.734 88.634 65.634 1.00 0.00 WT1 H ATOM 14748 H2 TIP3 4517 52.656 89.057 64.659 1.00 0.00 WT1 H ATOM 14749 OH2 TIP3 4518 38.089 20.192 -0.187 1.00 0.00 WT1 O ATOM 14750 H1 TIP3 4518 38.303 19.451 -0.753 1.00 0.00 WT1 H ATOM 14751 H2 TIP3 4518 38.034 20.940 -0.782 1.00 0.00 WT1 H ATOM 14752 OH2 TIP3 4519 78.913 29.553 8.793 1.00 0.00 WT1 O ATOM 14753 H1 TIP3 4519 78.995 28.599 8.816 1.00 0.00 WT1 H ATOM 14754 H2 TIP3 4519 78.034 29.726 9.129 1.00 0.00 WT1 H ATOM 14755 OH2 TIP3 4520 28.702 89.218 -11.775 1.00 0.00 WT1 O ATOM 14756 H1 TIP3 4520 28.281 89.979 -11.377 1.00 0.00 WT1 H ATOM 14757 H2 TIP3 4520 28.798 89.452 -12.699 1.00 0.00 WT1 H ATOM 14758 OH2 TIP3 4521 31.301 36.629 -0.921 1.00 0.00 WT1 O ATOM 14759 H1 TIP3 4521 31.056 36.777 -1.835 1.00 0.00 WT1 H ATOM 14760 H2 TIP3 4521 31.836 37.388 -0.690 1.00 0.00 WT1 H ATOM 14761 OH2 TIP3 4522 67.356 48.148 11.607 1.00 0.00 WT1 O ATOM 14762 H1 TIP3 4522 67.547 47.217 11.722 1.00 0.00 WT1 H ATOM 14763 H2 TIP3 4522 66.558 48.293 12.116 1.00 0.00 WT1 H ATOM 14764 OH2 TIP3 4523 29.025 76.768 7.731 1.00 0.00 WT1 O ATOM 14765 H1 TIP3 4523 29.636 76.399 8.369 1.00 0.00 WT1 H ATOM 14766 H2 TIP3 4523 28.192 76.335 7.920 1.00 0.00 WT1 H ATOM 14767 OH2 TIP3 4524 83.543 32.070 44.682 1.00 0.00 WT1 O ATOM 14768 H1 TIP3 4524 84.329 31.728 45.107 1.00 0.00 WT1 H ATOM 14769 H2 TIP3 4524 83.363 31.449 43.976 1.00 0.00 WT1 H ATOM 14770 OH2 TIP3 4525 84.589 40.753 31.080 1.00 0.00 WT1 O ATOM 14771 H1 TIP3 4525 84.399 40.043 30.467 1.00 0.00 WT1 H ATOM 14772 H2 TIP3 4525 84.651 40.323 31.933 1.00 0.00 WT1 H ATOM 14773 OH2 TIP3 4526 20.841 28.129 49.402 1.00 0.00 WT1 O ATOM 14774 H1 TIP3 4526 21.011 28.954 48.947 1.00 0.00 WT1 H ATOM 14775 H2 TIP3 4526 20.808 27.473 48.706 1.00 0.00 WT1 H ATOM 14776 OH2 TIP3 4527 76.784 75.842 60.450 1.00 0.00 WT1 O ATOM 14777 H1 TIP3 4527 76.444 75.114 59.929 1.00 0.00 WT1 H ATOM 14778 H2 TIP3 4527 77.735 75.772 60.368 1.00 0.00 WT1 H ATOM 14779 OH2 TIP3 4528 61.670 16.179 40.641 1.00 0.00 WT1 O ATOM 14780 H1 TIP3 4528 60.926 16.458 40.108 1.00 0.00 WT1 H ATOM 14781 H2 TIP3 4528 62.269 15.765 40.020 1.00 0.00 WT1 H ATOM 14782 OH2 TIP3 4529 63.862 0.435 -10.450 1.00 0.00 WT1 O ATOM 14783 H1 TIP3 4529 63.098 0.086 -10.910 1.00 0.00 WT1 H ATOM 14784 H2 TIP3 4529 63.498 1.061 -9.823 1.00 0.00 WT1 H ATOM 14785 OH2 TIP3 4530 49.699 3.266 -1.691 1.00 0.00 WT1 O ATOM 14786 H1 TIP3 4530 49.751 3.149 -2.639 1.00 0.00 WT1 H ATOM 14787 H2 TIP3 4530 50.266 2.582 -1.333 1.00 0.00 WT1 H ATOM 14788 OH2 TIP3 4531 81.237 39.606 61.966 1.00 0.00 WT1 O ATOM 14789 H1 TIP3 4531 81.224 40.191 61.208 1.00 0.00 WT1 H ATOM 14790 H2 TIP3 4531 81.114 40.184 62.718 1.00 0.00 WT1 H ATOM 14791 OH2 TIP3 4532 57.241 75.817 30.926 1.00 0.00 WT1 O ATOM 14792 H1 TIP3 4532 56.913 74.936 31.106 1.00 0.00 WT1 H ATOM 14793 H2 TIP3 4532 56.465 76.314 30.669 1.00 0.00 WT1 H ATOM 14794 OH2 TIP3 4533 54.293 8.244 28.128 1.00 0.00 WT1 O ATOM 14795 H1 TIP3 4533 54.985 7.978 27.524 1.00 0.00 WT1 H ATOM 14796 H2 TIP3 4533 54.759 8.566 28.900 1.00 0.00 WT1 H ATOM 14797 OH2 TIP3 4534 40.601 15.593 17.286 1.00 0.00 WT1 O ATOM 14798 H1 TIP3 4534 41.031 15.559 16.431 1.00 0.00 WT1 H ATOM 14799 H2 TIP3 4534 40.523 16.528 17.478 1.00 0.00 WT1 H ATOM 14800 OH2 TIP3 4535 68.078 34.711 5.562 1.00 0.00 WT1 O ATOM 14801 H1 TIP3 4535 68.469 34.643 6.433 1.00 0.00 WT1 H ATOM 14802 H2 TIP3 4535 67.846 35.636 5.475 1.00 0.00 WT1 H ATOM 14803 OH2 TIP3 4536 50.824 0.257 1.040 1.00 0.00 WT1 O ATOM 14804 H1 TIP3 4536 50.471 0.896 1.658 1.00 0.00 WT1 H ATOM 14805 H2 TIP3 4536 51.159 -0.451 1.591 1.00 0.00 WT1 H ATOM 14806 OH2 TIP3 4537 37.839 83.664 6.801 1.00 0.00 WT1 O ATOM 14807 H1 TIP3 4537 38.277 84.103 7.529 1.00 0.00 WT1 H ATOM 14808 H2 TIP3 4537 37.559 82.822 7.161 1.00 0.00 WT1 H ATOM 14809 OH2 TIP3 4538 68.482 33.218 18.976 1.00 0.00 WT1 O ATOM 14810 H1 TIP3 4538 67.639 33.465 18.595 1.00 0.00 WT1 H ATOM 14811 H2 TIP3 4538 68.489 32.262 18.943 1.00 0.00 WT1 H ATOM 14812 OH2 TIP3 4539 61.914 6.807 4.107 1.00 0.00 WT1 O ATOM 14813 H1 TIP3 4539 61.292 7.484 4.372 1.00 0.00 WT1 H ATOM 14814 H2 TIP3 4539 61.535 6.430 3.313 1.00 0.00 WT1 H ATOM 14815 OH2 TIP3 4540 38.025 54.304 56.105 1.00 0.00 WT1 O ATOM 14816 H1 TIP3 4540 37.275 54.636 55.612 1.00 0.00 WT1 H ATOM 14817 H2 TIP3 4540 38.462 53.704 55.501 1.00 0.00 WT1 H ATOM 14818 OH2 TIP3 4541 84.728 93.218 21.771 1.00 0.00 WT1 O ATOM 14819 H1 TIP3 4541 84.629 92.268 21.837 1.00 0.00 WT1 H ATOM 14820 H2 TIP3 4541 84.096 93.479 21.102 1.00 0.00 WT1 H ATOM 14821 OH2 TIP3 4542 37.969 86.826 6.620 1.00 0.00 WT1 O ATOM 14822 H1 TIP3 4542 37.162 86.315 6.675 1.00 0.00 WT1 H ATOM 14823 H2 TIP3 4542 37.758 87.546 6.026 1.00 0.00 WT1 H ATOM 14824 OH2 TIP3 4544 38.582 19.628 54.601 1.00 0.00 WT1 O ATOM 14825 H1 TIP3 4544 38.093 20.335 54.179 1.00 0.00 WT1 H ATOM 14826 H2 TIP3 4544 39.487 19.760 54.317 1.00 0.00 WT1 H ATOM 14827 OH2 TIP3 4545 74.342 28.277 -5.353 1.00 0.00 WT1 O ATOM 14828 H1 TIP3 4545 73.454 28.618 -5.466 1.00 0.00 WT1 H ATOM 14829 H2 TIP3 4545 74.610 28.588 -4.488 1.00 0.00 WT1 H ATOM 14830 OH2 TIP3 4546 78.508 28.498 1.135 1.00 0.00 WT1 O ATOM 14831 H1 TIP3 4546 77.602 28.687 0.889 1.00 0.00 WT1 H ATOM 14832 H2 TIP3 4546 78.447 28.150 2.025 1.00 0.00 WT1 H ATOM 14833 OH2 TIP3 4547 39.400 60.400 52.344 1.00 0.00 WT1 O ATOM 14834 H1 TIP3 4547 39.581 60.750 51.472 1.00 0.00 WT1 H ATOM 14835 H2 TIP3 4547 39.397 59.450 52.226 1.00 0.00 WT1 H ATOM 14836 OH2 TIP3 4548 55.216 90.271 24.984 1.00 0.00 WT1 O ATOM 14837 H1 TIP3 4548 54.781 89.690 24.359 1.00 0.00 WT1 H ATOM 14838 H2 TIP3 4548 55.139 91.142 24.595 1.00 0.00 WT1 H ATOM 14839 OH2 TIP3 4549 32.005 18.304 64.639 1.00 0.00 WT1 O ATOM 14840 H1 TIP3 4549 32.772 18.696 64.221 1.00 0.00 WT1 H ATOM 14841 H2 TIP3 4549 31.816 18.879 65.380 1.00 0.00 WT1 H ATOM 14842 OH2 TIP3 4550 33.909 7.025 40.812 1.00 0.00 WT1 O ATOM 14843 H1 TIP3 4550 34.466 7.803 40.840 1.00 0.00 WT1 H ATOM 14844 H2 TIP3 4550 34.504 6.312 40.579 1.00 0.00 WT1 H ATOM 14845 OH2 TIP3 4552 60.181 14.055 26.774 1.00 0.00 WT1 O ATOM 14846 H1 TIP3 4552 61.090 13.879 26.528 1.00 0.00 WT1 H ATOM 14847 H2 TIP3 4552 60.205 14.924 27.173 1.00 0.00 WT1 H ATOM 14848 OH2 TIP3 4553 86.567 28.246 -16.685 1.00 0.00 WT1 O ATOM 14849 H1 TIP3 4553 86.313 29.139 -16.921 1.00 0.00 WT1 H ATOM 14850 H2 TIP3 4553 85.991 27.687 -17.207 1.00 0.00 WT1 H ATOM 14851 OH2 TIP3 4554 64.337 11.192 13.335 1.00 0.00 WT1 O ATOM 14852 H1 TIP3 4554 64.722 10.318 13.407 1.00 0.00 WT1 H ATOM 14853 H2 TIP3 4554 63.401 11.055 13.478 1.00 0.00 WT1 H ATOM 14854 OH2 TIP3 4555 25.657 6.506 10.184 1.00 0.00 WT1 O ATOM 14855 H1 TIP3 4555 26.340 7.116 10.463 1.00 0.00 WT1 H ATOM 14856 H2 TIP3 4555 25.759 5.750 10.762 1.00 0.00 WT1 H ATOM 14857 OH2 TIP3 4556 42.006 33.661 -18.299 1.00 0.00 WT1 O ATOM 14858 H1 TIP3 4556 42.723 33.772 -17.674 1.00 0.00 WT1 H ATOM 14859 H2 TIP3 4556 41.968 32.717 -18.455 1.00 0.00 WT1 H ATOM 14860 OH2 TIP3 4557 81.509 23.723 9.827 1.00 0.00 WT1 O ATOM 14861 H1 TIP3 4557 81.832 24.065 8.993 1.00 0.00 WT1 H ATOM 14862 H2 TIP3 4557 80.732 24.250 10.017 1.00 0.00 WT1 H ATOM 14863 OH2 TIP3 4558 62.890 29.106 -0.358 1.00 0.00 WT1 O ATOM 14864 H1 TIP3 4558 62.768 28.539 0.404 1.00 0.00 WT1 H ATOM 14865 H2 TIP3 4558 62.884 29.993 -0.000 1.00 0.00 WT1 H ATOM 14866 OH2 TIP3 4559 75.219 91.582 25.461 1.00 0.00 WT1 O ATOM 14867 H1 TIP3 4559 74.280 91.475 25.309 1.00 0.00 WT1 H ATOM 14868 H2 TIP3 4559 75.451 92.376 24.980 1.00 0.00 WT1 H ATOM 14869 OH2 TIP3 4560 56.194 16.879 10.756 1.00 0.00 WT1 O ATOM 14870 H1 TIP3 4560 55.290 16.589 10.627 1.00 0.00 WT1 H ATOM 14871 H2 TIP3 4560 56.580 16.856 9.881 1.00 0.00 WT1 H ATOM 14872 OH2 TIP3 4561 24.549 33.461 -17.354 1.00 0.00 WT1 O ATOM 14873 H1 TIP3 4561 23.688 33.795 -17.100 1.00 0.00 WT1 H ATOM 14874 H2 TIP3 4561 24.359 32.699 -17.900 1.00 0.00 WT1 H ATOM 14875 OH2 TIP3 4562 21.764 95.601 42.203 1.00 0.00 WT1 O ATOM 14876 H1 TIP3 4562 21.355 95.282 41.399 1.00 0.00 WT1 H ATOM 14877 H2 TIP3 4562 22.008 94.808 42.679 1.00 0.00 WT1 H ATOM 14878 OH2 TIP3 4563 69.195 43.630 56.619 1.00 0.00 WT1 O ATOM 14879 H1 TIP3 4563 69.517 44.179 57.334 1.00 0.00 WT1 H ATOM 14880 H2 TIP3 4563 68.461 44.122 56.251 1.00 0.00 WT1 H ATOM 14881 OH2 TIP3 4564 30.344 64.709 -9.518 1.00 0.00 WT1 O ATOM 14882 H1 TIP3 4564 29.843 64.806 -8.708 1.00 0.00 WT1 H ATOM 14883 H2 TIP3 4564 31.259 64.737 -9.239 1.00 0.00 WT1 H ATOM 14884 OH2 TIP3 4565 36.215 45.526 0.039 1.00 0.00 WT1 O ATOM 14885 H1 TIP3 4565 36.999 45.949 0.391 1.00 0.00 WT1 H ATOM 14886 H2 TIP3 4565 35.498 45.867 0.574 1.00 0.00 WT1 H ATOM 14887 OH2 TIP3 4569 21.875 4.912 -1.677 1.00 0.00 WT1 O ATOM 14888 H1 TIP3 4569 22.772 4.584 -1.609 1.00 0.00 WT1 H ATOM 14889 H2 TIP3 4569 21.974 5.822 -1.958 1.00 0.00 WT1 H ATOM 14890 OH2 TIP3 4570 80.639 54.709 62.495 1.00 0.00 WT1 O ATOM 14891 H1 TIP3 4570 81.085 55.273 61.864 1.00 0.00 WT1 H ATOM 14892 H2 TIP3 4570 80.046 55.296 62.964 1.00 0.00 WT1 H ATOM 14893 OH2 TIP3 4571 85.106 4.258 11.238 1.00 0.00 WT1 O ATOM 14894 H1 TIP3 4571 85.383 5.174 11.258 1.00 0.00 WT1 H ATOM 14895 H2 TIP3 4571 85.888 3.766 11.485 1.00 0.00 WT1 H ATOM 14896 OH2 TIP3 4573 57.397 36.877 11.184 1.00 0.00 WT1 O ATOM 14897 H1 TIP3 4573 57.688 37.374 11.948 1.00 0.00 WT1 H ATOM 14898 H2 TIP3 4573 56.446 36.987 11.174 1.00 0.00 WT1 H ATOM 14899 OH2 TIP3 4574 35.700 19.727 -14.702 1.00 0.00 WT1 O ATOM 14900 H1 TIP3 4574 35.336 19.002 -14.193 1.00 0.00 WT1 H ATOM 14901 H2 TIP3 4574 34.958 20.062 -15.206 1.00 0.00 WT1 H ATOM 14902 OH2 TIP3 4575 23.478 56.252 20.998 1.00 0.00 WT1 O ATOM 14903 H1 TIP3 4575 23.760 55.581 20.376 1.00 0.00 WT1 H ATOM 14904 H2 TIP3 4575 24.145 56.239 21.684 1.00 0.00 WT1 H ATOM 14905 OH2 TIP3 4576 41.559 12.482 37.651 1.00 0.00 WT1 O ATOM 14906 H1 TIP3 4576 40.860 13.112 37.472 1.00 0.00 WT1 H ATOM 14907 H2 TIP3 4576 42.342 13.020 37.767 1.00 0.00 WT1 H ATOM 14908 OH2 TIP3 4577 87.053 87.315 15.003 1.00 0.00 WT1 O ATOM 14909 H1 TIP3 4577 87.427 88.195 15.059 1.00 0.00 WT1 H ATOM 14910 H2 TIP3 4577 87.809 86.741 14.882 1.00 0.00 WT1 H ATOM 14911 OH2 TIP3 4578 48.920 33.921 64.657 1.00 0.00 WT1 O ATOM 14912 H1 TIP3 4578 49.857 33.728 64.692 1.00 0.00 WT1 H ATOM 14913 H2 TIP3 4578 48.786 34.586 65.332 1.00 0.00 WT1 H ATOM 14914 OH2 TIP3 4579 47.710 22.616 1.749 1.00 0.00 WT1 O ATOM 14915 H1 TIP3 4579 47.171 23.178 1.192 1.00 0.00 WT1 H ATOM 14916 H2 TIP3 4579 48.510 23.120 1.895 1.00 0.00 WT1 H ATOM 14917 OH2 TIP3 4580 48.816 7.351 49.347 1.00 0.00 WT1 O ATOM 14918 H1 TIP3 4580 48.806 8.273 49.602 1.00 0.00 WT1 H ATOM 14919 H2 TIP3 4580 47.988 7.001 49.677 1.00 0.00 WT1 H ATOM 14920 OH2 TIP3 4581 54.787 35.107 39.052 1.00 0.00 WT1 O ATOM 14921 H1 TIP3 4581 55.555 35.679 39.046 1.00 0.00 WT1 H ATOM 14922 H2 TIP3 4581 54.586 34.966 38.127 1.00 0.00 WT1 H ATOM 14923 OH2 TIP3 4582 57.164 44.464 41.814 1.00 0.00 WT1 O ATOM 14924 H1 TIP3 4582 56.235 44.428 41.584 1.00 0.00 WT1 H ATOM 14925 H2 TIP3 4582 57.397 45.388 41.728 1.00 0.00 WT1 H ATOM 14926 OH2 TIP3 4583 87.992 54.187 16.833 1.00 0.00 WT1 O ATOM 14927 H1 TIP3 4583 87.047 54.236 16.688 1.00 0.00 WT1 H ATOM 14928 H2 TIP3 4583 88.150 53.277 17.083 1.00 0.00 WT1 H ATOM 14929 OH2 TIP3 4584 50.994 2.635 -13.813 1.00 0.00 WT1 O ATOM 14930 H1 TIP3 4584 50.217 3.125 -13.545 1.00 0.00 WT1 H ATOM 14931 H2 TIP3 4584 51.669 2.891 -13.184 1.00 0.00 WT1 H ATOM 14932 OH2 TIP3 4586 72.690 7.782 55.311 1.00 0.00 WT1 O ATOM 14933 H1 TIP3 4586 72.873 7.873 54.376 1.00 0.00 WT1 H ATOM 14934 H2 TIP3 4586 72.295 8.618 55.560 1.00 0.00 WT1 H ATOM 14935 OH2 TIP3 4588 47.732 58.906 55.409 1.00 0.00 WT1 O ATOM 14936 H1 TIP3 4588 47.995 58.122 54.927 1.00 0.00 WT1 H ATOM 14937 H2 TIP3 4588 47.179 59.391 54.796 1.00 0.00 WT1 H ATOM 14938 OH2 TIP3 4589 41.611 52.353 56.109 1.00 0.00 WT1 O ATOM 14939 H1 TIP3 4589 41.490 52.969 56.831 1.00 0.00 WT1 H ATOM 14940 H2 TIP3 4589 40.793 52.397 55.615 1.00 0.00 WT1 H ATOM 14941 OH2 TIP3 4591 77.873 59.488 31.498 1.00 0.00 WT1 O ATOM 14942 H1 TIP3 4591 78.143 60.157 32.127 1.00 0.00 WT1 H ATOM 14943 H2 TIP3 4591 77.322 59.956 30.872 1.00 0.00 WT1 H ATOM 14944 OH2 TIP3 4594 41.095 15.322 8.687 1.00 0.00 WT1 O ATOM 14945 H1 TIP3 4594 41.643 14.609 8.360 1.00 0.00 WT1 H ATOM 14946 H2 TIP3 4594 41.654 15.791 9.306 1.00 0.00 WT1 H ATOM 14947 OH2 TIP3 4596 79.778 93.782 24.485 1.00 0.00 WT1 O ATOM 14948 H1 TIP3 4596 78.960 94.043 24.907 1.00 0.00 WT1 H ATOM 14949 H2 TIP3 4596 80.260 94.600 24.369 1.00 0.00 WT1 H ATOM 14950 OH2 TIP3 4597 82.896 62.863 55.714 1.00 0.00 WT1 O ATOM 14951 H1 TIP3 4597 82.456 62.104 55.332 1.00 0.00 WT1 H ATOM 14952 H2 TIP3 4597 83.461 63.191 55.014 1.00 0.00 WT1 H ATOM 14953 OH2 TIP3 4598 41.887 45.489 38.270 1.00 0.00 WT1 O ATOM 14954 H1 TIP3 4598 41.365 45.830 37.543 1.00 0.00 WT1 H ATOM 14955 H2 TIP3 4598 42.716 45.229 37.869 1.00 0.00 WT1 H ATOM 14956 OH2 TIP3 4599 38.856 96.261 5.582 1.00 0.00 WT1 O ATOM 14957 H1 TIP3 4599 38.640 96.518 6.479 1.00 0.00 WT1 H ATOM 14958 H2 TIP3 4599 38.085 95.783 5.277 1.00 0.00 WT1 H ATOM 14959 OH2 TIP3 4600 69.620 52.184 17.429 1.00 0.00 WT1 O ATOM 14960 H1 TIP3 4600 69.053 52.851 17.815 1.00 0.00 WT1 H ATOM 14961 H2 TIP3 4600 69.276 51.355 17.761 1.00 0.00 WT1 H ATOM 14962 OH2 TIP3 4601 25.895 74.002 21.757 1.00 0.00 WT1 O ATOM 14963 H1 TIP3 4601 25.316 73.239 21.779 1.00 0.00 WT1 H ATOM 14964 H2 TIP3 4601 26.357 73.927 20.922 1.00 0.00 WT1 H ATOM 14965 OH2 TIP3 4602 74.392 47.249 -9.074 1.00 0.00 WT1 O ATOM 14966 H1 TIP3 4602 73.536 47.033 -8.705 1.00 0.00 WT1 H ATOM 14967 H2 TIP3 4602 74.895 47.586 -8.333 1.00 0.00 WT1 H ATOM 14968 OH2 TIP3 4603 80.321 60.416 -16.897 1.00 0.00 WT1 O ATOM 14969 H1 TIP3 4603 80.402 61.288 -16.512 1.00 0.00 WT1 H ATOM 14970 H2 TIP3 4603 80.914 59.869 -16.382 1.00 0.00 WT1 H ATOM 14971 OH2 TIP3 4605 56.874 15.185 -16.831 1.00 0.00 WT1 O ATOM 14972 H1 TIP3 4605 56.537 14.432 -17.316 1.00 0.00 WT1 H ATOM 14973 H2 TIP3 4605 57.346 15.700 -17.486 1.00 0.00 WT1 H ATOM 14974 OH2 TIP3 4606 89.166 19.372 45.312 1.00 0.00 WT1 O ATOM 14975 H1 TIP3 4606 88.763 19.910 44.631 1.00 0.00 WT1 H ATOM 14976 H2 TIP3 4606 88.484 18.747 45.558 1.00 0.00 WT1 H ATOM 14977 OH2 TIP3 4607 60.161 2.327 30.991 1.00 0.00 WT1 O ATOM 14978 H1 TIP3 4607 61.055 2.486 30.687 1.00 0.00 WT1 H ATOM 14979 H2 TIP3 4607 60.134 1.388 31.173 1.00 0.00 WT1 H ATOM 14980 OH2 TIP3 4609 29.591 43.212 24.285 1.00 0.00 WT1 O ATOM 14981 H1 TIP3 4609 30.382 42.804 24.638 1.00 0.00 WT1 H ATOM 14982 H2 TIP3 4609 29.905 44.001 23.844 1.00 0.00 WT1 H ATOM 14983 OH2 TIP3 4610 44.468 64.803 -12.471 1.00 0.00 WT1 O ATOM 14984 H1 TIP3 4610 45.193 65.362 -12.749 1.00 0.00 WT1 H ATOM 14985 H2 TIP3 4610 44.395 64.955 -11.529 1.00 0.00 WT1 H ATOM 14986 OH2 TIP3 4612 62.348 82.210 15.008 1.00 0.00 WT1 O ATOM 14987 H1 TIP3 4612 62.060 82.787 15.716 1.00 0.00 WT1 H ATOM 14988 H2 TIP3 4612 62.647 81.416 15.453 1.00 0.00 WT1 H ATOM 14989 OH2 TIP3 4616 80.386 65.644 25.302 1.00 0.00 WT1 O ATOM 14990 H1 TIP3 4616 80.820 64.930 25.770 1.00 0.00 WT1 H ATOM 14991 H2 TIP3 4616 81.013 65.904 24.627 1.00 0.00 WT1 H ATOM 14992 OH2 TIP3 4619 30.130 15.741 10.031 1.00 0.00 WT1 O ATOM 14993 H1 TIP3 4619 29.688 16.278 10.689 1.00 0.00 WT1 H ATOM 14994 H2 TIP3 4619 30.738 15.198 10.532 1.00 0.00 WT1 H ATOM 14995 OH2 TIP3 4620 33.222 74.521 46.890 1.00 0.00 WT1 O ATOM 14996 H1 TIP3 4620 32.411 74.083 47.151 1.00 0.00 WT1 H ATOM 14997 H2 TIP3 4620 33.858 73.813 46.798 1.00 0.00 WT1 H ATOM 14998 OH2 TIP3 4621 72.840 44.814 3.239 1.00 0.00 WT1 O ATOM 14999 H1 TIP3 4621 73.051 44.107 3.848 1.00 0.00 WT1 H ATOM 15000 H2 TIP3 4621 72.362 45.452 3.769 1.00 0.00 WT1 H ATOM 15001 OH2 TIP3 4622 24.007 39.955 11.130 1.00 0.00 WT1 O ATOM 15002 H1 TIP3 4622 23.719 40.850 10.951 1.00 0.00 WT1 H ATOM 15003 H2 TIP3 4622 23.515 39.695 11.908 1.00 0.00 WT1 H ATOM 15004 OH2 TIP3 4623 60.382 93.584 -16.747 1.00 0.00 WT1 O ATOM 15005 H1 TIP3 4623 60.185 93.509 -17.681 1.00 0.00 WT1 H ATOM 15006 H2 TIP3 4623 60.974 94.334 -16.686 1.00 0.00 WT1 H ATOM 15007 OH2 TIP3 4624 67.694 19.419 9.751 1.00 0.00 WT1 O ATOM 15008 H1 TIP3 4624 68.496 19.624 10.231 1.00 0.00 WT1 H ATOM 15009 H2 TIP3 4624 67.102 20.144 9.951 1.00 0.00 WT1 H ATOM 15010 OH2 TIP3 4625 40.114 51.565 -4.147 1.00 0.00 WT1 O ATOM 15011 H1 TIP3 4625 40.405 52.462 -4.311 1.00 0.00 WT1 H ATOM 15012 H2 TIP3 4625 40.701 51.023 -4.673 1.00 0.00 WT1 H ATOM 15013 OH2 TIP3 4626 51.828 27.861 36.829 1.00 0.00 WT1 O ATOM 15014 H1 TIP3 4626 52.125 27.939 35.922 1.00 0.00 WT1 H ATOM 15015 H2 TIP3 4626 51.495 28.732 37.047 1.00 0.00 WT1 H ATOM 15016 OH2 TIP3 4627 58.473 56.646 62.631 1.00 0.00 WT1 O ATOM 15017 H1 TIP3 4627 58.838 57.513 62.813 1.00 0.00 WT1 H ATOM 15018 H2 TIP3 4627 57.845 56.794 61.924 1.00 0.00 WT1 H ATOM 15019 OH2 TIP3 4628 43.711 9.643 29.400 1.00 0.00 WT1 O ATOM 15020 H1 TIP3 4628 44.653 9.800 29.466 1.00 0.00 WT1 H ATOM 15021 H2 TIP3 4628 43.313 10.348 29.911 1.00 0.00 WT1 H ATOM 15022 OH2 TIP3 4629 50.221 46.520 2.480 1.00 0.00 WT1 O ATOM 15023 H1 TIP3 4629 50.710 45.766 2.809 1.00 0.00 WT1 H ATOM 15024 H2 TIP3 4629 50.895 47.143 2.208 1.00 0.00 WT1 H ATOM 15025 OH2 TIP3 4631 30.655 28.841 42.534 1.00 0.00 WT1 O ATOM 15026 H1 TIP3 4631 31.234 28.509 43.220 1.00 0.00 WT1 H ATOM 15027 H2 TIP3 4631 30.068 28.110 42.342 1.00 0.00 WT1 H ATOM 15028 OH2 TIP3 4632 50.935 94.924 21.842 1.00 0.00 WT1 O ATOM 15029 H1 TIP3 4632 50.615 94.057 21.594 1.00 0.00 WT1 H ATOM 15030 H2 TIP3 4632 50.319 95.533 21.433 1.00 0.00 WT1 H ATOM 15031 OH2 TIP3 4633 35.629 12.457 8.386 1.00 0.00 WT1 O ATOM 15032 H1 TIP3 4633 36.027 13.142 7.850 1.00 0.00 WT1 H ATOM 15033 H2 TIP3 4633 36.320 12.197 8.996 1.00 0.00 WT1 H ATOM 15034 OH2 TIP3 4637 23.820 50.882 -7.574 1.00 0.00 WT1 O ATOM 15035 H1 TIP3 4637 23.208 50.175 -7.776 1.00 0.00 WT1 H ATOM 15036 H2 TIP3 4637 23.406 51.667 -7.931 1.00 0.00 WT1 H ATOM 15037 OH2 TIP3 4638 64.173 96.171 -14.256 1.00 0.00 WT1 O ATOM 15038 H1 TIP3 4638 64.135 95.310 -13.839 1.00 0.00 WT1 H ATOM 15039 H2 TIP3 4638 63.771 96.040 -15.115 1.00 0.00 WT1 H ATOM 15040 OH2 TIP3 4639 70.279 12.372 41.305 1.00 0.00 WT1 O ATOM 15041 H1 TIP3 4639 70.330 11.604 40.736 1.00 0.00 WT1 H ATOM 15042 H2 TIP3 4639 69.953 12.033 42.138 1.00 0.00 WT1 H ATOM 15043 OH2 TIP3 4640 80.095 31.761 48.564 1.00 0.00 WT1 O ATOM 15044 H1 TIP3 4640 80.691 32.227 49.151 1.00 0.00 WT1 H ATOM 15045 H2 TIP3 4640 80.180 30.842 48.815 1.00 0.00 WT1 H ATOM 15046 OH2 TIP3 4641 61.662 19.467 13.178 1.00 0.00 WT1 O ATOM 15047 H1 TIP3 4641 61.715 19.113 12.291 1.00 0.00 WT1 H ATOM 15048 H2 TIP3 4641 60.766 19.280 13.458 1.00 0.00 WT1 H ATOM 15049 OH2 TIP3 4643 26.607 30.190 -17.624 1.00 0.00 WT1 O ATOM 15050 H1 TIP3 4643 25.767 30.557 -17.900 1.00 0.00 WT1 H ATOM 15051 H2 TIP3 4643 26.842 30.691 -16.843 1.00 0.00 WT1 H ATOM 15052 OH2 TIP3 4645 21.035 17.291 66.692 1.00 0.00 WT1 O ATOM 15053 H1 TIP3 4645 20.234 17.507 67.170 1.00 0.00 WT1 H ATOM 15054 H2 TIP3 4645 21.400 18.140 66.441 1.00 0.00 WT1 H ATOM 15055 OH2 TIP3 4647 35.493 36.129 14.470 1.00 0.00 WT1 O ATOM 15056 H1 TIP3 4647 35.455 36.802 13.791 1.00 0.00 WT1 H ATOM 15057 H2 TIP3 4647 35.589 36.618 15.287 1.00 0.00 WT1 H ATOM 15058 OH2 TIP3 4648 53.401 45.211 43.271 1.00 0.00 WT1 O ATOM 15059 H1 TIP3 4648 52.987 44.883 42.473 1.00 0.00 WT1 H ATOM 15060 H2 TIP3 4648 52.676 45.344 43.881 1.00 0.00 WT1 H ATOM 15061 OH2 TIP3 4649 58.718 56.181 -19.457 1.00 0.00 WT1 O ATOM 15062 H1 TIP3 4649 59.150 57.033 -19.518 1.00 0.00 WT1 H ATOM 15063 H2 TIP3 4649 58.190 56.236 -18.661 1.00 0.00 WT1 H ATOM 15064 OH2 TIP3 4650 27.900 37.789 22.893 1.00 0.00 WT1 O ATOM 15065 H1 TIP3 4650 28.575 38.343 23.286 1.00 0.00 WT1 H ATOM 15066 H2 TIP3 4650 27.725 38.191 22.042 1.00 0.00 WT1 H ATOM 15067 OH2 TIP3 4653 30.753 84.399 13.998 1.00 0.00 WT1 O ATOM 15068 H1 TIP3 4653 31.401 83.991 13.424 1.00 0.00 WT1 H ATOM 15069 H2 TIP3 4653 31.271 84.906 14.623 1.00 0.00 WT1 H ATOM 15070 OH2 TIP3 4654 29.487 77.033 32.100 1.00 0.00 WT1 O ATOM 15071 H1 TIP3 4654 29.319 76.659 31.235 1.00 0.00 WT1 H ATOM 15072 H2 TIP3 4654 29.868 77.892 31.920 1.00 0.00 WT1 H ATOM 15073 OH2 TIP3 4656 38.323 56.157 -16.234 1.00 0.00 WT1 O ATOM 15074 H1 TIP3 4656 38.796 55.419 -15.850 1.00 0.00 WT1 H ATOM 15075 H2 TIP3 4656 38.800 56.356 -17.040 1.00 0.00 WT1 H ATOM 15076 OH2 TIP3 4657 43.028 19.535 47.018 1.00 0.00 WT1 O ATOM 15077 H1 TIP3 4657 42.437 19.227 46.331 1.00 0.00 WT1 H ATOM 15078 H2 TIP3 4657 43.789 19.872 46.546 1.00 0.00 WT1 H ATOM 15079 OH2 TIP3 4658 56.495 42.647 -8.743 1.00 0.00 WT1 O ATOM 15080 H1 TIP3 4658 55.770 42.801 -8.138 1.00 0.00 WT1 H ATOM 15081 H2 TIP3 4658 56.835 43.520 -8.939 1.00 0.00 WT1 H ATOM 15082 OH2 TIP3 4660 70.737 36.056 16.894 1.00 0.00 WT1 O ATOM 15083 H1 TIP3 4660 70.773 35.942 15.944 1.00 0.00 WT1 H ATOM 15084 H2 TIP3 4660 69.805 36.015 17.106 1.00 0.00 WT1 H ATOM 15085 OH2 TIP3 4661 35.891 50.411 49.888 1.00 0.00 WT1 O ATOM 15086 H1 TIP3 4661 36.710 50.903 49.944 1.00 0.00 WT1 H ATOM 15087 H2 TIP3 4661 35.303 50.979 49.390 1.00 0.00 WT1 H ATOM 15088 OH2 TIP3 4662 20.992 61.317 30.378 1.00 0.00 WT1 O ATOM 15089 H1 TIP3 4662 21.505 62.124 30.323 1.00 0.00 WT1 H ATOM 15090 H2 TIP3 4662 20.203 61.567 30.858 1.00 0.00 WT1 H ATOM 15091 OH2 TIP3 4663 23.079 1.055 53.702 1.00 0.00 WT1 O ATOM 15092 H1 TIP3 4663 23.836 1.121 53.121 1.00 0.00 WT1 H ATOM 15093 H2 TIP3 4663 22.342 1.361 53.173 1.00 0.00 WT1 H ATOM 15094 OH2 TIP3 4664 30.702 47.338 -11.047 1.00 0.00 WT1 O ATOM 15095 H1 TIP3 4664 31.423 47.798 -11.476 1.00 0.00 WT1 H ATOM 15096 H2 TIP3 4664 29.914 47.681 -11.470 1.00 0.00 WT1 H ATOM 15097 OH2 TIP3 4665 65.857 69.181 50.290 1.00 0.00 WT1 O ATOM 15098 H1 TIP3 4665 65.816 69.318 49.343 1.00 0.00 WT1 H ATOM 15099 H2 TIP3 4665 65.169 69.744 50.644 1.00 0.00 WT1 H ATOM 15100 OH2 TIP3 4666 61.866 36.066 16.641 1.00 0.00 WT1 O ATOM 15101 H1 TIP3 4666 61.091 35.504 16.662 1.00 0.00 WT1 H ATOM 15102 H2 TIP3 4666 61.515 36.955 16.578 1.00 0.00 WT1 H ATOM 15103 OH2 TIP3 4667 88.837 5.244 64.194 1.00 0.00 WT1 O ATOM 15104 H1 TIP3 4667 87.887 5.342 64.253 1.00 0.00 WT1 H ATOM 15105 H2 TIP3 4667 89.114 5.948 63.608 1.00 0.00 WT1 H ATOM 15106 OH2 TIP3 4668 78.362 61.586 65.999 1.00 0.00 WT1 O ATOM 15107 H1 TIP3 4668 78.273 61.883 66.905 1.00 0.00 WT1 H ATOM 15108 H2 TIP3 4668 77.564 61.085 65.831 1.00 0.00 WT1 H ATOM 15109 OH2 TIP3 4669 54.081 39.841 11.046 1.00 0.00 WT1 O ATOM 15110 H1 TIP3 4669 53.833 39.293 11.791 1.00 0.00 WT1 H ATOM 15111 H2 TIP3 4669 53.460 40.569 11.068 1.00 0.00 WT1 H ATOM 15112 OH2 TIP3 4670 72.814 47.169 12.994 1.00 0.00 WT1 O ATOM 15113 H1 TIP3 4670 73.302 46.826 13.743 1.00 0.00 WT1 H ATOM 15114 H2 TIP3 4670 71.991 47.484 13.368 1.00 0.00 WT1 H ATOM 15115 OH2 TIP3 4672 64.970 47.539 22.849 1.00 0.00 WT1 O ATOM 15116 H1 TIP3 4672 64.440 48.266 22.522 1.00 0.00 WT1 H ATOM 15117 H2 TIP3 4672 64.608 46.765 22.419 1.00 0.00 WT1 H ATOM 15118 OH2 TIP3 4673 31.655 72.542 13.920 1.00 0.00 WT1 O ATOM 15119 H1 TIP3 4673 32.522 72.220 14.168 1.00 0.00 WT1 H ATOM 15120 H2 TIP3 4673 31.533 73.331 14.448 1.00 0.00 WT1 H ATOM 15121 OH2 TIP3 4679 67.214 23.229 42.218 1.00 0.00 WT1 O ATOM 15122 H1 TIP3 4679 66.833 24.108 42.228 1.00 0.00 WT1 H ATOM 15123 H2 TIP3 4679 68.068 23.333 42.639 1.00 0.00 WT1 H ATOM 15124 OH2 TIP3 4680 80.606 5.021 40.395 1.00 0.00 WT1 O ATOM 15125 H1 TIP3 4680 80.869 5.941 40.402 1.00 0.00 WT1 H ATOM 15126 H2 TIP3 4680 80.196 4.883 41.249 1.00 0.00 WT1 H ATOM 15127 OH2 TIP3 4681 78.698 56.295 63.494 1.00 0.00 WT1 O ATOM 15128 H1 TIP3 4681 77.922 55.741 63.415 1.00 0.00 WT1 H ATOM 15129 H2 TIP3 4681 78.364 57.133 63.813 1.00 0.00 WT1 H ATOM 15130 OH2 TIP3 4682 74.481 44.300 64.940 1.00 0.00 WT1 O ATOM 15131 H1 TIP3 4682 73.590 44.329 65.289 1.00 0.00 WT1 H ATOM 15132 H2 TIP3 4682 74.433 44.786 64.117 1.00 0.00 WT1 H ATOM 15133 OH2 TIP3 4683 47.494 2.763 29.289 1.00 0.00 WT1 O ATOM 15134 H1 TIP3 4683 46.870 2.230 29.782 1.00 0.00 WT1 H ATOM 15135 H2 TIP3 4683 47.469 2.404 28.403 1.00 0.00 WT1 H ATOM 15136 OH2 TIP3 4684 68.060 76.309 19.810 1.00 0.00 WT1 O ATOM 15137 H1 TIP3 4684 68.249 76.801 19.011 1.00 0.00 WT1 H ATOM 15138 H2 TIP3 4684 67.605 75.523 19.507 1.00 0.00 WT1 H ATOM 15139 OH2 TIP3 4685 32.000 68.143 1.805 1.00 0.00 WT1 O ATOM 15140 H1 TIP3 4685 31.477 68.857 2.169 1.00 0.00 WT1 H ATOM 15141 H2 TIP3 4685 32.736 68.579 1.376 1.00 0.00 WT1 H ATOM 15142 OH2 TIP3 4686 35.102 3.585 -20.145 1.00 0.00 WT1 O ATOM 15143 H1 TIP3 4686 35.748 4.207 -19.812 1.00 0.00 WT1 H ATOM 15144 H2 TIP3 4686 34.519 3.423 -19.402 1.00 0.00 WT1 H ATOM 15145 OH2 TIP3 4687 83.909 3.218 38.737 1.00 0.00 WT1 O ATOM 15146 H1 TIP3 4687 83.296 2.523 38.498 1.00 0.00 WT1 H ATOM 15147 H2 TIP3 4687 84.411 2.855 39.467 1.00 0.00 WT1 H ATOM 15148 OH2 TIP3 4690 40.536 20.606 -3.388 1.00 0.00 WT1 O ATOM 15149 H1 TIP3 4690 40.877 19.734 -3.193 1.00 0.00 WT1 H ATOM 15150 H2 TIP3 4690 40.804 21.142 -2.641 1.00 0.00 WT1 H ATOM 15151 OH2 TIP3 4691 32.857 56.897 22.223 1.00 0.00 WT1 O ATOM 15152 H1 TIP3 4691 33.501 56.195 22.129 1.00 0.00 WT1 H ATOM 15153 H2 TIP3 4691 33.218 57.624 21.716 1.00 0.00 WT1 H ATOM 15154 OH2 TIP3 4694 39.004 59.050 48.000 1.00 0.00 WT1 O ATOM 15155 H1 TIP3 4694 39.523 59.551 48.629 1.00 0.00 WT1 H ATOM 15156 H2 TIP3 4694 39.627 58.810 47.313 1.00 0.00 WT1 H ATOM 15157 OH2 TIP3 4701 43.800 6.825 28.628 1.00 0.00 WT1 O ATOM 15158 H1 TIP3 4701 42.934 6.735 29.025 1.00 0.00 WT1 H ATOM 15159 H2 TIP3 4701 44.091 7.701 28.882 1.00 0.00 WT1 H ATOM 15160 OH2 TIP3 4702 58.111 38.872 35.004 1.00 0.00 WT1 O ATOM 15161 H1 TIP3 4702 57.440 38.212 34.830 1.00 0.00 WT1 H ATOM 15162 H2 TIP3 4702 58.857 38.374 35.338 1.00 0.00 WT1 H ATOM 15163 OH2 TIP3 4703 34.364 46.964 64.675 1.00 0.00 WT1 O ATOM 15164 H1 TIP3 4703 35.105 47.399 64.253 1.00 0.00 WT1 H ATOM 15165 H2 TIP3 4703 34.415 47.236 65.591 1.00 0.00 WT1 H ATOM 15166 OH2 TIP3 4704 41.366 73.921 5.838 1.00 0.00 WT1 O ATOM 15167 H1 TIP3 4704 40.914 73.158 6.199 1.00 0.00 WT1 H ATOM 15168 H2 TIP3 4704 41.911 74.240 6.557 1.00 0.00 WT1 H ATOM 15169 OH2 TIP3 4705 67.276 83.042 17.330 1.00 0.00 WT1 O ATOM 15170 H1 TIP3 4705 66.458 82.834 17.781 1.00 0.00 WT1 H ATOM 15171 H2 TIP3 4705 67.118 83.897 16.929 1.00 0.00 WT1 H ATOM 15172 OH2 TIP3 4706 44.529 8.368 59.447 1.00 0.00 WT1 O ATOM 15173 H1 TIP3 4706 44.507 8.589 58.516 1.00 0.00 WT1 H ATOM 15174 H2 TIP3 4706 43.632 8.510 59.749 1.00 0.00 WT1 H ATOM 15175 OH2 TIP3 4707 60.975 59.198 26.010 1.00 0.00 WT1 O ATOM 15176 H1 TIP3 4707 60.152 59.682 25.940 1.00 0.00 WT1 H ATOM 15177 H2 TIP3 4707 60.735 58.380 26.446 1.00 0.00 WT1 H ATOM 15178 OH2 TIP3 4708 49.475 37.824 26.858 1.00 0.00 WT1 O ATOM 15179 H1 TIP3 4708 49.046 37.524 26.057 1.00 0.00 WT1 H ATOM 15180 H2 TIP3 4708 50.298 37.336 26.887 1.00 0.00 WT1 H ATOM 15181 OH2 TIP3 4709 37.775 28.504 55.851 1.00 0.00 WT1 O ATOM 15182 H1 TIP3 4709 37.879 27.937 55.087 1.00 0.00 WT1 H ATOM 15183 H2 TIP3 4709 38.135 27.996 56.578 1.00 0.00 WT1 H ATOM 15184 OH2 TIP3 4710 59.546 24.141 27.695 1.00 0.00 WT1 O ATOM 15185 H1 TIP3 4710 60.411 24.316 28.065 1.00 0.00 WT1 H ATOM 15186 H2 TIP3 4710 59.506 24.688 26.910 1.00 0.00 WT1 H ATOM 15187 OH2 TIP3 4712 24.728 37.252 23.765 1.00 0.00 WT1 O ATOM 15188 H1 TIP3 4712 24.872 36.709 24.540 1.00 0.00 WT1 H ATOM 15189 H2 TIP3 4712 25.320 37.995 23.879 1.00 0.00 WT1 H ATOM 15190 OH2 TIP3 4713 53.414 32.869 15.668 1.00 0.00 WT1 O ATOM 15191 H1 TIP3 4713 53.145 32.409 16.463 1.00 0.00 WT1 H ATOM 15192 H2 TIP3 4713 52.640 33.370 15.408 1.00 0.00 WT1 H ATOM 15193 OH2 TIP3 4717 65.249 37.893 -15.325 1.00 0.00 WT1 O ATOM 15194 H1 TIP3 4717 65.112 37.834 -14.380 1.00 0.00 WT1 H ATOM 15195 H2 TIP3 4717 65.626 37.047 -15.567 1.00 0.00 WT1 H ATOM 15196 OH2 TIP3 4719 67.889 2.904 38.836 1.00 0.00 WT1 O ATOM 15197 H1 TIP3 4719 67.445 2.702 38.012 1.00 0.00 WT1 H ATOM 15198 H2 TIP3 4719 68.813 2.724 38.661 1.00 0.00 WT1 H ATOM 15199 OH2 TIP3 4721 30.011 37.043 34.265 1.00 0.00 WT1 O ATOM 15200 H1 TIP3 4721 29.078 36.905 34.100 1.00 0.00 WT1 H ATOM 15201 H2 TIP3 4721 30.325 37.510 33.491 1.00 0.00 WT1 H ATOM 15202 OH2 TIP3 4722 51.796 46.104 58.567 1.00 0.00 WT1 O ATOM 15203 H1 TIP3 4722 51.882 47.013 58.279 1.00 0.00 WT1 H ATOM 15204 H2 TIP3 4722 52.585 45.673 58.237 1.00 0.00 WT1 H ATOM 15205 OH2 TIP3 4723 68.702 57.513 32.643 1.00 0.00 WT1 O ATOM 15206 H1 TIP3 4723 68.174 56.790 32.304 1.00 0.00 WT1 H ATOM 15207 H2 TIP3 4723 68.115 58.268 32.626 1.00 0.00 WT1 H ATOM 15208 OH2 TIP3 4724 59.155 41.363 35.553 1.00 0.00 WT1 O ATOM 15209 H1 TIP3 4724 59.952 41.885 35.460 1.00 0.00 WT1 H ATOM 15210 H2 TIP3 4724 59.183 41.039 36.453 1.00 0.00 WT1 H ATOM 15211 OH2 TIP3 4725 48.602 78.834 54.835 1.00 0.00 WT1 O ATOM 15212 H1 TIP3 4725 48.272 79.642 55.229 1.00 0.00 WT1 H ATOM 15213 H2 TIP3 4725 49.383 79.105 54.351 1.00 0.00 WT1 H ATOM 15214 OH2 TIP3 4726 68.116 66.880 -9.486 1.00 0.00 WT1 O ATOM 15215 H1 TIP3 4726 68.772 66.569 -8.861 1.00 0.00 WT1 H ATOM 15216 H2 TIP3 4726 68.580 66.917 -10.322 1.00 0.00 WT1 H ATOM 15217 OH2 TIP3 4727 27.430 31.092 34.925 1.00 0.00 WT1 O ATOM 15218 H1 TIP3 4727 27.007 31.942 35.041 1.00 0.00 WT1 H ATOM 15219 H2 TIP3 4727 27.004 30.523 35.566 1.00 0.00 WT1 H ATOM 15220 OH2 TIP3 4729 69.512 24.436 17.094 1.00 0.00 WT1 O ATOM 15221 H1 TIP3 4729 68.861 23.918 16.620 1.00 0.00 WT1 H ATOM 15222 H2 TIP3 4729 69.085 24.659 17.921 1.00 0.00 WT1 H ATOM 15223 OH2 TIP3 4732 76.170 93.229 -18.452 1.00 0.00 WT1 O ATOM 15224 H1 TIP3 4732 76.830 93.783 -18.868 1.00 0.00 WT1 H ATOM 15225 H2 TIP3 4732 76.523 93.046 -17.581 1.00 0.00 WT1 H ATOM 15226 OH2 TIP3 4733 74.227 67.490 36.233 1.00 0.00 WT1 O ATOM 15227 H1 TIP3 4733 73.953 68.384 36.028 1.00 0.00 WT1 H ATOM 15228 H2 TIP3 4733 73.596 66.935 35.776 1.00 0.00 WT1 H ATOM 15229 OH2 TIP3 4736 32.123 64.608 20.676 1.00 0.00 WT1 O ATOM 15230 H1 TIP3 4736 32.681 64.525 21.450 1.00 0.00 WT1 H ATOM 15231 H2 TIP3 4736 32.659 65.089 20.045 1.00 0.00 WT1 H ATOM 15232 OH2 TIP3 4737 58.107 49.938 33.862 1.00 0.00 WT1 O ATOM 15233 H1 TIP3 4737 58.524 50.447 33.166 1.00 0.00 WT1 H ATOM 15234 H2 TIP3 4737 57.212 50.275 33.903 1.00 0.00 WT1 H ATOM 15235 OH2 TIP3 4739 79.557 58.476 59.389 1.00 0.00 WT1 O ATOM 15236 H1 TIP3 4739 80.012 59.111 59.942 1.00 0.00 WT1 H ATOM 15237 H2 TIP3 4739 79.884 58.648 58.506 1.00 0.00 WT1 H ATOM 15238 OH2 TIP3 4743 45.647 48.804 4.606 1.00 0.00 WT1 O ATOM 15239 H1 TIP3 4743 46.427 49.345 4.485 1.00 0.00 WT1 H ATOM 15240 H2 TIP3 4743 45.434 48.895 5.535 1.00 0.00 WT1 H ATOM 15241 OH2 TIP3 4746 28.730 45.374 -13.420 1.00 0.00 WT1 O ATOM 15242 H1 TIP3 4746 28.194 45.029 -12.706 1.00 0.00 WT1 H ATOM 15243 H2 TIP3 4746 29.421 44.722 -13.538 1.00 0.00 WT1 H ATOM 15244 OH2 TIP3 4747 53.562 24.899 1.214 1.00 0.00 WT1 O ATOM 15245 H1 TIP3 4747 53.843 24.569 2.068 1.00 0.00 WT1 H ATOM 15246 H2 TIP3 4747 54.057 25.709 1.095 1.00 0.00 WT1 H ATOM 15247 OH2 TIP3 4748 27.801 30.976 23.741 1.00 0.00 WT1 O ATOM 15248 H1 TIP3 4748 27.937 30.045 23.569 1.00 0.00 WT1 H ATOM 15249 H2 TIP3 4748 26.853 31.095 23.680 1.00 0.00 WT1 H ATOM 15250 OH2 TIP3 4749 42.596 31.349 41.253 1.00 0.00 WT1 O ATOM 15251 H1 TIP3 4749 41.786 31.773 41.537 1.00 0.00 WT1 H ATOM 15252 H2 TIP3 4749 42.875 31.853 40.488 1.00 0.00 WT1 H ATOM 15253 OH2 TIP3 4750 45.350 61.167 50.679 1.00 0.00 WT1 O ATOM 15254 H1 TIP3 4750 44.768 61.879 50.944 1.00 0.00 WT1 H ATOM 15255 H2 TIP3 4750 45.629 61.402 49.794 1.00 0.00 WT1 H ATOM 15256 OH2 TIP3 4751 35.114 46.651 24.551 1.00 0.00 WT1 O ATOM 15257 H1 TIP3 4751 35.572 45.817 24.449 1.00 0.00 WT1 H ATOM 15258 H2 TIP3 4751 35.046 46.998 23.662 1.00 0.00 WT1 H ATOM 15259 OH2 TIP3 4752 53.244 37.654 47.897 1.00 0.00 WT1 O ATOM 15260 H1 TIP3 4752 53.818 38.409 47.771 1.00 0.00 WT1 H ATOM 15261 H2 TIP3 4752 53.218 37.227 47.040 1.00 0.00 WT1 H ATOM 15262 OH2 TIP3 4754 21.239 23.958 -5.309 1.00 0.00 WT1 O ATOM 15263 H1 TIP3 4754 22.140 24.087 -5.606 1.00 0.00 WT1 H ATOM 15264 H2 TIP3 4754 21.322 23.448 -4.503 1.00 0.00 WT1 H ATOM 15265 OH2 TIP3 4759 86.751 17.773 62.889 1.00 0.00 WT1 O ATOM 15266 H1 TIP3 4759 87.533 17.478 62.423 1.00 0.00 WT1 H ATOM 15267 H2 TIP3 4759 86.074 17.141 62.646 1.00 0.00 WT1 H ATOM 15268 OH2 TIP3 4760 27.706 23.524 40.223 1.00 0.00 WT1 O ATOM 15269 H1 TIP3 4760 28.238 23.956 39.555 1.00 0.00 WT1 H ATOM 15270 H2 TIP3 4760 26.987 24.134 40.388 1.00 0.00 WT1 H ATOM 15271 OH2 TIP3 4761 81.373 43.113 45.918 1.00 0.00 WT1 O ATOM 15272 H1 TIP3 4761 81.445 44.066 45.886 1.00 0.00 WT1 H ATOM 15273 H2 TIP3 4761 80.571 42.949 46.413 1.00 0.00 WT1 H ATOM 15274 OH2 TIP3 4765 73.111 26.233 37.973 1.00 0.00 WT1 O ATOM 15275 H1 TIP3 4765 72.962 25.333 38.263 1.00 0.00 WT1 H ATOM 15276 H2 TIP3 4765 73.543 26.143 37.123 1.00 0.00 WT1 H ATOM 15277 OH2 TIP3 4767 65.132 66.331 64.767 1.00 0.00 WT1 O ATOM 15278 H1 TIP3 4767 65.581 66.483 63.936 1.00 0.00 WT1 H ATOM 15279 H2 TIP3 4767 65.077 67.197 65.172 1.00 0.00 WT1 H ATOM 15280 OH2 TIP3 4768 24.743 20.851 -8.522 1.00 0.00 WT1 O ATOM 15281 H1 TIP3 4768 24.227 21.204 -7.796 1.00 0.00 WT1 H ATOM 15282 H2 TIP3 4768 25.331 20.217 -8.112 1.00 0.00 WT1 H ATOM 15283 OH2 TIP3 4769 22.849 88.235 54.743 1.00 0.00 WT1 O ATOM 15284 H1 TIP3 4769 22.790 88.609 53.864 1.00 0.00 WT1 H ATOM 15285 H2 TIP3 4769 23.524 87.560 54.672 1.00 0.00 WT1 H ATOM 15286 OH2 TIP3 4770 81.671 80.796 61.013 1.00 0.00 WT1 O ATOM 15287 H1 TIP3 4770 81.111 80.782 60.237 1.00 0.00 WT1 H ATOM 15288 H2 TIP3 4770 81.164 80.337 61.683 1.00 0.00 WT1 H ATOM 15289 OH2 TIP3 4771 33.934 43.422 17.033 1.00 0.00 WT1 O ATOM 15290 H1 TIP3 4771 34.242 42.777 17.670 1.00 0.00 WT1 H ATOM 15291 H2 TIP3 4771 34.690 43.991 16.884 1.00 0.00 WT1 H ATOM 15292 OH2 TIP3 4772 87.134 77.701 46.001 1.00 0.00 WT1 O ATOM 15293 H1 TIP3 4772 86.758 77.022 46.560 1.00 0.00 WT1 H ATOM 15294 H2 TIP3 4772 88.032 77.802 46.316 1.00 0.00 WT1 H ATOM 15295 OH2 TIP3 4773 26.784 2.613 17.527 1.00 0.00 WT1 O ATOM 15296 H1 TIP3 4773 27.539 2.438 16.964 1.00 0.00 WT1 H ATOM 15297 H2 TIP3 4773 26.622 3.551 17.427 1.00 0.00 WT1 H ATOM 15298 OH2 TIP3 4774 70.265 59.273 62.077 1.00 0.00 WT1 O ATOM 15299 H1 TIP3 4774 70.754 58.976 61.310 1.00 0.00 WT1 H ATOM 15300 H2 TIP3 4774 70.571 58.710 62.789 1.00 0.00 WT1 H ATOM 15301 OH2 TIP3 4776 51.904 32.267 17.885 1.00 0.00 WT1 O ATOM 15302 H1 TIP3 4776 52.782 32.525 18.165 1.00 0.00 WT1 H ATOM 15303 H2 TIP3 4776 51.374 32.317 18.680 1.00 0.00 WT1 H ATOM 15304 OH2 TIP3 4777 65.695 85.092 35.423 1.00 0.00 WT1 O ATOM 15305 H1 TIP3 4777 66.340 85.573 34.904 1.00 0.00 WT1 H ATOM 15306 H2 TIP3 4777 64.937 85.006 34.844 1.00 0.00 WT1 H ATOM 15307 OH2 TIP3 4779 51.224 87.223 35.699 1.00 0.00 WT1 O ATOM 15308 H1 TIP3 4779 50.977 86.367 36.049 1.00 0.00 WT1 H ATOM 15309 H2 TIP3 4779 50.706 87.848 36.207 1.00 0.00 WT1 H ATOM 15310 OH2 TIP3 4783 77.414 46.984 46.442 1.00 0.00 WT1 O ATOM 15311 H1 TIP3 4783 77.340 46.726 47.361 1.00 0.00 WT1 H ATOM 15312 H2 TIP3 4783 76.805 47.716 46.348 1.00 0.00 WT1 H ATOM 15313 OH2 TIP3 4786 39.427 85.086 37.867 1.00 0.00 WT1 O ATOM 15314 H1 TIP3 4786 40.147 84.818 37.297 1.00 0.00 WT1 H ATOM 15315 H2 TIP3 4786 38.648 84.695 37.470 1.00 0.00 WT1 H ATOM 15316 OH2 TIP3 4787 26.902 31.146 -8.802 1.00 0.00 WT1 O ATOM 15317 H1 TIP3 4787 27.276 31.455 -9.627 1.00 0.00 WT1 H ATOM 15318 H2 TIP3 4787 25.994 30.930 -9.016 1.00 0.00 WT1 H ATOM 15319 OH2 TIP3 4788 87.330 28.768 34.056 1.00 0.00 WT1 O ATOM 15320 H1 TIP3 4788 86.574 28.203 34.218 1.00 0.00 WT1 H ATOM 15321 H2 TIP3 4788 86.958 29.561 33.670 1.00 0.00 WT1 H ATOM 15322 OH2 TIP3 4790 32.192 3.271 10.222 1.00 0.00 WT1 O ATOM 15323 H1 TIP3 4790 32.212 4.116 9.773 1.00 0.00 WT1 H ATOM 15324 H2 TIP3 4790 32.203 2.624 9.517 1.00 0.00 WT1 H ATOM 15325 OH2 TIP3 4791 61.360 23.940 -7.443 1.00 0.00 WT1 O ATOM 15326 H1 TIP3 4791 60.589 24.441 -7.177 1.00 0.00 WT1 H ATOM 15327 H2 TIP3 4791 61.152 23.628 -8.324 1.00 0.00 WT1 H ATOM 15328 OH2 TIP3 4793 76.648 59.779 23.817 1.00 0.00 WT1 O ATOM 15329 H1 TIP3 4793 75.993 59.697 23.124 1.00 0.00 WT1 H ATOM 15330 H2 TIP3 4793 77.402 59.287 23.493 1.00 0.00 WT1 H ATOM 15331 OH2 TIP3 4794 54.195 95.266 0.712 1.00 0.00 WT1 O ATOM 15332 H1 TIP3 4794 53.465 95.066 1.298 1.00 0.00 WT1 H ATOM 15333 H2 TIP3 4794 54.876 95.616 1.287 1.00 0.00 WT1 H ATOM 15334 OH2 TIP3 4796 54.728 50.420 18.395 1.00 0.00 WT1 O ATOM 15335 H1 TIP3 4796 55.533 50.181 18.855 1.00 0.00 WT1 H ATOM 15336 H2 TIP3 4796 54.026 50.191 19.004 1.00 0.00 WT1 H ATOM 15337 OH2 TIP3 4797 45.494 48.563 -9.636 1.00 0.00 WT1 O ATOM 15338 H1 TIP3 4797 44.986 48.579 -8.825 1.00 0.00 WT1 H ATOM 15339 H2 TIP3 4797 45.982 49.387 -9.629 1.00 0.00 WT1 H ATOM 15340 OH2 TIP3 4798 27.106 2.202 23.725 1.00 0.00 WT1 O ATOM 15341 H1 TIP3 4798 27.775 1.535 23.572 1.00 0.00 WT1 H ATOM 15342 H2 TIP3 4798 26.481 2.083 23.010 1.00 0.00 WT1 H ATOM 15343 OH2 TIP3 4799 64.460 74.094 30.896 1.00 0.00 WT1 O ATOM 15344 H1 TIP3 4799 64.529 73.353 31.498 1.00 0.00 WT1 H ATOM 15345 H2 TIP3 4799 63.548 74.083 30.605 1.00 0.00 WT1 H ATOM 15346 OH2 TIP3 4800 81.197 14.403 56.264 1.00 0.00 WT1 O ATOM 15347 H1 TIP3 4800 80.521 14.031 56.831 1.00 0.00 WT1 H ATOM 15348 H2 TIP3 4800 80.745 14.582 55.439 1.00 0.00 WT1 H ATOM 15349 OH2 TIP3 4801 59.020 16.312 13.704 1.00 0.00 WT1 O ATOM 15350 H1 TIP3 4801 59.433 15.889 14.457 1.00 0.00 WT1 H ATOM 15351 H2 TIP3 4801 58.088 16.335 13.923 1.00 0.00 WT1 H ATOM 15352 OH2 TIP3 4804 83.421 28.529 10.267 1.00 0.00 WT1 O ATOM 15353 H1 TIP3 4804 83.126 29.432 10.390 1.00 0.00 WT1 H ATOM 15354 H2 TIP3 4804 83.955 28.558 9.473 1.00 0.00 WT1 H ATOM 15355 OH2 TIP3 4805 35.706 90.611 40.454 1.00 0.00 WT1 O ATOM 15356 H1 TIP3 4805 36.561 90.345 40.790 1.00 0.00 WT1 H ATOM 15357 H2 TIP3 4805 35.289 91.062 41.188 1.00 0.00 WT1 H ATOM 15358 OH2 TIP3 4806 53.586 2.932 -11.516 1.00 0.00 WT1 O ATOM 15359 H1 TIP3 4806 53.893 3.474 -12.243 1.00 0.00 WT1 H ATOM 15360 H2 TIP3 4806 54.337 2.384 -11.291 1.00 0.00 WT1 H ATOM 15361 OH2 TIP3 4807 77.472 35.279 25.691 1.00 0.00 WT1 O ATOM 15362 H1 TIP3 4807 77.462 36.010 26.310 1.00 0.00 WT1 H ATOM 15363 H2 TIP3 4807 77.623 35.689 24.839 1.00 0.00 WT1 H ATOM 15364 OH2 TIP3 4808 87.068 92.592 38.541 1.00 0.00 WT1 O ATOM 15365 H1 TIP3 4808 86.685 91.928 39.114 1.00 0.00 WT1 H ATOM 15366 H2 TIP3 4808 87.942 92.258 38.338 1.00 0.00 WT1 H ATOM 15367 OH2 TIP3 4809 89.848 41.943 30.691 1.00 0.00 WT1 O ATOM 15368 H1 TIP3 4809 90.449 42.020 31.432 1.00 0.00 WT1 H ATOM 15369 H2 TIP3 4809 89.201 42.633 30.834 1.00 0.00 WT1 H ATOM 15370 OH2 TIP3 4812 62.823 17.145 44.827 1.00 0.00 WT1 O ATOM 15371 H1 TIP3 4812 63.399 17.865 44.571 1.00 0.00 WT1 H ATOM 15372 H2 TIP3 4812 62.954 16.480 44.152 1.00 0.00 WT1 H ATOM 15373 OH2 TIP3 4813 33.347 41.556 -17.357 1.00 0.00 WT1 O ATOM 15374 H1 TIP3 4813 33.540 41.299 -16.455 1.00 0.00 WT1 H ATOM 15375 H2 TIP3 4813 32.659 42.217 -17.275 1.00 0.00 WT1 H ATOM 15376 OH2 TIP3 4814 24.413 33.795 4.349 1.00 0.00 WT1 O ATOM 15377 H1 TIP3 4814 23.964 33.570 5.164 1.00 0.00 WT1 H ATOM 15378 H2 TIP3 4814 25.321 33.950 4.610 1.00 0.00 WT1 H ATOM 15379 OH2 TIP3 4815 47.339 78.299 17.936 1.00 0.00 WT1 O ATOM 15380 H1 TIP3 4815 47.883 78.534 18.688 1.00 0.00 WT1 H ATOM 15381 H2 TIP3 4815 46.532 77.957 18.321 1.00 0.00 WT1 H ATOM 15382 OH2 TIP3 4816 85.593 8.057 45.299 1.00 0.00 WT1 O ATOM 15383 H1 TIP3 4816 85.608 7.110 45.161 1.00 0.00 WT1 H ATOM 15384 H2 TIP3 4816 85.035 8.393 44.598 1.00 0.00 WT1 H ATOM 15385 OH2 TIP3 4820 39.926 5.583 -19.505 1.00 0.00 WT1 O ATOM 15386 H1 TIP3 4820 40.424 5.008 -18.923 1.00 0.00 WT1 H ATOM 15387 H2 TIP3 4820 40.496 5.708 -20.264 1.00 0.00 WT1 H ATOM 15388 OH2 TIP3 4821 87.483 81.014 -6.701 1.00 0.00 WT1 O ATOM 15389 H1 TIP3 4821 87.352 81.331 -5.808 1.00 0.00 WT1 H ATOM 15390 H2 TIP3 4821 86.814 80.339 -6.817 1.00 0.00 WT1 H ATOM 15391 OH2 TIP3 4822 45.039 39.878 45.836 1.00 0.00 WT1 O ATOM 15392 H1 TIP3 4822 44.211 40.341 45.709 1.00 0.00 WT1 H ATOM 15393 H2 TIP3 4822 45.624 40.532 46.219 1.00 0.00 WT1 H ATOM 15394 OH2 TIP3 4824 82.399 52.929 4.037 1.00 0.00 WT1 O ATOM 15395 H1 TIP3 4824 83.274 52.792 3.676 1.00 0.00 WT1 H ATOM 15396 H2 TIP3 4824 81.842 53.069 3.271 1.00 0.00 WT1 H ATOM 15397 OH2 TIP3 4825 33.613 43.227 60.143 1.00 0.00 WT1 O ATOM 15398 H1 TIP3 4825 33.618 43.782 59.363 1.00 0.00 WT1 H ATOM 15399 H2 TIP3 4825 33.570 43.843 60.875 1.00 0.00 WT1 H ATOM 15400 OH2 TIP3 4829 76.159 11.973 60.969 1.00 0.00 WT1 O ATOM 15401 H1 TIP3 4829 76.190 12.847 61.357 1.00 0.00 WT1 H ATOM 15402 H2 TIP3 4829 75.761 12.106 60.109 1.00 0.00 WT1 H ATOM 15403 OH2 TIP3 4832 61.825 92.162 11.376 1.00 0.00 WT1 O ATOM 15404 H1 TIP3 4832 62.569 92.107 10.777 1.00 0.00 WT1 H ATOM 15405 H2 TIP3 4832 61.131 92.573 10.861 1.00 0.00 WT1 H ATOM 15406 OH2 TIP3 4833 51.543 89.584 -9.453 1.00 0.00 WT1 O ATOM 15407 H1 TIP3 4833 51.593 89.367 -8.522 1.00 0.00 WT1 H ATOM 15408 H2 TIP3 4833 50.655 89.335 -9.711 1.00 0.00 WT1 H ATOM 15409 OH2 TIP3 4834 40.582 13.380 -0.054 1.00 0.00 WT1 O ATOM 15410 H1 TIP3 4834 40.279 12.484 0.090 1.00 0.00 WT1 H ATOM 15411 H2 TIP3 4834 40.840 13.689 0.814 1.00 0.00 WT1 H ATOM 15412 OH2 TIP3 4835 77.593 7.724 36.632 1.00 0.00 WT1 O ATOM 15413 H1 TIP3 4835 76.850 8.127 37.080 1.00 0.00 WT1 H ATOM 15414 H2 TIP3 4835 77.232 6.931 36.234 1.00 0.00 WT1 H ATOM 15415 OH2 TIP3 4836 62.545 65.998 -14.518 1.00 0.00 WT1 O ATOM 15416 H1 TIP3 4836 61.868 65.590 -15.059 1.00 0.00 WT1 H ATOM 15417 H2 TIP3 4836 62.614 66.891 -14.853 1.00 0.00 WT1 H ATOM 15418 OH2 TIP3 4837 36.422 72.845 14.423 1.00 0.00 WT1 O ATOM 15419 H1 TIP3 4837 36.951 72.942 13.632 1.00 0.00 WT1 H ATOM 15420 H2 TIP3 4837 37.060 72.794 15.134 1.00 0.00 WT1 H ATOM 15421 OH2 TIP3 4838 45.771 6.313 36.729 1.00 0.00 WT1 O ATOM 15422 H1 TIP3 4838 45.347 5.846 37.449 1.00 0.00 WT1 H ATOM 15423 H2 TIP3 4838 46.704 6.278 36.937 1.00 0.00 WT1 H ATOM 15424 OH2 TIP3 4839 47.315 16.504 -12.231 1.00 0.00 WT1 O ATOM 15425 H1 TIP3 4839 47.886 17.132 -12.672 1.00 0.00 WT1 H ATOM 15426 H2 TIP3 4839 46.815 16.097 -12.939 1.00 0.00 WT1 H ATOM 15427 OH2 TIP3 4841 49.141 13.351 -12.512 1.00 0.00 WT1 O ATOM 15428 H1 TIP3 4841 49.789 13.871 -12.988 1.00 0.00 WT1 H ATOM 15429 H2 TIP3 4841 48.746 13.967 -11.894 1.00 0.00 WT1 H ATOM 15430 OH2 TIP3 4844 45.886 81.309 45.755 1.00 0.00 WT1 O ATOM 15431 H1 TIP3 4844 46.173 82.146 45.389 1.00 0.00 WT1 H ATOM 15432 H2 TIP3 4844 45.405 80.888 45.042 1.00 0.00 WT1 H ATOM 15433 OH2 TIP3 4845 56.859 89.464 2.579 1.00 0.00 WT1 O ATOM 15434 H1 TIP3 4845 57.160 89.285 1.688 1.00 0.00 WT1 H ATOM 15435 H2 TIP3 4845 56.057 89.973 2.464 1.00 0.00 WT1 H ATOM 15436 OH2 TIP3 4847 47.239 86.442 49.975 1.00 0.00 WT1 O ATOM 15437 H1 TIP3 4847 47.634 86.299 50.835 1.00 0.00 WT1 H ATOM 15438 H2 TIP3 4847 47.296 85.591 49.541 1.00 0.00 WT1 H ATOM 15439 OH2 TIP3 4849 84.903 48.013 64.516 1.00 0.00 WT1 O ATOM 15440 H1 TIP3 4849 85.009 48.808 65.039 1.00 0.00 WT1 H ATOM 15441 H2 TIP3 4849 84.761 48.330 63.624 1.00 0.00 WT1 H ATOM 15442 OH2 TIP3 4850 31.264 32.538 18.185 1.00 0.00 WT1 O ATOM 15443 H1 TIP3 4850 32.183 32.802 18.144 1.00 0.00 WT1 H ATOM 15444 H2 TIP3 4850 31.263 31.758 18.740 1.00 0.00 WT1 H ATOM 15445 OH2 TIP3 4851 52.264 35.244 56.258 1.00 0.00 WT1 O ATOM 15446 H1 TIP3 4851 51.772 35.166 55.441 1.00 0.00 WT1 H ATOM 15447 H2 TIP3 4851 52.512 34.346 56.475 1.00 0.00 WT1 H ATOM 15448 OH2 TIP3 4852 58.000 82.242 -6.159 1.00 0.00 WT1 O ATOM 15449 H1 TIP3 4852 58.062 81.342 -5.840 1.00 0.00 WT1 H ATOM 15450 H2 TIP3 4852 57.119 82.523 -5.912 1.00 0.00 WT1 H ATOM 15451 OH2 TIP3 4853 43.135 42.212 63.578 1.00 0.00 WT1 O ATOM 15452 H1 TIP3 4853 43.234 43.143 63.775 1.00 0.00 WT1 H ATOM 15453 H2 TIP3 4853 43.566 41.765 64.307 1.00 0.00 WT1 H ATOM 15454 OH2 TIP3 4854 76.452 23.918 -5.039 1.00 0.00 WT1 O ATOM 15455 H1 TIP3 4854 75.585 24.095 -5.404 1.00 0.00 WT1 H ATOM 15456 H2 TIP3 4854 76.669 24.707 -4.541 1.00 0.00 WT1 H ATOM 15457 OH2 TIP3 4855 65.870 29.735 18.203 1.00 0.00 WT1 O ATOM 15458 H1 TIP3 4855 65.147 30.099 18.713 1.00 0.00 WT1 H ATOM 15459 H2 TIP3 4855 65.558 29.751 17.299 1.00 0.00 WT1 H ATOM 15460 OH2 TIP3 4856 88.963 24.783 -4.350 1.00 0.00 WT1 O ATOM 15461 H1 TIP3 4856 88.443 24.855 -5.151 1.00 0.00 WT1 H ATOM 15462 H2 TIP3 4856 89.788 24.391 -4.635 1.00 0.00 WT1 H ATOM 15463 OH2 TIP3 4857 55.848 15.121 21.453 1.00 0.00 WT1 O ATOM 15464 H1 TIP3 4857 55.806 15.934 20.948 1.00 0.00 WT1 H ATOM 15465 H2 TIP3 4857 54.972 14.744 21.372 1.00 0.00 WT1 H ATOM 15466 OH2 TIP3 4858 52.390 5.305 17.585 1.00 0.00 WT1 O ATOM 15467 H1 TIP3 4858 51.985 6.057 18.016 1.00 0.00 WT1 H ATOM 15468 H2 TIP3 4858 51.666 4.866 17.138 1.00 0.00 WT1 H ATOM 15469 OH2 TIP3 4859 72.689 8.021 3.839 1.00 0.00 WT1 O ATOM 15470 H1 TIP3 4859 73.509 7.534 3.754 1.00 0.00 WT1 H ATOM 15471 H2 TIP3 4859 72.935 8.933 3.685 1.00 0.00 WT1 H ATOM 15472 OH2 TIP3 4861 76.927 32.977 59.760 1.00 0.00 WT1 O ATOM 15473 H1 TIP3 4861 77.480 33.484 59.166 1.00 0.00 WT1 H ATOM 15474 H2 TIP3 4861 76.248 33.591 60.040 1.00 0.00 WT1 H ATOM 15475 OH2 TIP3 4862 56.532 58.887 -4.160 1.00 0.00 WT1 O ATOM 15476 H1 TIP3 4862 56.693 59.021 -3.226 1.00 0.00 WT1 H ATOM 15477 H2 TIP3 4862 55.582 58.802 -4.230 1.00 0.00 WT1 H ATOM 15478 OH2 TIP3 4863 30.339 19.365 19.846 1.00 0.00 WT1 O ATOM 15479 H1 TIP3 4863 30.740 20.031 20.405 1.00 0.00 WT1 H ATOM 15480 H2 TIP3 4863 29.530 19.771 19.534 1.00 0.00 WT1 H ATOM 15481 OH2 TIP3 4864 28.605 28.677 20.744 1.00 0.00 WT1 O ATOM 15482 H1 TIP3 4864 28.858 29.587 20.905 1.00 0.00 WT1 H ATOM 15483 H2 TIP3 4864 29.231 28.367 20.090 1.00 0.00 WT1 H ATOM 15484 OH2 TIP3 4866 88.333 81.279 32.179 1.00 0.00 WT1 O ATOM 15485 H1 TIP3 4866 88.879 81.276 31.392 1.00 0.00 WT1 H ATOM 15486 H2 TIP3 4866 87.436 81.239 31.848 1.00 0.00 WT1 H ATOM 15487 OH2 TIP3 4869 73.253 26.117 20.882 1.00 0.00 WT1 O ATOM 15488 H1 TIP3 4869 73.513 25.479 21.546 1.00 0.00 WT1 H ATOM 15489 H2 TIP3 4869 74.073 26.529 20.610 1.00 0.00 WT1 H ATOM 15490 OH2 TIP3 4870 68.752 13.587 -1.034 1.00 0.00 WT1 O ATOM 15491 H1 TIP3 4870 68.661 13.215 -0.157 1.00 0.00 WT1 H ATOM 15492 H2 TIP3 4870 67.947 13.334 -1.487 1.00 0.00 WT1 H ATOM 15493 OH2 TIP3 4872 57.686 14.762 25.694 1.00 0.00 WT1 O ATOM 15494 H1 TIP3 4872 57.009 14.245 26.131 1.00 0.00 WT1 H ATOM 15495 H2 TIP3 4872 58.510 14.374 25.987 1.00 0.00 WT1 H ATOM 15496 OH2 TIP3 4873 76.795 47.252 28.304 1.00 0.00 WT1 O ATOM 15497 H1 TIP3 4873 75.851 47.367 28.416 1.00 0.00 WT1 H ATOM 15498 H2 TIP3 4873 76.953 46.335 28.526 1.00 0.00 WT1 H ATOM 15499 OH2 TIP3 4874 25.523 6.902 -19.778 1.00 0.00 WT1 O ATOM 15500 H1 TIP3 4874 25.567 6.687 -18.846 1.00 0.00 WT1 H ATOM 15501 H2 TIP3 4874 24.710 6.498 -20.080 1.00 0.00 WT1 H ATOM 15502 OH2 TIP3 4875 35.833 27.055 7.731 1.00 0.00 WT1 O ATOM 15503 H1 TIP3 4875 35.438 27.661 8.357 1.00 0.00 WT1 H ATOM 15504 H2 TIP3 4875 35.361 27.212 6.913 1.00 0.00 WT1 H ATOM 15505 OH2 TIP3 4876 68.990 37.307 32.982 1.00 0.00 WT1 O ATOM 15506 H1 TIP3 4876 69.476 37.724 32.270 1.00 0.00 WT1 H ATOM 15507 H2 TIP3 4876 68.107 37.190 32.633 1.00 0.00 WT1 H ATOM 15508 OH2 TIP3 4877 27.130 6.001 -4.721 1.00 0.00 WT1 O ATOM 15509 H1 TIP3 4877 26.348 6.384 -4.323 1.00 0.00 WT1 H ATOM 15510 H2 TIP3 4877 27.389 6.630 -5.394 1.00 0.00 WT1 H ATOM 15511 OH2 TIP3 4879 53.356 2.754 -6.989 1.00 0.00 WT1 O ATOM 15512 H1 TIP3 4879 54.280 2.938 -7.158 1.00 0.00 WT1 H ATOM 15513 H2 TIP3 4879 53.256 1.824 -7.191 1.00 0.00 WT1 H ATOM 15514 OH2 TIP3 4880 84.646 90.052 50.292 1.00 0.00 WT1 O ATOM 15515 H1 TIP3 4880 83.724 90.146 50.052 1.00 0.00 WT1 H ATOM 15516 H2 TIP3 4880 85.096 89.906 49.460 1.00 0.00 WT1 H ATOM 15517 OH2 TIP3 4881 42.532 14.645 22.065 1.00 0.00 WT1 O ATOM 15518 H1 TIP3 4881 42.479 15.599 22.124 1.00 0.00 WT1 H ATOM 15519 H2 TIP3 4881 42.332 14.451 21.149 1.00 0.00 WT1 H ATOM 15520 OH2 TIP3 4882 89.242 4.808 35.392 1.00 0.00 WT1 O ATOM 15521 H1 TIP3 4882 89.384 4.528 34.487 1.00 0.00 WT1 H ATOM 15522 H2 TIP3 4882 89.177 5.762 35.341 1.00 0.00 WT1 H ATOM 15523 OH2 TIP3 4884 53.885 0.332 31.197 1.00 0.00 WT1 O ATOM 15524 H1 TIP3 4884 52.937 0.201 31.167 1.00 0.00 WT1 H ATOM 15525 H2 TIP3 4884 54.174 -0.178 31.953 1.00 0.00 WT1 H ATOM 15526 OH2 TIP3 4887 31.162 8.049 56.521 1.00 0.00 WT1 O ATOM 15527 H1 TIP3 4887 31.742 8.748 56.220 1.00 0.00 WT1 H ATOM 15528 H2 TIP3 4887 31.613 7.240 56.278 1.00 0.00 WT1 H ATOM 15529 OH2 TIP3 4888 65.977 76.839 61.337 1.00 0.00 WT1 O ATOM 15530 H1 TIP3 4888 65.409 76.685 60.582 1.00 0.00 WT1 H ATOM 15531 H2 TIP3 4888 66.499 77.603 61.092 1.00 0.00 WT1 H ATOM 15532 OH2 TIP3 4890 49.231 10.568 55.796 1.00 0.00 WT1 O ATOM 15533 H1 TIP3 4890 48.658 10.798 55.065 1.00 0.00 WT1 H ATOM 15534 H2 TIP3 4890 48.760 9.879 56.264 1.00 0.00 WT1 H ATOM 15535 OH2 TIP3 4891 45.944 31.305 45.943 1.00 0.00 WT1 O ATOM 15536 H1 TIP3 4891 45.353 32.009 45.676 1.00 0.00 WT1 H ATOM 15537 H2 TIP3 4891 46.748 31.753 46.204 1.00 0.00 WT1 H ATOM 15538 OH2 TIP3 4893 71.345 65.092 -11.639 1.00 0.00 WT1 O ATOM 15539 H1 TIP3 4893 70.581 65.384 -11.143 1.00 0.00 WT1 H ATOM 15540 H2 TIP3 4893 71.110 64.218 -11.950 1.00 0.00 WT1 H ATOM 15541 OH2 TIP3 4894 68.892 77.861 47.569 1.00 0.00 WT1 O ATOM 15542 H1 TIP3 4894 69.840 77.913 47.690 1.00 0.00 WT1 H ATOM 15543 H2 TIP3 4894 68.767 77.924 46.622 1.00 0.00 WT1 H ATOM 15544 OH2 TIP3 4895 46.758 32.436 55.458 1.00 0.00 WT1 O ATOM 15545 H1 TIP3 4895 46.834 33.389 55.502 1.00 0.00 WT1 H ATOM 15546 H2 TIP3 4895 47.304 32.186 54.713 1.00 0.00 WT1 H ATOM 15547 OH2 TIP3 4896 56.374 4.790 -9.573 1.00 0.00 WT1 O ATOM 15548 H1 TIP3 4896 57.320 4.665 -9.646 1.00 0.00 WT1 H ATOM 15549 H2 TIP3 4896 56.094 4.132 -8.936 1.00 0.00 WT1 H ATOM 15550 OH2 TIP3 4897 74.233 7.205 44.169 1.00 0.00 WT1 O ATOM 15551 H1 TIP3 4897 74.865 7.850 43.852 1.00 0.00 WT1 H ATOM 15552 H2 TIP3 4897 74.437 7.107 45.099 1.00 0.00 WT1 H ATOM 15553 OH2 TIP3 4898 34.190 46.963 54.012 1.00 0.00 WT1 O ATOM 15554 H1 TIP3 4898 34.568 47.200 54.859 1.00 0.00 WT1 H ATOM 15555 H2 TIP3 4898 34.652 47.515 53.380 1.00 0.00 WT1 H ATOM 15556 OH2 TIP3 4899 28.826 31.265 42.388 1.00 0.00 WT1 O ATOM 15557 H1 TIP3 4899 28.543 31.986 41.826 1.00 0.00 WT1 H ATOM 15558 H2 TIP3 4899 28.805 30.496 41.819 1.00 0.00 WT1 H ATOM 15559 OH2 TIP3 4900 47.425 68.858 4.950 1.00 0.00 WT1 O ATOM 15560 H1 TIP3 4900 47.819 67.987 5.006 1.00 0.00 WT1 H ATOM 15561 H2 TIP3 4900 47.745 69.317 5.727 1.00 0.00 WT1 H ATOM 15562 OH2 TIP3 4901 48.695 68.431 61.456 1.00 0.00 WT1 O ATOM 15563 H1 TIP3 4901 49.046 68.786 60.640 1.00 0.00 WT1 H ATOM 15564 H2 TIP3 4901 49.342 67.782 61.733 1.00 0.00 WT1 H ATOM 15565 OH2 TIP3 4902 78.384 53.880 12.950 1.00 0.00 WT1 O ATOM 15566 H1 TIP3 4902 78.405 54.557 13.627 1.00 0.00 WT1 H ATOM 15567 H2 TIP3 4902 77.795 54.228 12.280 1.00 0.00 WT1 H ATOM 15568 OH2 TIP3 4903 40.584 2.348 13.464 1.00 0.00 WT1 O ATOM 15569 H1 TIP3 4903 41.195 2.079 14.150 1.00 0.00 WT1 H ATOM 15570 H2 TIP3 4903 40.865 1.864 12.688 1.00 0.00 WT1 H ATOM 15571 OH2 TIP3 4904 36.022 73.618 4.745 1.00 0.00 WT1 O ATOM 15572 H1 TIP3 4904 36.159 72.879 5.338 1.00 0.00 WT1 H ATOM 15573 H2 TIP3 4904 35.893 74.369 5.323 1.00 0.00 WT1 H ATOM 15574 OH2 TIP3 4906 43.574 67.053 36.311 1.00 0.00 WT1 O ATOM 15575 H1 TIP3 4906 43.259 67.872 36.693 1.00 0.00 WT1 H ATOM 15576 H2 TIP3 4906 44.503 67.210 36.140 1.00 0.00 WT1 H ATOM 15577 OH2 TIP3 4908 55.489 12.032 -11.709 1.00 0.00 WT1 O ATOM 15578 H1 TIP3 4908 55.368 11.723 -10.811 1.00 0.00 WT1 H ATOM 15579 H2 TIP3 4908 54.718 11.714 -12.179 1.00 0.00 WT1 H ATOM 15580 OH2 TIP3 4909 79.062 69.039 38.050 1.00 0.00 WT1 O ATOM 15581 H1 TIP3 4909 78.717 68.355 37.478 1.00 0.00 WT1 H ATOM 15582 H2 TIP3 4909 78.912 69.853 37.569 1.00 0.00 WT1 H ATOM 15583 OH2 TIP3 4910 57.026 8.788 5.693 1.00 0.00 WT1 O ATOM 15584 H1 TIP3 4910 56.749 7.908 5.948 1.00 0.00 WT1 H ATOM 15585 H2 TIP3 4910 56.307 9.356 5.971 1.00 0.00 WT1 H ATOM 15586 OH2 TIP3 4911 63.707 31.263 60.474 1.00 0.00 WT1 O ATOM 15587 H1 TIP3 4911 63.318 31.650 61.258 1.00 0.00 WT1 H ATOM 15588 H2 TIP3 4911 63.221 31.654 59.747 1.00 0.00 WT1 H ATOM 15589 OH2 TIP3 4912 57.472 86.838 51.756 1.00 0.00 WT1 O ATOM 15590 H1 TIP3 4912 58.039 87.192 51.071 1.00 0.00 WT1 H ATOM 15591 H2 TIP3 4912 57.485 85.892 51.613 1.00 0.00 WT1 H ATOM 15592 OH2 TIP3 4913 53.021 12.687 1.351 1.00 0.00 WT1 O ATOM 15593 H1 TIP3 4913 53.517 12.203 0.691 1.00 0.00 WT1 H ATOM 15594 H2 TIP3 4913 53.136 12.181 2.156 1.00 0.00 WT1 H ATOM 15595 OH2 TIP3 4914 65.793 13.641 -17.040 1.00 0.00 WT1 O ATOM 15596 H1 TIP3 4914 66.505 14.236 -17.276 1.00 0.00 WT1 H ATOM 15597 H2 TIP3 4914 65.792 13.635 -16.083 1.00 0.00 WT1 H ATOM 15598 OH2 TIP3 4915 67.247 27.718 -12.756 1.00 0.00 WT1 O ATOM 15599 H1 TIP3 4915 66.747 28.470 -13.075 1.00 0.00 WT1 H ATOM 15600 H2 TIP3 4915 67.239 27.811 -11.803 1.00 0.00 WT1 H ATOM 15601 OH2 TIP3 4916 50.951 35.403 20.790 1.00 0.00 WT1 O ATOM 15602 H1 TIP3 4916 51.775 34.937 20.645 1.00 0.00 WT1 H ATOM 15603 H2 TIP3 4916 51.218 36.292 21.025 1.00 0.00 WT1 H ATOM 15604 OH2 TIP3 4917 46.083 82.301 7.509 1.00 0.00 WT1 O ATOM 15605 H1 TIP3 4917 45.851 83.173 7.830 1.00 0.00 WT1 H ATOM 15606 H2 TIP3 4917 46.116 82.398 6.557 1.00 0.00 WT1 H ATOM 15607 OH2 TIP3 4918 33.757 18.321 14.397 1.00 0.00 WT1 O ATOM 15608 H1 TIP3 4918 34.650 18.346 14.052 1.00 0.00 WT1 H ATOM 15609 H2 TIP3 4918 33.866 18.146 15.332 1.00 0.00 WT1 H ATOM 15610 OH2 TIP3 4919 88.143 89.178 -16.430 1.00 0.00 WT1 O ATOM 15611 H1 TIP3 4919 88.944 88.699 -16.641 1.00 0.00 WT1 H ATOM 15612 H2 TIP3 4919 87.682 88.614 -15.809 1.00 0.00 WT1 H ATOM 15613 OH2 TIP3 4920 78.875 43.275 12.218 1.00 0.00 WT1 O ATOM 15614 H1 TIP3 4920 79.149 44.140 11.912 1.00 0.00 WT1 H ATOM 15615 H2 TIP3 4920 79.695 42.801 12.361 1.00 0.00 WT1 H ATOM 15616 OH2 TIP3 4922 86.581 24.342 -0.396 1.00 0.00 WT1 O ATOM 15617 H1 TIP3 4922 86.391 25.281 -0.396 1.00 0.00 WT1 H ATOM 15618 H2 TIP3 4922 86.562 24.095 -1.321 1.00 0.00 WT1 H ATOM 15619 OH2 TIP3 4924 73.579 86.868 1.168 1.00 0.00 WT1 O ATOM 15620 H1 TIP3 4924 73.065 86.351 0.548 1.00 0.00 WT1 H ATOM 15621 H2 TIP3 4924 72.956 87.498 1.530 1.00 0.00 WT1 H ATOM 15622 OH2 TIP3 4925 69.853 2.980 42.924 1.00 0.00 WT1 O ATOM 15623 H1 TIP3 4925 69.473 3.773 42.545 1.00 0.00 WT1 H ATOM 15624 H2 TIP3 4925 69.845 3.137 43.868 1.00 0.00 WT1 H ATOM 15625 OH2 TIP3 4926 59.641 32.443 -2.533 1.00 0.00 WT1 O ATOM 15626 H1 TIP3 4926 60.390 32.561 -3.116 1.00 0.00 WT1 H ATOM 15627 H2 TIP3 4926 59.861 31.671 -2.011 1.00 0.00 WT1 H ATOM 15628 OH2 TIP3 4927 38.677 5.619 -6.403 1.00 0.00 WT1 O ATOM 15629 H1 TIP3 4927 39.465 5.744 -5.874 1.00 0.00 WT1 H ATOM 15630 H2 TIP3 4927 38.013 5.326 -5.780 1.00 0.00 WT1 H ATOM 15631 OH2 TIP3 4928 87.304 52.671 25.032 1.00 0.00 WT1 O ATOM 15632 H1 TIP3 4928 87.011 51.793 24.788 1.00 0.00 WT1 H ATOM 15633 H2 TIP3 4928 86.668 52.964 25.685 1.00 0.00 WT1 H ATOM 15634 OH2 TIP3 4929 63.279 40.000 23.098 1.00 0.00 WT1 O ATOM 15635 H1 TIP3 4929 62.977 39.092 23.071 1.00 0.00 WT1 H ATOM 15636 H2 TIP3 4929 62.493 40.509 23.297 1.00 0.00 WT1 H ATOM 15637 OH2 TIP3 4930 41.796 91.423 -0.300 1.00 0.00 WT1 O ATOM 15638 H1 TIP3 4930 41.440 90.595 -0.622 1.00 0.00 WT1 H ATOM 15639 H2 TIP3 4930 42.586 91.175 0.179 1.00 0.00 WT1 H ATOM 15640 OH2 TIP3 4931 87.707 27.388 55.145 1.00 0.00 WT1 O ATOM 15641 H1 TIP3 4931 87.155 26.761 54.677 1.00 0.00 WT1 H ATOM 15642 H2 TIP3 4931 88.382 27.634 54.512 1.00 0.00 WT1 H ATOM 15643 OH2 TIP3 4932 36.154 49.995 46.764 1.00 0.00 WT1 O ATOM 15644 H1 TIP3 4932 36.362 49.418 47.499 1.00 0.00 WT1 H ATOM 15645 H2 TIP3 4932 36.963 50.483 46.606 1.00 0.00 WT1 H ATOM 15646 OH2 TIP3 4934 82.308 71.405 3.506 1.00 0.00 WT1 O ATOM 15647 H1 TIP3 4934 81.416 71.407 3.856 1.00 0.00 WT1 H ATOM 15648 H2 TIP3 4934 82.289 70.751 2.808 1.00 0.00 WT1 H ATOM 15649 OH2 TIP3 4935 41.879 47.537 -0.175 1.00 0.00 WT1 O ATOM 15650 H1 TIP3 4935 42.771 47.504 0.170 1.00 0.00 WT1 H ATOM 15651 H2 TIP3 4935 41.327 47.653 0.598 1.00 0.00 WT1 H ATOM 15652 OH2 TIP3 4936 83.931 23.899 -8.351 1.00 0.00 WT1 O ATOM 15653 H1 TIP3 4936 83.048 23.544 -8.253 1.00 0.00 WT1 H ATOM 15654 H2 TIP3 4936 84.428 23.197 -8.770 1.00 0.00 WT1 H ATOM 15655 OH2 TIP3 4937 37.862 50.221 65.098 1.00 0.00 WT1 O ATOM 15656 H1 TIP3 4937 37.101 50.765 64.897 1.00 0.00 WT1 H ATOM 15657 H2 TIP3 4937 38.226 49.992 64.243 1.00 0.00 WT1 H ATOM 15658 OH2 TIP3 4938 75.514 91.957 57.002 1.00 0.00 WT1 O ATOM 15659 H1 TIP3 4938 75.627 92.809 56.582 1.00 0.00 WT1 H ATOM 15660 H2 TIP3 4938 74.969 91.459 56.392 1.00 0.00 WT1 H ATOM 15661 OH2 TIP3 4939 70.030 13.822 -3.616 1.00 0.00 WT1 O ATOM 15662 H1 TIP3 4939 70.394 14.706 -3.658 1.00 0.00 WT1 H ATOM 15663 H2 TIP3 4939 69.586 13.785 -2.769 1.00 0.00 WT1 H ATOM 15664 OH2 TIP3 4940 60.987 71.411 35.521 1.00 0.00 WT1 O ATOM 15665 H1 TIP3 4940 60.259 71.943 35.198 1.00 0.00 WT1 H ATOM 15666 H2 TIP3 4940 61.025 70.667 34.920 1.00 0.00 WT1 H ATOM 15667 OH2 TIP3 4941 85.144 26.528 49.335 1.00 0.00 WT1 O ATOM 15668 H1 TIP3 4941 85.112 27.485 49.306 1.00 0.00 WT1 H ATOM 15669 H2 TIP3 4941 85.200 26.318 50.267 1.00 0.00 WT1 H ATOM 15670 OH2 TIP3 4942 81.091 31.117 17.418 1.00 0.00 WT1 O ATOM 15671 H1 TIP3 4942 82.025 31.259 17.575 1.00 0.00 WT1 H ATOM 15672 H2 TIP3 4942 80.748 31.986 17.209 1.00 0.00 WT1 H ATOM 15673 OH2 TIP3 4943 23.683 65.519 67.085 1.00 0.00 WT1 O ATOM 15674 H1 TIP3 4943 24.291 65.146 66.447 1.00 0.00 WT1 H ATOM 15675 H2 TIP3 4943 24.191 66.196 67.533 1.00 0.00 WT1 H ATOM 15676 OH2 TIP3 4947 59.115 0.740 25.822 1.00 0.00 WT1 O ATOM 15677 H1 TIP3 4947 58.885 1.373 25.141 1.00 0.00 WT1 H ATOM 15678 H2 TIP3 4947 59.091 1.243 26.636 1.00 0.00 WT1 H ATOM 15679 OH2 TIP3 4948 42.806 26.719 27.628 1.00 0.00 WT1 O ATOM 15680 H1 TIP3 4948 42.136 27.340 27.343 1.00 0.00 WT1 H ATOM 15681 H2 TIP3 4948 42.415 25.858 27.476 1.00 0.00 WT1 H ATOM 15682 OH2 TIP3 4949 79.674 14.295 40.908 1.00 0.00 WT1 O ATOM 15683 H1 TIP3 4949 80.501 13.856 40.706 1.00 0.00 WT1 H ATOM 15684 H2 TIP3 4949 79.069 13.988 40.233 1.00 0.00 WT1 H ATOM 15685 OH2 TIP3 4950 86.124 64.102 48.716 1.00 0.00 WT1 O ATOM 15686 H1 TIP3 4950 86.993 64.495 48.637 1.00 0.00 WT1 H ATOM 15687 H2 TIP3 4950 85.726 64.224 47.854 1.00 0.00 WT1 H ATOM 15688 OH2 TIP3 4951 66.658 55.215 7.218 1.00 0.00 WT1 O ATOM 15689 H1 TIP3 4951 65.762 55.103 6.901 1.00 0.00 WT1 H ATOM 15690 H2 TIP3 4951 66.607 55.023 8.154 1.00 0.00 WT1 H ATOM 15691 OH2 TIP3 4952 57.740 65.415 -7.013 1.00 0.00 WT1 O ATOM 15692 H1 TIP3 4952 58.200 64.633 -6.710 1.00 0.00 WT1 H ATOM 15693 H2 TIP3 4952 58.161 65.635 -7.844 1.00 0.00 WT1 H ATOM 15694 OH2 TIP3 4953 86.461 75.095 -1.312 1.00 0.00 WT1 O ATOM 15695 H1 TIP3 4953 86.922 74.824 -0.518 1.00 0.00 WT1 H ATOM 15696 H2 TIP3 4953 85.949 74.327 -1.566 1.00 0.00 WT1 H ATOM 15697 OH2 TIP3 4954 30.378 51.550 2.303 1.00 0.00 WT1 O ATOM 15698 H1 TIP3 4954 31.244 51.208 2.080 1.00 0.00 WT1 H ATOM 15699 H2 TIP3 4954 30.449 51.803 3.223 1.00 0.00 WT1 H ATOM 15700 OH2 TIP3 4955 42.176 81.510 -19.709 1.00 0.00 WT1 O ATOM 15701 H1 TIP3 4955 42.347 82.419 -19.953 1.00 0.00 WT1 H ATOM 15702 H2 TIP3 4955 42.045 81.536 -18.761 1.00 0.00 WT1 H ATOM 15703 OH2 TIP3 4956 85.000 31.910 -14.211 1.00 0.00 WT1 O ATOM 15704 H1 TIP3 4956 85.645 32.529 -13.868 1.00 0.00 WT1 H ATOM 15705 H2 TIP3 4956 84.209 32.080 -13.700 1.00 0.00 WT1 H ATOM 15706 OH2 TIP3 4957 88.632 49.639 -9.467 1.00 0.00 WT1 O ATOM 15707 H1 TIP3 4957 88.351 48.947 -8.869 1.00 0.00 WT1 H ATOM 15708 H2 TIP3 4957 89.310 50.113 -8.986 1.00 0.00 WT1 H ATOM 15709 OH2 TIP3 4958 49.271 83.452 51.330 1.00 0.00 WT1 O ATOM 15710 H1 TIP3 4958 48.821 82.675 51.661 1.00 0.00 WT1 H ATOM 15711 H2 TIP3 4958 49.600 83.191 50.470 1.00 0.00 WT1 H ATOM 15712 OH2 TIP3 4959 57.963 7.844 -0.302 1.00 0.00 WT1 O ATOM 15713 H1 TIP3 4959 58.496 7.762 -1.092 1.00 0.00 WT1 H ATOM 15714 H2 TIP3 4959 58.588 8.072 0.387 1.00 0.00 WT1 H ATOM 15715 OH2 TIP3 4960 47.404 62.364 -16.171 1.00 0.00 WT1 O ATOM 15716 H1 TIP3 4960 47.875 62.875 -16.829 1.00 0.00 WT1 H ATOM 15717 H2 TIP3 4960 46.597 62.855 -16.018 1.00 0.00 WT1 H ATOM 15718 OH2 TIP3 4962 31.820 11.160 -4.372 1.00 0.00 WT1 O ATOM 15719 H1 TIP3 4962 32.131 11.180 -5.277 1.00 0.00 WT1 H ATOM 15720 H2 TIP3 4962 30.951 10.761 -4.426 1.00 0.00 WT1 H ATOM 15721 OH2 TIP3 4963 62.118 3.768 7.027 1.00 0.00 WT1 O ATOM 15722 H1 TIP3 4963 62.640 4.521 6.751 1.00 0.00 WT1 H ATOM 15723 H2 TIP3 4963 61.213 4.081 7.001 1.00 0.00 WT1 H ATOM 15724 OH2 TIP3 4964 59.139 26.390 13.852 1.00 0.00 WT1 O ATOM 15725 H1 TIP3 4964 59.430 26.796 14.668 1.00 0.00 WT1 H ATOM 15726 H2 TIP3 4964 58.184 26.373 13.918 1.00 0.00 WT1 H ATOM 15727 OH2 TIP3 4965 31.404 19.203 25.462 1.00 0.00 WT1 O ATOM 15728 H1 TIP3 4965 31.416 19.838 26.178 1.00 0.00 WT1 H ATOM 15729 H2 TIP3 4965 31.659 19.708 24.690 1.00 0.00 WT1 H ATOM 15730 OH2 TIP3 4966 51.037 21.524 56.103 1.00 0.00 WT1 O ATOM 15731 H1 TIP3 4966 50.921 21.357 55.168 1.00 0.00 WT1 H ATOM 15732 H2 TIP3 4966 50.209 21.913 56.382 1.00 0.00 WT1 H ATOM 15733 OH2 TIP3 4967 41.361 80.542 2.428 1.00 0.00 WT1 O ATOM 15734 H1 TIP3 4967 41.841 80.109 1.722 1.00 0.00 WT1 H ATOM 15735 H2 TIP3 4967 41.889 80.382 3.211 1.00 0.00 WT1 H ATOM 15736 OH2 TIP3 4968 32.068 85.457 -3.860 1.00 0.00 WT1 O ATOM 15737 H1 TIP3 4968 32.926 85.364 -3.446 1.00 0.00 WT1 H ATOM 15738 H2 TIP3 4968 31.485 84.914 -3.328 1.00 0.00 WT1 H ATOM 15739 OH2 TIP3 4970 65.059 89.971 32.620 1.00 0.00 WT1 O ATOM 15740 H1 TIP3 4970 65.210 89.320 33.306 1.00 0.00 WT1 H ATOM 15741 H2 TIP3 4970 64.107 90.062 32.582 1.00 0.00 WT1 H ATOM 15742 OH2 TIP3 4971 39.594 55.899 4.537 1.00 0.00 WT1 O ATOM 15743 H1 TIP3 4971 39.415 56.161 5.440 1.00 0.00 WT1 H ATOM 15744 H2 TIP3 4971 39.286 56.636 4.008 1.00 0.00 WT1 H ATOM 15745 OH2 TIP3 4973 45.522 31.092 -16.949 1.00 0.00 WT1 O ATOM 15746 H1 TIP3 4973 45.129 30.233 -17.104 1.00 0.00 WT1 H ATOM 15747 H2 TIP3 4973 44.995 31.473 -16.246 1.00 0.00 WT1 H ATOM 15748 OH2 TIP3 4974 29.741 33.708 42.303 1.00 0.00 WT1 O ATOM 15749 H1 TIP3 4974 30.072 34.334 42.947 1.00 0.00 WT1 H ATOM 15750 H2 TIP3 4974 29.827 32.856 42.731 1.00 0.00 WT1 H ATOM 15751 OH2 TIP3 4975 31.946 44.525 46.055 1.00 0.00 WT1 O ATOM 15752 H1 TIP3 4975 32.236 45.285 45.550 1.00 0.00 WT1 H ATOM 15753 H2 TIP3 4975 32.310 44.665 46.929 1.00 0.00 WT1 H ATOM 15754 OH2 TIP3 4976 52.191 11.337 55.635 1.00 0.00 WT1 O ATOM 15755 H1 TIP3 4976 51.240 11.316 55.740 1.00 0.00 WT1 H ATOM 15756 H2 TIP3 4976 52.392 10.561 55.112 1.00 0.00 WT1 H ATOM 15757 OH2 TIP3 4977 72.951 93.539 53.577 1.00 0.00 WT1 O ATOM 15758 H1 TIP3 4977 73.016 93.078 54.413 1.00 0.00 WT1 H ATOM 15759 H2 TIP3 4977 72.532 92.911 52.988 1.00 0.00 WT1 H ATOM 15760 OH2 TIP3 4978 72.715 29.822 12.757 1.00 0.00 WT1 O ATOM 15761 H1 TIP3 4978 71.815 29.833 12.430 1.00 0.00 WT1 H ATOM 15762 H2 TIP3 4978 72.784 30.611 13.295 1.00 0.00 WT1 H ATOM 15763 OH2 TIP3 4979 52.909 50.414 -6.830 1.00 0.00 WT1 O ATOM 15764 H1 TIP3 4979 52.356 51.177 -7.000 1.00 0.00 WT1 H ATOM 15765 H2 TIP3 4979 53.466 50.679 -6.098 1.00 0.00 WT1 H ATOM 15766 OH2 TIP3 4980 51.791 37.602 -12.202 1.00 0.00 WT1 O ATOM 15767 H1 TIP3 4980 51.009 37.182 -12.559 1.00 0.00 WT1 H ATOM 15768 H2 TIP3 4980 51.835 37.295 -11.296 1.00 0.00 WT1 H ATOM 15769 OH2 TIP3 4981 28.062 44.812 -17.099 1.00 0.00 WT1 O ATOM 15770 H1 TIP3 4981 27.353 44.380 -17.576 1.00 0.00 WT1 H ATOM 15771 H2 TIP3 4981 28.318 44.182 -16.426 1.00 0.00 WT1 H ATOM 15772 OH2 TIP3 4982 78.896 5.031 -3.000 1.00 0.00 WT1 O ATOM 15773 H1 TIP3 4982 77.972 4.888 -3.205 1.00 0.00 WT1 H ATOM 15774 H2 TIP3 4982 78.903 5.257 -2.070 1.00 0.00 WT1 H ATOM 15775 OH2 TIP3 4983 36.177 5.337 56.795 1.00 0.00 WT1 O ATOM 15776 H1 TIP3 4983 36.858 4.668 56.858 1.00 0.00 WT1 H ATOM 15777 H2 TIP3 4983 36.613 6.148 57.058 1.00 0.00 WT1 H ATOM 15778 OH2 TIP3 4984 54.651 7.923 34.038 1.00 0.00 WT1 O ATOM 15779 H1 TIP3 4984 54.361 8.433 33.282 1.00 0.00 WT1 H ATOM 15780 H2 TIP3 4984 55.420 7.447 33.725 1.00 0.00 WT1 H ATOM 15781 OH2 TIP3 4985 86.633 78.183 26.321 1.00 0.00 WT1 O ATOM 15782 H1 TIP3 4985 86.830 77.832 27.190 1.00 0.00 WT1 H ATOM 15783 H2 TIP3 4985 87.444 78.066 25.826 1.00 0.00 WT1 H ATOM 15784 OH2 TIP3 4986 50.621 35.836 3.911 1.00 0.00 WT1 O ATOM 15785 H1 TIP3 4986 51.187 36.602 3.818 1.00 0.00 WT1 H ATOM 15786 H2 TIP3 4986 51.114 35.240 4.474 1.00 0.00 WT1 H ATOM 15787 OH2 TIP3 4988 29.276 70.754 61.420 1.00 0.00 WT1 O ATOM 15788 H1 TIP3 4988 29.933 70.057 61.432 1.00 0.00 WT1 H ATOM 15789 H2 TIP3 4988 29.056 70.860 60.494 1.00 0.00 WT1 H ATOM 15790 OH2 TIP3 4991 72.902 11.206 -2.059 1.00 0.00 WT1 O ATOM 15791 H1 TIP3 4991 73.846 11.249 -1.906 1.00 0.00 WT1 H ATOM 15792 H2 TIP3 4991 72.789 11.521 -2.955 1.00 0.00 WT1 H ATOM 15793 OH2 TIP3 4992 82.278 72.696 -13.908 1.00 0.00 WT1 O ATOM 15794 H1 TIP3 4992 82.156 73.489 -13.385 1.00 0.00 WT1 H ATOM 15795 H2 TIP3 4992 81.396 72.338 -14.008 1.00 0.00 WT1 H ATOM 15796 OH2 TIP3 4993 49.939 10.408 12.621 1.00 0.00 WT1 O ATOM 15797 H1 TIP3 4993 49.298 11.116 12.689 1.00 0.00 WT1 H ATOM 15798 H2 TIP3 4993 50.784 10.855 12.572 1.00 0.00 WT1 H ATOM 15799 OH2 TIP3 4994 46.875 4.897 34.382 1.00 0.00 WT1 O ATOM 15800 H1 TIP3 4994 46.442 4.625 35.192 1.00 0.00 WT1 H ATOM 15801 H2 TIP3 4994 47.162 4.078 33.978 1.00 0.00 WT1 H ATOM 15802 OH2 TIP3 4995 53.756 44.377 -19.206 1.00 0.00 WT1 O ATOM 15803 H1 TIP3 4995 53.649 45.309 -19.397 1.00 0.00 WT1 H ATOM 15804 H2 TIP3 4995 52.863 44.053 -19.085 1.00 0.00 WT1 H ATOM 15805 OH2 TIP3 4996 63.248 75.930 52.960 1.00 0.00 WT1 O ATOM 15806 H1 TIP3 4996 64.037 76.090 52.442 1.00 0.00 WT1 H ATOM 15807 H2 TIP3 4996 62.540 76.315 52.443 1.00 0.00 WT1 H ATOM 15808 OH2 TIP3 4997 81.110 25.723 38.122 1.00 0.00 WT1 O ATOM 15809 H1 TIP3 4997 80.663 25.309 37.384 1.00 0.00 WT1 H ATOM 15810 H2 TIP3 4997 81.129 25.049 38.801 1.00 0.00 WT1 H ATOM 15811 OH2 TIP3 4998 76.521 36.626 -13.212 1.00 0.00 WT1 O ATOM 15812 H1 TIP3 4998 77.121 36.064 -12.722 1.00 0.00 WT1 H ATOM 15813 H2 TIP3 4998 76.927 36.716 -14.074 1.00 0.00 WT1 H ATOM 15814 OH2 TIP3 4999 57.493 91.327 12.092 1.00 0.00 WT1 O ATOM 15815 H1 TIP3 4999 57.171 92.225 12.177 1.00 0.00 WT1 H ATOM 15816 H2 TIP3 4999 57.126 91.018 11.264 1.00 0.00 WT1 H ATOM 15817 OH2 TIP3 5000 27.185 1.433 4.022 1.00 0.00 WT1 O ATOM 15818 H1 TIP3 5000 27.271 1.472 3.069 1.00 0.00 WT1 H ATOM 15819 H2 TIP3 5000 27.190 0.498 4.225 1.00 0.00 WT1 H ATOM 15820 OH2 TIP3 5001 61.652 4.240 -18.515 1.00 0.00 WT1 O ATOM 15821 H1 TIP3 5001 62.404 4.463 -19.065 1.00 0.00 WT1 H ATOM 15822 H2 TIP3 5001 61.784 4.744 -17.712 1.00 0.00 WT1 H ATOM 15823 OH2 TIP3 5002 86.754 30.724 1.947 1.00 0.00 WT1 O ATOM 15824 H1 TIP3 5002 86.392 30.464 2.794 1.00 0.00 WT1 H ATOM 15825 H2 TIP3 5002 87.384 30.035 1.734 1.00 0.00 WT1 H ATOM 15826 OH2 TIP3 5003 73.569 4.912 52.691 1.00 0.00 WT1 O ATOM 15827 H1 TIP3 5003 74.051 4.610 53.461 1.00 0.00 WT1 H ATOM 15828 H2 TIP3 5003 73.132 4.127 52.359 1.00 0.00 WT1 H ATOM 15829 OH2 TIP3 5004 60.190 31.072 12.892 1.00 0.00 WT1 O ATOM 15830 H1 TIP3 5004 60.481 31.247 11.998 1.00 0.00 WT1 H ATOM 15831 H2 TIP3 5004 59.367 30.595 12.787 1.00 0.00 WT1 H ATOM 15832 OH2 TIP3 5005 59.023 92.417 56.030 1.00 0.00 WT1 O ATOM 15833 H1 TIP3 5005 59.083 92.185 56.957 1.00 0.00 WT1 H ATOM 15834 H2 TIP3 5005 59.295 91.625 55.566 1.00 0.00 WT1 H ATOM 15835 OH2 TIP3 5007 46.161 31.362 1.738 1.00 0.00 WT1 O ATOM 15836 H1 TIP3 5007 46.517 31.767 0.947 1.00 0.00 WT1 H ATOM 15837 H2 TIP3 5007 46.788 31.587 2.426 1.00 0.00 WT1 H ATOM 15838 OH2 TIP3 5008 59.598 37.818 -2.846 1.00 0.00 WT1 O ATOM 15839 H1 TIP3 5008 59.399 36.908 -2.626 1.00 0.00 WT1 H ATOM 15840 H2 TIP3 5008 60.467 37.970 -2.476 1.00 0.00 WT1 H ATOM 15841 OH2 TIP3 5009 53.779 6.075 66.392 1.00 0.00 WT1 O ATOM 15842 H1 TIP3 5009 54.199 5.729 65.605 1.00 0.00 WT1 H ATOM 15843 H2 TIP3 5009 54.435 6.654 66.780 1.00 0.00 WT1 H ATOM 15844 OH2 TIP3 5010 81.569 32.698 12.196 1.00 0.00 WT1 O ATOM 15845 H1 TIP3 5010 81.994 32.434 11.381 1.00 0.00 WT1 H ATOM 15846 H2 TIP3 5010 81.665 31.940 12.773 1.00 0.00 WT1 H ATOM 15847 OH2 TIP3 5011 66.619 5.385 35.151 1.00 0.00 WT1 O ATOM 15848 H1 TIP3 5011 66.783 6.325 35.229 1.00 0.00 WT1 H ATOM 15849 H2 TIP3 5011 65.695 5.322 34.910 1.00 0.00 WT1 H ATOM 15850 OH2 TIP3 5013 61.714 21.415 3.262 1.00 0.00 WT1 O ATOM 15851 H1 TIP3 5013 60.803 21.509 2.985 1.00 0.00 WT1 H ATOM 15852 H2 TIP3 5013 61.931 22.255 3.666 1.00 0.00 WT1 H ATOM 15853 OH2 TIP3 5014 56.412 19.442 12.756 1.00 0.00 WT1 O ATOM 15854 H1 TIP3 5014 55.504 19.709 12.901 1.00 0.00 WT1 H ATOM 15855 H2 TIP3 5014 56.352 18.714 12.138 1.00 0.00 WT1 H ATOM 15856 OH2 TIP3 5015 32.557 93.970 61.645 1.00 0.00 WT1 O ATOM 15857 H1 TIP3 5015 31.760 94.375 61.302 1.00 0.00 WT1 H ATOM 15858 H2 TIP3 5015 33.012 93.643 60.869 1.00 0.00 WT1 H ATOM 15859 OH2 TIP3 5016 57.977 91.871 44.773 1.00 0.00 WT1 O ATOM 15860 H1 TIP3 5016 57.508 92.637 44.443 1.00 0.00 WT1 H ATOM 15861 H2 TIP3 5016 57.979 91.256 44.039 1.00 0.00 WT1 H ATOM 15862 OH2 TIP3 5017 71.480 94.662 28.590 1.00 0.00 WT1 O ATOM 15863 H1 TIP3 5017 70.664 94.600 28.092 1.00 0.00 WT1 H ATOM 15864 H2 TIP3 5017 71.532 93.835 29.068 1.00 0.00 WT1 H ATOM 15865 OH2 TIP3 5018 29.674 88.208 -1.258 1.00 0.00 WT1 O ATOM 15866 H1 TIP3 5018 29.302 87.565 -0.655 1.00 0.00 WT1 H ATOM 15867 H2 TIP3 5018 30.525 88.428 -0.880 1.00 0.00 WT1 H ATOM 15868 OH2 TIP3 5019 23.959 22.515 -13.946 1.00 0.00 WT1 O ATOM 15869 H1 TIP3 5019 23.934 22.067 -14.792 1.00 0.00 WT1 H ATOM 15870 H2 TIP3 5019 24.890 22.652 -13.774 1.00 0.00 WT1 H ATOM 15871 OH2 TIP3 5020 40.854 8.023 45.506 1.00 0.00 WT1 O ATOM 15872 H1 TIP3 5020 41.097 7.108 45.648 1.00 0.00 WT1 H ATOM 15873 H2 TIP3 5020 39.911 7.998 45.341 1.00 0.00 WT1 H ATOM 15874 OH2 TIP3 5021 24.662 6.712 -15.500 1.00 0.00 WT1 O ATOM 15875 H1 TIP3 5021 25.412 6.726 -14.906 1.00 0.00 WT1 H ATOM 15876 H2 TIP3 5021 25.030 6.447 -16.343 1.00 0.00 WT1 H ATOM 15877 OH2 TIP3 5022 87.700 53.772 -2.235 1.00 0.00 WT1 O ATOM 15878 H1 TIP3 5022 88.178 53.754 -1.406 1.00 0.00 WT1 H ATOM 15879 H2 TIP3 5022 87.069 53.055 -2.164 1.00 0.00 WT1 H ATOM 15880 OH2 TIP3 5023 20.175 69.615 -7.114 1.00 0.00 WT1 O ATOM 15881 H1 TIP3 5023 20.135 68.977 -7.827 1.00 0.00 WT1 H ATOM 15882 H2 TIP3 5023 21.099 69.640 -6.866 1.00 0.00 WT1 H ATOM 15883 OH2 TIP3 5024 23.502 66.786 64.160 1.00 0.00 WT1 O ATOM 15884 H1 TIP3 5024 23.928 66.088 64.659 1.00 0.00 WT1 H ATOM 15885 H2 TIP3 5024 23.082 66.335 63.428 1.00 0.00 WT1 H ATOM 15886 OH2 TIP3 5025 42.317 95.006 16.772 1.00 0.00 WT1 O ATOM 15887 H1 TIP3 5025 43.138 94.609 16.482 1.00 0.00 WT1 H ATOM 15888 H2 TIP3 5025 41.920 94.346 17.341 1.00 0.00 WT1 H ATOM 15889 OH2 TIP3 5031 90.145 28.608 34.239 1.00 0.00 WT1 O ATOM 15890 H1 TIP3 5031 90.506 27.878 33.735 1.00 0.00 WT1 H ATOM 15891 H2 TIP3 5031 89.246 28.345 34.433 1.00 0.00 WT1 H ATOM 15892 OH2 TIP3 5033 37.780 30.042 52.433 1.00 0.00 WT1 O ATOM 15893 H1 TIP3 5033 38.014 29.122 52.314 1.00 0.00 WT1 H ATOM 15894 H2 TIP3 5033 38.178 30.489 51.685 1.00 0.00 WT1 H ATOM 15895 OH2 TIP3 5035 58.804 26.442 -14.769 1.00 0.00 WT1 O ATOM 15896 H1 TIP3 5035 59.652 26.826 -14.546 1.00 0.00 WT1 H ATOM 15897 H2 TIP3 5035 58.208 27.189 -14.818 1.00 0.00 WT1 H ATOM 15898 OH2 TIP3 5038 61.903 24.709 25.653 1.00 0.00 WT1 O ATOM 15899 H1 TIP3 5038 62.033 24.174 24.870 1.00 0.00 WT1 H ATOM 15900 H2 TIP3 5038 60.977 24.949 25.629 1.00 0.00 WT1 H ATOM 15901 OH2 TIP3 5039 71.890 48.414 29.500 1.00 0.00 WT1 O ATOM 15902 H1 TIP3 5039 71.174 49.022 29.319 1.00 0.00 WT1 H ATOM 15903 H2 TIP3 5039 71.484 47.707 30.002 1.00 0.00 WT1 H ATOM 15904 OH2 TIP3 5040 79.545 39.274 -15.887 1.00 0.00 WT1 O ATOM 15905 H1 TIP3 5040 79.141 40.050 -16.276 1.00 0.00 WT1 H ATOM 15906 H2 TIP3 5040 80.223 39.621 -15.307 1.00 0.00 WT1 H ATOM 15907 OH2 TIP3 5041 80.214 93.848 39.800 1.00 0.00 WT1 O ATOM 15908 H1 TIP3 5041 80.212 94.791 39.638 1.00 0.00 WT1 H ATOM 15909 H2 TIP3 5041 80.617 93.471 39.018 1.00 0.00 WT1 H ATOM 15910 OH2 TIP3 5043 44.097 37.432 41.358 1.00 0.00 WT1 O ATOM 15911 H1 TIP3 5043 44.147 38.232 41.882 1.00 0.00 WT1 H ATOM 15912 H2 TIP3 5043 44.812 37.514 40.727 1.00 0.00 WT1 H ATOM 15913 OH2 TIP3 5044 23.780 13.185 43.174 1.00 0.00 WT1 O ATOM 15914 H1 TIP3 5044 24.675 13.204 43.511 1.00 0.00 WT1 H ATOM 15915 H2 TIP3 5044 23.236 13.429 43.922 1.00 0.00 WT1 H ATOM 15916 OH2 TIP3 5045 50.033 46.146 -6.676 1.00 0.00 WT1 O ATOM 15917 H1 TIP3 5045 50.802 46.703 -6.797 1.00 0.00 WT1 H ATOM 15918 H2 TIP3 5045 50.060 45.899 -5.752 1.00 0.00 WT1 H ATOM 15919 OH2 TIP3 5046 60.736 27.099 5.882 1.00 0.00 WT1 O ATOM 15920 H1 TIP3 5046 60.699 27.040 6.837 1.00 0.00 WT1 H ATOM 15921 H2 TIP3 5046 61.565 27.540 5.700 1.00 0.00 WT1 H ATOM 15922 OH2 TIP3 5047 59.253 14.999 22.561 1.00 0.00 WT1 O ATOM 15923 H1 TIP3 5047 58.890 14.424 21.888 1.00 0.00 WT1 H ATOM 15924 H2 TIP3 5047 60.065 14.570 22.831 1.00 0.00 WT1 H ATOM 15925 OH2 TIP3 5048 68.887 78.308 56.974 1.00 0.00 WT1 O ATOM 15926 H1 TIP3 5048 69.049 78.741 57.813 1.00 0.00 WT1 H ATOM 15927 H2 TIP3 5048 69.728 78.345 56.519 1.00 0.00 WT1 H ATOM 15928 OH2 TIP3 5049 55.024 9.690 16.263 1.00 0.00 WT1 O ATOM 15929 H1 TIP3 5049 54.545 10.514 16.167 1.00 0.00 WT1 H ATOM 15930 H2 TIP3 5049 55.333 9.696 17.169 1.00 0.00 WT1 H ATOM 15931 OH2 TIP3 5050 63.386 7.061 21.546 1.00 0.00 WT1 O ATOM 15932 H1 TIP3 5050 63.296 7.712 22.242 1.00 0.00 WT1 H ATOM 15933 H2 TIP3 5050 62.827 6.335 21.823 1.00 0.00 WT1 H ATOM 15934 OH2 TIP3 5051 64.242 59.785 42.477 1.00 0.00 WT1 O ATOM 15935 H1 TIP3 5051 63.304 59.635 42.593 1.00 0.00 WT1 H ATOM 15936 H2 TIP3 5051 64.628 59.558 43.324 1.00 0.00 WT1 H ATOM 15937 OH2 TIP3 5055 23.997 58.728 35.110 1.00 0.00 WT1 O ATOM 15938 H1 TIP3 5055 24.705 59.372 35.114 1.00 0.00 WT1 H ATOM 15939 H2 TIP3 5055 24.221 58.129 34.398 1.00 0.00 WT1 H ATOM 15940 OH2 TIP3 5056 35.307 55.764 4.302 1.00 0.00 WT1 O ATOM 15941 H1 TIP3 5056 34.688 56.411 3.964 1.00 0.00 WT1 H ATOM 15942 H2 TIP3 5056 35.587 56.119 5.146 1.00 0.00 WT1 H ATOM 15943 OH2 TIP3 5057 68.564 29.468 23.949 1.00 0.00 WT1 O ATOM 15944 H1 TIP3 5057 67.924 29.232 23.277 1.00 0.00 WT1 H ATOM 15945 H2 TIP3 5057 68.138 29.240 24.776 1.00 0.00 WT1 H ATOM 15946 OH2 TIP3 5058 69.967 9.266 61.287 1.00 0.00 WT1 O ATOM 15947 H1 TIP3 5058 70.874 9.182 61.581 1.00 0.00 WT1 H ATOM 15948 H2 TIP3 5058 69.665 8.364 61.177 1.00 0.00 WT1 H ATOM 15949 OH2 TIP3 5059 73.355 27.114 32.383 1.00 0.00 WT1 O ATOM 15950 H1 TIP3 5059 74.032 27.315 31.737 1.00 0.00 WT1 H ATOM 15951 H2 TIP3 5059 72.532 27.190 31.900 1.00 0.00 WT1 H ATOM 15952 OH2 TIP3 5060 82.329 83.621 -15.096 1.00 0.00 WT1 O ATOM 15953 H1 TIP3 5060 82.261 82.792 -14.621 1.00 0.00 WT1 H ATOM 15954 H2 TIP3 5060 82.940 84.145 -14.578 1.00 0.00 WT1 H ATOM 15955 OH2 TIP3 5061 75.019 22.606 65.019 1.00 0.00 WT1 O ATOM 15956 H1 TIP3 5061 75.850 22.876 64.627 1.00 0.00 WT1 H ATOM 15957 H2 TIP3 5061 75.187 21.726 65.356 1.00 0.00 WT1 H ATOM 15958 OH2 TIP3 5062 38.926 28.556 24.757 1.00 0.00 WT1 O ATOM 15959 H1 TIP3 5062 38.210 29.180 24.876 1.00 0.00 WT1 H ATOM 15960 H2 TIP3 5062 38.564 27.883 24.180 1.00 0.00 WT1 H ATOM 15961 OH2 TIP3 5063 83.448 43.273 26.022 1.00 0.00 WT1 O ATOM 15962 H1 TIP3 5063 82.884 44.003 25.766 1.00 0.00 WT1 H ATOM 15963 H2 TIP3 5063 82.885 42.502 25.960 1.00 0.00 WT1 H ATOM 15964 OH2 TIP3 5064 56.155 80.211 -12.464 1.00 0.00 WT1 O ATOM 15965 H1 TIP3 5064 56.141 79.349 -12.048 1.00 0.00 WT1 H ATOM 15966 H2 TIP3 5064 55.634 80.102 -13.259 1.00 0.00 WT1 H ATOM 15967 OH2 TIP3 5065 43.507 76.759 16.237 1.00 0.00 WT1 O ATOM 15968 H1 TIP3 5065 44.253 76.633 15.649 1.00 0.00 WT1 H ATOM 15969 H2 TIP3 5065 43.391 75.909 16.662 1.00 0.00 WT1 H ATOM 15970 OH2 TIP3 5066 82.828 20.111 -17.371 1.00 0.00 WT1 O ATOM 15971 H1 TIP3 5066 83.199 19.786 -16.551 1.00 0.00 WT1 H ATOM 15972 H2 TIP3 5066 82.021 19.610 -17.484 1.00 0.00 WT1 H ATOM 15973 OH2 TIP3 5067 50.099 1.789 -19.293 1.00 0.00 WT1 O ATOM 15974 H1 TIP3 5067 50.102 2.706 -19.567 1.00 0.00 WT1 H ATOM 15975 H2 TIP3 5067 50.125 1.824 -18.337 1.00 0.00 WT1 H ATOM 15976 OH2 TIP3 5068 72.538 11.616 10.119 1.00 0.00 WT1 O ATOM 15977 H1 TIP3 5068 72.382 10.848 10.669 1.00 0.00 WT1 H ATOM 15978 H2 TIP3 5068 73.474 11.791 10.211 1.00 0.00 WT1 H ATOM 15979 OH2 TIP3 5069 25.646 0.418 6.409 1.00 0.00 WT1 O ATOM 15980 H1 TIP3 5069 25.352 0.899 5.635 1.00 0.00 WT1 H ATOM 15981 H2 TIP3 5069 26.057 -0.372 6.058 1.00 0.00 WT1 H ATOM 15982 OH2 TIP3 5070 31.530 50.804 24.252 1.00 0.00 WT1 O ATOM 15983 H1 TIP3 5070 32.417 50.461 24.141 1.00 0.00 WT1 H ATOM 15984 H2 TIP3 5070 31.616 51.478 24.926 1.00 0.00 WT1 H ATOM 15985 OH2 TIP3 5072 52.999 59.680 51.431 1.00 0.00 WT1 O ATOM 15986 H1 TIP3 5072 52.235 59.188 51.132 1.00 0.00 WT1 H ATOM 15987 H2 TIP3 5072 53.480 59.888 50.630 1.00 0.00 WT1 H ATOM 15988 OH2 TIP3 5073 28.666 18.599 4.679 1.00 0.00 WT1 O ATOM 15989 H1 TIP3 5073 28.963 19.434 5.042 1.00 0.00 WT1 H ATOM 15990 H2 TIP3 5073 28.255 18.832 3.847 1.00 0.00 WT1 H ATOM 15991 OH2 TIP3 5074 44.634 96.746 53.595 1.00 0.00 WT1 O ATOM 15992 H1 TIP3 5074 45.380 96.147 53.559 1.00 0.00 WT1 H ATOM 15993 H2 TIP3 5074 44.101 96.512 52.836 1.00 0.00 WT1 H ATOM 15994 OH2 TIP3 5075 81.709 21.972 -10.183 1.00 0.00 WT1 O ATOM 15995 H1 TIP3 5075 81.483 22.737 -10.713 1.00 0.00 WT1 H ATOM 15996 H2 TIP3 5075 81.672 22.287 -9.280 1.00 0.00 WT1 H ATOM 15997 OH2 TIP3 5076 43.476 85.423 -1.782 1.00 0.00 WT1 O ATOM 15998 H1 TIP3 5076 44.320 85.869 -1.713 1.00 0.00 WT1 H ATOM 15999 H2 TIP3 5076 43.059 85.566 -0.932 1.00 0.00 WT1 H ATOM 16000 OH2 TIP3 5077 73.946 16.554 66.641 1.00 0.00 WT1 O ATOM 16001 H1 TIP3 5077 73.056 16.542 66.289 1.00 0.00 WT1 H ATOM 16002 H2 TIP3 5077 74.354 15.762 66.291 1.00 0.00 WT1 H ATOM 16003 OH2 TIP3 5078 77.084 8.353 -14.248 1.00 0.00 WT1 O ATOM 16004 H1 TIP3 5078 77.912 8.094 -14.653 1.00 0.00 WT1 H ATOM 16005 H2 TIP3 5078 76.416 7.876 -14.741 1.00 0.00 WT1 H ATOM 16006 OH2 TIP3 5080 35.136 51.095 57.599 1.00 0.00 WT1 O ATOM 16007 H1 TIP3 5080 34.224 50.814 57.674 1.00 0.00 WT1 H ATOM 16008 H2 TIP3 5080 35.128 51.755 56.906 1.00 0.00 WT1 H ATOM 16009 OH2 TIP3 5081 89.991 82.023 53.172 1.00 0.00 WT1 O ATOM 16010 H1 TIP3 5081 90.246 81.804 54.069 1.00 0.00 WT1 H ATOM 16011 H2 TIP3 5081 90.812 82.257 52.740 1.00 0.00 WT1 H ATOM 16012 OH2 TIP3 5082 57.263 34.854 36.869 1.00 0.00 WT1 O ATOM 16013 H1 TIP3 5082 56.905 35.489 36.249 1.00 0.00 WT1 H ATOM 16014 H2 TIP3 5082 57.341 35.339 37.691 1.00 0.00 WT1 H ATOM 16015 OH2 TIP3 5084 62.278 35.883 -17.585 1.00 0.00 WT1 O ATOM 16016 H1 TIP3 5084 61.752 35.085 -17.536 1.00 0.00 WT1 H ATOM 16017 H2 TIP3 5084 61.638 36.587 -17.691 1.00 0.00 WT1 H ATOM 16018 OH2 TIP3 5085 78.670 71.017 40.640 1.00 0.00 WT1 O ATOM 16019 H1 TIP3 5085 78.024 70.721 39.999 1.00 0.00 WT1 H ATOM 16020 H2 TIP3 5085 79.188 70.236 40.837 1.00 0.00 WT1 H ATOM 16021 OH2 TIP3 5088 80.962 81.226 -5.926 1.00 0.00 WT1 O ATOM 16022 H1 TIP3 5088 80.258 81.027 -6.544 1.00 0.00 WT1 H ATOM 16023 H2 TIP3 5088 80.548 81.777 -5.261 1.00 0.00 WT1 H ATOM 16024 OH2 TIP3 5090 21.673 54.024 -13.194 1.00 0.00 WT1 O ATOM 16025 H1 TIP3 5090 22.281 54.757 -13.286 1.00 0.00 WT1 H ATOM 16026 H2 TIP3 5090 22.236 53.255 -13.105 1.00 0.00 WT1 H ATOM 16027 OH2 TIP3 5091 88.027 68.945 2.297 1.00 0.00 WT1 O ATOM 16028 H1 TIP3 5091 87.793 68.251 2.913 1.00 0.00 WT1 H ATOM 16029 H2 TIP3 5091 88.185 68.489 1.470 1.00 0.00 WT1 H ATOM 16030 OH2 TIP3 5092 71.891 30.691 16.995 1.00 0.00 WT1 O ATOM 16031 H1 TIP3 5092 71.636 31.574 17.261 1.00 0.00 WT1 H ATOM 16032 H2 TIP3 5092 71.891 30.186 17.809 1.00 0.00 WT1 H ATOM 16033 OH2 TIP3 5093 43.954 92.248 12.272 1.00 0.00 WT1 O ATOM 16034 H1 TIP3 5093 43.108 92.128 11.841 1.00 0.00 WT1 H ATOM 16035 H2 TIP3 5093 44.506 91.553 11.913 1.00 0.00 WT1 H ATOM 16036 OH2 TIP3 5096 67.554 35.621 25.521 1.00 0.00 WT1 O ATOM 16037 H1 TIP3 5096 66.995 36.265 25.955 1.00 0.00 WT1 H ATOM 16038 H2 TIP3 5096 67.412 35.771 24.586 1.00 0.00 WT1 H ATOM 16039 OH2 TIP3 5097 28.860 52.736 0.303 1.00 0.00 WT1 O ATOM 16040 H1 TIP3 5097 28.789 52.378 -0.581 1.00 0.00 WT1 H ATOM 16041 H2 TIP3 5097 29.596 52.266 0.695 1.00 0.00 WT1 H ATOM 16042 OH2 TIP3 5103 44.506 37.045 63.760 1.00 0.00 WT1 O ATOM 16043 H1 TIP3 5103 43.817 36.386 63.676 1.00 0.00 WT1 H ATOM 16044 H2 TIP3 5103 45.301 36.600 63.467 1.00 0.00 WT1 H ATOM 16045 OH2 TIP3 5104 35.560 11.012 21.064 1.00 0.00 WT1 O ATOM 16046 H1 TIP3 5104 35.476 11.611 20.322 1.00 0.00 WT1 H ATOM 16047 H2 TIP3 5104 36.497 10.821 21.113 1.00 0.00 WT1 H ATOM 16048 OH2 TIP3 5106 51.642 60.494 -8.985 1.00 0.00 WT1 O ATOM 16049 H1 TIP3 5106 52.374 60.734 -8.417 1.00 0.00 WT1 H ATOM 16050 H2 TIP3 5106 50.875 60.526 -8.413 1.00 0.00 WT1 H ATOM 16051 OH2 TIP3 5108 89.512 37.728 28.532 1.00 0.00 WT1 O ATOM 16052 H1 TIP3 5108 88.973 38.313 29.065 1.00 0.00 WT1 H ATOM 16053 H2 TIP3 5108 90.006 38.314 27.959 1.00 0.00 WT1 H ATOM 16054 OH2 TIP3 5109 59.769 90.357 65.558 1.00 0.00 WT1 O ATOM 16055 H1 TIP3 5109 60.705 90.157 65.587 1.00 0.00 WT1 H ATOM 16056 H2 TIP3 5109 59.683 91.175 66.048 1.00 0.00 WT1 H ATOM 16057 OH2 TIP3 5110 83.177 14.891 49.038 1.00 0.00 WT1 O ATOM 16058 H1 TIP3 5110 82.995 14.791 49.972 1.00 0.00 WT1 H ATOM 16059 H2 TIP3 5110 82.773 15.726 48.802 1.00 0.00 WT1 H ATOM 16060 OH2 TIP3 5111 56.148 65.681 -9.797 1.00 0.00 WT1 O ATOM 16061 H1 TIP3 5111 56.672 65.648 -10.598 1.00 0.00 WT1 H ATOM 16062 H2 TIP3 5111 55.580 64.913 -9.850 1.00 0.00 WT1 H ATOM 16063 OH2 TIP3 5114 66.565 77.338 64.028 1.00 0.00 WT1 O ATOM 16064 H1 TIP3 5114 66.532 77.192 63.083 1.00 0.00 WT1 H ATOM 16065 H2 TIP3 5114 66.108 78.169 64.159 1.00 0.00 WT1 H ATOM 16066 OH2 TIP3 5116 70.667 45.470 12.182 1.00 0.00 WT1 O ATOM 16067 H1 TIP3 5116 71.587 45.733 12.161 1.00 0.00 WT1 H ATOM 16068 H2 TIP3 5116 70.247 46.012 11.514 1.00 0.00 WT1 H ATOM 16069 OH2 TIP3 5117 24.577 79.942 36.234 1.00 0.00 WT1 O ATOM 16070 H1 TIP3 5117 24.014 79.713 36.973 1.00 0.00 WT1 H ATOM 16071 H2 TIP3 5117 23.993 79.936 35.476 1.00 0.00 WT1 H ATOM 16072 OH2 TIP3 5122 44.153 39.998 65.422 1.00 0.00 WT1 O ATOM 16073 H1 TIP3 5122 44.848 40.203 64.797 1.00 0.00 WT1 H ATOM 16074 H2 TIP3 5122 44.404 39.151 65.791 1.00 0.00 WT1 H ATOM 16075 OH2 TIP3 5124 31.714 38.746 -9.446 1.00 0.00 WT1 O ATOM 16076 H1 TIP3 5124 32.456 38.859 -8.853 1.00 0.00 WT1 H ATOM 16077 H2 TIP3 5124 32.079 38.896 -10.318 1.00 0.00 WT1 H ATOM 16078 OH2 TIP3 5125 26.022 57.147 53.149 1.00 0.00 WT1 O ATOM 16079 H1 TIP3 5125 25.390 56.962 53.843 1.00 0.00 WT1 H ATOM 16080 H2 TIP3 5125 26.784 57.501 53.606 1.00 0.00 WT1 H ATOM 16081 OH2 TIP3 5126 73.096 21.565 -13.075 1.00 0.00 WT1 O ATOM 16082 H1 TIP3 5126 73.977 21.346 -12.771 1.00 0.00 WT1 H ATOM 16083 H2 TIP3 5126 72.962 21.008 -13.842 1.00 0.00 WT1 H ATOM 16084 OH2 TIP3 5127 40.532 60.873 0.866 1.00 0.00 WT1 O ATOM 16085 H1 TIP3 5127 40.750 60.155 1.461 1.00 0.00 WT1 H ATOM 16086 H2 TIP3 5127 40.569 61.658 1.413 1.00 0.00 WT1 H ATOM 16087 OH2 TIP3 5128 53.668 7.581 36.638 1.00 0.00 WT1 O ATOM 16088 H1 TIP3 5128 53.741 7.598 35.684 1.00 0.00 WT1 H ATOM 16089 H2 TIP3 5128 53.266 8.421 36.863 1.00 0.00 WT1 H ATOM 16090 OH2 TIP3 5129 82.205 85.408 10.681 1.00 0.00 WT1 O ATOM 16091 H1 TIP3 5129 82.341 85.177 11.600 1.00 0.00 WT1 H ATOM 16092 H2 TIP3 5129 83.045 85.770 10.398 1.00 0.00 WT1 H ATOM 16093 OH2 TIP3 5130 61.914 78.282 31.927 1.00 0.00 WT1 O ATOM 16094 H1 TIP3 5130 61.248 78.561 32.555 1.00 0.00 WT1 H ATOM 16095 H2 TIP3 5130 61.578 77.461 31.568 1.00 0.00 WT1 H ATOM 16096 OH2 TIP3 5131 38.077 15.054 52.000 1.00 0.00 WT1 O ATOM 16097 H1 TIP3 5131 38.546 15.867 52.188 1.00 0.00 WT1 H ATOM 16098 H2 TIP3 5131 38.161 14.941 51.054 1.00 0.00 WT1 H ATOM 16099 OH2 TIP3 5132 51.804 21.414 15.480 1.00 0.00 WT1 O ATOM 16100 H1 TIP3 5132 51.366 20.870 14.825 1.00 0.00 WT1 H ATOM 16101 H2 TIP3 5132 51.270 22.207 15.529 1.00 0.00 WT1 H ATOM 16102 OH2 TIP3 5133 26.466 41.009 5.554 1.00 0.00 WT1 O ATOM 16103 H1 TIP3 5133 25.682 41.500 5.802 1.00 0.00 WT1 H ATOM 16104 H2 TIP3 5133 26.145 40.130 5.352 1.00 0.00 WT1 H ATOM 16105 OH2 TIP3 5134 63.142 12.797 -18.120 1.00 0.00 WT1 O ATOM 16106 H1 TIP3 5134 63.953 12.678 -17.626 1.00 0.00 WT1 H ATOM 16107 H2 TIP3 5134 62.530 13.176 -17.490 1.00 0.00 WT1 H ATOM 16108 OH2 TIP3 5135 76.615 32.313 16.291 1.00 0.00 WT1 O ATOM 16109 H1 TIP3 5135 77.164 32.636 15.577 1.00 0.00 WT1 H ATOM 16110 H2 TIP3 5135 77.201 32.274 17.047 1.00 0.00 WT1 H ATOM 16111 OH2 TIP3 5138 56.998 35.965 -13.637 1.00 0.00 WT1 O ATOM 16112 H1 TIP3 5138 57.079 36.147 -12.701 1.00 0.00 WT1 H ATOM 16113 H2 TIP3 5138 57.223 36.792 -14.064 1.00 0.00 WT1 H ATOM 16114 OH2 TIP3 5143 30.893 64.185 35.899 1.00 0.00 WT1 O ATOM 16115 H1 TIP3 5143 31.573 64.857 35.873 1.00 0.00 WT1 H ATOM 16116 H2 TIP3 5143 30.164 64.561 35.406 1.00 0.00 WT1 H ATOM 16117 OH2 TIP3 5144 90.419 38.364 -19.831 1.00 0.00 WT1 O ATOM 16118 H1 TIP3 5144 89.804 39.001 -20.194 1.00 0.00 WT1 H ATOM 16119 H2 TIP3 5144 90.649 38.715 -18.971 1.00 0.00 WT1 H ATOM 16120 OH2 TIP3 5146 54.864 63.335 -10.488 1.00 0.00 WT1 O ATOM 16121 H1 TIP3 5146 54.795 63.068 -9.571 1.00 0.00 WT1 H ATOM 16122 H2 TIP3 5146 53.994 63.171 -10.851 1.00 0.00 WT1 H ATOM 16123 OH2 TIP3 5147 45.264 36.706 49.334 1.00 0.00 WT1 O ATOM 16124 H1 TIP3 5147 45.166 36.847 48.393 1.00 0.00 WT1 H ATOM 16125 H2 TIP3 5147 44.696 35.960 49.526 1.00 0.00 WT1 H ATOM 16126 OH2 TIP3 5148 44.949 40.976 58.153 1.00 0.00 WT1 O ATOM 16127 H1 TIP3 5148 45.867 40.707 58.194 1.00 0.00 WT1 H ATOM 16128 H2 TIP3 5148 44.962 41.908 58.374 1.00 0.00 WT1 H ATOM 16129 OH2 TIP3 5149 84.305 39.035 65.644 1.00 0.00 WT1 O ATOM 16130 H1 TIP3 5149 83.880 39.448 66.396 1.00 0.00 WT1 H ATOM 16131 H2 TIP3 5149 84.866 39.719 65.279 1.00 0.00 WT1 H ATOM 16132 OH2 TIP3 5151 80.239 4.514 -14.151 1.00 0.00 WT1 O ATOM 16133 H1 TIP3 5151 80.102 3.699 -13.668 1.00 0.00 WT1 H ATOM 16134 H2 TIP3 5151 80.820 4.271 -14.872 1.00 0.00 WT1 H ATOM 16135 OH2 TIP3 5152 39.946 71.231 -9.669 1.00 0.00 WT1 O ATOM 16136 H1 TIP3 5152 40.189 71.235 -8.743 1.00 0.00 WT1 H ATOM 16137 H2 TIP3 5152 40.346 72.024 -10.026 1.00 0.00 WT1 H ATOM 16138 OH2 TIP3 5154 89.775 28.584 7.637 1.00 0.00 WT1 O ATOM 16139 H1 TIP3 5154 90.508 28.871 8.182 1.00 0.00 WT1 H ATOM 16140 H2 TIP3 5154 89.002 28.964 8.055 1.00 0.00 WT1 H ATOM 16141 OH2 TIP3 5156 28.207 88.500 -3.767 1.00 0.00 WT1 O ATOM 16142 H1 TIP3 5156 28.050 87.581 -3.550 1.00 0.00 WT1 H ATOM 16143 H2 TIP3 5156 28.937 88.759 -3.204 1.00 0.00 WT1 H ATOM 16144 OH2 TIP3 5162 77.413 22.023 63.356 1.00 0.00 WT1 O ATOM 16145 H1 TIP3 5162 78.109 22.646 63.147 1.00 0.00 WT1 H ATOM 16146 H2 TIP3 5162 77.869 21.271 63.733 1.00 0.00 WT1 H ATOM 16147 OH2 TIP3 5163 89.393 14.083 45.099 1.00 0.00 WT1 O ATOM 16148 H1 TIP3 5163 89.189 14.465 45.952 1.00 0.00 WT1 H ATOM 16149 H2 TIP3 5163 88.860 13.289 45.057 1.00 0.00 WT1 H ATOM 16150 OH2 TIP3 5164 46.615 69.362 26.676 1.00 0.00 WT1 O ATOM 16151 H1 TIP3 5164 47.368 69.163 27.233 1.00 0.00 WT1 H ATOM 16152 H2 TIP3 5164 46.833 68.976 25.828 1.00 0.00 WT1 H ATOM 16153 OH2 TIP3 5165 54.765 20.108 61.209 1.00 0.00 WT1 O ATOM 16154 H1 TIP3 5165 53.998 20.516 61.610 1.00 0.00 WT1 H ATOM 16155 H2 TIP3 5165 54.811 20.492 60.333 1.00 0.00 WT1 H ATOM 16156 OH2 TIP3 5166 83.357 87.419 -7.622 1.00 0.00 WT1 O ATOM 16157 H1 TIP3 5166 83.672 88.295 -7.844 1.00 0.00 WT1 H ATOM 16158 H2 TIP3 5166 84.066 87.033 -7.107 1.00 0.00 WT1 H ATOM 16159 OH2 TIP3 5167 65.352 20.782 -13.921 1.00 0.00 WT1 O ATOM 16160 H1 TIP3 5167 64.411 20.955 -13.960 1.00 0.00 WT1 H ATOM 16161 H2 TIP3 5167 65.539 20.291 -14.721 1.00 0.00 WT1 H ATOM 16162 OH2 TIP3 5168 77.681 12.931 39.515 1.00 0.00 WT1 O ATOM 16163 H1 TIP3 5168 77.337 12.044 39.618 1.00 0.00 WT1 H ATOM 16164 H2 TIP3 5168 78.382 12.843 38.869 1.00 0.00 WT1 H ATOM 16165 OH2 TIP3 5169 58.717 24.981 61.221 1.00 0.00 WT1 O ATOM 16166 H1 TIP3 5169 59.030 24.691 62.078 1.00 0.00 WT1 H ATOM 16167 H2 TIP3 5169 58.295 25.823 61.392 1.00 0.00 WT1 H ATOM 16168 OH2 TIP3 5170 20.852 38.934 51.132 1.00 0.00 WT1 O ATOM 16169 H1 TIP3 5170 21.655 39.010 50.616 1.00 0.00 WT1 H ATOM 16170 H2 TIP3 5170 20.904 39.651 51.764 1.00 0.00 WT1 H ATOM 16171 OH2 TIP3 5171 27.895 17.433 8.769 1.00 0.00 WT1 O ATOM 16172 H1 TIP3 5171 28.586 16.876 9.129 1.00 0.00 WT1 H ATOM 16173 H2 TIP3 5171 27.704 17.054 7.911 1.00 0.00 WT1 H ATOM 16174 OH2 TIP3 5172 27.002 47.607 22.176 1.00 0.00 WT1 O ATOM 16175 H1 TIP3 5172 27.183 48.044 21.344 1.00 0.00 WT1 H ATOM 16176 H2 TIP3 5172 27.857 47.300 22.476 1.00 0.00 WT1 H ATOM 16177 OH2 TIP3 5173 31.395 53.241 9.155 1.00 0.00 WT1 O ATOM 16178 H1 TIP3 5173 31.898 53.463 9.939 1.00 0.00 WT1 H ATOM 16179 H2 TIP3 5173 31.680 52.355 8.931 1.00 0.00 WT1 H ATOM 16180 OH2 TIP3 5174 87.170 95.065 -15.820 1.00 0.00 WT1 O ATOM 16181 H1 TIP3 5174 87.971 94.570 -15.647 1.00 0.00 WT1 H ATOM 16182 H2 TIP3 5174 87.173 95.762 -15.164 1.00 0.00 WT1 H ATOM 16183 OH2 TIP3 5175 67.654 46.689 27.756 1.00 0.00 WT1 O ATOM 16184 H1 TIP3 5175 66.875 47.191 27.994 1.00 0.00 WT1 H ATOM 16185 H2 TIP3 5175 68.322 47.352 27.579 1.00 0.00 WT1 H ATOM 16186 OH2 TIP3 5176 31.973 52.030 27.044 1.00 0.00 WT1 O ATOM 16187 H1 TIP3 5176 32.270 51.125 27.146 1.00 0.00 WT1 H ATOM 16188 H2 TIP3 5176 32.746 52.559 27.240 1.00 0.00 WT1 H ATOM 16189 OH2 TIP3 5180 54.887 51.082 22.679 1.00 0.00 WT1 O ATOM 16190 H1 TIP3 5180 54.882 50.168 22.396 1.00 0.00 WT1 H ATOM 16191 H2 TIP3 5180 54.120 51.469 22.255 1.00 0.00 WT1 H ATOM 16192 OH2 TIP3 5185 28.300 50.188 40.143 1.00 0.00 WT1 O ATOM 16193 H1 TIP3 5185 28.344 51.144 40.119 1.00 0.00 WT1 H ATOM 16194 H2 TIP3 5185 29.214 49.905 40.104 1.00 0.00 WT1 H ATOM 16195 OH2 TIP3 5186 50.757 52.800 -13.829 1.00 0.00 WT1 O ATOM 16196 H1 TIP3 5186 50.656 53.729 -14.034 1.00 0.00 WT1 H ATOM 16197 H2 TIP3 5186 51.501 52.766 -13.228 1.00 0.00 WT1 H ATOM 16198 OH2 TIP3 5187 77.814 29.036 45.288 1.00 0.00 WT1 O ATOM 16199 H1 TIP3 5187 78.632 29.411 44.960 1.00 0.00 WT1 H ATOM 16200 H2 TIP3 5187 78.002 28.103 45.388 1.00 0.00 WT1 H ATOM 16201 OH2 TIP3 5188 26.000 7.549 -2.404 1.00 0.00 WT1 O ATOM 16202 H1 TIP3 5188 26.697 7.934 -2.935 1.00 0.00 WT1 H ATOM 16203 H2 TIP3 5188 26.415 6.807 -1.965 1.00 0.00 WT1 H ATOM 16204 OH2 TIP3 5189 55.201 68.450 -11.932 1.00 0.00 WT1 O ATOM 16205 H1 TIP3 5189 54.392 67.999 -12.176 1.00 0.00 WT1 H ATOM 16206 H2 TIP3 5189 55.001 68.861 -11.091 1.00 0.00 WT1 H ATOM 16207 OH2 TIP3 5190 47.039 39.947 -10.461 1.00 0.00 WT1 O ATOM 16208 H1 TIP3 5190 47.992 39.883 -10.398 1.00 0.00 WT1 H ATOM 16209 H2 TIP3 5190 46.714 39.236 -9.908 1.00 0.00 WT1 H ATOM 16210 OH2 TIP3 5191 22.507 80.516 23.481 1.00 0.00 WT1 O ATOM 16211 H1 TIP3 5191 21.952 79.889 23.016 1.00 0.00 WT1 H ATOM 16212 H2 TIP3 5191 22.128 80.568 24.358 1.00 0.00 WT1 H ATOM 16213 OH2 TIP3 5192 88.275 63.984 39.569 1.00 0.00 WT1 O ATOM 16214 H1 TIP3 5192 87.914 63.675 38.738 1.00 0.00 WT1 H ATOM 16215 H2 TIP3 5192 88.883 64.681 39.322 1.00 0.00 WT1 H ATOM 16216 OH2 TIP3 5193 55.716 22.260 1.794 1.00 0.00 WT1 O ATOM 16217 H1 TIP3 5193 56.357 22.801 2.256 1.00 0.00 WT1 H ATOM 16218 H2 TIP3 5193 54.872 22.522 2.160 1.00 0.00 WT1 H ATOM 16219 OH2 TIP3 5194 83.922 80.581 2.475 1.00 0.00 WT1 O ATOM 16220 H1 TIP3 5194 84.842 80.666 2.224 1.00 0.00 WT1 H ATOM 16221 H2 TIP3 5194 83.555 79.967 1.839 1.00 0.00 WT1 H ATOM 16222 OH2 TIP3 5196 32.801 27.802 19.488 1.00 0.00 WT1 O ATOM 16223 H1 TIP3 5196 33.607 28.279 19.292 1.00 0.00 WT1 H ATOM 16224 H2 TIP3 5196 32.704 27.185 18.762 1.00 0.00 WT1 H ATOM 16225 OH2 TIP3 5199 46.350 58.396 17.475 1.00 0.00 WT1 O ATOM 16226 H1 TIP3 5199 47.276 58.638 17.478 1.00 0.00 WT1 H ATOM 16227 H2 TIP3 5199 45.956 58.949 18.150 1.00 0.00 WT1 H ATOM 16228 OH2 TIP3 5202 61.136 62.433 23.832 1.00 0.00 WT1 O ATOM 16229 H1 TIP3 5202 60.457 61.759 23.803 1.00 0.00 WT1 H ATOM 16230 H2 TIP3 5202 60.837 63.102 23.215 1.00 0.00 WT1 H ATOM 16231 OH2 TIP3 5205 28.007 24.383 11.144 1.00 0.00 WT1 O ATOM 16232 H1 TIP3 5205 28.240 23.456 11.088 1.00 0.00 WT1 H ATOM 16233 H2 TIP3 5205 28.789 24.845 10.844 1.00 0.00 WT1 H ATOM 16234 OH2 TIP3 5206 26.374 61.072 60.978 1.00 0.00 WT1 O ATOM 16235 H1 TIP3 5206 26.370 61.385 61.883 1.00 0.00 WT1 H ATOM 16236 H2 TIP3 5206 26.888 60.266 61.005 1.00 0.00 WT1 H ATOM 16237 OH2 TIP3 5207 52.913 25.140 -1.929 1.00 0.00 WT1 O ATOM 16238 H1 TIP3 5207 53.363 25.971 -1.773 1.00 0.00 WT1 H ATOM 16239 H2 TIP3 5207 52.567 24.891 -1.073 1.00 0.00 WT1 H ATOM 16240 OH2 TIP3 5209 82.396 77.041 27.760 1.00 0.00 WT1 O ATOM 16241 H1 TIP3 5209 81.463 77.102 27.964 1.00 0.00 WT1 H ATOM 16242 H2 TIP3 5209 82.626 76.133 27.956 1.00 0.00 WT1 H ATOM 16243 OH2 TIP3 5211 70.772 87.854 -7.414 1.00 0.00 WT1 O ATOM 16244 H1 TIP3 5211 70.813 87.903 -8.369 1.00 0.00 WT1 H ATOM 16245 H2 TIP3 5211 71.535 87.331 -7.167 1.00 0.00 WT1 H ATOM 16246 OH2 TIP3 5212 61.752 58.017 60.725 1.00 0.00 WT1 O ATOM 16247 H1 TIP3 5212 61.535 57.990 61.657 1.00 0.00 WT1 H ATOM 16248 H2 TIP3 5212 60.927 57.824 60.280 1.00 0.00 WT1 H ATOM 16249 OH2 TIP3 5213 55.254 90.626 60.736 1.00 0.00 WT1 O ATOM 16250 H1 TIP3 5213 56.101 90.548 61.175 1.00 0.00 WT1 H ATOM 16251 H2 TIP3 5213 54.952 89.723 60.636 1.00 0.00 WT1 H ATOM 16252 OH2 TIP3 5214 79.338 89.712 57.039 1.00 0.00 WT1 O ATOM 16253 H1 TIP3 5214 79.013 90.077 56.216 1.00 0.00 WT1 H ATOM 16254 H2 TIP3 5214 78.699 89.037 57.271 1.00 0.00 WT1 H ATOM 16255 OH2 TIP3 5216 48.091 73.664 -13.555 1.00 0.00 WT1 O ATOM 16256 H1 TIP3 5216 48.117 72.748 -13.279 1.00 0.00 WT1 H ATOM 16257 H2 TIP3 5216 48.780 73.735 -14.215 1.00 0.00 WT1 H ATOM 16258 OH2 TIP3 5219 83.286 92.041 6.473 1.00 0.00 WT1 O ATOM 16259 H1 TIP3 5219 82.686 91.368 6.151 1.00 0.00 WT1 H ATOM 16260 H2 TIP3 5219 84.137 91.606 6.510 1.00 0.00 WT1 H ATOM 16261 OH2 TIP3 5226 28.069 71.469 19.106 1.00 0.00 WT1 O ATOM 16262 H1 TIP3 5226 28.818 71.402 19.698 1.00 0.00 WT1 H ATOM 16263 H2 TIP3 5226 27.547 70.688 19.291 1.00 0.00 WT1 H ATOM 16264 OH2 TIP3 5230 43.534 49.675 65.976 1.00 0.00 WT1 O ATOM 16265 H1 TIP3 5230 43.091 48.828 66.021 1.00 0.00 WT1 H ATOM 16266 H2 TIP3 5230 44.045 49.636 65.168 1.00 0.00 WT1 H ATOM 16267 OH2 TIP3 5231 87.091 64.500 4.933 1.00 0.00 WT1 O ATOM 16268 H1 TIP3 5231 87.109 64.089 4.068 1.00 0.00 WT1 H ATOM 16269 H2 TIP3 5231 88.012 64.569 5.184 1.00 0.00 WT1 H ATOM 16270 OH2 TIP3 5233 73.258 44.064 0.772 1.00 0.00 WT1 O ATOM 16271 H1 TIP3 5233 72.943 44.726 0.156 1.00 0.00 WT1 H ATOM 16272 H2 TIP3 5233 73.072 44.433 1.636 1.00 0.00 WT1 H ATOM 16273 OH2 TIP3 5236 46.338 53.634 21.691 1.00 0.00 WT1 O ATOM 16274 H1 TIP3 5236 47.093 53.138 22.006 1.00 0.00 WT1 H ATOM 16275 H2 TIP3 5236 46.709 54.448 21.352 1.00 0.00 WT1 H ATOM 16276 OH2 TIP3 5239 32.756 16.203 45.262 1.00 0.00 WT1 O ATOM 16277 H1 TIP3 5239 33.480 15.653 44.964 1.00 0.00 WT1 H ATOM 16278 H2 TIP3 5239 32.038 15.590 45.422 1.00 0.00 WT1 H ATOM 16279 OH2 TIP3 5241 24.261 11.546 7.693 1.00 0.00 WT1 O ATOM 16280 H1 TIP3 5241 25.000 11.958 8.140 1.00 0.00 WT1 H ATOM 16281 H2 TIP3 5241 24.592 11.345 6.817 1.00 0.00 WT1 H ATOM 16282 OH2 TIP3 5243 77.381 89.094 5.686 1.00 0.00 WT1 O ATOM 16283 H1 TIP3 5243 77.649 89.877 5.206 1.00 0.00 WT1 H ATOM 16284 H2 TIP3 5243 77.813 88.372 5.230 1.00 0.00 WT1 H ATOM 16285 OH2 TIP3 5246 61.592 49.755 25.610 1.00 0.00 WT1 O ATOM 16286 H1 TIP3 5246 60.742 49.339 25.749 1.00 0.00 WT1 H ATOM 16287 H2 TIP3 5246 61.380 50.624 25.269 1.00 0.00 WT1 H ATOM 16288 OH2 TIP3 5247 57.740 42.479 33.310 1.00 0.00 WT1 O ATOM 16289 H1 TIP3 5247 56.955 42.677 32.799 1.00 0.00 WT1 H ATOM 16290 H2 TIP3 5247 58.273 43.272 33.248 1.00 0.00 WT1 H ATOM 16291 OH2 TIP3 5251 56.714 32.594 0.981 1.00 0.00 WT1 O ATOM 16292 H1 TIP3 5251 57.001 33.505 0.921 1.00 0.00 WT1 H ATOM 16293 H2 TIP3 5251 55.758 32.641 0.958 1.00 0.00 WT1 H ATOM 16294 OH2 TIP3 5252 53.044 69.395 28.519 1.00 0.00 WT1 O ATOM 16295 H1 TIP3 5252 52.247 68.884 28.382 1.00 0.00 WT1 H ATOM 16296 H2 TIP3 5252 53.755 68.759 28.433 1.00 0.00 WT1 H ATOM 16297 OH2 TIP3 5253 85.882 72.203 39.509 1.00 0.00 WT1 O ATOM 16298 H1 TIP3 5253 86.507 71.809 38.901 1.00 0.00 WT1 H ATOM 16299 H2 TIP3 5253 86.426 72.672 40.142 1.00 0.00 WT1 H ATOM 16300 OH2 TIP3 5254 57.910 67.304 42.563 1.00 0.00 WT1 O ATOM 16301 H1 TIP3 5254 57.569 67.693 41.758 1.00 0.00 WT1 H ATOM 16302 H2 TIP3 5254 57.552 66.416 42.571 1.00 0.00 WT1 H ATOM 16303 OH2 TIP3 5255 44.487 37.628 66.503 1.00 0.00 WT1 O ATOM 16304 H1 TIP3 5255 44.902 37.429 65.664 1.00 0.00 WT1 H ATOM 16305 H2 TIP3 5255 45.194 37.556 67.144 1.00 0.00 WT1 H ATOM 16306 OH2 TIP3 5259 61.913 24.122 -14.770 1.00 0.00 WT1 O ATOM 16307 H1 TIP3 5259 61.249 24.694 -14.385 1.00 0.00 WT1 H ATOM 16308 H2 TIP3 5259 62.146 24.546 -15.596 1.00 0.00 WT1 H ATOM 16309 OH2 TIP3 5260 44.671 73.498 16.860 1.00 0.00 WT1 O ATOM 16310 H1 TIP3 5260 44.811 73.004 17.668 1.00 0.00 WT1 H ATOM 16311 H2 TIP3 5260 45.312 73.140 16.246 1.00 0.00 WT1 H ATOM 16312 OH2 TIP3 5264 41.109 26.740 17.400 1.00 0.00 WT1 O ATOM 16313 H1 TIP3 5264 41.782 26.391 17.984 1.00 0.00 WT1 H ATOM 16314 H2 TIP3 5264 40.695 27.442 17.902 1.00 0.00 WT1 H ATOM 16315 OH2 TIP3 5266 49.778 29.658 33.094 1.00 0.00 WT1 O ATOM 16316 H1 TIP3 5266 49.941 29.983 32.208 1.00 0.00 WT1 H ATOM 16317 H2 TIP3 5266 49.153 30.280 33.466 1.00 0.00 WT1 H ATOM 16318 OH2 TIP3 5267 56.083 83.925 11.723 1.00 0.00 WT1 O ATOM 16319 H1 TIP3 5267 55.290 83.678 12.199 1.00 0.00 WT1 H ATOM 16320 H2 TIP3 5267 55.802 84.629 11.139 1.00 0.00 WT1 H ATOM 16321 OH2 TIP3 5268 40.429 32.922 42.189 1.00 0.00 WT1 O ATOM 16322 H1 TIP3 5268 40.252 33.462 41.419 1.00 0.00 WT1 H ATOM 16323 H2 TIP3 5268 39.661 33.042 42.748 1.00 0.00 WT1 H ATOM 16324 OH2 TIP3 5269 50.610 54.136 18.413 1.00 0.00 WT1 O ATOM 16325 H1 TIP3 5269 51.042 53.316 18.172 1.00 0.00 WT1 H ATOM 16326 H2 TIP3 5269 49.758 54.093 17.979 1.00 0.00 WT1 H ATOM 16327 OH2 TIP3 5270 56.649 46.932 -13.399 1.00 0.00 WT1 O ATOM 16328 H1 TIP3 5270 56.766 46.661 -12.489 1.00 0.00 WT1 H ATOM 16329 H2 TIP3 5270 55.900 46.421 -13.707 1.00 0.00 WT1 H ATOM 16330 OH2 TIP3 5271 31.054 10.884 48.154 1.00 0.00 WT1 O ATOM 16331 H1 TIP3 5271 31.208 10.282 48.883 1.00 0.00 WT1 H ATOM 16332 H2 TIP3 5271 31.915 11.002 47.754 1.00 0.00 WT1 H ATOM 16333 OH2 TIP3 5272 53.838 82.186 11.202 1.00 0.00 WT1 O ATOM 16334 H1 TIP3 5272 54.519 81.766 10.676 1.00 0.00 WT1 H ATOM 16335 H2 TIP3 5272 53.054 82.149 10.654 1.00 0.00 WT1 H ATOM 16336 OH2 TIP3 5273 60.362 5.586 44.262 1.00 0.00 WT1 O ATOM 16337 H1 TIP3 5273 61.143 5.636 43.712 1.00 0.00 WT1 H ATOM 16338 H2 TIP3 5273 60.315 4.668 44.529 1.00 0.00 WT1 H ATOM 16339 OH2 TIP3 5274 44.507 3.624 -10.824 1.00 0.00 WT1 O ATOM 16340 H1 TIP3 5274 43.706 3.956 -10.418 1.00 0.00 WT1 H ATOM 16341 H2 TIP3 5274 44.903 4.392 -11.236 1.00 0.00 WT1 H ATOM 16342 OH2 TIP3 5275 52.713 62.870 41.510 1.00 0.00 WT1 O ATOM 16343 H1 TIP3 5275 52.643 62.660 40.578 1.00 0.00 WT1 H ATOM 16344 H2 TIP3 5275 53.643 62.765 41.710 1.00 0.00 WT1 H ATOM 16345 OH2 TIP3 5276 65.822 60.783 -12.029 1.00 0.00 WT1 O ATOM 16346 H1 TIP3 5276 66.344 60.230 -11.447 1.00 0.00 WT1 H ATOM 16347 H2 TIP3 5276 65.081 61.063 -11.492 1.00 0.00 WT1 H ATOM 16348 OH2 TIP3 5277 51.725 64.084 62.377 1.00 0.00 WT1 O ATOM 16349 H1 TIP3 5277 52.007 63.466 61.702 1.00 0.00 WT1 H ATOM 16350 H2 TIP3 5277 52.016 64.938 62.058 1.00 0.00 WT1 H ATOM 16351 OH2 TIP3 5278 41.493 64.484 9.348 1.00 0.00 WT1 O ATOM 16352 H1 TIP3 5278 42.000 65.295 9.395 1.00 0.00 WT1 H ATOM 16353 H2 TIP3 5278 42.142 63.789 9.456 1.00 0.00 WT1 H ATOM 16354 OH2 TIP3 5280 27.506 62.566 22.086 1.00 0.00 WT1 O ATOM 16355 H1 TIP3 5280 28.029 62.869 21.344 1.00 0.00 WT1 H ATOM 16356 H2 TIP3 5280 27.539 63.288 22.714 1.00 0.00 WT1 H ATOM 16357 OH2 TIP3 5283 60.003 63.294 43.990 1.00 0.00 WT1 O ATOM 16358 H1 TIP3 5283 60.042 63.340 44.945 1.00 0.00 WT1 H ATOM 16359 H2 TIP3 5283 59.264 62.714 43.808 1.00 0.00 WT1 H ATOM 16360 OH2 TIP3 5284 36.836 6.438 19.527 1.00 0.00 WT1 O ATOM 16361 H1 TIP3 5284 37.446 5.704 19.599 1.00 0.00 WT1 H ATOM 16362 H2 TIP3 5284 37.197 7.108 20.108 1.00 0.00 WT1 H ATOM 16363 OH2 TIP3 5286 35.351 23.466 -5.118 1.00 0.00 WT1 O ATOM 16364 H1 TIP3 5286 35.794 22.631 -5.268 1.00 0.00 WT1 H ATOM 16365 H2 TIP3 5286 35.961 23.969 -4.579 1.00 0.00 WT1 H ATOM 16366 OH2 TIP3 5288 50.268 80.682 46.173 1.00 0.00 WT1 O ATOM 16367 H1 TIP3 5288 51.131 80.573 45.773 1.00 0.00 WT1 H ATOM 16368 H2 TIP3 5288 49.968 79.790 46.345 1.00 0.00 WT1 H ATOM 16369 OH2 TIP3 5289 53.828 84.021 -16.782 1.00 0.00 WT1 O ATOM 16370 H1 TIP3 5289 54.152 83.145 -16.572 1.00 0.00 WT1 H ATOM 16371 H2 TIP3 5289 53.416 84.325 -15.973 1.00 0.00 WT1 H ATOM 16372 OH2 TIP3 5292 33.339 10.114 64.476 1.00 0.00 WT1 O ATOM 16373 H1 TIP3 5292 32.551 10.596 64.225 1.00 0.00 WT1 H ATOM 16374 H2 TIP3 5292 33.012 9.340 64.934 1.00 0.00 WT1 H ATOM 16375 OH2 TIP3 5293 69.995 54.534 -5.309 1.00 0.00 WT1 O ATOM 16376 H1 TIP3 5293 70.745 54.942 -5.742 1.00 0.00 WT1 H ATOM 16377 H2 TIP3 5293 69.239 55.030 -5.622 1.00 0.00 WT1 H ATOM 16378 OH2 TIP3 5294 75.242 89.351 15.707 1.00 0.00 WT1 O ATOM 16379 H1 TIP3 5294 75.624 89.573 14.859 1.00 0.00 WT1 H ATOM 16380 H2 TIP3 5294 74.795 88.518 15.559 1.00 0.00 WT1 H ATOM 16381 OH2 TIP3 5295 57.918 31.704 66.803 1.00 0.00 WT1 O ATOM 16382 H1 TIP3 5295 58.262 32.261 67.502 1.00 0.00 WT1 H ATOM 16383 H2 TIP3 5295 58.119 32.179 65.997 1.00 0.00 WT1 H ATOM 16384 OH2 TIP3 5296 58.588 18.265 47.635 1.00 0.00 WT1 O ATOM 16385 H1 TIP3 5296 59.403 18.174 47.142 1.00 0.00 WT1 H ATOM 16386 H2 TIP3 5296 58.594 17.528 48.246 1.00 0.00 WT1 H ATOM 16387 OH2 TIP3 5297 57.111 59.005 -1.563 1.00 0.00 WT1 O ATOM 16388 H1 TIP3 5297 56.518 59.067 -0.815 1.00 0.00 WT1 H ATOM 16389 H2 TIP3 5297 57.978 59.185 -1.199 1.00 0.00 WT1 H ATOM 16390 OH2 TIP3 5298 24.949 60.170 27.683 1.00 0.00 WT1 O ATOM 16391 H1 TIP3 5298 25.075 59.535 28.388 1.00 0.00 WT1 H ATOM 16392 H2 TIP3 5298 25.755 60.684 27.676 1.00 0.00 WT1 H ATOM 16393 OH2 TIP3 5300 83.659 48.023 11.737 1.00 0.00 WT1 O ATOM 16394 H1 TIP3 5300 83.178 48.182 12.549 1.00 0.00 WT1 H ATOM 16395 H2 TIP3 5300 84.180 48.816 11.608 1.00 0.00 WT1 H ATOM 16396 OH2 TIP3 5301 47.915 88.188 61.201 1.00 0.00 WT1 O ATOM 16397 H1 TIP3 5301 48.195 89.092 61.053 1.00 0.00 WT1 H ATOM 16398 H2 TIP3 5301 48.277 87.962 62.057 1.00 0.00 WT1 H ATOM 16399 OH2 TIP3 5302 62.147 83.533 21.457 1.00 0.00 WT1 O ATOM 16400 H1 TIP3 5302 61.540 84.244 21.249 1.00 0.00 WT1 H ATOM 16401 H2 TIP3 5302 61.822 83.173 22.282 1.00 0.00 WT1 H ATOM 16402 OH2 TIP3 5304 62.919 83.099 29.210 1.00 0.00 WT1 O ATOM 16403 H1 TIP3 5304 62.452 82.286 29.400 1.00 0.00 WT1 H ATOM 16404 H2 TIP3 5304 62.227 83.743 29.055 1.00 0.00 WT1 H ATOM 16405 OH2 TIP3 5305 70.662 29.296 -11.998 1.00 0.00 WT1 O ATOM 16406 H1 TIP3 5305 70.474 28.603 -11.366 1.00 0.00 WT1 H ATOM 16407 H2 TIP3 5305 70.865 30.062 -11.462 1.00 0.00 WT1 H ATOM 16408 OH2 TIP3 5306 41.669 6.033 23.264 1.00 0.00 WT1 O ATOM 16409 H1 TIP3 5306 41.780 6.697 23.944 1.00 0.00 WT1 H ATOM 16410 H2 TIP3 5306 42.490 6.055 22.771 1.00 0.00 WT1 H ATOM 16411 OH2 TIP3 5309 74.814 11.042 6.244 1.00 0.00 WT1 O ATOM 16412 H1 TIP3 5309 74.055 10.476 6.103 1.00 0.00 WT1 H ATOM 16413 H2 TIP3 5309 74.680 11.776 5.643 1.00 0.00 WT1 H ATOM 16414 OH2 TIP3 5311 45.873 8.314 -1.322 1.00 0.00 WT1 O ATOM 16415 H1 TIP3 5311 45.682 8.955 -0.637 1.00 0.00 WT1 H ATOM 16416 H2 TIP3 5311 45.867 7.471 -0.869 1.00 0.00 WT1 H ATOM 16417 OH2 TIP3 5313 68.587 4.015 9.704 1.00 0.00 WT1 O ATOM 16418 H1 TIP3 5313 68.638 4.852 9.241 1.00 0.00 WT1 H ATOM 16419 H2 TIP3 5313 69.157 3.430 9.205 1.00 0.00 WT1 H ATOM 16420 OH2 TIP3 5314 39.511 87.514 -17.043 1.00 0.00 WT1 O ATOM 16421 H1 TIP3 5314 39.458 87.800 -17.955 1.00 0.00 WT1 H ATOM 16422 H2 TIP3 5314 39.762 86.592 -17.095 1.00 0.00 WT1 H ATOM 16423 OH2 TIP3 5315 64.145 68.363 55.652 1.00 0.00 WT1 O ATOM 16424 H1 TIP3 5315 64.409 67.767 56.353 1.00 0.00 WT1 H ATOM 16425 H2 TIP3 5315 64.323 67.880 54.846 1.00 0.00 WT1 H ATOM 16426 OH2 TIP3 5316 70.114 62.470 9.878 1.00 0.00 WT1 O ATOM 16427 H1 TIP3 5316 69.589 62.098 10.586 1.00 0.00 WT1 H ATOM 16428 H2 TIP3 5316 69.840 61.987 9.098 1.00 0.00 WT1 H ATOM 16429 OH2 TIP3 5317 67.873 19.122 57.564 1.00 0.00 WT1 O ATOM 16430 H1 TIP3 5317 67.527 18.571 56.863 1.00 0.00 WT1 H ATOM 16431 H2 TIP3 5317 67.164 19.167 58.206 1.00 0.00 WT1 H ATOM 16432 OH2 TIP3 5318 80.103 10.549 -9.705 1.00 0.00 WT1 O ATOM 16433 H1 TIP3 5318 80.296 9.899 -9.029 1.00 0.00 WT1 H ATOM 16434 H2 TIP3 5318 80.928 10.654 -10.179 1.00 0.00 WT1 H ATOM 16435 OH2 TIP3 5319 43.628 89.034 54.290 1.00 0.00 WT1 O ATOM 16436 H1 TIP3 5319 43.601 88.081 54.209 1.00 0.00 WT1 H ATOM 16437 H2 TIP3 5319 44.124 89.326 53.525 1.00 0.00 WT1 H ATOM 16438 OH2 TIP3 5320 66.479 76.956 27.346 1.00 0.00 WT1 O ATOM 16439 H1 TIP3 5320 66.637 76.017 27.450 1.00 0.00 WT1 H ATOM 16440 H2 TIP3 5320 65.543 77.061 27.515 1.00 0.00 WT1 H ATOM 16441 OH2 TIP3 5322 45.562 96.664 2.198 1.00 0.00 WT1 O ATOM 16442 H1 TIP3 5322 45.022 97.118 2.845 1.00 0.00 WT1 H ATOM 16443 H2 TIP3 5322 44.973 96.018 1.806 1.00 0.00 WT1 H ATOM 16444 OH2 TIP3 5323 30.913 5.998 39.256 1.00 0.00 WT1 O ATOM 16445 H1 TIP3 5323 31.639 6.338 39.780 1.00 0.00 WT1 H ATOM 16446 H2 TIP3 5323 30.724 5.140 39.635 1.00 0.00 WT1 H ATOM 16447 OH2 TIP3 5325 36.465 26.328 30.146 1.00 0.00 WT1 O ATOM 16448 H1 TIP3 5325 37.216 26.715 30.595 1.00 0.00 WT1 H ATOM 16449 H2 TIP3 5325 36.690 26.375 29.217 1.00 0.00 WT1 H ATOM 16450 OH2 TIP3 5326 44.608 74.553 6.925 1.00 0.00 WT1 O ATOM 16451 H1 TIP3 5326 44.943 73.728 6.574 1.00 0.00 WT1 H ATOM 16452 H2 TIP3 5326 44.220 74.317 7.767 1.00 0.00 WT1 H ATOM 16453 OH2 TIP3 5327 81.198 23.090 1.659 1.00 0.00 WT1 O ATOM 16454 H1 TIP3 5327 81.224 23.035 2.614 1.00 0.00 WT1 H ATOM 16455 H2 TIP3 5327 80.560 23.780 1.476 1.00 0.00 WT1 H ATOM 16456 OH2 TIP3 5328 62.471 53.766 -11.003 1.00 0.00 WT1 O ATOM 16457 H1 TIP3 5328 62.453 54.213 -10.157 1.00 0.00 WT1 H ATOM 16458 H2 TIP3 5328 61.673 54.058 -11.445 1.00 0.00 WT1 H ATOM 16459 OH2 TIP3 5330 50.996 92.931 52.353 1.00 0.00 WT1 O ATOM 16460 H1 TIP3 5330 50.306 92.462 52.823 1.00 0.00 WT1 H ATOM 16461 H2 TIP3 5330 50.607 93.143 51.505 1.00 0.00 WT1 H ATOM 16462 OH2 TIP3 5331 40.561 81.957 -8.586 1.00 0.00 WT1 O ATOM 16463 H1 TIP3 5331 40.278 81.973 -7.672 1.00 0.00 WT1 H ATOM 16464 H2 TIP3 5331 41.507 81.818 -8.543 1.00 0.00 WT1 H ATOM 16465 OH2 TIP3 5333 46.200 27.168 59.920 1.00 0.00 WT1 O ATOM 16466 H1 TIP3 5333 45.567 27.880 59.837 1.00 0.00 WT1 H ATOM 16467 H2 TIP3 5333 46.538 27.042 59.033 1.00 0.00 WT1 H ATOM 16468 OH2 TIP3 5334 59.347 91.836 19.089 1.00 0.00 WT1 O ATOM 16469 H1 TIP3 5334 60.245 92.078 18.863 1.00 0.00 WT1 H ATOM 16470 H2 TIP3 5334 59.410 90.926 19.381 1.00 0.00 WT1 H ATOM 16471 OH2 TIP3 5335 47.771 71.244 60.244 1.00 0.00 WT1 O ATOM 16472 H1 TIP3 5335 47.151 71.571 59.593 1.00 0.00 WT1 H ATOM 16473 H2 TIP3 5335 47.501 70.339 60.400 1.00 0.00 WT1 H ATOM 16474 OH2 TIP3 5336 63.715 45.543 6.721 1.00 0.00 WT1 O ATOM 16475 H1 TIP3 5336 64.325 45.149 7.344 1.00 0.00 WT1 H ATOM 16476 H2 TIP3 5336 62.861 45.184 6.962 1.00 0.00 WT1 H ATOM 16477 OH2 TIP3 5338 52.025 7.266 50.634 1.00 0.00 WT1 O ATOM 16478 H1 TIP3 5338 51.410 6.553 50.463 1.00 0.00 WT1 H ATOM 16479 H2 TIP3 5338 52.104 7.293 51.587 1.00 0.00 WT1 H ATOM 16480 OH2 TIP3 5339 52.812 21.030 46.504 1.00 0.00 WT1 O ATOM 16481 H1 TIP3 5339 51.857 21.038 46.436 1.00 0.00 WT1 H ATOM 16482 H2 TIP3 5339 53.028 20.127 46.737 1.00 0.00 WT1 H ATOM 16483 OH2 TIP3 5340 84.087 36.387 63.320 1.00 0.00 WT1 O ATOM 16484 H1 TIP3 5340 84.979 36.119 63.100 1.00 0.00 WT1 H ATOM 16485 H2 TIP3 5340 83.769 36.830 62.534 1.00 0.00 WT1 H ATOM 16486 OH2 TIP3 5341 58.180 30.983 54.233 1.00 0.00 WT1 O ATOM 16487 H1 TIP3 5341 57.367 31.474 54.116 1.00 0.00 WT1 H ATOM 16488 H2 TIP3 5341 58.677 31.147 53.432 1.00 0.00 WT1 H ATOM 16489 OH2 TIP3 5342 36.252 19.421 60.013 1.00 0.00 WT1 O ATOM 16490 H1 TIP3 5342 35.401 19.859 60.013 1.00 0.00 WT1 H ATOM 16491 H2 TIP3 5342 36.870 20.096 60.292 1.00 0.00 WT1 H ATOM 16492 OH2 TIP3 5343 62.549 22.166 20.201 1.00 0.00 WT1 O ATOM 16493 H1 TIP3 5343 62.915 22.711 19.504 1.00 0.00 WT1 H ATOM 16494 H2 TIP3 5343 61.625 22.414 20.239 1.00 0.00 WT1 H ATOM 16495 OH2 TIP3 5344 48.704 85.064 12.722 1.00 0.00 WT1 O ATOM 16496 H1 TIP3 5344 49.208 85.865 12.869 1.00 0.00 WT1 H ATOM 16497 H2 TIP3 5344 48.828 84.552 13.521 1.00 0.00 WT1 H ATOM 16498 OH2 TIP3 5346 45.716 55.866 -15.461 1.00 0.00 WT1 O ATOM 16499 H1 TIP3 5346 46.463 56.043 -14.888 1.00 0.00 WT1 H ATOM 16500 H2 TIP3 5346 45.089 56.561 -15.259 1.00 0.00 WT1 H ATOM 16501 OH2 TIP3 5348 26.310 21.577 52.801 1.00 0.00 WT1 O ATOM 16502 H1 TIP3 5348 27.099 21.396 53.312 1.00 0.00 WT1 H ATOM 16503 H2 TIP3 5348 26.493 21.206 51.937 1.00 0.00 WT1 H ATOM 16504 OH2 TIP3 5349 75.866 36.689 29.834 1.00 0.00 WT1 O ATOM 16505 H1 TIP3 5349 76.497 35.977 29.725 1.00 0.00 WT1 H ATOM 16506 H2 TIP3 5349 76.293 37.450 29.441 1.00 0.00 WT1 H ATOM 16507 OH2 TIP3 5350 26.229 14.433 -5.659 1.00 0.00 WT1 O ATOM 16508 H1 TIP3 5350 27.020 14.921 -5.428 1.00 0.00 WT1 H ATOM 16509 H2 TIP3 5350 25.626 15.098 -5.993 1.00 0.00 WT1 H ATOM 16510 OH2 TIP3 5351 46.149 75.639 49.490 1.00 0.00 WT1 O ATOM 16511 H1 TIP3 5351 46.711 76.395 49.662 1.00 0.00 WT1 H ATOM 16512 H2 TIP3 5351 46.468 75.287 48.659 1.00 0.00 WT1 H ATOM 16513 OH2 TIP3 5352 80.632 66.025 37.960 1.00 0.00 WT1 O ATOM 16514 H1 TIP3 5352 80.036 66.299 37.262 1.00 0.00 WT1 H ATOM 16515 H2 TIP3 5352 80.200 66.304 38.767 1.00 0.00 WT1 H ATOM 16516 OH2 TIP3 5353 86.127 42.475 47.853 1.00 0.00 WT1 O ATOM 16517 H1 TIP3 5353 85.913 43.407 47.897 1.00 0.00 WT1 H ATOM 16518 H2 TIP3 5353 86.371 42.243 48.749 1.00 0.00 WT1 H ATOM 16519 OH2 TIP3 5354 61.175 2.510 15.602 1.00 0.00 WT1 O ATOM 16520 H1 TIP3 5354 61.687 1.979 16.211 1.00 0.00 WT1 H ATOM 16521 H2 TIP3 5354 61.701 2.533 14.802 1.00 0.00 WT1 H ATOM 16522 OH2 TIP3 5355 89.955 65.746 -6.758 1.00 0.00 WT1 O ATOM 16523 H1 TIP3 5355 89.827 66.443 -7.403 1.00 0.00 WT1 H ATOM 16524 H2 TIP3 5355 89.783 66.166 -5.915 1.00 0.00 WT1 H ATOM 16525 OH2 TIP3 5356 46.143 83.409 4.958 1.00 0.00 WT1 O ATOM 16526 H1 TIP3 5356 45.614 83.878 4.312 1.00 0.00 WT1 H ATOM 16527 H2 TIP3 5356 46.552 82.699 4.462 1.00 0.00 WT1 H ATOM 16528 OH2 TIP3 5357 65.469 27.847 -3.402 1.00 0.00 WT1 O ATOM 16529 H1 TIP3 5357 66.010 28.496 -3.852 1.00 0.00 WT1 H ATOM 16530 H2 TIP3 5357 64.648 28.305 -3.220 1.00 0.00 WT1 H ATOM 16531 OH2 TIP3 5358 32.248 88.360 -18.652 1.00 0.00 WT1 O ATOM 16532 H1 TIP3 5358 31.474 88.905 -18.793 1.00 0.00 WT1 H ATOM 16533 H2 TIP3 5358 32.920 88.747 -19.213 1.00 0.00 WT1 H ATOM 16534 OH2 TIP3 5359 54.438 25.167 8.675 1.00 0.00 WT1 O ATOM 16535 H1 TIP3 5359 54.996 24.858 9.389 1.00 0.00 WT1 H ATOM 16536 H2 TIP3 5359 53.777 25.710 9.106 1.00 0.00 WT1 H ATOM 16537 OH2 TIP3 5360 63.295 19.393 30.795 1.00 0.00 WT1 O ATOM 16538 H1 TIP3 5360 64.093 19.540 30.287 1.00 0.00 WT1 H ATOM 16539 H2 TIP3 5360 62.721 20.120 30.555 1.00 0.00 WT1 H ATOM 16540 OH2 TIP3 5361 56.551 57.981 11.691 1.00 0.00 WT1 O ATOM 16541 H1 TIP3 5361 56.714 57.319 12.362 1.00 0.00 WT1 H ATOM 16542 H2 TIP3 5361 55.849 58.522 12.053 1.00 0.00 WT1 H ATOM 16543 OH2 TIP3 5364 26.918 73.683 25.182 1.00 0.00 WT1 O ATOM 16544 H1 TIP3 5364 27.408 73.331 24.439 1.00 0.00 WT1 H ATOM 16545 H2 TIP3 5364 26.552 72.911 25.614 1.00 0.00 WT1 H ATOM 16546 OH2 TIP3 5365 80.926 18.547 -16.557 1.00 0.00 WT1 O ATOM 16547 H1 TIP3 5365 81.205 18.455 -15.645 1.00 0.00 WT1 H ATOM 16548 H2 TIP3 5365 79.993 18.334 -16.545 1.00 0.00 WT1 H ATOM 16549 OH2 TIP3 5366 27.224 88.500 -7.551 1.00 0.00 WT1 O ATOM 16550 H1 TIP3 5366 28.040 88.876 -7.219 1.00 0.00 WT1 H ATOM 16551 H2 TIP3 5366 27.472 88.076 -8.373 1.00 0.00 WT1 H ATOM 16552 OH2 TIP3 5368 62.190 14.231 29.624 1.00 0.00 WT1 O ATOM 16553 H1 TIP3 5368 63.008 14.713 29.749 1.00 0.00 WT1 H ATOM 16554 H2 TIP3 5368 61.530 14.909 29.485 1.00 0.00 WT1 H ATOM 16555 OH2 TIP3 5369 56.180 74.760 0.649 1.00 0.00 WT1 O ATOM 16556 H1 TIP3 5369 56.110 75.117 1.535 1.00 0.00 WT1 H ATOM 16557 H2 TIP3 5369 56.102 73.813 0.764 1.00 0.00 WT1 H ATOM 16558 OH2 TIP3 5370 37.016 23.773 23.330 1.00 0.00 WT1 O ATOM 16559 H1 TIP3 5370 36.699 23.130 22.696 1.00 0.00 WT1 H ATOM 16560 H2 TIP3 5370 36.280 23.904 23.928 1.00 0.00 WT1 H ATOM 16561 OH2 TIP3 5371 73.144 3.359 37.894 1.00 0.00 WT1 O ATOM 16562 H1 TIP3 5371 72.227 3.209 37.667 1.00 0.00 WT1 H ATOM 16563 H2 TIP3 5371 73.117 4.041 38.566 1.00 0.00 WT1 H ATOM 16564 OH2 TIP3 5372 75.706 93.827 44.413 1.00 0.00 WT1 O ATOM 16565 H1 TIP3 5372 75.256 94.450 43.842 1.00 0.00 WT1 H ATOM 16566 H2 TIP3 5372 75.124 93.732 45.168 1.00 0.00 WT1 H ATOM 16567 OH2 TIP3 5374 34.079 24.681 64.856 1.00 0.00 WT1 O ATOM 16568 H1 TIP3 5374 33.953 23.996 65.512 1.00 0.00 WT1 H ATOM 16569 H2 TIP3 5374 34.103 24.212 64.021 1.00 0.00 WT1 H ATOM 16570 OH2 TIP3 5375 40.992 12.423 -6.565 1.00 0.00 WT1 O ATOM 16571 H1 TIP3 5375 41.680 12.898 -7.032 1.00 0.00 WT1 H ATOM 16572 H2 TIP3 5375 41.066 12.723 -5.659 1.00 0.00 WT1 H ATOM 16573 OH2 TIP3 5376 62.763 29.114 54.973 1.00 0.00 WT1 O ATOM 16574 H1 TIP3 5376 63.128 28.765 54.160 1.00 0.00 WT1 H ATOM 16575 H2 TIP3 5376 62.034 28.530 55.179 1.00 0.00 WT1 H ATOM 16576 OH2 TIP3 5377 53.121 49.637 35.963 1.00 0.00 WT1 O ATOM 16577 H1 TIP3 5377 53.290 50.036 36.817 1.00 0.00 WT1 H ATOM 16578 H2 TIP3 5377 53.946 49.732 35.486 1.00 0.00 WT1 H ATOM 16579 OH2 TIP3 5378 79.318 87.602 64.449 1.00 0.00 WT1 O ATOM 16580 H1 TIP3 5378 79.489 87.107 65.250 1.00 0.00 WT1 H ATOM 16581 H2 TIP3 5378 79.002 86.947 63.826 1.00 0.00 WT1 H ATOM 16582 OH2 TIP3 5379 81.723 79.676 -9.013 1.00 0.00 WT1 O ATOM 16583 H1 TIP3 5379 81.639 80.616 -8.853 1.00 0.00 WT1 H ATOM 16584 H2 TIP3 5379 80.857 79.321 -8.816 1.00 0.00 WT1 H ATOM 16585 OH2 TIP3 5380 49.361 21.452 18.596 1.00 0.00 WT1 O ATOM 16586 H1 TIP3 5380 48.662 21.762 18.020 1.00 0.00 WT1 H ATOM 16587 H2 TIP3 5380 49.022 21.591 19.481 1.00 0.00 WT1 H ATOM 16588 OH2 TIP3 5381 50.958 34.281 15.946 1.00 0.00 WT1 O ATOM 16589 H1 TIP3 5381 50.134 34.740 16.113 1.00 0.00 WT1 H ATOM 16590 H2 TIP3 5381 51.127 33.791 16.751 1.00 0.00 WT1 H ATOM 16591 OH2 TIP3 5382 30.014 26.164 5.198 1.00 0.00 WT1 O ATOM 16592 H1 TIP3 5382 29.973 27.043 4.821 1.00 0.00 WT1 H ATOM 16593 H2 TIP3 5382 29.474 26.215 5.986 1.00 0.00 WT1 H ATOM 16594 OH2 TIP3 5383 71.257 1.295 0.528 1.00 0.00 WT1 O ATOM 16595 H1 TIP3 5383 71.934 0.679 0.248 1.00 0.00 WT1 H ATOM 16596 H2 TIP3 5383 70.640 0.762 1.030 1.00 0.00 WT1 H ATOM 16597 OH2 TIP3 5384 88.052 41.392 -17.533 1.00 0.00 WT1 O ATOM 16598 H1 TIP3 5384 87.884 41.384 -16.591 1.00 0.00 WT1 H ATOM 16599 H2 TIP3 5384 87.220 41.132 -17.928 1.00 0.00 WT1 H ATOM 16600 OH2 TIP3 5385 34.631 83.127 22.705 1.00 0.00 WT1 O ATOM 16601 H1 TIP3 5385 34.311 83.262 21.813 1.00 0.00 WT1 H ATOM 16602 H2 TIP3 5385 35.555 82.902 22.597 1.00 0.00 WT1 H ATOM 16603 OH2 TIP3 5388 51.580 94.889 47.531 1.00 0.00 WT1 O ATOM 16604 H1 TIP3 5388 52.458 95.124 47.831 1.00 0.00 WT1 H ATOM 16605 H2 TIP3 5388 51.589 95.075 46.592 1.00 0.00 WT1 H ATOM 16606 OH2 TIP3 5389 69.402 28.459 56.119 1.00 0.00 WT1 O ATOM 16607 H1 TIP3 5389 68.549 28.133 56.405 1.00 0.00 WT1 H ATOM 16608 H2 TIP3 5389 69.894 27.672 55.885 1.00 0.00 WT1 H ATOM 16609 OH2 TIP3 5390 73.701 27.802 -1.214 1.00 0.00 WT1 O ATOM 16610 H1 TIP3 5390 73.157 28.483 -0.820 1.00 0.00 WT1 H ATOM 16611 H2 TIP3 5390 74.237 28.265 -1.858 1.00 0.00 WT1 H ATOM 16612 OH2 TIP3 5392 27.080 59.041 25.347 1.00 0.00 WT1 O ATOM 16613 H1 TIP3 5392 26.563 58.370 25.793 1.00 0.00 WT1 H ATOM 16614 H2 TIP3 5392 27.787 58.556 24.920 1.00 0.00 WT1 H ATOM 16615 OH2 TIP3 5393 20.903 37.826 61.961 1.00 0.00 WT1 O ATOM 16616 H1 TIP3 5393 21.323 38.612 61.610 1.00 0.00 WT1 H ATOM 16617 H2 TIP3 5393 21.380 37.100 61.559 1.00 0.00 WT1 H ATOM 16618 OH2 TIP3 5394 32.476 30.058 10.111 1.00 0.00 WT1 O ATOM 16619 H1 TIP3 5394 31.826 30.455 10.690 1.00 0.00 WT1 H ATOM 16620 H2 TIP3 5394 32.649 30.727 9.449 1.00 0.00 WT1 H ATOM 16621 OH2 TIP3 5395 34.946 47.333 49.193 1.00 0.00 WT1 O ATOM 16622 H1 TIP3 5395 34.595 46.488 49.473 1.00 0.00 WT1 H ATOM 16623 H2 TIP3 5395 35.220 47.761 50.004 1.00 0.00 WT1 H ATOM 16624 OH2 TIP3 5396 51.391 76.984 28.926 1.00 0.00 WT1 O ATOM 16625 H1 TIP3 5396 50.745 76.570 28.354 1.00 0.00 WT1 H ATOM 16626 H2 TIP3 5396 51.797 76.256 29.397 1.00 0.00 WT1 H ATOM 16627 OH2 TIP3 5397 28.924 77.331 37.613 1.00 0.00 WT1 O ATOM 16628 H1 TIP3 5397 29.735 77.741 37.314 1.00 0.00 WT1 H ATOM 16629 H2 TIP3 5397 29.206 76.522 38.040 1.00 0.00 WT1 H ATOM 16630 OH2 TIP3 5398 26.521 54.960 18.677 1.00 0.00 WT1 O ATOM 16631 H1 TIP3 5398 27.316 54.910 18.145 1.00 0.00 WT1 H ATOM 16632 H2 TIP3 5398 26.395 55.895 18.834 1.00 0.00 WT1 H ATOM 16633 OH2 TIP3 5399 47.691 96.901 -3.089 1.00 0.00 WT1 O ATOM 16634 H1 TIP3 5399 48.456 96.838 -2.517 1.00 0.00 WT1 H ATOM 16635 H2 TIP3 5399 47.561 96.011 -3.415 1.00 0.00 WT1 H ATOM 16636 OH2 TIP3 5400 29.265 28.855 5.793 1.00 0.00 WT1 O ATOM 16637 H1 TIP3 5400 28.596 29.350 6.266 1.00 0.00 WT1 H ATOM 16638 H2 TIP3 5400 29.796 29.523 5.360 1.00 0.00 WT1 H ATOM 16639 OH2 TIP3 5402 30.977 1.714 -7.855 1.00 0.00 WT1 O ATOM 16640 H1 TIP3 5402 30.659 1.122 -8.537 1.00 0.00 WT1 H ATOM 16641 H2 TIP3 5402 30.302 1.685 -7.177 1.00 0.00 WT1 H ATOM 16642 OH2 TIP3 5403 37.392 25.182 13.785 1.00 0.00 WT1 O ATOM 16643 H1 TIP3 5403 37.993 25.919 13.896 1.00 0.00 WT1 H ATOM 16644 H2 TIP3 5403 37.095 25.249 12.878 1.00 0.00 WT1 H ATOM 16645 OH2 TIP3 5404 88.971 25.689 -16.118 1.00 0.00 WT1 O ATOM 16646 H1 TIP3 5404 89.221 25.807 -15.201 1.00 0.00 WT1 H ATOM 16647 H2 TIP3 5404 89.375 26.427 -16.574 1.00 0.00 WT1 H ATOM 16648 OH2 TIP3 5406 71.556 31.324 39.259 1.00 0.00 WT1 O ATOM 16649 H1 TIP3 5406 70.780 30.995 39.712 1.00 0.00 WT1 H ATOM 16650 H2 TIP3 5406 71.278 32.159 38.883 1.00 0.00 WT1 H ATOM 16651 OH2 TIP3 5408 59.841 7.176 -13.150 1.00 0.00 WT1 O ATOM 16652 H1 TIP3 5408 60.540 6.525 -13.082 1.00 0.00 WT1 H ATOM 16653 H2 TIP3 5408 59.836 7.612 -12.298 1.00 0.00 WT1 H ATOM 16654 OH2 TIP3 5410 86.847 72.848 44.396 1.00 0.00 WT1 O ATOM 16655 H1 TIP3 5410 86.173 73.038 45.048 1.00 0.00 WT1 H ATOM 16656 H2 TIP3 5410 86.695 71.935 44.151 1.00 0.00 WT1 H ATOM 16657 OH2 TIP3 5411 21.988 84.609 22.610 1.00 0.00 WT1 O ATOM 16658 H1 TIP3 5411 21.137 84.208 22.790 1.00 0.00 WT1 H ATOM 16659 H2 TIP3 5411 22.474 84.520 23.429 1.00 0.00 WT1 H ATOM 16660 OH2 TIP3 5412 73.455 58.172 19.715 1.00 0.00 WT1 O ATOM 16661 H1 TIP3 5412 73.790 57.634 18.997 1.00 0.00 WT1 H ATOM 16662 H2 TIP3 5412 72.570 57.842 19.870 1.00 0.00 WT1 H ATOM 16663 OH2 TIP3 5413 89.152 2.688 36.787 1.00 0.00 WT1 O ATOM 16664 H1 TIP3 5413 88.342 2.323 36.431 1.00 0.00 WT1 H ATOM 16665 H2 TIP3 5413 89.311 3.474 36.263 1.00 0.00 WT1 H ATOM 16666 OH2 TIP3 5414 29.002 25.863 46.022 1.00 0.00 WT1 O ATOM 16667 H1 TIP3 5414 29.948 25.775 45.909 1.00 0.00 WT1 H ATOM 16668 H2 TIP3 5414 28.868 25.820 46.969 1.00 0.00 WT1 H ATOM 16669 OH2 TIP3 5415 31.238 52.208 -2.458 1.00 0.00 WT1 O ATOM 16670 H1 TIP3 5415 32.133 52.080 -2.772 1.00 0.00 WT1 H ATOM 16671 H2 TIP3 5415 30.958 51.340 -2.168 1.00 0.00 WT1 H ATOM 16672 OH2 TIP3 5416 81.027 31.905 62.025 1.00 0.00 WT1 O ATOM 16673 H1 TIP3 5416 80.155 32.217 62.266 1.00 0.00 WT1 H ATOM 16674 H2 TIP3 5416 81.394 32.608 61.490 1.00 0.00 WT1 H ATOM 16675 OH2 TIP3 5417 67.132 86.321 48.823 1.00 0.00 WT1 O ATOM 16676 H1 TIP3 5417 66.776 85.621 48.276 1.00 0.00 WT1 H ATOM 16677 H2 TIP3 5417 66.390 86.904 48.982 1.00 0.00 WT1 H ATOM 16678 OH2 TIP3 5418 57.729 43.177 -0.451 1.00 0.00 WT1 O ATOM 16679 H1 TIP3 5418 58.112 43.531 0.352 1.00 0.00 WT1 H ATOM 16680 H2 TIP3 5418 58.116 43.702 -1.153 1.00 0.00 WT1 H ATOM 16681 OH2 TIP3 5419 75.789 35.495 49.453 1.00 0.00 WT1 O ATOM 16682 H1 TIP3 5419 75.134 36.028 49.003 1.00 0.00 WT1 H ATOM 16683 H2 TIP3 5419 76.561 35.537 48.889 1.00 0.00 WT1 H ATOM 16684 OH2 TIP3 5420 70.509 38.534 13.520 1.00 0.00 WT1 O ATOM 16685 H1 TIP3 5420 70.581 39.470 13.704 1.00 0.00 WT1 H ATOM 16686 H2 TIP3 5420 69.569 38.355 13.548 1.00 0.00 WT1 H ATOM 16687 OH2 TIP3 5421 89.708 30.384 36.315 1.00 0.00 WT1 O ATOM 16688 H1 TIP3 5421 90.499 30.912 36.426 1.00 0.00 WT1 H ATOM 16689 H2 TIP3 5421 89.849 29.910 35.495 1.00 0.00 WT1 H ATOM 16690 OH2 TIP3 5422 38.026 76.203 -9.829 1.00 0.00 WT1 O ATOM 16691 H1 TIP3 5422 38.497 76.870 -9.331 1.00 0.00 WT1 H ATOM 16692 H2 TIP3 5422 37.743 76.652 -10.626 1.00 0.00 WT1 H ATOM 16693 OH2 TIP3 5424 33.631 94.899 0.276 1.00 0.00 WT1 O ATOM 16694 H1 TIP3 5424 33.620 94.165 0.890 1.00 0.00 WT1 H ATOM 16695 H2 TIP3 5424 34.477 95.322 0.423 1.00 0.00 WT1 H ATOM 16696 OH2 TIP3 5425 88.378 35.016 5.253 1.00 0.00 WT1 O ATOM 16697 H1 TIP3 5425 88.678 35.618 5.934 1.00 0.00 WT1 H ATOM 16698 H2 TIP3 5425 89.025 34.309 5.258 1.00 0.00 WT1 H ATOM 16699 OH2 TIP3 5426 65.982 71.083 -0.674 1.00 0.00 WT1 O ATOM 16700 H1 TIP3 5426 65.136 71.532 -0.694 1.00 0.00 WT1 H ATOM 16701 H2 TIP3 5426 65.803 70.218 -1.041 1.00 0.00 WT1 H ATOM 16702 OH2 TIP3 5427 26.678 41.816 -11.157 1.00 0.00 WT1 O ATOM 16703 H1 TIP3 5427 27.502 42.303 -11.163 1.00 0.00 WT1 H ATOM 16704 H2 TIP3 5427 26.002 42.491 -11.089 1.00 0.00 WT1 H ATOM 16705 OH2 TIP3 5428 74.693 11.582 -14.007 1.00 0.00 WT1 O ATOM 16706 H1 TIP3 5428 74.737 10.781 -13.486 1.00 0.00 WT1 H ATOM 16707 H2 TIP3 5428 73.949 11.447 -14.594 1.00 0.00 WT1 H ATOM 16708 OH2 TIP3 5429 56.191 46.346 34.549 1.00 0.00 WT1 O ATOM 16709 H1 TIP3 5429 55.343 46.024 34.244 1.00 0.00 WT1 H ATOM 16710 H2 TIP3 5429 56.635 46.645 33.755 1.00 0.00 WT1 H ATOM 16711 OH2 TIP3 5430 89.382 86.819 -3.738 1.00 0.00 WT1 O ATOM 16712 H1 TIP3 5430 88.902 87.457 -4.267 1.00 0.00 WT1 H ATOM 16713 H2 TIP3 5430 89.892 87.350 -3.127 1.00 0.00 WT1 H ATOM 16714 OH2 TIP3 5431 82.486 37.188 18.754 1.00 0.00 WT1 O ATOM 16715 H1 TIP3 5431 82.523 37.923 18.141 1.00 0.00 WT1 H ATOM 16716 H2 TIP3 5431 81.566 37.135 19.010 1.00 0.00 WT1 H ATOM 16717 OH2 TIP3 5432 52.453 81.389 59.926 1.00 0.00 WT1 O ATOM 16718 H1 TIP3 5432 53.129 81.599 60.571 1.00 0.00 WT1 H ATOM 16719 H2 TIP3 5432 52.670 80.505 59.630 1.00 0.00 WT1 H ATOM 16720 OH2 TIP3 5433 37.291 33.747 14.016 1.00 0.00 WT1 O ATOM 16721 H1 TIP3 5433 37.615 33.403 14.849 1.00 0.00 WT1 H ATOM 16722 H2 TIP3 5433 36.747 34.495 14.261 1.00 0.00 WT1 H ATOM 16723 OH2 TIP3 5434 56.071 6.121 36.878 1.00 0.00 WT1 O ATOM 16724 H1 TIP3 5434 55.278 6.656 36.838 1.00 0.00 WT1 H ATOM 16725 H2 TIP3 5434 56.319 5.992 35.962 1.00 0.00 WT1 H ATOM 16726 OH2 TIP3 5435 52.104 20.999 38.498 1.00 0.00 WT1 O ATOM 16727 H1 TIP3 5435 52.440 20.171 38.840 1.00 0.00 WT1 H ATOM 16728 H2 TIP3 5435 51.152 20.913 38.552 1.00 0.00 WT1 H ATOM 16729 OH2 TIP3 5436 33.073 71.897 59.556 1.00 0.00 WT1 O ATOM 16730 H1 TIP3 5436 32.786 71.681 60.443 1.00 0.00 WT1 H ATOM 16731 H2 TIP3 5436 33.474 71.092 59.230 1.00 0.00 WT1 H ATOM 16732 OH2 TIP3 5437 50.843 42.033 63.032 1.00 0.00 WT1 O ATOM 16733 H1 TIP3 5437 51.697 41.926 62.613 1.00 0.00 WT1 H ATOM 16734 H2 TIP3 5437 50.875 41.453 63.793 1.00 0.00 WT1 H ATOM 16735 OH2 TIP3 5438 33.041 30.461 62.095 1.00 0.00 WT1 O ATOM 16736 H1 TIP3 5438 32.685 30.901 62.867 1.00 0.00 WT1 H ATOM 16737 H2 TIP3 5438 33.980 30.394 62.268 1.00 0.00 WT1 H ATOM 16738 OH2 TIP3 5439 69.700 44.738 33.460 1.00 0.00 WT1 O ATOM 16739 H1 TIP3 5439 69.012 45.215 32.995 1.00 0.00 WT1 H ATOM 16740 H2 TIP3 5439 69.984 44.065 32.842 1.00 0.00 WT1 H ATOM 16741 OH2 TIP3 5440 79.312 17.991 -1.258 1.00 0.00 WT1 O ATOM 16742 H1 TIP3 5440 79.660 18.682 -1.821 1.00 0.00 WT1 H ATOM 16743 H2 TIP3 5440 79.932 17.268 -1.355 1.00 0.00 WT1 H ATOM 16744 OH2 TIP3 5441 59.948 19.690 55.872 1.00 0.00 WT1 O ATOM 16745 H1 TIP3 5441 59.540 19.795 55.012 1.00 0.00 WT1 H ATOM 16746 H2 TIP3 5441 59.726 20.494 56.342 1.00 0.00 WT1 H ATOM 16747 OH2 TIP3 5442 57.993 85.032 8.937 1.00 0.00 WT1 O ATOM 16748 H1 TIP3 5442 58.415 84.265 8.549 1.00 0.00 WT1 H ATOM 16749 H2 TIP3 5442 58.580 85.296 9.646 1.00 0.00 WT1 H ATOM 16750 OH2 TIP3 5444 86.783 0.975 -13.354 1.00 0.00 WT1 O ATOM 16751 H1 TIP3 5444 86.333 1.520 -14.000 1.00 0.00 WT1 H ATOM 16752 H2 TIP3 5444 86.090 0.441 -12.966 1.00 0.00 WT1 H ATOM 16753 OH2 TIP3 5445 28.031 39.373 15.532 1.00 0.00 WT1 O ATOM 16754 H1 TIP3 5445 27.442 38.796 15.045 1.00 0.00 WT1 H ATOM 16755 H2 TIP3 5445 28.785 38.823 15.743 1.00 0.00 WT1 H ATOM 16756 OH2 TIP3 5446 48.845 18.310 -13.328 1.00 0.00 WT1 O ATOM 16757 H1 TIP3 5446 48.478 19.181 -13.479 1.00 0.00 WT1 H ATOM 16758 H2 TIP3 5446 49.659 18.472 -12.851 1.00 0.00 WT1 H ATOM 16759 OH2 TIP3 5447 70.415 81.680 56.283 1.00 0.00 WT1 O ATOM 16760 H1 TIP3 5447 70.896 80.910 56.584 1.00 0.00 WT1 H ATOM 16761 H2 TIP3 5447 70.454 82.291 57.019 1.00 0.00 WT1 H ATOM 16762 OH2 TIP3 5448 22.044 15.717 -4.864 1.00 0.00 WT1 O ATOM 16763 H1 TIP3 5448 22.225 16.396 -5.514 1.00 0.00 WT1 H ATOM 16764 H2 TIP3 5448 22.420 16.057 -4.052 1.00 0.00 WT1 H ATOM 16765 OH2 TIP3 5449 22.645 21.020 44.590 1.00 0.00 WT1 O ATOM 16766 H1 TIP3 5449 22.465 21.803 45.111 1.00 0.00 WT1 H ATOM 16767 H2 TIP3 5449 23.264 21.314 43.921 1.00 0.00 WT1 H ATOM 16768 OH2 TIP3 5450 90.637 50.801 25.150 1.00 0.00 WT1 O ATOM 16769 H1 TIP3 5450 89.739 50.539 24.948 1.00 0.00 WT1 H ATOM 16770 H2 TIP3 5450 90.974 51.157 24.327 1.00 0.00 WT1 H ATOM 16771 OH2 TIP3 5451 80.191 30.353 -6.884 1.00 0.00 WT1 O ATOM 16772 H1 TIP3 5451 80.950 30.655 -6.386 1.00 0.00 WT1 H ATOM 16773 H2 TIP3 5451 79.950 29.523 -6.474 1.00 0.00 WT1 H ATOM 16774 OH2 TIP3 5452 21.238 29.041 55.274 1.00 0.00 WT1 O ATOM 16775 H1 TIP3 5452 20.959 28.302 54.734 1.00 0.00 WT1 H ATOM 16776 H2 TIP3 5452 20.765 29.792 54.916 1.00 0.00 WT1 H ATOM 16777 OH2 TIP3 5454 60.138 33.160 0.615 1.00 0.00 WT1 O ATOM 16778 H1 TIP3 5454 60.586 32.929 1.429 1.00 0.00 WT1 H ATOM 16779 H2 TIP3 5454 59.342 33.608 0.898 1.00 0.00 WT1 H ATOM 16780 OH2 TIP3 5456 75.494 64.969 48.926 1.00 0.00 WT1 O ATOM 16781 H1 TIP3 5456 75.465 65.121 49.871 1.00 0.00 WT1 H ATOM 16782 H2 TIP3 5456 76.195 65.541 48.612 1.00 0.00 WT1 H ATOM 16783 OH2 TIP3 5458 89.024 76.144 -9.862 1.00 0.00 WT1 O ATOM 16784 H1 TIP3 5458 89.322 75.341 -10.290 1.00 0.00 WT1 H ATOM 16785 H2 TIP3 5458 89.790 76.718 -9.870 1.00 0.00 WT1 H ATOM 16786 OH2 TIP3 5459 32.484 11.986 12.913 1.00 0.00 WT1 O ATOM 16787 H1 TIP3 5459 32.020 12.375 13.654 1.00 0.00 WT1 H ATOM 16788 H2 TIP3 5459 33.364 12.359 12.957 1.00 0.00 WT1 H ATOM 16789 OH2 TIP3 5460 37.759 28.679 5.510 1.00 0.00 WT1 O ATOM 16790 H1 TIP3 5460 37.872 27.986 6.160 1.00 0.00 WT1 H ATOM 16791 H2 TIP3 5460 38.527 29.240 5.621 1.00 0.00 WT1 H ATOM 16792 OH2 TIP3 5461 82.298 20.672 65.505 1.00 0.00 WT1 O ATOM 16793 H1 TIP3 5461 82.983 21.076 64.972 1.00 0.00 WT1 H ATOM 16794 H2 TIP3 5461 82.706 20.537 66.360 1.00 0.00 WT1 H ATOM 16795 OH2 TIP3 5462 59.206 3.961 -9.580 1.00 0.00 WT1 O ATOM 16796 H1 TIP3 5462 59.206 3.334 -8.857 1.00 0.00 WT1 H ATOM 16797 H2 TIP3 5462 59.503 3.456 -10.337 1.00 0.00 WT1 H ATOM 16798 OH2 TIP3 5463 84.464 6.694 -12.945 1.00 0.00 WT1 O ATOM 16799 H1 TIP3 5463 84.106 6.045 -12.339 1.00 0.00 WT1 H ATOM 16800 H2 TIP3 5463 85.046 7.230 -12.407 1.00 0.00 WT1 H ATOM 16801 OH2 TIP3 5464 35.641 55.545 -16.630 1.00 0.00 WT1 O ATOM 16802 H1 TIP3 5464 35.603 54.750 -16.097 1.00 0.00 WT1 H ATOM 16803 H2 TIP3 5464 36.542 55.854 -16.536 1.00 0.00 WT1 H ATOM 16804 OH2 TIP3 5465 43.789 58.633 7.585 1.00 0.00 WT1 O ATOM 16805 H1 TIP3 5465 44.247 57.856 7.905 1.00 0.00 WT1 H ATOM 16806 H2 TIP3 5465 44.483 59.271 7.420 1.00 0.00 WT1 H ATOM 16807 OH2 TIP3 5466 36.012 37.596 16.609 1.00 0.00 WT1 O ATOM 16808 H1 TIP3 5466 35.793 38.513 16.444 1.00 0.00 WT1 H ATOM 16809 H2 TIP3 5466 36.893 37.623 16.982 1.00 0.00 WT1 H ATOM 16810 OH2 TIP3 5467 20.532 35.965 14.207 1.00 0.00 WT1 O ATOM 16811 H1 TIP3 5467 20.517 36.118 13.263 1.00 0.00 WT1 H ATOM 16812 H2 TIP3 5467 20.006 36.676 14.574 1.00 0.00 WT1 H ATOM 16813 OH2 TIP3 5468 25.438 14.986 40.903 1.00 0.00 WT1 O ATOM 16814 H1 TIP3 5468 24.691 14.511 40.539 1.00 0.00 WT1 H ATOM 16815 H2 TIP3 5468 26.196 14.638 40.433 1.00 0.00 WT1 H ATOM 16816 OH2 TIP3 5469 79.585 14.612 -19.465 1.00 0.00 WT1 O ATOM 16817 H1 TIP3 5469 78.875 15.177 -19.772 1.00 0.00 WT1 H ATOM 16818 H2 TIP3 5469 79.180 14.063 -18.793 1.00 0.00 WT1 H ATOM 16819 OH2 TIP3 5471 71.822 34.971 37.439 1.00 0.00 WT1 O ATOM 16820 H1 TIP3 5471 71.483 35.599 36.801 1.00 0.00 WT1 H ATOM 16821 H2 TIP3 5471 72.752 34.891 37.226 1.00 0.00 WT1 H ATOM 16822 OH2 TIP3 5474 68.734 83.525 44.280 1.00 0.00 WT1 O ATOM 16823 H1 TIP3 5474 68.470 82.709 44.707 1.00 0.00 WT1 H ATOM 16824 H2 TIP3 5474 68.308 83.496 43.423 1.00 0.00 WT1 H ATOM 16825 OH2 TIP3 5476 65.697 68.791 14.391 1.00 0.00 WT1 O ATOM 16826 H1 TIP3 5476 66.461 68.400 13.966 1.00 0.00 WT1 H ATOM 16827 H2 TIP3 5476 64.949 68.328 14.013 1.00 0.00 WT1 H ATOM 16828 OH2 TIP3 5477 87.127 46.511 19.789 1.00 0.00 WT1 O ATOM 16829 H1 TIP3 5477 86.541 47.205 20.091 1.00 0.00 WT1 H ATOM 16830 H2 TIP3 5477 87.013 46.497 18.838 1.00 0.00 WT1 H ATOM 16831 OH2 TIP3 5478 38.365 5.234 60.235 1.00 0.00 WT1 O ATOM 16832 H1 TIP3 5478 37.601 4.704 60.464 1.00 0.00 WT1 H ATOM 16833 H2 TIP3 5478 38.727 4.811 59.457 1.00 0.00 WT1 H ATOM 16834 OH2 TIP3 5479 66.599 96.137 54.323 1.00 0.00 WT1 O ATOM 16835 H1 TIP3 5479 67.064 95.860 55.113 1.00 0.00 WT1 H ATOM 16836 H2 TIP3 5479 66.793 95.456 53.679 1.00 0.00 WT1 H ATOM 16837 OH2 TIP3 5480 72.003 79.088 62.745 1.00 0.00 WT1 O ATOM 16838 H1 TIP3 5480 71.079 79.025 62.988 1.00 0.00 WT1 H ATOM 16839 H2 TIP3 5480 72.414 78.331 63.163 1.00 0.00 WT1 H ATOM 16840 OH2 TIP3 5481 76.376 88.510 28.451 1.00 0.00 WT1 O ATOM 16841 H1 TIP3 5481 75.794 89.266 28.531 1.00 0.00 WT1 H ATOM 16842 H2 TIP3 5481 76.021 88.011 27.715 1.00 0.00 WT1 H ATOM 16843 OH2 TIP3 5482 80.440 66.772 66.999 1.00 0.00 WT1 O ATOM 16844 H1 TIP3 5482 79.833 67.171 66.376 1.00 0.00 WT1 H ATOM 16845 H2 TIP3 5482 79.875 66.347 67.645 1.00 0.00 WT1 H ATOM 16846 OH2 TIP3 5483 72.064 31.427 8.063 1.00 0.00 WT1 O ATOM 16847 H1 TIP3 5483 71.424 32.122 7.910 1.00 0.00 WT1 H ATOM 16848 H2 TIP3 5483 72.514 31.688 8.866 1.00 0.00 WT1 H ATOM 16849 OH2 TIP3 5484 51.352 93.968 64.472 1.00 0.00 WT1 O ATOM 16850 H1 TIP3 5484 50.693 94.550 64.094 1.00 0.00 WT1 H ATOM 16851 H2 TIP3 5484 51.052 93.087 64.244 1.00 0.00 WT1 H ATOM 16852 OH2 TIP3 5485 64.487 25.966 17.149 1.00 0.00 WT1 O ATOM 16853 H1 TIP3 5485 64.717 26.745 16.643 1.00 0.00 WT1 H ATOM 16854 H2 TIP3 5485 64.709 26.192 18.052 1.00 0.00 WT1 H ATOM 16855 OH2 TIP3 5486 78.201 32.860 13.785 1.00 0.00 WT1 O ATOM 16856 H1 TIP3 5486 78.290 33.715 13.362 1.00 0.00 WT1 H ATOM 16857 H2 TIP3 5486 77.602 32.374 13.218 1.00 0.00 WT1 H ATOM 16858 OH2 TIP3 5487 66.320 41.534 66.738 1.00 0.00 WT1 O ATOM 16859 H1 TIP3 5487 66.982 41.502 67.427 1.00 0.00 WT1 H ATOM 16860 H2 TIP3 5487 66.672 40.982 66.040 1.00 0.00 WT1 H ATOM 16861 OH2 TIP3 5488 87.254 33.544 14.109 1.00 0.00 WT1 O ATOM 16862 H1 TIP3 5488 86.930 32.765 13.657 1.00 0.00 WT1 H ATOM 16863 H2 TIP3 5488 88.185 33.580 13.887 1.00 0.00 WT1 H ATOM 16864 OH2 TIP3 5489 70.782 26.673 21.788 1.00 0.00 WT1 O ATOM 16865 H1 TIP3 5489 71.552 26.326 21.338 1.00 0.00 WT1 H ATOM 16866 H2 TIP3 5489 71.133 27.320 22.401 1.00 0.00 WT1 H ATOM 16867 OH2 TIP3 5491 81.292 58.063 47.583 1.00 0.00 WT1 O ATOM 16868 H1 TIP3 5491 80.923 58.905 47.850 1.00 0.00 WT1 H ATOM 16869 H2 TIP3 5491 80.552 57.587 47.205 1.00 0.00 WT1 H ATOM 16870 OH2 TIP3 5492 84.251 95.338 30.016 1.00 0.00 WT1 O ATOM 16871 H1 TIP3 5492 84.343 94.387 29.969 1.00 0.00 WT1 H ATOM 16872 H2 TIP3 5492 83.473 95.531 29.493 1.00 0.00 WT1 H ATOM 16873 OH2 TIP3 5493 51.923 36.943 -3.061 1.00 0.00 WT1 O ATOM 16874 H1 TIP3 5493 52.324 36.082 -2.945 1.00 0.00 WT1 H ATOM 16875 H2 TIP3 5493 52.574 37.448 -3.549 1.00 0.00 WT1 H ATOM 16876 OH2 TIP3 5494 81.637 64.352 52.936 1.00 0.00 WT1 O ATOM 16877 H1 TIP3 5494 80.840 64.187 53.441 1.00 0.00 WT1 H ATOM 16878 H2 TIP3 5494 81.503 63.878 52.115 1.00 0.00 WT1 H ATOM 16879 OH2 TIP3 5495 64.884 49.116 36.995 1.00 0.00 WT1 O ATOM 16880 H1 TIP3 5495 64.013 49.335 37.326 1.00 0.00 WT1 H ATOM 16881 H2 TIP3 5495 64.726 48.442 36.333 1.00 0.00 WT1 H ATOM 16882 OH2 TIP3 5496 52.015 94.180 -1.052 1.00 0.00 WT1 O ATOM 16883 H1 TIP3 5496 51.204 94.074 -1.549 1.00 0.00 WT1 H ATOM 16884 H2 TIP3 5496 52.109 93.358 -0.569 1.00 0.00 WT1 H ATOM 16885 OH2 TIP3 5497 72.677 86.120 5.681 1.00 0.00 WT1 O ATOM 16886 H1 TIP3 5497 73.336 85.741 5.099 1.00 0.00 WT1 H ATOM 16887 H2 TIP3 5497 71.874 85.641 5.478 1.00 0.00 WT1 H ATOM 16888 OH2 TIP3 5498 41.527 85.468 3.213 1.00 0.00 WT1 O ATOM 16889 H1 TIP3 5498 40.964 84.782 3.571 1.00 0.00 WT1 H ATOM 16890 H2 TIP3 5498 41.320 86.244 3.735 1.00 0.00 WT1 H ATOM 16891 OH2 TIP3 5500 35.443 45.376 56.770 1.00 0.00 WT1 O ATOM 16892 H1 TIP3 5500 35.716 45.070 55.905 1.00 0.00 WT1 H ATOM 16893 H2 TIP3 5500 35.848 44.759 57.380 1.00 0.00 WT1 H ATOM 16894 OH2 TIP3 5503 76.198 76.071 53.910 1.00 0.00 WT1 O ATOM 16895 H1 TIP3 5503 75.343 76.401 53.634 1.00 0.00 WT1 H ATOM 16896 H2 TIP3 5503 76.208 75.159 53.618 1.00 0.00 WT1 H ATOM 16897 OH2 TIP3 5504 62.276 24.054 17.916 1.00 0.00 WT1 O ATOM 16898 H1 TIP3 5504 62.771 24.837 17.674 1.00 0.00 WT1 H ATOM 16899 H2 TIP3 5504 61.360 24.307 17.808 1.00 0.00 WT1 H ATOM 16900 OH2 TIP3 5505 88.228 44.228 -1.064 1.00 0.00 WT1 O ATOM 16901 H1 TIP3 5505 87.509 44.162 -0.435 1.00 0.00 WT1 H ATOM 16902 H2 TIP3 5505 87.797 44.283 -1.917 1.00 0.00 WT1 H ATOM 16903 OH2 TIP3 5506 49.591 10.667 -1.837 1.00 0.00 WT1 O ATOM 16904 H1 TIP3 5506 49.308 9.853 -2.255 1.00 0.00 WT1 H ATOM 16905 H2 TIP3 5506 49.475 10.507 -0.900 1.00 0.00 WT1 H ATOM 16906 OH2 TIP3 5507 33.443 34.768 25.684 1.00 0.00 WT1 O ATOM 16907 H1 TIP3 5507 34.321 34.398 25.783 1.00 0.00 WT1 H ATOM 16908 H2 TIP3 5507 33.583 35.604 25.240 1.00 0.00 WT1 H ATOM 16909 OH2 TIP3 5510 21.287 84.643 -11.756 1.00 0.00 WT1 O ATOM 16910 H1 TIP3 5510 22.139 84.245 -11.936 1.00 0.00 WT1 H ATOM 16911 H2 TIP3 5510 20.842 84.012 -11.190 1.00 0.00 WT1 H ATOM 16912 OH2 TIP3 5511 62.052 13.829 4.669 1.00 0.00 WT1 O ATOM 16913 H1 TIP3 5511 61.497 14.575 4.443 1.00 0.00 WT1 H ATOM 16914 H2 TIP3 5511 62.686 13.776 3.953 1.00 0.00 WT1 H ATOM 16915 OH2 TIP3 5512 44.943 33.482 41.877 1.00 0.00 WT1 O ATOM 16916 H1 TIP3 5512 45.272 32.862 41.227 1.00 0.00 WT1 H ATOM 16917 H2 TIP3 5512 44.049 33.674 41.596 1.00 0.00 WT1 H ATOM 16918 OH2 TIP3 5513 80.199 21.868 39.300 1.00 0.00 WT1 O ATOM 16919 H1 TIP3 5513 80.381 21.564 40.189 1.00 0.00 WT1 H ATOM 16920 H2 TIP3 5513 81.031 22.232 38.996 1.00 0.00 WT1 H ATOM 16921 OH2 TIP3 5515 72.914 43.740 14.465 1.00 0.00 WT1 O ATOM 16922 H1 TIP3 5515 73.650 44.327 14.291 1.00 0.00 WT1 H ATOM 16923 H2 TIP3 5515 72.220 44.314 14.788 1.00 0.00 WT1 H ATOM 16924 OH2 TIP3 5516 23.636 56.025 28.277 1.00 0.00 WT1 O ATOM 16925 H1 TIP3 5516 23.727 55.188 27.822 1.00 0.00 WT1 H ATOM 16926 H2 TIP3 5516 23.391 56.646 27.592 1.00 0.00 WT1 H ATOM 16927 OH2 TIP3 5517 23.025 40.648 15.785 1.00 0.00 WT1 O ATOM 16928 H1 TIP3 5517 23.971 40.645 15.931 1.00 0.00 WT1 H ATOM 16929 H2 TIP3 5517 22.909 40.189 14.953 1.00 0.00 WT1 H ATOM 16930 OH2 TIP3 5519 62.476 15.711 59.417 1.00 0.00 WT1 O ATOM 16931 H1 TIP3 5519 61.540 15.815 59.591 1.00 0.00 WT1 H ATOM 16932 H2 TIP3 5519 62.906 16.214 60.108 1.00 0.00 WT1 H ATOM 16933 OH2 TIP3 5521 89.150 67.536 14.076 1.00 0.00 WT1 O ATOM 16934 H1 TIP3 5521 88.723 66.962 13.440 1.00 0.00 WT1 H ATOM 16935 H2 TIP3 5521 89.804 66.981 14.501 1.00 0.00 WT1 H ATOM 16936 OH2 TIP3 5522 46.028 43.836 6.299 1.00 0.00 WT1 O ATOM 16937 H1 TIP3 5522 45.251 43.354 6.583 1.00 0.00 WT1 H ATOM 16938 H2 TIP3 5522 46.428 44.145 7.112 1.00 0.00 WT1 H ATOM 16939 OH2 TIP3 5523 85.516 85.740 -16.384 1.00 0.00 WT1 O ATOM 16940 H1 TIP3 5523 86.277 86.300 -16.231 1.00 0.00 WT1 H ATOM 16941 H2 TIP3 5523 85.591 85.048 -15.727 1.00 0.00 WT1 H ATOM 16942 OH2 TIP3 5524 72.235 24.017 9.426 1.00 0.00 WT1 O ATOM 16943 H1 TIP3 5524 71.293 23.992 9.258 1.00 0.00 WT1 H ATOM 16944 H2 TIP3 5524 72.634 23.751 8.598 1.00 0.00 WT1 H ATOM 16945 OH2 TIP3 5525 45.911 12.099 -16.292 1.00 0.00 WT1 O ATOM 16946 H1 TIP3 5525 46.425 12.588 -16.933 1.00 0.00 WT1 H ATOM 16947 H2 TIP3 5525 46.093 12.531 -15.457 1.00 0.00 WT1 H ATOM 16948 OH2 TIP3 5526 77.032 50.563 39.630 1.00 0.00 WT1 O ATOM 16949 H1 TIP3 5526 76.225 50.809 39.177 1.00 0.00 WT1 H ATOM 16950 H2 TIP3 5526 77.683 51.192 39.320 1.00 0.00 WT1 H ATOM 16951 OH2 TIP3 5527 60.548 34.146 59.613 1.00 0.00 WT1 O ATOM 16952 H1 TIP3 5527 60.290 34.667 60.373 1.00 0.00 WT1 H ATOM 16953 H2 TIP3 5527 59.769 34.130 59.057 1.00 0.00 WT1 H ATOM 16954 OH2 TIP3 5528 76.117 38.673 9.542 1.00 0.00 WT1 O ATOM 16955 H1 TIP3 5528 75.776 39.378 8.991 1.00 0.00 WT1 H ATOM 16956 H2 TIP3 5528 77.011 38.943 9.752 1.00 0.00 WT1 H ATOM 16957 OH2 TIP3 5529 68.567 48.537 45.136 1.00 0.00 WT1 O ATOM 16958 H1 TIP3 5529 68.643 47.868 44.456 1.00 0.00 WT1 H ATOM 16959 H2 TIP3 5529 68.113 49.263 44.708 1.00 0.00 WT1 H ATOM 16960 OH2 TIP3 5530 69.236 25.366 25.250 1.00 0.00 WT1 O ATOM 16961 H1 TIP3 5530 69.059 26.294 25.093 1.00 0.00 WT1 H ATOM 16962 H2 TIP3 5530 69.497 25.023 24.395 1.00 0.00 WT1 H ATOM 16963 OH2 TIP3 5531 49.441 7.385 46.432 1.00 0.00 WT1 O ATOM 16964 H1 TIP3 5531 48.731 6.948 45.962 1.00 0.00 WT1 H ATOM 16965 H2 TIP3 5531 49.105 7.501 47.321 1.00 0.00 WT1 H ATOM 16966 OH2 TIP3 5532 88.149 39.389 65.320 1.00 0.00 WT1 O ATOM 16967 H1 TIP3 5532 87.841 40.252 65.597 1.00 0.00 WT1 H ATOM 16968 H2 TIP3 5532 87.753 38.782 65.945 1.00 0.00 WT1 H ATOM 16969 OH2 TIP3 5533 25.323 79.173 -9.909 1.00 0.00 WT1 O ATOM 16970 H1 TIP3 5533 25.759 78.465 -9.434 1.00 0.00 WT1 H ATOM 16971 H2 TIP3 5533 25.891 79.933 -9.783 1.00 0.00 WT1 H ATOM 16972 OH2 TIP3 5534 84.795 28.627 38.654 1.00 0.00 WT1 O ATOM 16973 H1 TIP3 5534 85.134 29.132 37.915 1.00 0.00 WT1 H ATOM 16974 H2 TIP3 5534 84.708 27.736 38.316 1.00 0.00 WT1 H ATOM 16975 OH2 TIP3 5535 32.794 70.127 44.564 1.00 0.00 WT1 O ATOM 16976 H1 TIP3 5535 32.715 69.391 43.958 1.00 0.00 WT1 H ATOM 16977 H2 TIP3 5535 33.481 70.676 44.186 1.00 0.00 WT1 H ATOM 16978 OH2 TIP3 5536 38.352 51.877 7.235 1.00 0.00 WT1 O ATOM 16979 H1 TIP3 5536 39.217 52.275 7.334 1.00 0.00 WT1 H ATOM 16980 H2 TIP3 5536 38.330 51.574 6.327 1.00 0.00 WT1 H ATOM 16981 OH2 TIP3 5538 76.928 20.108 -7.967 1.00 0.00 WT1 O ATOM 16982 H1 TIP3 5538 76.476 19.840 -7.166 1.00 0.00 WT1 H ATOM 16983 H2 TIP3 5538 77.834 19.829 -7.835 1.00 0.00 WT1 H ATOM 16984 OH2 TIP3 5543 31.241 47.639 65.160 1.00 0.00 WT1 O ATOM 16985 H1 TIP3 5543 31.449 47.477 66.080 1.00 0.00 WT1 H ATOM 16986 H2 TIP3 5543 31.850 47.081 64.675 1.00 0.00 WT1 H ATOM 16987 OH2 TIP3 5544 73.700 62.252 40.533 1.00 0.00 WT1 O ATOM 16988 H1 TIP3 5544 73.083 62.799 41.019 1.00 0.00 WT1 H ATOM 16989 H2 TIP3 5544 73.256 61.409 40.445 1.00 0.00 WT1 H ATOM 16990 OH2 TIP3 5545 50.332 7.045 17.314 1.00 0.00 WT1 O ATOM 16991 H1 TIP3 5545 49.717 7.744 17.092 1.00 0.00 WT1 H ATOM 16992 H2 TIP3 5545 49.920 6.587 18.047 1.00 0.00 WT1 H ATOM 16993 OH2 TIP3 5547 54.068 43.530 1.594 1.00 0.00 WT1 O ATOM 16994 H1 TIP3 5547 54.420 42.699 1.914 1.00 0.00 WT1 H ATOM 16995 H2 TIP3 5547 53.937 44.055 2.384 1.00 0.00 WT1 H ATOM 16996 OH2 TIP3 5548 68.164 79.458 -5.785 1.00 0.00 WT1 O ATOM 16997 H1 TIP3 5548 67.580 78.782 -5.442 1.00 0.00 WT1 H ATOM 16998 H2 TIP3 5548 69.045 79.121 -5.620 1.00 0.00 WT1 H ATOM 16999 OH2 TIP3 5549 54.782 51.453 2.740 1.00 0.00 WT1 O ATOM 17000 H1 TIP3 5549 53.854 51.219 2.746 1.00 0.00 WT1 H ATOM 17001 H2 TIP3 5549 54.792 52.398 2.887 1.00 0.00 WT1 H ATOM 17002 OH2 TIP3 5550 60.365 16.407 28.261 1.00 0.00 WT1 O ATOM 17003 H1 TIP3 5550 61.094 17.025 28.215 1.00 0.00 WT1 H ATOM 17004 H2 TIP3 5550 59.585 16.959 28.311 1.00 0.00 WT1 H ATOM 17005 OH2 TIP3 5551 45.775 24.480 -5.416 1.00 0.00 WT1 O ATOM 17006 H1 TIP3 5551 46.496 23.963 -5.058 1.00 0.00 WT1 H ATOM 17007 H2 TIP3 5551 45.613 24.100 -6.279 1.00 0.00 WT1 H ATOM 17008 OH2 TIP3 5552 36.194 30.581 -4.234 1.00 0.00 WT1 O ATOM 17009 H1 TIP3 5552 35.985 30.167 -3.397 1.00 0.00 WT1 H ATOM 17010 H2 TIP3 5552 35.497 31.225 -4.363 1.00 0.00 WT1 H ATOM 17011 OH2 TIP3 5553 60.623 38.423 66.427 1.00 0.00 WT1 O ATOM 17012 H1 TIP3 5553 60.479 39.294 66.795 1.00 0.00 WT1 H ATOM 17013 H2 TIP3 5553 59.744 38.065 66.304 1.00 0.00 WT1 H ATOM 17014 OH2 TIP3 5554 71.374 62.686 48.876 1.00 0.00 WT1 O ATOM 17015 H1 TIP3 5554 72.047 63.314 48.612 1.00 0.00 WT1 H ATOM 17016 H2 TIP3 5554 70.692 62.772 48.210 1.00 0.00 WT1 H ATOM 17017 OH2 TIP3 5555 53.644 6.594 6.152 1.00 0.00 WT1 O ATOM 17018 H1 TIP3 5555 53.739 5.707 6.499 1.00 0.00 WT1 H ATOM 17019 H2 TIP3 5555 52.699 6.748 6.141 1.00 0.00 WT1 H ATOM 17020 OH2 TIP3 5556 36.659 77.578 22.161 1.00 0.00 WT1 O ATOM 17021 H1 TIP3 5556 37.516 77.538 21.738 1.00 0.00 WT1 H ATOM 17022 H2 TIP3 5556 36.733 76.988 22.911 1.00 0.00 WT1 H ATOM 17023 OH2 TIP3 5558 57.719 63.978 15.500 1.00 0.00 WT1 O ATOM 17024 H1 TIP3 5558 57.769 63.287 14.840 1.00 0.00 WT1 H ATOM 17025 H2 TIP3 5558 58.014 63.560 16.309 1.00 0.00 WT1 H ATOM 17026 OH2 TIP3 5559 39.854 89.098 6.738 1.00 0.00 WT1 O ATOM 17027 H1 TIP3 5559 39.410 88.290 6.993 1.00 0.00 WT1 H ATOM 17028 H2 TIP3 5559 39.425 89.781 7.255 1.00 0.00 WT1 H ATOM 17029 OH2 TIP3 5561 32.365 58.978 55.513 1.00 0.00 WT1 O ATOM 17030 H1 TIP3 5561 31.708 58.471 55.990 1.00 0.00 WT1 H ATOM 17031 H2 TIP3 5561 33.129 58.403 55.475 1.00 0.00 WT1 H ATOM 17032 OH2 TIP3 5563 56.358 87.812 38.905 1.00 0.00 WT1 O ATOM 17033 H1 TIP3 5563 56.072 87.099 38.335 1.00 0.00 WT1 H ATOM 17034 H2 TIP3 5563 57.112 87.457 39.376 1.00 0.00 WT1 H ATOM 17035 OH2 TIP3 5564 46.556 48.198 43.368 1.00 0.00 WT1 O ATOM 17036 H1 TIP3 5564 46.968 48.356 42.519 1.00 0.00 WT1 H ATOM 17037 H2 TIP3 5564 45.633 48.049 43.162 1.00 0.00 WT1 H ATOM 17038 OH2 TIP3 5565 85.896 44.455 0.137 1.00 0.00 WT1 O ATOM 17039 H1 TIP3 5565 85.906 45.237 0.688 1.00 0.00 WT1 H ATOM 17040 H2 TIP3 5565 85.255 44.651 -0.547 1.00 0.00 WT1 H ATOM 17041 OH2 TIP3 5566 26.714 34.356 53.025 1.00 0.00 WT1 O ATOM 17042 H1 TIP3 5566 26.425 35.089 52.482 1.00 0.00 WT1 H ATOM 17043 H2 TIP3 5566 27.403 34.724 53.578 1.00 0.00 WT1 H ATOM 17044 OH2 TIP3 5567 61.860 59.062 51.276 1.00 0.00 WT1 O ATOM 17045 H1 TIP3 5567 61.824 59.647 50.520 1.00 0.00 WT1 H ATOM 17046 H2 TIP3 5567 61.035 58.577 51.243 1.00 0.00 WT1 H ATOM 17047 OH2 TIP3 5568 39.628 65.726 -12.877 1.00 0.00 WT1 O ATOM 17048 H1 TIP3 5568 40.303 66.033 -12.271 1.00 0.00 WT1 H ATOM 17049 H2 TIP3 5568 39.487 64.810 -12.635 1.00 0.00 WT1 H ATOM 17050 OH2 TIP3 5569 42.001 43.190 57.795 1.00 0.00 WT1 O ATOM 17051 H1 TIP3 5569 42.314 43.371 58.681 1.00 0.00 WT1 H ATOM 17052 H2 TIP3 5569 42.539 43.748 57.232 1.00 0.00 WT1 H ATOM 17053 OH2 TIP3 5570 63.938 31.826 -11.219 1.00 0.00 WT1 O ATOM 17054 H1 TIP3 5570 64.254 32.659 -11.569 1.00 0.00 WT1 H ATOM 17055 H2 TIP3 5570 63.310 32.075 -10.540 1.00 0.00 WT1 H ATOM 17056 OH2 TIP3 5571 74.249 17.695 10.120 1.00 0.00 WT1 O ATOM 17057 H1 TIP3 5571 74.273 18.112 10.981 1.00 0.00 WT1 H ATOM 17058 H2 TIP3 5571 73.336 17.769 9.842 1.00 0.00 WT1 H ATOM 17059 OH2 TIP3 5572 75.132 68.124 -8.025 1.00 0.00 WT1 O ATOM 17060 H1 TIP3 5572 74.568 68.498 -7.348 1.00 0.00 WT1 H ATOM 17061 H2 TIP3 5572 74.585 68.108 -8.811 1.00 0.00 WT1 H ATOM 17062 OH2 TIP3 5573 45.591 64.943 53.296 1.00 0.00 WT1 O ATOM 17063 H1 TIP3 5573 45.075 64.864 52.494 1.00 0.00 WT1 H ATOM 17064 H2 TIP3 5573 46.431 64.537 53.081 1.00 0.00 WT1 H ATOM 17065 OH2 TIP3 5575 30.529 2.132 48.137 1.00 0.00 WT1 O ATOM 17066 H1 TIP3 5575 30.128 1.954 47.287 1.00 0.00 WT1 H ATOM 17067 H2 TIP3 5575 31.404 2.460 47.926 1.00 0.00 WT1 H ATOM 17068 OH2 TIP3 5576 26.997 52.418 35.169 1.00 0.00 WT1 O ATOM 17069 H1 TIP3 5576 27.083 52.437 34.215 1.00 0.00 WT1 H ATOM 17070 H2 TIP3 5576 26.788 53.321 35.408 1.00 0.00 WT1 H ATOM 17071 OH2 TIP3 5577 26.850 54.065 5.941 1.00 0.00 WT1 O ATOM 17072 H1 TIP3 5577 27.762 54.354 5.946 1.00 0.00 WT1 H ATOM 17073 H2 TIP3 5577 26.341 54.875 5.927 1.00 0.00 WT1 H ATOM 17074 OH2 TIP3 5579 38.137 33.131 16.378 1.00 0.00 WT1 O ATOM 17075 H1 TIP3 5579 38.874 33.603 15.990 1.00 0.00 WT1 H ATOM 17076 H2 TIP3 5579 38.532 32.356 16.778 1.00 0.00 WT1 H ATOM 17077 OH2 TIP3 5581 89.457 54.186 27.812 1.00 0.00 WT1 O ATOM 17078 H1 TIP3 5581 90.305 54.413 28.192 1.00 0.00 WT1 H ATOM 17079 H2 TIP3 5581 88.897 54.937 28.007 1.00 0.00 WT1 H ATOM 17080 OH2 TIP3 5584 20.703 80.219 46.032 1.00 0.00 WT1 O ATOM 17081 H1 TIP3 5584 21.128 80.794 45.396 1.00 0.00 WT1 H ATOM 17082 H2 TIP3 5584 20.715 80.716 46.850 1.00 0.00 WT1 H ATOM 17083 OH2 TIP3 5585 57.645 37.805 47.373 1.00 0.00 WT1 O ATOM 17084 H1 TIP3 5585 56.970 38.483 47.360 1.00 0.00 WT1 H ATOM 17085 H2 TIP3 5585 58.220 38.025 46.640 1.00 0.00 WT1 H ATOM 17086 OH2 TIP3 5587 57.055 43.800 35.911 1.00 0.00 WT1 O ATOM 17087 H1 TIP3 5587 58.004 43.879 35.820 1.00 0.00 WT1 H ATOM 17088 H2 TIP3 5587 56.706 44.575 35.472 1.00 0.00 WT1 H ATOM 17089 OH2 TIP3 5589 84.603 11.785 7.113 1.00 0.00 WT1 O ATOM 17090 H1 TIP3 5589 84.141 12.584 7.367 1.00 0.00 WT1 H ATOM 17091 H2 TIP3 5589 85.133 12.044 6.359 1.00 0.00 WT1 H ATOM 17092 OH2 TIP3 5590 30.972 17.206 4.442 1.00 0.00 WT1 O ATOM 17093 H1 TIP3 5590 30.166 17.589 4.788 1.00 0.00 WT1 H ATOM 17094 H2 TIP3 5590 31.248 17.811 3.753 1.00 0.00 WT1 H ATOM 17095 OH2 TIP3 5591 57.092 66.379 -15.279 1.00 0.00 WT1 O ATOM 17096 H1 TIP3 5591 56.846 67.020 -14.612 1.00 0.00 WT1 H ATOM 17097 H2 TIP3 5591 56.405 65.714 -15.238 1.00 0.00 WT1 H ATOM 17098 OH2 TIP3 5592 82.966 16.532 5.059 1.00 0.00 WT1 O ATOM 17099 H1 TIP3 5592 83.203 17.167 4.383 1.00 0.00 WT1 H ATOM 17100 H2 TIP3 5592 83.505 16.772 5.813 1.00 0.00 WT1 H ATOM 17101 OH2 TIP3 5595 63.135 37.021 61.098 1.00 0.00 WT1 O ATOM 17102 H1 TIP3 5595 62.966 36.343 61.752 1.00 0.00 WT1 H ATOM 17103 H2 TIP3 5595 62.367 37.592 61.141 1.00 0.00 WT1 H ATOM 17104 OH2 TIP3 5596 40.439 76.356 15.959 1.00 0.00 WT1 O ATOM 17105 H1 TIP3 5596 41.157 76.891 16.297 1.00 0.00 WT1 H ATOM 17106 H2 TIP3 5596 39.679 76.618 16.478 1.00 0.00 WT1 H ATOM 17107 OH2 TIP3 5597 54.950 53.075 18.820 1.00 0.00 WT1 O ATOM 17108 H1 TIP3 5597 54.902 53.338 17.901 1.00 0.00 WT1 H ATOM 17109 H2 TIP3 5597 54.976 52.119 18.796 1.00 0.00 WT1 H ATOM 17110 OH2 TIP3 5598 74.877 26.651 -9.082 1.00 0.00 WT1 O ATOM 17111 H1 TIP3 5598 75.261 26.680 -9.959 1.00 0.00 WT1 H ATOM 17112 H2 TIP3 5598 74.733 25.720 -8.914 1.00 0.00 WT1 H ATOM 17113 OH2 TIP3 5605 64.119 53.360 24.669 1.00 0.00 WT1 O ATOM 17114 H1 TIP3 5605 63.420 53.695 24.108 1.00 0.00 WT1 H ATOM 17115 H2 TIP3 5605 63.751 53.385 25.552 1.00 0.00 WT1 H ATOM 17116 OH2 TIP3 5606 42.649 17.012 -6.889 1.00 0.00 WT1 O ATOM 17117 H1 TIP3 5606 42.140 17.815 -7.006 1.00 0.00 WT1 H ATOM 17118 H2 TIP3 5606 41.998 16.311 -6.900 1.00 0.00 WT1 H ATOM 17119 OH2 TIP3 5607 46.259 38.130 -18.443 1.00 0.00 WT1 O ATOM 17120 H1 TIP3 5607 46.004 38.663 -17.690 1.00 0.00 WT1 H ATOM 17121 H2 TIP3 5607 47.093 38.502 -18.728 1.00 0.00 WT1 H ATOM 17122 OH2 TIP3 5608 48.246 13.387 -17.850 1.00 0.00 WT1 O ATOM 17123 H1 TIP3 5608 48.142 12.849 -18.635 1.00 0.00 WT1 H ATOM 17124 H2 TIP3 5608 48.723 14.161 -18.151 1.00 0.00 WT1 H ATOM 17125 OH2 TIP3 5609 87.108 39.093 55.876 1.00 0.00 WT1 O ATOM 17126 H1 TIP3 5609 87.887 39.510 56.245 1.00 0.00 WT1 H ATOM 17127 H2 TIP3 5609 86.465 39.799 55.811 1.00 0.00 WT1 H ATOM 17128 OH2 TIP3 5610 66.219 42.330 -5.275 1.00 0.00 WT1 O ATOM 17129 H1 TIP3 5610 65.736 41.515 -5.135 1.00 0.00 WT1 H ATOM 17130 H2 TIP3 5610 65.576 42.925 -5.661 1.00 0.00 WT1 H ATOM 17131 OH2 TIP3 5611 71.024 28.632 59.934 1.00 0.00 WT1 O ATOM 17132 H1 TIP3 5611 70.828 27.704 59.800 1.00 0.00 WT1 H ATOM 17133 H2 TIP3 5611 71.604 28.647 60.695 1.00 0.00 WT1 H ATOM 17134 OH2 TIP3 5612 63.135 66.825 42.871 1.00 0.00 WT1 O ATOM 17135 H1 TIP3 5612 62.413 66.201 42.795 1.00 0.00 WT1 H ATOM 17136 H2 TIP3 5612 63.806 66.490 42.277 1.00 0.00 WT1 H ATOM 17137 OH2 TIP3 5613 71.109 37.344 46.026 1.00 0.00 WT1 O ATOM 17138 H1 TIP3 5613 71.636 38.125 45.856 1.00 0.00 WT1 H ATOM 17139 H2 TIP3 5613 71.105 36.871 45.193 1.00 0.00 WT1 H ATOM 17140 OH2 TIP3 5614 46.704 76.876 15.549 1.00 0.00 WT1 O ATOM 17141 H1 TIP3 5614 47.595 76.857 15.199 1.00 0.00 WT1 H ATOM 17142 H2 TIP3 5614 46.773 77.392 16.352 1.00 0.00 WT1 H ATOM 17143 OH2 TIP3 5615 70.119 57.327 23.506 1.00 0.00 WT1 O ATOM 17144 H1 TIP3 5615 70.027 57.582 24.423 1.00 0.00 WT1 H ATOM 17145 H2 TIP3 5615 69.322 56.833 23.312 1.00 0.00 WT1 H ATOM 17146 OH2 TIP3 5616 27.013 81.362 -10.092 1.00 0.00 WT1 O ATOM 17147 H1 TIP3 5616 26.621 81.893 -10.786 1.00 0.00 WT1 H ATOM 17148 H2 TIP3 5616 27.849 81.789 -9.907 1.00 0.00 WT1 H ATOM 17149 OH2 TIP3 5618 53.817 38.403 -4.494 1.00 0.00 WT1 O ATOM 17150 H1 TIP3 5618 53.564 38.951 -5.237 1.00 0.00 WT1 H ATOM 17151 H2 TIP3 5618 54.774 38.416 -4.501 1.00 0.00 WT1 H ATOM 17152 OH2 TIP3 5626 70.921 55.831 61.076 1.00 0.00 WT1 O ATOM 17153 H1 TIP3 5626 70.028 55.486 61.075 1.00 0.00 WT1 H ATOM 17154 H2 TIP3 5626 71.321 55.458 61.862 1.00 0.00 WT1 H ATOM 17155 OH2 TIP3 5630 55.071 20.498 35.062 1.00 0.00 WT1 O ATOM 17156 H1 TIP3 5630 54.897 19.578 34.866 1.00 0.00 WT1 H ATOM 17157 H2 TIP3 5630 54.761 20.971 34.289 1.00 0.00 WT1 H ATOM 17158 OH2 TIP3 5631 86.455 21.640 0.574 1.00 0.00 WT1 O ATOM 17159 H1 TIP3 5631 86.132 22.512 0.345 1.00 0.00 WT1 H ATOM 17160 H2 TIP3 5631 87.324 21.796 0.943 1.00 0.00 WT1 H ATOM 17161 OH2 TIP3 5632 53.283 95.778 65.834 1.00 0.00 WT1 O ATOM 17162 H1 TIP3 5632 52.462 95.700 65.348 1.00 0.00 WT1 H ATOM 17163 H2 TIP3 5632 53.224 96.629 66.269 1.00 0.00 WT1 H ATOM 17164 OH2 TIP3 5633 59.739 37.758 -14.163 1.00 0.00 WT1 O ATOM 17165 H1 TIP3 5633 58.867 37.982 -14.488 1.00 0.00 WT1 H ATOM 17166 H2 TIP3 5633 59.872 38.338 -13.413 1.00 0.00 WT1 H ATOM 17167 OH2 TIP3 5636 59.046 60.037 0.125 1.00 0.00 WT1 O ATOM 17168 H1 TIP3 5636 58.433 59.601 0.717 1.00 0.00 WT1 H ATOM 17169 H2 TIP3 5636 59.423 60.744 0.647 1.00 0.00 WT1 H ATOM 17170 OH2 TIP3 5637 58.193 29.704 -11.610 1.00 0.00 WT1 O ATOM 17171 H1 TIP3 5637 58.000 28.769 -11.675 1.00 0.00 WT1 H ATOM 17172 H2 TIP3 5637 57.593 30.027 -10.938 1.00 0.00 WT1 H ATOM 17173 OH2 TIP3 5642 23.427 68.095 55.319 1.00 0.00 WT1 O ATOM 17174 H1 TIP3 5642 22.890 68.254 54.544 1.00 0.00 WT1 H ATOM 17175 H2 TIP3 5642 23.572 68.964 55.694 1.00 0.00 WT1 H ATOM 17176 OH2 TIP3 5647 64.787 19.810 -18.901 1.00 0.00 WT1 O ATOM 17177 H1 TIP3 5647 64.812 20.542 -18.285 1.00 0.00 WT1 H ATOM 17178 H2 TIP3 5647 64.918 20.214 -19.759 1.00 0.00 WT1 H ATOM 17179 OH2 TIP3 5648 35.600 24.898 16.228 1.00 0.00 WT1 O ATOM 17180 H1 TIP3 5648 34.668 24.921 16.010 1.00 0.00 WT1 H ATOM 17181 H2 TIP3 5648 36.043 25.152 15.419 1.00 0.00 WT1 H ATOM 17182 OH2 TIP3 5649 54.323 82.057 61.913 1.00 0.00 WT1 O ATOM 17183 H1 TIP3 5649 54.987 81.368 61.924 1.00 0.00 WT1 H ATOM 17184 H2 TIP3 5649 54.823 82.871 61.849 1.00 0.00 WT1 H ATOM 17185 OH2 TIP3 5650 60.827 34.827 51.305 1.00 0.00 WT1 O ATOM 17186 H1 TIP3 5650 60.079 35.417 51.397 1.00 0.00 WT1 H ATOM 17187 H2 TIP3 5650 60.905 34.683 50.362 1.00 0.00 WT1 H ATOM 17188 OH2 TIP3 5651 82.728 63.280 59.049 1.00 0.00 WT1 O ATOM 17189 H1 TIP3 5651 83.464 63.170 58.447 1.00 0.00 WT1 H ATOM 17190 H2 TIP3 5651 82.684 62.453 59.528 1.00 0.00 WT1 H ATOM 17191 OH2 TIP3 5653 40.583 61.079 49.374 1.00 0.00 WT1 O ATOM 17192 H1 TIP3 5653 40.537 61.829 48.782 1.00 0.00 WT1 H ATOM 17193 H2 TIP3 5653 41.516 60.872 49.427 1.00 0.00 WT1 H ATOM 17194 OH2 TIP3 5654 73.830 93.343 39.014 1.00 0.00 WT1 O ATOM 17195 H1 TIP3 5654 74.140 94.245 38.934 1.00 0.00 WT1 H ATOM 17196 H2 TIP3 5654 73.234 93.227 38.274 1.00 0.00 WT1 H ATOM 17197 OH2 TIP3 5655 38.883 22.324 48.910 1.00 0.00 WT1 O ATOM 17198 H1 TIP3 5655 39.330 22.380 48.065 1.00 0.00 WT1 H ATOM 17199 H2 TIP3 5655 38.716 23.235 49.154 1.00 0.00 WT1 H ATOM 17200 OH2 TIP3 5656 71.295 84.033 -18.341 1.00 0.00 WT1 O ATOM 17201 H1 TIP3 5656 71.854 83.854 -17.585 1.00 0.00 WT1 H ATOM 17202 H2 TIP3 5656 71.169 84.981 -18.327 1.00 0.00 WT1 H ATOM 17203 OH2 TIP3 5657 69.072 42.227 17.982 1.00 0.00 WT1 O ATOM 17204 H1 TIP3 5657 68.743 42.782 18.689 1.00 0.00 WT1 H ATOM 17205 H2 TIP3 5657 68.919 42.736 17.186 1.00 0.00 WT1 H ATOM 17206 OH2 TIP3 5658 36.083 19.757 13.111 1.00 0.00 WT1 O ATOM 17207 H1 TIP3 5658 36.919 20.017 13.497 1.00 0.00 WT1 H ATOM 17208 H2 TIP3 5658 36.305 19.045 12.512 1.00 0.00 WT1 H ATOM 17209 OH2 TIP3 5663 52.371 46.674 -4.703 1.00 0.00 WT1 O ATOM 17210 H1 TIP3 5663 52.688 46.129 -3.982 1.00 0.00 WT1 H ATOM 17211 H2 TIP3 5663 52.364 47.563 -4.347 1.00 0.00 WT1 H ATOM 17212 OH2 TIP3 5664 78.387 24.041 40.244 1.00 0.00 WT1 O ATOM 17213 H1 TIP3 5664 78.966 23.388 39.852 1.00 0.00 WT1 H ATOM 17214 H2 TIP3 5664 77.780 24.277 39.543 1.00 0.00 WT1 H ATOM 17215 OH2 TIP3 5668 60.943 28.446 21.335 1.00 0.00 WT1 O ATOM 17216 H1 TIP3 5668 60.345 28.147 20.650 1.00 0.00 WT1 H ATOM 17217 H2 TIP3 5668 60.496 29.192 21.735 1.00 0.00 WT1 H ATOM 17218 OH2 TIP3 5669 86.079 77.435 -19.810 1.00 0.00 WT1 O ATOM 17219 H1 TIP3 5669 86.945 77.748 -19.551 1.00 0.00 WT1 H ATOM 17220 H2 TIP3 5669 85.533 77.568 -19.034 1.00 0.00 WT1 H ATOM 17221 OH2 TIP3 5670 31.033 48.499 35.536 1.00 0.00 WT1 O ATOM 17222 H1 TIP3 5670 31.122 47.663 35.994 1.00 0.00 WT1 H ATOM 17223 H2 TIP3 5670 31.324 48.315 34.643 1.00 0.00 WT1 H ATOM 17224 OH2 TIP3 5671 42.523 1.966 26.436 1.00 0.00 WT1 O ATOM 17225 H1 TIP3 5671 42.106 2.028 25.577 1.00 0.00 WT1 H ATOM 17226 H2 TIP3 5671 42.596 2.873 26.733 1.00 0.00 WT1 H ATOM 17227 OH2 TIP3 5673 66.574 93.330 40.253 1.00 0.00 WT1 O ATOM 17228 H1 TIP3 5673 66.989 92.658 40.793 1.00 0.00 WT1 H ATOM 17229 H2 TIP3 5673 65.643 93.109 40.269 1.00 0.00 WT1 H ATOM 17230 OH2 TIP3 5674 69.193 85.736 10.320 1.00 0.00 WT1 O ATOM 17231 H1 TIP3 5674 69.120 86.671 10.509 1.00 0.00 WT1 H ATOM 17232 H2 TIP3 5674 69.724 85.692 9.525 1.00 0.00 WT1 H ATOM 17233 OH2 TIP3 5675 77.496 41.444 16.573 1.00 0.00 WT1 O ATOM 17234 H1 TIP3 5675 77.673 40.622 16.115 1.00 0.00 WT1 H ATOM 17235 H2 TIP3 5675 78.183 42.039 16.273 1.00 0.00 WT1 H ATOM 17236 OH2 TIP3 5676 33.608 57.114 -12.999 1.00 0.00 WT1 O ATOM 17237 H1 TIP3 5676 34.237 56.809 -12.345 1.00 0.00 WT1 H ATOM 17238 H2 TIP3 5676 34.099 57.742 -13.529 1.00 0.00 WT1 H ATOM 17239 OH2 TIP3 5678 79.115 86.461 27.420 1.00 0.00 WT1 O ATOM 17240 H1 TIP3 5678 79.041 86.904 26.575 1.00 0.00 WT1 H ATOM 17241 H2 TIP3 5678 78.516 85.718 27.355 1.00 0.00 WT1 H ATOM 17242 OH2 TIP3 5679 33.134 57.948 28.878 1.00 0.00 WT1 O ATOM 17243 H1 TIP3 5679 33.771 58.108 29.575 1.00 0.00 WT1 H ATOM 17244 H2 TIP3 5679 33.525 58.346 28.100 1.00 0.00 WT1 H ATOM 17245 OH2 TIP3 5682 64.721 41.850 28.807 1.00 0.00 WT1 O ATOM 17246 H1 TIP3 5682 64.205 42.302 29.474 1.00 0.00 WT1 H ATOM 17247 H2 TIP3 5682 64.700 42.434 28.049 1.00 0.00 WT1 H ATOM 17248 OH2 TIP3 5683 75.622 81.504 -11.861 1.00 0.00 WT1 O ATOM 17249 H1 TIP3 5683 74.835 81.388 -11.329 1.00 0.00 WT1 H ATOM 17250 H2 TIP3 5683 76.051 82.275 -11.490 1.00 0.00 WT1 H ATOM 17251 OH2 TIP3 5687 52.249 15.991 -4.560 1.00 0.00 WT1 O ATOM 17252 H1 TIP3 5687 51.751 16.765 -4.297 1.00 0.00 WT1 H ATOM 17253 H2 TIP3 5687 53.123 16.134 -4.199 1.00 0.00 WT1 H ATOM 17254 OH2 TIP3 5690 70.432 86.412 21.269 1.00 0.00 WT1 O ATOM 17255 H1 TIP3 5690 70.448 85.700 21.908 1.00 0.00 WT1 H ATOM 17256 H2 TIP3 5690 70.764 87.172 21.747 1.00 0.00 WT1 H ATOM 17257 OH2 TIP3 5691 68.025 3.997 33.112 1.00 0.00 WT1 O ATOM 17258 H1 TIP3 5691 67.510 4.590 33.659 1.00 0.00 WT1 H ATOM 17259 H2 TIP3 5691 68.741 4.538 32.779 1.00 0.00 WT1 H ATOM 17260 OH2 TIP3 5692 34.916 23.846 -11.946 1.00 0.00 WT1 O ATOM 17261 H1 TIP3 5692 34.351 23.739 -12.711 1.00 0.00 WT1 H ATOM 17262 H2 TIP3 5692 34.314 23.854 -11.202 1.00 0.00 WT1 H ATOM 17263 OH2 TIP3 5694 86.773 46.247 37.179 1.00 0.00 WT1 O ATOM 17264 H1 TIP3 5694 86.002 45.810 37.540 1.00 0.00 WT1 H ATOM 17265 H2 TIP3 5694 87.393 46.283 37.908 1.00 0.00 WT1 H ATOM 17266 OH2 TIP3 5695 66.476 67.799 11.062 1.00 0.00 WT1 O ATOM 17267 H1 TIP3 5695 67.055 67.745 11.823 1.00 0.00 WT1 H ATOM 17268 H2 TIP3 5695 66.397 66.895 10.756 1.00 0.00 WT1 H ATOM 17269 OH2 TIP3 5697 31.728 24.911 -13.799 1.00 0.00 WT1 O ATOM 17270 H1 TIP3 5697 32.430 25.326 -14.300 1.00 0.00 WT1 H ATOM 17271 H2 TIP3 5697 32.155 24.186 -13.343 1.00 0.00 WT1 H ATOM 17272 OH2 TIP3 5698 45.933 54.590 26.859 1.00 0.00 WT1 O ATOM 17273 H1 TIP3 5698 46.260 55.416 26.501 1.00 0.00 WT1 H ATOM 17274 H2 TIP3 5698 45.928 53.990 26.113 1.00 0.00 WT1 H ATOM 17275 OH2 TIP3 5700 81.701 24.556 -10.842 1.00 0.00 WT1 O ATOM 17276 H1 TIP3 5700 82.106 24.434 -11.701 1.00 0.00 WT1 H ATOM 17277 H2 TIP3 5700 81.831 25.484 -10.645 1.00 0.00 WT1 H ATOM 17278 OH2 TIP3 5701 60.256 44.680 -1.657 1.00 0.00 WT1 O ATOM 17279 H1 TIP3 5701 60.911 44.087 -1.290 1.00 0.00 WT1 H ATOM 17280 H2 TIP3 5701 60.294 45.455 -1.097 1.00 0.00 WT1 H ATOM 17281 OH2 TIP3 5702 60.053 83.804 -13.073 1.00 0.00 WT1 O ATOM 17282 H1 TIP3 5702 60.151 83.583 -12.147 1.00 0.00 WT1 H ATOM 17283 H2 TIP3 5702 60.578 84.596 -13.187 1.00 0.00 WT1 H ATOM 17284 OH2 TIP3 5704 73.057 34.588 5.704 1.00 0.00 WT1 O ATOM 17285 H1 TIP3 5704 72.261 34.594 6.237 1.00 0.00 WT1 H ATOM 17286 H2 TIP3 5704 73.754 34.354 6.317 1.00 0.00 WT1 H ATOM 17287 OH2 TIP3 5705 53.893 57.679 17.992 1.00 0.00 WT1 O ATOM 17288 H1 TIP3 5705 53.412 57.033 17.475 1.00 0.00 WT1 H ATOM 17289 H2 TIP3 5705 53.482 57.649 18.856 1.00 0.00 WT1 H ATOM 17290 OH2 TIP3 5706 22.472 86.295 20.594 1.00 0.00 WT1 O ATOM 17291 H1 TIP3 5706 22.263 85.548 21.155 1.00 0.00 WT1 H ATOM 17292 H2 TIP3 5706 22.691 86.999 21.204 1.00 0.00 WT1 H ATOM 17293 OH2 TIP3 5709 78.497 79.000 18.328 1.00 0.00 WT1 O ATOM 17294 H1 TIP3 5709 79.415 79.001 18.601 1.00 0.00 WT1 H ATOM 17295 H2 TIP3 5709 78.005 78.864 19.137 1.00 0.00 WT1 H ATOM 17296 OH2 TIP3 5710 59.861 2.818 66.805 1.00 0.00 WT1 O ATOM 17297 H1 TIP3 5710 60.142 1.912 66.934 1.00 0.00 WT1 H ATOM 17298 H2 TIP3 5710 60.380 3.322 67.432 1.00 0.00 WT1 H ATOM 17299 OH2 TIP3 5711 39.062 1.959 8.553 1.00 0.00 WT1 O ATOM 17300 H1 TIP3 5711 39.038 2.845 8.192 1.00 0.00 WT1 H ATOM 17301 H2 TIP3 5711 38.473 1.455 7.991 1.00 0.00 WT1 H ATOM 17302 OH2 TIP3 5713 63.178 1.979 8.427 1.00 0.00 WT1 O ATOM 17303 H1 TIP3 5713 62.623 2.558 7.904 1.00 0.00 WT1 H ATOM 17304 H2 TIP3 5713 63.085 1.120 8.015 1.00 0.00 WT1 H ATOM 17305 OH2 TIP3 5714 22.507 68.714 7.799 1.00 0.00 WT1 O ATOM 17306 H1 TIP3 5714 22.288 67.851 8.150 1.00 0.00 WT1 H ATOM 17307 H2 TIP3 5714 21.797 68.911 7.187 1.00 0.00 WT1 H ATOM 17308 OH2 TIP3 5716 31.508 8.047 20.145 1.00 0.00 WT1 O ATOM 17309 H1 TIP3 5716 32.289 8.551 19.917 1.00 0.00 WT1 H ATOM 17310 H2 TIP3 5716 31.691 7.704 21.020 1.00 0.00 WT1 H ATOM 17311 OH2 TIP3 5717 72.504 19.108 59.443 1.00 0.00 WT1 O ATOM 17312 H1 TIP3 5717 72.018 19.440 58.688 1.00 0.00 WT1 H ATOM 17313 H2 TIP3 5717 72.652 19.879 59.991 1.00 0.00 WT1 H ATOM 17314 OH2 TIP3 5718 21.758 49.036 64.729 1.00 0.00 WT1 O ATOM 17315 H1 TIP3 5718 20.821 49.108 64.549 1.00 0.00 WT1 H ATOM 17316 H2 TIP3 5718 22.064 49.942 64.778 1.00 0.00 WT1 H ATOM 17317 OH2 TIP3 5719 44.975 60.723 11.728 1.00 0.00 WT1 O ATOM 17318 H1 TIP3 5719 44.685 61.591 12.010 1.00 0.00 WT1 H ATOM 17319 H2 TIP3 5719 45.758 60.550 12.250 1.00 0.00 WT1 H ATOM 17320 OH2 TIP3 5720 52.061 13.628 18.668 1.00 0.00 WT1 O ATOM 17321 H1 TIP3 5720 52.146 14.561 18.473 1.00 0.00 WT1 H ATOM 17322 H2 TIP3 5720 52.289 13.554 19.594 1.00 0.00 WT1 H ATOM 17323 OH2 TIP3 5722 20.187 57.062 1.458 1.00 0.00 WT1 O ATOM 17324 H1 TIP3 5722 20.872 56.462 1.751 1.00 0.00 WT1 H ATOM 17325 H2 TIP3 5722 20.480 57.360 0.597 1.00 0.00 WT1 H ATOM 17326 OH2 TIP3 5723 75.669 31.236 61.160 1.00 0.00 WT1 O ATOM 17327 H1 TIP3 5723 75.737 30.316 60.903 1.00 0.00 WT1 H ATOM 17328 H2 TIP3 5723 76.129 31.713 60.470 1.00 0.00 WT1 H ATOM 17329 OH2 TIP3 5726 45.088 28.711 46.647 1.00 0.00 WT1 O ATOM 17330 H1 TIP3 5726 45.909 28.252 46.827 1.00 0.00 WT1 H ATOM 17331 H2 TIP3 5726 45.355 29.605 46.435 1.00 0.00 WT1 H ATOM 17332 OH2 TIP3 5727 78.867 75.440 -8.051 1.00 0.00 WT1 O ATOM 17333 H1 TIP3 5727 78.186 75.947 -7.609 1.00 0.00 WT1 H ATOM 17334 H2 TIP3 5727 79.287 74.941 -7.350 1.00 0.00 WT1 H ATOM 17335 OH2 TIP3 5728 84.854 38.209 25.825 1.00 0.00 WT1 O ATOM 17336 H1 TIP3 5728 84.463 38.797 25.178 1.00 0.00 WT1 H ATOM 17337 H2 TIP3 5728 85.279 38.793 26.454 1.00 0.00 WT1 H ATOM 17338 OH2 TIP3 5729 65.356 60.685 13.003 1.00 0.00 WT1 O ATOM 17339 H1 TIP3 5729 65.631 60.203 13.783 1.00 0.00 WT1 H ATOM 17340 H2 TIP3 5729 64.767 60.085 12.545 1.00 0.00 WT1 H ATOM 17341 OH2 TIP3 5730 85.554 39.643 -15.407 1.00 0.00 WT1 O ATOM 17342 H1 TIP3 5730 85.694 38.732 -15.669 1.00 0.00 WT1 H ATOM 17343 H2 TIP3 5730 86.398 39.922 -15.051 1.00 0.00 WT1 H ATOM 17344 OH2 TIP3 5732 75.627 69.571 7.753 1.00 0.00 WT1 O ATOM 17345 H1 TIP3 5732 75.099 68.889 8.169 1.00 0.00 WT1 H ATOM 17346 H2 TIP3 5732 76.492 69.175 7.649 1.00 0.00 WT1 H ATOM 17347 OH2 TIP3 5733 48.986 95.443 45.398 1.00 0.00 WT1 O ATOM 17348 H1 TIP3 5733 49.645 94.756 45.299 1.00 0.00 WT1 H ATOM 17349 H2 TIP3 5733 49.047 95.952 44.590 1.00 0.00 WT1 H ATOM 17350 OH2 TIP3 5734 33.137 59.089 8.952 1.00 0.00 WT1 O ATOM 17351 H1 TIP3 5734 33.333 58.471 9.657 1.00 0.00 WT1 H ATOM 17352 H2 TIP3 5734 33.897 59.671 8.925 1.00 0.00 WT1 H ATOM 17353 OH2 TIP3 5735 72.108 94.815 66.467 1.00 0.00 WT1 O ATOM 17354 H1 TIP3 5735 72.609 95.317 67.109 1.00 0.00 WT1 H ATOM 17355 H2 TIP3 5735 71.379 94.447 66.965 1.00 0.00 WT1 H ATOM 17356 OH2 TIP3 5736 76.843 15.571 40.578 1.00 0.00 WT1 O ATOM 17357 H1 TIP3 5736 77.242 14.707 40.676 1.00 0.00 WT1 H ATOM 17358 H2 TIP3 5736 76.998 15.804 39.662 1.00 0.00 WT1 H ATOM 17359 OH2 TIP3 5737 67.001 53.694 18.306 1.00 0.00 WT1 O ATOM 17360 H1 TIP3 5737 66.068 53.807 18.487 1.00 0.00 WT1 H ATOM 17361 H2 TIP3 5737 67.078 53.812 17.359 1.00 0.00 WT1 H ATOM 17362 OH2 TIP3 5738 32.379 95.052 34.083 1.00 0.00 WT1 O ATOM 17363 H1 TIP3 5738 31.842 94.471 34.623 1.00 0.00 WT1 H ATOM 17364 H2 TIP3 5738 32.028 95.927 34.249 1.00 0.00 WT1 H ATOM 17365 OH2 TIP3 5741 44.890 85.344 9.660 1.00 0.00 WT1 O ATOM 17366 H1 TIP3 5741 44.283 84.749 10.100 1.00 0.00 WT1 H ATOM 17367 H2 TIP3 5741 45.747 85.126 10.027 1.00 0.00 WT1 H ATOM 17368 OH2 TIP3 5742 69.515 81.436 25.753 1.00 0.00 WT1 O ATOM 17369 H1 TIP3 5742 68.958 81.540 24.981 1.00 0.00 WT1 H ATOM 17370 H2 TIP3 5742 69.056 80.795 26.295 1.00 0.00 WT1 H ATOM 17371 OH2 TIP3 5744 46.789 16.389 -3.374 1.00 0.00 WT1 O ATOM 17372 H1 TIP3 5744 47.407 15.730 -3.691 1.00 0.00 WT1 H ATOM 17373 H2 TIP3 5744 46.118 15.885 -2.913 1.00 0.00 WT1 H ATOM 17374 OH2 TIP3 5746 49.936 32.880 61.563 1.00 0.00 WT1 O ATOM 17375 H1 TIP3 5746 49.179 32.308 61.440 1.00 0.00 WT1 H ATOM 17376 H2 TIP3 5746 50.578 32.569 60.925 1.00 0.00 WT1 H ATOM 17377 OH2 TIP3 5748 62.250 32.682 -9.441 1.00 0.00 WT1 O ATOM 17378 H1 TIP3 5748 62.932 33.206 -9.021 1.00 0.00 WT1 H ATOM 17379 H2 TIP3 5748 61.960 32.075 -8.760 1.00 0.00 WT1 H ATOM 17380 OH2 TIP3 5749 58.407 82.151 54.277 1.00 0.00 WT1 O ATOM 17381 H1 TIP3 5749 57.518 81.817 54.393 1.00 0.00 WT1 H ATOM 17382 H2 TIP3 5749 58.290 83.075 54.058 1.00 0.00 WT1 H ATOM 17383 OH2 TIP3 5750 64.060 73.081 17.807 1.00 0.00 WT1 O ATOM 17384 H1 TIP3 5750 63.885 72.147 17.697 1.00 0.00 WT1 H ATOM 17385 H2 TIP3 5750 63.548 73.504 17.117 1.00 0.00 WT1 H ATOM 17386 OH2 TIP3 5752 33.922 65.891 49.574 1.00 0.00 WT1 O ATOM 17387 H1 TIP3 5752 33.638 64.993 49.400 1.00 0.00 WT1 H ATOM 17388 H2 TIP3 5752 33.614 66.390 48.817 1.00 0.00 WT1 H ATOM 17389 OH2 TIP3 5753 28.590 72.886 28.777 1.00 0.00 WT1 O ATOM 17390 H1 TIP3 5753 28.497 73.834 28.688 1.00 0.00 WT1 H ATOM 17391 H2 TIP3 5753 28.208 72.686 29.632 1.00 0.00 WT1 H ATOM 17392 OH2 TIP3 5754 23.141 32.573 34.470 1.00 0.00 WT1 O ATOM 17393 H1 TIP3 5754 22.948 33.237 33.809 1.00 0.00 WT1 H ATOM 17394 H2 TIP3 5754 23.967 32.182 34.184 1.00 0.00 WT1 H ATOM 17395 OH2 TIP3 5755 63.520 18.023 60.674 1.00 0.00 WT1 O ATOM 17396 H1 TIP3 5755 63.330 18.944 60.494 1.00 0.00 WT1 H ATOM 17397 H2 TIP3 5755 63.122 17.859 61.529 1.00 0.00 WT1 H ATOM 17398 OH2 TIP3 5756 41.260 95.929 3.867 1.00 0.00 WT1 O ATOM 17399 H1 TIP3 5756 42.090 96.191 4.265 1.00 0.00 WT1 H ATOM 17400 H2 TIP3 5756 40.599 96.441 4.332 1.00 0.00 WT1 H ATOM 17401 OH2 TIP3 5757 33.629 82.677 47.146 1.00 0.00 WT1 O ATOM 17402 H1 TIP3 5757 33.618 81.722 47.079 1.00 0.00 WT1 H ATOM 17403 H2 TIP3 5757 34.394 82.945 46.638 1.00 0.00 WT1 H ATOM 17404 OH2 TIP3 5758 48.192 8.294 -14.253 1.00 0.00 WT1 O ATOM 17405 H1 TIP3 5758 48.428 8.215 -13.329 1.00 0.00 WT1 H ATOM 17406 H2 TIP3 5758 47.363 8.774 -14.248 1.00 0.00 WT1 H ATOM 17407 OH2 TIP3 5759 85.074 33.806 41.732 1.00 0.00 WT1 O ATOM 17408 H1 TIP3 5759 84.982 33.502 40.829 1.00 0.00 WT1 H ATOM 17409 H2 TIP3 5759 85.736 33.229 42.113 1.00 0.00 WT1 H ATOM 17410 OH2 TIP3 5760 37.729 81.884 34.377 1.00 0.00 WT1 O ATOM 17411 H1 TIP3 5760 37.944 81.098 33.876 1.00 0.00 WT1 H ATOM 17412 H2 TIP3 5760 36.952 81.642 34.883 1.00 0.00 WT1 H ATOM 17413 OH2 TIP3 5761 22.847 61.962 -0.891 1.00 0.00 WT1 O ATOM 17414 H1 TIP3 5761 22.845 61.005 -0.872 1.00 0.00 WT1 H ATOM 17415 H2 TIP3 5761 23.564 62.188 -1.483 1.00 0.00 WT1 H ATOM 17416 OH2 TIP3 5762 60.886 10.038 20.661 1.00 0.00 WT1 O ATOM 17417 H1 TIP3 5762 60.472 10.885 20.494 1.00 0.00 WT1 H ATOM 17418 H2 TIP3 5762 61.018 9.660 19.791 1.00 0.00 WT1 H ATOM 17419 OH2 TIP3 5763 76.262 62.725 47.992 1.00 0.00 WT1 O ATOM 17420 H1 TIP3 5763 76.633 62.590 48.863 1.00 0.00 WT1 H ATOM 17421 H2 TIP3 5763 75.835 63.580 48.043 1.00 0.00 WT1 H ATOM 17422 OH2 TIP3 5764 68.664 38.918 66.786 1.00 0.00 WT1 O ATOM 17423 H1 TIP3 5764 68.488 37.982 66.875 1.00 0.00 WT1 H ATOM 17424 H2 TIP3 5764 69.528 39.039 67.180 1.00 0.00 WT1 H ATOM 17425 OH2 TIP3 5765 54.329 17.789 -16.809 1.00 0.00 WT1 O ATOM 17426 H1 TIP3 5765 54.962 18.230 -16.243 1.00 0.00 WT1 H ATOM 17427 H2 TIP3 5765 54.809 17.044 -17.171 1.00 0.00 WT1 H ATOM 17428 OH2 TIP3 5767 75.053 84.319 19.988 1.00 0.00 WT1 O ATOM 17429 H1 TIP3 5767 74.378 83.966 19.408 1.00 0.00 WT1 H ATOM 17430 H2 TIP3 5767 75.759 83.673 19.956 1.00 0.00 WT1 H ATOM 17431 OH2 TIP3 5768 38.930 70.321 21.038 1.00 0.00 WT1 O ATOM 17432 H1 TIP3 5768 39.560 69.813 21.549 1.00 0.00 WT1 H ATOM 17433 H2 TIP3 5768 39.083 70.051 20.132 1.00 0.00 WT1 H ATOM 17434 OH2 TIP3 5769 68.710 67.587 24.146 1.00 0.00 WT1 O ATOM 17435 H1 TIP3 5769 69.255 68.085 23.538 1.00 0.00 WT1 H ATOM 17436 H2 TIP3 5769 67.812 67.771 23.869 1.00 0.00 WT1 H ATOM 17437 OH2 TIP3 5772 42.656 53.705 43.994 1.00 0.00 WT1 O ATOM 17438 H1 TIP3 5772 42.882 52.872 43.579 1.00 0.00 WT1 H ATOM 17439 H2 TIP3 5772 42.899 54.368 43.347 1.00 0.00 WT1 H ATOM 17440 OH2 TIP3 5773 48.134 70.727 6.787 1.00 0.00 WT1 O ATOM 17441 H1 TIP3 5773 48.011 70.249 7.607 1.00 0.00 WT1 H ATOM 17442 H2 TIP3 5773 48.854 71.331 6.967 1.00 0.00 WT1 H ATOM 17443 OH2 TIP3 5774 46.783 56.268 -10.793 1.00 0.00 WT1 O ATOM 17444 H1 TIP3 5774 46.346 56.026 -9.976 1.00 0.00 WT1 H ATOM 17445 H2 TIP3 5774 47.717 56.215 -10.590 1.00 0.00 WT1 H ATOM 17446 OH2 TIP3 5775 80.989 76.763 -1.839 1.00 0.00 WT1 O ATOM 17447 H1 TIP3 5775 80.486 76.585 -2.633 1.00 0.00 WT1 H ATOM 17448 H2 TIP3 5775 81.863 76.421 -2.027 1.00 0.00 WT1 H ATOM 17449 OH2 TIP3 5776 89.512 49.657 65.055 1.00 0.00 WT1 O ATOM 17450 H1 TIP3 5776 89.068 50.294 64.495 1.00 0.00 WT1 H ATOM 17451 H2 TIP3 5776 88.879 49.463 65.746 1.00 0.00 WT1 H ATOM 17452 OH2 TIP3 5777 25.921 0.616 -4.382 1.00 0.00 WT1 O ATOM 17453 H1 TIP3 5777 25.541 0.984 -5.180 1.00 0.00 WT1 H ATOM 17454 H2 TIP3 5777 26.149 1.379 -3.851 1.00 0.00 WT1 H ATOM 17455 OH2 TIP3 5778 85.586 35.103 48.446 1.00 0.00 WT1 O ATOM 17456 H1 TIP3 5778 84.715 34.833 48.155 1.00 0.00 WT1 H ATOM 17457 H2 TIP3 5778 86.181 34.748 47.786 1.00 0.00 WT1 H ATOM 17458 OH2 TIP3 5779 23.025 68.387 -1.962 1.00 0.00 WT1 O ATOM 17459 H1 TIP3 5779 23.220 68.520 -1.035 1.00 0.00 WT1 H ATOM 17460 H2 TIP3 5779 23.170 67.452 -2.106 1.00 0.00 WT1 H ATOM 17461 OH2 TIP3 5780 57.367 16.257 18.918 1.00 0.00 WT1 O ATOM 17462 H1 TIP3 5780 58.027 16.943 18.811 1.00 0.00 WT1 H ATOM 17463 H2 TIP3 5780 56.687 16.661 19.457 1.00 0.00 WT1 H ATOM 17464 OH2 TIP3 5781 24.432 93.280 -1.308 1.00 0.00 WT1 O ATOM 17465 H1 TIP3 5781 23.928 94.064 -1.091 1.00 0.00 WT1 H ATOM 17466 H2 TIP3 5781 24.035 92.586 -0.781 1.00 0.00 WT1 H ATOM 17467 OH2 TIP3 5782 26.294 67.474 16.571 1.00 0.00 WT1 O ATOM 17468 H1 TIP3 5782 26.989 68.121 16.449 1.00 0.00 WT1 H ATOM 17469 H2 TIP3 5782 26.633 66.880 17.241 1.00 0.00 WT1 H ATOM 17470 OH2 TIP3 5783 20.174 72.894 62.495 1.00 0.00 WT1 O ATOM 17471 H1 TIP3 5783 20.752 73.265 63.162 1.00 0.00 WT1 H ATOM 17472 H2 TIP3 5783 20.264 71.947 62.601 1.00 0.00 WT1 H ATOM 17473 OH2 TIP3 5784 41.177 11.369 47.582 1.00 0.00 WT1 O ATOM 17474 H1 TIP3 5784 41.630 11.824 46.872 1.00 0.00 WT1 H ATOM 17475 H2 TIP3 5784 41.880 11.011 48.125 1.00 0.00 WT1 H ATOM 17476 OH2 TIP3 5785 44.005 44.638 51.756 1.00 0.00 WT1 O ATOM 17477 H1 TIP3 5785 44.471 44.994 52.513 1.00 0.00 WT1 H ATOM 17478 H2 TIP3 5785 43.927 45.378 51.153 1.00 0.00 WT1 H ATOM 17479 OH2 TIP3 5786 82.787 79.625 21.769 1.00 0.00 WT1 O ATOM 17480 H1 TIP3 5786 83.520 80.068 22.196 1.00 0.00 WT1 H ATOM 17481 H2 TIP3 5786 82.014 79.925 22.246 1.00 0.00 WT1 H ATOM 17482 OH2 TIP3 5787 60.823 14.571 65.263 1.00 0.00 WT1 O ATOM 17483 H1 TIP3 5787 59.984 14.113 65.220 1.00 0.00 WT1 H ATOM 17484 H2 TIP3 5787 60.588 15.493 65.375 1.00 0.00 WT1 H ATOM 17485 OH2 TIP3 5788 89.632 17.347 56.302 1.00 0.00 WT1 O ATOM 17486 H1 TIP3 5788 89.673 18.173 55.820 1.00 0.00 WT1 H ATOM 17487 H2 TIP3 5788 88.993 17.505 56.996 1.00 0.00 WT1 H ATOM 17488 OH2 TIP3 5789 89.500 95.523 16.572 1.00 0.00 WT1 O ATOM 17489 H1 TIP3 5789 88.803 95.525 15.916 1.00 0.00 WT1 H ATOM 17490 H2 TIP3 5789 90.244 95.934 16.133 1.00 0.00 WT1 H ATOM 17491 OH2 TIP3 5790 55.271 95.498 11.661 1.00 0.00 WT1 O ATOM 17492 H1 TIP3 5790 55.092 95.769 10.761 1.00 0.00 WT1 H ATOM 17493 H2 TIP3 5790 55.439 96.315 12.130 1.00 0.00 WT1 H ATOM 17494 OH2 TIP3 5791 25.727 91.236 45.977 1.00 0.00 WT1 O ATOM 17495 H1 TIP3 5791 25.744 90.361 45.589 1.00 0.00 WT1 H ATOM 17496 H2 TIP3 5791 26.633 91.541 45.923 1.00 0.00 WT1 H ATOM 17497 OH2 TIP3 5792 28.299 25.116 64.890 1.00 0.00 WT1 O ATOM 17498 H1 TIP3 5792 28.741 24.597 65.562 1.00 0.00 WT1 H ATOM 17499 H2 TIP3 5792 28.822 24.979 64.100 1.00 0.00 WT1 H ATOM 17500 OH2 TIP3 5793 73.530 36.678 -11.741 1.00 0.00 WT1 O ATOM 17501 H1 TIP3 5793 73.190 36.281 -10.939 1.00 0.00 WT1 H ATOM 17502 H2 TIP3 5793 74.445 36.399 -11.778 1.00 0.00 WT1 H ATOM 17503 OH2 TIP3 5794 55.544 84.635 6.123 1.00 0.00 WT1 O ATOM 17504 H1 TIP3 5794 54.814 85.150 6.467 1.00 0.00 WT1 H ATOM 17505 H2 TIP3 5794 55.554 83.844 6.661 1.00 0.00 WT1 H ATOM 17506 OH2 TIP3 5795 82.898 92.271 14.864 1.00 0.00 WT1 O ATOM 17507 H1 TIP3 5795 82.984 91.906 15.745 1.00 0.00 WT1 H ATOM 17508 H2 TIP3 5795 82.698 93.196 15.007 1.00 0.00 WT1 H ATOM 17509 OH2 TIP3 5796 63.450 1.663 19.749 1.00 0.00 WT1 O ATOM 17510 H1 TIP3 5796 64.382 1.867 19.826 1.00 0.00 WT1 H ATOM 17511 H2 TIP3 5796 63.302 0.970 20.393 1.00 0.00 WT1 H ATOM 17512 OH2 TIP3 5797 44.971 77.249 18.472 1.00 0.00 WT1 O ATOM 17513 H1 TIP3 5797 44.666 77.062 17.584 1.00 0.00 WT1 H ATOM 17514 H2 TIP3 5797 44.299 76.871 19.040 1.00 0.00 WT1 H ATOM 17515 OH2 TIP3 5798 88.745 55.645 36.945 1.00 0.00 WT1 O ATOM 17516 H1 TIP3 5798 88.668 54.779 37.347 1.00 0.00 WT1 H ATOM 17517 H2 TIP3 5798 89.272 56.151 37.564 1.00 0.00 WT1 H ATOM 17518 OH2 TIP3 5799 25.284 84.875 3.396 1.00 0.00 WT1 O ATOM 17519 H1 TIP3 5799 26.151 85.249 3.549 1.00 0.00 WT1 H ATOM 17520 H2 TIP3 5799 25.457 84.034 2.971 1.00 0.00 WT1 H ATOM 17521 OH2 TIP3 5800 58.104 84.918 -4.238 1.00 0.00 WT1 O ATOM 17522 H1 TIP3 5800 58.313 84.237 -4.877 1.00 0.00 WT1 H ATOM 17523 H2 TIP3 5800 57.964 84.444 -3.418 1.00 0.00 WT1 H ATOM 17524 OH2 TIP3 5801 67.073 27.301 38.200 1.00 0.00 WT1 O ATOM 17525 H1 TIP3 5801 66.769 27.513 39.082 1.00 0.00 WT1 H ATOM 17526 H2 TIP3 5801 67.635 26.535 38.317 1.00 0.00 WT1 H ATOM 17527 OH2 TIP3 5802 45.774 11.768 6.232 1.00 0.00 WT1 O ATOM 17528 H1 TIP3 5802 45.696 12.400 6.947 1.00 0.00 WT1 H ATOM 17529 H2 TIP3 5802 45.683 12.293 5.437 1.00 0.00 WT1 H ATOM 17530 OH2 TIP3 5803 54.220 63.863 11.690 1.00 0.00 WT1 O ATOM 17531 H1 TIP3 5803 54.965 64.013 12.272 1.00 0.00 WT1 H ATOM 17532 H2 TIP3 5803 54.524 64.155 10.830 1.00 0.00 WT1 H ATOM 17533 OH2 TIP3 5804 70.421 38.424 -4.090 1.00 0.00 WT1 O ATOM 17534 H1 TIP3 5804 70.888 39.229 -3.867 1.00 0.00 WT1 H ATOM 17535 H2 TIP3 5804 69.510 38.697 -4.199 1.00 0.00 WT1 H ATOM 17536 OH2 TIP3 5805 65.920 86.351 65.862 1.00 0.00 WT1 O ATOM 17537 H1 TIP3 5805 65.921 87.076 65.237 1.00 0.00 WT1 H ATOM 17538 H2 TIP3 5805 65.320 85.709 65.483 1.00 0.00 WT1 H ATOM 17539 OH2 TIP3 5806 35.336 90.408 -6.111 1.00 0.00 WT1 O ATOM 17540 H1 TIP3 5806 35.554 89.925 -5.314 1.00 0.00 WT1 H ATOM 17541 H2 TIP3 5806 36.144 90.399 -6.625 1.00 0.00 WT1 H ATOM 17542 OH2 TIP3 5807 58.228 94.813 26.771 1.00 0.00 WT1 O ATOM 17543 H1 TIP3 5807 58.577 95.685 26.585 1.00 0.00 WT1 H ATOM 17544 H2 TIP3 5807 58.463 94.291 26.004 1.00 0.00 WT1 H ATOM 17545 OH2 TIP3 5808 29.873 1.164 2.108 1.00 0.00 WT1 O ATOM 17546 H1 TIP3 5808 30.268 2.035 2.116 1.00 0.00 WT1 H ATOM 17547 H2 TIP3 5808 30.103 0.804 1.252 1.00 0.00 WT1 H ATOM 17548 OH2 TIP3 5809 59.261 5.678 21.691 1.00 0.00 WT1 O ATOM 17549 H1 TIP3 5809 59.924 5.762 21.004 1.00 0.00 WT1 H ATOM 17550 H2 TIP3 5809 59.022 6.580 21.905 1.00 0.00 WT1 H ATOM 17551 OH2 TIP3 5810 59.743 89.873 -12.234 1.00 0.00 WT1 O ATOM 17552 H1 TIP3 5810 59.029 89.860 -12.870 1.00 0.00 WT1 H ATOM 17553 H2 TIP3 5810 59.797 90.786 -11.952 1.00 0.00 WT1 H ATOM 17554 OH2 TIP3 5813 56.958 0.108 1.020 1.00 0.00 WT1 O ATOM 17555 H1 TIP3 5813 56.700 -0.210 1.885 1.00 0.00 WT1 H ATOM 17556 H2 TIP3 5813 56.491 0.937 0.921 1.00 0.00 WT1 H ATOM 17557 OH2 TIP3 5814 80.881 58.070 54.622 1.00 0.00 WT1 O ATOM 17558 H1 TIP3 5814 80.695 57.906 53.697 1.00 0.00 WT1 H ATOM 17559 H2 TIP3 5814 80.742 57.224 55.047 1.00 0.00 WT1 H ATOM 17560 OH2 TIP3 5815 88.906 33.230 44.821 1.00 0.00 WT1 O ATOM 17561 H1 TIP3 5815 88.499 33.721 45.535 1.00 0.00 WT1 H ATOM 17562 H2 TIP3 5815 89.170 32.401 45.220 1.00 0.00 WT1 H ATOM 17563 OH2 TIP3 5816 71.070 31.863 36.308 1.00 0.00 WT1 O ATOM 17564 H1 TIP3 5816 71.352 32.701 36.674 1.00 0.00 WT1 H ATOM 17565 H2 TIP3 5816 71.503 31.815 35.456 1.00 0.00 WT1 H ATOM 17566 OH2 TIP3 5817 83.420 87.400 61.712 1.00 0.00 WT1 O ATOM 17567 H1 TIP3 5817 83.806 86.535 61.576 1.00 0.00 WT1 H ATOM 17568 H2 TIP3 5817 82.498 87.224 61.903 1.00 0.00 WT1 H ATOM 17569 OH2 TIP3 5818 42.243 50.426 -11.772 1.00 0.00 WT1 O ATOM 17570 H1 TIP3 5818 42.929 50.592 -11.125 1.00 0.00 WT1 H ATOM 17571 H2 TIP3 5818 42.450 51.015 -12.497 1.00 0.00 WT1 H ATOM 17572 OH2 TIP3 5819 34.081 5.153 1.246 1.00 0.00 WT1 O ATOM 17573 H1 TIP3 5819 33.648 5.779 1.827 1.00 0.00 WT1 H ATOM 17574 H2 TIP3 5819 34.697 4.688 1.811 1.00 0.00 WT1 H ATOM 17575 OH2 TIP3 5820 34.345 90.166 2.740 1.00 0.00 WT1 O ATOM 17576 H1 TIP3 5820 34.583 90.868 3.345 1.00 0.00 WT1 H ATOM 17577 H2 TIP3 5820 33.657 89.680 3.194 1.00 0.00 WT1 H ATOM 17578 OH2 TIP3 5821 65.950 0.986 -18.413 1.00 0.00 WT1 O ATOM 17579 H1 TIP3 5821 66.575 1.522 -17.925 1.00 0.00 WT1 H ATOM 17580 H2 TIP3 5821 65.153 1.007 -17.884 1.00 0.00 WT1 H ATOM 17581 OH2 TIP3 5822 65.833 72.293 -18.576 1.00 0.00 WT1 O ATOM 17582 H1 TIP3 5822 65.484 72.738 -19.348 1.00 0.00 WT1 H ATOM 17583 H2 TIP3 5822 66.754 72.551 -18.547 1.00 0.00 WT1 H ATOM 17584 OH2 TIP3 5823 24.201 36.780 -12.056 1.00 0.00 WT1 O ATOM 17585 H1 TIP3 5823 24.587 37.656 -12.044 1.00 0.00 WT1 H ATOM 17586 H2 TIP3 5823 23.591 36.797 -12.794 1.00 0.00 WT1 H ATOM 17587 OH2 TIP3 5824 64.446 57.914 -12.846 1.00 0.00 WT1 O ATOM 17588 H1 TIP3 5824 63.782 58.590 -12.711 1.00 0.00 WT1 H ATOM 17589 H2 TIP3 5824 65.273 58.342 -12.623 1.00 0.00 WT1 H ATOM 17590 OH2 TIP3 5826 71.289 59.339 31.484 1.00 0.00 WT1 O ATOM 17591 H1 TIP3 5826 70.967 59.595 32.349 1.00 0.00 WT1 H ATOM 17592 H2 TIP3 5826 70.497 59.196 30.966 1.00 0.00 WT1 H ATOM 17593 OH2 TIP3 5827 84.994 3.030 51.300 1.00 0.00 WT1 O ATOM 17594 H1 TIP3 5827 84.360 3.464 50.729 1.00 0.00 WT1 H ATOM 17595 H2 TIP3 5827 84.590 3.052 52.168 1.00 0.00 WT1 H ATOM 17596 OH2 TIP3 5828 27.417 95.502 -15.428 1.00 0.00 WT1 O ATOM 17597 H1 TIP3 5828 26.625 94.974 -15.330 1.00 0.00 WT1 H ATOM 17598 H2 TIP3 5828 28.084 95.028 -14.931 1.00 0.00 WT1 H ATOM 17599 OH2 TIP3 5830 56.527 73.825 26.824 1.00 0.00 WT1 O ATOM 17600 H1 TIP3 5830 56.764 72.992 26.417 1.00 0.00 WT1 H ATOM 17601 H2 TIP3 5830 56.065 74.304 26.136 1.00 0.00 WT1 H ATOM 17602 OH2 TIP3 5831 88.778 51.299 27.773 1.00 0.00 WT1 O ATOM 17603 H1 TIP3 5831 89.060 52.169 27.492 1.00 0.00 WT1 H ATOM 17604 H2 TIP3 5831 87.822 51.333 27.737 1.00 0.00 WT1 H ATOM 17605 OH2 TIP3 5832 49.000 38.521 -19.114 1.00 0.00 WT1 O ATOM 17606 H1 TIP3 5832 49.027 39.477 -19.135 1.00 0.00 WT1 H ATOM 17607 H2 TIP3 5832 49.700 38.275 -18.509 1.00 0.00 WT1 H ATOM 17608 OH2 TIP3 5833 41.323 68.839 52.528 1.00 0.00 WT1 O ATOM 17609 H1 TIP3 5833 41.694 69.244 51.744 1.00 0.00 WT1 H ATOM 17610 H2 TIP3 5833 41.990 68.970 53.203 1.00 0.00 WT1 H ATOM 17611 OH2 TIP3 5834 47.728 30.031 56.674 1.00 0.00 WT1 O ATOM 17612 H1 TIP3 5834 47.117 30.660 56.290 1.00 0.00 WT1 H ATOM 17613 H2 TIP3 5834 48.138 30.505 57.397 1.00 0.00 WT1 H ATOM 17614 OH2 TIP3 5835 52.314 91.986 14.048 1.00 0.00 WT1 O ATOM 17615 H1 TIP3 5835 53.217 91.709 13.889 1.00 0.00 WT1 H ATOM 17616 H2 TIP3 5835 51.829 91.168 14.158 1.00 0.00 WT1 H ATOM 17617 OH2 TIP3 5836 46.938 75.321 31.040 1.00 0.00 WT1 O ATOM 17618 H1 TIP3 5836 46.918 74.364 31.031 1.00 0.00 WT1 H ATOM 17619 H2 TIP3 5836 47.816 75.540 31.352 1.00 0.00 WT1 H ATOM 17620 OH2 TIP3 5837 38.572 64.902 -3.641 1.00 0.00 WT1 O ATOM 17621 H1 TIP3 5837 38.401 65.320 -2.797 1.00 0.00 WT1 H ATOM 17622 H2 TIP3 5837 37.907 65.263 -4.227 1.00 0.00 WT1 H ATOM 17623 OH2 TIP3 5838 82.107 73.683 -0.181 1.00 0.00 WT1 O ATOM 17624 H1 TIP3 5838 81.324 73.307 0.222 1.00 0.00 WT1 H ATOM 17625 H2 TIP3 5838 82.124 73.314 -1.063 1.00 0.00 WT1 H ATOM 17626 OH2 TIP3 5839 32.212 27.382 22.230 1.00 0.00 WT1 O ATOM 17627 H1 TIP3 5839 32.223 28.069 22.896 1.00 0.00 WT1 H ATOM 17628 H2 TIP3 5839 32.166 27.854 21.399 1.00 0.00 WT1 H ATOM 17629 OH2 TIP3 5840 89.507 55.801 6.348 1.00 0.00 WT1 O ATOM 17630 H1 TIP3 5840 88.895 55.669 7.072 1.00 0.00 WT1 H ATOM 17631 H2 TIP3 5840 88.948 55.914 5.579 1.00 0.00 WT1 H ATOM 17632 OH2 TIP3 5841 81.674 7.548 50.172 1.00 0.00 WT1 O ATOM 17633 H1 TIP3 5841 81.015 8.240 50.111 1.00 0.00 WT1 H ATOM 17634 H2 TIP3 5841 82.210 7.658 49.386 1.00 0.00 WT1 H ATOM 17635 OH2 TIP3 5842 57.106 4.156 -2.135 1.00 0.00 WT1 O ATOM 17636 H1 TIP3 5842 56.277 4.525 -1.831 1.00 0.00 WT1 H ATOM 17637 H2 TIP3 5842 57.698 4.249 -1.389 1.00 0.00 WT1 H ATOM 17638 OH2 TIP3 5843 71.762 79.573 57.344 1.00 0.00 WT1 O ATOM 17639 H1 TIP3 5843 71.725 78.742 56.869 1.00 0.00 WT1 H ATOM 17640 H2 TIP3 5843 72.001 79.328 58.238 1.00 0.00 WT1 H ATOM 17641 OH2 TIP3 5844 61.951 91.761 -1.359 1.00 0.00 WT1 O ATOM 17642 H1 TIP3 5844 61.650 90.852 -1.357 1.00 0.00 WT1 H ATOM 17643 H2 TIP3 5844 61.303 92.227 -1.889 1.00 0.00 WT1 H ATOM 17644 OH2 TIP3 5845 22.108 23.220 3.891 1.00 0.00 WT1 O ATOM 17645 H1 TIP3 5845 21.793 23.953 3.362 1.00 0.00 WT1 H ATOM 17646 H2 TIP3 5845 22.860 23.573 4.367 1.00 0.00 WT1 H ATOM 17647 OH2 TIP3 5846 79.114 32.367 10.772 1.00 0.00 WT1 O ATOM 17648 H1 TIP3 5846 78.480 31.723 11.088 1.00 0.00 WT1 H ATOM 17649 H2 TIP3 5846 79.803 32.370 11.436 1.00 0.00 WT1 H ATOM 17650 OH2 TIP3 5847 53.165 35.983 45.849 1.00 0.00 WT1 O ATOM 17651 H1 TIP3 5847 54.113 36.029 45.972 1.00 0.00 WT1 H ATOM 17652 H2 TIP3 5847 53.034 35.235 45.267 1.00 0.00 WT1 H ATOM 17653 OH2 TIP3 5848 67.804 24.262 63.427 1.00 0.00 WT1 O ATOM 17654 H1 TIP3 5848 67.100 24.597 62.872 1.00 0.00 WT1 H ATOM 17655 H2 TIP3 5848 68.006 24.985 64.021 1.00 0.00 WT1 H ATOM 17656 OH2 TIP3 5850 79.188 72.513 -0.511 1.00 0.00 WT1 O ATOM 17657 H1 TIP3 5850 78.347 72.919 -0.305 1.00 0.00 WT1 H ATOM 17658 H2 TIP3 5850 78.970 71.608 -0.737 1.00 0.00 WT1 H ATOM 17659 OH2 TIP3 5851 23.722 46.105 35.560 1.00 0.00 WT1 O ATOM 17660 H1 TIP3 5851 24.329 46.844 35.608 1.00 0.00 WT1 H ATOM 17661 H2 TIP3 5851 24.067 45.558 34.855 1.00 0.00 WT1 H ATOM 17662 OH2 TIP3 5852 32.620 6.702 -7.696 1.00 0.00 WT1 O ATOM 17663 H1 TIP3 5852 32.173 7.194 -7.008 1.00 0.00 WT1 H ATOM 17664 H2 TIP3 5852 31.919 6.421 -8.284 1.00 0.00 WT1 H ATOM 17665 OH2 TIP3 5853 87.243 40.610 46.306 1.00 0.00 WT1 O ATOM 17666 H1 TIP3 5853 86.820 41.236 46.893 1.00 0.00 WT1 H ATOM 17667 H2 TIP3 5853 88.157 40.596 46.588 1.00 0.00 WT1 H ATOM 17668 OH2 TIP3 5854 69.212 72.982 31.878 1.00 0.00 WT1 O ATOM 17669 H1 TIP3 5854 69.990 73.469 31.606 1.00 0.00 WT1 H ATOM 17670 H2 TIP3 5854 68.578 73.132 31.176 1.00 0.00 WT1 H ATOM 17671 OH2 TIP3 5855 37.957 83.555 -13.427 1.00 0.00 WT1 O ATOM 17672 H1 TIP3 5855 38.332 83.513 -12.548 1.00 0.00 WT1 H ATOM 17673 H2 TIP3 5855 37.241 84.186 -13.353 1.00 0.00 WT1 H ATOM 17674 OH2 TIP3 5856 88.200 54.452 34.040 1.00 0.00 WT1 O ATOM 17675 H1 TIP3 5856 88.701 54.425 34.855 1.00 0.00 WT1 H ATOM 17676 H2 TIP3 5856 87.316 54.184 34.293 1.00 0.00 WT1 H ATOM 17677 OH2 TIP3 5857 41.467 68.741 55.620 1.00 0.00 WT1 O ATOM 17678 H1 TIP3 5857 42.152 69.386 55.796 1.00 0.00 WT1 H ATOM 17679 H2 TIP3 5857 41.890 68.089 55.061 1.00 0.00 WT1 H ATOM 17680 OH2 TIP3 5858 28.420 83.273 30.023 1.00 0.00 WT1 O ATOM 17681 H1 TIP3 5858 28.480 84.127 30.450 1.00 0.00 WT1 H ATOM 17682 H2 TIP3 5858 28.182 82.669 30.727 1.00 0.00 WT1 H ATOM 17683 OH2 TIP3 5859 32.008 88.621 0.482 1.00 0.00 WT1 O ATOM 17684 H1 TIP3 5859 31.211 88.930 0.912 1.00 0.00 WT1 H ATOM 17685 H2 TIP3 5859 32.271 87.852 0.987 1.00 0.00 WT1 H ATOM 17686 OH2 TIP3 5860 68.478 9.066 39.391 1.00 0.00 WT1 O ATOM 17687 H1 TIP3 5860 69.178 9.705 39.525 1.00 0.00 WT1 H ATOM 17688 H2 TIP3 5860 68.783 8.525 38.662 1.00 0.00 WT1 H ATOM 17689 OH2 TIP3 5861 30.935 4.677 29.703 1.00 0.00 WT1 O ATOM 17690 H1 TIP3 5861 30.309 3.961 29.807 1.00 0.00 WT1 H ATOM 17691 H2 TIP3 5861 30.405 5.418 29.409 1.00 0.00 WT1 H ATOM 17692 OH2 TIP3 5862 26.407 59.414 6.571 1.00 0.00 WT1 O ATOM 17693 H1 TIP3 5862 27.025 59.850 7.158 1.00 0.00 WT1 H ATOM 17694 H2 TIP3 5862 25.613 59.948 6.620 1.00 0.00 WT1 H ATOM 17695 OH2 TIP3 5863 61.650 87.604 2.426 1.00 0.00 WT1 O ATOM 17696 H1 TIP3 5863 61.147 88.418 2.454 1.00 0.00 WT1 H ATOM 17697 H2 TIP3 5863 61.264 87.059 3.112 1.00 0.00 WT1 H ATOM 17698 OH2 TIP3 5865 48.507 95.868 32.064 1.00 0.00 WT1 O ATOM 17699 H1 TIP3 5865 49.275 96.229 31.622 1.00 0.00 WT1 H ATOM 17700 H2 TIP3 5865 48.501 94.943 31.819 1.00 0.00 WT1 H ATOM 17701 OH2 TIP3 5866 43.848 38.504 57.863 1.00 0.00 WT1 O ATOM 17702 H1 TIP3 5866 44.281 39.335 57.665 1.00 0.00 WT1 H ATOM 17703 H2 TIP3 5866 43.025 38.540 57.377 1.00 0.00 WT1 H ATOM 17704 OH2 TIP3 5867 81.278 89.349 27.330 1.00 0.00 WT1 O ATOM 17705 H1 TIP3 5867 80.414 89.052 27.616 1.00 0.00 WT1 H ATOM 17706 H2 TIP3 5867 81.765 88.543 27.161 1.00 0.00 WT1 H ATOM 17707 OH2 TIP3 5868 36.886 96.304 57.503 1.00 0.00 WT1 O ATOM 17708 H1 TIP3 5868 36.666 96.609 58.383 1.00 0.00 WT1 H ATOM 17709 H2 TIP3 5868 36.557 95.406 57.470 1.00 0.00 WT1 H ATOM 17710 OH2 TIP3 5869 27.803 34.810 13.872 1.00 0.00 WT1 O ATOM 17711 H1 TIP3 5869 27.283 34.414 13.172 1.00 0.00 WT1 H ATOM 17712 H2 TIP3 5869 28.622 34.315 13.870 1.00 0.00 WT1 H ATOM 17713 OH2 TIP3 5871 55.887 32.321 -4.422 1.00 0.00 WT1 O ATOM 17714 H1 TIP3 5871 55.907 33.260 -4.606 1.00 0.00 WT1 H ATOM 17715 H2 TIP3 5871 56.193 32.246 -3.518 1.00 0.00 WT1 H ATOM 17716 OH2 TIP3 5872 31.088 37.427 -5.567 1.00 0.00 WT1 O ATOM 17717 H1 TIP3 5872 32.029 37.390 -5.739 1.00 0.00 WT1 H ATOM 17718 H2 TIP3 5872 31.017 37.811 -4.694 1.00 0.00 WT1 H ATOM 17719 OH2 TIP3 5873 29.164 42.609 -12.575 1.00 0.00 WT1 O ATOM 17720 H1 TIP3 5873 30.039 42.948 -12.387 1.00 0.00 WT1 H ATOM 17721 H2 TIP3 5873 29.196 41.694 -12.293 1.00 0.00 WT1 H ATOM 17722 OH2 TIP3 5874 52.479 81.877 -10.154 1.00 0.00 WT1 O ATOM 17723 H1 TIP3 5874 52.368 80.994 -10.507 1.00 0.00 WT1 H ATOM 17724 H2 TIP3 5874 51.649 82.315 -10.337 1.00 0.00 WT1 H ATOM 17725 OH2 TIP3 5875 63.557 85.408 2.968 1.00 0.00 WT1 O ATOM 17726 H1 TIP3 5875 63.031 86.170 3.212 1.00 0.00 WT1 H ATOM 17727 H2 TIP3 5875 64.452 85.743 2.909 1.00 0.00 WT1 H ATOM 17728 OH2 TIP3 5876 78.986 13.312 57.335 1.00 0.00 WT1 O ATOM 17729 H1 TIP3 5876 78.300 13.193 56.679 1.00 0.00 WT1 H ATOM 17730 H2 TIP3 5876 78.696 12.792 58.084 1.00 0.00 WT1 H ATOM 17731 OH2 TIP3 5877 35.376 3.466 44.017 1.00 0.00 WT1 O ATOM 17732 H1 TIP3 5877 34.551 3.008 43.854 1.00 0.00 WT1 H ATOM 17733 H2 TIP3 5877 36.053 2.821 43.812 1.00 0.00 WT1 H ATOM 17734 OH2 TIP3 5878 60.093 35.211 62.298 1.00 0.00 WT1 O ATOM 17735 H1 TIP3 5878 60.041 36.153 62.139 1.00 0.00 WT1 H ATOM 17736 H2 TIP3 5878 60.926 35.090 62.755 1.00 0.00 WT1 H ATOM 17737 OH2 TIP3 5879 34.342 26.555 47.043 1.00 0.00 WT1 O ATOM 17738 H1 TIP3 5879 34.601 27.025 46.250 1.00 0.00 WT1 H ATOM 17739 H2 TIP3 5879 34.734 25.687 46.947 1.00 0.00 WT1 H ATOM 17740 OH2 TIP3 5880 51.247 87.895 -6.601 1.00 0.00 WT1 O ATOM 17741 H1 TIP3 5880 51.034 86.990 -6.375 1.00 0.00 WT1 H ATOM 17742 H2 TIP3 5880 50.397 88.327 -6.687 1.00 0.00 WT1 H ATOM 17743 OH2 TIP3 5881 72.758 74.413 -1.649 1.00 0.00 WT1 O ATOM 17744 H1 TIP3 5881 71.921 74.861 -1.527 1.00 0.00 WT1 H ATOM 17745 H2 TIP3 5881 72.736 74.106 -2.556 1.00 0.00 WT1 H ATOM 17746 OH2 TIP3 5882 85.720 85.490 28.135 1.00 0.00 WT1 O ATOM 17747 H1 TIP3 5882 84.807 85.227 28.249 1.00 0.00 WT1 H ATOM 17748 H2 TIP3 5882 86.193 84.667 28.010 1.00 0.00 WT1 H ATOM 17749 OH2 TIP3 5883 84.022 76.031 3.714 1.00 0.00 WT1 O ATOM 17750 H1 TIP3 5883 84.168 76.211 2.786 1.00 0.00 WT1 H ATOM 17751 H2 TIP3 5883 84.881 76.148 4.119 1.00 0.00 WT1 H ATOM 17752 OH2 TIP3 5884 80.692 76.513 -14.795 1.00 0.00 WT1 O ATOM 17753 H1 TIP3 5884 81.643 76.611 -14.832 1.00 0.00 WT1 H ATOM 17754 H2 TIP3 5884 80.468 76.033 -15.592 1.00 0.00 WT1 H ATOM 17755 OH2 TIP3 5885 29.185 8.057 13.145 1.00 0.00 WT1 O ATOM 17756 H1 TIP3 5885 29.516 8.597 12.427 1.00 0.00 WT1 H ATOM 17757 H2 TIP3 5885 29.971 7.704 13.561 1.00 0.00 WT1 H ATOM 17758 OH2 TIP3 5886 74.690 17.459 -0.618 1.00 0.00 WT1 O ATOM 17759 H1 TIP3 5886 74.950 17.092 0.226 1.00 0.00 WT1 H ATOM 17760 H2 TIP3 5886 73.775 17.714 -0.497 1.00 0.00 WT1 H ATOM 17761 OH2 TIP3 5887 64.240 53.697 13.459 1.00 0.00 WT1 O ATOM 17762 H1 TIP3 5887 63.660 53.645 14.219 1.00 0.00 WT1 H ATOM 17763 H2 TIP3 5887 64.683 54.540 13.552 1.00 0.00 WT1 H ATOM 17764 OH2 TIP3 5888 50.020 0.816 48.054 1.00 0.00 WT1 O ATOM 17765 H1 TIP3 5888 50.734 1.016 48.659 1.00 0.00 WT1 H ATOM 17766 H2 TIP3 5888 50.459 0.541 47.248 1.00 0.00 WT1 H ATOM 17767 OH2 TIP3 5889 39.695 30.972 -9.534 1.00 0.00 WT1 O ATOM 17768 H1 TIP3 5889 40.248 31.162 -8.777 1.00 0.00 WT1 H ATOM 17769 H2 TIP3 5889 39.119 31.733 -9.608 1.00 0.00 WT1 H ATOM 17770 OH2 TIP3 5890 69.652 80.394 44.314 1.00 0.00 WT1 O ATOM 17771 H1 TIP3 5890 68.929 80.592 44.909 1.00 0.00 WT1 H ATOM 17772 H2 TIP3 5890 69.904 79.497 44.531 1.00 0.00 WT1 H ATOM 17773 OH2 TIP3 5891 59.777 81.470 18.119 1.00 0.00 WT1 O ATOM 17774 H1 TIP3 5891 59.254 82.271 18.163 1.00 0.00 WT1 H ATOM 17775 H2 TIP3 5891 59.249 80.814 18.575 1.00 0.00 WT1 H ATOM 17776 OH2 TIP3 5893 54.855 30.375 17.843 1.00 0.00 WT1 O ATOM 17777 H1 TIP3 5893 55.047 31.066 18.477 1.00 0.00 WT1 H ATOM 17778 H2 TIP3 5893 54.481 29.666 18.366 1.00 0.00 WT1 H ATOM 17779 OH2 TIP3 5894 24.489 56.986 61.606 1.00 0.00 WT1 O ATOM 17780 H1 TIP3 5894 23.634 57.274 61.286 1.00 0.00 WT1 H ATOM 17781 H2 TIP3 5894 24.328 56.118 61.975 1.00 0.00 WT1 H ATOM 17782 OH2 TIP3 5896 80.663 54.790 -10.016 1.00 0.00 WT1 O ATOM 17783 H1 TIP3 5896 79.911 55.359 -10.178 1.00 0.00 WT1 H ATOM 17784 H2 TIP3 5896 80.409 54.268 -9.255 1.00 0.00 WT1 H ATOM 17785 OH2 TIP3 5897 90.134 27.751 64.830 1.00 0.00 WT1 O ATOM 17786 H1 TIP3 5897 89.459 28.262 65.277 1.00 0.00 WT1 H ATOM 17787 H2 TIP3 5897 89.824 26.847 64.882 1.00 0.00 WT1 H ATOM 17788 OH2 TIP3 5898 58.115 87.473 41.033 1.00 0.00 WT1 O ATOM 17789 H1 TIP3 5898 58.990 87.354 40.664 1.00 0.00 WT1 H ATOM 17790 H2 TIP3 5898 58.042 86.791 41.701 1.00 0.00 WT1 H ATOM 17791 OH2 TIP3 5899 41.033 0.986 -14.706 1.00 0.00 WT1 O ATOM 17792 H1 TIP3 5899 41.798 1.542 -14.560 1.00 0.00 WT1 H ATOM 17793 H2 TIP3 5899 40.307 1.467 -14.308 1.00 0.00 WT1 H ATOM 17794 OH2 TIP3 5900 29.502 36.480 56.667 1.00 0.00 WT1 O ATOM 17795 H1 TIP3 5900 30.176 37.030 57.065 1.00 0.00 WT1 H ATOM 17796 H2 TIP3 5900 28.715 37.025 56.669 1.00 0.00 WT1 H ATOM 17797 OH2 TIP3 5901 46.761 15.758 -19.504 1.00 0.00 WT1 O ATOM 17798 H1 TIP3 5901 47.255 16.445 -19.056 1.00 0.00 WT1 H ATOM 17799 H2 TIP3 5901 47.392 15.362 -20.105 1.00 0.00 WT1 H ATOM 17800 OH2 TIP3 5902 44.538 47.503 39.184 1.00 0.00 WT1 O ATOM 17801 H1 TIP3 5902 43.643 47.447 39.518 1.00 0.00 WT1 H ATOM 17802 H2 TIP3 5902 45.075 47.106 39.869 1.00 0.00 WT1 H ATOM 17803 OH2 TIP3 5903 25.496 21.160 10.698 1.00 0.00 WT1 O ATOM 17804 H1 TIP3 5903 26.097 20.430 10.546 1.00 0.00 WT1 H ATOM 17805 H2 TIP3 5903 24.773 21.006 10.090 1.00 0.00 WT1 H ATOM 17806 OH2 TIP3 5904 54.551 51.227 -4.496 1.00 0.00 WT1 O ATOM 17807 H1 TIP3 5904 55.414 51.511 -4.798 1.00 0.00 WT1 H ATOM 17808 H2 TIP3 5904 54.259 51.926 -3.911 1.00 0.00 WT1 H ATOM 17809 OH2 TIP3 5906 69.915 79.955 39.218 1.00 0.00 WT1 O ATOM 17810 H1 TIP3 5906 69.052 80.309 39.432 1.00 0.00 WT1 H ATOM 17811 H2 TIP3 5906 69.745 79.300 38.542 1.00 0.00 WT1 H ATOM 17812 OH2 TIP3 5907 50.352 3.068 63.641 1.00 0.00 WT1 O ATOM 17813 H1 TIP3 5907 49.889 3.354 64.429 1.00 0.00 WT1 H ATOM 17814 H2 TIP3 5907 51.268 3.291 63.807 1.00 0.00 WT1 H ATOM 17815 OH2 TIP3 5909 61.518 6.576 11.866 1.00 0.00 WT1 O ATOM 17816 H1 TIP3 5909 61.725 6.248 10.991 1.00 0.00 WT1 H ATOM 17817 H2 TIP3 5909 61.369 7.514 11.742 1.00 0.00 WT1 H ATOM 17818 OH2 TIP3 5911 42.823 14.819 -14.350 1.00 0.00 WT1 O ATOM 17819 H1 TIP3 5911 43.252 15.674 -14.369 1.00 0.00 WT1 H ATOM 17820 H2 TIP3 5911 42.267 14.811 -15.129 1.00 0.00 WT1 H ATOM 17821 OH2 TIP3 5912 67.745 88.287 57.024 1.00 0.00 WT1 O ATOM 17822 H1 TIP3 5912 67.687 88.303 56.069 1.00 0.00 WT1 H ATOM 17823 H2 TIP3 5912 66.910 88.649 57.322 1.00 0.00 WT1 H ATOM 17824 OH2 TIP3 5914 48.912 11.027 21.473 1.00 0.00 WT1 O ATOM 17825 H1 TIP3 5914 49.161 11.886 21.131 1.00 0.00 WT1 H ATOM 17826 H2 TIP3 5914 48.290 10.685 20.831 1.00 0.00 WT1 H ATOM 17827 OH2 TIP3 5915 47.317 18.809 -7.747 1.00 0.00 WT1 O ATOM 17828 H1 TIP3 5915 46.456 18.413 -7.612 1.00 0.00 WT1 H ATOM 17829 H2 TIP3 5915 47.855 18.462 -7.036 1.00 0.00 WT1 H ATOM 17830 OH2 TIP3 5916 52.367 85.250 49.061 1.00 0.00 WT1 O ATOM 17831 H1 TIP3 5916 52.998 84.771 49.597 1.00 0.00 WT1 H ATOM 17832 H2 TIP3 5916 51.801 85.692 49.694 1.00 0.00 WT1 H ATOM 17833 OH2 TIP3 5917 45.774 89.630 18.308 1.00 0.00 WT1 O ATOM 17834 H1 TIP3 5917 46.666 89.609 18.655 1.00 0.00 WT1 H ATOM 17835 H2 TIP3 5917 45.751 88.923 17.663 1.00 0.00 WT1 H ATOM 17836 OH2 TIP3 5919 47.699 91.930 63.531 1.00 0.00 WT1 O ATOM 17837 H1 TIP3 5919 47.681 92.530 62.784 1.00 0.00 WT1 H ATOM 17838 H2 TIP3 5919 47.795 92.500 64.294 1.00 0.00 WT1 H ATOM 17839 OH2 TIP3 5920 50.327 46.139 63.377 1.00 0.00 WT1 O ATOM 17840 H1 TIP3 5920 49.725 45.403 63.488 1.00 0.00 WT1 H ATOM 17841 H2 TIP3 5920 50.918 45.862 62.677 1.00 0.00 WT1 H ATOM 17842 OH2 TIP3 5921 47.352 12.247 46.593 1.00 0.00 WT1 O ATOM 17843 H1 TIP3 5921 47.800 12.240 45.747 1.00 0.00 WT1 H ATOM 17844 H2 TIP3 5921 46.487 11.881 46.410 1.00 0.00 WT1 H ATOM 17845 OH2 TIP3 5923 41.443 88.094 -6.748 1.00 0.00 WT1 O ATOM 17846 H1 TIP3 5923 41.782 88.474 -5.937 1.00 0.00 WT1 H ATOM 17847 H2 TIP3 5923 41.158 88.848 -7.264 1.00 0.00 WT1 H ATOM 17848 OH2 TIP3 5924 74.923 53.960 0.467 1.00 0.00 WT1 O ATOM 17849 H1 TIP3 5924 75.392 54.664 0.019 1.00 0.00 WT1 H ATOM 17850 H2 TIP3 5924 74.794 53.291 -0.206 1.00 0.00 WT1 H ATOM 17851 OH2 TIP3 5925 57.946 86.429 2.659 1.00 0.00 WT1 O ATOM 17852 H1 TIP3 5925 57.930 87.362 2.443 1.00 0.00 WT1 H ATOM 17853 H2 TIP3 5925 57.062 86.122 2.456 1.00 0.00 WT1 H ATOM 17854 OH2 TIP3 5926 71.375 59.991 17.476 1.00 0.00 WT1 O ATOM 17855 H1 TIP3 5926 71.534 60.470 18.289 1.00 0.00 WT1 H ATOM 17856 H2 TIP3 5926 70.426 59.865 17.454 1.00 0.00 WT1 H ATOM 17857 OH2 TIP3 5927 62.326 31.260 32.444 1.00 0.00 WT1 O ATOM 17858 H1 TIP3 5927 62.749 31.813 31.787 1.00 0.00 WT1 H ATOM 17859 H2 TIP3 5927 61.648 30.789 31.961 1.00 0.00 WT1 H ATOM 17860 OH2 TIP3 5928 77.430 41.695 10.498 1.00 0.00 WT1 O ATOM 17861 H1 TIP3 5928 77.641 41.992 11.383 1.00 0.00 WT1 H ATOM 17862 H2 TIP3 5928 76.581 42.094 10.306 1.00 0.00 WT1 H ATOM 17863 OH2 TIP3 5929 37.025 74.910 19.500 1.00 0.00 WT1 O ATOM 17864 H1 TIP3 5929 36.715 74.741 18.610 1.00 0.00 WT1 H ATOM 17865 H2 TIP3 5929 37.881 74.483 19.541 1.00 0.00 WT1 H ATOM 17866 OH2 TIP3 5930 40.613 44.485 42.770 1.00 0.00 WT1 O ATOM 17867 H1 TIP3 5930 40.484 43.855 42.061 1.00 0.00 WT1 H ATOM 17868 H2 TIP3 5930 41.145 44.017 43.413 1.00 0.00 WT1 H ATOM 17869 OH2 TIP3 5931 86.188 57.837 66.708 1.00 0.00 WT1 O ATOM 17870 H1 TIP3 5931 86.432 57.383 65.901 1.00 0.00 WT1 H ATOM 17871 H2 TIP3 5931 85.513 57.284 67.100 1.00 0.00 WT1 H ATOM 17872 OH2 TIP3 5932 56.543 32.060 37.998 1.00 0.00 WT1 O ATOM 17873 H1 TIP3 5932 56.711 32.716 37.321 1.00 0.00 WT1 H ATOM 17874 H2 TIP3 5932 57.156 31.352 37.803 1.00 0.00 WT1 H ATOM 17875 OH2 TIP3 5934 30.895 46.242 30.430 1.00 0.00 WT1 O ATOM 17876 H1 TIP3 5934 30.371 45.825 29.746 1.00 0.00 WT1 H ATOM 17877 H2 TIP3 5934 31.737 46.421 30.012 1.00 0.00 WT1 H ATOM 17878 OH2 TIP3 5936 33.514 36.408 3.796 1.00 0.00 WT1 O ATOM 17879 H1 TIP3 5936 33.253 35.892 4.558 1.00 0.00 WT1 H ATOM 17880 H2 TIP3 5936 34.191 36.998 4.126 1.00 0.00 WT1 H ATOM 17881 OH2 TIP3 5937 78.616 37.990 13.641 1.00 0.00 WT1 O ATOM 17882 H1 TIP3 5937 77.935 37.317 13.619 1.00 0.00 WT1 H ATOM 17883 H2 TIP3 5937 78.320 38.610 14.307 1.00 0.00 WT1 H ATOM 17884 OH2 TIP3 5939 26.093 41.935 20.514 1.00 0.00 WT1 O ATOM 17885 H1 TIP3 5939 27.023 42.144 20.423 1.00 0.00 WT1 H ATOM 17886 H2 TIP3 5939 25.872 41.469 19.708 1.00 0.00 WT1 H ATOM 17887 OH2 TIP3 5941 29.556 51.608 28.009 1.00 0.00 WT1 O ATOM 17888 H1 TIP3 5941 28.838 51.654 27.378 1.00 0.00 WT1 H ATOM 17889 H2 TIP3 5941 30.343 51.777 27.490 1.00 0.00 WT1 H ATOM 17890 OH2 TIP3 5942 88.742 96.201 40.221 1.00 0.00 WT1 O ATOM 17891 H1 TIP3 5942 89.310 96.779 39.711 1.00 0.00 WT1 H ATOM 17892 H2 TIP3 5942 89.104 95.326 40.081 1.00 0.00 WT1 H ATOM 17893 OH2 TIP3 5943 43.787 92.115 27.460 1.00 0.00 WT1 O ATOM 17894 H1 TIP3 5943 43.392 92.685 26.800 1.00 0.00 WT1 H ATOM 17895 H2 TIP3 5943 43.608 92.552 28.292 1.00 0.00 WT1 H ATOM 17896 OH2 TIP3 5944 51.743 22.819 35.637 1.00 0.00 WT1 O ATOM 17897 H1 TIP3 5944 51.662 22.232 34.885 1.00 0.00 WT1 H ATOM 17898 H2 TIP3 5944 51.007 23.425 35.549 1.00 0.00 WT1 H ATOM 17899 OH2 TIP3 5945 81.915 70.573 57.843 1.00 0.00 WT1 O ATOM 17900 H1 TIP3 5945 81.886 69.624 57.968 1.00 0.00 WT1 H ATOM 17901 H2 TIP3 5945 82.759 70.734 57.422 1.00 0.00 WT1 H ATOM 17902 OH2 TIP3 5946 26.248 23.528 -8.686 1.00 0.00 WT1 O ATOM 17903 H1 TIP3 5946 26.615 23.598 -7.805 1.00 0.00 WT1 H ATOM 17904 H2 TIP3 5946 26.614 22.716 -9.035 1.00 0.00 WT1 H ATOM 17905 OH2 TIP3 5947 38.354 26.652 -4.297 1.00 0.00 WT1 O ATOM 17906 H1 TIP3 5947 38.968 27.322 -3.997 1.00 0.00 WT1 H ATOM 17907 H2 TIP3 5947 37.592 26.750 -3.726 1.00 0.00 WT1 H ATOM 17908 OH2 TIP3 5948 38.626 60.843 -16.738 1.00 0.00 WT1 O ATOM 17909 H1 TIP3 5948 37.728 61.142 -16.884 1.00 0.00 WT1 H ATOM 17910 H2 TIP3 5948 38.789 61.017 -15.811 1.00 0.00 WT1 H ATOM 17911 OH2 TIP3 5949 48.890 56.130 4.990 1.00 0.00 WT1 O ATOM 17912 H1 TIP3 5949 48.609 57.039 5.093 1.00 0.00 WT1 H ATOM 17913 H2 TIP3 5949 49.805 56.127 5.273 1.00 0.00 WT1 H ATOM 17914 OH2 TIP3 5950 52.275 24.293 -10.338 1.00 0.00 WT1 O ATOM 17915 H1 TIP3 5950 53.156 24.130 -9.999 1.00 0.00 WT1 H ATOM 17916 H2 TIP3 5950 51.804 23.474 -10.185 1.00 0.00 WT1 H ATOM 17917 OH2 TIP3 5951 23.490 44.261 14.723 1.00 0.00 WT1 O ATOM 17918 H1 TIP3 5951 23.456 43.833 15.579 1.00 0.00 WT1 H ATOM 17919 H2 TIP3 5951 24.412 44.490 14.606 1.00 0.00 WT1 H ATOM 17920 OH2 TIP3 5952 28.696 23.715 -19.037 1.00 0.00 WT1 O ATOM 17921 H1 TIP3 5952 28.177 24.455 -18.722 1.00 0.00 WT1 H ATOM 17922 H2 TIP3 5952 29.130 23.375 -18.254 1.00 0.00 WT1 H ATOM 17923 OH2 TIP3 5953 82.651 60.503 3.586 1.00 0.00 WT1 O ATOM 17924 H1 TIP3 5953 82.143 59.693 3.637 1.00 0.00 WT1 H ATOM 17925 H2 TIP3 5953 82.015 61.170 3.327 1.00 0.00 WT1 H ATOM 17926 OH2 TIP3 5954 72.474 18.695 40.296 1.00 0.00 WT1 O ATOM 17927 H1 TIP3 5954 73.036 18.407 39.577 1.00 0.00 WT1 H ATOM 17928 H2 TIP3 5954 71.583 18.550 39.978 1.00 0.00 WT1 H ATOM 17929 OH2 TIP3 5955 70.865 9.306 -2.955 1.00 0.00 WT1 O ATOM 17930 H1 TIP3 5955 71.451 9.970 -2.592 1.00 0.00 WT1 H ATOM 17931 H2 TIP3 5955 70.366 9.768 -3.628 1.00 0.00 WT1 H ATOM 17932 OH2 TIP3 5956 54.411 47.643 54.784 1.00 0.00 WT1 O ATOM 17933 H1 TIP3 5956 54.788 47.841 55.641 1.00 0.00 WT1 H ATOM 17934 H2 TIP3 5956 54.320 48.495 54.359 1.00 0.00 WT1 H ATOM 17935 OH2 TIP3 5957 79.831 22.945 58.272 1.00 0.00 WT1 O ATOM 17936 H1 TIP3 5957 79.316 23.462 57.653 1.00 0.00 WT1 H ATOM 17937 H2 TIP3 5957 80.060 22.151 57.790 1.00 0.00 WT1 H ATOM 17938 OH2 TIP3 5958 41.750 15.886 41.036 1.00 0.00 WT1 O ATOM 17939 H1 TIP3 5958 42.251 16.043 40.236 1.00 0.00 WT1 H ATOM 17940 H2 TIP3 5958 41.377 15.012 40.918 1.00 0.00 WT1 H ATOM 17941 OH2 TIP3 5959 68.746 48.139 -10.836 1.00 0.00 WT1 O ATOM 17942 H1 TIP3 5959 68.634 47.415 -11.451 1.00 0.00 WT1 H ATOM 17943 H2 TIP3 5959 69.570 47.950 -10.389 1.00 0.00 WT1 H ATOM 17944 OH2 TIP3 5960 24.889 20.601 35.739 1.00 0.00 WT1 O ATOM 17945 H1 TIP3 5960 24.225 21.266 35.558 1.00 0.00 WT1 H ATOM 17946 H2 TIP3 5960 25.540 21.051 36.277 1.00 0.00 WT1 H ATOM 17947 OH2 TIP3 5961 37.199 47.737 26.222 1.00 0.00 WT1 O ATOM 17948 H1 TIP3 5961 37.125 48.473 26.829 1.00 0.00 WT1 H ATOM 17949 H2 TIP3 5961 36.449 47.179 26.427 1.00 0.00 WT1 H ATOM 17950 OH2 TIP3 5963 76.169 25.137 17.389 1.00 0.00 WT1 O ATOM 17951 H1 TIP3 5963 76.560 24.696 18.143 1.00 0.00 WT1 H ATOM 17952 H2 TIP3 5963 76.842 25.750 17.094 1.00 0.00 WT1 H ATOM 17953 OH2 TIP3 5965 87.706 63.160 55.143 1.00 0.00 WT1 O ATOM 17954 H1 TIP3 5965 88.216 62.869 55.898 1.00 0.00 WT1 H ATOM 17955 H2 TIP3 5965 87.206 62.388 54.879 1.00 0.00 WT1 H ATOM 17956 OH2 TIP3 5966 63.269 78.026 25.202 1.00 0.00 WT1 O ATOM 17957 H1 TIP3 5966 63.587 77.482 25.922 1.00 0.00 WT1 H ATOM 17958 H2 TIP3 5966 63.816 78.811 25.235 1.00 0.00 WT1 H ATOM 17959 OH2 TIP3 5968 38.446 80.236 -14.967 1.00 0.00 WT1 O ATOM 17960 H1 TIP3 5968 38.829 81.112 -14.999 1.00 0.00 WT1 H ATOM 17961 H2 TIP3 5968 39.021 79.702 -15.515 1.00 0.00 WT1 H ATOM 17962 OH2 TIP3 5969 32.377 66.014 51.556 1.00 0.00 WT1 O ATOM 17963 H1 TIP3 5969 32.709 65.323 52.130 1.00 0.00 WT1 H ATOM 17964 H2 TIP3 5969 32.827 65.870 50.723 1.00 0.00 WT1 H ATOM 17965 OH2 TIP3 5970 79.595 31.920 19.957 1.00 0.00 WT1 O ATOM 17966 H1 TIP3 5970 79.258 31.284 20.589 1.00 0.00 WT1 H ATOM 17967 H2 TIP3 5970 80.459 32.158 20.294 1.00 0.00 WT1 H ATOM 17968 OH2 TIP3 5971 60.246 11.341 44.509 1.00 0.00 WT1 O ATOM 17969 H1 TIP3 5971 60.128 11.993 43.819 1.00 0.00 WT1 H ATOM 17970 H2 TIP3 5971 59.424 11.358 45.000 1.00 0.00 WT1 H ATOM 17971 OH2 TIP3 5972 41.506 44.021 45.349 1.00 0.00 WT1 O ATOM 17972 H1 TIP3 5972 40.658 44.408 45.133 1.00 0.00 WT1 H ATOM 17973 H2 TIP3 5972 42.137 44.726 45.203 1.00 0.00 WT1 H ATOM 17974 OH2 TIP3 5973 30.941 46.504 -6.528 1.00 0.00 WT1 O ATOM 17975 H1 TIP3 5973 30.839 47.364 -6.121 1.00 0.00 WT1 H ATOM 17976 H2 TIP3 5973 30.231 46.456 -7.169 1.00 0.00 WT1 H ATOM 17977 OH2 TIP3 5974 28.961 41.326 44.472 1.00 0.00 WT1 O ATOM 17978 H1 TIP3 5974 29.009 41.903 43.709 1.00 0.00 WT1 H ATOM 17979 H2 TIP3 5974 29.631 41.661 45.068 1.00 0.00 WT1 H ATOM 17980 OH2 TIP3 5975 34.948 26.895 44.386 1.00 0.00 WT1 O ATOM 17981 H1 TIP3 5975 34.630 27.293 43.576 1.00 0.00 WT1 H ATOM 17982 H2 TIP3 5975 35.788 26.503 44.147 1.00 0.00 WT1 H ATOM 17983 OH2 TIP3 5977 78.634 61.002 7.580 1.00 0.00 WT1 O ATOM 17984 H1 TIP3 5977 77.695 60.853 7.468 1.00 0.00 WT1 H ATOM 17985 H2 TIP3 5977 79.020 60.127 7.559 1.00 0.00 WT1 H ATOM 17986 OH2 TIP3 5978 44.429 51.254 46.430 1.00 0.00 WT1 O ATOM 17987 H1 TIP3 5978 44.245 50.314 46.430 1.00 0.00 WT1 H ATOM 17988 H2 TIP3 5978 45.112 51.365 47.091 1.00 0.00 WT1 H ATOM 17989 OH2 TIP3 5979 53.985 4.553 -13.512 1.00 0.00 WT1 O ATOM 17990 H1 TIP3 5979 54.389 5.320 -13.106 1.00 0.00 WT1 H ATOM 17991 H2 TIP3 5979 54.333 4.542 -14.404 1.00 0.00 WT1 H ATOM 17992 OH2 TIP3 5980 24.721 47.220 -8.269 1.00 0.00 WT1 O ATOM 17993 H1 TIP3 5980 25.304 47.587 -7.604 1.00 0.00 WT1 H ATOM 17994 H2 TIP3 5980 25.305 46.954 -8.979 1.00 0.00 WT1 H ATOM 17995 OH2 TIP3 5981 86.378 51.969 7.279 1.00 0.00 WT1 O ATOM 17996 H1 TIP3 5981 86.865 51.438 7.910 1.00 0.00 WT1 H ATOM 17997 H2 TIP3 5981 85.602 52.259 7.759 1.00 0.00 WT1 H ATOM 17998 OH2 TIP3 5982 61.185 27.050 -2.949 1.00 0.00 WT1 O ATOM 17999 H1 TIP3 5982 60.911 26.616 -3.757 1.00 0.00 WT1 H ATOM 18000 H2 TIP3 5982 61.446 26.335 -2.369 1.00 0.00 WT1 H ATOM 18001 OH2 TIP3 5983 65.390 87.144 33.197 1.00 0.00 WT1 O ATOM 18002 H1 TIP3 5983 64.636 86.604 32.961 1.00 0.00 WT1 H ATOM 18003 H2 TIP3 5983 65.962 87.106 32.430 1.00 0.00 WT1 H ATOM 18004 OH2 TIP3 5986 72.779 81.336 51.308 1.00 0.00 WT1 O ATOM 18005 H1 TIP3 5986 72.993 82.112 50.789 1.00 0.00 WT1 H ATOM 18006 H2 TIP3 5986 72.554 80.669 50.659 1.00 0.00 WT1 H ATOM 18007 OH2 TIP3 5987 38.683 71.262 -12.406 1.00 0.00 WT1 O ATOM 18008 H1 TIP3 5987 38.402 71.716 -11.611 1.00 0.00 WT1 H ATOM 18009 H2 TIP3 5987 39.590 71.541 -12.534 1.00 0.00 WT1 H ATOM 18010 OH2 TIP3 5988 59.536 63.809 56.455 1.00 0.00 WT1 O ATOM 18011 H1 TIP3 5988 60.316 63.352 56.139 1.00 0.00 WT1 H ATOM 18012 H2 TIP3 5988 58.993 63.925 55.676 1.00 0.00 WT1 H ATOM 18013 OH2 TIP3 5989 63.412 37.082 43.442 1.00 0.00 WT1 O ATOM 18014 H1 TIP3 5989 63.124 37.121 42.530 1.00 0.00 WT1 H ATOM 18015 H2 TIP3 5989 64.363 36.985 43.390 1.00 0.00 WT1 H ATOM 18016 OH2 TIP3 5990 49.629 12.553 -15.702 1.00 0.00 WT1 O ATOM 18017 H1 TIP3 5990 49.074 12.888 -16.406 1.00 0.00 WT1 H ATOM 18018 H2 TIP3 5990 49.761 13.303 -15.123 1.00 0.00 WT1 H ATOM 18019 OH2 TIP3 5991 42.477 45.124 17.051 1.00 0.00 WT1 O ATOM 18020 H1 TIP3 5991 43.303 45.599 16.956 1.00 0.00 WT1 H ATOM 18021 H2 TIP3 5991 41.992 45.616 17.713 1.00 0.00 WT1 H ATOM 18022 OH2 TIP3 5992 33.684 45.448 -6.148 1.00 0.00 WT1 O ATOM 18023 H1 TIP3 5992 32.811 45.838 -6.189 1.00 0.00 WT1 H ATOM 18024 H2 TIP3 5992 34.001 45.476 -7.051 1.00 0.00 WT1 H ATOM 18025 OH2 TIP3 5993 88.270 27.241 44.478 1.00 0.00 WT1 O ATOM 18026 H1 TIP3 5993 88.818 27.087 43.709 1.00 0.00 WT1 H ATOM 18027 H2 TIP3 5993 87.978 26.368 44.743 1.00 0.00 WT1 H ATOM 18028 OH2 TIP3 5994 31.433 1.205 33.089 1.00 0.00 WT1 O ATOM 18029 H1 TIP3 5994 30.489 1.230 33.249 1.00 0.00 WT1 H ATOM 18030 H2 TIP3 5994 31.555 0.466 32.492 1.00 0.00 WT1 H ATOM 18031 OH2 TIP3 5995 72.377 72.139 33.688 1.00 0.00 WT1 O ATOM 18032 H1 TIP3 5995 72.641 72.691 32.952 1.00 0.00 WT1 H ATOM 18033 H2 TIP3 5995 72.146 72.758 34.381 1.00 0.00 WT1 H ATOM 18034 OH2 TIP3 5996 78.183 33.845 18.729 1.00 0.00 WT1 O ATOM 18035 H1 TIP3 5996 78.725 33.098 18.982 1.00 0.00 WT1 H ATOM 18036 H2 TIP3 5996 78.471 34.061 17.843 1.00 0.00 WT1 H ATOM 18037 OH2 TIP3 5997 53.313 46.731 -13.862 1.00 0.00 WT1 O ATOM 18038 H1 TIP3 5997 52.430 46.438 -13.635 1.00 0.00 WT1 H ATOM 18039 H2 TIP3 5997 53.864 45.961 -13.726 1.00 0.00 WT1 H ATOM 18040 OH2 TIP3 5998 57.435 33.204 52.479 1.00 0.00 WT1 O ATOM 18041 H1 TIP3 5998 58.340 33.508 52.542 1.00 0.00 WT1 H ATOM 18042 H2 TIP3 5998 56.907 33.979 52.672 1.00 0.00 WT1 H ATOM 18043 OH2 TIP3 5999 65.361 63.674 -16.196 1.00 0.00 WT1 O ATOM 18044 H1 TIP3 5999 64.845 63.183 -16.835 1.00 0.00 WT1 H ATOM 18045 H2 TIP3 5999 65.841 63.004 -15.710 1.00 0.00 WT1 H ATOM 18046 OH2 TIP3 6001 62.671 47.457 -12.646 1.00 0.00 WT1 O ATOM 18047 H1 TIP3 6001 62.154 46.712 -12.340 1.00 0.00 WT1 H ATOM 18048 H2 TIP3 6001 63.286 47.631 -11.934 1.00 0.00 WT1 H ATOM 18049 OH2 TIP3 6004 73.044 16.605 60.270 1.00 0.00 WT1 O ATOM 18050 H1 TIP3 6004 72.859 17.526 60.083 1.00 0.00 WT1 H ATOM 18051 H2 TIP3 6004 72.215 16.156 60.106 1.00 0.00 WT1 H ATOM 18052 OH2 TIP3 6006 75.133 62.118 -19.054 1.00 0.00 WT1 O ATOM 18053 H1 TIP3 6006 75.047 61.170 -19.155 1.00 0.00 WT1 H ATOM 18054 H2 TIP3 6006 75.746 62.228 -18.327 1.00 0.00 WT1 H ATOM 18055 OH2 TIP3 6007 71.718 37.113 8.912 1.00 0.00 WT1 O ATOM 18056 H1 TIP3 6007 71.877 37.319 9.833 1.00 0.00 WT1 H ATOM 18057 H2 TIP3 6007 70.946 37.630 8.680 1.00 0.00 WT1 H ATOM 18058 OH2 TIP3 6009 63.452 59.818 -1.575 1.00 0.00 WT1 O ATOM 18059 H1 TIP3 6009 62.552 59.776 -1.901 1.00 0.00 WT1 H ATOM 18060 H2 TIP3 6009 63.495 59.139 -0.901 1.00 0.00 WT1 H ATOM 18061 OH2 TIP3 6011 73.823 12.168 -9.896 1.00 0.00 WT1 O ATOM 18062 H1 TIP3 6011 74.718 12.486 -9.778 1.00 0.00 WT1 H ATOM 18063 H2 TIP3 6011 73.616 12.369 -10.809 1.00 0.00 WT1 H ATOM 18064 OH2 TIP3 6013 65.414 73.538 44.401 1.00 0.00 WT1 O ATOM 18065 H1 TIP3 6013 64.984 73.789 43.584 1.00 0.00 WT1 H ATOM 18066 H2 TIP3 6013 66.325 73.379 44.154 1.00 0.00 WT1 H ATOM 18067 OH2 TIP3 6014 48.548 44.182 5.076 1.00 0.00 WT1 O ATOM 18068 H1 TIP3 6014 48.874 43.902 5.931 1.00 0.00 WT1 H ATOM 18069 H2 TIP3 6014 49.337 44.372 4.568 1.00 0.00 WT1 H ATOM 18070 OH2 TIP3 6015 58.088 57.046 1.262 1.00 0.00 WT1 O ATOM 18071 H1 TIP3 6015 57.845 57.970 1.193 1.00 0.00 WT1 H ATOM 18072 H2 TIP3 6015 57.452 56.675 1.872 1.00 0.00 WT1 H ATOM 18073 OH2 TIP3 6016 26.920 32.819 61.323 1.00 0.00 WT1 O ATOM 18074 H1 TIP3 6016 26.273 33.314 61.825 1.00 0.00 WT1 H ATOM 18075 H2 TIP3 6016 26.434 32.070 60.978 1.00 0.00 WT1 H ATOM 18076 OH2 TIP3 6018 31.491 82.559 40.838 1.00 0.00 WT1 O ATOM 18077 H1 TIP3 6018 31.735 82.503 41.762 1.00 0.00 WT1 H ATOM 18078 H2 TIP3 6018 30.714 83.118 40.829 1.00 0.00 WT1 H ATOM 18079 OH2 TIP3 6019 66.643 30.826 62.577 1.00 0.00 WT1 O ATOM 18080 H1 TIP3 6019 67.499 30.406 62.649 1.00 0.00 WT1 H ATOM 18081 H2 TIP3 6019 66.614 31.160 61.681 1.00 0.00 WT1 H ATOM 18082 OH2 TIP3 6020 43.191 11.638 14.845 1.00 0.00 WT1 O ATOM 18083 H1 TIP3 6020 42.939 10.730 15.016 1.00 0.00 WT1 H ATOM 18084 H2 TIP3 6020 43.399 11.996 15.709 1.00 0.00 WT1 H ATOM 18085 OH2 TIP3 6021 49.495 40.602 9.268 1.00 0.00 WT1 O ATOM 18086 H1 TIP3 6021 48.953 40.784 10.036 1.00 0.00 WT1 H ATOM 18087 H2 TIP3 6021 50.002 39.828 9.510 1.00 0.00 WT1 H ATOM 18088 OH2 TIP3 6024 79.046 81.298 -7.711 1.00 0.00 WT1 O ATOM 18089 H1 TIP3 6024 79.681 81.621 -8.351 1.00 0.00 WT1 H ATOM 18090 H2 TIP3 6024 78.310 80.989 -8.238 1.00 0.00 WT1 H ATOM 18091 OH2 TIP3 6026 33.636 47.440 16.511 1.00 0.00 WT1 O ATOM 18092 H1 TIP3 6026 34.097 47.148 15.725 1.00 0.00 WT1 H ATOM 18093 H2 TIP3 6026 34.299 47.906 17.020 1.00 0.00 WT1 H ATOM 18094 OH2 TIP3 6027 60.505 34.407 8.555 1.00 0.00 WT1 O ATOM 18095 H1 TIP3 6027 60.637 35.103 9.199 1.00 0.00 WT1 H ATOM 18096 H2 TIP3 6027 60.878 34.756 7.745 1.00 0.00 WT1 H ATOM 18097 OH2 TIP3 6030 31.235 25.373 57.579 1.00 0.00 WT1 O ATOM 18098 H1 TIP3 6030 31.837 24.629 57.551 1.00 0.00 WT1 H ATOM 18099 H2 TIP3 6030 31.487 25.914 56.830 1.00 0.00 WT1 H ATOM 18100 OH2 TIP3 6031 40.619 67.936 -19.481 1.00 0.00 WT1 O ATOM 18101 H1 TIP3 6031 41.002 68.134 -20.336 1.00 0.00 WT1 H ATOM 18102 H2 TIP3 6031 41.086 67.156 -19.183 1.00 0.00 WT1 H ATOM 18103 OH2 TIP3 6032 52.653 33.173 -14.033 1.00 0.00 WT1 O ATOM 18104 H1 TIP3 6032 53.412 33.690 -13.763 1.00 0.00 WT1 H ATOM 18105 H2 TIP3 6032 52.094 33.144 -13.256 1.00 0.00 WT1 H ATOM 18106 OH2 TIP3 6034 51.102 87.558 40.679 1.00 0.00 WT1 O ATOM 18107 H1 TIP3 6034 50.688 87.103 41.413 1.00 0.00 WT1 H ATOM 18108 H2 TIP3 6034 51.809 86.975 40.403 1.00 0.00 WT1 H ATOM 18109 OH2 TIP3 6035 76.039 60.073 8.402 1.00 0.00 WT1 O ATOM 18110 H1 TIP3 6035 76.380 59.617 9.172 1.00 0.00 WT1 H ATOM 18111 H2 TIP3 6035 75.863 60.962 8.709 1.00 0.00 WT1 H ATOM 18112 OH2 TIP3 6036 77.556 35.823 2.393 1.00 0.00 WT1 O ATOM 18113 H1 TIP3 6036 76.835 36.109 1.831 1.00 0.00 WT1 H ATOM 18114 H2 TIP3 6036 77.280 34.965 2.718 1.00 0.00 WT1 H ATOM 18115 OH2 TIP3 6037 66.700 41.831 9.588 1.00 0.00 WT1 O ATOM 18116 H1 TIP3 6037 67.378 41.749 10.259 1.00 0.00 WT1 H ATOM 18117 H2 TIP3 6037 65.882 41.652 10.051 1.00 0.00 WT1 H ATOM 18118 OH2 TIP3 6039 57.570 34.947 7.235 1.00 0.00 WT1 O ATOM 18119 H1 TIP3 6039 57.847 34.749 8.130 1.00 0.00 WT1 H ATOM 18120 H2 TIP3 6039 56.959 35.677 7.329 1.00 0.00 WT1 H ATOM 18121 OH2 TIP3 6042 58.039 4.560 14.322 1.00 0.00 WT1 O ATOM 18122 H1 TIP3 6042 57.629 4.532 15.186 1.00 0.00 WT1 H ATOM 18123 H2 TIP3 6042 58.680 5.269 14.383 1.00 0.00 WT1 H ATOM 18124 OH2 TIP3 6044 82.528 40.069 -0.263 1.00 0.00 WT1 O ATOM 18125 H1 TIP3 6044 82.997 40.764 -0.725 1.00 0.00 WT1 H ATOM 18126 H2 TIP3 6044 83.175 39.370 -0.161 1.00 0.00 WT1 H ATOM 18127 OH2 TIP3 6046 20.299 76.596 23.360 1.00 0.00 WT1 O ATOM 18128 H1 TIP3 6046 20.366 76.467 22.414 1.00 0.00 WT1 H ATOM 18129 H2 TIP3 6046 20.700 75.813 23.738 1.00 0.00 WT1 H ATOM 18130 OH2 TIP3 6048 43.686 28.836 -17.243 1.00 0.00 WT1 O ATOM 18131 H1 TIP3 6048 44.473 28.762 -16.703 1.00 0.00 WT1 H ATOM 18132 H2 TIP3 6048 43.346 27.943 -17.296 1.00 0.00 WT1 H ATOM 18133 OH2 TIP3 6049 52.946 25.302 41.274 1.00 0.00 WT1 O ATOM 18134 H1 TIP3 6049 52.332 24.680 40.883 1.00 0.00 WT1 H ATOM 18135 H2 TIP3 6049 53.222 25.856 40.544 1.00 0.00 WT1 H ATOM 18136 OH2 TIP3 6050 56.933 4.087 22.595 1.00 0.00 WT1 O ATOM 18137 H1 TIP3 6050 57.560 3.389 22.788 1.00 0.00 WT1 H ATOM 18138 H2 TIP3 6050 57.476 4.859 22.436 1.00 0.00 WT1 H ATOM 18139 OH2 TIP3 6051 24.018 37.999 -9.127 1.00 0.00 WT1 O ATOM 18140 H1 TIP3 6051 24.440 37.946 -8.269 1.00 0.00 WT1 H ATOM 18141 H2 TIP3 6051 24.203 37.155 -9.538 1.00 0.00 WT1 H ATOM 18142 OH2 TIP3 6052 38.115 90.790 -1.580 1.00 0.00 WT1 O ATOM 18143 H1 TIP3 6052 37.652 91.008 -0.771 1.00 0.00 WT1 H ATOM 18144 H2 TIP3 6052 38.460 91.626 -1.892 1.00 0.00 WT1 H ATOM 18145 OH2 TIP3 6053 65.679 35.832 -1.655 1.00 0.00 WT1 O ATOM 18146 H1 TIP3 6053 65.213 36.437 -1.079 1.00 0.00 WT1 H ATOM 18147 H2 TIP3 6053 65.073 35.675 -2.379 1.00 0.00 WT1 H ATOM 18148 OH2 TIP3 6054 61.346 47.262 -3.263 1.00 0.00 WT1 O ATOM 18149 H1 TIP3 6054 61.502 46.481 -2.731 1.00 0.00 WT1 H ATOM 18150 H2 TIP3 6054 60.473 47.557 -3.005 1.00 0.00 WT1 H ATOM 18151 OH2 TIP3 6058 68.286 6.912 29.849 1.00 0.00 WT1 O ATOM 18152 H1 TIP3 6058 67.955 6.212 29.286 1.00 0.00 WT1 H ATOM 18153 H2 TIP3 6058 67.653 7.623 29.744 1.00 0.00 WT1 H ATOM 18154 OH2 TIP3 6059 90.501 56.600 31.095 1.00 0.00 WT1 O ATOM 18155 H1 TIP3 6059 89.595 56.387 31.316 1.00 0.00 WT1 H ATOM 18156 H2 TIP3 6059 90.442 57.425 30.612 1.00 0.00 WT1 H ATOM 18157 OH2 TIP3 6061 40.229 38.648 35.499 1.00 0.00 WT1 O ATOM 18158 H1 TIP3 6061 39.325 38.816 35.234 1.00 0.00 WT1 H ATOM 18159 H2 TIP3 6061 40.653 38.312 34.710 1.00 0.00 WT1 H ATOM 18160 OH2 TIP3 6068 61.880 62.864 -11.267 1.00 0.00 WT1 O ATOM 18161 H1 TIP3 6068 61.197 63.368 -10.825 1.00 0.00 WT1 H ATOM 18162 H2 TIP3 6068 62.022 62.105 -10.701 1.00 0.00 WT1 H ATOM 18163 OH2 TIP3 6069 64.056 81.659 44.905 1.00 0.00 WT1 O ATOM 18164 H1 TIP3 6069 64.362 80.839 44.517 1.00 0.00 WT1 H ATOM 18165 H2 TIP3 6069 63.492 81.387 45.628 1.00 0.00 WT1 H ATOM 18166 OH2 TIP3 6070 75.281 73.893 58.806 1.00 0.00 WT1 O ATOM 18167 H1 TIP3 6070 75.458 72.952 58.810 1.00 0.00 WT1 H ATOM 18168 H2 TIP3 6070 74.524 73.997 59.382 1.00 0.00 WT1 H ATOM 18169 OH2 TIP3 6071 32.903 3.478 -7.856 1.00 0.00 WT1 O ATOM 18170 H1 TIP3 6071 32.220 2.813 -7.762 1.00 0.00 WT1 H ATOM 18171 H2 TIP3 6071 32.495 4.286 -7.546 1.00 0.00 WT1 H ATOM 18172 OH2 TIP3 6072 62.261 79.259 38.666 1.00 0.00 WT1 O ATOM 18173 H1 TIP3 6072 61.560 79.568 38.093 1.00 0.00 WT1 H ATOM 18174 H2 TIP3 6072 62.137 78.310 38.707 1.00 0.00 WT1 H ATOM 18175 OH2 TIP3 6073 60.391 73.859 6.215 1.00 0.00 WT1 O ATOM 18176 H1 TIP3 6073 60.398 74.530 6.898 1.00 0.00 WT1 H ATOM 18177 H2 TIP3 6073 60.383 73.030 6.692 1.00 0.00 WT1 H ATOM 18178 OH2 TIP3 6074 52.603 25.337 -19.676 1.00 0.00 WT1 O ATOM 18179 H1 TIP3 6074 53.072 26.023 -19.201 1.00 0.00 WT1 H ATOM 18180 H2 TIP3 6074 51.735 25.707 -19.836 1.00 0.00 WT1 H ATOM 18181 OH2 TIP3 6075 43.952 67.835 54.345 1.00 0.00 WT1 O ATOM 18182 H1 TIP3 6075 44.185 68.535 53.736 1.00 0.00 WT1 H ATOM 18183 H2 TIP3 6075 44.787 67.549 54.714 1.00 0.00 WT1 H ATOM 18184 OH2 TIP3 6077 62.272 59.540 -12.946 1.00 0.00 WT1 O ATOM 18185 H1 TIP3 6077 61.884 58.945 -13.587 1.00 0.00 WT1 H ATOM 18186 H2 TIP3 6077 62.483 60.328 -13.446 1.00 0.00 WT1 H ATOM 18187 OH2 TIP3 6079 46.662 15.246 -14.857 1.00 0.00 WT1 O ATOM 18188 H1 TIP3 6079 47.560 15.335 -15.174 1.00 0.00 WT1 H ATOM 18189 H2 TIP3 6079 46.622 14.362 -14.492 1.00 0.00 WT1 H ATOM 18190 OH2 TIP3 6083 56.952 9.633 21.791 1.00 0.00 WT1 O ATOM 18191 H1 TIP3 6083 57.900 9.744 21.868 1.00 0.00 WT1 H ATOM 18192 H2 TIP3 6083 56.643 10.463 21.429 1.00 0.00 WT1 H ATOM 18193 OH2 TIP3 6084 60.094 47.216 13.330 1.00 0.00 WT1 O ATOM 18194 H1 TIP3 6084 59.295 46.726 13.135 1.00 0.00 WT1 H ATOM 18195 H2 TIP3 6084 59.907 47.659 14.158 1.00 0.00 WT1 H ATOM 18196 OH2 TIP3 6087 50.887 73.611 57.749 1.00 0.00 WT1 O ATOM 18197 H1 TIP3 6087 50.891 72.907 58.397 1.00 0.00 WT1 H ATOM 18198 H2 TIP3 6087 49.976 73.906 57.721 1.00 0.00 WT1 H ATOM 18199 OH2 TIP3 6088 41.603 14.813 54.295 1.00 0.00 WT1 O ATOM 18200 H1 TIP3 6088 41.495 15.207 55.161 1.00 0.00 WT1 H ATOM 18201 H2 TIP3 6088 42.027 15.494 53.773 1.00 0.00 WT1 H ATOM 18202 OH2 TIP3 6089 77.972 26.238 59.194 1.00 0.00 WT1 O ATOM 18203 H1 TIP3 6089 78.824 25.838 59.366 1.00 0.00 WT1 H ATOM 18204 H2 TIP3 6089 77.835 26.837 59.929 1.00 0.00 WT1 H ATOM 18205 OH2 TIP3 6090 89.450 24.526 -0.844 1.00 0.00 WT1 O ATOM 18206 H1 TIP3 6090 89.732 25.425 -0.678 1.00 0.00 WT1 H ATOM 18207 H2 TIP3 6090 88.494 24.567 -0.824 1.00 0.00 WT1 H ATOM 18208 OH2 TIP3 6091 32.854 45.273 57.712 1.00 0.00 WT1 O ATOM 18209 H1 TIP3 6091 33.736 45.525 57.439 1.00 0.00 WT1 H ATOM 18210 H2 TIP3 6091 32.642 45.877 58.424 1.00 0.00 WT1 H ATOM 18211 OH2 TIP3 6092 67.864 75.345 5.614 1.00 0.00 WT1 O ATOM 18212 H1 TIP3 6092 67.306 75.523 6.371 1.00 0.00 WT1 H ATOM 18213 H2 TIP3 6092 68.742 75.240 5.981 1.00 0.00 WT1 H ATOM 18214 OH2 TIP3 6093 33.949 69.407 59.338 1.00 0.00 WT1 O ATOM 18215 H1 TIP3 6093 33.463 68.621 59.092 1.00 0.00 WT1 H ATOM 18216 H2 TIP3 6093 34.243 69.238 60.234 1.00 0.00 WT1 H ATOM 18217 OH2 TIP3 6095 51.864 20.699 21.539 1.00 0.00 WT1 O ATOM 18218 H1 TIP3 6095 51.185 20.024 21.509 1.00 0.00 WT1 H ATOM 18219 H2 TIP3 6095 51.762 21.103 22.401 1.00 0.00 WT1 H ATOM 18220 OH2 TIP3 6096 47.006 9.316 58.998 1.00 0.00 WT1 O ATOM 18221 H1 TIP3 6096 46.145 9.092 59.351 1.00 0.00 WT1 H ATOM 18222 H2 TIP3 6096 47.619 9.078 59.693 1.00 0.00 WT1 H ATOM 18223 OH2 TIP3 6097 72.609 29.355 19.422 1.00 0.00 WT1 O ATOM 18224 H1 TIP3 6097 73.311 29.474 20.062 1.00 0.00 WT1 H ATOM 18225 H2 TIP3 6097 72.923 28.656 18.848 1.00 0.00 WT1 H ATOM 18226 OH2 TIP3 6098 38.207 54.289 60.866 1.00 0.00 WT1 O ATOM 18227 H1 TIP3 6098 37.299 54.501 61.082 1.00 0.00 WT1 H ATOM 18228 H2 TIP3 6098 38.320 53.386 61.162 1.00 0.00 WT1 H ATOM 18229 OH2 TIP3 6099 59.525 70.291 48.276 1.00 0.00 WT1 O ATOM 18230 H1 TIP3 6099 59.265 70.311 47.355 1.00 0.00 WT1 H ATOM 18231 H2 TIP3 6099 60.426 70.614 48.278 1.00 0.00 WT1 H ATOM 18232 OH2 TIP3 6101 82.164 40.765 5.496 1.00 0.00 WT1 O ATOM 18233 H1 TIP3 6101 83.075 40.576 5.721 1.00 0.00 WT1 H ATOM 18234 H2 TIP3 6101 82.147 40.756 4.539 1.00 0.00 WT1 H ATOM 18235 OH2 TIP3 6102 77.596 27.448 61.555 1.00 0.00 WT1 O ATOM 18236 H1 TIP3 6102 76.772 27.904 61.723 1.00 0.00 WT1 H ATOM 18237 H2 TIP3 6102 78.269 28.033 61.902 1.00 0.00 WT1 H ATOM 18238 OH2 TIP3 6105 75.395 74.831 21.025 1.00 0.00 WT1 O ATOM 18239 H1 TIP3 6105 76.212 75.183 21.377 1.00 0.00 WT1 H ATOM 18240 H2 TIP3 6105 75.407 73.905 21.268 1.00 0.00 WT1 H ATOM 18241 OH2 TIP3 6106 87.564 18.746 51.825 1.00 0.00 WT1 O ATOM 18242 H1 TIP3 6106 87.520 18.461 50.912 1.00 0.00 WT1 H ATOM 18243 H2 TIP3 6106 88.497 18.883 51.989 1.00 0.00 WT1 H ATOM 18244 OH2 TIP3 6108 86.676 21.706 43.968 1.00 0.00 WT1 O ATOM 18245 H1 TIP3 6108 86.127 22.312 43.470 1.00 0.00 WT1 H ATOM 18246 H2 TIP3 6108 86.972 21.064 43.321 1.00 0.00 WT1 H ATOM 18247 OH2 TIP3 6110 81.236 25.469 -19.636 1.00 0.00 WT1 O ATOM 18248 H1 TIP3 6110 81.754 25.006 -18.977 1.00 0.00 WT1 H ATOM 18249 H2 TIP3 6110 81.714 26.284 -19.788 1.00 0.00 WT1 H ATOM 18250 OH2 TIP3 6111 72.502 56.145 46.261 1.00 0.00 WT1 O ATOM 18251 H1 TIP3 6111 71.569 56.322 46.379 1.00 0.00 WT1 H ATOM 18252 H2 TIP3 6111 72.626 56.134 45.312 1.00 0.00 WT1 H ATOM 18253 OH2 TIP3 6112 22.182 86.406 -8.533 1.00 0.00 WT1 O ATOM 18254 H1 TIP3 6112 22.688 86.485 -9.342 1.00 0.00 WT1 H ATOM 18255 H2 TIP3 6112 22.593 85.682 -8.062 1.00 0.00 WT1 H ATOM 18256 OH2 TIP3 6113 41.272 57.625 18.200 1.00 0.00 WT1 O ATOM 18257 H1 TIP3 6113 40.632 58.303 17.980 1.00 0.00 WT1 H ATOM 18258 H2 TIP3 6113 42.092 57.935 17.815 1.00 0.00 WT1 H ATOM 18259 OH2 TIP3 6116 68.492 35.914 -16.097 1.00 0.00 WT1 O ATOM 18260 H1 TIP3 6116 67.800 35.678 -15.481 1.00 0.00 WT1 H ATOM 18261 H2 TIP3 6116 69.259 35.425 -15.796 1.00 0.00 WT1 H ATOM 18262 OH2 TIP3 6117 54.641 60.156 -12.495 1.00 0.00 WT1 O ATOM 18263 H1 TIP3 6117 55.394 59.799 -12.967 1.00 0.00 WT1 H ATOM 18264 H2 TIP3 6117 54.895 60.115 -11.573 1.00 0.00 WT1 H ATOM 18265 OH2 TIP3 6120 84.056 79.408 44.718 1.00 0.00 WT1 O ATOM 18266 H1 TIP3 6120 84.674 78.707 44.511 1.00 0.00 WT1 H ATOM 18267 H2 TIP3 6120 83.870 79.820 43.874 1.00 0.00 WT1 H ATOM 18268 OH2 TIP3 6122 62.790 60.780 39.267 1.00 0.00 WT1 O ATOM 18269 H1 TIP3 6122 62.183 61.279 39.814 1.00 0.00 WT1 H ATOM 18270 H2 TIP3 6122 62.241 60.131 38.828 1.00 0.00 WT1 H ATOM 18271 OH2 TIP3 6125 36.253 7.308 43.499 1.00 0.00 WT1 O ATOM 18272 H1 TIP3 6125 35.546 7.828 43.118 1.00 0.00 WT1 H ATOM 18273 H2 TIP3 6125 36.490 6.686 42.810 1.00 0.00 WT1 H ATOM 18274 OH2 TIP3 6126 47.355 89.788 14.987 1.00 0.00 WT1 O ATOM 18275 H1 TIP3 6126 46.691 89.424 15.573 1.00 0.00 WT1 H ATOM 18276 H2 TIP3 6126 48.175 89.707 15.474 1.00 0.00 WT1 H ATOM 18277 OH2 TIP3 6127 22.609 38.297 25.174 1.00 0.00 WT1 O ATOM 18278 H1 TIP3 6127 22.811 37.566 24.590 1.00 0.00 WT1 H ATOM 18279 H2 TIP3 6127 23.337 38.907 25.056 1.00 0.00 WT1 H ATOM 18280 OH2 TIP3 6130 44.075 52.461 27.221 1.00 0.00 WT1 O ATOM 18281 H1 TIP3 6130 43.753 52.028 26.430 1.00 0.00 WT1 H ATOM 18282 H2 TIP3 6130 45.008 52.597 27.058 1.00 0.00 WT1 H ATOM 18283 OH2 TIP3 6131 30.430 13.082 45.141 1.00 0.00 WT1 O ATOM 18284 H1 TIP3 6131 29.942 12.413 45.622 1.00 0.00 WT1 H ATOM 18285 H2 TIP3 6131 30.661 13.733 45.804 1.00 0.00 WT1 H ATOM 18286 OH2 TIP3 6132 42.899 51.054 35.310 1.00 0.00 WT1 O ATOM 18287 H1 TIP3 6132 43.848 51.023 35.184 1.00 0.00 WT1 H ATOM 18288 H2 TIP3 6132 42.705 51.982 35.443 1.00 0.00 WT1 H ATOM 18289 OH2 TIP3 6133 42.784 29.738 -8.650 1.00 0.00 WT1 O ATOM 18290 H1 TIP3 6133 42.174 30.387 -8.299 1.00 0.00 WT1 H ATOM 18291 H2 TIP3 6133 42.339 29.381 -9.418 1.00 0.00 WT1 H ATOM 18292 OH2 TIP3 6134 49.713 62.765 -12.945 1.00 0.00 WT1 O ATOM 18293 H1 TIP3 6134 48.805 63.068 -12.952 1.00 0.00 WT1 H ATOM 18294 H2 TIP3 6134 49.764 62.144 -13.672 1.00 0.00 WT1 H ATOM 18295 OH2 TIP3 6135 83.033 34.679 4.760 1.00 0.00 WT1 O ATOM 18296 H1 TIP3 6135 82.854 35.614 4.658 1.00 0.00 WT1 H ATOM 18297 H2 TIP3 6135 82.215 34.249 4.510 1.00 0.00 WT1 H ATOM 18298 OH2 TIP3 6136 53.543 12.030 22.463 1.00 0.00 WT1 O ATOM 18299 H1 TIP3 6136 53.083 12.835 22.228 1.00 0.00 WT1 H ATOM 18300 H2 TIP3 6136 52.980 11.328 22.137 1.00 0.00 WT1 H ATOM 18301 OH2 TIP3 6137 67.766 90.891 8.055 1.00 0.00 WT1 O ATOM 18302 H1 TIP3 6137 67.115 90.443 7.516 1.00 0.00 WT1 H ATOM 18303 H2 TIP3 6137 67.250 91.426 8.659 1.00 0.00 WT1 H ATOM 18304 OH2 TIP3 6138 41.448 22.640 -17.481 1.00 0.00 WT1 O ATOM 18305 H1 TIP3 6138 41.179 23.299 -18.121 1.00 0.00 WT1 H ATOM 18306 H2 TIP3 6138 41.049 21.827 -17.791 1.00 0.00 WT1 H ATOM 18307 OH2 TIP3 6139 21.814 90.423 -11.658 1.00 0.00 WT1 O ATOM 18308 H1 TIP3 6139 21.097 89.893 -11.309 1.00 0.00 WT1 H ATOM 18309 H2 TIP3 6139 22.423 90.516 -10.925 1.00 0.00 WT1 H ATOM 18310 OH2 TIP3 6141 68.416 56.768 -10.256 1.00 0.00 WT1 O ATOM 18311 H1 TIP3 6141 67.914 57.568 -10.414 1.00 0.00 WT1 H ATOM 18312 H2 TIP3 6141 67.824 56.209 -9.752 1.00 0.00 WT1 H ATOM 18313 OH2 TIP3 6144 70.190 6.995 -17.001 1.00 0.00 WT1 O ATOM 18314 H1 TIP3 6144 70.290 6.455 -17.785 1.00 0.00 WT1 H ATOM 18315 H2 TIP3 6144 70.950 6.779 -16.461 1.00 0.00 WT1 H ATOM 18316 OH2 TIP3 6146 39.441 79.021 62.774 1.00 0.00 WT1 O ATOM 18317 H1 TIP3 6146 39.252 79.404 63.631 1.00 0.00 WT1 H ATOM 18318 H2 TIP3 6146 39.092 78.132 62.827 1.00 0.00 WT1 H ATOM 18319 OH2 TIP3 6147 74.458 40.446 12.696 1.00 0.00 WT1 O ATOM 18320 H1 TIP3 6147 74.321 40.598 13.631 1.00 0.00 WT1 H ATOM 18321 H2 TIP3 6147 74.947 39.624 12.656 1.00 0.00 WT1 H ATOM 18322 OH2 TIP3 6148 85.587 43.957 67.283 1.00 0.00 WT1 O ATOM 18323 H1 TIP3 6148 86.415 44.173 67.711 1.00 0.00 WT1 H ATOM 18324 H2 TIP3 6148 85.546 44.544 66.528 1.00 0.00 WT1 H ATOM 18325 OH2 TIP3 6150 42.459 48.981 33.598 1.00 0.00 WT1 O ATOM 18326 H1 TIP3 6150 42.585 49.872 33.925 1.00 0.00 WT1 H ATOM 18327 H2 TIP3 6150 43.315 48.566 33.697 1.00 0.00 WT1 H ATOM 18328 OH2 TIP3 6151 89.260 42.734 22.120 1.00 0.00 WT1 O ATOM 18329 H1 TIP3 6151 88.347 43.014 22.056 1.00 0.00 WT1 H ATOM 18330 H2 TIP3 6151 89.720 43.265 21.470 1.00 0.00 WT1 H ATOM 18331 OH2 TIP3 6152 52.775 81.357 39.510 1.00 0.00 WT1 O ATOM 18332 H1 TIP3 6152 52.575 81.866 38.725 1.00 0.00 WT1 H ATOM 18333 H2 TIP3 6152 53.705 81.147 39.431 1.00 0.00 WT1 H ATOM 18334 OH2 TIP3 6153 36.248 63.790 3.068 1.00 0.00 WT1 O ATOM 18335 H1 TIP3 6153 36.646 62.920 3.045 1.00 0.00 WT1 H ATOM 18336 H2 TIP3 6153 35.478 63.687 3.627 1.00 0.00 WT1 H ATOM 18337 OH2 TIP3 6154 63.811 65.399 22.982 1.00 0.00 WT1 O ATOM 18338 H1 TIP3 6154 62.979 65.864 22.899 1.00 0.00 WT1 H ATOM 18339 H2 TIP3 6154 63.655 64.551 22.567 1.00 0.00 WT1 H ATOM 18340 OH2 TIP3 6155 89.277 42.980 38.953 1.00 0.00 WT1 O ATOM 18341 H1 TIP3 6155 88.999 42.120 39.267 1.00 0.00 WT1 H ATOM 18342 H2 TIP3 6155 89.144 42.944 38.006 1.00 0.00 WT1 H ATOM 18343 OH2 TIP3 6156 68.499 72.371 40.635 1.00 0.00 WT1 O ATOM 18344 H1 TIP3 6156 68.765 72.720 39.784 1.00 0.00 WT1 H ATOM 18345 H2 TIP3 6156 68.601 71.424 40.548 1.00 0.00 WT1 H ATOM 18346 OH2 TIP3 6157 24.875 31.605 40.462 1.00 0.00 WT1 O ATOM 18347 H1 TIP3 6157 24.233 32.158 40.015 1.00 0.00 WT1 H ATOM 18348 H2 TIP3 6157 25.143 30.966 39.801 1.00 0.00 WT1 H ATOM 18349 OH2 TIP3 6158 74.893 86.396 64.141 1.00 0.00 WT1 O ATOM 18350 H1 TIP3 6158 75.498 87.106 63.924 1.00 0.00 WT1 H ATOM 18351 H2 TIP3 6158 74.948 85.798 63.395 1.00 0.00 WT1 H ATOM 18352 OH2 TIP3 6159 21.733 79.489 53.634 1.00 0.00 WT1 O ATOM 18353 H1 TIP3 6159 22.448 79.339 54.251 1.00 0.00 WT1 H ATOM 18354 H2 TIP3 6159 21.037 78.899 53.925 1.00 0.00 WT1 H ATOM 18355 OH2 TIP3 6160 83.260 36.266 -0.273 1.00 0.00 WT1 O ATOM 18356 H1 TIP3 6160 82.458 36.385 0.237 1.00 0.00 WT1 H ATOM 18357 H2 TIP3 6160 83.716 35.545 0.162 1.00 0.00 WT1 H ATOM 18358 OH2 TIP3 6162 66.567 18.362 -4.868 1.00 0.00 WT1 O ATOM 18359 H1 TIP3 6162 67.327 17.780 -4.867 1.00 0.00 WT1 H ATOM 18360 H2 TIP3 6162 66.893 19.184 -5.234 1.00 0.00 WT1 H ATOM 18361 OH2 TIP3 6163 55.760 12.689 50.692 1.00 0.00 WT1 O ATOM 18362 H1 TIP3 6163 54.821 12.801 50.835 1.00 0.00 WT1 H ATOM 18363 H2 TIP3 6163 55.917 11.757 50.841 1.00 0.00 WT1 H ATOM 18364 OH2 TIP3 6164 61.689 74.614 30.308 1.00 0.00 WT1 O ATOM 18365 H1 TIP3 6164 61.210 74.572 31.135 1.00 0.00 WT1 H ATOM 18366 H2 TIP3 6164 61.271 73.953 29.755 1.00 0.00 WT1 H ATOM 18367 OH2 TIP3 6166 45.662 50.038 58.462 1.00 0.00 WT1 O ATOM 18368 H1 TIP3 6166 46.354 50.080 59.122 1.00 0.00 WT1 H ATOM 18369 H2 TIP3 6166 44.859 50.236 58.943 1.00 0.00 WT1 H ATOM 18370 OH2 TIP3 6167 74.035 50.014 21.019 1.00 0.00 WT1 O ATOM 18371 H1 TIP3 6167 73.737 49.589 20.215 1.00 0.00 WT1 H ATOM 18372 H2 TIP3 6167 74.679 50.659 20.725 1.00 0.00 WT1 H ATOM 18373 OH2 TIP3 6171 25.644 45.918 25.961 1.00 0.00 WT1 O ATOM 18374 H1 TIP3 6171 26.297 46.539 25.639 1.00 0.00 WT1 H ATOM 18375 H2 TIP3 6171 24.803 46.330 25.763 1.00 0.00 WT1 H ATOM 18376 OH2 TIP3 6172 30.850 53.594 54.481 1.00 0.00 WT1 O ATOM 18377 H1 TIP3 6172 30.426 54.450 54.426 1.00 0.00 WT1 H ATOM 18378 H2 TIP3 6172 31.493 53.600 53.772 1.00 0.00 WT1 H ATOM 18379 OH2 TIP3 6175 37.624 29.978 12.616 1.00 0.00 WT1 O ATOM 18380 H1 TIP3 6175 38.094 29.156 12.754 1.00 0.00 WT1 H ATOM 18381 H2 TIP3 6175 36.972 30.001 13.316 1.00 0.00 WT1 H ATOM 18382 OH2 TIP3 6176 55.044 16.936 0.810 1.00 0.00 WT1 O ATOM 18383 H1 TIP3 6176 55.500 17.777 0.842 1.00 0.00 WT1 H ATOM 18384 H2 TIP3 6176 54.855 16.801 -0.118 1.00 0.00 WT1 H ATOM 18385 OH2 TIP3 6177 38.623 10.729 42.374 1.00 0.00 WT1 O ATOM 18386 H1 TIP3 6177 39.110 11.324 41.804 1.00 0.00 WT1 H ATOM 18387 H2 TIP3 6177 39.148 10.679 43.173 1.00 0.00 WT1 H ATOM 18388 OH2 TIP3 6178 67.729 78.968 66.786 1.00 0.00 WT1 O ATOM 18389 H1 TIP3 6178 67.681 78.977 67.742 1.00 0.00 WT1 H ATOM 18390 H2 TIP3 6178 68.637 78.736 66.593 1.00 0.00 WT1 H ATOM 18391 OH2 TIP3 6180 87.626 47.728 0.660 1.00 0.00 WT1 O ATOM 18392 H1 TIP3 6180 87.972 47.681 1.551 1.00 0.00 WT1 H ATOM 18393 H2 TIP3 6180 86.808 47.232 0.694 1.00 0.00 WT1 H ATOM 18394 OH2 TIP3 6181 61.092 89.029 -14.714 1.00 0.00 WT1 O ATOM 18395 H1 TIP3 6181 61.373 89.749 -15.279 1.00 0.00 WT1 H ATOM 18396 H2 TIP3 6181 60.883 89.446 -13.878 1.00 0.00 WT1 H ATOM 18397 OH2 TIP3 6182 33.566 57.516 11.043 1.00 0.00 WT1 O ATOM 18398 H1 TIP3 6182 32.988 57.833 11.737 1.00 0.00 WT1 H ATOM 18399 H2 TIP3 6182 33.481 56.563 11.078 1.00 0.00 WT1 H ATOM 18400 OH2 TIP3 6183 22.106 10.334 52.583 1.00 0.00 WT1 O ATOM 18401 H1 TIP3 6183 22.997 10.045 52.780 1.00 0.00 WT1 H ATOM 18402 H2 TIP3 6183 22.150 11.290 52.620 1.00 0.00 WT1 H ATOM 18403 OH2 TIP3 6184 86.471 1.041 47.165 1.00 0.00 WT1 O ATOM 18404 H1 TIP3 6184 85.750 1.212 46.560 1.00 0.00 WT1 H ATOM 18405 H2 TIP3 6184 86.047 0.912 48.013 1.00 0.00 WT1 H ATOM 18406 OH2 TIP3 6186 46.767 44.036 2.274 1.00 0.00 WT1 O ATOM 18407 H1 TIP3 6186 47.022 44.715 1.650 1.00 0.00 WT1 H ATOM 18408 H2 TIP3 6186 47.536 43.470 2.340 1.00 0.00 WT1 H ATOM 18409 OH2 TIP3 6187 38.705 89.393 17.651 1.00 0.00 WT1 O ATOM 18410 H1 TIP3 6187 39.241 90.159 17.445 1.00 0.00 WT1 H ATOM 18411 H2 TIP3 6187 39.324 88.663 17.664 1.00 0.00 WT1 H ATOM 18412 OH2 TIP3 6188 59.289 10.107 32.914 1.00 0.00 WT1 O ATOM 18413 H1 TIP3 6188 59.053 11.014 32.718 1.00 0.00 WT1 H ATOM 18414 H2 TIP3 6188 58.854 9.594 32.233 1.00 0.00 WT1 H ATOM 18415 OH2 TIP3 6189 31.064 81.024 -0.146 1.00 0.00 WT1 O ATOM 18416 H1 TIP3 6189 31.991 80.837 -0.300 1.00 0.00 WT1 H ATOM 18417 H2 TIP3 6189 30.863 80.574 0.675 1.00 0.00 WT1 H ATOM 18418 OH2 TIP3 6191 73.157 41.860 51.659 1.00 0.00 WT1 O ATOM 18419 H1 TIP3 6191 73.181 41.470 52.533 1.00 0.00 WT1 H ATOM 18420 H2 TIP3 6191 73.598 41.222 51.099 1.00 0.00 WT1 H ATOM 18421 OH2 TIP3 6192 80.229 17.484 3.309 1.00 0.00 WT1 O ATOM 18422 H1 TIP3 6192 79.281 17.399 3.410 1.00 0.00 WT1 H ATOM 18423 H2 TIP3 6192 80.464 18.230 3.861 1.00 0.00 WT1 H ATOM 18424 OH2 TIP3 6193 23.734 79.311 6.855 1.00 0.00 WT1 O ATOM 18425 H1 TIP3 6193 23.754 79.009 5.947 1.00 0.00 WT1 H ATOM 18426 H2 TIP3 6193 24.444 78.831 7.282 1.00 0.00 WT1 H ATOM 18427 OH2 TIP3 6194 80.328 50.315 -16.118 1.00 0.00 WT1 O ATOM 18428 H1 TIP3 6194 81.166 50.257 -15.658 1.00 0.00 WT1 H ATOM 18429 H2 TIP3 6194 79.905 51.090 -15.749 1.00 0.00 WT1 H ATOM 18430 OH2 TIP3 6195 20.164 78.360 -6.744 1.00 0.00 WT1 O ATOM 18431 H1 TIP3 6195 20.469 78.512 -5.849 1.00 0.00 WT1 H ATOM 18432 H2 TIP3 6195 20.872 77.869 -7.159 1.00 0.00 WT1 H ATOM 18433 OH2 TIP3 6196 43.952 23.592 55.889 1.00 0.00 WT1 O ATOM 18434 H1 TIP3 6196 43.284 23.412 56.551 1.00 0.00 WT1 H ATOM 18435 H2 TIP3 6196 44.266 24.471 56.098 1.00 0.00 WT1 H ATOM 18436 OH2 TIP3 6197 73.519 56.526 -17.909 1.00 0.00 WT1 O ATOM 18437 H1 TIP3 6197 73.778 57.161 -17.241 1.00 0.00 WT1 H ATOM 18438 H2 TIP3 6197 74.254 56.509 -18.522 1.00 0.00 WT1 H ATOM 18439 OH2 TIP3 6198 87.415 2.208 10.005 1.00 0.00 WT1 O ATOM 18440 H1 TIP3 6198 87.801 2.195 9.129 1.00 0.00 WT1 H ATOM 18441 H2 TIP3 6198 87.049 1.330 10.119 1.00 0.00 WT1 H ATOM 18442 OH2 TIP3 6199 49.636 56.538 -4.072 1.00 0.00 WT1 O ATOM 18443 H1 TIP3 6199 49.613 56.945 -3.207 1.00 0.00 WT1 H ATOM 18444 H2 TIP3 6199 48.900 55.925 -4.069 1.00 0.00 WT1 H ATOM 18445 OH2 TIP3 6200 86.877 57.307 56.982 1.00 0.00 WT1 O ATOM 18446 H1 TIP3 6200 86.929 56.773 57.775 1.00 0.00 WT1 H ATOM 18447 H2 TIP3 6200 87.611 57.918 57.056 1.00 0.00 WT1 H ATOM 18448 OH2 TIP3 6201 52.032 8.503 -16.718 1.00 0.00 WT1 O ATOM 18449 H1 TIP3 6201 51.922 7.863 -17.422 1.00 0.00 WT1 H ATOM 18450 H2 TIP3 6201 51.880 8.005 -15.915 1.00 0.00 WT1 H ATOM 18451 OH2 TIP3 6202 54.556 30.092 44.802 1.00 0.00 WT1 O ATOM 18452 H1 TIP3 6202 55.500 30.150 44.657 1.00 0.00 WT1 H ATOM 18453 H2 TIP3 6202 54.190 30.819 44.297 1.00 0.00 WT1 H ATOM 18454 OH2 TIP3 6203 51.454 20.842 -2.558 1.00 0.00 WT1 O ATOM 18455 H1 TIP3 6203 50.977 21.037 -3.365 1.00 0.00 WT1 H ATOM 18456 H2 TIP3 6203 50.997 21.342 -1.882 1.00 0.00 WT1 H ATOM 18457 OH2 TIP3 6204 49.665 12.788 27.732 1.00 0.00 WT1 O ATOM 18458 H1 TIP3 6204 50.294 13.485 27.919 1.00 0.00 WT1 H ATOM 18459 H2 TIP3 6204 48.814 13.166 27.955 1.00 0.00 WT1 H ATOM 18460 OH2 TIP3 6205 55.543 92.082 -8.901 1.00 0.00 WT1 O ATOM 18461 H1 TIP3 6205 54.714 91.646 -9.097 1.00 0.00 WT1 H ATOM 18462 H2 TIP3 6205 56.033 91.444 -8.382 1.00 0.00 WT1 H ATOM 18463 OH2 TIP3 6207 84.163 92.953 -10.496 1.00 0.00 WT1 O ATOM 18464 H1 TIP3 6207 84.443 92.733 -11.385 1.00 0.00 WT1 H ATOM 18465 H2 TIP3 6207 84.919 92.743 -9.948 1.00 0.00 WT1 H ATOM 18466 OH2 TIP3 6208 29.641 39.814 23.606 1.00 0.00 WT1 O ATOM 18467 H1 TIP3 6208 30.594 39.749 23.655 1.00 0.00 WT1 H ATOM 18468 H2 TIP3 6208 29.480 40.506 22.963 1.00 0.00 WT1 H ATOM 18469 OH2 TIP3 6209 53.280 54.370 20.501 1.00 0.00 WT1 O ATOM 18470 H1 TIP3 6209 53.743 53.946 19.779 1.00 0.00 WT1 H ATOM 18471 H2 TIP3 6209 52.886 55.149 20.108 1.00 0.00 WT1 H ATOM 18472 OH2 TIP3 6210 89.052 49.339 10.728 1.00 0.00 WT1 O ATOM 18473 H1 TIP3 6210 89.396 48.670 10.135 1.00 0.00 WT1 H ATOM 18474 H2 TIP3 6210 89.319 49.048 11.599 1.00 0.00 WT1 H ATOM 18475 OH2 TIP3 6211 34.662 63.205 9.459 1.00 0.00 WT1 O ATOM 18476 H1 TIP3 6211 35.563 63.179 9.137 1.00 0.00 WT1 H ATOM 18477 H2 TIP3 6211 34.625 63.990 10.006 1.00 0.00 WT1 H ATOM 18478 OH2 TIP3 6212 87.112 36.723 25.500 1.00 0.00 WT1 O ATOM 18479 H1 TIP3 6212 87.692 37.267 24.967 1.00 0.00 WT1 H ATOM 18480 H2 TIP3 6212 86.319 37.249 25.606 1.00 0.00 WT1 H ATOM 18481 OH2 TIP3 6213 38.518 78.446 48.146 1.00 0.00 WT1 O ATOM 18482 H1 TIP3 6213 38.415 77.663 47.605 1.00 0.00 WT1 H ATOM 18483 H2 TIP3 6213 38.265 79.170 47.572 1.00 0.00 WT1 H ATOM 18484 OH2 TIP3 6214 52.920 37.738 63.541 1.00 0.00 WT1 O ATOM 18485 H1 TIP3 6214 53.466 36.963 63.410 1.00 0.00 WT1 H ATOM 18486 H2 TIP3 6214 52.375 37.783 62.755 1.00 0.00 WT1 H ATOM 18487 OH2 TIP3 6215 77.687 73.310 15.079 1.00 0.00 WT1 O ATOM 18488 H1 TIP3 6215 77.472 74.073 14.543 1.00 0.00 WT1 H ATOM 18489 H2 TIP3 6215 77.543 72.562 14.501 1.00 0.00 WT1 H ATOM 18490 OH2 TIP3 6216 85.447 79.147 39.132 1.00 0.00 WT1 O ATOM 18491 H1 TIP3 6216 85.908 79.472 39.906 1.00 0.00 WT1 H ATOM 18492 H2 TIP3 6216 84.528 79.112 39.398 1.00 0.00 WT1 H ATOM 18493 OH2 TIP3 6217 62.597 8.486 47.532 1.00 0.00 WT1 O ATOM 18494 H1 TIP3 6217 63.097 7.716 47.265 1.00 0.00 WT1 H ATOM 18495 H2 TIP3 6217 61.728 8.352 47.153 1.00 0.00 WT1 H ATOM 18496 OH2 TIP3 6218 29.855 82.503 -9.606 1.00 0.00 WT1 O ATOM 18497 H1 TIP3 6218 29.945 83.251 -10.196 1.00 0.00 WT1 H ATOM 18498 H2 TIP3 6218 30.698 82.449 -9.155 1.00 0.00 WT1 H ATOM 18499 OH2 TIP3 6219 41.281 53.067 46.403 1.00 0.00 WT1 O ATOM 18500 H1 TIP3 6219 42.095 53.366 45.998 1.00 0.00 WT1 H ATOM 18501 H2 TIP3 6219 40.619 53.179 45.722 1.00 0.00 WT1 H ATOM 18502 OH2 TIP3 6220 87.328 80.107 5.159 1.00 0.00 WT1 O ATOM 18503 H1 TIP3 6220 86.777 79.421 5.536 1.00 0.00 WT1 H ATOM 18504 H2 TIP3 6220 87.647 80.600 5.915 1.00 0.00 WT1 H ATOM 18505 OH2 TIP3 6221 84.443 56.662 14.432 1.00 0.00 WT1 O ATOM 18506 H1 TIP3 6221 84.418 57.246 13.673 1.00 0.00 WT1 H ATOM 18507 H2 TIP3 6221 83.525 56.549 14.678 1.00 0.00 WT1 H ATOM 18508 OH2 TIP3 6223 78.207 88.653 8.160 1.00 0.00 WT1 O ATOM 18509 H1 TIP3 6223 77.987 88.725 7.231 1.00 0.00 WT1 H ATOM 18510 H2 TIP3 6223 77.363 88.675 8.610 1.00 0.00 WT1 H ATOM 18511 OH2 TIP3 6224 60.242 94.906 63.273 1.00 0.00 WT1 O ATOM 18512 H1 TIP3 6224 59.350 94.602 63.437 1.00 0.00 WT1 H ATOM 18513 H2 TIP3 6224 60.797 94.169 63.526 1.00 0.00 WT1 H ATOM 18514 OH2 TIP3 6225 66.848 25.116 22.549 1.00 0.00 WT1 O ATOM 18515 H1 TIP3 6225 66.679 25.609 23.352 1.00 0.00 WT1 H ATOM 18516 H2 TIP3 6225 67.020 24.223 22.848 1.00 0.00 WT1 H ATOM 18517 OH2 TIP3 6227 87.941 21.219 -18.894 1.00 0.00 WT1 O ATOM 18518 H1 TIP3 6227 88.151 21.748 -18.125 1.00 0.00 WT1 H ATOM 18519 H2 TIP3 6227 87.241 21.702 -19.333 1.00 0.00 WT1 H ATOM 18520 OH2 TIP3 6228 38.187 10.940 24.595 1.00 0.00 WT1 O ATOM 18521 H1 TIP3 6228 37.546 11.629 24.768 1.00 0.00 WT1 H ATOM 18522 H2 TIP3 6228 38.742 10.928 25.375 1.00 0.00 WT1 H ATOM 18523 OH2 TIP3 6229 75.225 86.674 18.782 1.00 0.00 WT1 O ATOM 18524 H1 TIP3 6229 74.352 86.899 18.460 1.00 0.00 WT1 H ATOM 18525 H2 TIP3 6229 75.087 85.901 19.330 1.00 0.00 WT1 H ATOM 18526 OH2 TIP3 6230 70.777 55.687 29.167 1.00 0.00 WT1 O ATOM 18527 H1 TIP3 6230 70.266 54.895 29.330 1.00 0.00 WT1 H ATOM 18528 H2 TIP3 6230 70.232 56.207 28.576 1.00 0.00 WT1 H ATOM 18529 OH2 TIP3 6231 49.500 19.591 57.390 1.00 0.00 WT1 O ATOM 18530 H1 TIP3 6231 49.479 18.806 56.841 1.00 0.00 WT1 H ATOM 18531 H2 TIP3 6231 50.230 20.105 57.045 1.00 0.00 WT1 H ATOM 18532 OH2 TIP3 6232 54.516 44.649 60.931 1.00 0.00 WT1 O ATOM 18533 H1 TIP3 6232 55.229 45.255 60.728 1.00 0.00 WT1 H ATOM 18534 H2 TIP3 6232 53.835 45.201 61.314 1.00 0.00 WT1 H ATOM 18535 OH2 TIP3 6233 49.903 12.053 18.196 1.00 0.00 WT1 O ATOM 18536 H1 TIP3 6233 49.190 12.686 18.283 1.00 0.00 WT1 H ATOM 18537 H2 TIP3 6233 50.673 12.584 17.994 1.00 0.00 WT1 H ATOM 18538 OH2 TIP3 6234 47.234 51.020 44.378 1.00 0.00 WT1 O ATOM 18539 H1 TIP3 6234 47.090 50.276 43.793 1.00 0.00 WT1 H ATOM 18540 H2 TIP3 6234 46.703 51.724 44.007 1.00 0.00 WT1 H ATOM 18541 OH2 TIP3 6235 86.708 38.757 -5.922 1.00 0.00 WT1 O ATOM 18542 H1 TIP3 6235 87.192 38.848 -5.101 1.00 0.00 WT1 H ATOM 18543 H2 TIP3 6235 87.275 38.221 -6.477 1.00 0.00 WT1 H ATOM 18544 OH2 TIP3 6236 49.807 10.265 26.775 1.00 0.00 WT1 O ATOM 18545 H1 TIP3 6236 49.113 10.254 26.116 1.00 0.00 WT1 H ATOM 18546 H2 TIP3 6236 49.712 11.112 27.210 1.00 0.00 WT1 H ATOM 18547 OH2 TIP3 6237 55.036 12.420 45.751 1.00 0.00 WT1 O ATOM 18548 H1 TIP3 6237 54.431 12.277 46.479 1.00 0.00 WT1 H ATOM 18549 H2 TIP3 6237 55.905 12.402 46.153 1.00 0.00 WT1 H ATOM 18550 OH2 TIP3 6238 53.931 11.304 3.268 1.00 0.00 WT1 O ATOM 18551 H1 TIP3 6238 54.413 11.330 4.095 1.00 0.00 WT1 H ATOM 18552 H2 TIP3 6238 53.132 10.817 3.470 1.00 0.00 WT1 H ATOM 18553 OH2 TIP3 6239 61.258 32.263 -4.878 1.00 0.00 WT1 O ATOM 18554 H1 TIP3 6239 60.321 32.185 -5.054 1.00 0.00 WT1 H ATOM 18555 H2 TIP3 6239 61.524 33.059 -5.338 1.00 0.00 WT1 H ATOM 18556 OH2 TIP3 6240 87.903 81.347 38.207 1.00 0.00 WT1 O ATOM 18557 H1 TIP3 6240 88.789 81.361 37.847 1.00 0.00 WT1 H ATOM 18558 H2 TIP3 6240 87.841 80.507 38.661 1.00 0.00 WT1 H ATOM 18559 OH2 TIP3 6241 38.111 3.734 31.589 1.00 0.00 WT1 O ATOM 18560 H1 TIP3 6241 37.906 4.619 31.890 1.00 0.00 WT1 H ATOM 18561 H2 TIP3 6241 39.012 3.585 31.877 1.00 0.00 WT1 H ATOM 18562 OH2 TIP3 6242 83.989 23.277 5.811 1.00 0.00 WT1 O ATOM 18563 H1 TIP3 6242 84.463 22.453 5.702 1.00 0.00 WT1 H ATOM 18564 H2 TIP3 6242 84.123 23.512 6.729 1.00 0.00 WT1 H ATOM 18565 OH2 TIP3 6243 28.182 0.430 -7.086 1.00 0.00 WT1 O ATOM 18566 H1 TIP3 6243 27.276 0.611 -6.836 1.00 0.00 WT1 H ATOM 18567 H2 TIP3 6243 28.284 -0.513 -6.957 1.00 0.00 WT1 H ATOM 18568 OH2 TIP3 6245 78.161 35.793 48.253 1.00 0.00 WT1 O ATOM 18569 H1 TIP3 6245 78.609 35.651 47.419 1.00 0.00 WT1 H ATOM 18570 H2 TIP3 6245 77.961 36.729 48.262 1.00 0.00 WT1 H ATOM 18571 OH2 TIP3 6246 33.724 10.793 -17.526 1.00 0.00 WT1 O ATOM 18572 H1 TIP3 6246 32.797 11.022 -17.456 1.00 0.00 WT1 H ATOM 18573 H2 TIP3 6246 33.918 10.861 -18.460 1.00 0.00 WT1 H ATOM 18574 OH2 TIP3 6248 52.357 82.713 22.337 1.00 0.00 WT1 O ATOM 18575 H1 TIP3 6248 52.317 83.201 23.159 1.00 0.00 WT1 H ATOM 18576 H2 TIP3 6248 53.040 83.152 21.830 1.00 0.00 WT1 H ATOM 18577 OH2 TIP3 6249 60.997 94.188 -12.814 1.00 0.00 WT1 O ATOM 18578 H1 TIP3 6249 60.430 93.686 -13.400 1.00 0.00 WT1 H ATOM 18579 H2 TIP3 6249 60.870 93.785 -11.955 1.00 0.00 WT1 H ATOM 18580 OH2 TIP3 6250 52.637 24.423 22.706 1.00 0.00 WT1 O ATOM 18581 H1 TIP3 6250 52.624 24.327 23.658 1.00 0.00 WT1 H ATOM 18582 H2 TIP3 6250 52.441 25.347 22.555 1.00 0.00 WT1 H ATOM 18583 OH2 TIP3 6251 20.155 71.031 37.786 1.00 0.00 WT1 O ATOM 18584 H1 TIP3 6251 20.509 70.780 36.933 1.00 0.00 WT1 H ATOM 18585 H2 TIP3 6251 20.927 71.171 38.335 1.00 0.00 WT1 H ATOM 18586 OH2 TIP3 6252 82.112 27.632 -7.716 1.00 0.00 WT1 O ATOM 18587 H1 TIP3 6252 82.644 27.799 -8.494 1.00 0.00 WT1 H ATOM 18588 H2 TIP3 6252 82.611 28.019 -6.997 1.00 0.00 WT1 H ATOM 18589 OH2 TIP3 6253 34.860 91.692 35.524 1.00 0.00 WT1 O ATOM 18590 H1 TIP3 6253 34.661 91.323 36.385 1.00 0.00 WT1 H ATOM 18591 H2 TIP3 6253 35.811 91.798 35.523 1.00 0.00 WT1 H ATOM 18592 OH2 TIP3 6254 59.349 82.667 38.101 1.00 0.00 WT1 O ATOM 18593 H1 TIP3 6254 59.780 82.661 37.246 1.00 0.00 WT1 H ATOM 18594 H2 TIP3 6254 60.058 82.525 38.728 1.00 0.00 WT1 H ATOM 18595 OH2 TIP3 6255 70.902 77.669 37.981 1.00 0.00 WT1 O ATOM 18596 H1 TIP3 6255 71.041 76.750 38.210 1.00 0.00 WT1 H ATOM 18597 H2 TIP3 6255 70.918 77.682 37.024 1.00 0.00 WT1 H ATOM 18598 OH2 TIP3 6256 38.904 58.190 60.846 1.00 0.00 WT1 O ATOM 18599 H1 TIP3 6256 38.230 58.191 60.167 1.00 0.00 WT1 H ATOM 18600 H2 TIP3 6256 39.617 57.669 60.477 1.00 0.00 WT1 H ATOM 18601 OH2 TIP3 6257 48.900 89.750 -0.602 1.00 0.00 WT1 O ATOM 18602 H1 TIP3 6257 48.607 90.210 0.185 1.00 0.00 WT1 H ATOM 18603 H2 TIP3 6257 49.337 88.965 -0.272 1.00 0.00 WT1 H ATOM 18604 OH2 TIP3 6258 49.267 29.425 37.817 1.00 0.00 WT1 O ATOM 18605 H1 TIP3 6258 48.605 29.546 38.497 1.00 0.00 WT1 H ATOM 18606 H2 TIP3 6258 49.541 28.512 37.908 1.00 0.00 WT1 H ATOM 18607 OH2 TIP3 6260 41.095 43.279 0.476 1.00 0.00 WT1 O ATOM 18608 H1 TIP3 6260 41.371 42.474 0.038 1.00 0.00 WT1 H ATOM 18609 H2 TIP3 6260 40.498 42.987 1.164 1.00 0.00 WT1 H ATOM 18610 OH2 TIP3 6261 52.722 45.744 53.980 1.00 0.00 WT1 O ATOM 18611 H1 TIP3 6261 53.164 46.560 54.217 1.00 0.00 WT1 H ATOM 18612 H2 TIP3 6261 51.795 45.977 53.936 1.00 0.00 WT1 H ATOM 18613 OH2 TIP3 6262 56.861 20.446 8.755 1.00 0.00 WT1 O ATOM 18614 H1 TIP3 6262 56.324 19.732 8.412 1.00 0.00 WT1 H ATOM 18615 H2 TIP3 6262 56.234 21.041 9.165 1.00 0.00 WT1 H ATOM 18616 OH2 TIP3 6263 37.910 7.570 53.819 1.00 0.00 WT1 O ATOM 18617 H1 TIP3 6263 38.276 7.972 54.607 1.00 0.00 WT1 H ATOM 18618 H2 TIP3 6263 38.092 8.200 53.122 1.00 0.00 WT1 H ATOM 18619 OH2 TIP3 6264 86.726 24.382 -14.037 1.00 0.00 WT1 O ATOM 18620 H1 TIP3 6264 87.261 24.831 -13.383 1.00 0.00 WT1 H ATOM 18621 H2 TIP3 6264 87.130 23.518 -14.125 1.00 0.00 WT1 H ATOM 18622 OH2 TIP3 6266 37.950 7.835 45.520 1.00 0.00 WT1 O ATOM 18623 H1 TIP3 6266 37.562 8.662 45.807 1.00 0.00 WT1 H ATOM 18624 H2 TIP3 6266 37.582 7.687 44.648 1.00 0.00 WT1 H ATOM 18625 OH2 TIP3 6267 65.731 9.088 -18.400 1.00 0.00 WT1 O ATOM 18626 H1 TIP3 6267 65.380 8.759 -17.572 1.00 0.00 WT1 H ATOM 18627 H2 TIP3 6267 66.644 9.299 -18.206 1.00 0.00 WT1 H ATOM 18628 OH2 TIP3 6268 22.735 8.286 -12.084 1.00 0.00 WT1 O ATOM 18629 H1 TIP3 6268 22.424 7.397 -12.258 1.00 0.00 WT1 H ATOM 18630 H2 TIP3 6268 22.169 8.847 -12.614 1.00 0.00 WT1 H ATOM 18631 OH2 TIP3 6269 26.672 2.903 7.458 1.00 0.00 WT1 O ATOM 18632 H1 TIP3 6269 25.984 3.141 8.080 1.00 0.00 WT1 H ATOM 18633 H2 TIP3 6269 26.445 2.017 7.178 1.00 0.00 WT1 H ATOM 18634 OH2 TIP3 6270 57.719 93.868 29.082 1.00 0.00 WT1 O ATOM 18635 H1 TIP3 6270 57.670 94.278 28.218 1.00 0.00 WT1 H ATOM 18636 H2 TIP3 6270 57.360 94.523 29.679 1.00 0.00 WT1 H ATOM 18637 OH2 TIP3 6271 59.519 15.560 -17.772 1.00 0.00 WT1 O ATOM 18638 H1 TIP3 6271 59.686 14.902 -17.097 1.00 0.00 WT1 H ATOM 18639 H2 TIP3 6271 60.354 15.651 -18.231 1.00 0.00 WT1 H ATOM 18640 OH2 TIP3 6272 33.156 -0.099 -7.411 1.00 0.00 WT1 O ATOM 18641 H1 TIP3 6272 33.422 -0.221 -6.500 1.00 0.00 WT1 H ATOM 18642 H2 TIP3 6272 32.590 0.672 -7.395 1.00 0.00 WT1 H ATOM 18643 OH2 TIP3 6273 71.823 48.023 25.523 1.00 0.00 WT1 O ATOM 18644 H1 TIP3 6273 71.740 47.135 25.873 1.00 0.00 WT1 H ATOM 18645 H2 TIP3 6273 70.924 48.351 25.487 1.00 0.00 WT1 H ATOM 18646 OH2 TIP3 6274 76.561 17.774 50.768 1.00 0.00 WT1 O ATOM 18647 H1 TIP3 6274 75.805 17.268 51.067 1.00 0.00 WT1 H ATOM 18648 H2 TIP3 6274 76.991 17.206 50.128 1.00 0.00 WT1 H ATOM 18649 OH2 TIP3 6275 38.490 80.924 3.678 1.00 0.00 WT1 O ATOM 18650 H1 TIP3 6275 37.736 80.784 3.105 1.00 0.00 WT1 H ATOM 18651 H2 TIP3 6275 39.124 81.388 3.131 1.00 0.00 WT1 H ATOM 18652 OH2 TIP3 6276 72.517 70.556 61.047 1.00 0.00 WT1 O ATOM 18653 H1 TIP3 6276 73.397 70.843 61.291 1.00 0.00 WT1 H ATOM 18654 H2 TIP3 6276 72.626 70.150 60.187 1.00 0.00 WT1 H ATOM 18655 OH2 TIP3 6278 54.602 3.168 30.284 1.00 0.00 WT1 O ATOM 18656 H1 TIP3 6278 54.446 2.278 30.600 1.00 0.00 WT1 H ATOM 18657 H2 TIP3 6278 54.038 3.252 29.515 1.00 0.00 WT1 H ATOM 18658 OH2 TIP3 6279 23.694 39.978 -1.011 1.00 0.00 WT1 O ATOM 18659 H1 TIP3 6279 24.646 40.076 -1.042 1.00 0.00 WT1 H ATOM 18660 H2 TIP3 6279 23.522 39.155 -1.468 1.00 0.00 WT1 H ATOM 18661 OH2 TIP3 6280 57.586 89.658 31.416 1.00 0.00 WT1 O ATOM 18662 H1 TIP3 6280 57.208 88.881 31.004 1.00 0.00 WT1 H ATOM 18663 H2 TIP3 6280 56.926 90.340 31.294 1.00 0.00 WT1 H ATOM 18664 OH2 TIP3 6281 22.716 26.919 66.743 1.00 0.00 WT1 O ATOM 18665 H1 TIP3 6281 23.474 26.351 66.879 1.00 0.00 WT1 H ATOM 18666 H2 TIP3 6281 23.004 27.549 66.082 1.00 0.00 WT1 H ATOM 18667 OH2 TIP3 6282 65.964 28.516 64.110 1.00 0.00 WT1 O ATOM 18668 H1 TIP3 6282 66.398 29.289 63.747 1.00 0.00 WT1 H ATOM 18669 H2 TIP3 6282 65.665 28.794 64.976 1.00 0.00 WT1 H ATOM 18670 OH2 TIP3 6283 44.193 58.026 -15.132 1.00 0.00 WT1 O ATOM 18671 H1 TIP3 6283 43.250 57.873 -15.077 1.00 0.00 WT1 H ATOM 18672 H2 TIP3 6283 44.286 58.977 -15.070 1.00 0.00 WT1 H ATOM 18673 OH2 TIP3 6284 75.509 73.573 52.139 1.00 0.00 WT1 O ATOM 18674 H1 TIP3 6284 75.353 74.303 51.540 1.00 0.00 WT1 H ATOM 18675 H2 TIP3 6284 75.696 72.829 51.568 1.00 0.00 WT1 H ATOM 18676 OH2 TIP3 6285 68.574 12.025 13.731 1.00 0.00 WT1 O ATOM 18677 H1 TIP3 6285 69.337 12.309 13.227 1.00 0.00 WT1 H ATOM 18678 H2 TIP3 6285 67.957 12.753 13.664 1.00 0.00 WT1 H ATOM 18679 OH2 TIP3 6286 53.257 86.796 45.132 1.00 0.00 WT1 O ATOM 18680 H1 TIP3 6286 52.755 87.497 44.716 1.00 0.00 WT1 H ATOM 18681 H2 TIP3 6286 53.471 86.197 44.417 1.00 0.00 WT1 H ATOM 18682 OH2 TIP3 6287 23.482 20.832 6.706 1.00 0.00 WT1 O ATOM 18683 H1 TIP3 6287 24.066 20.228 6.246 1.00 0.00 WT1 H ATOM 18684 H2 TIP3 6287 23.650 21.683 6.300 1.00 0.00 WT1 H ATOM 18685 OH2 TIP3 6288 67.931 3.441 25.791 1.00 0.00 WT1 O ATOM 18686 H1 TIP3 6288 68.073 3.670 24.873 1.00 0.00 WT1 H ATOM 18687 H2 TIP3 6288 68.334 4.158 26.282 1.00 0.00 WT1 H ATOM 18688 OH2 TIP3 6289 26.025 24.569 -11.235 1.00 0.00 WT1 O ATOM 18689 H1 TIP3 6289 26.243 24.264 -10.354 1.00 0.00 WT1 H ATOM 18690 H2 TIP3 6289 25.215 25.067 -11.123 1.00 0.00 WT1 H ATOM 18691 OH2 TIP3 6290 52.237 28.503 -7.485 1.00 0.00 WT1 O ATOM 18692 H1 TIP3 6290 52.208 29.312 -6.974 1.00 0.00 WT1 H ATOM 18693 H2 TIP3 6290 51.467 28.550 -8.053 1.00 0.00 WT1 H ATOM 18694 OH2 TIP3 6291 79.508 17.233 37.796 1.00 0.00 WT1 O ATOM 18695 H1 TIP3 6291 79.902 17.804 38.455 1.00 0.00 WT1 H ATOM 18696 H2 TIP3 6291 80.158 16.544 37.656 1.00 0.00 WT1 H ATOM 18697 OH2 TIP3 6292 58.023 16.677 -0.814 1.00 0.00 WT1 O ATOM 18698 H1 TIP3 6292 57.089 16.656 -0.605 1.00 0.00 WT1 H ATOM 18699 H2 TIP3 6292 58.170 17.554 -1.168 1.00 0.00 WT1 H ATOM 18700 OH2 TIP3 6293 35.742 84.806 -12.411 1.00 0.00 WT1 O ATOM 18701 H1 TIP3 6293 35.331 85.543 -12.863 1.00 0.00 WT1 H ATOM 18702 H2 TIP3 6293 35.173 84.060 -12.600 1.00 0.00 WT1 H ATOM 18703 OH2 TIP3 6294 20.448 66.871 -14.333 1.00 0.00 WT1 O ATOM 18704 H1 TIP3 6294 20.084 66.850 -13.448 1.00 0.00 WT1 H ATOM 18705 H2 TIP3 6294 21.297 67.301 -14.233 1.00 0.00 WT1 H ATOM 18706 OH2 TIP3 6295 79.599 95.957 49.846 1.00 0.00 WT1 O ATOM 18707 H1 TIP3 6295 78.916 95.324 49.622 1.00 0.00 WT1 H ATOM 18708 H2 TIP3 6295 79.523 96.066 50.794 1.00 0.00 WT1 H ATOM 18709 OH2 TIP3 6296 50.290 15.836 36.126 1.00 0.00 WT1 O ATOM 18710 H1 TIP3 6296 49.469 15.573 35.710 1.00 0.00 WT1 H ATOM 18711 H2 TIP3 6296 50.402 15.218 36.848 1.00 0.00 WT1 H ATOM 18712 OH2 TIP3 6297 67.095 31.861 1.997 1.00 0.00 WT1 O ATOM 18713 H1 TIP3 6297 66.708 32.692 1.721 1.00 0.00 WT1 H ATOM 18714 H2 TIP3 6297 67.666 32.093 2.729 1.00 0.00 WT1 H ATOM 18715 OH2 TIP3 6298 78.093 20.298 -4.058 1.00 0.00 WT1 O ATOM 18716 H1 TIP3 6298 78.487 20.195 -3.192 1.00 0.00 WT1 H ATOM 18717 H2 TIP3 6298 78.687 20.888 -4.523 1.00 0.00 WT1 H ATOM 18718 OH2 TIP3 6299 44.284 94.201 36.401 1.00 0.00 WT1 O ATOM 18719 H1 TIP3 6299 44.092 93.270 36.509 1.00 0.00 WT1 H ATOM 18720 H2 TIP3 6299 45.150 94.222 35.995 1.00 0.00 WT1 H ATOM 18721 OH2 TIP3 6300 76.341 31.063 -11.339 1.00 0.00 WT1 O ATOM 18722 H1 TIP3 6300 75.913 31.728 -10.800 1.00 0.00 WT1 H ATOM 18723 H2 TIP3 6300 76.566 31.520 -12.150 1.00 0.00 WT1 H ATOM 18724 OH2 TIP3 6301 78.085 94.759 17.482 1.00 0.00 WT1 O ATOM 18725 H1 TIP3 6301 77.208 94.776 17.867 1.00 0.00 WT1 H ATOM 18726 H2 TIP3 6301 78.015 95.307 16.701 1.00 0.00 WT1 H ATOM 18727 OH2 TIP3 6302 87.391 10.999 8.013 1.00 0.00 WT1 O ATOM 18728 H1 TIP3 6302 87.657 10.265 8.567 1.00 0.00 WT1 H ATOM 18729 H2 TIP3 6302 86.435 10.947 7.990 1.00 0.00 WT1 H ATOM 18730 OH2 TIP3 6303 75.904 6.526 53.446 1.00 0.00 WT1 O ATOM 18731 H1 TIP3 6303 76.024 6.485 52.497 1.00 0.00 WT1 H ATOM 18732 H2 TIP3 6303 75.186 5.918 53.623 1.00 0.00 WT1 H ATOM 18733 OH2 TIP3 6304 37.058 61.898 21.266 1.00 0.00 WT1 O ATOM 18734 H1 TIP3 6304 37.014 62.653 21.853 1.00 0.00 WT1 H ATOM 18735 H2 TIP3 6304 37.947 61.561 21.374 1.00 0.00 WT1 H ATOM 18736 OH2 TIP3 6305 74.233 10.460 3.182 1.00 0.00 WT1 O ATOM 18737 H1 TIP3 6305 74.856 10.512 3.908 1.00 0.00 WT1 H ATOM 18738 H2 TIP3 6305 74.755 10.657 2.404 1.00 0.00 WT1 H ATOM 18739 OH2 TIP3 6306 53.633 31.829 42.596 1.00 0.00 WT1 O ATOM 18740 H1 TIP3 6306 52.982 31.341 42.091 1.00 0.00 WT1 H ATOM 18741 H2 TIP3 6306 54.259 32.140 41.943 1.00 0.00 WT1 H ATOM 18742 OH2 TIP3 6307 61.244 77.145 29.144 1.00 0.00 WT1 O ATOM 18743 H1 TIP3 6307 62.071 77.627 29.133 1.00 0.00 WT1 H ATOM 18744 H2 TIP3 6307 61.484 76.263 29.429 1.00 0.00 WT1 H ATOM 18745 OH2 TIP3 6308 41.438 63.159 -4.604 1.00 0.00 WT1 O ATOM 18746 H1 TIP3 6308 41.137 62.299 -4.310 1.00 0.00 WT1 H ATOM 18747 H2 TIP3 6308 41.243 63.744 -3.872 1.00 0.00 WT1 H ATOM 18748 OH2 TIP3 6309 49.816 15.038 4.849 1.00 0.00 WT1 O ATOM 18749 H1 TIP3 6309 49.253 15.649 5.324 1.00 0.00 WT1 H ATOM 18750 H2 TIP3 6309 49.359 14.884 4.022 1.00 0.00 WT1 H ATOM 18751 OH2 TIP3 6310 76.472 77.673 43.366 1.00 0.00 WT1 O ATOM 18752 H1 TIP3 6310 75.904 78.178 42.785 1.00 0.00 WT1 H ATOM 18753 H2 TIP3 6310 76.684 76.884 42.868 1.00 0.00 WT1 H ATOM 18754 OH2 TIP3 6311 80.604 88.406 16.827 1.00 0.00 WT1 O ATOM 18755 H1 TIP3 6311 80.409 88.939 17.598 1.00 0.00 WT1 H ATOM 18756 H2 TIP3 6311 80.472 87.504 17.119 1.00 0.00 WT1 H ATOM 18757 OH2 TIP3 6312 61.444 22.581 -1.061 1.00 0.00 WT1 O ATOM 18758 H1 TIP3 6312 60.920 22.555 -0.260 1.00 0.00 WT1 H ATOM 18759 H2 TIP3 6312 61.167 21.809 -1.553 1.00 0.00 WT1 H ATOM 18760 OH2 TIP3 6313 40.280 23.644 3.078 1.00 0.00 WT1 O ATOM 18761 H1 TIP3 6313 39.481 23.506 3.587 1.00 0.00 WT1 H ATOM 18762 H2 TIP3 6313 40.578 24.518 3.331 1.00 0.00 WT1 H ATOM 18763 OH2 TIP3 6315 63.122 43.691 -15.646 1.00 0.00 WT1 O ATOM 18764 H1 TIP3 6315 63.150 42.816 -15.258 1.00 0.00 WT1 H ATOM 18765 H2 TIP3 6315 62.615 43.580 -16.451 1.00 0.00 WT1 H ATOM 18766 OH2 TIP3 6316 75.066 62.713 28.449 1.00 0.00 WT1 O ATOM 18767 H1 TIP3 6316 75.140 62.965 27.528 1.00 0.00 WT1 H ATOM 18768 H2 TIP3 6316 74.512 63.390 28.839 1.00 0.00 WT1 H ATOM 18769 OH2 TIP3 6317 45.021 29.315 -6.853 1.00 0.00 WT1 O ATOM 18770 H1 TIP3 6317 44.789 28.637 -6.219 1.00 0.00 WT1 H ATOM 18771 H2 TIP3 6317 44.191 29.547 -7.271 1.00 0.00 WT1 H ATOM 18772 OH2 TIP3 6318 71.334 37.358 35.639 1.00 0.00 WT1 O ATOM 18773 H1 TIP3 6318 71.800 37.245 34.810 1.00 0.00 WT1 H ATOM 18774 H2 TIP3 6318 70.805 38.145 35.512 1.00 0.00 WT1 H ATOM 18775 OH2 TIP3 6319 47.652 37.019 63.222 1.00 0.00 WT1 O ATOM 18776 H1 TIP3 6319 47.362 37.845 63.610 1.00 0.00 WT1 H ATOM 18777 H2 TIP3 6319 48.288 36.670 63.846 1.00 0.00 WT1 H ATOM 18778 OH2 TIP3 6320 60.195 49.636 59.878 1.00 0.00 WT1 O ATOM 18779 H1 TIP3 6320 60.804 50.370 59.796 1.00 0.00 WT1 H ATOM 18780 H2 TIP3 6320 60.349 49.293 60.759 1.00 0.00 WT1 H ATOM 18781 OH2 TIP3 6321 50.353 38.604 -1.110 1.00 0.00 WT1 O ATOM 18782 H1 TIP3 6321 50.595 38.016 -1.826 1.00 0.00 WT1 H ATOM 18783 H2 TIP3 6321 49.608 39.100 -1.449 1.00 0.00 WT1 H ATOM 18784 OH2 TIP3 6323 25.020 11.848 62.834 1.00 0.00 WT1 O ATOM 18785 H1 TIP3 6323 25.846 12.120 62.433 1.00 0.00 WT1 H ATOM 18786 H2 TIP3 6323 24.376 12.477 62.510 1.00 0.00 WT1 H ATOM 18787 OH2 TIP3 6324 50.473 26.785 55.969 1.00 0.00 WT1 O ATOM 18788 H1 TIP3 6324 51.386 26.546 56.132 1.00 0.00 WT1 H ATOM 18789 H2 TIP3 6324 50.423 27.713 56.199 1.00 0.00 WT1 H ATOM 18790 OH2 TIP3 6325 40.208 5.940 -3.581 1.00 0.00 WT1 O ATOM 18791 H1 TIP3 6325 39.374 5.483 -3.471 1.00 0.00 WT1 H ATOM 18792 H2 TIP3 6325 40.077 6.785 -3.152 1.00 0.00 WT1 H ATOM 18793 OH2 TIP3 6326 79.429 52.087 47.549 1.00 0.00 WT1 O ATOM 18794 H1 TIP3 6326 79.764 52.979 47.642 1.00 0.00 WT1 H ATOM 18795 H2 TIP3 6326 79.966 51.700 46.858 1.00 0.00 WT1 H ATOM 18796 OH2 TIP3 6327 73.488 25.658 13.322 1.00 0.00 WT1 O ATOM 18797 H1 TIP3 6327 73.905 25.090 13.969 1.00 0.00 WT1 H ATOM 18798 H2 TIP3 6327 72.660 25.223 13.118 1.00 0.00 WT1 H ATOM 18799 OH2 TIP3 6328 65.728 13.038 63.329 1.00 0.00 WT1 O ATOM 18800 H1 TIP3 6328 66.674 12.987 63.468 1.00 0.00 WT1 H ATOM 18801 H2 TIP3 6328 65.617 13.742 62.691 1.00 0.00 WT1 H ATOM 18802 OH2 TIP3 6329 36.678 89.352 50.683 1.00 0.00 WT1 O ATOM 18803 H1 TIP3 6329 36.743 89.916 51.453 1.00 0.00 WT1 H ATOM 18804 H2 TIP3 6329 35.814 89.544 50.317 1.00 0.00 WT1 H ATOM 18805 OH2 TIP3 6330 74.746 46.380 34.511 1.00 0.00 WT1 O ATOM 18806 H1 TIP3 6330 74.373 45.761 35.138 1.00 0.00 WT1 H ATOM 18807 H2 TIP3 6330 74.175 46.320 33.746 1.00 0.00 WT1 H ATOM 18808 OH2 TIP3 6331 67.806 4.205 0.505 1.00 0.00 WT1 O ATOM 18809 H1 TIP3 6331 68.525 4.596 0.009 1.00 0.00 WT1 H ATOM 18810 H2 TIP3 6331 67.192 4.926 0.647 1.00 0.00 WT1 H ATOM 18811 OH2 TIP3 6332 68.634 88.342 -19.108 1.00 0.00 WT1 O ATOM 18812 H1 TIP3 6332 68.855 88.920 -18.378 1.00 0.00 WT1 H ATOM 18813 H2 TIP3 6332 67.847 88.730 -19.491 1.00 0.00 WT1 H ATOM 18814 OH2 TIP3 6333 59.985 18.092 -16.750 1.00 0.00 WT1 O ATOM 18815 H1 TIP3 6333 59.900 17.139 -16.738 1.00 0.00 WT1 H ATOM 18816 H2 TIP3 6333 59.654 18.374 -15.897 1.00 0.00 WT1 H ATOM 18817 OH2 TIP3 6334 45.748 20.132 36.659 1.00 0.00 WT1 O ATOM 18818 H1 TIP3 6334 44.889 20.274 36.260 1.00 0.00 WT1 H ATOM 18819 H2 TIP3 6334 46.366 20.534 36.049 1.00 0.00 WT1 H ATOM 18820 OH2 TIP3 6335 47.310 42.273 30.976 1.00 0.00 WT1 O ATOM 18821 H1 TIP3 6335 47.630 42.893 30.321 1.00 0.00 WT1 H ATOM 18822 H2 TIP3 6335 47.645 41.424 30.687 1.00 0.00 WT1 H ATOM 18823 OH2 TIP3 6336 55.721 90.922 66.721 1.00 0.00 WT1 O ATOM 18824 H1 TIP3 6336 54.909 90.527 66.403 1.00 0.00 WT1 H ATOM 18825 H2 TIP3 6336 56.413 90.353 66.384 1.00 0.00 WT1 H ATOM 18826 OH2 TIP3 6337 71.172 0.558 44.768 1.00 0.00 WT1 O ATOM 18827 H1 TIP3 6337 71.696 1.358 44.795 1.00 0.00 WT1 H ATOM 18828 H2 TIP3 6337 71.299 0.159 45.628 1.00 0.00 WT1 H ATOM 18829 OH2 TIP3 6338 26.294 54.039 55.823 1.00 0.00 WT1 O ATOM 18830 H1 TIP3 6338 25.569 53.502 56.142 1.00 0.00 WT1 H ATOM 18831 H2 TIP3 6338 25.918 54.914 55.723 1.00 0.00 WT1 H ATOM 18832 OH2 TIP3 6339 49.268 30.442 -12.167 1.00 0.00 WT1 O ATOM 18833 H1 TIP3 6339 48.616 29.947 -11.672 1.00 0.00 WT1 H ATOM 18834 H2 TIP3 6339 50.043 30.448 -11.604 1.00 0.00 WT1 H ATOM 18835 OH2 TIP3 6340 80.277 73.254 4.944 1.00 0.00 WT1 O ATOM 18836 H1 TIP3 6340 80.240 73.623 5.826 1.00 0.00 WT1 H ATOM 18837 H2 TIP3 6340 79.879 72.388 5.028 1.00 0.00 WT1 H ATOM 18838 OH2 TIP3 6341 27.075 23.157 61.984 1.00 0.00 WT1 O ATOM 18839 H1 TIP3 6341 26.467 22.435 62.144 1.00 0.00 WT1 H ATOM 18840 H2 TIP3 6341 26.559 23.946 62.146 1.00 0.00 WT1 H ATOM 18841 OH2 TIP3 6342 55.514 29.115 7.248 1.00 0.00 WT1 O ATOM 18842 H1 TIP3 6342 55.101 28.941 8.094 1.00 0.00 WT1 H ATOM 18843 H2 TIP3 6342 56.302 28.573 7.250 1.00 0.00 WT1 H ATOM 18844 OH2 TIP3 6344 82.628 45.573 9.763 1.00 0.00 WT1 O ATOM 18845 H1 TIP3 6344 83.131 46.162 9.200 1.00 0.00 WT1 H ATOM 18846 H2 TIP3 6344 82.813 44.699 9.421 1.00 0.00 WT1 H ATOM 18847 OH2 TIP3 6345 74.857 47.282 30.886 1.00 0.00 WT1 O ATOM 18848 H1 TIP3 6345 74.643 47.113 29.968 1.00 0.00 WT1 H ATOM 18849 H2 TIP3 6345 74.378 48.083 31.099 1.00 0.00 WT1 H ATOM 18850 OH2 TIP3 6346 75.936 36.841 13.506 1.00 0.00 WT1 O ATOM 18851 H1 TIP3 6346 75.029 37.143 13.561 1.00 0.00 WT1 H ATOM 18852 H2 TIP3 6346 75.905 36.097 12.905 1.00 0.00 WT1 H ATOM 18853 OH2 TIP3 6347 88.496 30.994 60.014 1.00 0.00 WT1 O ATOM 18854 H1 TIP3 6347 89.248 31.345 60.491 1.00 0.00 WT1 H ATOM 18855 H2 TIP3 6347 88.519 30.053 60.187 1.00 0.00 WT1 H ATOM 18856 OH2 TIP3 6348 68.262 70.752 28.481 1.00 0.00 WT1 O ATOM 18857 H1 TIP3 6348 67.641 71.248 29.014 1.00 0.00 WT1 H ATOM 18858 H2 TIP3 6348 67.716 70.148 27.977 1.00 0.00 WT1 H ATOM 18859 OH2 TIP3 6349 87.349 45.407 24.895 1.00 0.00 WT1 O ATOM 18860 H1 TIP3 6349 86.773 44.875 24.346 1.00 0.00 WT1 H ATOM 18861 H2 TIP3 6349 86.768 46.054 25.296 1.00 0.00 WT1 H ATOM 18862 OH2 TIP3 6351 80.808 39.098 43.480 1.00 0.00 WT1 O ATOM 18863 H1 TIP3 6351 80.379 39.859 43.091 1.00 0.00 WT1 H ATOM 18864 H2 TIP3 6351 80.761 38.423 42.802 1.00 0.00 WT1 H ATOM 18865 OH2 TIP3 6352 48.257 2.578 42.738 1.00 0.00 WT1 O ATOM 18866 H1 TIP3 6352 47.388 2.673 43.129 1.00 0.00 WT1 H ATOM 18867 H2 TIP3 6352 48.830 3.104 43.295 1.00 0.00 WT1 H ATOM 18868 OH2 TIP3 6353 43.999 68.459 -13.118 1.00 0.00 WT1 O ATOM 18869 H1 TIP3 6353 43.077 68.266 -13.285 1.00 0.00 WT1 H ATOM 18870 H2 TIP3 6353 44.044 68.620 -12.176 1.00 0.00 WT1 H ATOM 18871 OH2 TIP3 6354 38.248 36.716 10.504 1.00 0.00 WT1 O ATOM 18872 H1 TIP3 6354 38.882 37.378 10.227 1.00 0.00 WT1 H ATOM 18873 H2 TIP3 6354 38.041 36.946 11.409 1.00 0.00 WT1 H ATOM 18874 OH2 TIP3 6356 71.646 13.403 -0.133 1.00 0.00 WT1 O ATOM 18875 H1 TIP3 6356 70.830 13.236 -0.603 1.00 0.00 WT1 H ATOM 18876 H2 TIP3 6356 72.173 12.618 -0.279 1.00 0.00 WT1 H ATOM 18877 OH2 TIP3 6357 75.928 91.935 36.746 1.00 0.00 WT1 O ATOM 18878 H1 TIP3 6357 76.428 91.231 37.159 1.00 0.00 WT1 H ATOM 18879 H2 TIP3 6357 75.633 91.563 35.915 1.00 0.00 WT1 H ATOM 18880 OH2 TIP3 6358 76.135 4.373 -3.193 1.00 0.00 WT1 O ATOM 18881 H1 TIP3 6358 76.194 3.649 -2.571 1.00 0.00 WT1 H ATOM 18882 H2 TIP3 6358 76.132 3.952 -4.053 1.00 0.00 WT1 H ATOM 18883 OH2 TIP3 6359 81.986 33.855 26.258 1.00 0.00 WT1 O ATOM 18884 H1 TIP3 6359 82.318 34.751 26.208 1.00 0.00 WT1 H ATOM 18885 H2 TIP3 6359 81.037 33.954 26.331 1.00 0.00 WT1 H ATOM 18886 OH2 TIP3 6360 77.936 36.656 -5.098 1.00 0.00 WT1 O ATOM 18887 H1 TIP3 6360 78.291 36.488 -4.225 1.00 0.00 WT1 H ATOM 18888 H2 TIP3 6360 77.018 36.881 -4.945 1.00 0.00 WT1 H ATOM 18889 OH2 TIP3 6362 66.853 96.145 32.341 1.00 0.00 WT1 O ATOM 18890 H1 TIP3 6362 66.553 95.913 33.220 1.00 0.00 WT1 H ATOM 18891 H2 TIP3 6362 66.427 95.509 31.767 1.00 0.00 WT1 H ATOM 18892 OH2 TIP3 6363 61.559 58.575 38.166 1.00 0.00 WT1 O ATOM 18893 H1 TIP3 6363 60.636 58.467 37.937 1.00 0.00 WT1 H ATOM 18894 H2 TIP3 6363 62.034 58.270 37.393 1.00 0.00 WT1 H ATOM 18895 OH2 TIP3 6364 34.414 90.481 -17.900 1.00 0.00 WT1 O ATOM 18896 H1 TIP3 6364 34.179 90.599 -16.980 1.00 0.00 WT1 H ATOM 18897 H2 TIP3 6364 35.335 90.221 -17.881 1.00 0.00 WT1 H ATOM 18898 OH2 TIP3 6365 67.165 79.427 50.328 1.00 0.00 WT1 O ATOM 18899 H1 TIP3 6365 67.449 78.693 50.873 1.00 0.00 WT1 H ATOM 18900 H2 TIP3 6365 66.293 79.646 50.655 1.00 0.00 WT1 H ATOM 18901 OH2 TIP3 6366 86.902 72.936 26.653 1.00 0.00 WT1 O ATOM 18902 H1 TIP3 6366 87.240 73.802 26.428 1.00 0.00 WT1 H ATOM 18903 H2 TIP3 6366 87.078 72.401 25.879 1.00 0.00 WT1 H ATOM 18904 OH2 TIP3 6367 40.408 48.618 -6.171 1.00 0.00 WT1 O ATOM 18905 H1 TIP3 6367 39.764 48.936 -5.538 1.00 0.00 WT1 H ATOM 18906 H2 TIP3 6367 39.922 48.001 -6.718 1.00 0.00 WT1 H ATOM 18907 OH2 TIP3 6368 39.614 81.793 -6.143 1.00 0.00 WT1 O ATOM 18908 H1 TIP3 6368 39.763 81.738 -5.199 1.00 0.00 WT1 H ATOM 18909 H2 TIP3 6368 38.780 81.342 -6.280 1.00 0.00 WT1 H ATOM 18910 OH2 TIP3 6369 58.260 18.800 3.077 1.00 0.00 WT1 O ATOM 18911 H1 TIP3 6369 59.103 19.041 3.461 1.00 0.00 WT1 H ATOM 18912 H2 TIP3 6369 58.312 17.852 2.960 1.00 0.00 WT1 H ATOM 18913 OH2 TIP3 6370 23.639 23.756 13.835 1.00 0.00 WT1 O ATOM 18914 H1 TIP3 6370 24.259 23.866 13.114 1.00 0.00 WT1 H ATOM 18915 H2 TIP3 6370 23.661 22.818 14.028 1.00 0.00 WT1 H ATOM 18916 OH2 TIP3 6371 40.426 86.264 42.607 1.00 0.00 WT1 O ATOM 18917 H1 TIP3 6371 41.074 85.597 42.833 1.00 0.00 WT1 H ATOM 18918 H2 TIP3 6371 39.805 85.812 42.035 1.00 0.00 WT1 H ATOM 18919 OH2 TIP3 6372 43.308 13.050 61.878 1.00 0.00 WT1 O ATOM 18920 H1 TIP3 6372 42.936 13.637 62.537 1.00 0.00 WT1 H ATOM 18921 H2 TIP3 6372 44.094 13.502 61.571 1.00 0.00 WT1 H ATOM 18922 OH2 TIP3 6373 27.050 30.552 66.475 1.00 0.00 WT1 O ATOM 18923 H1 TIP3 6373 27.375 29.674 66.275 1.00 0.00 WT1 H ATOM 18924 H2 TIP3 6373 27.145 30.631 67.424 1.00 0.00 WT1 H ATOM 18925 OH2 TIP3 6374 67.435 40.775 7.431 1.00 0.00 WT1 O ATOM 18926 H1 TIP3 6374 67.241 41.129 8.299 1.00 0.00 WT1 H ATOM 18927 H2 TIP3 6374 66.669 40.999 6.903 1.00 0.00 WT1 H ATOM 18928 OH2 TIP3 6375 70.218 47.729 13.879 1.00 0.00 WT1 O ATOM 18929 H1 TIP3 6375 69.630 47.180 14.398 1.00 0.00 WT1 H ATOM 18930 H2 TIP3 6375 69.781 48.579 13.841 1.00 0.00 WT1 H ATOM 18931 OH2 TIP3 6377 44.012 15.857 55.978 1.00 0.00 WT1 O ATOM 18932 H1 TIP3 6377 44.240 15.943 56.904 1.00 0.00 WT1 H ATOM 18933 H2 TIP3 6377 43.312 16.496 55.844 1.00 0.00 WT1 H ATOM 18934 OH2 TIP3 6379 57.653 89.160 48.640 1.00 0.00 WT1 O ATOM 18935 H1 TIP3 6379 57.553 88.586 47.881 1.00 0.00 WT1 H ATOM 18936 H2 TIP3 6379 58.366 88.768 49.145 1.00 0.00 WT1 H ATOM 18937 OH2 TIP3 6380 87.027 25.163 66.784 1.00 0.00 WT1 O ATOM 18938 H1 TIP3 6380 86.879 25.954 66.266 1.00 0.00 WT1 H ATOM 18939 H2 TIP3 6380 86.290 24.592 66.566 1.00 0.00 WT1 H ATOM 18940 OH2 TIP3 6381 73.261 2.843 61.938 1.00 0.00 WT1 O ATOM 18941 H1 TIP3 6381 72.711 2.658 61.177 1.00 0.00 WT1 H ATOM 18942 H2 TIP3 6381 73.086 3.761 62.143 1.00 0.00 WT1 H ATOM 18943 OH2 TIP3 6382 65.827 34.275 52.230 1.00 0.00 WT1 O ATOM 18944 H1 TIP3 6382 64.915 34.474 52.442 1.00 0.00 WT1 H ATOM 18945 H2 TIP3 6382 66.067 33.577 52.841 1.00 0.00 WT1 H ATOM 18946 OH2 TIP3 6383 74.113 43.862 -6.289 1.00 0.00 WT1 O ATOM 18947 H1 TIP3 6383 73.612 43.383 -5.629 1.00 0.00 WT1 H ATOM 18948 H2 TIP3 6383 74.055 43.319 -7.075 1.00 0.00 WT1 H ATOM 18949 OH2 TIP3 6384 83.073 45.670 59.894 1.00 0.00 WT1 O ATOM 18950 H1 TIP3 6384 82.452 45.188 60.440 1.00 0.00 WT1 H ATOM 18951 H2 TIP3 6384 82.986 46.580 60.178 1.00 0.00 WT1 H ATOM 18952 OH2 TIP3 6385 25.614 23.567 35.978 1.00 0.00 WT1 O ATOM 18953 H1 TIP3 6385 25.040 24.072 36.554 1.00 0.00 WT1 H ATOM 18954 H2 TIP3 6385 26.171 23.066 36.575 1.00 0.00 WT1 H ATOM 18955 OH2 TIP3 6386 56.226 83.492 56.779 1.00 0.00 WT1 O ATOM 18956 H1 TIP3 6386 56.797 84.250 56.652 1.00 0.00 WT1 H ATOM 18957 H2 TIP3 6386 55.388 83.866 57.051 1.00 0.00 WT1 H ATOM 18958 OH2 TIP3 6387 57.465 26.930 -11.592 1.00 0.00 WT1 O ATOM 18959 H1 TIP3 6387 56.678 27.101 -12.110 1.00 0.00 WT1 H ATOM 18960 H2 TIP3 6387 57.676 26.014 -11.772 1.00 0.00 WT1 H ATOM 18961 OH2 TIP3 6388 20.839 2.908 -16.840 1.00 0.00 WT1 O ATOM 18962 H1 TIP3 6388 20.607 3.162 -15.947 1.00 0.00 WT1 H ATOM 18963 H2 TIP3 6388 20.012 2.628 -17.232 1.00 0.00 WT1 H ATOM 18964 OH2 TIP3 6389 88.050 49.623 24.453 1.00 0.00 WT1 O ATOM 18965 H1 TIP3 6389 88.415 49.698 23.572 1.00 0.00 WT1 H ATOM 18966 H2 TIP3 6389 87.105 49.705 24.329 1.00 0.00 WT1 H ATOM 18967 OH2 TIP3 6390 31.598 78.754 19.990 1.00 0.00 WT1 O ATOM 18968 H1 TIP3 6390 31.045 78.157 20.494 1.00 0.00 WT1 H ATOM 18969 H2 TIP3 6390 32.005 79.318 20.648 1.00 0.00 WT1 H ATOM 18970 OH2 TIP3 6391 75.795 26.930 7.921 1.00 0.00 WT1 O ATOM 18971 H1 TIP3 6391 75.926 26.170 7.354 1.00 0.00 WT1 H ATOM 18972 H2 TIP3 6391 75.300 26.591 8.666 1.00 0.00 WT1 H ATOM 18973 OH2 TIP3 6392 32.993 38.611 -0.258 1.00 0.00 WT1 O ATOM 18974 H1 TIP3 6392 33.380 37.834 0.145 1.00 0.00 WT1 H ATOM 18975 H2 TIP3 6392 33.740 39.098 -0.606 1.00 0.00 WT1 H ATOM 18976 OH2 TIP3 6393 76.228 85.256 -0.998 1.00 0.00 WT1 O ATOM 18977 H1 TIP3 6393 75.635 85.364 -0.255 1.00 0.00 WT1 H ATOM 18978 H2 TIP3 6393 75.895 84.487 -1.461 1.00 0.00 WT1 H ATOM 18979 OH2 TIP3 6394 71.338 56.586 -13.883 1.00 0.00 WT1 O ATOM 18980 H1 TIP3 6394 71.977 55.920 -13.630 1.00 0.00 WT1 H ATOM 18981 H2 TIP3 6394 70.811 56.724 -13.096 1.00 0.00 WT1 H ATOM 18982 OH2 TIP3 6395 38.606 30.881 -14.729 1.00 0.00 WT1 O ATOM 18983 H1 TIP3 6395 38.387 31.391 -13.950 1.00 0.00 WT1 H ATOM 18984 H2 TIP3 6395 39.051 31.503 -15.305 1.00 0.00 WT1 H ATOM 18985 OH2 TIP3 6396 43.491 6.539 18.298 1.00 0.00 WT1 O ATOM 18986 H1 TIP3 6396 42.685 6.919 17.950 1.00 0.00 WT1 H ATOM 18987 H2 TIP3 6396 43.669 7.041 19.094 1.00 0.00 WT1 H ATOM 18988 OH2 TIP3 6397 68.428 20.886 27.547 1.00 0.00 WT1 O ATOM 18989 H1 TIP3 6397 68.987 20.595 26.827 1.00 0.00 WT1 H ATOM 18990 H2 TIP3 6397 68.171 21.776 27.307 1.00 0.00 WT1 H ATOM 18991 OH2 TIP3 6400 41.062 90.390 2.774 1.00 0.00 WT1 O ATOM 18992 H1 TIP3 6400 40.437 90.271 2.058 1.00 0.00 WT1 H ATOM 18993 H2 TIP3 6400 41.029 91.326 2.968 1.00 0.00 WT1 H ATOM 18994 OH2 TIP3 6401 37.535 84.752 29.724 1.00 0.00 WT1 O ATOM 18995 H1 TIP3 6401 36.903 84.226 30.213 1.00 0.00 WT1 H ATOM 18996 H2 TIP3 6401 38.385 84.370 29.942 1.00 0.00 WT1 H ATOM 18997 OH2 TIP3 6402 69.402 40.442 5.217 1.00 0.00 WT1 O ATOM 18998 H1 TIP3 6402 69.167 40.560 6.138 1.00 0.00 WT1 H ATOM 18999 H2 TIP3 6402 69.446 41.332 4.866 1.00 0.00 WT1 H ATOM 19000 OH2 TIP3 6403 54.128 51.800 -14.158 1.00 0.00 WT1 O ATOM 19001 H1 TIP3 6403 54.548 51.668 -13.308 1.00 0.00 WT1 H ATOM 19002 H2 TIP3 6403 53.450 51.126 -14.197 1.00 0.00 WT1 H ATOM 19003 OH2 TIP3 6404 52.202 33.533 -18.181 1.00 0.00 WT1 O ATOM 19004 H1 TIP3 6404 52.531 32.939 -17.506 1.00 0.00 WT1 H ATOM 19005 H2 TIP3 6404 52.864 33.502 -18.871 1.00 0.00 WT1 H ATOM 19006 OH2 TIP3 6406 40.255 28.110 36.987 1.00 0.00 WT1 O ATOM 19007 H1 TIP3 6406 39.806 28.868 37.361 1.00 0.00 WT1 H ATOM 19008 H2 TIP3 6406 41.170 28.221 37.246 1.00 0.00 WT1 H ATOM 19009 OH2 TIP3 6407 43.317 39.633 -8.273 1.00 0.00 WT1 O ATOM 19010 H1 TIP3 6407 42.972 39.913 -7.425 1.00 0.00 WT1 H ATOM 19011 H2 TIP3 6407 43.903 38.906 -8.066 1.00 0.00 WT1 H ATOM 19012 OH2 TIP3 6408 23.310 90.326 -13.783 1.00 0.00 WT1 O ATOM 19013 H1 TIP3 6408 24.088 89.944 -13.377 1.00 0.00 WT1 H ATOM 19014 H2 TIP3 6408 22.743 90.556 -13.047 1.00 0.00 WT1 H ATOM 19015 OH2 TIP3 6409 62.068 11.431 52.792 1.00 0.00 WT1 O ATOM 19016 H1 TIP3 6409 62.111 12.379 52.669 1.00 0.00 WT1 H ATOM 19017 H2 TIP3 6409 62.638 11.075 52.110 1.00 0.00 WT1 H ATOM 19018 OH2 TIP3 6410 64.664 19.590 50.085 1.00 0.00 WT1 O ATOM 19019 H1 TIP3 6410 64.509 18.699 50.400 1.00 0.00 WT1 H ATOM 19020 H2 TIP3 6410 63.793 19.926 49.875 1.00 0.00 WT1 H ATOM 19021 OH2 TIP3 6411 54.529 31.789 4.072 1.00 0.00 WT1 O ATOM 19022 H1 TIP3 6411 54.372 32.219 4.912 1.00 0.00 WT1 H ATOM 19023 H2 TIP3 6411 54.530 32.503 3.433 1.00 0.00 WT1 H ATOM 19024 OH2 TIP3 6412 36.661 85.044 58.363 1.00 0.00 WT1 O ATOM 19025 H1 TIP3 6412 36.296 84.607 59.132 1.00 0.00 WT1 H ATOM 19026 H2 TIP3 6412 35.980 85.659 58.090 1.00 0.00 WT1 H ATOM 19027 OH2 TIP3 6413 27.626 58.262 58.068 1.00 0.00 WT1 O ATOM 19028 H1 TIP3 6413 26.993 58.873 57.692 1.00 0.00 WT1 H ATOM 19029 H2 TIP3 6413 27.101 57.513 58.347 1.00 0.00 WT1 H ATOM 19030 OH2 TIP3 6415 71.674 38.874 -15.569 1.00 0.00 WT1 O ATOM 19031 H1 TIP3 6415 71.709 38.766 -14.619 1.00 0.00 WT1 H ATOM 19032 H2 TIP3 6415 71.779 37.987 -15.915 1.00 0.00 WT1 H ATOM 19033 OH2 TIP3 6417 61.663 21.478 52.344 1.00 0.00 WT1 O ATOM 19034 H1 TIP3 6417 61.632 21.581 51.393 1.00 0.00 WT1 H ATOM 19035 H2 TIP3 6417 61.802 20.541 52.479 1.00 0.00 WT1 H ATOM 19036 OH2 TIP3 6418 79.478 53.902 36.368 1.00 0.00 WT1 O ATOM 19037 H1 TIP3 6418 78.930 54.071 35.601 1.00 0.00 WT1 H ATOM 19038 H2 TIP3 6418 79.961 54.718 36.502 1.00 0.00 WT1 H ATOM 19039 OH2 TIP3 6419 72.519 68.640 26.986 1.00 0.00 WT1 O ATOM 19040 H1 TIP3 6419 71.998 67.837 26.990 1.00 0.00 WT1 H ATOM 19041 H2 TIP3 6419 72.064 69.226 27.590 1.00 0.00 WT1 H ATOM 19042 OH2 TIP3 6420 42.211 60.450 65.493 1.00 0.00 WT1 O ATOM 19043 H1 TIP3 6420 42.670 59.957 66.173 1.00 0.00 WT1 H ATOM 19044 H2 TIP3 6420 41.336 60.599 65.853 1.00 0.00 WT1 H ATOM 19045 OH2 TIP3 6421 22.521 10.015 -8.679 1.00 0.00 WT1 O ATOM 19046 H1 TIP3 6421 21.634 10.070 -9.034 1.00 0.00 WT1 H ATOM 19047 H2 TIP3 6421 22.885 10.891 -8.806 1.00 0.00 WT1 H ATOM 19048 OH2 TIP3 6422 82.191 40.316 8.381 1.00 0.00 WT1 O ATOM 19049 H1 TIP3 6422 81.781 40.529 7.543 1.00 0.00 WT1 H ATOM 19050 H2 TIP3 6422 81.918 39.416 8.560 1.00 0.00 WT1 H ATOM 19051 OH2 TIP3 6424 32.756 32.072 24.800 1.00 0.00 WT1 O ATOM 19052 H1 TIP3 6424 31.815 31.957 24.933 1.00 0.00 WT1 H ATOM 19053 H2 TIP3 6424 32.907 33.005 24.947 1.00 0.00 WT1 H ATOM 19054 OH2 TIP3 6425 86.478 49.927 39.407 1.00 0.00 WT1 O ATOM 19055 H1 TIP3 6425 87.292 50.420 39.512 1.00 0.00 WT1 H ATOM 19056 H2 TIP3 6425 86.405 49.782 38.464 1.00 0.00 WT1 H ATOM 19057 OH2 TIP3 6427 35.816 20.223 45.746 1.00 0.00 WT1 O ATOM 19058 H1 TIP3 6427 36.452 19.580 46.061 1.00 0.00 WT1 H ATOM 19059 H2 TIP3 6427 35.508 20.663 46.538 1.00 0.00 WT1 H ATOM 19060 OH2 TIP3 6428 66.334 65.784 -3.387 1.00 0.00 WT1 O ATOM 19061 H1 TIP3 6428 67.071 65.188 -3.521 1.00 0.00 WT1 H ATOM 19062 H2 TIP3 6428 66.013 65.575 -2.510 1.00 0.00 WT1 H ATOM 19063 OH2 TIP3 6429 59.189 49.447 -16.224 1.00 0.00 WT1 O ATOM 19064 H1 TIP3 6429 60.032 49.848 -16.010 1.00 0.00 WT1 H ATOM 19065 H2 TIP3 6429 59.003 48.869 -15.484 1.00 0.00 WT1 H ATOM 19066 OH2 TIP3 6430 38.801 29.893 -17.321 1.00 0.00 WT1 O ATOM 19067 H1 TIP3 6430 38.591 29.985 -16.392 1.00 0.00 WT1 H ATOM 19068 H2 TIP3 6430 38.071 29.391 -17.684 1.00 0.00 WT1 H ATOM 19069 OH2 TIP3 6431 31.714 49.227 -8.193 1.00 0.00 WT1 O ATOM 19070 H1 TIP3 6431 31.809 49.234 -7.240 1.00 0.00 WT1 H ATOM 19071 H2 TIP3 6431 30.779 49.086 -8.340 1.00 0.00 WT1 H ATOM 19072 OH2 TIP3 6432 55.330 59.778 49.894 1.00 0.00 WT1 O ATOM 19073 H1 TIP3 6432 55.616 58.883 49.708 1.00 0.00 WT1 H ATOM 19074 H2 TIP3 6432 55.567 59.919 50.811 1.00 0.00 WT1 H ATOM 19075 OH2 TIP3 6433 68.293 64.160 23.411 1.00 0.00 WT1 O ATOM 19076 H1 TIP3 6433 67.986 65.010 23.095 1.00 0.00 WT1 H ATOM 19077 H2 TIP3 6433 67.999 64.121 24.321 1.00 0.00 WT1 H ATOM 19078 OH2 TIP3 6434 67.453 7.810 35.003 1.00 0.00 WT1 O ATOM 19079 H1 TIP3 6434 67.629 8.223 34.159 1.00 0.00 WT1 H ATOM 19080 H2 TIP3 6434 68.227 8.004 35.532 1.00 0.00 WT1 H ATOM 19081 OH2 TIP3 6435 65.545 19.137 29.175 1.00 0.00 WT1 O ATOM 19082 H1 TIP3 6435 65.536 20.058 28.912 1.00 0.00 WT1 H ATOM 19083 H2 TIP3 6435 65.899 18.674 28.415 1.00 0.00 WT1 H ATOM 19084 OH2 TIP3 6436 30.813 40.213 -6.133 1.00 0.00 WT1 O ATOM 19085 H1 TIP3 6436 31.019 39.303 -5.917 1.00 0.00 WT1 H ATOM 19086 H2 TIP3 6436 30.293 40.157 -6.935 1.00 0.00 WT1 H ATOM 19087 OH2 TIP3 6437 75.037 56.022 39.118 1.00 0.00 WT1 O ATOM 19088 H1 TIP3 6437 74.178 56.319 39.417 1.00 0.00 WT1 H ATOM 19089 H2 TIP3 6437 74.932 55.899 38.174 1.00 0.00 WT1 H ATOM 19090 OH2 TIP3 6438 33.559 17.182 -8.513 1.00 0.00 WT1 O ATOM 19091 H1 TIP3 6438 32.755 17.514 -8.912 1.00 0.00 WT1 H ATOM 19092 H2 TIP3 6438 34.255 17.723 -8.886 1.00 0.00 WT1 H ATOM 19093 OH2 TIP3 6439 84.322 88.552 55.222 1.00 0.00 WT1 O ATOM 19094 H1 TIP3 6439 84.541 88.563 54.291 1.00 0.00 WT1 H ATOM 19095 H2 TIP3 6439 83.367 88.610 55.245 1.00 0.00 WT1 H ATOM 19096 OH2 TIP3 6440 59.805 31.906 3.338 1.00 0.00 WT1 O ATOM 19097 H1 TIP3 6440 59.313 31.345 2.738 1.00 0.00 WT1 H ATOM 19098 H2 TIP3 6440 59.626 31.544 4.206 1.00 0.00 WT1 H ATOM 19099 OH2 TIP3 6441 72.123 36.964 22.201 1.00 0.00 WT1 O ATOM 19100 H1 TIP3 6441 72.826 37.510 21.849 1.00 0.00 WT1 H ATOM 19101 H2 TIP3 6441 71.486 36.904 21.489 1.00 0.00 WT1 H ATOM 19102 OH2 TIP3 6442 39.780 45.513 30.956 1.00 0.00 WT1 O ATOM 19103 H1 TIP3 6442 39.735 45.305 30.023 1.00 0.00 WT1 H ATOM 19104 H2 TIP3 6442 40.282 46.328 30.996 1.00 0.00 WT1 H ATOM 19105 OH2 TIP3 6443 47.050 44.909 27.062 1.00 0.00 WT1 O ATOM 19106 H1 TIP3 6443 47.721 44.712 26.408 1.00 0.00 WT1 H ATOM 19107 H2 TIP3 6443 46.282 45.160 26.549 1.00 0.00 WT1 H ATOM 19108 OH2 TIP3 6444 54.212 55.330 -6.762 1.00 0.00 WT1 O ATOM 19109 H1 TIP3 6444 53.560 55.823 -6.264 1.00 0.00 WT1 H ATOM 19110 H2 TIP3 6444 54.778 54.940 -6.096 1.00 0.00 WT1 H ATOM 19111 OH2 TIP3 6446 70.388 44.937 50.388 1.00 0.00 WT1 O ATOM 19112 H1 TIP3 6446 70.650 44.874 49.469 1.00 0.00 WT1 H ATOM 19113 H2 TIP3 6446 70.586 45.841 50.632 1.00 0.00 WT1 H ATOM 19114 OH2 TIP3 6448 46.243 75.682 64.936 1.00 0.00 WT1 O ATOM 19115 H1 TIP3 6448 45.526 75.167 64.565 1.00 0.00 WT1 H ATOM 19116 H2 TIP3 6448 46.344 75.346 65.827 1.00 0.00 WT1 H ATOM 19117 OH2 TIP3 6449 50.961 26.166 0.361 1.00 0.00 WT1 O ATOM 19118 H1 TIP3 6449 51.763 26.235 0.879 1.00 0.00 WT1 H ATOM 19119 H2 TIP3 6449 50.293 25.891 0.989 1.00 0.00 WT1 H ATOM 19120 OH2 TIP3 6450 42.610 56.075 4.429 1.00 0.00 WT1 O ATOM 19121 H1 TIP3 6450 43.023 56.913 4.220 1.00 0.00 WT1 H ATOM 19122 H2 TIP3 6450 41.900 56.301 5.030 1.00 0.00 WT1 H ATOM 19123 OH2 TIP3 6451 24.685 20.227 46.948 1.00 0.00 WT1 O ATOM 19124 H1 TIP3 6451 24.802 20.405 46.015 1.00 0.00 WT1 H ATOM 19125 H2 TIP3 6451 25.571 20.258 47.310 1.00 0.00 WT1 H ATOM 19126 OH2 TIP3 6452 51.387 48.023 43.780 1.00 0.00 WT1 O ATOM 19127 H1 TIP3 6452 52.227 48.156 44.219 1.00 0.00 WT1 H ATOM 19128 H2 TIP3 6452 51.243 47.077 43.819 1.00 0.00 WT1 H ATOM 19129 OH2 TIP3 6453 45.651 57.428 -3.217 1.00 0.00 WT1 O ATOM 19130 H1 TIP3 6453 45.015 56.729 -3.371 1.00 0.00 WT1 H ATOM 19131 H2 TIP3 6453 46.172 57.119 -2.476 1.00 0.00 WT1 H ATOM 19132 OH2 TIP3 6454 32.146 88.742 28.669 1.00 0.00 WT1 O ATOM 19133 H1 TIP3 6454 32.955 89.203 28.448 1.00 0.00 WT1 H ATOM 19134 H2 TIP3 6454 32.215 87.904 28.211 1.00 0.00 WT1 H ATOM 19135 OH2 TIP3 6455 42.884 95.706 65.632 1.00 0.00 WT1 O ATOM 19136 H1 TIP3 6455 41.946 95.574 65.492 1.00 0.00 WT1 H ATOM 19137 H2 TIP3 6455 43.195 96.104 64.819 1.00 0.00 WT1 H ATOM 19138 OH2 TIP3 6456 28.356 26.477 34.974 1.00 0.00 WT1 O ATOM 19139 H1 TIP3 6456 27.416 26.313 34.908 1.00 0.00 WT1 H ATOM 19140 H2 TIP3 6456 28.512 27.217 34.387 1.00 0.00 WT1 H ATOM 19141 OH2 TIP3 6457 81.432 40.919 35.406 1.00 0.00 WT1 O ATOM 19142 H1 TIP3 6457 80.538 41.206 35.220 1.00 0.00 WT1 H ATOM 19143 H2 TIP3 6457 81.349 39.984 35.598 1.00 0.00 WT1 H ATOM 19144 OH2 TIP3 6461 74.078 77.044 48.772 1.00 0.00 WT1 O ATOM 19145 H1 TIP3 6461 74.653 77.757 48.492 1.00 0.00 WT1 H ATOM 19146 H2 TIP3 6461 73.318 77.107 48.194 1.00 0.00 WT1 H ATOM 19147 OH2 TIP3 6462 72.616 62.600 52.314 1.00 0.00 WT1 O ATOM 19148 H1 TIP3 6462 72.635 63.540 52.133 1.00 0.00 WT1 H ATOM 19149 H2 TIP3 6462 71.802 62.295 51.912 1.00 0.00 WT1 H ATOM 19150 OH2 TIP3 6464 28.605 14.757 4.623 1.00 0.00 WT1 O ATOM 19151 H1 TIP3 6464 29.173 15.068 3.918 1.00 0.00 WT1 H ATOM 19152 H2 TIP3 6464 28.980 13.914 4.878 1.00 0.00 WT1 H ATOM 19153 OH2 TIP3 6465 71.548 62.332 23.647 1.00 0.00 WT1 O ATOM 19154 H1 TIP3 6465 70.800 61.773 23.434 1.00 0.00 WT1 H ATOM 19155 H2 TIP3 6465 72.063 61.817 24.269 1.00 0.00 WT1 H ATOM 19156 OH2 TIP3 6467 41.832 50.436 -17.758 1.00 0.00 WT1 O ATOM 19157 H1 TIP3 6467 41.159 50.175 -18.386 1.00 0.00 WT1 H ATOM 19158 H2 TIP3 6467 42.475 50.915 -18.280 1.00 0.00 WT1 H ATOM 19159 OH2 TIP3 6468 78.948 1.778 48.957 1.00 0.00 WT1 O ATOM 19160 H1 TIP3 6468 79.395 0.932 48.982 1.00 0.00 WT1 H ATOM 19161 H2 TIP3 6468 78.689 1.886 48.042 1.00 0.00 WT1 H ATOM 19162 OH2 TIP3 6469 68.782 18.273 -1.702 1.00 0.00 WT1 O ATOM 19163 H1 TIP3 6469 68.988 18.596 -0.824 1.00 0.00 WT1 H ATOM 19164 H2 TIP3 6469 67.914 17.881 -1.616 1.00 0.00 WT1 H ATOM 19165 OH2 TIP3 6470 67.332 44.119 -8.126 1.00 0.00 WT1 O ATOM 19166 H1 TIP3 6470 66.971 44.195 -9.009 1.00 0.00 WT1 H ATOM 19167 H2 TIP3 6470 66.624 44.408 -7.552 1.00 0.00 WT1 H ATOM 19168 OH2 TIP3 6471 40.592 27.838 9.885 1.00 0.00 WT1 O ATOM 19169 H1 TIP3 6471 41.071 28.179 10.640 1.00 0.00 WT1 H ATOM 19170 H2 TIP3 6471 41.155 27.146 9.537 1.00 0.00 WT1 H ATOM 19171 OH2 TIP3 6472 84.659 69.920 4.174 1.00 0.00 WT1 O ATOM 19172 H1 TIP3 6472 85.288 70.380 4.730 1.00 0.00 WT1 H ATOM 19173 H2 TIP3 6472 83.932 70.534 4.076 1.00 0.00 WT1 H ATOM 19174 OH2 TIP3 6474 30.623 29.636 -10.539 1.00 0.00 WT1 O ATOM 19175 H1 TIP3 6474 31.296 28.973 -10.687 1.00 0.00 WT1 H ATOM 19176 H2 TIP3 6474 30.207 29.751 -11.393 1.00 0.00 WT1 H ATOM 19177 OH2 TIP3 6475 84.376 7.965 51.945 1.00 0.00 WT1 O ATOM 19178 H1 TIP3 6475 83.637 7.930 51.337 1.00 0.00 WT1 H ATOM 19179 H2 TIP3 6475 84.105 8.592 52.616 1.00 0.00 WT1 H ATOM 19180 OH2 TIP3 6476 55.886 57.088 51.586 1.00 0.00 WT1 O ATOM 19181 H1 TIP3 6476 55.745 56.940 50.651 1.00 0.00 WT1 H ATOM 19182 H2 TIP3 6476 56.754 57.489 51.637 1.00 0.00 WT1 H ATOM 19183 OH2 TIP3 6478 21.370 54.845 29.411 1.00 0.00 WT1 O ATOM 19184 H1 TIP3 6478 21.039 55.378 30.133 1.00 0.00 WT1 H ATOM 19185 H2 TIP3 6478 22.003 55.408 28.966 1.00 0.00 WT1 H ATOM 19186 OH2 TIP3 6479 28.248 34.736 66.666 1.00 0.00 WT1 O ATOM 19187 H1 TIP3 6479 28.840 34.029 66.410 1.00 0.00 WT1 H ATOM 19188 H2 TIP3 6479 28.794 35.522 66.657 1.00 0.00 WT1 H ATOM 19189 OH2 TIP3 6481 24.023 24.702 37.710 1.00 0.00 WT1 O ATOM 19190 H1 TIP3 6481 23.633 23.893 38.042 1.00 0.00 WT1 H ATOM 19191 H2 TIP3 6481 23.285 25.307 37.628 1.00 0.00 WT1 H ATOM 19192 OH2 TIP3 6482 65.303 86.123 22.199 1.00 0.00 WT1 O ATOM 19193 H1 TIP3 6482 65.451 87.038 21.963 1.00 0.00 WT1 H ATOM 19194 H2 TIP3 6482 64.411 86.106 22.547 1.00 0.00 WT1 H ATOM 19195 OH2 TIP3 6483 22.578 38.508 -3.988 1.00 0.00 WT1 O ATOM 19196 H1 TIP3 6483 21.935 39.203 -4.128 1.00 0.00 WT1 H ATOM 19197 H2 TIP3 6483 22.364 38.154 -3.125 1.00 0.00 WT1 H ATOM 19198 OH2 TIP3 6486 29.798 20.015 44.049 1.00 0.00 WT1 O ATOM 19199 H1 TIP3 6486 30.254 19.180 43.940 1.00 0.00 WT1 H ATOM 19200 H2 TIP3 6486 29.526 20.256 43.164 1.00 0.00 WT1 H ATOM 19201 OH2 TIP3 6488 21.058 43.362 57.219 1.00 0.00 WT1 O ATOM 19202 H1 TIP3 6488 20.789 42.999 58.062 1.00 0.00 WT1 H ATOM 19203 H2 TIP3 6488 21.320 44.261 57.417 1.00 0.00 WT1 H ATOM 19204 OH2 TIP3 6489 83.780 28.119 -18.007 1.00 0.00 WT1 O ATOM 19205 H1 TIP3 6489 83.511 28.161 -18.925 1.00 0.00 WT1 H ATOM 19206 H2 TIP3 6489 83.912 29.033 -17.754 1.00 0.00 WT1 H ATOM 19207 OH2 TIP3 6490 48.869 59.901 12.425 1.00 0.00 WT1 O ATOM 19208 H1 TIP3 6490 49.166 59.175 12.974 1.00 0.00 WT1 H ATOM 19209 H2 TIP3 6490 49.499 60.602 12.590 1.00 0.00 WT1 H ATOM 19210 OH2 TIP3 6491 43.358 32.805 2.540 1.00 0.00 WT1 O ATOM 19211 H1 TIP3 6491 43.453 33.064 1.623 1.00 0.00 WT1 H ATOM 19212 H2 TIP3 6491 43.707 33.546 3.035 1.00 0.00 WT1 H ATOM 19213 OH2 TIP3 6492 52.245 82.995 34.217 1.00 0.00 WT1 O ATOM 19214 H1 TIP3 6492 52.730 82.734 33.434 1.00 0.00 WT1 H ATOM 19215 H2 TIP3 6492 51.820 82.191 34.515 1.00 0.00 WT1 H ATOM 19216 OH2 TIP3 6493 89.698 10.548 59.333 1.00 0.00 WT1 O ATOM 19217 H1 TIP3 6493 90.310 10.005 58.837 1.00 0.00 WT1 H ATOM 19218 H2 TIP3 6493 89.410 11.215 58.709 1.00 0.00 WT1 H ATOM 19219 OH2 TIP3 6494 58.926 40.649 63.013 1.00 0.00 WT1 O ATOM 19220 H1 TIP3 6494 59.687 40.077 63.109 1.00 0.00 WT1 H ATOM 19221 H2 TIP3 6494 59.269 41.436 62.589 1.00 0.00 WT1 H ATOM 19222 OH2 TIP3 6495 42.617 35.909 6.066 1.00 0.00 WT1 O ATOM 19223 H1 TIP3 6495 41.946 36.185 6.690 1.00 0.00 WT1 H ATOM 19224 H2 TIP3 6495 43.298 35.508 6.607 1.00 0.00 WT1 H ATOM 19225 OH2 TIP3 6496 61.345 92.061 23.786 1.00 0.00 WT1 O ATOM 19226 H1 TIP3 6496 61.142 91.169 23.506 1.00 0.00 WT1 H ATOM 19227 H2 TIP3 6496 62.098 91.965 24.368 1.00 0.00 WT1 H ATOM 19228 OH2 TIP3 6497 57.730 64.676 25.014 1.00 0.00 WT1 O ATOM 19229 H1 TIP3 6497 57.111 64.167 25.538 1.00 0.00 WT1 H ATOM 19230 H2 TIP3 6497 57.456 64.527 24.109 1.00 0.00 WT1 H ATOM 19231 OH2 TIP3 6499 68.840 60.059 -18.392 1.00 0.00 WT1 O ATOM 19232 H1 TIP3 6499 68.321 60.554 -19.026 1.00 0.00 WT1 H ATOM 19233 H2 TIP3 6499 68.241 59.390 -18.062 1.00 0.00 WT1 H ATOM 19234 OH2 TIP3 6500 77.574 42.418 20.396 1.00 0.00 WT1 O ATOM 19235 H1 TIP3 6500 77.587 42.821 21.264 1.00 0.00 WT1 H ATOM 19236 H2 TIP3 6500 76.891 41.750 20.451 1.00 0.00 WT1 H ATOM 19237 OH2 TIP3 6501 61.445 58.486 20.728 1.00 0.00 WT1 O ATOM 19238 H1 TIP3 6501 61.131 58.291 19.845 1.00 0.00 WT1 H ATOM 19239 H2 TIP3 6501 60.648 58.601 21.246 1.00 0.00 WT1 H ATOM 19240 OH2 TIP3 6503 64.358 84.933 7.538 1.00 0.00 WT1 O ATOM 19241 H1 TIP3 6503 63.598 84.654 8.050 1.00 0.00 WT1 H ATOM 19242 H2 TIP3 6503 64.263 84.478 6.702 1.00 0.00 WT1 H ATOM 19243 OH2 TIP3 6506 64.659 76.359 17.394 1.00 0.00 WT1 O ATOM 19244 H1 TIP3 6506 64.931 75.968 18.224 1.00 0.00 WT1 H ATOM 19245 H2 TIP3 6506 64.779 77.301 17.521 1.00 0.00 WT1 H ATOM 19246 OH2 TIP3 6508 71.174 41.918 34.537 1.00 0.00 WT1 O ATOM 19247 H1 TIP3 6508 71.863 42.280 33.979 1.00 0.00 WT1 H ATOM 19248 H2 TIP3 6508 70.479 41.669 33.928 1.00 0.00 WT1 H ATOM 19249 OH2 TIP3 6509 69.297 58.909 29.612 1.00 0.00 WT1 O ATOM 19250 H1 TIP3 6509 68.346 58.818 29.676 1.00 0.00 WT1 H ATOM 19251 H2 TIP3 6509 69.436 59.423 28.817 1.00 0.00 WT1 H ATOM 19252 OH2 TIP3 6510 49.678 55.070 55.609 1.00 0.00 WT1 O ATOM 19253 H1 TIP3 6510 49.113 55.362 54.894 1.00 0.00 WT1 H ATOM 19254 H2 TIP3 6510 50.338 55.759 55.691 1.00 0.00 WT1 H ATOM 19255 OH2 TIP3 6511 69.463 94.859 14.526 1.00 0.00 WT1 O ATOM 19256 H1 TIP3 6511 68.775 94.677 15.167 1.00 0.00 WT1 H ATOM 19257 H2 TIP3 6511 69.123 94.506 13.704 1.00 0.00 WT1 H ATOM 19258 OH2 TIP3 6512 70.171 17.225 -13.535 1.00 0.00 WT1 O ATOM 19259 H1 TIP3 6512 69.696 16.816 -12.811 1.00 0.00 WT1 H ATOM 19260 H2 TIP3 6512 69.735 18.067 -13.662 1.00 0.00 WT1 H ATOM 19261 OH2 TIP3 6513 88.164 55.957 -5.906 1.00 0.00 WT1 O ATOM 19262 H1 TIP3 6513 88.577 56.247 -5.093 1.00 0.00 WT1 H ATOM 19263 H2 TIP3 6513 87.912 55.049 -5.737 1.00 0.00 WT1 H ATOM 19264 OH2 TIP3 6514 34.014 60.640 48.613 1.00 0.00 WT1 O ATOM 19265 H1 TIP3 6514 34.181 60.435 47.693 1.00 0.00 WT1 H ATOM 19266 H2 TIP3 6514 34.793 61.117 48.898 1.00 0.00 WT1 H ATOM 19267 OH2 TIP3 6515 86.983 67.449 22.416 1.00 0.00 WT1 O ATOM 19268 H1 TIP3 6515 86.280 67.254 23.035 1.00 0.00 WT1 H ATOM 19269 H2 TIP3 6515 86.791 66.904 21.653 1.00 0.00 WT1 H ATOM 19270 OH2 TIP3 6516 57.921 65.619 52.789 1.00 0.00 WT1 O ATOM 19271 H1 TIP3 6516 57.769 64.737 52.450 1.00 0.00 WT1 H ATOM 19272 H2 TIP3 6516 57.310 66.171 52.300 1.00 0.00 WT1 H ATOM 19273 OH2 TIP3 6518 47.923 14.868 35.022 1.00 0.00 WT1 O ATOM 19274 H1 TIP3 6518 47.329 14.194 34.693 1.00 0.00 WT1 H ATOM 19275 H2 TIP3 6518 47.416 15.331 35.689 1.00 0.00 WT1 H ATOM 19276 OH2 TIP3 6519 40.868 37.346 8.937 1.00 0.00 WT1 O ATOM 19277 H1 TIP3 6519 41.013 38.290 8.868 1.00 0.00 WT1 H ATOM 19278 H2 TIP3 6519 41.463 37.063 9.632 1.00 0.00 WT1 H ATOM 19279 OH2 TIP3 6521 83.852 34.898 13.205 1.00 0.00 WT1 O ATOM 19280 H1 TIP3 6521 84.623 34.701 13.736 1.00 0.00 WT1 H ATOM 19281 H2 TIP3 6521 83.553 34.045 12.890 1.00 0.00 WT1 H ATOM 19282 OH2 TIP3 6522 68.853 54.693 52.581 1.00 0.00 WT1 O ATOM 19283 H1 TIP3 6522 68.706 54.589 51.641 1.00 0.00 WT1 H ATOM 19284 H2 TIP3 6522 69.065 55.620 52.689 1.00 0.00 WT1 H ATOM 19285 OH2 TIP3 6524 78.170 44.030 0.039 1.00 0.00 WT1 O ATOM 19286 H1 TIP3 6524 77.960 44.633 0.752 1.00 0.00 WT1 H ATOM 19287 H2 TIP3 6524 79.120 43.920 0.090 1.00 0.00 WT1 H ATOM 19288 OH2 TIP3 6527 45.149 56.020 61.480 1.00 0.00 WT1 O ATOM 19289 H1 TIP3 6527 44.680 56.855 61.471 1.00 0.00 WT1 H ATOM 19290 H2 TIP3 6527 45.893 56.156 60.894 1.00 0.00 WT1 H ATOM 19291 OH2 TIP3 6530 50.613 30.157 55.231 1.00 0.00 WT1 O ATOM 19292 H1 TIP3 6530 49.678 30.222 55.426 1.00 0.00 WT1 H ATOM 19293 H2 TIP3 6530 50.648 29.887 54.313 1.00 0.00 WT1 H ATOM 19294 OH2 TIP3 6531 28.867 91.396 22.183 1.00 0.00 WT1 O ATOM 19295 H1 TIP3 6531 28.910 91.831 23.035 1.00 0.00 WT1 H ATOM 19296 H2 TIP3 6531 29.260 90.537 22.332 1.00 0.00 WT1 H ATOM 19297 OH2 TIP3 6532 42.736 53.647 -9.001 1.00 0.00 WT1 O ATOM 19298 H1 TIP3 6532 41.931 53.649 -8.483 1.00 0.00 WT1 H ATOM 19299 H2 TIP3 6532 42.636 54.384 -9.603 1.00 0.00 WT1 H ATOM 19300 OH2 TIP3 6533 37.672 77.321 -1.641 1.00 0.00 WT1 O ATOM 19301 H1 TIP3 6533 38.445 77.729 -1.251 1.00 0.00 WT1 H ATOM 19302 H2 TIP3 6533 37.936 77.115 -2.538 1.00 0.00 WT1 H ATOM 19303 OH2 TIP3 6534 46.389 59.668 14.084 1.00 0.00 WT1 O ATOM 19304 H1 TIP3 6534 45.979 60.126 14.817 1.00 0.00 WT1 H ATOM 19305 H2 TIP3 6534 47.321 59.870 14.166 1.00 0.00 WT1 H ATOM 19306 OH2 TIP3 6535 24.751 47.863 23.695 1.00 0.00 WT1 O ATOM 19307 H1 TIP3 6535 25.334 48.038 22.956 1.00 0.00 WT1 H ATOM 19308 H2 TIP3 6535 24.503 46.944 23.592 1.00 0.00 WT1 H ATOM 19309 OH2 TIP3 6536 77.988 12.132 -13.357 1.00 0.00 WT1 O ATOM 19310 H1 TIP3 6536 78.671 11.462 -13.303 1.00 0.00 WT1 H ATOM 19311 H2 TIP3 6536 77.168 11.645 -13.281 1.00 0.00 WT1 H ATOM 19312 OH2 TIP3 6537 46.847 74.162 53.899 1.00 0.00 WT1 O ATOM 19313 H1 TIP3 6537 46.345 73.361 54.047 1.00 0.00 WT1 H ATOM 19314 H2 TIP3 6537 47.560 73.895 53.319 1.00 0.00 WT1 H ATOM 19315 OH2 TIP3 6540 25.361 40.916 18.000 1.00 0.00 WT1 O ATOM 19316 H1 TIP3 6540 24.751 41.653 17.965 1.00 0.00 WT1 H ATOM 19317 H2 TIP3 6540 26.212 41.300 17.790 1.00 0.00 WT1 H ATOM 19318 OH2 TIP3 6541 56.472 48.308 24.591 1.00 0.00 WT1 O ATOM 19319 H1 TIP3 6541 55.766 47.764 24.939 1.00 0.00 WT1 H ATOM 19320 H2 TIP3 6541 56.426 48.183 23.643 1.00 0.00 WT1 H ATOM 19321 OH2 TIP3 6543 83.030 38.487 49.375 1.00 0.00 WT1 O ATOM 19322 H1 TIP3 6543 82.828 39.051 50.122 1.00 0.00 WT1 H ATOM 19323 H2 TIP3 6543 83.970 38.599 49.237 1.00 0.00 WT1 H ATOM 19324 OH2 TIP3 6544 66.522 64.850 10.147 1.00 0.00 WT1 O ATOM 19325 H1 TIP3 6544 66.428 64.092 10.724 1.00 0.00 WT1 H ATOM 19326 H2 TIP3 6544 65.766 64.802 9.561 1.00 0.00 WT1 H ATOM 19327 OH2 TIP3 6546 80.716 74.689 22.784 1.00 0.00 WT1 O ATOM 19328 H1 TIP3 6546 80.539 73.888 22.291 1.00 0.00 WT1 H ATOM 19329 H2 TIP3 6546 81.023 74.382 23.637 1.00 0.00 WT1 H ATOM 19330 OH2 TIP3 6547 35.994 42.252 41.078 1.00 0.00 WT1 O ATOM 19331 H1 TIP3 6547 35.826 41.313 40.997 1.00 0.00 WT1 H ATOM 19332 H2 TIP3 6547 36.096 42.557 40.176 1.00 0.00 WT1 H ATOM 19333 OH2 TIP3 6548 66.436 85.436 16.138 1.00 0.00 WT1 O ATOM 19334 H1 TIP3 6548 66.643 86.349 15.941 1.00 0.00 WT1 H ATOM 19335 H2 TIP3 6548 65.494 85.434 16.308 1.00 0.00 WT1 H ATOM 19336 OH2 TIP3 6549 55.418 40.459 -15.870 1.00 0.00 WT1 O ATOM 19337 H1 TIP3 6549 54.504 40.739 -15.824 1.00 0.00 WT1 H ATOM 19338 H2 TIP3 6549 55.750 40.858 -16.675 1.00 0.00 WT1 H ATOM 19339 OH2 TIP3 6551 62.953 26.398 27.480 1.00 0.00 WT1 O ATOM 19340 H1 TIP3 6551 62.186 26.958 27.598 1.00 0.00 WT1 H ATOM 19341 H2 TIP3 6551 62.732 25.843 26.732 1.00 0.00 WT1 H ATOM 19342 OH2 TIP3 6552 82.020 44.881 2.921 1.00 0.00 WT1 O ATOM 19343 H1 TIP3 6552 82.131 45.806 3.142 1.00 0.00 WT1 H ATOM 19344 H2 TIP3 6552 81.300 44.586 3.479 1.00 0.00 WT1 H ATOM 19345 OH2 TIP3 6553 39.952 56.129 28.992 1.00 0.00 WT1 O ATOM 19346 H1 TIP3 6553 40.812 56.377 28.652 1.00 0.00 WT1 H ATOM 19347 H2 TIP3 6553 39.771 56.770 29.680 1.00 0.00 WT1 H ATOM 19348 OH2 TIP3 6555 53.965 3.562 55.073 1.00 0.00 WT1 O ATOM 19349 H1 TIP3 6555 54.537 3.335 55.807 1.00 0.00 WT1 H ATOM 19350 H2 TIP3 6555 53.090 3.302 55.362 1.00 0.00 WT1 H ATOM 19351 OH2 TIP3 6556 55.734 19.140 51.442 1.00 0.00 WT1 O ATOM 19352 H1 TIP3 6556 56.466 18.697 51.013 1.00 0.00 WT1 H ATOM 19353 H2 TIP3 6556 55.214 19.496 50.722 1.00 0.00 WT1 H ATOM 19354 OH2 TIP3 6558 32.321 62.964 -14.768 1.00 0.00 WT1 O ATOM 19355 H1 TIP3 6558 33.081 62.390 -14.674 1.00 0.00 WT1 H ATOM 19356 H2 TIP3 6558 32.608 63.803 -14.410 1.00 0.00 WT1 H ATOM 19357 OH2 TIP3 6559 28.136 55.830 30.680 1.00 0.00 WT1 O ATOM 19358 H1 TIP3 6559 28.966 55.357 30.750 1.00 0.00 WT1 H ATOM 19359 H2 TIP3 6559 27.734 55.490 29.880 1.00 0.00 WT1 H ATOM 19360 OH2 TIP3 6560 26.402 85.092 14.091 1.00 0.00 WT1 O ATOM 19361 H1 TIP3 6560 26.775 85.266 13.226 1.00 0.00 WT1 H ATOM 19362 H2 TIP3 6560 27.156 84.868 14.636 1.00 0.00 WT1 H ATOM 19363 OH2 TIP3 6561 23.001 59.989 51.442 1.00 0.00 WT1 O ATOM 19364 H1 TIP3 6561 23.050 60.859 51.045 1.00 0.00 WT1 H ATOM 19365 H2 TIP3 6561 22.079 59.885 51.680 1.00 0.00 WT1 H ATOM 19366 OH2 TIP3 6564 70.094 82.546 18.307 1.00 0.00 WT1 O ATOM 19367 H1 TIP3 6564 69.897 82.255 19.198 1.00 0.00 WT1 H ATOM 19368 H2 TIP3 6564 69.246 82.801 17.945 1.00 0.00 WT1 H ATOM 19369 OH2 TIP3 6565 51.847 51.989 16.948 1.00 0.00 WT1 O ATOM 19370 H1 TIP3 6565 52.249 51.142 17.140 1.00 0.00 WT1 H ATOM 19371 H2 TIP3 6565 51.477 51.886 16.072 1.00 0.00 WT1 H ATOM 19372 OH2 TIP3 6566 52.627 69.572 10.803 1.00 0.00 WT1 O ATOM 19373 H1 TIP3 6566 52.807 69.454 11.736 1.00 0.00 WT1 H ATOM 19374 H2 TIP3 6566 53.488 69.534 10.386 1.00 0.00 WT1 H ATOM 19375 OH2 TIP3 6569 76.112 66.215 38.214 1.00 0.00 WT1 O ATOM 19376 H1 TIP3 6569 76.038 66.654 37.367 1.00 0.00 WT1 H ATOM 19377 H2 TIP3 6569 75.470 65.506 38.173 1.00 0.00 WT1 H ATOM 19378 OH2 TIP3 6570 54.823 39.480 64.666 1.00 0.00 WT1 O ATOM 19379 H1 TIP3 6570 55.523 39.020 64.202 1.00 0.00 WT1 H ATOM 19380 H2 TIP3 6570 54.046 38.938 64.525 1.00 0.00 WT1 H ATOM 19381 OH2 TIP3 6571 85.360 25.348 63.313 1.00 0.00 WT1 O ATOM 19382 H1 TIP3 6571 85.162 25.284 62.379 1.00 0.00 WT1 H ATOM 19383 H2 TIP3 6571 86.090 24.743 63.446 1.00 0.00 WT1 H ATOM 19384 OH2 TIP3 6573 20.451 47.265 5.339 1.00 0.00 WT1 O ATOM 19385 H1 TIP3 6573 20.985 47.730 4.695 1.00 0.00 WT1 H ATOM 19386 H2 TIP3 6573 20.477 47.820 6.118 1.00 0.00 WT1 H ATOM 19387 OH2 TIP3 6574 86.264 79.045 -2.826 1.00 0.00 WT1 O ATOM 19388 H1 TIP3 6574 86.339 78.195 -2.394 1.00 0.00 WT1 H ATOM 19389 H2 TIP3 6574 86.512 78.875 -3.735 1.00 0.00 WT1 H ATOM 19390 OH2 TIP3 6575 39.780 78.671 52.402 1.00 0.00 WT1 O ATOM 19391 H1 TIP3 6575 38.901 78.934 52.131 1.00 0.00 WT1 H ATOM 19392 H2 TIP3 6575 40.359 79.057 51.746 1.00 0.00 WT1 H ATOM 19393 OH2 TIP3 6576 31.597 44.442 0.861 1.00 0.00 WT1 O ATOM 19394 H1 TIP3 6576 30.671 44.203 0.895 1.00 0.00 WT1 H ATOM 19395 H2 TIP3 6576 32.048 43.712 1.287 1.00 0.00 WT1 H ATOM 19396 OH2 TIP3 6577 86.574 73.837 30.521 1.00 0.00 WT1 O ATOM 19397 H1 TIP3 6577 85.874 73.443 30.000 1.00 0.00 WT1 H ATOM 19398 H2 TIP3 6577 87.361 73.729 29.986 1.00 0.00 WT1 H ATOM 19399 OH2 TIP3 6578 23.091 57.530 8.202 1.00 0.00 WT1 O ATOM 19400 H1 TIP3 6578 23.150 57.325 9.135 1.00 0.00 WT1 H ATOM 19401 H2 TIP3 6578 23.623 58.318 8.095 1.00 0.00 WT1 H ATOM 19402 OH2 TIP3 6579 58.713 0.668 58.396 1.00 0.00 WT1 O ATOM 19403 H1 TIP3 6579 58.130 0.293 57.736 1.00 0.00 WT1 H ATOM 19404 H2 TIP3 6579 59.085 -0.090 58.846 1.00 0.00 WT1 H ATOM 19405 OH2 TIP3 6580 30.106 53.425 61.148 1.00 0.00 WT1 O ATOM 19406 H1 TIP3 6580 29.493 53.209 60.446 1.00 0.00 WT1 H ATOM 19407 H2 TIP3 6580 29.927 52.778 61.830 1.00 0.00 WT1 H ATOM 19408 OH2 TIP3 6581 32.070 40.576 26.674 1.00 0.00 WT1 O ATOM 19409 H1 TIP3 6581 32.887 40.370 26.220 1.00 0.00 WT1 H ATOM 19410 H2 TIP3 6581 31.727 41.343 26.215 1.00 0.00 WT1 H ATOM 19411 OH2 TIP3 6583 67.945 41.622 -14.455 1.00 0.00 WT1 O ATOM 19412 H1 TIP3 6583 67.261 41.338 -15.062 1.00 0.00 WT1 H ATOM 19413 H2 TIP3 6583 67.895 42.578 -14.468 1.00 0.00 WT1 H ATOM 19414 OH2 TIP3 6584 23.660 45.953 5.650 1.00 0.00 WT1 O ATOM 19415 H1 TIP3 6584 24.249 45.976 6.404 1.00 0.00 WT1 H ATOM 19416 H2 TIP3 6584 23.077 46.702 5.779 1.00 0.00 WT1 H ATOM 19417 OH2 TIP3 6585 49.073 79.605 16.325 1.00 0.00 WT1 O ATOM 19418 H1 TIP3 6585 48.485 79.069 16.856 1.00 0.00 WT1 H ATOM 19419 H2 TIP3 6585 48.995 80.485 16.694 1.00 0.00 WT1 H ATOM 19420 OH2 TIP3 6586 76.053 63.962 -7.694 1.00 0.00 WT1 O ATOM 19421 H1 TIP3 6586 76.469 64.412 -8.429 1.00 0.00 WT1 H ATOM 19422 H2 TIP3 6586 76.667 63.267 -7.460 1.00 0.00 WT1 H ATOM 19423 OH2 TIP3 6587 44.213 51.612 -10.313 1.00 0.00 WT1 O ATOM 19424 H1 TIP3 6587 45.137 51.606 -10.064 1.00 0.00 WT1 H ATOM 19425 H2 TIP3 6587 43.791 52.164 -9.654 1.00 0.00 WT1 H ATOM 19426 OH2 TIP3 6589 71.540 68.754 54.402 1.00 0.00 WT1 O ATOM 19427 H1 TIP3 6589 72.259 68.127 54.328 1.00 0.00 WT1 H ATOM 19428 H2 TIP3 6589 71.842 69.524 53.920 1.00 0.00 WT1 H ATOM 19429 OH2 TIP3 6590 89.186 58.279 58.900 1.00 0.00 WT1 O ATOM 19430 H1 TIP3 6590 89.303 59.199 58.664 1.00 0.00 WT1 H ATOM 19431 H2 TIP3 6590 89.969 58.059 59.404 1.00 0.00 WT1 H ATOM 19432 OH2 TIP3 6592 59.705 90.832 39.481 1.00 0.00 WT1 O ATOM 19433 H1 TIP3 6592 60.228 90.039 39.603 1.00 0.00 WT1 H ATOM 19434 H2 TIP3 6592 58.933 90.538 38.998 1.00 0.00 WT1 H ATOM 19435 OH2 TIP3 6594 41.476 89.135 36.796 1.00 0.00 WT1 O ATOM 19436 H1 TIP3 6594 41.662 88.269 36.433 1.00 0.00 WT1 H ATOM 19437 H2 TIP3 6594 41.858 89.746 36.166 1.00 0.00 WT1 H ATOM 19438 OH2 TIP3 6595 69.825 0.525 23.416 1.00 0.00 WT1 O ATOM 19439 H1 TIP3 6595 70.298 0.909 22.677 1.00 0.00 WT1 H ATOM 19440 H2 TIP3 6595 69.304 -0.179 23.028 1.00 0.00 WT1 H ATOM 19441 OH2 TIP3 6596 54.783 23.691 57.040 1.00 0.00 WT1 O ATOM 19442 H1 TIP3 6596 54.560 23.408 56.153 1.00 0.00 WT1 H ATOM 19443 H2 TIP3 6596 55.409 24.404 56.914 1.00 0.00 WT1 H ATOM 19444 OH2 TIP3 6597 69.693 3.473 -4.328 1.00 0.00 WT1 O ATOM 19445 H1 TIP3 6597 69.416 2.563 -4.431 1.00 0.00 WT1 H ATOM 19446 H2 TIP3 6597 68.893 3.983 -4.455 1.00 0.00 WT1 H ATOM 19447 OH2 TIP3 6598 46.174 68.282 62.741 1.00 0.00 WT1 O ATOM 19448 H1 TIP3 6598 47.074 68.364 62.425 1.00 0.00 WT1 H ATOM 19449 H2 TIP3 6598 45.668 68.870 62.180 1.00 0.00 WT1 H ATOM 19450 OH2 TIP3 6600 43.868 57.941 -7.392 1.00 0.00 WT1 O ATOM 19451 H1 TIP3 6600 43.669 58.747 -6.915 1.00 0.00 WT1 H ATOM 19452 H2 TIP3 6600 44.512 57.492 -6.844 1.00 0.00 WT1 H ATOM 19453 OH2 TIP3 6601 51.174 23.075 -16.745 1.00 0.00 WT1 O ATOM 19454 H1 TIP3 6601 51.490 22.208 -16.492 1.00 0.00 WT1 H ATOM 19455 H2 TIP3 6601 51.581 23.671 -16.116 1.00 0.00 WT1 H ATOM 19456 OH2 TIP3 6602 89.565 79.852 -1.553 1.00 0.00 WT1 O ATOM 19457 H1 TIP3 6602 88.656 79.647 -1.775 1.00 0.00 WT1 H ATOM 19458 H2 TIP3 6602 89.740 79.340 -0.763 1.00 0.00 WT1 H ATOM 19459 OH2 TIP3 6603 56.973 68.657 -1.298 1.00 0.00 WT1 O ATOM 19460 H1 TIP3 6603 56.715 68.666 -0.376 1.00 0.00 WT1 H ATOM 19461 H2 TIP3 6603 56.936 67.734 -1.548 1.00 0.00 WT1 H ATOM 19462 OH2 TIP3 6604 50.214 3.903 14.373 1.00 0.00 WT1 O ATOM 19463 H1 TIP3 6604 49.569 4.366 13.839 1.00 0.00 WT1 H ATOM 19464 H2 TIP3 6604 50.664 4.594 14.859 1.00 0.00 WT1 H ATOM 19465 OH2 TIP3 6606 75.728 54.631 43.806 1.00 0.00 WT1 O ATOM 19466 H1 TIP3 6606 76.100 53.749 43.820 1.00 0.00 WT1 H ATOM 19467 H2 TIP3 6606 76.486 55.211 43.744 1.00 0.00 WT1 H ATOM 19468 OH2 TIP3 6607 56.304 62.440 23.141 1.00 0.00 WT1 O ATOM 19469 H1 TIP3 6607 55.890 62.800 22.357 1.00 0.00 WT1 H ATOM 19470 H2 TIP3 6607 56.206 61.492 23.051 1.00 0.00 WT1 H ATOM 19471 OH2 TIP3 6608 73.677 40.973 35.253 1.00 0.00 WT1 O ATOM 19472 H1 TIP3 6608 73.893 41.576 34.542 1.00 0.00 WT1 H ATOM 19473 H2 TIP3 6608 72.751 40.771 35.124 1.00 0.00 WT1 H ATOM 19474 OH2 TIP3 6609 58.035 57.974 27.631 1.00 0.00 WT1 O ATOM 19475 H1 TIP3 6609 57.320 57.970 26.994 1.00 0.00 WT1 H ATOM 19476 H2 TIP3 6609 58.116 57.060 27.906 1.00 0.00 WT1 H ATOM 19477 OH2 TIP3 6610 36.957 49.086 23.604 1.00 0.00 WT1 O ATOM 19478 H1 TIP3 6610 37.811 49.502 23.725 1.00 0.00 WT1 H ATOM 19479 H2 TIP3 6610 36.872 48.493 24.351 1.00 0.00 WT1 H ATOM 19480 OH2 TIP3 6611 64.316 66.331 38.620 1.00 0.00 WT1 O ATOM 19481 H1 TIP3 6611 63.788 67.087 38.366 1.00 0.00 WT1 H ATOM 19482 H2 TIP3 6611 63.681 65.692 38.944 1.00 0.00 WT1 H ATOM 19483 OH2 TIP3 6613 74.122 2.324 32.680 1.00 0.00 WT1 O ATOM 19484 H1 TIP3 6613 74.099 2.567 33.605 1.00 0.00 WT1 H ATOM 19485 H2 TIP3 6613 73.265 2.584 32.342 1.00 0.00 WT1 H ATOM 19486 OH2 TIP3 6614 41.406 64.430 -19.846 1.00 0.00 WT1 O ATOM 19487 H1 TIP3 6614 40.554 64.595 -19.442 1.00 0.00 WT1 H ATOM 19488 H2 TIP3 6614 41.623 63.532 -19.592 1.00 0.00 WT1 H ATOM 19489 OH2 TIP3 6615 35.914 25.750 60.758 1.00 0.00 WT1 O ATOM 19490 H1 TIP3 6615 35.117 26.203 60.484 1.00 0.00 WT1 H ATOM 19491 H2 TIP3 6615 35.993 25.015 60.150 1.00 0.00 WT1 H ATOM 19492 OH2 TIP3 6616 48.151 19.635 23.972 1.00 0.00 WT1 O ATOM 19493 H1 TIP3 6616 48.614 20.165 24.621 1.00 0.00 WT1 H ATOM 19494 H2 TIP3 6616 47.232 19.683 24.234 1.00 0.00 WT1 H ATOM 19495 OH2 TIP3 6618 73.454 68.794 -6.011 1.00 0.00 WT1 O ATOM 19496 H1 TIP3 6618 72.797 69.367 -5.615 1.00 0.00 WT1 H ATOM 19497 H2 TIP3 6618 73.377 67.972 -5.526 1.00 0.00 WT1 H ATOM 19498 OH2 TIP3 6620 76.583 82.861 61.166 1.00 0.00 WT1 O ATOM 19499 H1 TIP3 6620 77.245 83.242 60.588 1.00 0.00 WT1 H ATOM 19500 H2 TIP3 6620 76.725 83.292 62.009 1.00 0.00 WT1 H ATOM 19501 OH2 TIP3 6621 60.337 12.895 56.457 1.00 0.00 WT1 O ATOM 19502 H1 TIP3 6621 60.720 12.019 56.414 1.00 0.00 WT1 H ATOM 19503 H2 TIP3 6621 60.601 13.231 57.314 1.00 0.00 WT1 H ATOM 19504 OH2 TIP3 6622 21.252 94.663 -1.136 1.00 0.00 WT1 O ATOM 19505 H1 TIP3 6622 20.413 94.547 -0.691 1.00 0.00 WT1 H ATOM 19506 H2 TIP3 6622 21.159 95.488 -1.613 1.00 0.00 WT1 H ATOM 19507 OH2 TIP3 6623 88.425 26.896 15.318 1.00 0.00 WT1 O ATOM 19508 H1 TIP3 6623 88.497 26.015 14.951 1.00 0.00 WT1 H ATOM 19509 H2 TIP3 6623 87.526 26.948 15.643 1.00 0.00 WT1 H ATOM 19510 OH2 TIP3 6625 79.084 38.937 11.149 1.00 0.00 WT1 O ATOM 19511 H1 TIP3 6625 78.868 38.613 12.024 1.00 0.00 WT1 H ATOM 19512 H2 TIP3 6625 78.744 39.832 11.135 1.00 0.00 WT1 H ATOM 19513 OH2 TIP3 6626 47.940 51.640 18.642 1.00 0.00 WT1 O ATOM 19514 H1 TIP3 6626 48.795 51.562 19.065 1.00 0.00 WT1 H ATOM 19515 H2 TIP3 6626 47.953 52.504 18.231 1.00 0.00 WT1 H ATOM 19516 OH2 TIP3 6627 45.038 54.681 67.216 1.00 0.00 WT1 O ATOM 19517 H1 TIP3 6627 45.386 55.077 66.417 1.00 0.00 WT1 H ATOM 19518 H2 TIP3 6627 45.752 54.748 67.849 1.00 0.00 WT1 H ATOM 19519 OH2 TIP3 6628 69.430 37.388 27.031 1.00 0.00 WT1 O ATOM 19520 H1 TIP3 6628 70.035 37.479 26.295 1.00 0.00 WT1 H ATOM 19521 H2 TIP3 6628 68.932 38.206 27.035 1.00 0.00 WT1 H ATOM 19522 OH2 TIP3 6629 70.805 64.610 22.096 1.00 0.00 WT1 O ATOM 19523 H1 TIP3 6629 71.006 63.771 22.509 1.00 0.00 WT1 H ATOM 19524 H2 TIP3 6629 69.861 64.715 22.214 1.00 0.00 WT1 H ATOM 19525 OH2 TIP3 6630 89.720 23.186 63.373 1.00 0.00 WT1 O ATOM 19526 H1 TIP3 6630 89.984 23.779 64.076 1.00 0.00 WT1 H ATOM 19527 H2 TIP3 6630 90.295 22.426 63.472 1.00 0.00 WT1 H ATOM 19528 OH2 TIP3 6631 50.999 61.614 13.630 1.00 0.00 WT1 O ATOM 19529 H1 TIP3 6631 50.652 61.653 14.521 1.00 0.00 WT1 H ATOM 19530 H2 TIP3 6631 51.940 61.760 13.733 1.00 0.00 WT1 H ATOM 19531 OH2 TIP3 6632 43.073 4.625 26.916 1.00 0.00 WT1 O ATOM 19532 H1 TIP3 6632 42.322 4.979 26.439 1.00 0.00 WT1 H ATOM 19533 H2 TIP3 6632 43.312 5.315 27.535 1.00 0.00 WT1 H ATOM 19534 OH2 TIP3 6633 80.292 69.557 -8.263 1.00 0.00 WT1 O ATOM 19535 H1 TIP3 6633 79.541 69.789 -7.717 1.00 0.00 WT1 H ATOM 19536 H2 TIP3 6633 80.881 70.309 -8.193 1.00 0.00 WT1 H ATOM 19537 OH2 TIP3 6634 89.044 79.018 58.957 1.00 0.00 WT1 O ATOM 19538 H1 TIP3 6634 88.562 78.545 58.279 1.00 0.00 WT1 H ATOM 19539 H2 TIP3 6634 88.806 78.577 59.773 1.00 0.00 WT1 H ATOM 19540 OH2 TIP3 6635 31.059 30.019 40.312 1.00 0.00 WT1 O ATOM 19541 H1 TIP3 6635 30.783 29.733 41.183 1.00 0.00 WT1 H ATOM 19542 H2 TIP3 6635 31.439 30.886 40.453 1.00 0.00 WT1 H ATOM 19543 OH2 TIP3 6636 80.536 28.160 -4.780 1.00 0.00 WT1 O ATOM 19544 H1 TIP3 6636 80.632 27.264 -5.103 1.00 0.00 WT1 H ATOM 19545 H2 TIP3 6636 81.426 28.512 -4.781 1.00 0.00 WT1 H ATOM 19546 OH2 TIP3 6637 45.064 17.437 -15.100 1.00 0.00 WT1 O ATOM 19547 H1 TIP3 6637 45.725 18.092 -15.321 1.00 0.00 WT1 H ATOM 19548 H2 TIP3 6637 45.520 16.599 -15.180 1.00 0.00 WT1 H ATOM 19549 OH2 TIP3 6638 52.521 31.956 55.711 1.00 0.00 WT1 O ATOM 19550 H1 TIP3 6638 52.493 32.160 54.776 1.00 0.00 WT1 H ATOM 19551 H2 TIP3 6638 51.745 31.415 55.861 1.00 0.00 WT1 H ATOM 19552 OH2 TIP3 6639 54.903 25.102 43.202 1.00 0.00 WT1 O ATOM 19553 H1 TIP3 6639 54.187 24.714 42.698 1.00 0.00 WT1 H ATOM 19554 H2 TIP3 6639 54.809 26.045 43.065 1.00 0.00 WT1 H ATOM 19555 OH2 TIP3 6640 50.580 73.083 66.568 1.00 0.00 WT1 O ATOM 19556 H1 TIP3 6640 50.250 72.761 65.729 1.00 0.00 WT1 H ATOM 19557 H2 TIP3 6640 51.120 72.368 66.903 1.00 0.00 WT1 H ATOM 19558 OH2 TIP3 6641 75.177 0.737 7.834 1.00 0.00 WT1 O ATOM 19559 H1 TIP3 6641 74.935 0.996 8.723 1.00 0.00 WT1 H ATOM 19560 H2 TIP3 6641 74.429 0.997 7.296 1.00 0.00 WT1 H ATOM 19561 OH2 TIP3 6642 20.824 3.347 4.035 1.00 0.00 WT1 O ATOM 19562 H1 TIP3 6642 19.992 2.984 4.337 1.00 0.00 WT1 H ATOM 19563 H2 TIP3 6642 20.915 4.171 4.513 1.00 0.00 WT1 H ATOM 19564 OH2 TIP3 6643 85.179 55.210 0.568 1.00 0.00 WT1 O ATOM 19565 H1 TIP3 6643 86.101 55.450 0.661 1.00 0.00 WT1 H ATOM 19566 H2 TIP3 6643 84.705 55.884 1.055 1.00 0.00 WT1 H ATOM 19567 OH2 TIP3 6644 84.691 90.156 47.190 1.00 0.00 WT1 O ATOM 19568 H1 TIP3 6644 84.373 90.906 46.688 1.00 0.00 WT1 H ATOM 19569 H2 TIP3 6644 84.626 89.417 46.585 1.00 0.00 WT1 H ATOM 19570 OH2 TIP3 6645 26.343 67.180 23.217 1.00 0.00 WT1 O ATOM 19571 H1 TIP3 6645 26.060 66.350 23.601 1.00 0.00 WT1 H ATOM 19572 H2 TIP3 6645 27.299 67.124 23.201 1.00 0.00 WT1 H ATOM 19573 OH2 TIP3 6647 29.428 50.225 8.183 1.00 0.00 WT1 O ATOM 19574 H1 TIP3 6647 30.160 49.702 7.856 1.00 0.00 WT1 H ATOM 19575 H2 TIP3 6647 29.128 50.720 7.421 1.00 0.00 WT1 H ATOM 19576 OH2 TIP3 6648 50.251 40.361 59.254 1.00 0.00 WT1 O ATOM 19577 H1 TIP3 6648 50.860 40.631 58.567 1.00 0.00 WT1 H ATOM 19578 H2 TIP3 6648 50.070 41.164 59.743 1.00 0.00 WT1 H ATOM 19579 OH2 TIP3 6649 62.464 43.927 -19.838 1.00 0.00 WT1 O ATOM 19580 H1 TIP3 6649 62.380 44.291 -18.956 1.00 0.00 WT1 H ATOM 19581 H2 TIP3 6649 63.124 44.475 -20.262 1.00 0.00 WT1 H ATOM 19582 OH2 TIP3 6650 33.687 93.763 28.129 1.00 0.00 WT1 O ATOM 19583 H1 TIP3 6650 34.363 93.174 28.464 1.00 0.00 WT1 H ATOM 19584 H2 TIP3 6650 33.582 94.422 28.815 1.00 0.00 WT1 H ATOM 19585 OH2 TIP3 6651 83.510 64.518 7.336 1.00 0.00 WT1 O ATOM 19586 H1 TIP3 6651 82.661 64.704 6.934 1.00 0.00 WT1 H ATOM 19587 H2 TIP3 6651 83.677 63.599 7.127 1.00 0.00 WT1 H ATOM 19588 OH2 TIP3 6652 32.633 88.603 52.136 1.00 0.00 WT1 O ATOM 19589 H1 TIP3 6652 32.396 88.208 51.297 1.00 0.00 WT1 H ATOM 19590 H2 TIP3 6652 33.363 88.071 52.453 1.00 0.00 WT1 H ATOM 19591 OH2 TIP3 6653 36.164 71.471 60.952 1.00 0.00 WT1 O ATOM 19592 H1 TIP3 6653 35.586 70.713 61.043 1.00 0.00 WT1 H ATOM 19593 H2 TIP3 6653 36.775 71.396 61.685 1.00 0.00 WT1 H ATOM 19594 OH2 TIP3 6654 55.841 40.034 -5.929 1.00 0.00 WT1 O ATOM 19595 H1 TIP3 6654 56.323 39.531 -6.585 1.00 0.00 WT1 H ATOM 19596 H2 TIP3 6654 56.511 40.553 -5.483 1.00 0.00 WT1 H ATOM 19597 OH2 TIP3 6655 68.461 19.749 63.569 1.00 0.00 WT1 O ATOM 19598 H1 TIP3 6655 68.648 19.424 64.449 1.00 0.00 WT1 H ATOM 19599 H2 TIP3 6655 68.843 19.093 62.985 1.00 0.00 WT1 H ATOM 19600 OH2 TIP3 6656 38.448 15.906 4.208 1.00 0.00 WT1 O ATOM 19601 H1 TIP3 6656 38.119 15.440 3.440 1.00 0.00 WT1 H ATOM 19602 H2 TIP3 6656 37.665 16.271 4.621 1.00 0.00 WT1 H ATOM 19603 OH2 TIP3 6657 72.258 41.412 11.054 1.00 0.00 WT1 O ATOM 19604 H1 TIP3 6657 71.714 41.650 11.804 1.00 0.00 WT1 H ATOM 19605 H2 TIP3 6657 73.104 41.178 11.435 1.00 0.00 WT1 H ATOM 19606 OH2 TIP3 6658 29.552 83.952 -3.409 1.00 0.00 WT1 O ATOM 19607 H1 TIP3 6658 29.143 84.029 -2.547 1.00 0.00 WT1 H ATOM 19608 H2 TIP3 6658 29.406 83.041 -3.663 1.00 0.00 WT1 H ATOM 19609 OH2 TIP3 6659 27.796 95.731 29.586 1.00 0.00 WT1 O ATOM 19610 H1 TIP3 6659 27.889 94.860 29.971 1.00 0.00 WT1 H ATOM 19611 H2 TIP3 6659 26.950 96.046 29.906 1.00 0.00 WT1 H ATOM 19612 OH2 TIP3 6660 89.773 19.168 -12.034 1.00 0.00 WT1 O ATOM 19613 H1 TIP3 6660 89.862 19.754 -11.282 1.00 0.00 WT1 H ATOM 19614 H2 TIP3 6660 90.353 19.540 -12.698 1.00 0.00 WT1 H ATOM 19615 OH2 TIP3 6661 33.277 64.867 15.734 1.00 0.00 WT1 O ATOM 19616 H1 TIP3 6661 34.143 64.994 15.347 1.00 0.00 WT1 H ATOM 19617 H2 TIP3 6661 33.417 64.225 16.430 1.00 0.00 WT1 H ATOM 19618 OH2 TIP3 6662 30.357 88.322 64.126 1.00 0.00 WT1 O ATOM 19619 H1 TIP3 6662 30.583 88.812 64.916 1.00 0.00 WT1 H ATOM 19620 H2 TIP3 6662 30.925 87.552 64.150 1.00 0.00 WT1 H ATOM 19621 OH2 TIP3 6663 41.949 91.316 31.533 1.00 0.00 WT1 O ATOM 19622 H1 TIP3 6663 41.461 92.091 31.813 1.00 0.00 WT1 H ATOM 19623 H2 TIP3 6663 41.733 91.219 30.606 1.00 0.00 WT1 H ATOM 19624 OH2 TIP3 6664 74.692 66.576 0.380 1.00 0.00 WT1 O ATOM 19625 H1 TIP3 6664 74.762 65.661 0.107 1.00 0.00 WT1 H ATOM 19626 H2 TIP3 6664 74.020 66.572 1.062 1.00 0.00 WT1 H ATOM 19627 OH2 TIP3 6665 73.969 92.238 2.783 1.00 0.00 WT1 O ATOM 19628 H1 TIP3 6665 74.221 91.914 3.648 1.00 0.00 WT1 H ATOM 19629 H2 TIP3 6665 73.187 91.734 2.557 1.00 0.00 WT1 H ATOM 19630 OH2 TIP3 6666 71.629 76.955 13.031 1.00 0.00 WT1 O ATOM 19631 H1 TIP3 6666 70.896 76.542 12.575 1.00 0.00 WT1 H ATOM 19632 H2 TIP3 6666 72.394 76.748 12.494 1.00 0.00 WT1 H ATOM 19633 OH2 TIP3 6667 55.801 72.510 7.587 1.00 0.00 WT1 O ATOM 19634 H1 TIP3 6667 55.983 71.581 7.733 1.00 0.00 WT1 H ATOM 19635 H2 TIP3 6667 54.922 72.641 7.942 1.00 0.00 WT1 H ATOM 19636 OH2 TIP3 6668 63.966 50.564 27.588 1.00 0.00 WT1 O ATOM 19637 H1 TIP3 6668 63.314 50.859 28.224 1.00 0.00 WT1 H ATOM 19638 H2 TIP3 6668 63.573 50.755 26.737 1.00 0.00 WT1 H ATOM 19639 OH2 TIP3 6669 69.531 59.196 65.731 1.00 0.00 WT1 O ATOM 19640 H1 TIP3 6669 68.851 59.089 65.065 1.00 0.00 WT1 H ATOM 19641 H2 TIP3 6669 69.358 60.056 66.114 1.00 0.00 WT1 H ATOM 19642 OH2 TIP3 6670 83.848 59.551 26.002 1.00 0.00 WT1 O ATOM 19643 H1 TIP3 6670 84.646 59.157 25.649 1.00 0.00 WT1 H ATOM 19644 H2 TIP3 6670 84.160 60.240 26.588 1.00 0.00 WT1 H ATOM 19645 OH2 TIP3 6671 33.187 92.292 54.339 1.00 0.00 WT1 O ATOM 19646 H1 TIP3 6671 32.357 92.743 54.494 1.00 0.00 WT1 H ATOM 19647 H2 TIP3 6671 33.849 92.981 54.397 1.00 0.00 WT1 H ATOM 19648 OH2 TIP3 6672 50.191 38.485 55.639 1.00 0.00 WT1 O ATOM 19649 H1 TIP3 6672 49.621 38.756 56.359 1.00 0.00 WT1 H ATOM 19650 H2 TIP3 6672 50.960 38.112 56.068 1.00 0.00 WT1 H ATOM 19651 OH2 TIP3 6673 82.231 94.415 34.811 1.00 0.00 WT1 O ATOM 19652 H1 TIP3 6673 81.642 95.169 34.851 1.00 0.00 WT1 H ATOM 19653 H2 TIP3 6673 82.935 94.692 34.225 1.00 0.00 WT1 H ATOM 19654 OH2 TIP3 6674 70.793 83.014 61.255 1.00 0.00 WT1 O ATOM 19655 H1 TIP3 6674 71.385 83.319 61.942 1.00 0.00 WT1 H ATOM 19656 H2 TIP3 6674 69.933 83.342 61.516 1.00 0.00 WT1 H ATOM 19657 OH2 TIP3 6677 57.575 41.179 55.379 1.00 0.00 WT1 O ATOM 19658 H1 TIP3 6677 57.298 41.759 56.088 1.00 0.00 WT1 H ATOM 19659 H2 TIP3 6677 58.265 41.665 54.927 1.00 0.00 WT1 H ATOM 19660 OH2 TIP3 6678 54.857 60.865 19.781 1.00 0.00 WT1 O ATOM 19661 H1 TIP3 6678 54.209 60.788 19.081 1.00 0.00 WT1 H ATOM 19662 H2 TIP3 6678 54.603 60.197 20.418 1.00 0.00 WT1 H ATOM 19663 OH2 TIP3 6679 60.035 79.733 27.523 1.00 0.00 WT1 O ATOM 19664 H1 TIP3 6679 60.186 80.312 28.270 1.00 0.00 WT1 H ATOM 19665 H2 TIP3 6679 60.803 79.855 26.965 1.00 0.00 WT1 H ATOM 19666 OH2 TIP3 6680 58.847 13.785 53.678 1.00 0.00 WT1 O ATOM 19667 H1 TIP3 6680 59.646 14.234 53.955 1.00 0.00 WT1 H ATOM 19668 H2 TIP3 6680 59.095 13.325 52.877 1.00 0.00 WT1 H ATOM 19669 OH2 TIP3 6681 72.572 38.056 -5.860 1.00 0.00 WT1 O ATOM 19670 H1 TIP3 6681 72.547 38.935 -6.236 1.00 0.00 WT1 H ATOM 19671 H2 TIP3 6681 71.915 38.073 -5.165 1.00 0.00 WT1 H ATOM 19672 OH2 TIP3 6682 57.331 20.196 64.604 1.00 0.00 WT1 O ATOM 19673 H1 TIP3 6682 57.846 20.920 64.250 1.00 0.00 WT1 H ATOM 19674 H2 TIP3 6682 57.259 20.387 65.539 1.00 0.00 WT1 H ATOM 19675 OH2 TIP3 6683 46.623 2.442 8.061 1.00 0.00 WT1 O ATOM 19676 H1 TIP3 6683 46.623 3.310 8.465 1.00 0.00 WT1 H ATOM 19677 H2 TIP3 6683 46.424 1.842 8.780 1.00 0.00 WT1 H ATOM 19678 OH2 TIP3 6684 32.268 90.143 18.377 1.00 0.00 WT1 O ATOM 19679 H1 TIP3 6684 32.652 89.268 18.320 1.00 0.00 WT1 H ATOM 19680 H2 TIP3 6684 31.324 89.995 18.316 1.00 0.00 WT1 H ATOM 19681 OH2 TIP3 6685 40.614 5.506 25.948 1.00 0.00 WT1 O ATOM 19682 H1 TIP3 6685 40.157 5.080 25.222 1.00 0.00 WT1 H ATOM 19683 H2 TIP3 6685 40.291 6.407 25.938 1.00 0.00 WT1 H ATOM 19684 OH2 TIP3 6686 24.341 22.093 2.099 1.00 0.00 WT1 O ATOM 19685 H1 TIP3 6686 23.929 22.234 2.951 1.00 0.00 WT1 H ATOM 19686 H2 TIP3 6686 24.354 22.959 1.692 1.00 0.00 WT1 H ATOM 19687 OH2 TIP3 6687 50.695 90.408 41.551 1.00 0.00 WT1 O ATOM 19688 H1 TIP3 6687 51.250 90.036 40.866 1.00 0.00 WT1 H ATOM 19689 H2 TIP3 6687 50.189 91.089 41.107 1.00 0.00 WT1 H ATOM 19690 OH2 TIP3 6688 39.601 52.659 54.411 1.00 0.00 WT1 O ATOM 19691 H1 TIP3 6688 38.815 52.156 54.194 1.00 0.00 WT1 H ATOM 19692 H2 TIP3 6688 40.156 52.583 53.635 1.00 0.00 WT1 H ATOM 19693 OH2 TIP3 6689 27.810 3.410 -4.998 1.00 0.00 WT1 O ATOM 19694 H1 TIP3 6689 28.751 3.361 -4.830 1.00 0.00 WT1 H ATOM 19695 H2 TIP3 6689 27.607 4.344 -4.952 1.00 0.00 WT1 H ATOM 19696 OH2 TIP3 6690 26.078 19.244 43.306 1.00 0.00 WT1 O ATOM 19697 H1 TIP3 6690 26.429 20.134 43.268 1.00 0.00 WT1 H ATOM 19698 H2 TIP3 6690 26.161 18.916 42.410 1.00 0.00 WT1 H ATOM 19699 OH2 TIP3 6691 84.624 21.973 60.684 1.00 0.00 WT1 O ATOM 19700 H1 TIP3 6691 85.490 22.002 60.277 1.00 0.00 WT1 H ATOM 19701 H2 TIP3 6691 84.689 21.274 61.335 1.00 0.00 WT1 H ATOM 19702 OH2 TIP3 6692 85.425 39.204 -11.793 1.00 0.00 WT1 O ATOM 19703 H1 TIP3 6692 85.956 38.948 -11.039 1.00 0.00 WT1 H ATOM 19704 H2 TIP3 6692 84.552 38.863 -11.599 1.00 0.00 WT1 H ATOM 19705 OH2 TIP3 6693 55.743 94.434 38.202 1.00 0.00 WT1 O ATOM 19706 H1 TIP3 6693 55.202 93.648 38.277 1.00 0.00 WT1 H ATOM 19707 H2 TIP3 6693 55.134 95.120 37.929 1.00 0.00 WT1 H ATOM 19708 OH2 TIP3 6694 71.030 67.744 33.212 1.00 0.00 WT1 O ATOM 19709 H1 TIP3 6694 71.127 66.936 32.708 1.00 0.00 WT1 H ATOM 19710 H2 TIP3 6694 70.163 68.073 32.974 1.00 0.00 WT1 H ATOM 19711 OH2 TIP3 6695 38.114 7.979 34.656 1.00 0.00 WT1 O ATOM 19712 H1 TIP3 6695 38.461 8.784 34.272 1.00 0.00 WT1 H ATOM 19713 H2 TIP3 6695 37.210 8.194 34.888 1.00 0.00 WT1 H ATOM 19714 OH2 TIP3 6696 86.761 87.168 35.832 1.00 0.00 WT1 O ATOM 19715 H1 TIP3 6696 86.062 86.554 35.609 1.00 0.00 WT1 H ATOM 19716 H2 TIP3 6696 86.347 87.800 36.420 1.00 0.00 WT1 H ATOM 19717 OH2 TIP3 6697 75.023 65.902 25.992 1.00 0.00 WT1 O ATOM 19718 H1 TIP3 6697 74.938 64.949 26.021 1.00 0.00 WT1 H ATOM 19719 H2 TIP3 6697 74.414 66.176 25.306 1.00 0.00 WT1 H ATOM 19720 OH2 TIP3 6698 77.988 21.345 -14.502 1.00 0.00 WT1 O ATOM 19721 H1 TIP3 6698 77.734 21.633 -15.379 1.00 0.00 WT1 H ATOM 19722 H2 TIP3 6698 78.254 22.148 -14.054 1.00 0.00 WT1 H ATOM 19723 OH2 TIP3 6699 83.735 75.193 21.844 1.00 0.00 WT1 O ATOM 19724 H1 TIP3 6699 82.871 75.539 22.067 1.00 0.00 WT1 H ATOM 19725 H2 TIP3 6699 84.150 75.021 22.689 1.00 0.00 WT1 H ATOM 19726 OH2 TIP3 6700 57.579 77.384 -11.976 1.00 0.00 WT1 O ATOM 19727 H1 TIP3 6700 58.366 77.156 -11.480 1.00 0.00 WT1 H ATOM 19728 H2 TIP3 6700 57.856 77.354 -12.892 1.00 0.00 WT1 H ATOM 19729 OH2 TIP3 6701 24.060 13.715 -18.406 1.00 0.00 WT1 O ATOM 19730 H1 TIP3 6701 23.688 14.593 -18.479 1.00 0.00 WT1 H ATOM 19731 H2 TIP3 6701 24.881 13.760 -18.896 1.00 0.00 WT1 H ATOM 19732 OH2 TIP3 6702 88.546 0.506 50.256 1.00 0.00 WT1 O ATOM 19733 H1 TIP3 6702 87.735 1.011 50.318 1.00 0.00 WT1 H ATOM 19734 H2 TIP3 6702 89.200 1.046 50.700 1.00 0.00 WT1 H ATOM 19735 OH2 TIP3 6703 48.421 7.322 9.914 1.00 0.00 WT1 O ATOM 19736 H1 TIP3 6703 48.109 8.179 9.622 1.00 0.00 WT1 H ATOM 19737 H2 TIP3 6703 48.130 6.716 9.233 1.00 0.00 WT1 H ATOM 19738 OH2 TIP3 6704 37.321 52.256 -17.846 1.00 0.00 WT1 O ATOM 19739 H1 TIP3 6704 37.503 52.787 -18.622 1.00 0.00 WT1 H ATOM 19740 H2 TIP3 6704 36.382 52.366 -17.695 1.00 0.00 WT1 H ATOM 19741 OH2 TIP3 6705 55.309 4.378 -16.086 1.00 0.00 WT1 O ATOM 19742 H1 TIP3 6705 56.062 4.961 -16.186 1.00 0.00 WT1 H ATOM 19743 H2 TIP3 6705 55.120 4.077 -16.975 1.00 0.00 WT1 H ATOM 19744 OH2 TIP3 6706 63.846 84.052 -6.665 1.00 0.00 WT1 O ATOM 19745 H1 TIP3 6706 64.214 84.052 -7.549 1.00 0.00 WT1 H ATOM 19746 H2 TIP3 6706 62.993 84.476 -6.761 1.00 0.00 WT1 H ATOM 19747 OH2 TIP3 6707 28.793 38.466 44.792 1.00 0.00 WT1 O ATOM 19748 H1 TIP3 6707 29.497 38.296 45.418 1.00 0.00 WT1 H ATOM 19749 H2 TIP3 6707 28.948 39.362 44.494 1.00 0.00 WT1 H ATOM 19750 OH2 TIP3 6708 84.590 19.383 62.077 1.00 0.00 WT1 O ATOM 19751 H1 TIP3 6708 84.456 18.887 62.884 1.00 0.00 WT1 H ATOM 19752 H2 TIP3 6708 84.701 18.716 61.400 1.00 0.00 WT1 H ATOM 19753 OH2 TIP3 6709 27.998 12.394 -16.816 1.00 0.00 WT1 O ATOM 19754 H1 TIP3 6709 28.338 11.864 -16.094 1.00 0.00 WT1 H ATOM 19755 H2 TIP3 6709 27.105 12.076 -16.947 1.00 0.00 WT1 H ATOM 19756 OH2 TIP3 6710 28.990 22.351 52.012 1.00 0.00 WT1 O ATOM 19757 H1 TIP3 6710 28.678 21.725 51.359 1.00 0.00 WT1 H ATOM 19758 H2 TIP3 6710 29.851 22.019 52.269 1.00 0.00 WT1 H ATOM 19759 OH2 TIP3 6711 20.769 33.454 5.292 1.00 0.00 WT1 O ATOM 19760 H1 TIP3 6711 20.208 32.688 5.413 1.00 0.00 WT1 H ATOM 19761 H2 TIP3 6711 21.616 33.190 5.651 1.00 0.00 WT1 H ATOM 19762 OH2 TIP3 6712 30.845 26.142 -6.438 1.00 0.00 WT1 O ATOM 19763 H1 TIP3 6712 30.554 26.680 -7.174 1.00 0.00 WT1 H ATOM 19764 H2 TIP3 6712 31.698 26.505 -6.197 1.00 0.00 WT1 H ATOM 19765 OH2 TIP3 6713 54.870 4.843 10.041 1.00 0.00 WT1 O ATOM 19766 H1 TIP3 6713 54.317 4.197 10.480 1.00 0.00 WT1 H ATOM 19767 H2 TIP3 6713 55.690 4.831 10.533 1.00 0.00 WT1 H ATOM 19768 OH2 TIP3 6714 65.567 11.709 0.247 1.00 0.00 WT1 O ATOM 19769 H1 TIP3 6714 66.372 11.194 0.212 1.00 0.00 WT1 H ATOM 19770 H2 TIP3 6714 64.980 11.200 0.807 1.00 0.00 WT1 H ATOM 19771 OH2 TIP3 6715 82.850 14.711 0.827 1.00 0.00 WT1 O ATOM 19772 H1 TIP3 6715 82.255 15.456 0.742 1.00 0.00 WT1 H ATOM 19773 H2 TIP3 6715 82.432 14.143 1.474 1.00 0.00 WT1 H ATOM 19774 OH2 TIP3 6716 75.255 89.929 58.814 1.00 0.00 WT1 O ATOM 19775 H1 TIP3 6716 74.675 89.254 58.460 1.00 0.00 WT1 H ATOM 19776 H2 TIP3 6716 75.322 90.579 58.114 1.00 0.00 WT1 H ATOM 19777 OH2 TIP3 6717 81.260 94.128 0.679 1.00 0.00 WT1 O ATOM 19778 H1 TIP3 6717 80.582 93.972 0.022 1.00 0.00 WT1 H ATOM 19779 H2 TIP3 6717 81.420 95.071 0.638 1.00 0.00 WT1 H ATOM 19780 OH2 TIP3 6718 34.070 71.008 -10.783 1.00 0.00 WT1 O ATOM 19781 H1 TIP3 6718 34.996 71.247 -10.748 1.00 0.00 WT1 H ATOM 19782 H2 TIP3 6718 34.034 70.130 -10.405 1.00 0.00 WT1 H ATOM 19783 OH2 TIP3 6719 22.913 50.655 -11.046 1.00 0.00 WT1 O ATOM 19784 H1 TIP3 6719 22.104 51.167 -11.059 1.00 0.00 WT1 H ATOM 19785 H2 TIP3 6719 22.670 49.834 -10.620 1.00 0.00 WT1 H ATOM 19786 OH2 TIP3 6720 22.377 41.994 -7.244 1.00 0.00 WT1 O ATOM 19787 H1 TIP3 6720 21.422 41.965 -7.307 1.00 0.00 WT1 H ATOM 19788 H2 TIP3 6720 22.550 42.568 -6.498 1.00 0.00 WT1 H ATOM 19789 OH2 TIP3 6721 88.733 32.361 -6.836 1.00 0.00 WT1 O ATOM 19790 H1 TIP3 6721 89.237 31.562 -6.988 1.00 0.00 WT1 H ATOM 19791 H2 TIP3 6721 88.836 32.537 -5.901 1.00 0.00 WT1 H ATOM 19792 OH2 TIP3 6722 24.406 23.612 57.113 1.00 0.00 WT1 O ATOM 19793 H1 TIP3 6722 24.243 23.250 57.984 1.00 0.00 WT1 H ATOM 19794 H2 TIP3 6722 25.221 23.198 56.829 1.00 0.00 WT1 H ATOM 19795 OH2 TIP3 6723 52.988 6.421 53.170 1.00 0.00 WT1 O ATOM 19796 H1 TIP3 6723 53.114 6.096 54.061 1.00 0.00 WT1 H ATOM 19797 H2 TIP3 6723 53.839 6.782 52.923 1.00 0.00 WT1 H ATOM 19798 OH2 TIP3 6724 31.263 49.169 -5.523 1.00 0.00 WT1 O ATOM 19799 H1 TIP3 6724 31.573 48.941 -4.647 1.00 0.00 WT1 H ATOM 19800 H2 TIP3 6724 30.391 49.538 -5.380 1.00 0.00 WT1 H ATOM 19801 OH2 TIP3 6725 65.801 43.290 60.979 1.00 0.00 WT1 O ATOM 19802 H1 TIP3 6725 65.788 42.880 60.114 1.00 0.00 WT1 H ATOM 19803 H2 TIP3 6725 65.746 42.557 61.593 1.00 0.00 WT1 H ATOM 19804 OH2 TIP3 6726 36.659 48.165 20.607 1.00 0.00 WT1 O ATOM 19805 H1 TIP3 6726 36.545 48.403 21.528 1.00 0.00 WT1 H ATOM 19806 H2 TIP3 6726 37.607 48.163 20.476 1.00 0.00 WT1 H ATOM 19807 OH2 TIP3 6727 67.800 22.550 15.600 1.00 0.00 WT1 O ATOM 19808 H1 TIP3 6727 67.239 22.233 14.893 1.00 0.00 WT1 H ATOM 19809 H2 TIP3 6727 67.296 22.387 16.398 1.00 0.00 WT1 H ATOM 19810 OH2 TIP3 6728 22.878 71.882 -12.297 1.00 0.00 WT1 O ATOM 19811 H1 TIP3 6728 23.446 72.625 -12.093 1.00 0.00 WT1 H ATOM 19812 H2 TIP3 6728 22.973 71.294 -11.547 1.00 0.00 WT1 H ATOM 19813 OH2 TIP3 6729 67.889 84.183 24.121 1.00 0.00 WT1 O ATOM 19814 H1 TIP3 6729 67.200 83.658 24.529 1.00 0.00 WT1 H ATOM 19815 H2 TIP3 6729 67.602 84.293 23.215 1.00 0.00 WT1 H ATOM 19816 OH2 TIP3 6730 67.923 55.652 23.236 1.00 0.00 WT1 O ATOM 19817 H1 TIP3 6730 67.261 55.356 22.612 1.00 0.00 WT1 H ATOM 19818 H2 TIP3 6730 67.567 55.417 24.093 1.00 0.00 WT1 H ATOM 19819 OH2 TIP3 6731 53.769 78.863 4.176 1.00 0.00 WT1 O ATOM 19820 H1 TIP3 6731 53.947 78.631 5.088 1.00 0.00 WT1 H ATOM 19821 H2 TIP3 6731 54.618 78.791 3.740 1.00 0.00 WT1 H ATOM 19822 OH2 TIP3 6732 84.042 16.203 -2.347 1.00 0.00 WT1 O ATOM 19823 H1 TIP3 6732 83.122 16.456 -2.261 1.00 0.00 WT1 H ATOM 19824 H2 TIP3 6732 84.422 16.386 -1.487 1.00 0.00 WT1 H ATOM 19825 OH2 TIP3 6733 80.938 30.548 33.550 1.00 0.00 WT1 O ATOM 19826 H1 TIP3 6733 80.433 31.166 34.079 1.00 0.00 WT1 H ATOM 19827 H2 TIP3 6733 81.822 30.915 33.531 1.00 0.00 WT1 H ATOM 19828 OH2 TIP3 6734 23.295 5.494 46.350 1.00 0.00 WT1 O ATOM 19829 H1 TIP3 6734 23.382 5.861 47.230 1.00 0.00 WT1 H ATOM 19830 H2 TIP3 6734 23.632 4.602 46.428 1.00 0.00 WT1 H ATOM 19831 OH2 TIP3 6735 33.083 25.370 23.951 1.00 0.00 WT1 O ATOM 19832 H1 TIP3 6735 32.995 25.898 23.157 1.00 0.00 WT1 H ATOM 19833 H2 TIP3 6735 33.259 26.007 24.644 1.00 0.00 WT1 H ATOM 19834 OH2 TIP3 6736 28.855 70.448 32.017 1.00 0.00 WT1 O ATOM 19835 H1 TIP3 6736 29.110 70.942 32.797 1.00 0.00 WT1 H ATOM 19836 H2 TIP3 6736 29.676 70.086 31.683 1.00 0.00 WT1 H ATOM 19837 OH2 TIP3 6737 85.203 13.925 42.638 1.00 0.00 WT1 O ATOM 19838 H1 TIP3 6737 84.753 14.523 43.235 1.00 0.00 WT1 H ATOM 19839 H2 TIP3 6737 86.115 14.216 42.648 1.00 0.00 WT1 H ATOM 19840 OH2 TIP3 6738 38.200 88.248 54.246 1.00 0.00 WT1 O ATOM 19841 H1 TIP3 6738 38.279 89.142 54.579 1.00 0.00 WT1 H ATOM 19842 H2 TIP3 6738 38.977 87.798 54.578 1.00 0.00 WT1 H ATOM 19843 OH2 TIP3 6739 53.266 7.357 48.235 1.00 0.00 WT1 O ATOM 19844 H1 TIP3 6739 52.794 7.178 49.048 1.00 0.00 WT1 H ATOM 19845 H2 TIP3 6739 53.826 8.106 48.441 1.00 0.00 WT1 H ATOM 19846 OH2 TIP3 6740 27.837 25.529 26.402 1.00 0.00 WT1 O ATOM 19847 H1 TIP3 6740 27.816 26.476 26.260 1.00 0.00 WT1 H ATOM 19848 H2 TIP3 6740 28.711 25.359 26.753 1.00 0.00 WT1 H ATOM 19849 OH2 TIP3 6741 63.974 2.684 38.514 1.00 0.00 WT1 O ATOM 19850 H1 TIP3 6741 64.036 2.973 39.425 1.00 0.00 WT1 H ATOM 19851 H2 TIP3 6741 64.470 3.337 38.021 1.00 0.00 WT1 H ATOM 19852 OH2 TIP3 6742 60.436 2.640 59.402 1.00 0.00 WT1 O ATOM 19853 H1 TIP3 6742 59.814 1.932 59.238 1.00 0.00 WT1 H ATOM 19854 H2 TIP3 6742 61.059 2.270 60.028 1.00 0.00 WT1 H ATOM 19855 OH2 TIP3 6743 72.919 85.438 39.952 1.00 0.00 WT1 O ATOM 19856 H1 TIP3 6743 73.138 85.039 40.794 1.00 0.00 WT1 H ATOM 19857 H2 TIP3 6743 73.616 85.151 39.362 1.00 0.00 WT1 H ATOM 19858 OH2 TIP3 6744 40.006 66.163 -15.940 1.00 0.00 WT1 O ATOM 19859 H1 TIP3 6744 39.807 65.870 -15.051 1.00 0.00 WT1 H ATOM 19860 H2 TIP3 6744 39.656 65.473 -16.504 1.00 0.00 WT1 H ATOM 19861 OH2 TIP3 6745 46.406 94.967 63.484 1.00 0.00 WT1 O ATOM 19862 H1 TIP3 6745 46.681 94.462 64.249 1.00 0.00 WT1 H ATOM 19863 H2 TIP3 6745 45.842 94.370 62.992 1.00 0.00 WT1 H ATOM 19864 OH2 TIP3 6746 52.633 40.323 -0.426 1.00 0.00 WT1 O ATOM 19865 H1 TIP3 6746 52.380 41.178 -0.079 1.00 0.00 WT1 H ATOM 19866 H2 TIP3 6746 51.805 39.906 -0.665 1.00 0.00 WT1 H ATOM 19867 OH2 TIP3 6747 33.503 94.502 12.617 1.00 0.00 WT1 O ATOM 19868 H1 TIP3 6747 34.204 94.291 12.001 1.00 0.00 WT1 H ATOM 19869 H2 TIP3 6747 33.410 95.453 12.559 1.00 0.00 WT1 H ATOM 19870 OH2 TIP3 6748 54.242 7.724 55.838 1.00 0.00 WT1 O ATOM 19871 H1 TIP3 6748 54.646 7.560 54.986 1.00 0.00 WT1 H ATOM 19872 H2 TIP3 6748 54.438 6.941 56.352 1.00 0.00 WT1 H ATOM 19873 OH2 TIP3 6749 90.329 54.329 -9.299 1.00 0.00 WT1 O ATOM 19874 H1 TIP3 6749 89.873 53.861 -8.599 1.00 0.00 WT1 H ATOM 19875 H2 TIP3 6749 90.389 55.231 -8.985 1.00 0.00 WT1 H ATOM 19876 OH2 TIP3 6750 31.434 0.813 -18.535 1.00 0.00 WT1 O ATOM 19877 H1 TIP3 6750 32.101 1.075 -17.901 1.00 0.00 WT1 H ATOM 19878 H2 TIP3 6750 31.503 -0.141 -18.575 1.00 0.00 WT1 H ATOM 19879 OH2 TIP3 6751 66.971 73.621 3.427 1.00 0.00 WT1 O ATOM 19880 H1 TIP3 6751 67.613 73.028 3.818 1.00 0.00 WT1 H ATOM 19881 H2 TIP3 6751 66.760 74.240 4.126 1.00 0.00 WT1 H ATOM 19882 OH2 TIP3 6752 76.800 48.251 21.506 1.00 0.00 WT1 O ATOM 19883 H1 TIP3 6752 76.076 48.804 21.801 1.00 0.00 WT1 H ATOM 19884 H2 TIP3 6752 76.473 47.832 20.711 1.00 0.00 WT1 H ATOM 19885 OH2 TIP3 6753 53.789 96.012 20.953 1.00 0.00 WT1 O ATOM 19886 H1 TIP3 6753 54.461 95.587 21.486 1.00 0.00 WT1 H ATOM 19887 H2 TIP3 6753 52.992 95.512 21.127 1.00 0.00 WT1 H ATOM 19888 OH2 TIP3 6754 63.602 38.827 38.285 1.00 0.00 WT1 O ATOM 19889 H1 TIP3 6754 63.375 38.368 37.476 1.00 0.00 WT1 H ATOM 19890 H2 TIP3 6754 64.500 39.128 38.145 1.00 0.00 WT1 H ATOM 19891 OH2 TIP3 6755 34.267 18.609 66.755 1.00 0.00 WT1 O ATOM 19892 H1 TIP3 6755 35.094 18.349 67.160 1.00 0.00 WT1 H ATOM 19893 H2 TIP3 6755 33.766 17.796 66.687 1.00 0.00 WT1 H ATOM 19894 OH2 TIP3 6756 34.410 64.177 22.524 1.00 0.00 WT1 O ATOM 19895 H1 TIP3 6756 34.764 64.703 21.807 1.00 0.00 WT1 H ATOM 19896 H2 TIP3 6756 35.173 63.946 23.052 1.00 0.00 WT1 H ATOM 19897 OH2 TIP3 6757 77.685 50.933 -1.687 1.00 0.00 WT1 O ATOM 19898 H1 TIP3 6757 77.102 50.255 -1.346 1.00 0.00 WT1 H ATOM 19899 H2 TIP3 6757 77.212 51.752 -1.540 1.00 0.00 WT1 H ATOM 19900 OH2 TIP3 6758 24.223 18.781 12.371 1.00 0.00 WT1 O ATOM 19901 H1 TIP3 6758 24.351 18.339 11.532 1.00 0.00 WT1 H ATOM 19902 H2 TIP3 6758 23.340 18.532 12.641 1.00 0.00 WT1 H ATOM 19903 OH2 TIP3 6759 85.481 60.154 37.641 1.00 0.00 WT1 O ATOM 19904 H1 TIP3 6759 85.853 59.662 38.373 1.00 0.00 WT1 H ATOM 19905 H2 TIP3 6759 85.274 59.488 36.985 1.00 0.00 WT1 H ATOM 19906 OH2 TIP3 6760 56.213 43.699 -4.948 1.00 0.00 WT1 O ATOM 19907 H1 TIP3 6760 55.450 44.102 -4.533 1.00 0.00 WT1 H ATOM 19908 H2 TIP3 6760 56.893 44.372 -4.905 1.00 0.00 WT1 H ATOM 19909 OH2 TIP3 6761 28.603 8.869 -17.425 1.00 0.00 WT1 O ATOM 19910 H1 TIP3 6761 28.292 8.372 -16.668 1.00 0.00 WT1 H ATOM 19911 H2 TIP3 6761 27.922 9.524 -17.578 1.00 0.00 WT1 H ATOM 19912 OH2 TIP3 6762 35.076 84.896 50.421 1.00 0.00 WT1 O ATOM 19913 H1 TIP3 6762 35.771 84.245 50.325 1.00 0.00 WT1 H ATOM 19914 H2 TIP3 6762 35.508 85.734 50.250 1.00 0.00 WT1 H ATOM 19915 OH2 TIP3 6763 82.083 90.164 5.298 1.00 0.00 WT1 O ATOM 19916 H1 TIP3 6763 81.197 89.820 5.186 1.00 0.00 WT1 H ATOM 19917 H2 TIP3 6763 82.346 90.440 4.419 1.00 0.00 WT1 H ATOM 19918 OH2 TIP3 6764 78.323 67.837 65.023 1.00 0.00 WT1 O ATOM 19919 H1 TIP3 6764 77.485 68.256 65.217 1.00 0.00 WT1 H ATOM 19920 H2 TIP3 6764 78.087 66.975 64.679 1.00 0.00 WT1 H ATOM 19921 OH2 TIP3 6765 70.670 35.675 14.416 1.00 0.00 WT1 O ATOM 19922 H1 TIP3 6765 70.274 34.839 14.170 1.00 0.00 WT1 H ATOM 19923 H2 TIP3 6765 69.991 36.325 14.236 1.00 0.00 WT1 H ATOM 19924 OH2 TIP3 6766 88.310 56.559 -14.494 1.00 0.00 WT1 O ATOM 19925 H1 TIP3 6766 88.550 55.798 -15.023 1.00 0.00 WT1 H ATOM 19926 H2 TIP3 6766 87.943 57.181 -15.123 1.00 0.00 WT1 H ATOM 19927 OH2 TIP3 6767 81.239 60.320 57.602 1.00 0.00 WT1 O ATOM 19928 H1 TIP3 6767 80.613 61.031 57.469 1.00 0.00 WT1 H ATOM 19929 H2 TIP3 6767 81.400 59.975 56.723 1.00 0.00 WT1 H ATOM 19930 OH2 TIP3 6768 58.278 14.308 5.983 1.00 0.00 WT1 O ATOM 19931 H1 TIP3 6768 57.542 14.056 6.541 1.00 0.00 WT1 H ATOM 19932 H2 TIP3 6768 59.023 14.368 6.581 1.00 0.00 WT1 H ATOM 19933 OH2 TIP3 6769 62.013 10.371 -18.795 1.00 0.00 WT1 O ATOM 19934 H1 TIP3 6769 61.099 10.533 -18.561 1.00 0.00 WT1 H ATOM 19935 H2 TIP3 6769 62.457 11.199 -18.615 1.00 0.00 WT1 H ATOM 19936 OH2 TIP3 6770 59.317 22.564 -19.296 1.00 0.00 WT1 O ATOM 19937 H1 TIP3 6770 59.740 22.591 -18.437 1.00 0.00 WT1 H ATOM 19938 H2 TIP3 6770 58.634 21.900 -19.205 1.00 0.00 WT1 H ATOM 19939 OH2 TIP3 6771 64.656 82.414 17.370 1.00 0.00 WT1 O ATOM 19940 H1 TIP3 6771 63.812 81.975 17.470 1.00 0.00 WT1 H ATOM 19941 H2 TIP3 6771 64.996 82.095 16.535 1.00 0.00 WT1 H ATOM 19942 OH2 TIP3 6772 80.892 25.003 -14.605 1.00 0.00 WT1 O ATOM 19943 H1 TIP3 6772 81.313 24.144 -14.647 1.00 0.00 WT1 H ATOM 19944 H2 TIP3 6772 80.956 25.345 -15.496 1.00 0.00 WT1 H ATOM 19945 OH2 TIP3 6773 89.580 82.439 3.342 1.00 0.00 WT1 O ATOM 19946 H1 TIP3 6773 89.019 82.299 2.579 1.00 0.00 WT1 H ATOM 19947 H2 TIP3 6773 88.973 82.647 4.052 1.00 0.00 WT1 H ATOM 19948 OH2 TIP3 6775 58.809 7.150 28.437 1.00 0.00 WT1 O ATOM 19949 H1 TIP3 6775 57.946 7.531 28.598 1.00 0.00 WT1 H ATOM 19950 H2 TIP3 6775 59.083 7.521 27.599 1.00 0.00 WT1 H ATOM 19951 OH2 TIP3 6776 71.737 27.702 66.082 1.00 0.00 WT1 O ATOM 19952 H1 TIP3 6776 71.961 28.108 65.244 1.00 0.00 WT1 H ATOM 19953 H2 TIP3 6776 70.941 28.154 66.363 1.00 0.00 WT1 H ATOM 19954 OH2 TIP3 6777 62.151 1.684 -0.971 1.00 0.00 WT1 O ATOM 19955 H1 TIP3 6777 63.080 1.454 -1.008 1.00 0.00 WT1 H ATOM 19956 H2 TIP3 6777 61.803 1.159 -0.250 1.00 0.00 WT1 H ATOM 19957 OH2 TIP3 6778 74.286 90.280 34.292 1.00 0.00 WT1 O ATOM 19958 H1 TIP3 6778 73.911 89.564 33.779 1.00 0.00 WT1 H ATOM 19959 H2 TIP3 6778 73.607 90.955 34.295 1.00 0.00 WT1 H ATOM 19960 OH2 TIP3 6779 29.494 94.597 -13.614 1.00 0.00 WT1 O ATOM 19961 H1 TIP3 6779 30.165 93.993 -13.932 1.00 0.00 WT1 H ATOM 19962 H2 TIP3 6779 29.785 94.838 -12.735 1.00 0.00 WT1 H ATOM 19963 OH2 TIP3 6780 30.332 3.352 -4.120 1.00 0.00 WT1 O ATOM 19964 H1 TIP3 6780 31.082 3.405 -3.527 1.00 0.00 WT1 H ATOM 19965 H2 TIP3 6780 30.355 2.457 -4.457 1.00 0.00 WT1 H ATOM 19966 OH2 TIP3 6781 75.750 32.630 39.500 1.00 0.00 WT1 O ATOM 19967 H1 TIP3 6781 76.556 32.175 39.746 1.00 0.00 WT1 H ATOM 19968 H2 TIP3 6781 75.855 33.512 39.858 1.00 0.00 WT1 H ATOM 19969 OH2 TIP3 6782 84.993 11.584 38.986 1.00 0.00 WT1 O ATOM 19970 H1 TIP3 6782 84.730 12.038 38.185 1.00 0.00 WT1 H ATOM 19971 H2 TIP3 6782 85.736 12.091 39.315 1.00 0.00 WT1 H ATOM 19972 OH2 TIP3 6783 51.506 89.323 14.103 1.00 0.00 WT1 O ATOM 19973 H1 TIP3 6783 52.229 88.943 13.604 1.00 0.00 WT1 H ATOM 19974 H2 TIP3 6783 50.733 89.169 13.561 1.00 0.00 WT1 H ATOM 19975 OH2 TIP3 6784 76.628 17.664 -2.410 1.00 0.00 WT1 O ATOM 19976 H1 TIP3 6784 76.022 17.396 -1.719 1.00 0.00 WT1 H ATOM 19977 H2 TIP3 6784 77.389 18.009 -1.941 1.00 0.00 WT1 H ATOM 19978 OH2 TIP3 6785 23.828 31.104 44.916 1.00 0.00 WT1 O ATOM 19979 H1 TIP3 6785 24.186 31.844 45.406 1.00 0.00 WT1 H ATOM 19980 H2 TIP3 6785 24.588 30.712 44.484 1.00 0.00 WT1 H ATOM 19981 OH2 TIP3 6786 76.661 47.841 25.637 1.00 0.00 WT1 O ATOM 19982 H1 TIP3 6786 75.923 48.450 25.648 1.00 0.00 WT1 H ATOM 19983 H2 TIP3 6786 76.981 47.834 26.539 1.00 0.00 WT1 H ATOM 19984 OH2 TIP3 6787 67.158 78.060 53.561 1.00 0.00 WT1 O ATOM 19985 H1 TIP3 6787 66.384 77.499 53.600 1.00 0.00 WT1 H ATOM 19986 H2 TIP3 6787 67.016 78.714 54.244 1.00 0.00 WT1 H ATOM 19987 OH2 TIP3 6788 20.484 28.826 59.760 1.00 0.00 WT1 O ATOM 19988 H1 TIP3 6788 20.726 29.542 60.347 1.00 0.00 WT1 H ATOM 19989 H2 TIP3 6788 20.850 28.044 60.172 1.00 0.00 WT1 H ATOM 19990 OH2 TIP3 6789 79.744 37.684 19.751 1.00 0.00 WT1 O ATOM 19991 H1 TIP3 6789 78.969 37.256 19.387 1.00 0.00 WT1 H ATOM 19992 H2 TIP3 6789 79.492 38.604 19.835 1.00 0.00 WT1 H ATOM 19993 OH2 TIP3 6790 76.895 65.608 -9.756 1.00 0.00 WT1 O ATOM 19994 H1 TIP3 6790 77.011 66.516 -10.035 1.00 0.00 WT1 H ATOM 19995 H2 TIP3 6790 76.121 65.308 -10.232 1.00 0.00 WT1 H ATOM 19996 OH2 TIP3 6791 78.597 10.465 65.580 1.00 0.00 WT1 O ATOM 19997 H1 TIP3 6791 77.937 10.161 64.957 1.00 0.00 WT1 H ATOM 19998 H2 TIP3 6791 79.280 9.795 65.552 1.00 0.00 WT1 H ATOM 19999 OH2 TIP3 6792 30.136 36.808 -8.367 1.00 0.00 WT1 O ATOM 20000 H1 TIP3 6792 30.501 37.429 -8.997 1.00 0.00 WT1 H ATOM 20001 H2 TIP3 6792 30.300 37.207 -7.513 1.00 0.00 WT1 H ATOM 20002 OH2 TIP3 6793 69.060 45.566 -12.144 1.00 0.00 WT1 O ATOM 20003 H1 TIP3 6793 69.807 45.333 -12.695 1.00 0.00 WT1 H ATOM 20004 H2 TIP3 6793 69.031 44.881 -11.477 1.00 0.00 WT1 H ATOM 20005 OH2 TIP3 6794 31.267 29.675 66.023 1.00 0.00 WT1 O ATOM 20006 H1 TIP3 6794 32.095 29.712 66.502 1.00 0.00 WT1 H ATOM 20007 H2 TIP3 6794 31.333 30.376 65.374 1.00 0.00 WT1 H ATOM 20008 OH2 TIP3 6795 33.678 42.749 14.379 1.00 0.00 WT1 O ATOM 20009 H1 TIP3 6795 34.598 42.764 14.116 1.00 0.00 WT1 H ATOM 20010 H2 TIP3 6795 33.700 42.798 15.335 1.00 0.00 WT1 H ATOM 20011 OH2 TIP3 6798 89.044 34.505 25.824 1.00 0.00 WT1 O ATOM 20012 H1 TIP3 6798 88.319 35.038 26.149 1.00 0.00 WT1 H ATOM 20013 H2 TIP3 6798 89.526 34.250 26.611 1.00 0.00 WT1 H ATOM 20014 OH2 TIP3 6799 49.726 47.159 -16.212 1.00 0.00 WT1 O ATOM 20015 H1 TIP3 6799 50.209 47.914 -16.549 1.00 0.00 WT1 H ATOM 20016 H2 TIP3 6799 49.430 47.431 -15.344 1.00 0.00 WT1 H ATOM 20017 OH2 TIP3 6800 65.363 18.021 43.493 1.00 0.00 WT1 O ATOM 20018 H1 TIP3 6800 65.638 18.878 43.166 1.00 0.00 WT1 H ATOM 20019 H2 TIP3 6800 65.353 17.460 42.717 1.00 0.00 WT1 H ATOM 20020 OH2 TIP3 6801 24.930 70.823 -18.641 1.00 0.00 WT1 O ATOM 20021 H1 TIP3 6801 24.145 71.109 -19.108 1.00 0.00 WT1 H ATOM 20022 H2 TIP3 6801 24.735 70.993 -17.719 1.00 0.00 WT1 H ATOM 20023 OH2 TIP3 6802 53.788 31.250 11.390 1.00 0.00 WT1 O ATOM 20024 H1 TIP3 6802 53.526 30.330 11.349 1.00 0.00 WT1 H ATOM 20025 H2 TIP3 6802 53.207 31.636 12.046 1.00 0.00 WT1 H ATOM 20026 OH2 TIP3 6803 81.412 8.313 -19.234 1.00 0.00 WT1 O ATOM 20027 H1 TIP3 6803 81.758 8.146 -20.111 1.00 0.00 WT1 H ATOM 20028 H2 TIP3 6803 82.158 8.171 -18.651 1.00 0.00 WT1 H ATOM 20029 OH2 TIP3 6804 84.885 23.984 -5.425 1.00 0.00 WT1 O ATOM 20030 H1 TIP3 6804 84.165 24.415 -5.885 1.00 0.00 WT1 H ATOM 20031 H2 TIP3 6804 84.688 23.049 -5.493 1.00 0.00 WT1 H ATOM 20032 OH2 TIP3 6805 75.493 29.817 36.409 1.00 0.00 WT1 O ATOM 20033 H1 TIP3 6805 74.821 29.826 35.728 1.00 0.00 WT1 H ATOM 20034 H2 TIP3 6805 75.061 30.189 37.178 1.00 0.00 WT1 H ATOM 20035 OH2 TIP3 6806 67.928 37.725 17.945 1.00 0.00 WT1 O ATOM 20036 H1 TIP3 6806 68.514 38.463 17.775 1.00 0.00 WT1 H ATOM 20037 H2 TIP3 6806 67.725 37.376 17.078 1.00 0.00 WT1 H ATOM 20038 OH2 TIP3 6807 80.913 44.062 0.446 1.00 0.00 WT1 O ATOM 20039 H1 TIP3 6807 81.063 43.292 0.994 1.00 0.00 WT1 H ATOM 20040 H2 TIP3 6807 81.403 44.762 0.877 1.00 0.00 WT1 H ATOM 20041 OH2 TIP3 6808 75.956 15.999 -18.239 1.00 0.00 WT1 O ATOM 20042 H1 TIP3 6808 75.343 16.204 -18.945 1.00 0.00 WT1 H ATOM 20043 H2 TIP3 6808 75.666 15.149 -17.909 1.00 0.00 WT1 H ATOM 20044 OH2 TIP3 6809 87.099 86.808 3.481 1.00 0.00 WT1 O ATOM 20045 H1 TIP3 6809 86.797 85.998 3.071 1.00 0.00 WT1 H ATOM 20046 H2 TIP3 6809 87.619 86.519 4.231 1.00 0.00 WT1 H ATOM 20047 OH2 TIP3 6810 62.312 23.756 33.128 1.00 0.00 WT1 O ATOM 20048 H1 TIP3 6810 62.704 23.900 32.266 1.00 0.00 WT1 H ATOM 20049 H2 TIP3 6810 62.066 22.831 33.128 1.00 0.00 WT1 H ATOM 20050 OH2 TIP3 6811 54.111 58.083 66.005 1.00 0.00 WT1 O ATOM 20051 H1 TIP3 6811 54.076 57.198 66.368 1.00 0.00 WT1 H ATOM 20052 H2 TIP3 6811 53.365 58.534 66.400 1.00 0.00 WT1 H ATOM 20053 OH2 TIP3 6812 77.656 26.525 -4.900 1.00 0.00 WT1 O ATOM 20054 H1 TIP3 6812 77.399 26.897 -5.744 1.00 0.00 WT1 H ATOM 20055 H2 TIP3 6812 78.137 27.229 -4.464 1.00 0.00 WT1 H ATOM 20056 OH2 TIP3 6813 24.965 46.354 66.273 1.00 0.00 WT1 O ATOM 20057 H1 TIP3 6813 25.201 46.268 67.197 1.00 0.00 WT1 H ATOM 20058 H2 TIP3 6813 25.798 46.499 65.825 1.00 0.00 WT1 H ATOM 20059 OH2 TIP3 6814 58.556 44.877 49.188 1.00 0.00 WT1 O ATOM 20060 H1 TIP3 6814 58.508 44.181 48.532 1.00 0.00 WT1 H ATOM 20061 H2 TIP3 6814 58.579 45.686 48.677 1.00 0.00 WT1 H ATOM 20062 OH2 TIP3 6817 59.356 89.046 19.344 1.00 0.00 WT1 O ATOM 20063 H1 TIP3 6817 60.091 88.670 19.830 1.00 0.00 WT1 H ATOM 20064 H2 TIP3 6817 59.615 88.975 18.425 1.00 0.00 WT1 H ATOM 20065 OH2 TIP3 6818 34.587 53.185 -18.968 1.00 0.00 WT1 O ATOM 20066 H1 TIP3 6818 34.651 53.222 -19.923 1.00 0.00 WT1 H ATOM 20067 H2 TIP3 6818 34.300 52.291 -18.782 1.00 0.00 WT1 H ATOM 20068 OH2 TIP3 6819 54.854 7.736 39.707 1.00 0.00 WT1 O ATOM 20069 H1 TIP3 6819 54.946 7.250 38.887 1.00 0.00 WT1 H ATOM 20070 H2 TIP3 6819 54.791 8.652 39.437 1.00 0.00 WT1 H ATOM 20071 OH2 TIP3 6820 54.778 15.517 45.917 1.00 0.00 WT1 O ATOM 20072 H1 TIP3 6820 55.273 14.845 46.386 1.00 0.00 WT1 H ATOM 20073 H2 TIP3 6820 55.437 16.154 45.643 1.00 0.00 WT1 H ATOM 20074 OH2 TIP3 6822 40.975 56.777 11.624 1.00 0.00 WT1 O ATOM 20075 H1 TIP3 6822 41.445 57.429 12.143 1.00 0.00 WT1 H ATOM 20076 H2 TIP3 6822 41.601 56.507 10.952 1.00 0.00 WT1 H ATOM 20077 OH2 TIP3 6823 33.073 40.464 -14.679 1.00 0.00 WT1 O ATOM 20078 H1 TIP3 6823 33.756 39.795 -14.737 1.00 0.00 WT1 H ATOM 20079 H2 TIP3 6823 33.395 41.078 -14.020 1.00 0.00 WT1 H ATOM 20080 OH2 TIP3 6824 54.482 20.935 65.402 1.00 0.00 WT1 O ATOM 20081 H1 TIP3 6824 55.347 20.672 65.087 1.00 0.00 WT1 H ATOM 20082 H2 TIP3 6824 54.488 21.891 65.349 1.00 0.00 WT1 H ATOM 20083 OH2 TIP3 6825 50.474 2.053 41.129 1.00 0.00 WT1 O ATOM 20084 H1 TIP3 6825 50.272 2.353 40.243 1.00 0.00 WT1 H ATOM 20085 H2 TIP3 6825 50.910 2.799 41.541 1.00 0.00 WT1 H ATOM 20086 OH2 TIP3 6826 34.413 18.509 42.590 1.00 0.00 WT1 O ATOM 20087 H1 TIP3 6826 34.518 17.830 41.924 1.00 0.00 WT1 H ATOM 20088 H2 TIP3 6826 35.045 19.186 42.345 1.00 0.00 WT1 H ATOM 20089 OH2 TIP3 6827 77.894 82.541 43.756 1.00 0.00 WT1 O ATOM 20090 H1 TIP3 6827 78.302 81.789 43.326 1.00 0.00 WT1 H ATOM 20091 H2 TIP3 6827 78.628 83.108 43.994 1.00 0.00 WT1 H ATOM 20092 OH2 TIP3 6828 79.526 44.773 6.839 1.00 0.00 WT1 O ATOM 20093 H1 TIP3 6828 78.625 45.095 6.858 1.00 0.00 WT1 H ATOM 20094 H2 TIP3 6828 79.565 44.128 7.545 1.00 0.00 WT1 H ATOM 20095 OH2 TIP3 6829 78.860 75.646 -10.773 1.00 0.00 WT1 O ATOM 20096 H1 TIP3 6829 78.982 75.689 -9.825 1.00 0.00 WT1 H ATOM 20097 H2 TIP3 6829 79.063 74.738 -11.000 1.00 0.00 WT1 H ATOM 20098 OH2 TIP3 6831 63.305 8.878 15.408 1.00 0.00 WT1 O ATOM 20099 H1 TIP3 6831 63.639 9.114 16.274 1.00 0.00 WT1 H ATOM 20100 H2 TIP3 6831 63.600 7.977 15.275 1.00 0.00 WT1 H ATOM 20101 OH2 TIP3 6832 71.476 29.498 53.755 1.00 0.00 WT1 O ATOM 20102 H1 TIP3 6832 71.204 29.506 54.673 1.00 0.00 WT1 H ATOM 20103 H2 TIP3 6832 71.635 30.418 53.544 1.00 0.00 WT1 H ATOM 20104 OH2 TIP3 6833 71.052 54.687 11.119 1.00 0.00 WT1 O ATOM 20105 H1 TIP3 6833 70.225 54.407 11.510 1.00 0.00 WT1 H ATOM 20106 H2 TIP3 6833 71.357 55.396 11.685 1.00 0.00 WT1 H ATOM 20107 OH2 TIP3 6834 38.428 31.547 -6.072 1.00 0.00 WT1 O ATOM 20108 H1 TIP3 6834 38.559 31.925 -5.203 1.00 0.00 WT1 H ATOM 20109 H2 TIP3 6834 37.489 31.371 -6.120 1.00 0.00 WT1 H ATOM 20110 OH2 TIP3 6836 48.164 20.985 -3.024 1.00 0.00 WT1 O ATOM 20111 H1 TIP3 6836 48.078 20.203 -3.568 1.00 0.00 WT1 H ATOM 20112 H2 TIP3 6836 48.129 20.658 -2.125 1.00 0.00 WT1 H ATOM 20113 OH2 TIP3 6837 45.278 13.217 44.166 1.00 0.00 WT1 O ATOM 20114 H1 TIP3 6837 44.898 12.761 43.415 1.00 0.00 WT1 H ATOM 20115 H2 TIP3 6837 46.131 12.802 44.292 1.00 0.00 WT1 H ATOM 20116 OH2 TIP3 6838 76.125 49.509 1.091 1.00 0.00 WT1 O ATOM 20117 H1 TIP3 6838 75.260 49.548 1.499 1.00 0.00 WT1 H ATOM 20118 H2 TIP3 6838 76.686 50.025 1.669 1.00 0.00 WT1 H ATOM 20119 OH2 TIP3 6839 46.559 26.172 54.112 1.00 0.00 WT1 O ATOM 20120 H1 TIP3 6839 45.822 26.467 54.647 1.00 0.00 WT1 H ATOM 20121 H2 TIP3 6839 46.370 25.252 53.929 1.00 0.00 WT1 H ATOM 20122 OH2 TIP3 6840 85.088 68.727 -16.577 1.00 0.00 WT1 O ATOM 20123 H1 TIP3 6840 84.569 69.523 -16.698 1.00 0.00 WT1 H ATOM 20124 H2 TIP3 6840 85.850 69.012 -16.071 1.00 0.00 WT1 H ATOM 20125 OH2 TIP3 6841 60.470 46.406 63.902 1.00 0.00 WT1 O ATOM 20126 H1 TIP3 6841 59.997 46.284 64.725 1.00 0.00 WT1 H ATOM 20127 H2 TIP3 6841 60.767 47.316 63.928 1.00 0.00 WT1 H ATOM 20128 OH2 TIP3 6842 51.391 18.952 24.424 1.00 0.00 WT1 O ATOM 20129 H1 TIP3 6842 51.405 19.071 25.374 1.00 0.00 WT1 H ATOM 20130 H2 TIP3 6842 51.265 19.834 24.074 1.00 0.00 WT1 H ATOM 20131 OH2 TIP3 6843 84.944 10.564 4.260 1.00 0.00 WT1 O ATOM 20132 H1 TIP3 6843 84.102 10.152 4.065 1.00 0.00 WT1 H ATOM 20133 H2 TIP3 6843 85.090 11.167 3.531 1.00 0.00 WT1 H ATOM 20134 OH2 TIP3 6844 25.450 95.142 37.405 1.00 0.00 WT1 O ATOM 20135 H1 TIP3 6844 25.106 96.008 37.189 1.00 0.00 WT1 H ATOM 20136 H2 TIP3 6844 25.050 94.557 36.761 1.00 0.00 WT1 H ATOM 20137 OH2 TIP3 6845 89.535 35.105 23.359 1.00 0.00 WT1 O ATOM 20138 H1 TIP3 6845 89.984 34.284 23.154 1.00 0.00 WT1 H ATOM 20139 H2 TIP3 6845 89.266 35.009 24.273 1.00 0.00 WT1 H ATOM 20140 OH2 TIP3 6846 41.339 68.714 10.011 1.00 0.00 WT1 O ATOM 20141 H1 TIP3 6846 41.583 69.316 10.715 1.00 0.00 WT1 H ATOM 20142 H2 TIP3 6846 41.588 67.849 10.338 1.00 0.00 WT1 H ATOM 20143 OH2 TIP3 6847 20.963 9.166 46.719 1.00 0.00 WT1 O ATOM 20144 H1 TIP3 6847 20.149 8.669 46.802 1.00 0.00 WT1 H ATOM 20145 H2 TIP3 6847 21.290 8.947 45.846 1.00 0.00 WT1 H ATOM 20146 OH2 TIP3 6848 66.869 33.746 12.744 1.00 0.00 WT1 O ATOM 20147 H1 TIP3 6848 66.761 34.359 12.017 1.00 0.00 WT1 H ATOM 20148 H2 TIP3 6848 66.000 33.367 12.870 1.00 0.00 WT1 H ATOM 20149 OH2 TIP3 6849 55.214 51.921 56.597 1.00 0.00 WT1 O ATOM 20150 H1 TIP3 6849 54.844 51.533 55.805 1.00 0.00 WT1 H ATOM 20151 H2 TIP3 6849 54.726 52.736 56.716 1.00 0.00 WT1 H ATOM 20152 OH2 TIP3 6850 52.756 59.250 -18.979 1.00 0.00 WT1 O ATOM 20153 H1 TIP3 6850 52.079 59.647 -19.527 1.00 0.00 WT1 H ATOM 20154 H2 TIP3 6850 52.270 58.776 -18.304 1.00 0.00 WT1 H ATOM 20155 OH2 TIP3 6851 89.210 34.849 59.691 1.00 0.00 WT1 O ATOM 20156 H1 TIP3 6851 89.814 34.375 59.119 1.00 0.00 WT1 H ATOM 20157 H2 TIP3 6851 89.084 34.267 60.441 1.00 0.00 WT1 H ATOM 20158 OH2 TIP3 6852 36.011 51.846 4.970 1.00 0.00 WT1 O ATOM 20159 H1 TIP3 6852 36.088 52.611 5.540 1.00 0.00 WT1 H ATOM 20160 H2 TIP3 6852 36.822 51.842 4.462 1.00 0.00 WT1 H ATOM 20161 OH2 TIP3 6853 74.358 96.048 13.568 1.00 0.00 WT1 O ATOM 20162 H1 TIP3 6853 74.791 95.398 14.121 1.00 0.00 WT1 H ATOM 20163 H2 TIP3 6853 74.606 95.807 12.675 1.00 0.00 WT1 H ATOM 20164 OH2 TIP3 6854 66.478 22.386 17.849 1.00 0.00 WT1 O ATOM 20165 H1 TIP3 6854 65.651 22.093 17.468 1.00 0.00 WT1 H ATOM 20166 H2 TIP3 6854 66.220 22.933 18.590 1.00 0.00 WT1 H ATOM 20167 OH2 TIP3 6855 51.521 59.654 8.969 1.00 0.00 WT1 O ATOM 20168 H1 TIP3 6855 52.070 60.436 8.904 1.00 0.00 WT1 H ATOM 20169 H2 TIP3 6855 51.679 59.323 9.853 1.00 0.00 WT1 H ATOM 20170 OH2 TIP3 6857 23.959 51.579 35.710 1.00 0.00 WT1 O ATOM 20171 H1 TIP3 6857 24.625 52.126 35.294 1.00 0.00 WT1 H ATOM 20172 H2 TIP3 6857 23.196 51.652 35.137 1.00 0.00 WT1 H ATOM 20173 OH2 TIP3 6858 69.016 18.201 31.915 1.00 0.00 WT1 O ATOM 20174 H1 TIP3 6858 69.082 17.941 30.996 1.00 0.00 WT1 H ATOM 20175 H2 TIP3 6858 69.286 19.119 31.925 1.00 0.00 WT1 H ATOM 20176 OH2 TIP3 6859 80.421 68.852 40.284 1.00 0.00 WT1 O ATOM 20177 H1 TIP3 6859 81.311 68.900 39.935 1.00 0.00 WT1 H ATOM 20178 H2 TIP3 6859 79.857 68.918 39.514 1.00 0.00 WT1 H ATOM 20179 OH2 TIP3 6860 74.589 29.898 42.639 1.00 0.00 WT1 O ATOM 20180 H1 TIP3 6860 74.766 29.561 41.761 1.00 0.00 WT1 H ATOM 20181 H2 TIP3 6860 73.917 30.567 42.508 1.00 0.00 WT1 H ATOM 20182 OH2 TIP3 6861 75.546 52.313 20.685 1.00 0.00 WT1 O ATOM 20183 H1 TIP3 6861 75.078 52.538 19.881 1.00 0.00 WT1 H ATOM 20184 H2 TIP3 6861 75.380 53.049 21.274 1.00 0.00 WT1 H ATOM 20185 OH2 TIP3 6862 75.575 37.655 38.193 1.00 0.00 WT1 O ATOM 20186 H1 TIP3 6862 76.060 38.314 37.697 1.00 0.00 WT1 H ATOM 20187 H2 TIP3 6862 75.819 37.812 39.104 1.00 0.00 WT1 H ATOM 20188 OH2 TIP3 6863 39.757 91.839 -19.190 1.00 0.00 WT1 O ATOM 20189 H1 TIP3 6863 40.020 91.870 -20.110 1.00 0.00 WT1 H ATOM 20190 H2 TIP3 6863 39.080 91.162 -19.157 1.00 0.00 WT1 H ATOM 20191 OH2 TIP3 6864 60.129 13.778 7.895 1.00 0.00 WT1 O ATOM 20192 H1 TIP3 6864 60.142 13.358 8.755 1.00 0.00 WT1 H ATOM 20193 H2 TIP3 6864 60.945 14.278 7.861 1.00 0.00 WT1 H ATOM 20194 OH2 TIP3 6865 82.469 63.278 33.997 1.00 0.00 WT1 O ATOM 20195 H1 TIP3 6865 82.277 62.368 34.222 1.00 0.00 WT1 H ATOM 20196 H2 TIP3 6865 81.642 63.740 34.137 1.00 0.00 WT1 H ATOM 20197 OH2 TIP3 6866 53.439 72.540 2.903 1.00 0.00 WT1 O ATOM 20198 H1 TIP3 6866 53.463 71.857 3.572 1.00 0.00 WT1 H ATOM 20199 H2 TIP3 6866 53.852 73.297 3.318 1.00 0.00 WT1 H ATOM 20200 OH2 TIP3 6867 31.468 3.893 32.872 1.00 0.00 WT1 O ATOM 20201 H1 TIP3 6867 31.441 2.965 32.641 1.00 0.00 WT1 H ATOM 20202 H2 TIP3 6867 32.380 4.148 32.734 1.00 0.00 WT1 H ATOM 20203 OH2 TIP3 6868 74.448 33.910 60.964 1.00 0.00 WT1 O ATOM 20204 H1 TIP3 6868 73.681 33.541 60.527 1.00 0.00 WT1 H ATOM 20205 H2 TIP3 6868 74.270 33.796 61.898 1.00 0.00 WT1 H ATOM 20206 OH2 TIP3 6869 21.654 48.928 16.323 1.00 0.00 WT1 O ATOM 20207 H1 TIP3 6869 21.982 49.313 17.136 1.00 0.00 WT1 H ATOM 20208 H2 TIP3 6869 20.991 49.545 16.016 1.00 0.00 WT1 H ATOM 20209 OH2 TIP3 6870 31.200 0.166 63.363 1.00 0.00 WT1 O ATOM 20210 H1 TIP3 6870 32.127 0.051 63.574 1.00 0.00 WT1 H ATOM 20211 H2 TIP3 6870 30.806 0.479 64.178 1.00 0.00 WT1 H ATOM 20212 OH2 TIP3 6872 36.516 25.256 20.643 1.00 0.00 WT1 O ATOM 20213 H1 TIP3 6872 36.162 26.121 20.438 1.00 0.00 WT1 H ATOM 20214 H2 TIP3 6872 35.801 24.802 21.089 1.00 0.00 WT1 H ATOM 20215 OH2 TIP3 6873 62.509 46.428 15.748 1.00 0.00 WT1 O ATOM 20216 H1 TIP3 6873 62.367 47.305 16.103 1.00 0.00 WT1 H ATOM 20217 H2 TIP3 6873 61.680 45.973 15.895 1.00 0.00 WT1 H ATOM 20218 OH2 TIP3 6874 21.390 80.952 0.554 1.00 0.00 WT1 O ATOM 20219 H1 TIP3 6874 21.453 80.569 -0.321 1.00 0.00 WT1 H ATOM 20220 H2 TIP3 6874 22.235 81.379 0.691 1.00 0.00 WT1 H ATOM 20221 OH2 TIP3 6875 22.980 47.400 14.324 1.00 0.00 WT1 O ATOM 20222 H1 TIP3 6875 22.645 48.035 14.958 1.00 0.00 WT1 H ATOM 20223 H2 TIP3 6875 23.280 46.664 14.858 1.00 0.00 WT1 H ATOM 20224 OH2 TIP3 6878 51.898 18.373 65.233 1.00 0.00 WT1 O ATOM 20225 H1 TIP3 6878 52.374 19.041 65.726 1.00 0.00 WT1 H ATOM 20226 H2 TIP3 6878 51.982 18.643 64.318 1.00 0.00 WT1 H ATOM 20227 OH2 TIP3 6879 56.039 26.459 65.928 1.00 0.00 WT1 O ATOM 20228 H1 TIP3 6879 56.686 27.114 66.188 1.00 0.00 WT1 H ATOM 20229 H2 TIP3 6879 55.757 26.060 66.751 1.00 0.00 WT1 H ATOM 20230 OH2 TIP3 6880 57.787 10.748 45.310 1.00 0.00 WT1 O ATOM 20231 H1 TIP3 6880 57.040 11.282 45.582 1.00 0.00 WT1 H ATOM 20232 H2 TIP3 6880 57.422 10.131 44.675 1.00 0.00 WT1 H ATOM 20233 OH2 TIP3 6883 29.056 84.160 40.825 1.00 0.00 WT1 O ATOM 20234 H1 TIP3 6883 28.407 83.502 41.077 1.00 0.00 WT1 H ATOM 20235 H2 TIP3 6883 28.645 84.639 40.105 1.00 0.00 WT1 H ATOM 20236 OH2 TIP3 6884 33.859 79.091 39.292 1.00 0.00 WT1 O ATOM 20237 H1 TIP3 6884 33.744 78.379 38.662 1.00 0.00 WT1 H ATOM 20238 H2 TIP3 6884 34.406 78.715 39.982 1.00 0.00 WT1 H ATOM 20239 OH2 TIP3 6886 76.528 39.971 26.155 1.00 0.00 WT1 O ATOM 20240 H1 TIP3 6886 75.915 39.294 26.443 1.00 0.00 WT1 H ATOM 20241 H2 TIP3 6886 76.016 40.780 26.168 1.00 0.00 WT1 H ATOM 20242 OH2 TIP3 6887 78.180 54.648 1.851 1.00 0.00 WT1 O ATOM 20243 H1 TIP3 6887 77.562 54.439 2.552 1.00 0.00 WT1 H ATOM 20244 H2 TIP3 6887 78.748 55.322 2.225 1.00 0.00 WT1 H ATOM 20245 OH2 TIP3 6888 54.252 16.136 5.027 1.00 0.00 WT1 O ATOM 20246 H1 TIP3 6888 54.248 15.724 4.164 1.00 0.00 WT1 H ATOM 20247 H2 TIP3 6888 55.156 16.427 5.150 1.00 0.00 WT1 H ATOM 20248 OH2 TIP3 6889 38.861 56.798 13.751 1.00 0.00 WT1 O ATOM 20249 H1 TIP3 6889 39.434 56.450 14.434 1.00 0.00 WT1 H ATOM 20250 H2 TIP3 6889 39.447 56.984 13.017 1.00 0.00 WT1 H ATOM 20251 OH2 TIP3 6890 79.452 49.382 20.671 1.00 0.00 WT1 O ATOM 20252 H1 TIP3 6890 78.849 48.657 20.835 1.00 0.00 WT1 H ATOM 20253 H2 TIP3 6890 78.955 50.165 20.906 1.00 0.00 WT1 H ATOM 20254 OH2 TIP3 6891 49.116 77.421 -1.580 1.00 0.00 WT1 O ATOM 20255 H1 TIP3 6891 49.987 77.039 -1.683 1.00 0.00 WT1 H ATOM 20256 H2 TIP3 6891 48.721 76.928 -0.861 1.00 0.00 WT1 H ATOM 20257 OH2 TIP3 6892 45.688 5.111 -13.068 1.00 0.00 WT1 O ATOM 20258 H1 TIP3 6892 46.069 5.987 -13.011 1.00 0.00 WT1 H ATOM 20259 H2 TIP3 6892 45.297 5.075 -13.940 1.00 0.00 WT1 H ATOM 20260 OH2 TIP3 6893 59.004 20.034 60.422 1.00 0.00 WT1 O ATOM 20261 H1 TIP3 6893 59.026 20.924 60.070 1.00 0.00 WT1 H ATOM 20262 H2 TIP3 6893 58.231 20.019 60.987 1.00 0.00 WT1 H ATOM 20263 OH2 TIP3 6894 60.113 45.120 15.516 1.00 0.00 WT1 O ATOM 20264 H1 TIP3 6894 59.214 44.811 15.409 1.00 0.00 WT1 H ATOM 20265 H2 TIP3 6894 60.280 45.646 14.733 1.00 0.00 WT1 H ATOM 20266 OH2 TIP3 6895 21.015 21.704 -16.675 1.00 0.00 WT1 O ATOM 20267 H1 TIP3 6895 20.597 22.285 -16.039 1.00 0.00 WT1 H ATOM 20268 H2 TIP3 6895 21.069 22.225 -17.476 1.00 0.00 WT1 H ATOM 20269 OH2 TIP3 6896 35.751 36.194 53.997 1.00 0.00 WT1 O ATOM 20270 H1 TIP3 6896 34.868 36.538 53.865 1.00 0.00 WT1 H ATOM 20271 H2 TIP3 6896 35.759 35.365 53.517 1.00 0.00 WT1 H ATOM 20272 OH2 TIP3 6897 74.118 50.035 31.182 1.00 0.00 WT1 O ATOM 20273 H1 TIP3 6897 73.353 50.182 30.625 1.00 0.00 WT1 H ATOM 20274 H2 TIP3 6897 73.862 50.381 32.037 1.00 0.00 WT1 H ATOM 20275 OH2 TIP3 6898 40.219 40.692 21.677 1.00 0.00 WT1 O ATOM 20276 H1 TIP3 6898 40.815 41.184 22.242 1.00 0.00 WT1 H ATOM 20277 H2 TIP3 6898 40.291 39.788 21.983 1.00 0.00 WT1 H ATOM 20278 OH2 TIP3 6899 40.547 48.821 53.334 1.00 0.00 WT1 O ATOM 20279 H1 TIP3 6899 41.413 48.444 53.177 1.00 0.00 WT1 H ATOM 20280 H2 TIP3 6899 40.083 48.707 52.505 1.00 0.00 WT1 H ATOM 20281 OH2 TIP3 6900 80.965 38.670 24.419 1.00 0.00 WT1 O ATOM 20282 H1 TIP3 6900 81.255 38.389 23.551 1.00 0.00 WT1 H ATOM 20283 H2 TIP3 6900 80.035 38.870 24.308 1.00 0.00 WT1 H ATOM 20284 OH2 TIP3 6902 54.305 50.073 25.110 1.00 0.00 WT1 O ATOM 20285 H1 TIP3 6902 54.346 50.738 24.422 1.00 0.00 WT1 H ATOM 20286 H2 TIP3 6902 55.107 49.564 24.999 1.00 0.00 WT1 H ATOM 20287 OH2 TIP3 6903 85.491 50.673 23.897 1.00 0.00 WT1 O ATOM 20288 H1 TIP3 6903 84.934 50.512 24.659 1.00 0.00 WT1 H ATOM 20289 H2 TIP3 6903 84.893 51.010 23.229 1.00 0.00 WT1 H ATOM 20290 OH2 TIP3 6905 72.316 92.387 55.971 1.00 0.00 WT1 O ATOM 20291 H1 TIP3 6905 72.683 93.053 56.552 1.00 0.00 WT1 H ATOM 20292 H2 TIP3 6905 71.612 91.985 56.481 1.00 0.00 WT1 H ATOM 20293 OH2 TIP3 6906 57.414 22.673 49.169 1.00 0.00 WT1 O ATOM 20294 H1 TIP3 6906 56.966 22.763 50.010 1.00 0.00 WT1 H ATOM 20295 H2 TIP3 6906 56.707 22.594 48.528 1.00 0.00 WT1 H ATOM 20296 OH2 TIP3 6907 23.971 65.569 28.252 1.00 0.00 WT1 O ATOM 20297 H1 TIP3 6907 24.504 65.781 27.486 1.00 0.00 WT1 H ATOM 20298 H2 TIP3 6907 23.120 65.319 27.891 1.00 0.00 WT1 H ATOM 20299 OH2 TIP3 6908 63.972 33.278 7.914 1.00 0.00 WT1 O ATOM 20300 H1 TIP3 6908 63.678 34.126 7.580 1.00 0.00 WT1 H ATOM 20301 H2 TIP3 6908 63.238 32.960 8.441 1.00 0.00 WT1 H ATOM 20302 OH2 TIP3 6909 63.865 86.631 -8.317 1.00 0.00 WT1 O ATOM 20303 H1 TIP3 6909 64.178 87.536 -8.324 1.00 0.00 WT1 H ATOM 20304 H2 TIP3 6909 63.465 86.522 -7.454 1.00 0.00 WT1 H ATOM 20305 OH2 TIP3 6910 78.089 76.270 -18.100 1.00 0.00 WT1 O ATOM 20306 H1 TIP3 6910 78.192 77.215 -17.982 1.00 0.00 WT1 H ATOM 20307 H2 TIP3 6910 78.311 76.118 -19.018 1.00 0.00 WT1 H ATOM 20308 OH2 TIP3 6911 33.574 79.918 -0.869 1.00 0.00 WT1 O ATOM 20309 H1 TIP3 6911 33.302 79.080 -1.243 1.00 0.00 WT1 H ATOM 20310 H2 TIP3 6911 34.417 80.102 -1.282 1.00 0.00 WT1 H ATOM 20311 OH2 TIP3 6912 53.422 9.667 32.094 1.00 0.00 WT1 O ATOM 20312 H1 TIP3 6912 52.639 9.490 31.573 1.00 0.00 WT1 H ATOM 20313 H2 TIP3 6912 54.151 9.467 31.507 1.00 0.00 WT1 H ATOM 20314 OH2 TIP3 6913 76.034 73.558 9.739 1.00 0.00 WT1 O ATOM 20315 H1 TIP3 6913 75.115 73.715 9.522 1.00 0.00 WT1 H ATOM 20316 H2 TIP3 6913 76.472 73.487 8.891 1.00 0.00 WT1 H ATOM 20317 OH2 TIP3 6914 68.129 75.697 40.829 1.00 0.00 WT1 O ATOM 20318 H1 TIP3 6914 68.043 75.414 39.919 1.00 0.00 WT1 H ATOM 20319 H2 TIP3 6914 67.266 76.043 41.056 1.00 0.00 WT1 H ATOM 20320 OH2 TIP3 6915 41.421 61.810 -15.815 1.00 0.00 WT1 O ATOM 20321 H1 TIP3 6915 41.593 62.551 -15.233 1.00 0.00 WT1 H ATOM 20322 H2 TIP3 6915 40.801 61.264 -15.332 1.00 0.00 WT1 H ATOM 20323 OH2 TIP3 6916 45.024 30.338 -11.910 1.00 0.00 WT1 O ATOM 20324 H1 TIP3 6916 45.235 29.470 -11.566 1.00 0.00 WT1 H ATOM 20325 H2 TIP3 6916 44.960 30.895 -11.134 1.00 0.00 WT1 H ATOM 20326 OH2 TIP3 6917 57.994 14.607 42.113 1.00 0.00 WT1 O ATOM 20327 H1 TIP3 6917 57.265 14.595 42.733 1.00 0.00 WT1 H ATOM 20328 H2 TIP3 6917 57.787 15.323 41.513 1.00 0.00 WT1 H ATOM 20329 OH2 TIP3 6919 90.531 34.325 -17.318 1.00 0.00 WT1 O ATOM 20330 H1 TIP3 6919 90.047 35.144 -17.207 1.00 0.00 WT1 H ATOM 20331 H2 TIP3 6919 89.913 33.644 -17.053 1.00 0.00 WT1 H ATOM 20332 OH2 TIP3 6920 68.059 56.205 15.406 1.00 0.00 WT1 O ATOM 20333 H1 TIP3 6920 67.589 55.419 15.685 1.00 0.00 WT1 H ATOM 20334 H2 TIP3 6920 67.428 56.682 14.867 1.00 0.00 WT1 H ATOM 20335 OH2 TIP3 6921 85.907 55.243 19.646 1.00 0.00 WT1 O ATOM 20336 H1 TIP3 6921 85.642 55.858 18.962 1.00 0.00 WT1 H ATOM 20337 H2 TIP3 6921 85.845 54.382 19.231 1.00 0.00 WT1 H ATOM 20338 OH2 TIP3 6922 38.701 39.668 3.770 1.00 0.00 WT1 O ATOM 20339 H1 TIP3 6922 38.594 39.375 4.675 1.00 0.00 WT1 H ATOM 20340 H2 TIP3 6922 37.844 40.020 3.529 1.00 0.00 WT1 H ATOM 20341 OH2 TIP3 6923 32.368 50.084 13.250 1.00 0.00 WT1 O ATOM 20342 H1 TIP3 6923 33.272 49.815 13.087 1.00 0.00 WT1 H ATOM 20343 H2 TIP3 6923 32.176 50.713 12.554 1.00 0.00 WT1 H ATOM 20344 OH2 TIP3 6924 35.789 35.564 21.080 1.00 0.00 WT1 O ATOM 20345 H1 TIP3 6924 36.544 35.660 21.661 1.00 0.00 WT1 H ATOM 20346 H2 TIP3 6924 36.148 35.674 20.200 1.00 0.00 WT1 H ATOM 20347 OH2 TIP3 6925 21.695 64.866 53.134 1.00 0.00 WT1 O ATOM 20348 H1 TIP3 6925 22.322 65.563 52.940 1.00 0.00 WT1 H ATOM 20349 H2 TIP3 6925 20.922 65.088 52.615 1.00 0.00 WT1 H ATOM 20350 OH2 TIP3 6927 85.485 50.935 -4.994 1.00 0.00 WT1 O ATOM 20351 H1 TIP3 6927 84.559 51.172 -4.934 1.00 0.00 WT1 H ATOM 20352 H2 TIP3 6927 85.650 50.852 -5.933 1.00 0.00 WT1 H ATOM 20353 OH2 TIP3 6928 66.945 82.443 42.085 1.00 0.00 WT1 O ATOM 20354 H1 TIP3 6928 65.993 82.420 42.189 1.00 0.00 WT1 H ATOM 20355 H2 TIP3 6928 67.163 81.600 41.688 1.00 0.00 WT1 H ATOM 20356 OH2 TIP3 6929 81.738 44.775 62.177 1.00 0.00 WT1 O ATOM 20357 H1 TIP3 6929 80.825 44.533 62.022 1.00 0.00 WT1 H ATOM 20358 H2 TIP3 6929 81.691 45.521 62.775 1.00 0.00 WT1 H ATOM 20359 OH2 TIP3 6930 86.052 27.176 42.571 1.00 0.00 WT1 O ATOM 20360 H1 TIP3 6930 85.673 27.995 42.891 1.00 0.00 WT1 H ATOM 20361 H2 TIP3 6930 86.148 26.634 43.354 1.00 0.00 WT1 H ATOM 20362 OH2 TIP3 6931 37.929 68.860 37.964 1.00 0.00 WT1 O ATOM 20363 H1 TIP3 6931 38.254 69.760 37.962 1.00 0.00 WT1 H ATOM 20364 H2 TIP3 6931 38.608 68.359 37.511 1.00 0.00 WT1 H ATOM 20365 OH2 TIP3 6932 31.394 21.627 52.549 1.00 0.00 WT1 O ATOM 20366 H1 TIP3 6932 31.818 20.938 52.038 1.00 0.00 WT1 H ATOM 20367 H2 TIP3 6932 31.899 21.670 53.361 1.00 0.00 WT1 H ATOM 20368 OH2 TIP3 6933 33.986 29.702 36.722 1.00 0.00 WT1 O ATOM 20369 H1 TIP3 6933 34.822 29.250 36.610 1.00 0.00 WT1 H ATOM 20370 H2 TIP3 6933 34.190 30.625 36.568 1.00 0.00 WT1 H ATOM 20371 OH2 TIP3 6934 88.125 45.601 39.553 1.00 0.00 WT1 O ATOM 20372 H1 TIP3 6934 88.648 44.824 39.356 1.00 0.00 WT1 H ATOM 20373 H2 TIP3 6934 87.619 45.359 40.329 1.00 0.00 WT1 H ATOM 20374 OH2 TIP3 6935 85.819 24.723 55.591 1.00 0.00 WT1 O ATOM 20375 H1 TIP3 6935 84.920 24.844 55.286 1.00 0.00 WT1 H ATOM 20376 H2 TIP3 6935 85.769 24.851 56.539 1.00 0.00 WT1 H ATOM 20377 OH2 TIP3 6936 45.941 67.183 -14.762 1.00 0.00 WT1 O ATOM 20378 H1 TIP3 6936 45.333 66.727 -15.344 1.00 0.00 WT1 H ATOM 20379 H2 TIP3 6936 45.380 67.723 -14.205 1.00 0.00 WT1 H ATOM 20380 OH2 TIP3 6937 40.038 87.826 44.796 1.00 0.00 WT1 O ATOM 20381 H1 TIP3 6937 39.510 87.499 45.524 1.00 0.00 WT1 H ATOM 20382 H2 TIP3 6937 39.926 87.172 44.106 1.00 0.00 WT1 H ATOM 20383 OH2 TIP3 6938 26.094 74.268 -18.018 1.00 0.00 WT1 O ATOM 20384 H1 TIP3 6938 25.459 73.984 -18.675 1.00 0.00 WT1 H ATOM 20385 H2 TIP3 6938 26.776 73.596 -18.037 1.00 0.00 WT1 H ATOM 20386 OH2 TIP3 6940 76.551 67.376 40.815 1.00 0.00 WT1 O ATOM 20387 H1 TIP3 6940 76.749 66.751 41.512 1.00 0.00 WT1 H ATOM 20388 H2 TIP3 6940 76.421 66.835 40.037 1.00 0.00 WT1 H ATOM 20389 OH2 TIP3 6941 61.304 25.765 34.596 1.00 0.00 WT1 O ATOM 20390 H1 TIP3 6941 61.435 26.445 33.935 1.00 0.00 WT1 H ATOM 20391 H2 TIP3 6941 61.493 24.946 34.138 1.00 0.00 WT1 H ATOM 20392 OH2 TIP3 6943 27.721 52.542 16.528 1.00 0.00 WT1 O ATOM 20393 H1 TIP3 6943 28.479 52.944 16.953 1.00 0.00 WT1 H ATOM 20394 H2 TIP3 6943 28.060 51.730 16.151 1.00 0.00 WT1 H ATOM 20395 OH2 TIP3 6944 38.090 6.505 0.330 1.00 0.00 WT1 O ATOM 20396 H1 TIP3 6944 38.115 6.725 1.261 1.00 0.00 WT1 H ATOM 20397 H2 TIP3 6944 38.239 5.560 0.303 1.00 0.00 WT1 H ATOM 20398 OH2 TIP3 6945 83.631 8.966 38.313 1.00 0.00 WT1 O ATOM 20399 H1 TIP3 6945 83.326 8.261 38.885 1.00 0.00 WT1 H ATOM 20400 H2 TIP3 6945 83.302 9.766 38.723 1.00 0.00 WT1 H ATOM 20401 OH2 TIP3 6946 79.705 6.386 35.103 1.00 0.00 WT1 O ATOM 20402 H1 TIP3 6946 80.597 6.647 34.875 1.00 0.00 WT1 H ATOM 20403 H2 TIP3 6946 79.363 7.120 35.614 1.00 0.00 WT1 H ATOM 20404 OH2 TIP3 6947 26.799 40.216 -18.047 1.00 0.00 WT1 O ATOM 20405 H1 TIP3 6947 27.216 40.148 -17.188 1.00 0.00 WT1 H ATOM 20406 H2 TIP3 6947 26.933 39.357 -18.447 1.00 0.00 WT1 H ATOM 20407 OH2 TIP3 6949 83.821 61.245 19.512 1.00 0.00 WT1 O ATOM 20408 H1 TIP3 6949 84.443 61.770 19.007 1.00 0.00 WT1 H ATOM 20409 H2 TIP3 6949 83.473 61.849 20.168 1.00 0.00 WT1 H ATOM 20410 OH2 TIP3 6950 76.898 50.213 63.396 1.00 0.00 WT1 O ATOM 20411 H1 TIP3 6950 77.602 50.058 62.766 1.00 0.00 WT1 H ATOM 20412 H2 TIP3 6950 77.178 50.990 63.881 1.00 0.00 WT1 H ATOM 20413 OH2 TIP3 6951 34.205 43.256 48.156 1.00 0.00 WT1 O ATOM 20414 H1 TIP3 6951 34.716 43.838 48.719 1.00 0.00 WT1 H ATOM 20415 H2 TIP3 6951 33.295 43.430 48.394 1.00 0.00 WT1 H ATOM 20416 OH2 TIP3 6952 45.624 62.549 48.301 1.00 0.00 WT1 O ATOM 20417 H1 TIP3 6952 45.960 62.171 47.488 1.00 0.00 WT1 H ATOM 20418 H2 TIP3 6952 45.960 63.445 48.306 1.00 0.00 WT1 H ATOM 20419 OH2 TIP3 6953 61.073 40.129 59.983 1.00 0.00 WT1 O ATOM 20420 H1 TIP3 6953 60.372 40.695 60.306 1.00 0.00 WT1 H ATOM 20421 H2 TIP3 6953 61.706 40.731 59.591 1.00 0.00 WT1 H ATOM 20422 OH2 TIP3 6954 39.211 63.332 1.779 1.00 0.00 WT1 O ATOM 20423 H1 TIP3 6954 38.827 64.207 1.834 1.00 0.00 WT1 H ATOM 20424 H2 TIP3 6954 38.792 62.933 1.016 1.00 0.00 WT1 H ATOM 20425 OH2 TIP3 6955 73.416 84.837 22.968 1.00 0.00 WT1 O ATOM 20426 H1 TIP3 6955 73.577 84.118 22.358 1.00 0.00 WT1 H ATOM 20427 H2 TIP3 6955 72.496 84.743 23.213 1.00 0.00 WT1 H ATOM 20428 OH2 TIP3 6957 43.991 41.140 -15.213 1.00 0.00 WT1 O ATOM 20429 H1 TIP3 6957 44.044 40.777 -14.329 1.00 0.00 WT1 H ATOM 20430 H2 TIP3 6957 44.071 42.086 -15.090 1.00 0.00 WT1 H ATOM 20431 OH2 TIP3 6958 33.190 26.082 15.207 1.00 0.00 WT1 O ATOM 20432 H1 TIP3 6958 32.732 26.250 14.383 1.00 0.00 WT1 H ATOM 20433 H2 TIP3 6958 32.497 25.842 15.822 1.00 0.00 WT1 H ATOM 20434 OH2 TIP3 6959 84.192 35.658 23.442 1.00 0.00 WT1 O ATOM 20435 H1 TIP3 6959 84.911 36.191 23.103 1.00 0.00 WT1 H ATOM 20436 H2 TIP3 6959 84.398 34.767 23.156 1.00 0.00 WT1 H ATOM 20437 OH2 TIP3 6963 74.556 19.448 2.255 1.00 0.00 WT1 O ATOM 20438 H1 TIP3 6963 74.790 20.166 1.666 1.00 0.00 WT1 H ATOM 20439 H2 TIP3 6963 74.973 19.675 3.086 1.00 0.00 WT1 H ATOM 20440 OH2 TIP3 6964 38.261 46.648 55.318 1.00 0.00 WT1 O ATOM 20441 H1 TIP3 6964 37.535 46.053 55.132 1.00 0.00 WT1 H ATOM 20442 H2 TIP3 6964 38.896 46.111 55.791 1.00 0.00 WT1 H ATOM 20443 OH2 TIP3 6965 41.107 57.950 57.133 1.00 0.00 WT1 O ATOM 20444 H1 TIP3 6965 41.193 57.481 57.963 1.00 0.00 WT1 H ATOM 20445 H2 TIP3 6965 40.638 58.753 57.358 1.00 0.00 WT1 H ATOM 20446 OH2 TIP3 6967 28.953 44.787 60.985 1.00 0.00 WT1 O ATOM 20447 H1 TIP3 6967 29.466 45.574 61.168 1.00 0.00 WT1 H ATOM 20448 H2 TIP3 6967 29.142 44.202 61.718 1.00 0.00 WT1 H ATOM 20449 OH2 TIP3 6968 43.420 82.048 31.316 1.00 0.00 WT1 O ATOM 20450 H1 TIP3 6968 44.324 81.868 31.058 1.00 0.00 WT1 H ATOM 20451 H2 TIP3 6968 43.210 82.879 30.890 1.00 0.00 WT1 H ATOM 20452 OH2 TIP3 6969 57.930 41.058 23.763 1.00 0.00 WT1 O ATOM 20453 H1 TIP3 6969 57.816 41.453 22.899 1.00 0.00 WT1 H ATOM 20454 H2 TIP3 6969 57.140 41.303 24.245 1.00 0.00 WT1 H ATOM 20455 OH2 TIP3 6970 28.935 9.355 64.909 1.00 0.00 WT1 O ATOM 20456 H1 TIP3 6970 29.281 9.919 65.600 1.00 0.00 WT1 H ATOM 20457 H2 TIP3 6970 28.786 8.513 65.338 1.00 0.00 WT1 H ATOM 20458 OH2 TIP3 6971 63.571 9.275 -0.610 1.00 0.00 WT1 O ATOM 20459 H1 TIP3 6971 63.472 10.131 -1.027 1.00 0.00 WT1 H ATOM 20460 H2 TIP3 6971 63.544 9.460 0.329 1.00 0.00 WT1 H ATOM 20461 OH2 TIP3 6972 76.786 96.275 52.972 1.00 0.00 WT1 O ATOM 20462 H1 TIP3 6972 76.254 97.062 52.853 1.00 0.00 WT1 H ATOM 20463 H2 TIP3 6972 76.428 95.646 52.345 1.00 0.00 WT1 H ATOM 20464 OH2 TIP3 6973 68.108 28.594 33.035 1.00 0.00 WT1 O ATOM 20465 H1 TIP3 6973 68.998 28.899 33.208 1.00 0.00 WT1 H ATOM 20466 H2 TIP3 6973 67.751 28.390 33.900 1.00 0.00 WT1 H ATOM 20467 OH2 TIP3 6974 79.759 71.566 -14.178 1.00 0.00 WT1 O ATOM 20468 H1 TIP3 6974 79.864 70.894 -13.504 1.00 0.00 WT1 H ATOM 20469 H2 TIP3 6974 79.600 71.074 -14.984 1.00 0.00 WT1 H ATOM 20470 OH2 TIP3 6975 66.148 35.053 -14.845 1.00 0.00 WT1 O ATOM 20471 H1 TIP3 6975 66.640 34.247 -14.690 1.00 0.00 WT1 H ATOM 20472 H2 TIP3 6975 65.559 34.840 -15.569 1.00 0.00 WT1 H ATOM 20473 OH2 TIP3 6976 86.874 93.278 63.714 1.00 0.00 WT1 O ATOM 20474 H1 TIP3 6976 85.969 93.551 63.862 1.00 0.00 WT1 H ATOM 20475 H2 TIP3 6976 87.402 93.973 64.108 1.00 0.00 WT1 H ATOM 20476 OH2 TIP3 6977 33.854 44.271 -13.713 1.00 0.00 WT1 O ATOM 20477 H1 TIP3 6977 33.978 45.053 -14.251 1.00 0.00 WT1 H ATOM 20478 H2 TIP3 6977 32.916 44.258 -13.522 1.00 0.00 WT1 H ATOM 20479 OH2 TIP3 6978 67.309 4.042 56.014 1.00 0.00 WT1 O ATOM 20480 H1 TIP3 6978 67.808 3.356 55.571 1.00 0.00 WT1 H ATOM 20481 H2 TIP3 6978 67.907 4.383 56.679 1.00 0.00 WT1 H ATOM 20482 OH2 TIP3 6979 63.382 25.111 66.066 1.00 0.00 WT1 O ATOM 20483 H1 TIP3 6979 62.964 25.266 66.913 1.00 0.00 WT1 H ATOM 20484 H2 TIP3 6979 63.279 25.936 65.592 1.00 0.00 WT1 H ATOM 20485 OH2 TIP3 6980 29.244 69.225 2.547 1.00 0.00 WT1 O ATOM 20486 H1 TIP3 6980 29.739 69.562 3.293 1.00 0.00 WT1 H ATOM 20487 H2 TIP3 6980 28.327 69.346 2.792 1.00 0.00 WT1 H ATOM 20488 OH2 TIP3 6983 32.837 47.709 -15.460 1.00 0.00 WT1 O ATOM 20489 H1 TIP3 6983 33.640 48.092 -15.813 1.00 0.00 WT1 H ATOM 20490 H2 TIP3 6983 32.908 47.833 -14.513 1.00 0.00 WT1 H ATOM 20491 OH2 TIP3 6985 26.716 65.228 7.648 1.00 0.00 WT1 O ATOM 20492 H1 TIP3 6985 26.001 64.607 7.505 1.00 0.00 WT1 H ATOM 20493 H2 TIP3 6985 26.325 65.929 8.170 1.00 0.00 WT1 H ATOM 20494 OH2 TIP3 6987 66.632 61.351 42.356 1.00 0.00 WT1 O ATOM 20495 H1 TIP3 6987 65.825 60.837 42.310 1.00 0.00 WT1 H ATOM 20496 H2 TIP3 6987 66.416 62.176 41.923 1.00 0.00 WT1 H ATOM 20497 OH2 TIP3 6988 20.666 77.155 40.580 1.00 0.00 WT1 O ATOM 20498 H1 TIP3 6988 21.297 76.463 40.381 1.00 0.00 WT1 H ATOM 20499 H2 TIP3 6988 20.007 77.085 39.890 1.00 0.00 WT1 H ATOM 20500 OH2 TIP3 6989 25.897 36.197 25.872 1.00 0.00 WT1 O ATOM 20501 H1 TIP3 6989 25.747 36.391 26.797 1.00 0.00 WT1 H ATOM 20502 H2 TIP3 6989 26.844 36.281 25.759 1.00 0.00 WT1 H ATOM 20503 OH2 TIP3 6991 55.729 42.431 22.315 1.00 0.00 WT1 O ATOM 20504 H1 TIP3 6991 56.351 42.480 21.590 1.00 0.00 WT1 H ATOM 20505 H2 TIP3 6991 55.470 43.339 22.472 1.00 0.00 WT1 H ATOM 20506 OH2 TIP3 6992 52.295 82.506 28.194 1.00 0.00 WT1 O ATOM 20507 H1 TIP3 6992 52.430 81.784 28.808 1.00 0.00 WT1 H ATOM 20508 H2 TIP3 6992 51.709 82.148 27.527 1.00 0.00 WT1 H ATOM 20509 OH2 TIP3 6993 82.112 55.909 15.750 1.00 0.00 WT1 O ATOM 20510 H1 TIP3 6993 81.986 56.173 16.661 1.00 0.00 WT1 H ATOM 20511 H2 TIP3 6993 82.037 54.955 15.764 1.00 0.00 WT1 H ATOM 20512 OH2 TIP3 6994 64.535 92.296 19.032 1.00 0.00 WT1 O ATOM 20513 H1 TIP3 6994 64.941 93.157 18.935 1.00 0.00 WT1 H ATOM 20514 H2 TIP3 6994 64.694 91.860 18.194 1.00 0.00 WT1 H ATOM 20515 OH2 TIP3 6995 65.634 31.003 21.772 1.00 0.00 WT1 O ATOM 20516 H1 TIP3 6995 65.797 30.095 22.028 1.00 0.00 WT1 H ATOM 20517 H2 TIP3 6995 66.502 31.407 21.758 1.00 0.00 WT1 H ATOM 20518 OH2 TIP3 6997 89.091 75.240 26.470 1.00 0.00 WT1 O ATOM 20519 H1 TIP3 6997 89.305 74.978 25.575 1.00 0.00 WT1 H ATOM 20520 H2 TIP3 6997 89.304 76.173 26.505 1.00 0.00 WT1 H ATOM 20521 OH2 TIP3 6998 26.437 72.206 47.972 1.00 0.00 WT1 O ATOM 20522 H1 TIP3 6998 26.807 73.087 48.023 1.00 0.00 WT1 H ATOM 20523 H2 TIP3 6998 27.172 71.625 48.166 1.00 0.00 WT1 H ATOM 20524 OH2 TIP3 6999 70.823 0.876 -11.187 1.00 0.00 WT1 O ATOM 20525 H1 TIP3 6999 71.260 0.027 -11.121 1.00 0.00 WT1 H ATOM 20526 H2 TIP3 6999 69.935 0.667 -11.476 1.00 0.00 WT1 H ATOM 20527 OH2 TIP3 7000 72.243 60.889 -12.664 1.00 0.00 WT1 O ATOM 20528 H1 TIP3 7000 71.987 61.165 -13.544 1.00 0.00 WT1 H ATOM 20529 H2 TIP3 7000 71.438 60.949 -12.150 1.00 0.00 WT1 H ATOM 20530 OH2 TIP3 7001 82.127 70.288 11.901 1.00 0.00 WT1 O ATOM 20531 H1 TIP3 7001 82.520 71.038 12.347 1.00 0.00 WT1 H ATOM 20532 H2 TIP3 7001 82.700 69.553 12.117 1.00 0.00 WT1 H ATOM 20533 OH2 TIP3 7002 33.698 52.476 -6.490 1.00 0.00 WT1 O ATOM 20534 H1 TIP3 7002 33.856 52.359 -5.553 1.00 0.00 WT1 H ATOM 20535 H2 TIP3 7002 32.745 52.488 -6.573 1.00 0.00 WT1 H ATOM 20536 OH2 TIP3 7003 71.033 28.485 23.663 1.00 0.00 WT1 O ATOM 20537 H1 TIP3 7003 71.477 28.963 24.363 1.00 0.00 WT1 H ATOM 20538 H2 TIP3 7003 70.172 28.897 23.599 1.00 0.00 WT1 H ATOM 20539 OH2 TIP3 7004 25.882 73.980 -3.197 1.00 0.00 WT1 O ATOM 20540 H1 TIP3 7004 26.780 74.237 -3.410 1.00 0.00 WT1 H ATOM 20541 H2 TIP3 7004 25.828 73.060 -3.454 1.00 0.00 WT1 H ATOM 20542 OH2 TIP3 7005 88.581 48.521 18.031 1.00 0.00 WT1 O ATOM 20543 H1 TIP3 7005 89.476 48.215 17.887 1.00 0.00 WT1 H ATOM 20544 H2 TIP3 7005 88.046 47.728 17.989 1.00 0.00 WT1 H ATOM 20545 OH2 TIP3 7006 64.852 71.529 38.556 1.00 0.00 WT1 O ATOM 20546 H1 TIP3 7006 64.054 71.978 38.278 1.00 0.00 WT1 H ATOM 20547 H2 TIP3 7006 65.048 70.923 37.841 1.00 0.00 WT1 H ATOM 20548 OH2 TIP3 7007 32.552 65.866 -6.325 1.00 0.00 WT1 O ATOM 20549 H1 TIP3 7007 32.525 64.910 -6.298 1.00 0.00 WT1 H ATOM 20550 H2 TIP3 7007 32.974 66.070 -7.160 1.00 0.00 WT1 H ATOM 20551 OH2 TIP3 7008 54.013 65.073 53.645 1.00 0.00 WT1 O ATOM 20552 H1 TIP3 7008 54.391 64.202 53.762 1.00 0.00 WT1 H ATOM 20553 H2 TIP3 7008 53.700 65.080 52.740 1.00 0.00 WT1 H ATOM 20554 OH2 TIP3 7009 89.450 75.123 12.676 1.00 0.00 WT1 O ATOM 20555 H1 TIP3 7009 89.152 75.718 13.364 1.00 0.00 WT1 H ATOM 20556 H2 TIP3 7009 89.036 74.286 12.887 1.00 0.00 WT1 H ATOM 20557 OH2 TIP3 7010 90.684 65.703 29.427 1.00 0.00 WT1 O ATOM 20558 H1 TIP3 7010 90.647 66.629 29.186 1.00 0.00 WT1 H ATOM 20559 H2 TIP3 7010 89.857 65.539 29.879 1.00 0.00 WT1 H ATOM 20560 OH2 TIP3 7011 59.353 76.481 63.056 1.00 0.00 WT1 O ATOM 20561 H1 TIP3 7011 60.289 76.336 62.918 1.00 0.00 WT1 H ATOM 20562 H2 TIP3 7011 58.989 75.604 63.175 1.00 0.00 WT1 H ATOM 20563 OH2 TIP3 7012 70.068 31.249 -15.946 1.00 0.00 WT1 O ATOM 20564 H1 TIP3 7012 69.586 31.199 -16.772 1.00 0.00 WT1 H ATOM 20565 H2 TIP3 7012 70.874 30.759 -16.109 1.00 0.00 WT1 H ATOM 20566 OH2 TIP3 7013 23.293 36.209 4.070 1.00 0.00 WT1 O ATOM 20567 H1 TIP3 7013 23.938 36.679 3.542 1.00 0.00 WT1 H ATOM 20568 H2 TIP3 7013 23.703 35.365 4.255 1.00 0.00 WT1 H ATOM 20569 OH2 TIP3 7014 79.498 57.030 10.721 1.00 0.00 WT1 O ATOM 20570 H1 TIP3 7014 79.398 57.542 11.524 1.00 0.00 WT1 H ATOM 20571 H2 TIP3 7014 80.171 56.383 10.932 1.00 0.00 WT1 H ATOM 20572 OH2 TIP3 7015 70.992 38.097 24.616 1.00 0.00 WT1 O ATOM 20573 H1 TIP3 7015 70.210 38.447 24.190 1.00 0.00 WT1 H ATOM 20574 H2 TIP3 7015 71.592 37.906 23.895 1.00 0.00 WT1 H ATOM 20575 OH2 TIP3 7016 34.018 27.018 26.282 1.00 0.00 WT1 O ATOM 20576 H1 TIP3 7016 34.800 26.802 26.790 1.00 0.00 WT1 H ATOM 20577 H2 TIP3 7016 34.073 27.964 26.147 1.00 0.00 WT1 H ATOM 20578 OH2 TIP3 7017 72.610 3.604 0.378 1.00 0.00 WT1 O ATOM 20579 H1 TIP3 7017 72.904 3.718 1.282 1.00 0.00 WT1 H ATOM 20580 H2 TIP3 7017 72.023 2.849 0.410 1.00 0.00 WT1 H ATOM 20581 OH2 TIP3 7018 63.404 35.884 19.062 1.00 0.00 WT1 O ATOM 20582 H1 TIP3 7018 62.954 35.270 19.643 1.00 0.00 WT1 H ATOM 20583 H2 TIP3 7018 62.854 35.919 18.279 1.00 0.00 WT1 H ATOM 20584 OH2 TIP3 7019 64.604 68.767 -1.590 1.00 0.00 WT1 O ATOM 20585 H1 TIP3 7019 63.776 68.965 -1.152 1.00 0.00 WT1 H ATOM 20586 H2 TIP3 7019 64.384 68.747 -2.522 1.00 0.00 WT1 H ATOM 20587 OH2 TIP3 7020 53.604 27.769 -1.542 1.00 0.00 WT1 O ATOM 20588 H1 TIP3 7020 52.766 28.159 -1.792 1.00 0.00 WT1 H ATOM 20589 H2 TIP3 7020 53.806 28.158 -0.691 1.00 0.00 WT1 H ATOM 20590 OH2 TIP3 7021 38.084 82.406 -19.318 1.00 0.00 WT1 O ATOM 20591 H1 TIP3 7021 38.492 81.825 -18.675 1.00 0.00 WT1 H ATOM 20592 H2 TIP3 7021 37.690 81.816 -19.959 1.00 0.00 WT1 H ATOM 20593 OH2 TIP3 7023 51.887 4.377 30.414 1.00 0.00 WT1 O ATOM 20594 H1 TIP3 7023 52.335 5.171 30.123 1.00 0.00 WT1 H ATOM 20595 H2 TIP3 7023 50.962 4.543 30.233 1.00 0.00 WT1 H ATOM 20596 OH2 TIP3 7024 42.019 26.418 64.813 1.00 0.00 WT1 O ATOM 20597 H1 TIP3 7024 41.800 27.206 65.310 1.00 0.00 WT1 H ATOM 20598 H2 TIP3 7024 42.945 26.265 65.000 1.00 0.00 WT1 H ATOM 20599 OH2 TIP3 7025 26.750 95.330 34.258 1.00 0.00 WT1 O ATOM 20600 H1 TIP3 7025 27.484 95.266 34.869 1.00 0.00 WT1 H ATOM 20601 H2 TIP3 7025 26.211 96.041 34.605 1.00 0.00 WT1 H ATOM 20602 OH2 TIP3 7026 60.674 29.746 58.498 1.00 0.00 WT1 O ATOM 20603 H1 TIP3 7026 60.317 30.310 57.812 1.00 0.00 WT1 H ATOM 20604 H2 TIP3 7026 60.731 30.311 59.268 1.00 0.00 WT1 H ATOM 20605 OH2 TIP3 7027 81.741 89.532 53.012 1.00 0.00 WT1 O ATOM 20606 H1 TIP3 7027 82.053 90.336 53.428 1.00 0.00 WT1 H ATOM 20607 H2 TIP3 7027 81.996 88.835 53.617 1.00 0.00 WT1 H ATOM 20608 OH2 TIP3 7028 54.979 70.791 47.998 1.00 0.00 WT1 O ATOM 20609 H1 TIP3 7028 55.898 70.962 48.203 1.00 0.00 WT1 H ATOM 20610 H2 TIP3 7028 54.937 70.815 47.042 1.00 0.00 WT1 H ATOM 20611 OH2 TIP3 7029 55.464 73.499 47.109 1.00 0.00 WT1 O ATOM 20612 H1 TIP3 7029 55.899 74.287 47.436 1.00 0.00 WT1 H ATOM 20613 H2 TIP3 7029 55.115 73.074 47.893 1.00 0.00 WT1 H ATOM 20614 OH2 TIP3 7030 63.744 58.562 30.857 1.00 0.00 WT1 O ATOM 20615 H1 TIP3 7030 62.916 58.547 30.376 1.00 0.00 WT1 H ATOM 20616 H2 TIP3 7030 63.756 59.418 31.286 1.00 0.00 WT1 H ATOM 20617 OH2 TIP3 7031 70.761 71.653 55.700 1.00 0.00 WT1 O ATOM 20618 H1 TIP3 7031 69.883 71.290 55.813 1.00 0.00 WT1 H ATOM 20619 H2 TIP3 7031 70.732 72.090 54.848 1.00 0.00 WT1 H ATOM 20620 OH2 TIP3 7033 86.532 83.661 38.499 1.00 0.00 WT1 O ATOM 20621 H1 TIP3 7033 85.750 83.204 38.189 1.00 0.00 WT1 H ATOM 20622 H2 TIP3 7033 87.250 83.052 38.326 1.00 0.00 WT1 H ATOM 20623 OH2 TIP3 7034 50.003 71.575 26.856 1.00 0.00 WT1 O ATOM 20624 H1 TIP3 7034 50.956 71.615 26.770 1.00 0.00 WT1 H ATOM 20625 H2 TIP3 7034 49.769 70.709 26.522 1.00 0.00 WT1 H ATOM 20626 OH2 TIP3 7036 58.387 85.404 12.388 1.00 0.00 WT1 O ATOM 20627 H1 TIP3 7036 57.631 84.836 12.238 1.00 0.00 WT1 H ATOM 20628 H2 TIP3 7036 58.059 86.289 12.224 1.00 0.00 WT1 H ATOM 20629 OH2 TIP3 7037 33.955 50.734 54.072 1.00 0.00 WT1 O ATOM 20630 H1 TIP3 7037 34.225 51.483 54.604 1.00 0.00 WT1 H ATOM 20631 H2 TIP3 7037 33.668 50.079 54.708 1.00 0.00 WT1 H ATOM 20632 OH2 TIP3 7038 74.840 42.802 22.511 1.00 0.00 WT1 O ATOM 20633 H1 TIP3 7038 75.013 43.730 22.670 1.00 0.00 WT1 H ATOM 20634 H2 TIP3 7038 74.442 42.777 21.641 1.00 0.00 WT1 H ATOM 20635 OH2 TIP3 7039 26.655 86.615 28.705 1.00 0.00 WT1 O ATOM 20636 H1 TIP3 7039 26.463 86.850 29.613 1.00 0.00 WT1 H ATOM 20637 H2 TIP3 7039 27.597 86.442 28.697 1.00 0.00 WT1 H ATOM 20638 OH2 TIP3 7040 67.487 92.220 -11.340 1.00 0.00 WT1 O ATOM 20639 H1 TIP3 7040 67.227 91.606 -12.027 1.00 0.00 WT1 H ATOM 20640 H2 TIP3 7040 68.285 91.842 -10.970 1.00 0.00 WT1 H ATOM 20641 OH2 TIP3 7041 74.345 41.081 66.549 1.00 0.00 WT1 O ATOM 20642 H1 TIP3 7041 74.226 41.748 67.226 1.00 0.00 WT1 H ATOM 20643 H2 TIP3 7041 75.264 40.826 66.622 1.00 0.00 WT1 H ATOM 20644 OH2 TIP3 7042 34.143 89.430 48.038 1.00 0.00 WT1 O ATOM 20645 H1 TIP3 7042 34.525 90.053 47.419 1.00 0.00 WT1 H ATOM 20646 H2 TIP3 7042 33.418 89.029 47.558 1.00 0.00 WT1 H ATOM 20647 OH2 TIP3 7043 40.521 14.498 2.666 1.00 0.00 WT1 O ATOM 20648 H1 TIP3 7043 40.506 15.455 2.674 1.00 0.00 WT1 H ATOM 20649 H2 TIP3 7043 39.600 14.244 2.596 1.00 0.00 WT1 H ATOM 20650 OH2 TIP3 7044 50.673 52.263 -8.147 1.00 0.00 WT1 O ATOM 20651 H1 TIP3 7044 50.827 52.999 -7.554 1.00 0.00 WT1 H ATOM 20652 H2 TIP3 7044 49.759 52.023 -7.999 1.00 0.00 WT1 H ATOM 20653 OH2 TIP3 7045 63.216 48.977 49.078 1.00 0.00 WT1 O ATOM 20654 H1 TIP3 7045 63.880 48.478 48.602 1.00 0.00 WT1 H ATOM 20655 H2 TIP3 7045 62.809 49.530 48.411 1.00 0.00 WT1 H ATOM 20656 OH2 TIP3 7046 46.474 81.813 63.407 1.00 0.00 WT1 O ATOM 20657 H1 TIP3 7046 45.851 81.148 63.700 1.00 0.00 WT1 H ATOM 20658 H2 TIP3 7046 46.889 81.430 62.634 1.00 0.00 WT1 H ATOM 20659 OH2 TIP3 7047 54.227 85.108 31.534 1.00 0.00 WT1 O ATOM 20660 H1 TIP3 7047 53.305 85.172 31.285 1.00 0.00 WT1 H ATOM 20661 H2 TIP3 7047 54.316 84.228 31.901 1.00 0.00 WT1 H ATOM 20662 OH2 TIP3 7048 39.423 69.479 61.822 1.00 0.00 WT1 O ATOM 20663 H1 TIP3 7048 39.855 69.912 61.086 1.00 0.00 WT1 H ATOM 20664 H2 TIP3 7048 38.618 69.119 61.450 1.00 0.00 WT1 H ATOM 20665 OH2 TIP3 7049 70.491 77.386 -9.403 1.00 0.00 WT1 O ATOM 20666 H1 TIP3 7049 71.284 76.910 -9.153 1.00 0.00 WT1 H ATOM 20667 H2 TIP3 7049 70.143 77.724 -8.578 1.00 0.00 WT1 H ATOM 20668 OH2 TIP3 7050 88.553 2.670 4.655 1.00 0.00 WT1 O ATOM 20669 H1 TIP3 7050 88.216 2.249 5.446 1.00 0.00 WT1 H ATOM 20670 H2 TIP3 7050 87.785 3.077 4.254 1.00 0.00 WT1 H ATOM 20671 OH2 TIP3 7051 55.573 96.357 48.670 1.00 0.00 WT1 O ATOM 20672 H1 TIP3 7051 56.003 96.743 49.433 1.00 0.00 WT1 H ATOM 20673 H2 TIP3 7051 55.980 95.495 48.577 1.00 0.00 WT1 H ATOM 20674 OH2 TIP3 7053 47.065 39.060 65.055 1.00 0.00 WT1 O ATOM 20675 H1 TIP3 7053 48.004 38.896 65.143 1.00 0.00 WT1 H ATOM 20676 H2 TIP3 7053 46.979 40.011 65.122 1.00 0.00 WT1 H ATOM 20677 OH2 TIP3 7054 76.522 72.401 49.846 1.00 0.00 WT1 O ATOM 20678 H1 TIP3 7054 76.554 71.474 50.083 1.00 0.00 WT1 H ATOM 20679 H2 TIP3 7054 75.625 72.540 49.542 1.00 0.00 WT1 H ATOM 20680 OH2 TIP3 7055 42.223 40.068 9.232 1.00 0.00 WT1 O ATOM 20681 H1 TIP3 7055 41.559 40.742 9.376 1.00 0.00 WT1 H ATOM 20682 H2 TIP3 7055 42.879 40.228 9.911 1.00 0.00 WT1 H ATOM 20683 OH2 TIP3 7056 28.149 23.973 54.397 1.00 0.00 WT1 O ATOM 20684 H1 TIP3 7056 28.749 23.836 53.664 1.00 0.00 WT1 H ATOM 20685 H2 TIP3 7056 27.890 23.091 54.663 1.00 0.00 WT1 H ATOM 20686 OH2 TIP3 7057 47.989 79.217 20.319 1.00 0.00 WT1 O ATOM 20687 H1 TIP3 7057 48.338 78.362 20.573 1.00 0.00 WT1 H ATOM 20688 H2 TIP3 7057 48.668 79.840 20.579 1.00 0.00 WT1 H ATOM 20689 OH2 TIP3 7058 72.198 38.931 29.372 1.00 0.00 WT1 O ATOM 20690 H1 TIP3 7058 72.501 38.948 28.464 1.00 0.00 WT1 H ATOM 20691 H2 TIP3 7058 72.558 38.119 29.730 1.00 0.00 WT1 H ATOM 20692 OH2 TIP3 7059 86.174 82.060 -12.024 1.00 0.00 WT1 O ATOM 20693 H1 TIP3 7059 86.273 81.218 -11.578 1.00 0.00 WT1 H ATOM 20694 H2 TIP3 7059 86.095 82.698 -11.316 1.00 0.00 WT1 H ATOM 20695 OH2 TIP3 7060 79.586 70.639 31.837 1.00 0.00 WT1 O ATOM 20696 H1 TIP3 7060 79.474 69.823 31.349 1.00 0.00 WT1 H ATOM 20697 H2 TIP3 7060 78.706 71.010 31.891 1.00 0.00 WT1 H ATOM 20698 OH2 TIP3 7061 41.011 26.403 -5.195 1.00 0.00 WT1 O ATOM 20699 H1 TIP3 7061 40.834 26.688 -6.092 1.00 0.00 WT1 H ATOM 20700 H2 TIP3 7061 40.146 26.334 -4.790 1.00 0.00 WT1 H ATOM 20701 OH2 TIP3 7062 48.908 91.079 -7.672 1.00 0.00 WT1 O ATOM 20702 H1 TIP3 7062 49.188 91.202 -8.579 1.00 0.00 WT1 H ATOM 20703 H2 TIP3 7062 48.533 90.199 -7.654 1.00 0.00 WT1 H ATOM 20704 OH2 TIP3 7063 31.383 19.796 60.375 1.00 0.00 WT1 O ATOM 20705 H1 TIP3 7063 32.038 19.805 59.677 1.00 0.00 WT1 H ATOM 20706 H2 TIP3 7063 30.906 18.976 60.247 1.00 0.00 WT1 H ATOM 20707 OH2 TIP3 7064 70.316 28.312 27.690 1.00 0.00 WT1 O ATOM 20708 H1 TIP3 7064 70.705 28.772 26.946 1.00 0.00 WT1 H ATOM 20709 H2 TIP3 7064 69.390 28.226 27.462 1.00 0.00 WT1 H ATOM 20710 OH2 TIP3 7065 29.904 17.222 34.390 1.00 0.00 WT1 O ATOM 20711 H1 TIP3 7065 30.283 16.895 35.205 1.00 0.00 WT1 H ATOM 20712 H2 TIP3 7065 29.134 17.721 34.666 1.00 0.00 WT1 H ATOM 20713 OH2 TIP3 7066 68.460 66.211 52.028 1.00 0.00 WT1 O ATOM 20714 H1 TIP3 7066 67.770 66.076 52.678 1.00 0.00 WT1 H ATOM 20715 H2 TIP3 7066 68.545 65.365 51.589 1.00 0.00 WT1 H ATOM 20716 OH2 TIP3 7067 81.237 41.505 17.087 1.00 0.00 WT1 O ATOM 20717 H1 TIP3 7067 81.314 41.914 17.949 1.00 0.00 WT1 H ATOM 20718 H2 TIP3 7067 81.091 42.236 16.487 1.00 0.00 WT1 H ATOM 20719 OH2 TIP3 7068 66.148 49.068 25.313 1.00 0.00 WT1 O ATOM 20720 H1 TIP3 7068 65.887 49.856 24.836 1.00 0.00 WT1 H ATOM 20721 H2 TIP3 7068 65.322 48.665 25.580 1.00 0.00 WT1 H ATOM 20722 OH2 TIP3 7069 89.115 83.821 28.446 1.00 0.00 WT1 O ATOM 20723 H1 TIP3 7069 89.101 84.304 27.620 1.00 0.00 WT1 H ATOM 20724 H2 TIP3 7069 89.537 84.417 29.066 1.00 0.00 WT1 H ATOM 20725 OH2 TIP3 7071 90.426 26.255 -19.112 1.00 0.00 WT1 O ATOM 20726 H1 TIP3 7071 90.093 27.100 -18.811 1.00 0.00 WT1 H ATOM 20727 H2 TIP3 7071 91.331 26.431 -19.368 1.00 0.00 WT1 H ATOM 20728 OH2 TIP3 7072 36.268 52.526 -7.095 1.00 0.00 WT1 O ATOM 20729 H1 TIP3 7072 36.596 52.778 -6.231 1.00 0.00 WT1 H ATOM 20730 H2 TIP3 7072 35.324 52.672 -7.045 1.00 0.00 WT1 H ATOM 20731 OH2 TIP3 7073 61.498 96.792 -12.260 1.00 0.00 WT1 O ATOM 20732 H1 TIP3 7073 61.341 95.857 -12.388 1.00 0.00 WT1 H ATOM 20733 H2 TIP3 7073 62.132 97.024 -12.938 1.00 0.00 WT1 H ATOM 20734 OH2 TIP3 7074 73.602 43.438 9.290 1.00 0.00 WT1 O ATOM 20735 H1 TIP3 7074 72.780 43.908 9.429 1.00 0.00 WT1 H ATOM 20736 H2 TIP3 7074 74.029 43.910 8.575 1.00 0.00 WT1 H ATOM 20737 OH2 TIP3 7075 55.138 59.889 -9.818 1.00 0.00 WT1 O ATOM 20738 H1 TIP3 7075 54.833 60.575 -9.224 1.00 0.00 WT1 H ATOM 20739 H2 TIP3 7075 56.091 59.978 -9.819 1.00 0.00 WT1 H ATOM 20740 OH2 TIP3 7076 80.493 14.620 -15.983 1.00 0.00 WT1 O ATOM 20741 H1 TIP3 7076 79.893 14.023 -16.429 1.00 0.00 WT1 H ATOM 20742 H2 TIP3 7076 80.292 15.481 -16.349 1.00 0.00 WT1 H ATOM 20743 OH2 TIP3 7077 81.358 64.359 -18.976 1.00 0.00 WT1 O ATOM 20744 H1 TIP3 7077 81.901 63.613 -19.233 1.00 0.00 WT1 H ATOM 20745 H2 TIP3 7077 81.454 64.985 -19.693 1.00 0.00 WT1 H ATOM 20746 OH2 TIP3 7078 89.111 58.863 19.270 1.00 0.00 WT1 O ATOM 20747 H1 TIP3 7078 89.757 58.200 19.515 1.00 0.00 WT1 H ATOM 20748 H2 TIP3 7078 88.431 58.375 18.806 1.00 0.00 WT1 H ATOM 20749 OH2 TIP3 7079 87.507 13.872 -6.064 1.00 0.00 WT1 O ATOM 20750 H1 TIP3 7079 88.309 13.427 -5.789 1.00 0.00 WT1 H ATOM 20751 H2 TIP3 7079 87.388 14.571 -5.421 1.00 0.00 WT1 H ATOM 20752 OH2 TIP3 7080 77.822 51.110 16.025 1.00 0.00 WT1 O ATOM 20753 H1 TIP3 7080 77.274 50.370 16.288 1.00 0.00 WT1 H ATOM 20754 H2 TIP3 7080 78.558 51.093 16.636 1.00 0.00 WT1 H ATOM 20755 OH2 TIP3 7081 43.174 71.234 -8.982 1.00 0.00 WT1 O ATOM 20756 H1 TIP3 7081 42.497 71.441 -8.338 1.00 0.00 WT1 H ATOM 20757 H2 TIP3 7081 43.938 70.992 -8.459 1.00 0.00 WT1 H ATOM 20758 OH2 TIP3 7082 32.122 20.116 5.758 1.00 0.00 WT1 O ATOM 20759 H1 TIP3 7082 32.527 20.758 6.341 1.00 0.00 WT1 H ATOM 20760 H2 TIP3 7082 32.831 19.838 5.178 1.00 0.00 WT1 H ATOM 20761 OH2 TIP3 7083 63.651 6.105 14.531 1.00 0.00 WT1 O ATOM 20762 H1 TIP3 7083 63.821 6.717 13.815 1.00 0.00 WT1 H ATOM 20763 H2 TIP3 7083 63.234 5.353 14.110 1.00 0.00 WT1 H ATOM 20764 OH2 TIP3 7085 73.998 41.471 0.396 1.00 0.00 WT1 O ATOM 20765 H1 TIP3 7085 74.877 41.485 0.774 1.00 0.00 WT1 H ATOM 20766 H2 TIP3 7085 73.631 42.328 0.611 1.00 0.00 WT1 H ATOM 20767 OH2 TIP3 7086 25.263 49.977 8.493 1.00 0.00 WT1 O ATOM 20768 H1 TIP3 7086 25.303 50.845 8.893 1.00 0.00 WT1 H ATOM 20769 H2 TIP3 7086 25.552 50.116 7.591 1.00 0.00 WT1 H ATOM 20770 OH2 TIP3 7088 56.891 16.225 39.761 1.00 0.00 WT1 O ATOM 20771 H1 TIP3 7088 56.352 17.014 39.709 1.00 0.00 WT1 H ATOM 20772 H2 TIP3 7088 56.458 15.599 39.181 1.00 0.00 WT1 H ATOM 20773 OH2 TIP3 7089 62.892 31.024 2.030 1.00 0.00 WT1 O ATOM 20774 H1 TIP3 7089 62.328 30.380 2.458 1.00 0.00 WT1 H ATOM 20775 H2 TIP3 7089 62.833 31.801 2.584 1.00 0.00 WT1 H ATOM 20776 OH2 TIP3 7090 83.480 84.853 58.664 1.00 0.00 WT1 O ATOM 20777 H1 TIP3 7090 84.267 85.232 58.273 1.00 0.00 WT1 H ATOM 20778 H2 TIP3 7090 82.795 85.502 58.503 1.00 0.00 WT1 H ATOM 20779 OH2 TIP3 7091 59.525 12.944 32.347 1.00 0.00 WT1 O ATOM 20780 H1 TIP3 7091 60.187 12.487 31.829 1.00 0.00 WT1 H ATOM 20781 H2 TIP3 7091 58.915 13.296 31.699 1.00 0.00 WT1 H ATOM 20782 OH2 TIP3 7092 69.652 50.005 29.135 1.00 0.00 WT1 O ATOM 20783 H1 TIP3 7092 69.074 50.408 29.782 1.00 0.00 WT1 H ATOM 20784 H2 TIP3 7092 69.107 49.908 28.354 1.00 0.00 WT1 H ATOM 20785 OH2 TIP3 7093 59.599 89.688 11.429 1.00 0.00 WT1 O ATOM 20786 H1 TIP3 7093 60.412 89.685 11.935 1.00 0.00 WT1 H ATOM 20787 H2 TIP3 7093 59.007 90.251 11.929 1.00 0.00 WT1 H ATOM 20788 OH2 TIP3 7094 22.654 11.518 37.745 1.00 0.00 WT1 O ATOM 20789 H1 TIP3 7094 23.448 12.039 37.621 1.00 0.00 WT1 H ATOM 20790 H2 TIP3 7094 22.580 11.000 36.943 1.00 0.00 WT1 H ATOM 20791 OH2 TIP3 7095 45.258 1.888 65.489 1.00 0.00 WT1 O ATOM 20792 H1 TIP3 7095 44.517 1.312 65.676 1.00 0.00 WT1 H ATOM 20793 H2 TIP3 7095 45.980 1.523 66.001 1.00 0.00 WT1 H ATOM 20794 OH2 TIP3 7096 65.753 77.530 5.599 1.00 0.00 WT1 O ATOM 20795 H1 TIP3 7096 65.011 76.996 5.317 1.00 0.00 WT1 H ATOM 20796 H2 TIP3 7096 65.916 77.256 6.502 1.00 0.00 WT1 H ATOM 20797 OH2 TIP3 7097 78.382 38.502 62.125 1.00 0.00 WT1 O ATOM 20798 H1 TIP3 7097 79.326 38.426 62.266 1.00 0.00 WT1 H ATOM 20799 H2 TIP3 7097 78.254 38.234 61.215 1.00 0.00 WT1 H ATOM 20800 OH2 TIP3 7098 46.241 41.821 47.118 1.00 0.00 WT1 O ATOM 20801 H1 TIP3 7098 46.501 41.437 47.955 1.00 0.00 WT1 H ATOM 20802 H2 TIP3 7098 47.058 41.901 46.626 1.00 0.00 WT1 H ATOM 20803 OH2 TIP3 7099 46.615 2.195 -17.408 1.00 0.00 WT1 O ATOM 20804 H1 TIP3 7099 46.924 1.436 -16.913 1.00 0.00 WT1 H ATOM 20805 H2 TIP3 7099 47.202 2.905 -17.149 1.00 0.00 WT1 H ATOM 20806 OH2 TIP3 7101 57.957 76.236 -6.748 1.00 0.00 WT1 O ATOM 20807 H1 TIP3 7101 58.432 75.613 -7.299 1.00 0.00 WT1 H ATOM 20808 H2 TIP3 7101 58.574 76.954 -6.611 1.00 0.00 WT1 H ATOM 20809 OH2 TIP3 7102 64.074 18.895 14.917 1.00 0.00 WT1 O ATOM 20810 H1 TIP3 7102 63.588 19.220 15.675 1.00 0.00 WT1 H ATOM 20811 H2 TIP3 7102 63.491 19.049 14.174 1.00 0.00 WT1 H ATOM 20812 OH2 TIP3 7103 65.399 91.257 54.263 1.00 0.00 WT1 O ATOM 20813 H1 TIP3 7103 65.883 90.444 54.115 1.00 0.00 WT1 H ATOM 20814 H2 TIP3 7103 65.791 91.629 55.053 1.00 0.00 WT1 H ATOM 20815 OH2 TIP3 7104 86.909 94.546 1.649 1.00 0.00 WT1 O ATOM 20816 H1 TIP3 7104 86.434 94.383 0.834 1.00 0.00 WT1 H ATOM 20817 H2 TIP3 7104 86.662 93.819 2.220 1.00 0.00 WT1 H ATOM 20818 OH2 TIP3 7105 62.451 21.556 26.893 1.00 0.00 WT1 O ATOM 20819 H1 TIP3 7105 62.468 22.289 27.508 1.00 0.00 WT1 H ATOM 20820 H2 TIP3 7105 62.008 20.853 27.369 1.00 0.00 WT1 H ATOM 20821 OH2 TIP3 7106 83.523 27.570 -10.022 1.00 0.00 WT1 O ATOM 20822 H1 TIP3 7106 84.162 26.884 -9.830 1.00 0.00 WT1 H ATOM 20823 H2 TIP3 7106 84.050 28.321 -10.295 1.00 0.00 WT1 H ATOM 20824 OH2 TIP3 7107 86.637 89.985 -3.780 1.00 0.00 WT1 O ATOM 20825 H1 TIP3 7107 87.458 90.242 -4.199 1.00 0.00 WT1 H ATOM 20826 H2 TIP3 7107 86.059 89.750 -4.506 1.00 0.00 WT1 H ATOM 20827 OH2 TIP3 7108 90.581 89.382 -14.413 1.00 0.00 WT1 O ATOM 20828 H1 TIP3 7108 91.353 89.628 -13.904 1.00 0.00 WT1 H ATOM 20829 H2 TIP3 7108 89.918 90.028 -14.171 1.00 0.00 WT1 H ATOM 20830 OH2 TIP3 7109 46.092 0.400 6.418 1.00 0.00 WT1 O ATOM 20831 H1 TIP3 7109 46.697 -0.145 6.921 1.00 0.00 WT1 H ATOM 20832 H2 TIP3 7109 46.012 1.205 6.929 1.00 0.00 WT1 H ATOM 20833 OH2 TIP3 7110 69.838 82.112 35.673 1.00 0.00 WT1 O ATOM 20834 H1 TIP3 7110 69.742 82.241 34.729 1.00 0.00 WT1 H ATOM 20835 H2 TIP3 7110 69.218 82.727 36.064 1.00 0.00 WT1 H ATOM 20836 OH2 TIP3 7111 52.907 5.735 61.424 1.00 0.00 WT1 O ATOM 20837 H1 TIP3 7111 52.517 6.100 62.218 1.00 0.00 WT1 H ATOM 20838 H2 TIP3 7111 53.828 5.991 61.468 1.00 0.00 WT1 H ATOM 20839 OH2 TIP3 7113 26.563 3.452 65.131 1.00 0.00 WT1 O ATOM 20840 H1 TIP3 7113 25.762 3.857 64.797 1.00 0.00 WT1 H ATOM 20841 H2 TIP3 7113 27.265 3.848 64.615 1.00 0.00 WT1 H ATOM 20842 OH2 TIP3 7114 81.231 67.286 -17.306 1.00 0.00 WT1 O ATOM 20843 H1 TIP3 7114 80.981 67.357 -18.227 1.00 0.00 WT1 H ATOM 20844 H2 TIP3 7114 82.142 66.994 -17.327 1.00 0.00 WT1 H ATOM 20845 OH2 TIP3 7115 89.879 33.965 66.921 1.00 0.00 WT1 O ATOM 20846 H1 TIP3 7115 90.385 34.232 67.689 1.00 0.00 WT1 H ATOM 20847 H2 TIP3 7115 90.192 34.534 66.218 1.00 0.00 WT1 H ATOM 20848 OH2 TIP3 7116 90.297 86.362 40.426 1.00 0.00 WT1 O ATOM 20849 H1 TIP3 7116 89.714 86.374 41.185 1.00 0.00 WT1 H ATOM 20850 H2 TIP3 7116 89.727 86.553 39.681 1.00 0.00 WT1 H ATOM 20851 OH2 TIP3 7117 39.362 11.699 55.922 1.00 0.00 WT1 O ATOM 20852 H1 TIP3 7117 38.879 12.491 55.687 1.00 0.00 WT1 H ATOM 20853 H2 TIP3 7117 39.982 11.986 56.592 1.00 0.00 WT1 H ATOM 20854 OH2 TIP3 7118 33.591 82.281 17.284 1.00 0.00 WT1 O ATOM 20855 H1 TIP3 7118 33.026 81.547 17.526 1.00 0.00 WT1 H ATOM 20856 H2 TIP3 7118 33.723 82.182 16.341 1.00 0.00 WT1 H ATOM 20857 OH2 TIP3 7119 59.683 24.601 39.232 1.00 0.00 WT1 O ATOM 20858 H1 TIP3 7119 60.324 24.587 38.522 1.00 0.00 WT1 H ATOM 20859 H2 TIP3 7119 59.397 25.513 39.279 1.00 0.00 WT1 H ATOM 20860 OH2 TIP3 7120 23.338 51.350 -13.576 1.00 0.00 WT1 O ATOM 20861 H1 TIP3 7120 22.729 50.704 -13.932 1.00 0.00 WT1 H ATOM 20862 H2 TIP3 7120 23.378 51.152 -12.640 1.00 0.00 WT1 H ATOM 20863 OH2 TIP3 7121 67.962 18.822 24.738 1.00 0.00 WT1 O ATOM 20864 H1 TIP3 7121 67.492 19.208 23.999 1.00 0.00 WT1 H ATOM 20865 H2 TIP3 7121 68.885 18.872 24.488 1.00 0.00 WT1 H ATOM 20866 OH2 TIP3 7122 48.490 39.512 47.582 1.00 0.00 WT1 O ATOM 20867 H1 TIP3 7122 48.088 39.604 48.446 1.00 0.00 WT1 H ATOM 20868 H2 TIP3 7122 49.293 40.031 47.634 1.00 0.00 WT1 H ATOM 20869 OH2 TIP3 7123 48.938 12.864 12.610 1.00 0.00 WT1 O ATOM 20870 H1 TIP3 7123 47.981 12.860 12.590 1.00 0.00 WT1 H ATOM 20871 H2 TIP3 7123 49.158 13.085 13.515 1.00 0.00 WT1 H ATOM 20872 OH2 TIP3 7124 41.512 11.049 -2.520 1.00 0.00 WT1 O ATOM 20873 H1 TIP3 7124 41.022 11.847 -2.718 1.00 0.00 WT1 H ATOM 20874 H2 TIP3 7124 41.061 10.362 -3.009 1.00 0.00 WT1 H ATOM 20875 OH2 TIP3 7125 51.766 10.338 21.572 1.00 0.00 WT1 O ATOM 20876 H1 TIP3 7125 52.014 9.904 20.755 1.00 0.00 WT1 H ATOM 20877 H2 TIP3 7125 50.812 10.269 21.600 1.00 0.00 WT1 H ATOM 20878 OH2 TIP3 7126 41.328 18.270 36.399 1.00 0.00 WT1 O ATOM 20879 H1 TIP3 7126 42.152 18.123 35.935 1.00 0.00 WT1 H ATOM 20880 H2 TIP3 7126 40.706 18.515 35.714 1.00 0.00 WT1 H ATOM 20881 OH2 TIP3 7127 29.244 51.963 -15.884 1.00 0.00 WT1 O ATOM 20882 H1 TIP3 7127 29.891 51.516 -15.338 1.00 0.00 WT1 H ATOM 20883 H2 TIP3 7127 29.761 52.548 -16.438 1.00 0.00 WT1 H ATOM 20884 OH2 TIP3 7128 26.292 82.969 28.057 1.00 0.00 WT1 O ATOM 20885 H1 TIP3 7128 26.743 83.235 28.858 1.00 0.00 WT1 H ATOM 20886 H2 TIP3 7128 26.452 83.685 27.442 1.00 0.00 WT1 H ATOM 20887 OH2 TIP3 7129 55.932 3.867 60.172 1.00 0.00 WT1 O ATOM 20888 H1 TIP3 7129 55.803 4.701 60.624 1.00 0.00 WT1 H ATOM 20889 H2 TIP3 7129 56.732 3.508 60.555 1.00 0.00 WT1 H ATOM 20890 OH2 TIP3 7130 66.621 54.382 9.753 1.00 0.00 WT1 O ATOM 20891 H1 TIP3 7130 66.487 55.070 10.405 1.00 0.00 WT1 H ATOM 20892 H2 TIP3 7130 65.861 53.808 9.851 1.00 0.00 WT1 H ATOM 20893 OH2 TIP3 7131 46.000 79.928 21.852 1.00 0.00 WT1 O ATOM 20894 H1 TIP3 7131 46.535 79.742 21.081 1.00 0.00 WT1 H ATOM 20895 H2 TIP3 7131 46.229 79.238 22.475 1.00 0.00 WT1 H ATOM 20896 OH2 TIP3 7132 80.613 38.149 4.722 1.00 0.00 WT1 O ATOM 20897 H1 TIP3 7132 80.665 38.871 5.349 1.00 0.00 WT1 H ATOM 20898 H2 TIP3 7132 81.524 37.959 4.498 1.00 0.00 WT1 H ATOM 20899 OH2 TIP3 7133 74.745 6.212 37.752 1.00 0.00 WT1 O ATOM 20900 H1 TIP3 7133 75.316 5.952 37.030 1.00 0.00 WT1 H ATOM 20901 H2 TIP3 7133 75.040 5.685 38.495 1.00 0.00 WT1 H ATOM 20902 OH2 TIP3 7134 22.063 74.470 63.758 1.00 0.00 WT1 O ATOM 20903 H1 TIP3 7134 21.424 75.123 64.045 1.00 0.00 WT1 H ATOM 20904 H2 TIP3 7134 22.794 74.984 63.415 1.00 0.00 WT1 H ATOM 20905 OH2 TIP3 7135 66.334 45.974 -19.470 1.00 0.00 WT1 O ATOM 20906 H1 TIP3 7135 65.512 46.340 -19.797 1.00 0.00 WT1 H ATOM 20907 H2 TIP3 7135 66.066 45.243 -18.912 1.00 0.00 WT1 H ATOM 20908 OH2 TIP3 7136 76.255 84.701 33.227 1.00 0.00 WT1 O ATOM 20909 H1 TIP3 7136 75.995 84.721 34.148 1.00 0.00 WT1 H ATOM 20910 H2 TIP3 7136 77.151 85.035 33.223 1.00 0.00 WT1 H ATOM 20911 OH2 TIP3 7137 64.316 13.187 65.566 1.00 0.00 WT1 O ATOM 20912 H1 TIP3 7137 63.376 13.090 65.418 1.00 0.00 WT1 H ATOM 20913 H2 TIP3 7137 64.704 13.134 64.693 1.00 0.00 WT1 H ATOM 20914 OH2 TIP3 7138 20.610 71.538 -9.906 1.00 0.00 WT1 O ATOM 20915 H1 TIP3 7138 21.449 71.155 -9.650 1.00 0.00 WT1 H ATOM 20916 H2 TIP3 7138 20.428 72.190 -9.230 1.00 0.00 WT1 H ATOM 20917 OH2 TIP3 7139 38.409 73.282 25.081 1.00 0.00 WT1 O ATOM 20918 H1 TIP3 7139 38.940 73.734 25.737 1.00 0.00 WT1 H ATOM 20919 H2 TIP3 7139 39.020 72.687 24.647 1.00 0.00 WT1 H ATOM 20920 OH2 TIP3 7140 80.834 92.375 31.803 1.00 0.00 WT1 O ATOM 20921 H1 TIP3 7140 81.071 92.094 32.686 1.00 0.00 WT1 H ATOM 20922 H2 TIP3 7140 81.563 92.086 31.255 1.00 0.00 WT1 H ATOM 20923 OH2 TIP3 7141 48.818 37.370 53.341 1.00 0.00 WT1 O ATOM 20924 H1 TIP3 7141 47.905 37.612 53.187 1.00 0.00 WT1 H ATOM 20925 H2 TIP3 7141 49.090 37.915 54.080 1.00 0.00 WT1 H ATOM 20926 OH2 TIP3 7142 23.712 79.053 57.996 1.00 0.00 WT1 O ATOM 20927 H1 TIP3 7142 22.847 78.799 58.317 1.00 0.00 WT1 H ATOM 20928 H2 TIP3 7142 23.759 78.682 57.115 1.00 0.00 WT1 H ATOM 20929 OH2 TIP3 7143 31.512 2.631 58.065 1.00 0.00 WT1 O ATOM 20930 H1 TIP3 7143 31.483 1.740 58.414 1.00 0.00 WT1 H ATOM 20931 H2 TIP3 7143 30.954 2.604 57.288 1.00 0.00 WT1 H ATOM 20932 OH2 TIP3 7144 89.373 4.936 8.370 1.00 0.00 WT1 O ATOM 20933 H1 TIP3 7144 89.534 5.816 8.030 1.00 0.00 WT1 H ATOM 20934 H2 TIP3 7144 89.418 5.033 9.321 1.00 0.00 WT1 H ATOM 20935 OH2 TIP3 7145 72.360 73.402 64.426 1.00 0.00 WT1 O ATOM 20936 H1 TIP3 7145 71.598 72.968 64.811 1.00 0.00 WT1 H ATOM 20937 H2 TIP3 7145 72.013 74.216 64.061 1.00 0.00 WT1 H ATOM 20938 OH2 TIP3 7146 56.340 72.221 33.780 1.00 0.00 WT1 O ATOM 20939 H1 TIP3 7146 55.498 72.541 34.103 1.00 0.00 WT1 H ATOM 20940 H2 TIP3 7146 56.298 71.272 33.898 1.00 0.00 WT1 H ATOM 20941 OH2 TIP3 7147 71.101 47.275 -8.472 1.00 0.00 WT1 O ATOM 20942 H1 TIP3 7147 71.497 47.088 -7.621 1.00 0.00 WT1 H ATOM 20943 H2 TIP3 7147 70.359 46.673 -8.529 1.00 0.00 WT1 H ATOM 20944 OH2 TIP3 7148 38.973 45.850 66.273 1.00 0.00 WT1 O ATOM 20945 H1 TIP3 7148 39.721 45.296 66.499 1.00 0.00 WT1 H ATOM 20946 H2 TIP3 7148 39.221 46.261 65.445 1.00 0.00 WT1 H ATOM 20947 OH2 TIP3 7149 42.200 64.273 61.218 1.00 0.00 WT1 O ATOM 20948 H1 TIP3 7149 42.970 64.676 61.619 1.00 0.00 WT1 H ATOM 20949 H2 TIP3 7149 42.534 63.479 60.801 1.00 0.00 WT1 H ATOM 20950 OH2 TIP3 7150 67.506 13.154 24.473 1.00 0.00 WT1 O ATOM 20951 H1 TIP3 7150 67.943 12.608 25.127 1.00 0.00 WT1 H ATOM 20952 H2 TIP3 7150 67.697 14.052 24.744 1.00 0.00 WT1 H ATOM 20953 OH2 TIP3 7151 79.291 13.168 37.505 1.00 0.00 WT1 O ATOM 20954 H1 TIP3 7151 79.534 12.718 36.696 1.00 0.00 WT1 H ATOM 20955 H2 TIP3 7151 78.747 13.902 37.218 1.00 0.00 WT1 H ATOM 20956 OH2 TIP3 7152 77.785 41.558 -13.134 1.00 0.00 WT1 O ATOM 20957 H1 TIP3 7152 77.930 40.692 -12.754 1.00 0.00 WT1 H ATOM 20958 H2 TIP3 7152 77.074 41.933 -12.615 1.00 0.00 WT1 H ATOM 20959 OH2 TIP3 7153 62.893 41.676 51.373 1.00 0.00 WT1 O ATOM 20960 H1 TIP3 7153 63.602 42.220 51.716 1.00 0.00 WT1 H ATOM 20961 H2 TIP3 7153 62.171 42.288 51.226 1.00 0.00 WT1 H ATOM 20962 OH2 TIP3 7154 62.793 11.999 61.435 1.00 0.00 WT1 O ATOM 20963 H1 TIP3 7154 62.341 12.758 61.803 1.00 0.00 WT1 H ATOM 20964 H2 TIP3 7154 63.296 11.642 62.167 1.00 0.00 WT1 H ATOM 20965 OH2 TIP3 7155 87.814 17.169 37.185 1.00 0.00 WT1 O ATOM 20966 H1 TIP3 7155 87.995 18.000 37.625 1.00 0.00 WT1 H ATOM 20967 H2 TIP3 7155 87.137 17.380 36.543 1.00 0.00 WT1 H ATOM 20968 OH2 TIP3 7156 39.364 24.542 21.176 1.00 0.00 WT1 O ATOM 20969 H1 TIP3 7156 38.410 24.482 21.125 1.00 0.00 WT1 H ATOM 20970 H2 TIP3 7156 39.673 24.133 20.367 1.00 0.00 WT1 H ATOM 20971 OH2 TIP3 7157 79.351 29.614 -10.121 1.00 0.00 WT1 O ATOM 20972 H1 TIP3 7157 79.041 30.439 -9.747 1.00 0.00 WT1 H ATOM 20973 H2 TIP3 7157 79.363 29.006 -9.382 1.00 0.00 WT1 H ATOM 20974 OH2 TIP3 7158 70.678 37.612 50.248 1.00 0.00 WT1 O ATOM 20975 H1 TIP3 7158 71.415 37.087 50.560 1.00 0.00 WT1 H ATOM 20976 H2 TIP3 7158 69.995 36.971 50.047 1.00 0.00 WT1 H ATOM 20977 OH2 TIP3 7159 26.285 12.245 56.968 1.00 0.00 WT1 O ATOM 20978 H1 TIP3 7159 25.851 12.997 56.565 1.00 0.00 WT1 H ATOM 20979 H2 TIP3 7159 26.871 11.913 56.288 1.00 0.00 WT1 H ATOM 20980 OH2 TIP3 7160 69.930 43.682 -9.948 1.00 0.00 WT1 O ATOM 20981 H1 TIP3 7160 69.515 42.819 -9.963 1.00 0.00 WT1 H ATOM 20982 H2 TIP3 7160 70.115 43.843 -9.023 1.00 0.00 WT1 H ATOM 20983 OH2 TIP3 7161 84.043 37.714 15.365 1.00 0.00 WT1 O ATOM 20984 H1 TIP3 7161 84.637 37.214 15.925 1.00 0.00 WT1 H ATOM 20985 H2 TIP3 7161 83.323 37.965 15.944 1.00 0.00 WT1 H ATOM 20986 OH2 TIP3 7162 64.845 34.669 29.850 1.00 0.00 WT1 O ATOM 20987 H1 TIP3 7162 65.494 35.135 29.322 1.00 0.00 WT1 H ATOM 20988 H2 TIP3 7162 64.330 34.173 29.215 1.00 0.00 WT1 H ATOM 20989 OH2 TIP3 7163 58.812 30.519 37.582 1.00 0.00 WT1 O ATOM 20990 H1 TIP3 7163 58.696 29.674 37.146 1.00 0.00 WT1 H ATOM 20991 H2 TIP3 7163 59.721 30.512 37.881 1.00 0.00 WT1 H ATOM 20992 OH2 TIP3 7164 39.886 34.511 39.909 1.00 0.00 WT1 O ATOM 20993 H1 TIP3 7164 39.929 35.466 39.862 1.00 0.00 WT1 H ATOM 20994 H2 TIP3 7164 38.950 34.314 39.942 1.00 0.00 WT1 H ATOM 20995 OH2 TIP3 7165 74.567 33.730 31.736 1.00 0.00 WT1 O ATOM 20996 H1 TIP3 7165 75.014 34.053 32.518 1.00 0.00 WT1 H ATOM 20997 H2 TIP3 7165 75.220 33.800 31.040 1.00 0.00 WT1 H ATOM 20998 OH2 TIP3 7166 67.373 44.934 -1.168 1.00 0.00 WT1 O ATOM 20999 H1 TIP3 7166 67.507 45.290 -0.290 1.00 0.00 WT1 H ATOM 21000 H2 TIP3 7166 68.015 45.388 -1.713 1.00 0.00 WT1 H ATOM 21001 OH2 TIP3 7167 45.802 6.369 57.139 1.00 0.00 WT1 O ATOM 21002 H1 TIP3 7167 45.794 5.966 58.007 1.00 0.00 WT1 H ATOM 21003 H2 TIP3 7167 45.819 5.630 56.532 1.00 0.00 WT1 H ATOM 21004 OH2 TIP3 7168 21.412 64.757 26.777 1.00 0.00 WT1 O ATOM 21005 H1 TIP3 7168 21.106 63.866 26.608 1.00 0.00 WT1 H ATOM 21006 H2 TIP3 7168 20.919 65.037 27.548 1.00 0.00 WT1 H ATOM 21007 OH2 TIP3 7169 50.427 28.077 -13.950 1.00 0.00 WT1 O ATOM 21008 H1 TIP3 7169 49.520 28.380 -13.977 1.00 0.00 WT1 H ATOM 21009 H2 TIP3 7169 50.370 27.181 -13.617 1.00 0.00 WT1 H ATOM 21010 OH2 TIP3 7170 70.506 26.533 -5.504 1.00 0.00 WT1 O ATOM 21011 H1 TIP3 7170 70.042 27.278 -5.886 1.00 0.00 WT1 H ATOM 21012 H2 TIP3 7170 70.409 25.833 -6.150 1.00 0.00 WT1 H ATOM 21013 OH2 TIP3 7171 25.646 82.876 60.478 1.00 0.00 WT1 O ATOM 21014 H1 TIP3 7171 26.486 83.303 60.307 1.00 0.00 WT1 H ATOM 21015 H2 TIP3 7171 25.443 82.414 59.664 1.00 0.00 WT1 H ATOM 21016 OH2 TIP3 7172 23.029 21.614 38.102 1.00 0.00 WT1 O ATOM 21017 H1 TIP3 7172 23.274 20.987 38.783 1.00 0.00 WT1 H ATOM 21018 H2 TIP3 7172 22.683 21.073 37.391 1.00 0.00 WT1 H ATOM 21019 OH2 TIP3 7173 88.569 74.991 59.456 1.00 0.00 WT1 O ATOM 21020 H1 TIP3 7173 89.344 74.912 60.012 1.00 0.00 WT1 H ATOM 21021 H2 TIP3 7173 87.851 75.155 60.067 1.00 0.00 WT1 H ATOM 21022 OH2 TIP3 7174 24.339 25.199 32.003 1.00 0.00 WT1 O ATOM 21023 H1 TIP3 7174 24.179 24.279 31.793 1.00 0.00 WT1 H ATOM 21024 H2 TIP3 7174 24.862 25.525 31.270 1.00 0.00 WT1 H ATOM 21025 OH2 TIP3 7175 36.149 89.820 10.527 1.00 0.00 WT1 O ATOM 21026 H1 TIP3 7175 36.163 89.226 11.278 1.00 0.00 WT1 H ATOM 21027 H2 TIP3 7175 35.932 90.674 10.900 1.00 0.00 WT1 H ATOM 21028 OH2 TIP3 7176 40.682 11.752 61.478 1.00 0.00 WT1 O ATOM 21029 H1 TIP3 7176 41.425 12.336 61.629 1.00 0.00 WT1 H ATOM 21030 H2 TIP3 7176 39.942 12.193 61.895 1.00 0.00 WT1 H ATOM 21031 OH2 TIP3 7177 48.806 75.909 60.148 1.00 0.00 WT1 O ATOM 21032 H1 TIP3 7177 49.227 76.701 59.814 1.00 0.00 WT1 H ATOM 21033 H2 TIP3 7177 48.761 75.324 59.392 1.00 0.00 WT1 H ATOM 21034 OH2 TIP3 7178 82.469 89.779 23.500 1.00 0.00 WT1 O ATOM 21035 H1 TIP3 7178 82.907 90.329 24.149 1.00 0.00 WT1 H ATOM 21036 H2 TIP3 7178 82.031 89.102 24.016 1.00 0.00 WT1 H ATOM 21037 OH2 TIP3 7179 46.498 93.616 17.300 1.00 0.00 WT1 O ATOM 21038 H1 TIP3 7179 46.256 93.242 16.453 1.00 0.00 WT1 H ATOM 21039 H2 TIP3 7179 45.675 93.946 17.661 1.00 0.00 WT1 H ATOM 21040 OH2 TIP3 7180 46.832 1.118 55.608 1.00 0.00 WT1 O ATOM 21041 H1 TIP3 7180 46.580 0.714 56.438 1.00 0.00 WT1 H ATOM 21042 H2 TIP3 7180 46.625 0.457 54.947 1.00 0.00 WT1 H ATOM 21043 OH2 TIP3 7181 71.152 2.502 59.915 1.00 0.00 WT1 O ATOM 21044 H1 TIP3 7181 70.707 1.656 59.869 1.00 0.00 WT1 H ATOM 21045 H2 TIP3 7181 70.468 3.120 60.175 1.00 0.00 WT1 H ATOM 21046 OH2 TIP3 7182 34.965 11.367 30.149 1.00 0.00 WT1 O ATOM 21047 H1 TIP3 7182 34.504 11.886 29.490 1.00 0.00 WT1 H ATOM 21048 H2 TIP3 7182 34.781 11.811 30.977 1.00 0.00 WT1 H ATOM 21049 OH2 TIP3 7183 35.083 30.545 32.606 1.00 0.00 WT1 O ATOM 21050 H1 TIP3 7183 35.585 31.319 32.862 1.00 0.00 WT1 H ATOM 21051 H2 TIP3 7183 35.509 29.820 33.064 1.00 0.00 WT1 H ATOM 21052 OH2 TIP3 7184 37.195 19.744 28.690 1.00 0.00 WT1 O ATOM 21053 H1 TIP3 7184 36.253 19.610 28.797 1.00 0.00 WT1 H ATOM 21054 H2 TIP3 7184 37.335 20.661 28.927 1.00 0.00 WT1 H ATOM 21055 OH2 TIP3 7185 55.350 11.828 13.630 1.00 0.00 WT1 O ATOM 21056 H1 TIP3 7185 55.847 11.995 14.431 1.00 0.00 WT1 H ATOM 21057 H2 TIP3 7185 55.955 12.048 12.922 1.00 0.00 WT1 H ATOM 21058 OH2 TIP3 7186 81.381 26.798 -16.761 1.00 0.00 WT1 O ATOM 21059 H1 TIP3 7186 82.244 27.016 -17.113 1.00 0.00 WT1 H ATOM 21060 H2 TIP3 7186 81.251 27.417 -16.043 1.00 0.00 WT1 H ATOM 21061 OH2 TIP3 7187 60.489 47.261 31.364 1.00 0.00 WT1 O ATOM 21062 H1 TIP3 7187 60.359 48.208 31.310 1.00 0.00 WT1 H ATOM 21063 H2 TIP3 7187 60.814 47.013 30.499 1.00 0.00 WT1 H ATOM 21064 OH2 TIP3 7188 63.473 47.849 25.716 1.00 0.00 WT1 O ATOM 21065 H1 TIP3 7188 62.837 48.561 25.786 1.00 0.00 WT1 H ATOM 21066 H2 TIP3 7188 63.461 47.607 24.790 1.00 0.00 WT1 H ATOM 21067 OH2 TIP3 7189 74.963 18.461 58.227 1.00 0.00 WT1 O ATOM 21068 H1 TIP3 7189 75.394 19.056 57.614 1.00 0.00 WT1 H ATOM 21069 H2 TIP3 7189 74.266 18.986 58.620 1.00 0.00 WT1 H ATOM 21070 OH2 TIP3 7190 66.445 6.962 1.338 1.00 0.00 WT1 O ATOM 21071 H1 TIP3 7190 65.546 6.644 1.258 1.00 0.00 WT1 H ATOM 21072 H2 TIP3 7190 66.581 7.064 2.280 1.00 0.00 WT1 H ATOM 21073 OH2 TIP3 7191 88.667 33.776 0.485 1.00 0.00 WT1 O ATOM 21074 H1 TIP3 7191 88.763 33.177 -0.256 1.00 0.00 WT1 H ATOM 21075 H2 TIP3 7191 88.343 33.225 1.197 1.00 0.00 WT1 H ATOM 21076 OH2 TIP3 7192 58.031 86.735 31.344 1.00 0.00 WT1 O ATOM 21077 H1 TIP3 7192 58.189 86.791 32.286 1.00 0.00 WT1 H ATOM 21078 H2 TIP3 7192 57.108 86.965 31.241 1.00 0.00 WT1 H ATOM 21079 OH2 TIP3 7193 31.578 42.284 21.140 1.00 0.00 WT1 O ATOM 21080 H1 TIP3 7193 31.123 43.093 20.908 1.00 0.00 WT1 H ATOM 21081 H2 TIP3 7193 30.879 41.669 21.358 1.00 0.00 WT1 H ATOM 21082 OH2 TIP3 7194 41.812 13.104 42.639 1.00 0.00 WT1 O ATOM 21083 H1 TIP3 7194 41.193 12.708 42.026 1.00 0.00 WT1 H ATOM 21084 H2 TIP3 7194 41.965 12.426 43.297 1.00 0.00 WT1 H ATOM 21085 OH2 TIP3 7195 82.720 81.596 25.061 1.00 0.00 WT1 O ATOM 21086 H1 TIP3 7195 81.993 81.304 24.511 1.00 0.00 WT1 H ATOM 21087 H2 TIP3 7195 82.304 82.084 25.771 1.00 0.00 WT1 H ATOM 21088 OH2 TIP3 7196 42.818 59.031 11.468 1.00 0.00 WT1 O ATOM 21089 H1 TIP3 7196 43.598 59.572 11.590 1.00 0.00 WT1 H ATOM 21090 H2 TIP3 7196 42.553 58.788 12.355 1.00 0.00 WT1 H ATOM 21091 OH2 TIP3 7197 89.317 39.951 57.707 1.00 0.00 WT1 O ATOM 21092 H1 TIP3 7197 90.131 40.103 58.186 1.00 0.00 WT1 H ATOM 21093 H2 TIP3 7197 89.006 39.103 58.026 1.00 0.00 WT1 H ATOM 21094 OH2 TIP3 7198 30.443 46.249 3.391 1.00 0.00 WT1 O ATOM 21095 H1 TIP3 7198 30.191 45.353 3.615 1.00 0.00 WT1 H ATOM 21096 H2 TIP3 7198 29.999 46.422 2.561 1.00 0.00 WT1 H ATOM 21097 OH2 TIP3 7199 23.868 4.137 -5.519 1.00 0.00 WT1 O ATOM 21098 H1 TIP3 7199 23.887 4.527 -4.645 1.00 0.00 WT1 H ATOM 21099 H2 TIP3 7199 24.083 4.860 -6.109 1.00 0.00 WT1 H ATOM 21100 OH2 TIP3 7200 83.625 21.145 1.418 1.00 0.00 WT1 O ATOM 21101 H1 TIP3 7200 84.364 21.351 0.846 1.00 0.00 WT1 H ATOM 21102 H2 TIP3 7200 83.227 21.993 1.610 1.00 0.00 WT1 H ATOM 21103 OH2 TIP3 7201 35.612 29.339 -1.579 1.00 0.00 WT1 O ATOM 21104 H1 TIP3 7201 35.281 28.711 -0.937 1.00 0.00 WT1 H ATOM 21105 H2 TIP3 7201 36.179 29.922 -1.075 1.00 0.00 WT1 H ATOM 21106 OH2 TIP3 7202 47.725 18.135 31.730 1.00 0.00 WT1 O ATOM 21107 H1 TIP3 7202 48.547 17.644 31.759 1.00 0.00 WT1 H ATOM 21108 H2 TIP3 7202 47.930 18.915 31.215 1.00 0.00 WT1 H ATOM 21109 OH2 TIP3 7203 57.650 52.886 48.203 1.00 0.00 WT1 O ATOM 21110 H1 TIP3 7203 58.094 53.029 47.367 1.00 0.00 WT1 H ATOM 21111 H2 TIP3 7203 58.039 52.081 48.547 1.00 0.00 WT1 H ATOM 21112 OH2 TIP3 7204 74.957 29.476 21.648 1.00 0.00 WT1 O ATOM 21113 H1 TIP3 7204 75.278 28.668 21.248 1.00 0.00 WT1 H ATOM 21114 H2 TIP3 7204 74.870 29.266 22.578 1.00 0.00 WT1 H ATOM 21115 OH2 TIP3 7205 62.643 11.962 -1.527 1.00 0.00 WT1 O ATOM 21116 H1 TIP3 7205 63.440 12.179 -2.010 1.00 0.00 WT1 H ATOM 21117 H2 TIP3 7205 62.697 12.486 -0.727 1.00 0.00 WT1 H ATOM 21118 OH2 TIP3 7206 46.112 17.584 25.160 1.00 0.00 WT1 O ATOM 21119 H1 TIP3 7206 45.603 16.774 25.136 1.00 0.00 WT1 H ATOM 21120 H2 TIP3 7206 45.645 18.179 24.574 1.00 0.00 WT1 H ATOM 21121 OH2 TIP3 7207 62.550 71.284 42.226 1.00 0.00 WT1 O ATOM 21122 H1 TIP3 7207 61.837 71.856 42.511 1.00 0.00 WT1 H ATOM 21123 H2 TIP3 7207 63.087 71.836 41.658 1.00 0.00 WT1 H ATOM 21124 OH2 TIP3 7208 69.824 53.761 -9.056 1.00 0.00 WT1 O ATOM 21125 H1 TIP3 7208 70.341 53.054 -8.672 1.00 0.00 WT1 H ATOM 21126 H2 TIP3 7208 70.430 54.209 -9.646 1.00 0.00 WT1 H ATOM 21127 OH2 TIP3 7209 47.519 15.103 23.478 1.00 0.00 WT1 O ATOM 21128 H1 TIP3 7209 46.724 15.592 23.265 1.00 0.00 WT1 H ATOM 21129 H2 TIP3 7209 48.093 15.747 23.893 1.00 0.00 WT1 H ATOM 21130 OH2 TIP3 7210 80.497 53.287 2.009 1.00 0.00 WT1 O ATOM 21131 H1 TIP3 7210 80.622 52.510 1.464 1.00 0.00 WT1 H ATOM 21132 H2 TIP3 7210 79.607 53.580 1.810 1.00 0.00 WT1 H ATOM 21133 OH2 TIP3 7211 41.820 46.520 19.370 1.00 0.00 WT1 O ATOM 21134 H1 TIP3 7211 42.103 45.797 19.931 1.00 0.00 WT1 H ATOM 21135 H2 TIP3 7211 42.484 47.197 19.499 1.00 0.00 WT1 H ATOM 21136 OH2 TIP3 7212 58.162 14.107 29.924 1.00 0.00 WT1 O ATOM 21137 H1 TIP3 7212 57.231 14.294 29.806 1.00 0.00 WT1 H ATOM 21138 H2 TIP3 7212 58.560 14.332 29.083 1.00 0.00 WT1 H ATOM 21139 OH2 TIP3 7213 38.281 78.201 2.046 1.00 0.00 WT1 O ATOM 21140 H1 TIP3 7213 38.640 77.892 1.214 1.00 0.00 WT1 H ATOM 21141 H2 TIP3 7213 38.952 77.980 2.693 1.00 0.00 WT1 H ATOM 21142 OH2 TIP3 7215 80.188 92.379 35.279 1.00 0.00 WT1 O ATOM 21143 H1 TIP3 7215 81.055 92.762 35.149 1.00 0.00 WT1 H ATOM 21144 H2 TIP3 7215 80.202 92.053 36.179 1.00 0.00 WT1 H ATOM 21145 OH2 TIP3 7216 84.476 60.173 63.198 1.00 0.00 WT1 O ATOM 21146 H1 TIP3 7216 84.707 59.990 64.109 1.00 0.00 WT1 H ATOM 21147 H2 TIP3 7216 83.740 60.782 63.254 1.00 0.00 WT1 H ATOM 21148 OH2 TIP3 7217 29.751 18.251 -16.157 1.00 0.00 WT1 O ATOM 21149 H1 TIP3 7217 29.805 17.393 -16.579 1.00 0.00 WT1 H ATOM 21150 H2 TIP3 7217 29.264 18.091 -15.349 1.00 0.00 WT1 H ATOM 21151 OH2 TIP3 7219 68.069 56.451 0.566 1.00 0.00 WT1 O ATOM 21152 H1 TIP3 7219 67.253 56.879 0.305 1.00 0.00 WT1 H ATOM 21153 H2 TIP3 7219 68.447 57.036 1.222 1.00 0.00 WT1 H ATOM 21154 OH2 TIP3 7220 31.392 65.251 45.289 1.00 0.00 WT1 O ATOM 21155 H1 TIP3 7220 31.561 64.358 44.990 1.00 0.00 WT1 H ATOM 21156 H2 TIP3 7220 32.237 65.561 45.613 1.00 0.00 WT1 H ATOM 21157 OH2 TIP3 7221 72.861 30.367 61.586 1.00 0.00 WT1 O ATOM 21158 H1 TIP3 7221 72.256 31.033 61.257 1.00 0.00 WT1 H ATOM 21159 H2 TIP3 7221 73.725 30.670 61.310 1.00 0.00 WT1 H ATOM 21160 OH2 TIP3 7222 77.302 78.583 59.456 1.00 0.00 WT1 O ATOM 21161 H1 TIP3 7222 77.233 77.645 59.638 1.00 0.00 WT1 H ATOM 21162 H2 TIP3 7222 76.532 78.966 59.876 1.00 0.00 WT1 H ATOM 21163 OH2 TIP3 7223 55.821 13.169 24.033 1.00 0.00 WT1 O ATOM 21164 H1 TIP3 7223 56.069 12.774 24.869 1.00 0.00 WT1 H ATOM 21165 H2 TIP3 7223 55.057 12.668 23.748 1.00 0.00 WT1 H ATOM 21166 OH2 TIP3 7224 43.745 94.818 -14.564 1.00 0.00 WT1 O ATOM 21167 H1 TIP3 7224 43.409 95.702 -14.417 1.00 0.00 WT1 H ATOM 21168 H2 TIP3 7224 44.167 94.581 -13.739 1.00 0.00 WT1 H ATOM 21169 OH2 TIP3 7225 45.938 86.892 54.572 1.00 0.00 WT1 O ATOM 21170 H1 TIP3 7225 45.470 86.833 55.405 1.00 0.00 WT1 H ATOM 21171 H2 TIP3 7225 45.284 86.660 53.912 1.00 0.00 WT1 H ATOM 21172 OH2 TIP3 7226 89.459 31.558 47.877 1.00 0.00 WT1 O ATOM 21173 H1 TIP3 7226 90.236 31.109 47.545 1.00 0.00 WT1 H ATOM 21174 H2 TIP3 7226 89.792 32.141 48.559 1.00 0.00 WT1 H ATOM 21175 OH2 TIP3 7227 76.469 27.813 -7.219 1.00 0.00 WT1 O ATOM 21176 H1 TIP3 7227 75.811 28.228 -6.661 1.00 0.00 WT1 H ATOM 21177 H2 TIP3 7227 75.964 27.251 -7.807 1.00 0.00 WT1 H ATOM 21178 OH2 TIP3 7228 62.463 41.420 9.091 1.00 0.00 WT1 O ATOM 21179 H1 TIP3 7228 62.936 41.337 9.919 1.00 0.00 WT1 H ATOM 21180 H2 TIP3 7228 62.454 40.534 8.729 1.00 0.00 WT1 H ATOM 21181 OH2 TIP3 7229 36.193 95.571 1.247 1.00 0.00 WT1 O ATOM 21182 H1 TIP3 7229 36.933 96.176 1.207 1.00 0.00 WT1 H ATOM 21183 H2 TIP3 7229 36.589 94.703 1.172 1.00 0.00 WT1 H ATOM 21184 OH2 TIP3 7230 38.750 28.837 8.216 1.00 0.00 WT1 O ATOM 21185 H1 TIP3 7230 39.357 28.787 8.955 1.00 0.00 WT1 H ATOM 21186 H2 TIP3 7230 38.409 29.731 8.246 1.00 0.00 WT1 H ATOM 21187 OH2 TIP3 7231 54.977 27.137 1.104 1.00 0.00 WT1 O ATOM 21188 H1 TIP3 7231 54.948 28.063 1.344 1.00 0.00 WT1 H ATOM 21189 H2 TIP3 7231 55.807 27.036 0.638 1.00 0.00 WT1 H ATOM 21190 OH2 TIP3 7232 66.933 42.756 52.963 1.00 0.00 WT1 O ATOM 21191 H1 TIP3 7232 66.121 43.089 53.347 1.00 0.00 WT1 H ATOM 21192 H2 TIP3 7232 66.820 41.806 52.949 1.00 0.00 WT1 H ATOM 21193 OH2 TIP3 7233 52.714 49.177 -3.561 1.00 0.00 WT1 O ATOM 21194 H1 TIP3 7233 52.761 49.348 -2.621 1.00 0.00 WT1 H ATOM 21195 H2 TIP3 7233 53.148 49.929 -3.964 1.00 0.00 WT1 H ATOM 21196 OH2 TIP3 7234 43.956 13.323 16.988 1.00 0.00 WT1 O ATOM 21197 H1 TIP3 7234 44.657 13.968 17.081 1.00 0.00 WT1 H ATOM 21198 H2 TIP3 7234 43.811 12.997 17.876 1.00 0.00 WT1 H ATOM 21199 OH2 TIP3 7235 40.675 2.117 -8.223 1.00 0.00 WT1 O ATOM 21200 H1 TIP3 7235 41.570 2.281 -7.926 1.00 0.00 WT1 H ATOM 21201 H2 TIP3 7235 40.129 2.318 -7.463 1.00 0.00 WT1 H ATOM 21202 OH2 TIP3 7236 90.370 20.027 55.001 1.00 0.00 WT1 O ATOM 21203 H1 TIP3 7236 91.076 20.668 54.916 1.00 0.00 WT1 H ATOM 21204 H2 TIP3 7236 89.598 20.547 55.222 1.00 0.00 WT1 H ATOM 21205 OH2 TIP3 7237 31.530 64.281 5.895 1.00 0.00 WT1 O ATOM 21206 H1 TIP3 7237 31.511 65.062 5.341 1.00 0.00 WT1 H ATOM 21207 H2 TIP3 7237 30.862 64.443 6.561 1.00 0.00 WT1 H ATOM 21208 OH2 TIP3 7238 27.593 16.500 6.368 1.00 0.00 WT1 O ATOM 21209 H1 TIP3 7238 27.975 15.810 5.827 1.00 0.00 WT1 H ATOM 21210 H2 TIP3 7238 27.826 17.313 5.920 1.00 0.00 WT1 H ATOM 21211 OH2 TIP3 7239 25.478 68.584 -0.145 1.00 0.00 WT1 O ATOM 21212 H1 TIP3 7239 25.064 68.759 0.700 1.00 0.00 WT1 H ATOM 21213 H2 TIP3 7239 26.392 68.395 0.070 1.00 0.00 WT1 H ATOM 21214 OH2 TIP3 7240 77.405 17.428 45.231 1.00 0.00 WT1 O ATOM 21215 H1 TIP3 7240 77.274 17.768 44.346 1.00 0.00 WT1 H ATOM 21216 H2 TIP3 7240 76.648 16.864 45.387 1.00 0.00 WT1 H ATOM 21217 OH2 TIP3 7241 59.530 19.331 16.631 1.00 0.00 WT1 O ATOM 21218 H1 TIP3 7241 58.976 20.069 16.883 1.00 0.00 WT1 H ATOM 21219 H2 TIP3 7241 59.501 19.324 15.674 1.00 0.00 WT1 H ATOM 21220 OH2 TIP3 7242 89.403 38.380 49.012 1.00 0.00 WT1 O ATOM 21221 H1 TIP3 7242 90.028 38.501 49.727 1.00 0.00 WT1 H ATOM 21222 H2 TIP3 7242 88.549 38.342 49.443 1.00 0.00 WT1 H ATOM 21223 OH2 TIP3 7243 36.198 85.091 39.203 1.00 0.00 WT1 O ATOM 21224 H1 TIP3 7243 37.106 84.801 39.289 1.00 0.00 WT1 H ATOM 21225 H2 TIP3 7243 35.938 84.810 38.326 1.00 0.00 WT1 H ATOM 21226 OH2 TIP3 7244 70.573 44.673 36.313 1.00 0.00 WT1 O ATOM 21227 H1 TIP3 7244 70.054 44.594 35.513 1.00 0.00 WT1 H ATOM 21228 H2 TIP3 7244 70.444 43.840 36.767 1.00 0.00 WT1 H ATOM 21229 OH2 TIP3 7245 41.446 17.690 -14.076 1.00 0.00 WT1 O ATOM 21230 H1 TIP3 7245 40.905 18.388 -13.705 1.00 0.00 WT1 H ATOM 21231 H2 TIP3 7245 42.004 17.408 -13.351 1.00 0.00 WT1 H ATOM 21232 OH2 TIP3 7246 70.114 33.542 38.895 1.00 0.00 WT1 O ATOM 21233 H1 TIP3 7246 69.245 33.844 38.633 1.00 0.00 WT1 H ATOM 21234 H2 TIP3 7246 70.719 34.077 38.382 1.00 0.00 WT1 H ATOM 21235 OH2 TIP3 7247 60.645 28.744 43.107 1.00 0.00 WT1 O ATOM 21236 H1 TIP3 7247 60.954 29.404 42.488 1.00 0.00 WT1 H ATOM 21237 H2 TIP3 7247 59.703 28.901 43.177 1.00 0.00 WT1 H ATOM 21238 OH2 TIP3 7248 90.616 70.336 32.740 1.00 0.00 WT1 O ATOM 21239 H1 TIP3 7248 89.872 70.132 32.172 1.00 0.00 WT1 H ATOM 21240 H2 TIP3 7248 91.321 69.770 32.425 1.00 0.00 WT1 H ATOM 21241 OH2 TIP3 7249 25.942 52.531 -9.431 1.00 0.00 WT1 O ATOM 21242 H1 TIP3 7249 25.635 53.214 -8.834 1.00 0.00 WT1 H ATOM 21243 H2 TIP3 7249 26.053 52.978 -10.270 1.00 0.00 WT1 H ATOM 21244 OH2 TIP3 7250 33.125 6.054 9.761 1.00 0.00 WT1 O ATOM 21245 H1 TIP3 7250 32.280 6.488 9.884 1.00 0.00 WT1 H ATOM 21246 H2 TIP3 7250 33.663 6.367 10.488 1.00 0.00 WT1 H ATOM 21247 OH2 TIP3 7251 47.732 5.382 -7.830 1.00 0.00 WT1 O ATOM 21248 H1 TIP3 7251 47.505 6.310 -7.889 1.00 0.00 WT1 H ATOM 21249 H2 TIP3 7251 47.889 5.116 -8.736 1.00 0.00 WT1 H ATOM 21250 OH2 TIP3 7252 78.013 43.636 41.814 1.00 0.00 WT1 O ATOM 21251 H1 TIP3 7252 77.394 44.307 42.100 1.00 0.00 WT1 H ATOM 21252 H2 TIP3 7252 78.039 43.722 40.862 1.00 0.00 WT1 H ATOM 21253 OH2 TIP3 7253 89.058 34.756 41.631 1.00 0.00 WT1 O ATOM 21254 H1 TIP3 7253 89.500 34.514 42.445 1.00 0.00 WT1 H ATOM 21255 H2 TIP3 7253 89.621 35.425 41.241 1.00 0.00 WT1 H ATOM 21256 OH2 TIP3 7254 35.391 83.921 61.276 1.00 0.00 WT1 O ATOM 21257 H1 TIP3 7254 34.746 83.718 61.954 1.00 0.00 WT1 H ATOM 21258 H2 TIP3 7254 35.892 83.112 61.173 1.00 0.00 WT1 H ATOM 21259 OH2 TIP3 7255 82.115 50.977 10.784 1.00 0.00 WT1 O ATOM 21260 H1 TIP3 7255 81.938 50.149 10.338 1.00 0.00 WT1 H ATOM 21261 H2 TIP3 7255 81.290 51.459 10.732 1.00 0.00 WT1 H ATOM 21262 OH2 TIP3 7256 31.005 35.011 1.317 1.00 0.00 WT1 O ATOM 21263 H1 TIP3 7256 30.442 34.291 1.032 1.00 0.00 WT1 H ATOM 21264 H2 TIP3 7256 31.270 35.444 0.505 1.00 0.00 WT1 H ATOM 21265 OH2 TIP3 7257 35.701 79.022 26.350 1.00 0.00 WT1 O ATOM 21266 H1 TIP3 7257 36.266 79.752 26.603 1.00 0.00 WT1 H ATOM 21267 H2 TIP3 7257 36.306 78.336 26.069 1.00 0.00 WT1 H ATOM 21268 OH2 TIP3 7258 74.659 71.484 66.546 1.00 0.00 WT1 O ATOM 21269 H1 TIP3 7258 73.859 71.013 66.312 1.00 0.00 WT1 H ATOM 21270 H2 TIP3 7258 74.620 72.292 66.034 1.00 0.00 WT1 H ATOM 21271 OH2 TIP3 7259 86.167 85.864 7.600 1.00 0.00 WT1 O ATOM 21272 H1 TIP3 7259 85.632 85.410 6.949 1.00 0.00 WT1 H ATOM 21273 H2 TIP3 7259 85.544 86.137 8.274 1.00 0.00 WT1 H ATOM 21274 OH2 TIP3 7260 74.897 46.731 -3.052 1.00 0.00 WT1 O ATOM 21275 H1 TIP3 7260 75.293 45.966 -2.634 1.00 0.00 WT1 H ATOM 21276 H2 TIP3 7260 75.476 47.457 -2.823 1.00 0.00 WT1 H ATOM 21277 OH2 TIP3 7261 31.901 10.716 43.655 1.00 0.00 WT1 O ATOM 21278 H1 TIP3 7261 31.646 9.794 43.626 1.00 0.00 WT1 H ATOM 21279 H2 TIP3 7261 31.089 11.195 43.487 1.00 0.00 WT1 H ATOM 21280 OH2 TIP3 7264 55.898 96.150 33.964 1.00 0.00 WT1 O ATOM 21281 H1 TIP3 7264 56.189 96.881 33.419 1.00 0.00 WT1 H ATOM 21282 H2 TIP3 7264 55.827 95.413 33.359 1.00 0.00 WT1 H ATOM 21283 OH2 TIP3 7265 86.867 53.348 55.443 1.00 0.00 WT1 O ATOM 21284 H1 TIP3 7265 85.948 53.478 55.208 1.00 0.00 WT1 H ATOM 21285 H2 TIP3 7265 87.290 54.178 55.224 1.00 0.00 WT1 H ATOM 21286 OH2 TIP3 7266 53.207 42.793 33.246 1.00 0.00 WT1 O ATOM 21287 H1 TIP3 7266 52.564 43.226 32.684 1.00 0.00 WT1 H ATOM 21288 H2 TIP3 7266 53.589 42.112 32.692 1.00 0.00 WT1 H ATOM 21289 OH2 TIP3 7267 72.828 77.925 65.084 1.00 0.00 WT1 O ATOM 21290 H1 TIP3 7267 72.408 77.283 65.657 1.00 0.00 WT1 H ATOM 21291 H2 TIP3 7267 72.365 78.744 65.262 1.00 0.00 WT1 H ATOM 21292 OH2 TIP3 7268 73.958 11.743 63.261 1.00 0.00 WT1 O ATOM 21293 H1 TIP3 7268 73.307 12.080 63.876 1.00 0.00 WT1 H ATOM 21294 H2 TIP3 7268 74.249 12.514 62.773 1.00 0.00 WT1 H ATOM 21295 OH2 TIP3 7269 80.552 7.242 54.495 1.00 0.00 WT1 O ATOM 21296 H1 TIP3 7269 80.823 8.136 54.288 1.00 0.00 WT1 H ATOM 21297 H2 TIP3 7269 80.672 6.759 53.678 1.00 0.00 WT1 H ATOM 21298 OH2 TIP3 7270 50.474 44.376 -15.487 1.00 0.00 WT1 O ATOM 21299 H1 TIP3 7270 50.163 45.281 -15.468 1.00 0.00 WT1 H ATOM 21300 H2 TIP3 7270 49.737 43.861 -15.159 1.00 0.00 WT1 H ATOM 21301 OH2 TIP3 7271 55.983 50.619 0.155 1.00 0.00 WT1 O ATOM 21302 H1 TIP3 7271 56.384 51.384 -0.258 1.00 0.00 WT1 H ATOM 21303 H2 TIP3 7271 55.628 50.950 0.980 1.00 0.00 WT1 H ATOM 21304 OH2 TIP3 7272 21.347 9.929 66.523 1.00 0.00 WT1 O ATOM 21305 H1 TIP3 7272 21.512 9.397 67.302 1.00 0.00 WT1 H ATOM 21306 H2 TIP3 7272 22.150 10.436 66.404 1.00 0.00 WT1 H ATOM 21307 OH2 TIP3 7273 65.522 50.111 -18.338 1.00 0.00 WT1 O ATOM 21308 H1 TIP3 7273 65.178 50.125 -17.445 1.00 0.00 WT1 H ATOM 21309 H2 TIP3 7273 65.568 51.033 -18.591 1.00 0.00 WT1 H ATOM 21310 OH2 TIP3 7275 65.578 39.737 34.016 1.00 0.00 WT1 O ATOM 21311 H1 TIP3 7275 64.701 39.991 34.304 1.00 0.00 WT1 H ATOM 21312 H2 TIP3 7275 66.128 40.491 34.228 1.00 0.00 WT1 H ATOM 21313 OH2 TIP3 7276 90.328 33.769 49.071 1.00 0.00 WT1 O ATOM 21314 H1 TIP3 7276 90.106 34.334 49.810 1.00 0.00 WT1 H ATOM 21315 H2 TIP3 7276 91.008 34.248 48.598 1.00 0.00 WT1 H ATOM 21316 OH2 TIP3 7277 43.169 22.889 39.136 1.00 0.00 WT1 O ATOM 21317 H1 TIP3 7277 43.167 23.814 39.379 1.00 0.00 WT1 H ATOM 21318 H2 TIP3 7277 43.211 22.892 38.180 1.00 0.00 WT1 H ATOM 21319 OH2 TIP3 7278 54.579 27.159 -10.521 1.00 0.00 WT1 O ATOM 21320 H1 TIP3 7278 55.338 26.933 -9.984 1.00 0.00 WT1 H ATOM 21321 H2 TIP3 7278 54.453 28.097 -10.376 1.00 0.00 WT1 H ATOM 21322 OH2 TIP3 7279 61.733 42.435 35.287 1.00 0.00 WT1 O ATOM 21323 H1 TIP3 7279 62.056 42.101 34.450 1.00 0.00 WT1 H ATOM 21324 H2 TIP3 7279 62.177 43.275 35.398 1.00 0.00 WT1 H ATOM 21325 OH2 TIP3 7280 55.061 24.897 45.823 1.00 0.00 WT1 O ATOM 21326 H1 TIP3 7280 55.201 24.945 44.877 1.00 0.00 WT1 H ATOM 21327 H2 TIP3 7280 54.367 25.533 45.995 1.00 0.00 WT1 H ATOM 21328 OH2 TIP3 7281 40.550 79.090 49.942 1.00 0.00 WT1 O ATOM 21329 H1 TIP3 7281 39.685 79.161 49.537 1.00 0.00 WT1 H ATOM 21330 H2 TIP3 7281 41.138 78.879 49.216 1.00 0.00 WT1 H ATOM 21331 OH2 TIP3 7282 25.233 36.704 -15.149 1.00 0.00 WT1 O ATOM 21332 H1 TIP3 7282 25.689 35.941 -14.795 1.00 0.00 WT1 H ATOM 21333 H2 TIP3 7282 25.811 37.032 -15.838 1.00 0.00 WT1 H ATOM 21334 OH2 TIP3 7283 74.884 52.359 9.135 1.00 0.00 WT1 O ATOM 21335 H1 TIP3 7283 74.600 51.664 8.541 1.00 0.00 WT1 H ATOM 21336 H2 TIP3 7283 74.102 52.572 9.646 1.00 0.00 WT1 H ATOM 21337 OH2 TIP3 7284 22.442 93.158 32.237 1.00 0.00 WT1 O ATOM 21338 H1 TIP3 7284 22.819 94.038 32.231 1.00 0.00 WT1 H ATOM 21339 H2 TIP3 7284 23.199 92.572 32.235 1.00 0.00 WT1 H ATOM 21340 OH2 TIP3 7285 77.447 86.071 35.906 1.00 0.00 WT1 O ATOM 21341 H1 TIP3 7285 77.090 86.851 36.330 1.00 0.00 WT1 H ATOM 21342 H2 TIP3 7285 76.710 85.460 35.868 1.00 0.00 WT1 H ATOM 21343 OH2 TIP3 7286 89.470 51.712 46.440 1.00 0.00 WT1 O ATOM 21344 H1 TIP3 7286 90.414 51.807 46.565 1.00 0.00 WT1 H ATOM 21345 H2 TIP3 7286 89.271 50.838 46.774 1.00 0.00 WT1 H ATOM 21346 OH2 TIP3 7287 67.512 49.904 17.996 1.00 0.00 WT1 O ATOM 21347 H1 TIP3 7287 67.149 50.414 18.720 1.00 0.00 WT1 H ATOM 21348 H2 TIP3 7287 66.793 49.834 17.368 1.00 0.00 WT1 H ATOM 21349 OH2 TIP3 7288 87.238 32.996 -13.163 1.00 0.00 WT1 O ATOM 21350 H1 TIP3 7288 87.865 32.576 -12.574 1.00 0.00 WT1 H ATOM 21351 H2 TIP3 7288 87.516 33.911 -13.196 1.00 0.00 WT1 H ATOM 21352 OH2 TIP3 7289 86.832 95.122 -8.524 1.00 0.00 WT1 O ATOM 21353 H1 TIP3 7289 86.362 94.290 -8.589 1.00 0.00 WT1 H ATOM 21354 H2 TIP3 7289 87.569 95.029 -9.127 1.00 0.00 WT1 H ATOM 21355 OH2 TIP3 7290 64.712 29.436 25.370 1.00 0.00 WT1 O ATOM 21356 H1 TIP3 7290 64.242 30.206 25.050 1.00 0.00 WT1 H ATOM 21357 H2 TIP3 7290 64.162 28.695 25.114 1.00 0.00 WT1 H ATOM 21358 OH2 TIP3 7291 61.585 35.479 26.456 1.00 0.00 WT1 O ATOM 21359 H1 TIP3 7291 61.911 36.196 27.000 1.00 0.00 WT1 H ATOM 21360 H2 TIP3 7291 60.916 35.883 25.902 1.00 0.00 WT1 H ATOM 21361 OH2 TIP3 7293 76.318 15.776 -12.272 1.00 0.00 WT1 O ATOM 21362 H1 TIP3 7293 77.167 16.064 -11.938 1.00 0.00 WT1 H ATOM 21363 H2 TIP3 7293 75.678 16.205 -11.703 1.00 0.00 WT1 H ATOM 21364 OH2 TIP3 7294 84.945 59.211 9.447 1.00 0.00 WT1 O ATOM 21365 H1 TIP3 7294 85.394 59.699 8.757 1.00 0.00 WT1 H ATOM 21366 H2 TIP3 7294 84.581 59.886 10.020 1.00 0.00 WT1 H ATOM 21367 OH2 TIP3 7295 89.431 58.241 34.779 1.00 0.00 WT1 O ATOM 21368 H1 TIP3 7295 89.260 57.883 33.908 1.00 0.00 WT1 H ATOM 21369 H2 TIP3 7295 88.565 58.312 35.183 1.00 0.00 WT1 H ATOM 21370 OH2 TIP3 7297 51.800 96.662 15.616 1.00 0.00 WT1 O ATOM 21371 H1 TIP3 7297 51.808 95.766 15.280 1.00 0.00 WT1 H ATOM 21372 H2 TIP3 7297 52.576 96.716 16.174 1.00 0.00 WT1 H ATOM 21373 OH2 TIP3 7298 36.493 12.241 5.546 1.00 0.00 WT1 O ATOM 21374 H1 TIP3 7298 35.753 11.670 5.752 1.00 0.00 WT1 H ATOM 21375 H2 TIP3 7298 36.367 13.007 6.106 1.00 0.00 WT1 H ATOM 21376 OH2 TIP3 7299 57.346 25.368 -3.928 1.00 0.00 WT1 O ATOM 21377 H1 TIP3 7299 56.993 26.131 -3.471 1.00 0.00 WT1 H ATOM 21378 H2 TIP3 7299 56.749 24.655 -3.701 1.00 0.00 WT1 H ATOM 21379 OH2 TIP3 7300 67.514 89.799 -1.353 1.00 0.00 WT1 O ATOM 21380 H1 TIP3 7300 66.937 90.529 -1.582 1.00 0.00 WT1 H ATOM 21381 H2 TIP3 7300 67.567 89.276 -2.152 1.00 0.00 WT1 H ATOM 21382 OH2 TIP3 7301 21.717 89.935 -3.903 1.00 0.00 WT1 O ATOM 21383 H1 TIP3 7301 20.796 89.997 -3.647 1.00 0.00 WT1 H ATOM 21384 H2 TIP3 7301 21.993 89.071 -3.598 1.00 0.00 WT1 H ATOM 21385 OH2 TIP3 7302 78.448 33.537 8.421 1.00 0.00 WT1 O ATOM 21386 H1 TIP3 7302 78.725 33.129 9.241 1.00 0.00 WT1 H ATOM 21387 H2 TIP3 7302 78.436 34.475 8.612 1.00 0.00 WT1 H ATOM 21388 OH2 TIP3 7304 85.250 33.543 31.227 1.00 0.00 WT1 O ATOM 21389 H1 TIP3 7304 84.483 34.117 31.247 1.00 0.00 WT1 H ATOM 21390 H2 TIP3 7304 85.987 34.121 31.422 1.00 0.00 WT1 H ATOM 21391 OH2 TIP3 7305 86.527 32.562 -2.755 1.00 0.00 WT1 O ATOM 21392 H1 TIP3 7305 86.125 33.406 -2.963 1.00 0.00 WT1 H ATOM 21393 H2 TIP3 7305 86.126 32.303 -1.925 1.00 0.00 WT1 H ATOM 21394 OH2 TIP3 7306 84.550 96.766 -0.133 1.00 0.00 WT1 O ATOM 21395 H1 TIP3 7306 85.027 97.038 -0.917 1.00 0.00 WT1 H ATOM 21396 H2 TIP3 7306 84.559 95.810 -0.168 1.00 0.00 WT1 H ATOM 21397 OH2 TIP3 7307 48.026 35.484 -6.588 1.00 0.00 WT1 O ATOM 21398 H1 TIP3 7307 47.938 36.361 -6.961 1.00 0.00 WT1 H ATOM 21399 H2 TIP3 7307 48.429 35.626 -5.732 1.00 0.00 WT1 H ATOM 21400 OH2 TIP3 7309 29.288 36.608 36.954 1.00 0.00 WT1 O ATOM 21401 H1 TIP3 7309 28.344 36.458 36.899 1.00 0.00 WT1 H ATOM 21402 H2 TIP3 7309 29.539 36.885 36.073 1.00 0.00 WT1 H ATOM 21403 OH2 TIP3 7310 34.732 56.224 16.889 1.00 0.00 WT1 O ATOM 21404 H1 TIP3 7310 35.254 55.720 17.513 1.00 0.00 WT1 H ATOM 21405 H2 TIP3 7310 35.369 56.773 16.432 1.00 0.00 WT1 H ATOM 21406 OH2 TIP3 7312 88.091 63.655 9.112 1.00 0.00 WT1 O ATOM 21407 H1 TIP3 7312 87.757 62.993 8.507 1.00 0.00 WT1 H ATOM 21408 H2 TIP3 7312 89.014 63.431 9.229 1.00 0.00 WT1 H ATOM 21409 OH2 TIP3 7313 90.258 95.792 57.640 1.00 0.00 WT1 O ATOM 21410 H1 TIP3 7313 89.350 95.725 57.936 1.00 0.00 WT1 H ATOM 21411 H2 TIP3 7313 90.646 96.461 58.205 1.00 0.00 WT1 H ATOM 21412 OH2 TIP3 7314 34.737 13.527 61.627 1.00 0.00 WT1 O ATOM 21413 H1 TIP3 7314 35.049 12.791 62.154 1.00 0.00 WT1 H ATOM 21414 H2 TIP3 7314 35.299 13.522 60.852 1.00 0.00 WT1 H ATOM 21415 OH2 TIP3 7315 51.085 7.800 39.138 1.00 0.00 WT1 O ATOM 21416 H1 TIP3 7315 51.434 6.928 38.954 1.00 0.00 WT1 H ATOM 21417 H2 TIP3 7315 51.652 8.394 38.646 1.00 0.00 WT1 H ATOM 21418 OH2 TIP3 7318 82.715 39.940 51.516 1.00 0.00 WT1 O ATOM 21419 H1 TIP3 7318 82.565 40.881 51.427 1.00 0.00 WT1 H ATOM 21420 H2 TIP3 7318 82.371 39.723 52.383 1.00 0.00 WT1 H ATOM 21421 OH2 TIP3 7319 59.703 63.579 21.788 1.00 0.00 WT1 O ATOM 21422 H1 TIP3 7319 59.645 64.459 21.415 1.00 0.00 WT1 H ATOM 21423 H2 TIP3 7319 59.467 62.996 21.067 1.00 0.00 WT1 H ATOM 21424 OH2 TIP3 7320 65.423 7.354 50.107 1.00 0.00 WT1 O ATOM 21425 H1 TIP3 7320 64.928 7.227 50.916 1.00 0.00 WT1 H ATOM 21426 H2 TIP3 7320 64.937 6.859 49.448 1.00 0.00 WT1 H ATOM 21427 OH2 TIP3 7322 80.017 59.448 42.788 1.00 0.00 WT1 O ATOM 21428 H1 TIP3 7322 79.768 60.208 42.261 1.00 0.00 WT1 H ATOM 21429 H2 TIP3 7322 80.087 58.732 42.157 1.00 0.00 WT1 H ATOM 21430 OH2 TIP3 7323 81.058 49.253 -9.551 1.00 0.00 WT1 O ATOM 21431 H1 TIP3 7323 81.427 49.273 -10.434 1.00 0.00 WT1 H ATOM 21432 H2 TIP3 7323 80.111 49.240 -9.688 1.00 0.00 WT1 H ATOM 21433 OH2 TIP3 7324 35.164 79.986 -17.103 1.00 0.00 WT1 O ATOM 21434 H1 TIP3 7324 34.891 80.799 -16.679 1.00 0.00 WT1 H ATOM 21435 H2 TIP3 7324 35.439 80.253 -17.980 1.00 0.00 WT1 H ATOM 21436 OH2 TIP3 7325 21.477 30.162 3.143 1.00 0.00 WT1 O ATOM 21437 H1 TIP3 7325 21.381 30.919 2.564 1.00 0.00 WT1 H ATOM 21438 H2 TIP3 7325 21.588 29.419 2.550 1.00 0.00 WT1 H ATOM 21439 OH2 TIP3 7326 33.613 18.903 36.001 1.00 0.00 WT1 O ATOM 21440 H1 TIP3 7326 33.110 18.989 35.192 1.00 0.00 WT1 H ATOM 21441 H2 TIP3 7326 33.068 19.321 36.668 1.00 0.00 WT1 H ATOM 21442 OH2 TIP3 7328 66.834 17.090 8.454 1.00 0.00 WT1 O ATOM 21443 H1 TIP3 7328 66.253 16.537 8.976 1.00 0.00 WT1 H ATOM 21444 H2 TIP3 7328 66.958 17.877 8.985 1.00 0.00 WT1 H ATOM 21445 OH2 TIP3 7329 34.109 21.700 -7.407 1.00 0.00 WT1 O ATOM 21446 H1 TIP3 7329 35.025 21.472 -7.566 1.00 0.00 WT1 H ATOM 21447 H2 TIP3 7329 34.104 22.656 -7.362 1.00 0.00 WT1 H ATOM 21448 OH2 TIP3 7330 58.337 56.085 -5.249 1.00 0.00 WT1 O ATOM 21449 H1 TIP3 7330 57.463 55.768 -5.024 1.00 0.00 WT1 H ATOM 21450 H2 TIP3 7330 58.758 56.249 -4.405 1.00 0.00 WT1 H ATOM 21451 OH2 TIP3 7331 28.237 20.612 -7.235 1.00 0.00 WT1 O ATOM 21452 H1 TIP3 7331 28.225 20.322 -8.147 1.00 0.00 WT1 H ATOM 21453 H2 TIP3 7331 28.678 19.905 -6.764 1.00 0.00 WT1 H ATOM 21454 OH2 TIP3 7332 60.553 48.026 55.991 1.00 0.00 WT1 O ATOM 21455 H1 TIP3 7332 60.360 47.111 55.790 1.00 0.00 WT1 H ATOM 21456 H2 TIP3 7332 61.509 48.072 56.006 1.00 0.00 WT1 H ATOM 21457 OH2 TIP3 7333 72.933 54.639 41.238 1.00 0.00 WT1 O ATOM 21458 H1 TIP3 7333 72.860 55.325 40.574 1.00 0.00 WT1 H ATOM 21459 H2 TIP3 7333 72.055 54.259 41.287 1.00 0.00 WT1 H ATOM 21460 OH2 TIP3 7334 76.692 65.521 14.103 1.00 0.00 WT1 O ATOM 21461 H1 TIP3 7334 76.166 64.752 13.882 1.00 0.00 WT1 H ATOM 21462 H2 TIP3 7334 76.125 66.045 14.669 1.00 0.00 WT1 H ATOM 21463 OH2 TIP3 7335 66.124 48.527 -0.361 1.00 0.00 WT1 O ATOM 21464 H1 TIP3 7335 66.639 48.701 -1.149 1.00 0.00 WT1 H ATOM 21465 H2 TIP3 7335 66.093 49.367 0.096 1.00 0.00 WT1 H ATOM 21466 OH2 TIP3 7336 74.689 47.651 43.081 1.00 0.00 WT1 O ATOM 21467 H1 TIP3 7336 73.859 47.175 43.045 1.00 0.00 WT1 H ATOM 21468 H2 TIP3 7336 74.610 48.322 42.403 1.00 0.00 WT1 H ATOM 21469 OH2 TIP3 7337 24.516 60.068 14.328 1.00 0.00 WT1 O ATOM 21470 H1 TIP3 7337 24.055 59.494 13.716 1.00 0.00 WT1 H ATOM 21471 H2 TIP3 7337 24.767 59.495 15.052 1.00 0.00 WT1 H ATOM 21472 OH2 TIP3 7338 84.884 24.850 60.666 1.00 0.00 WT1 O ATOM 21473 H1 TIP3 7338 84.522 23.977 60.514 1.00 0.00 WT1 H ATOM 21474 H2 TIP3 7338 84.237 25.446 60.290 1.00 0.00 WT1 H ATOM 21475 OH2 TIP3 7339 29.012 16.105 50.367 1.00 0.00 WT1 O ATOM 21476 H1 TIP3 7339 28.879 16.922 50.848 1.00 0.00 WT1 H ATOM 21477 H2 TIP3 7339 28.852 16.336 49.452 1.00 0.00 WT1 H ATOM 21478 OH2 TIP3 7340 32.791 76.692 61.681 1.00 0.00 WT1 O ATOM 21479 H1 TIP3 7340 33.744 76.644 61.599 1.00 0.00 WT1 H ATOM 21480 H2 TIP3 7340 32.474 75.890 61.265 1.00 0.00 WT1 H ATOM 21481 OH2 TIP3 7342 52.873 54.014 59.113 1.00 0.00 WT1 O ATOM 21482 H1 TIP3 7342 52.798 53.065 59.216 1.00 0.00 WT1 H ATOM 21483 H2 TIP3 7342 52.808 54.358 60.004 1.00 0.00 WT1 H ATOM 21484 OH2 TIP3 7343 37.726 48.601 -14.770 1.00 0.00 WT1 O ATOM 21485 H1 TIP3 7343 38.453 48.751 -14.166 1.00 0.00 WT1 H ATOM 21486 H2 TIP3 7343 38.048 48.914 -15.615 1.00 0.00 WT1 H ATOM 21487 OH2 TIP3 7344 66.758 57.873 -4.035 1.00 0.00 WT1 O ATOM 21488 H1 TIP3 7344 66.113 57.179 -3.901 1.00 0.00 WT1 H ATOM 21489 H2 TIP3 7344 66.597 58.491 -3.322 1.00 0.00 WT1 H ATOM 21490 OH2 TIP3 7346 75.847 2.884 64.385 1.00 0.00 WT1 O ATOM 21491 H1 TIP3 7346 74.956 3.070 64.087 1.00 0.00 WT1 H ATOM 21492 H2 TIP3 7346 76.110 3.673 64.858 1.00 0.00 WT1 H ATOM 21493 OH2 TIP3 7348 58.460 67.840 -19.362 1.00 0.00 WT1 O ATOM 21494 H1 TIP3 7348 58.278 68.480 -20.050 1.00 0.00 WT1 H ATOM 21495 H2 TIP3 7348 57.926 68.127 -18.621 1.00 0.00 WT1 H ATOM 21496 OH2 TIP3 7350 49.673 63.535 -17.585 1.00 0.00 WT1 O ATOM 21497 H1 TIP3 7350 49.791 64.101 -18.348 1.00 0.00 WT1 H ATOM 21498 H2 TIP3 7350 50.162 62.741 -17.797 1.00 0.00 WT1 H ATOM 21499 OH2 TIP3 7351 57.199 94.383 47.880 1.00 0.00 WT1 O ATOM 21500 H1 TIP3 7351 57.397 94.671 46.989 1.00 0.00 WT1 H ATOM 21501 H2 TIP3 7351 56.688 93.582 47.766 1.00 0.00 WT1 H ATOM 21502 OH2 TIP3 7352 33.782 0.845 61.372 1.00 0.00 WT1 O ATOM 21503 H1 TIP3 7352 33.468 1.747 61.318 1.00 0.00 WT1 H ATOM 21504 H2 TIP3 7352 33.882 0.682 62.310 1.00 0.00 WT1 H ATOM 21505 OH2 TIP3 7353 87.915 95.851 14.047 1.00 0.00 WT1 O ATOM 21506 H1 TIP3 7353 87.004 95.660 13.823 1.00 0.00 WT1 H ATOM 21507 H2 TIP3 7353 88.342 96.006 13.205 1.00 0.00 WT1 H ATOM 21508 OH2 TIP3 7354 80.715 36.345 -10.305 1.00 0.00 WT1 O ATOM 21509 H1 TIP3 7354 80.241 36.486 -9.486 1.00 0.00 WT1 H ATOM 21510 H2 TIP3 7354 81.259 35.575 -10.139 1.00 0.00 WT1 H ATOM 21511 OH2 TIP3 7355 86.918 37.557 -18.029 1.00 0.00 WT1 O ATOM 21512 H1 TIP3 7355 86.942 37.391 -18.971 1.00 0.00 WT1 H ATOM 21513 H2 TIP3 7355 85.985 37.613 -17.819 1.00 0.00 WT1 H ATOM 21514 OH2 TIP3 7356 28.557 40.069 64.285 1.00 0.00 WT1 O ATOM 21515 H1 TIP3 7356 28.939 40.249 65.144 1.00 0.00 WT1 H ATOM 21516 H2 TIP3 7356 27.639 39.870 64.468 1.00 0.00 WT1 H ATOM 21517 OH2 TIP3 7357 21.707 84.664 12.121 1.00 0.00 WT1 O ATOM 21518 H1 TIP3 7357 20.844 84.990 12.376 1.00 0.00 WT1 H ATOM 21519 H2 TIP3 7357 21.527 83.848 11.655 1.00 0.00 WT1 H ATOM 21520 OH2 TIP3 7358 84.764 61.847 -1.208 1.00 0.00 WT1 O ATOM 21521 H1 TIP3 7358 85.522 61.488 -0.748 1.00 0.00 WT1 H ATOM 21522 H2 TIP3 7358 85.100 62.096 -2.069 1.00 0.00 WT1 H ATOM 21523 OH2 TIP3 7359 89.850 34.433 16.234 1.00 0.00 WT1 O ATOM 21524 H1 TIP3 7359 90.058 34.658 15.328 1.00 0.00 WT1 H ATOM 21525 H2 TIP3 7359 89.906 33.478 16.263 1.00 0.00 WT1 H ATOM 21526 OH2 TIP3 7360 58.699 20.278 38.766 1.00 0.00 WT1 O ATOM 21527 H1 TIP3 7360 58.329 20.438 37.898 1.00 0.00 WT1 H ATOM 21528 H2 TIP3 7360 58.279 20.928 39.329 1.00 0.00 WT1 H ATOM 21529 OH2 TIP3 7362 35.605 16.652 4.824 1.00 0.00 WT1 O ATOM 21530 H1 TIP3 7362 34.787 16.728 5.315 1.00 0.00 WT1 H ATOM 21531 H2 TIP3 7362 35.405 16.037 4.118 1.00 0.00 WT1 H ATOM 21532 OH2 TIP3 7363 46.987 26.582 -12.281 1.00 0.00 WT1 O ATOM 21533 H1 TIP3 7363 47.380 27.144 -11.612 1.00 0.00 WT1 H ATOM 21534 H2 TIP3 7363 46.303 26.100 -11.818 1.00 0.00 WT1 H ATOM 21535 OH2 TIP3 7364 61.762 44.129 -12.355 1.00 0.00 WT1 O ATOM 21536 H1 TIP3 7364 61.131 43.795 -12.992 1.00 0.00 WT1 H ATOM 21537 H2 TIP3 7364 61.281 44.800 -11.870 1.00 0.00 WT1 H ATOM 21538 OH2 TIP3 7365 59.228 67.143 -9.182 1.00 0.00 WT1 O ATOM 21539 H1 TIP3 7365 58.671 67.569 -8.531 1.00 0.00 WT1 H ATOM 21540 H2 TIP3 7365 59.421 67.831 -9.819 1.00 0.00 WT1 H ATOM 21541 OH2 TIP3 7366 84.421 2.217 1.804 1.00 0.00 WT1 O ATOM 21542 H1 TIP3 7366 83.562 2.622 1.922 1.00 0.00 WT1 H ATOM 21543 H2 TIP3 7366 84.319 1.657 1.035 1.00 0.00 WT1 H ATOM 21544 OH2 TIP3 7367 72.884 84.656 -4.064 1.00 0.00 WT1 O ATOM 21545 H1 TIP3 7367 72.939 84.468 -5.001 1.00 0.00 WT1 H ATOM 21546 H2 TIP3 7367 71.966 84.888 -3.920 1.00 0.00 WT1 H ATOM 21547 OH2 TIP3 7369 47.020 39.719 11.297 1.00 0.00 WT1 O ATOM 21548 H1 TIP3 7369 47.420 38.850 11.269 1.00 0.00 WT1 H ATOM 21549 H2 TIP3 7369 47.226 40.050 12.171 1.00 0.00 WT1 H ATOM 21550 OH2 TIP3 7370 37.250 61.999 -14.273 1.00 0.00 WT1 O ATOM 21551 H1 TIP3 7370 37.455 62.933 -14.309 1.00 0.00 WT1 H ATOM 21552 H2 TIP3 7370 36.989 61.846 -13.364 1.00 0.00 WT1 H ATOM 21553 OH2 TIP3 7371 23.330 93.005 17.765 1.00 0.00 WT1 O ATOM 21554 H1 TIP3 7371 23.339 92.097 18.070 1.00 0.00 WT1 H ATOM 21555 H2 TIP3 7371 23.216 93.524 18.561 1.00 0.00 WT1 H ATOM 21556 OH2 TIP3 7372 43.782 17.102 45.683 1.00 0.00 WT1 O ATOM 21557 H1 TIP3 7372 44.386 17.822 45.501 1.00 0.00 WT1 H ATOM 21558 H2 TIP3 7372 43.971 16.453 45.005 1.00 0.00 WT1 H ATOM 21559 OH2 TIP3 7373 53.610 24.384 11.644 1.00 0.00 WT1 O ATOM 21560 H1 TIP3 7373 53.534 24.366 12.598 1.00 0.00 WT1 H ATOM 21561 H2 TIP3 7373 52.723 24.572 11.337 1.00 0.00 WT1 H ATOM 21562 OH2 TIP3 7374 54.919 80.908 36.715 1.00 0.00 WT1 O ATOM 21563 H1 TIP3 7374 55.346 81.710 36.414 1.00 0.00 WT1 H ATOM 21564 H2 TIP3 7374 54.620 80.480 35.912 1.00 0.00 WT1 H ATOM 21565 OH2 TIP3 7376 80.817 21.989 -18.789 1.00 0.00 WT1 O ATOM 21566 H1 TIP3 7376 80.579 22.831 -18.401 1.00 0.00 WT1 H ATOM 21567 H2 TIP3 7376 81.618 21.732 -18.333 1.00 0.00 WT1 H ATOM 21568 OH2 TIP3 7378 70.414 93.928 1.840 1.00 0.00 WT1 O ATOM 21569 H1 TIP3 7378 69.461 93.864 1.890 1.00 0.00 WT1 H ATOM 21570 H2 TIP3 7378 70.706 93.877 2.750 1.00 0.00 WT1 H ATOM 21571 OH2 TIP3 7379 57.540 27.895 5.922 1.00 0.00 WT1 O ATOM 21572 H1 TIP3 7379 58.334 27.513 5.549 1.00 0.00 WT1 H ATOM 21573 H2 TIP3 7379 57.589 28.823 5.692 1.00 0.00 WT1 H ATOM 21574 OH2 TIP3 7380 23.592 64.658 56.300 1.00 0.00 WT1 O ATOM 21575 H1 TIP3 7380 24.194 65.074 55.683 1.00 0.00 WT1 H ATOM 21576 H2 TIP3 7380 24.079 63.910 56.645 1.00 0.00 WT1 H ATOM 21577 OH2 TIP3 7381 82.776 41.187 -6.156 1.00 0.00 WT1 O ATOM 21578 H1 TIP3 7381 81.990 41.208 -5.610 1.00 0.00 WT1 H ATOM 21579 H2 TIP3 7381 82.990 40.257 -6.232 1.00 0.00 WT1 H ATOM 21580 OH2 TIP3 7382 54.525 69.930 -0.004 1.00 0.00 WT1 O ATOM 21581 H1 TIP3 7382 53.725 69.699 0.469 1.00 0.00 WT1 H ATOM 21582 H2 TIP3 7382 55.233 69.715 0.603 1.00 0.00 WT1 H ATOM 21583 OH2 TIP3 7383 76.322 31.006 44.223 1.00 0.00 WT1 O ATOM 21584 H1 TIP3 7383 76.660 30.188 44.586 1.00 0.00 WT1 H ATOM 21585 H2 TIP3 7383 75.624 30.735 43.628 1.00 0.00 WT1 H ATOM 21586 OH2 TIP3 7384 59.358 56.186 21.270 1.00 0.00 WT1 O ATOM 21587 H1 TIP3 7384 58.976 55.317 21.394 1.00 0.00 WT1 H ATOM 21588 H2 TIP3 7384 58.922 56.530 20.491 1.00 0.00 WT1 H ATOM 21589 OH2 TIP3 7385 26.431 53.744 40.443 1.00 0.00 WT1 O ATOM 21590 H1 TIP3 7385 25.669 54.104 39.989 1.00 0.00 WT1 H ATOM 21591 H2 TIP3 7385 27.182 54.096 39.967 1.00 0.00 WT1 H ATOM 21592 OH2 TIP3 7387 38.766 50.812 46.335 1.00 0.00 WT1 O ATOM 21593 H1 TIP3 7387 39.626 50.567 46.678 1.00 0.00 WT1 H ATOM 21594 H2 TIP3 7387 38.894 51.689 45.973 1.00 0.00 WT1 H ATOM 21595 OH2 TIP3 7388 40.045 22.193 -5.587 1.00 0.00 WT1 O ATOM 21596 H1 TIP3 7388 40.726 22.858 -5.687 1.00 0.00 WT1 H ATOM 21597 H2 TIP3 7388 40.378 21.609 -4.906 1.00 0.00 WT1 H ATOM 21598 OH2 TIP3 7389 23.832 30.757 -17.883 1.00 0.00 WT1 O ATOM 21599 H1 TIP3 7389 22.959 31.119 -18.034 1.00 0.00 WT1 H ATOM 21600 H2 TIP3 7389 23.937 30.773 -16.931 1.00 0.00 WT1 H ATOM 21601 OH2 TIP3 7390 77.826 34.445 32.736 1.00 0.00 WT1 O ATOM 21602 H1 TIP3 7390 77.102 34.711 32.170 1.00 0.00 WT1 H ATOM 21603 H2 TIP3 7390 78.535 34.224 32.131 1.00 0.00 WT1 H ATOM 21604 OH2 TIP3 7391 81.284 50.441 23.167 1.00 0.00 WT1 O ATOM 21605 H1 TIP3 7391 81.732 49.997 22.446 1.00 0.00 WT1 H ATOM 21606 H2 TIP3 7391 80.635 49.807 23.472 1.00 0.00 WT1 H ATOM 21607 OH2 TIP3 7392 21.421 80.520 3.327 1.00 0.00 WT1 O ATOM 21608 H1 TIP3 7392 20.814 81.172 3.677 1.00 0.00 WT1 H ATOM 21609 H2 TIP3 7392 21.368 80.629 2.377 1.00 0.00 WT1 H ATOM 21610 OH2 TIP3 7393 84.517 32.025 5.009 1.00 0.00 WT1 O ATOM 21611 H1 TIP3 7393 85.406 31.945 5.355 1.00 0.00 WT1 H ATOM 21612 H2 TIP3 7393 84.468 32.922 4.678 1.00 0.00 WT1 H ATOM 21613 OH2 TIP3 7394 39.138 31.466 50.618 1.00 0.00 WT1 O ATOM 21614 H1 TIP3 7394 39.857 30.869 50.825 1.00 0.00 WT1 H ATOM 21615 H2 TIP3 7394 39.278 31.701 49.700 1.00 0.00 WT1 H ATOM 21616 OH2 TIP3 7395 22.663 22.836 24.288 1.00 0.00 WT1 O ATOM 21617 H1 TIP3 7395 23.323 22.174 24.081 1.00 0.00 WT1 H ATOM 21618 H2 TIP3 7395 22.762 23.497 23.603 1.00 0.00 WT1 H ATOM 21619 OH2 TIP3 7396 28.241 76.784 11.468 1.00 0.00 WT1 O ATOM 21620 H1 TIP3 7396 27.964 76.662 12.376 1.00 0.00 WT1 H ATOM 21621 H2 TIP3 7396 27.670 76.206 10.963 1.00 0.00 WT1 H ATOM 21622 OH2 TIP3 7397 60.639 6.967 14.583 1.00 0.00 WT1 O ATOM 21623 H1 TIP3 7397 60.999 6.726 13.730 1.00 0.00 WT1 H ATOM 21624 H2 TIP3 7397 61.386 7.316 15.069 1.00 0.00 WT1 H ATOM 21625 OH2 TIP3 7398 75.580 18.152 -16.529 1.00 0.00 WT1 O ATOM 21626 H1 TIP3 7398 75.796 17.375 -17.045 1.00 0.00 WT1 H ATOM 21627 H2 TIP3 7398 75.997 18.875 -16.998 1.00 0.00 WT1 H ATOM 21628 OH2 TIP3 7399 75.479 35.160 -4.276 1.00 0.00 WT1 O ATOM 21629 H1 TIP3 7399 75.395 35.377 -3.348 1.00 0.00 WT1 H ATOM 21630 H2 TIP3 7399 75.692 34.227 -4.286 1.00 0.00 WT1 H ATOM 21631 OH2 TIP3 7400 63.044 63.504 26.267 1.00 0.00 WT1 O ATOM 21632 H1 TIP3 7400 63.020 62.605 25.938 1.00 0.00 WT1 H ATOM 21633 H2 TIP3 7400 62.125 63.742 26.384 1.00 0.00 WT1 H ATOM 21634 OH2 TIP3 7401 58.817 36.422 -8.581 1.00 0.00 WT1 O ATOM 21635 H1 TIP3 7401 59.311 35.850 -9.168 1.00 0.00 WT1 H ATOM 21636 H2 TIP3 7401 59.486 36.882 -8.074 1.00 0.00 WT1 H ATOM 21637 OH2 TIP3 7403 63.495 32.104 -17.688 1.00 0.00 WT1 O ATOM 21638 H1 TIP3 7403 62.720 32.624 -17.478 1.00 0.00 WT1 H ATOM 21639 H2 TIP3 7403 63.854 31.853 -16.836 1.00 0.00 WT1 H ATOM 21640 OH2 TIP3 7408 76.956 55.155 6.645 1.00 0.00 WT1 O ATOM 21641 H1 TIP3 7408 76.023 55.250 6.451 1.00 0.00 WT1 H ATOM 21642 H2 TIP3 7408 77.030 55.368 7.576 1.00 0.00 WT1 H ATOM 21643 OH2 TIP3 7409 62.967 37.490 -8.423 1.00 0.00 WT1 O ATOM 21644 H1 TIP3 7409 62.595 38.333 -8.165 1.00 0.00 WT1 H ATOM 21645 H2 TIP3 7409 63.309 37.119 -7.610 1.00 0.00 WT1 H ATOM 21646 OH2 TIP3 7410 40.594 74.910 -4.546 1.00 0.00 WT1 O ATOM 21647 H1 TIP3 7410 40.231 74.610 -3.713 1.00 0.00 WT1 H ATOM 21648 H2 TIP3 7410 41.420 74.435 -4.633 1.00 0.00 WT1 H ATOM 21649 OH2 TIP3 7411 28.144 62.798 11.137 1.00 0.00 WT1 O ATOM 21650 H1 TIP3 7411 28.139 63.129 12.035 1.00 0.00 WT1 H ATOM 21651 H2 TIP3 7411 27.357 62.257 11.076 1.00 0.00 WT1 H ATOM 21652 OH2 TIP3 7412 84.313 71.130 -14.498 1.00 0.00 WT1 O ATOM 21653 H1 TIP3 7412 83.721 71.672 -13.977 1.00 0.00 WT1 H ATOM 21654 H2 TIP3 7412 84.223 70.252 -14.129 1.00 0.00 WT1 H ATOM 21655 OH2 TIP3 7413 84.373 77.692 20.354 1.00 0.00 WT1 O ATOM 21656 H1 TIP3 7413 83.822 78.311 20.833 1.00 0.00 WT1 H ATOM 21657 H2 TIP3 7413 84.145 76.837 20.717 1.00 0.00 WT1 H ATOM 21658 OH2 TIP3 7414 79.985 53.935 57.357 1.00 0.00 WT1 O ATOM 21659 H1 TIP3 7414 79.324 53.294 57.095 1.00 0.00 WT1 H ATOM 21660 H2 TIP3 7414 79.505 54.573 57.885 1.00 0.00 WT1 H ATOM 21661 OH2 TIP3 7415 73.595 54.929 27.211 1.00 0.00 WT1 O ATOM 21662 H1 TIP3 7415 73.028 54.694 26.476 1.00 0.00 WT1 H ATOM 21663 H2 TIP3 7415 73.147 55.662 27.634 1.00 0.00 WT1 H ATOM 21664 OH2 TIP3 7416 44.690 39.483 51.413 1.00 0.00 WT1 O ATOM 21665 H1 TIP3 7416 44.727 40.423 51.237 1.00 0.00 WT1 H ATOM 21666 H2 TIP3 7416 43.770 39.314 51.620 1.00 0.00 WT1 H ATOM 21667 OH2 TIP3 7417 50.473 0.722 43.640 1.00 0.00 WT1 O ATOM 21668 H1 TIP3 7417 50.083 1.119 42.861 1.00 0.00 WT1 H ATOM 21669 H2 TIP3 7417 51.415 0.729 43.467 1.00 0.00 WT1 H ATOM 21670 OH2 TIP3 7418 37.070 27.427 -12.071 1.00 0.00 WT1 O ATOM 21671 H1 TIP3 7418 36.254 27.893 -12.253 1.00 0.00 WT1 H ATOM 21672 H2 TIP3 7418 37.508 27.959 -11.407 1.00 0.00 WT1 H ATOM 21673 OH2 TIP3 7419 47.810 38.025 21.282 1.00 0.00 WT1 O ATOM 21674 H1 TIP3 7419 48.233 38.242 20.451 1.00 0.00 WT1 H ATOM 21675 H2 TIP3 7419 48.519 38.049 21.925 1.00 0.00 WT1 H ATOM 21676 OH2 TIP3 7420 73.558 67.157 -3.185 1.00 0.00 WT1 O ATOM 21677 H1 TIP3 7420 74.459 67.305 -2.898 1.00 0.00 WT1 H ATOM 21678 H2 TIP3 7420 73.126 68.002 -3.066 1.00 0.00 WT1 H ATOM 21679 OH2 TIP3 7421 85.527 54.154 26.647 1.00 0.00 WT1 O ATOM 21680 H1 TIP3 7421 86.124 54.902 26.637 1.00 0.00 WT1 H ATOM 21681 H2 TIP3 7421 84.829 54.395 26.038 1.00 0.00 WT1 H ATOM 21682 OH2 TIP3 7422 35.109 59.483 -12.721 1.00 0.00 WT1 O ATOM 21683 H1 TIP3 7422 35.357 59.397 -11.800 1.00 0.00 WT1 H ATOM 21684 H2 TIP3 7422 35.843 59.103 -13.203 1.00 0.00 WT1 H ATOM 21685 OH2 TIP3 7423 89.270 91.478 6.981 1.00 0.00 WT1 O ATOM 21686 H1 TIP3 7423 89.754 91.159 7.743 1.00 0.00 WT1 H ATOM 21687 H2 TIP3 7423 88.536 91.968 7.352 1.00 0.00 WT1 H ATOM 21688 OH2 TIP3 7424 70.332 9.773 7.970 1.00 0.00 WT1 O ATOM 21689 H1 TIP3 7424 70.245 10.710 7.795 1.00 0.00 WT1 H ATOM 21690 H2 TIP3 7424 70.746 9.727 8.831 1.00 0.00 WT1 H ATOM 21691 OH2 TIP3 7426 21.949 26.395 27.840 1.00 0.00 WT1 O ATOM 21692 H1 TIP3 7426 22.662 25.950 27.383 1.00 0.00 WT1 H ATOM 21693 H2 TIP3 7426 21.676 27.090 27.241 1.00 0.00 WT1 H ATOM 21694 OH2 TIP3 7427 73.471 49.324 7.524 1.00 0.00 WT1 O ATOM 21695 H1 TIP3 7427 73.827 48.618 8.062 1.00 0.00 WT1 H ATOM 21696 H2 TIP3 7427 72.535 49.132 7.465 1.00 0.00 WT1 H ATOM 21697 OH2 TIP3 7428 22.566 36.011 61.187 1.00 0.00 WT1 O ATOM 21698 H1 TIP3 7428 23.338 35.845 60.646 1.00 0.00 WT1 H ATOM 21699 H2 TIP3 7428 22.154 35.153 61.288 1.00 0.00 WT1 H ATOM 21700 OH2 TIP3 7429 33.620 41.818 37.805 1.00 0.00 WT1 O ATOM 21701 H1 TIP3 7429 34.037 42.456 37.225 1.00 0.00 WT1 H ATOM 21702 H2 TIP3 7429 33.265 41.153 37.215 1.00 0.00 WT1 H ATOM 21703 OH2 TIP3 7430 77.431 71.426 6.950 1.00 0.00 WT1 O ATOM 21704 H1 TIP3 7430 77.504 71.047 6.075 1.00 0.00 WT1 H ATOM 21705 H2 TIP3 7430 76.620 71.060 7.304 1.00 0.00 WT1 H ATOM 21706 OH2 TIP3 7431 45.415 84.799 20.988 1.00 0.00 WT1 O ATOM 21707 H1 TIP3 7431 45.050 83.960 20.704 1.00 0.00 WT1 H ATOM 21708 H2 TIP3 7431 46.240 84.570 21.415 1.00 0.00 WT1 H ATOM 21709 OH2 TIP3 7432 24.874 10.980 4.978 1.00 0.00 WT1 O ATOM 21710 H1 TIP3 7432 25.207 11.616 4.344 1.00 0.00 WT1 H ATOM 21711 H2 TIP3 7432 23.934 10.939 4.804 1.00 0.00 WT1 H ATOM 21712 OH2 TIP3 7433 27.500 67.194 6.031 1.00 0.00 WT1 O ATOM 21713 H1 TIP3 7433 27.102 66.490 6.543 1.00 0.00 WT1 H ATOM 21714 H2 TIP3 7433 27.434 67.966 6.593 1.00 0.00 WT1 H ATOM 21715 OH2 TIP3 7434 51.113 43.808 -11.321 1.00 0.00 WT1 O ATOM 21716 H1 TIP3 7434 51.313 44.730 -11.164 1.00 0.00 WT1 H ATOM 21717 H2 TIP3 7434 51.542 43.343 -10.603 1.00 0.00 WT1 H ATOM 21718 OH2 TIP3 7435 47.352 93.207 5.268 1.00 0.00 WT1 O ATOM 21719 H1 TIP3 7435 47.619 94.109 5.090 1.00 0.00 WT1 H ATOM 21720 H2 TIP3 7435 47.638 93.045 6.167 1.00 0.00 WT1 H ATOM 21721 OH2 TIP3 7436 52.634 7.297 41.402 1.00 0.00 WT1 O ATOM 21722 H1 TIP3 7436 51.975 7.565 40.762 1.00 0.00 WT1 H ATOM 21723 H2 TIP3 7436 53.469 7.413 40.948 1.00 0.00 WT1 H ATOM 21724 OH2 TIP3 7437 33.427 10.710 -2.334 1.00 0.00 WT1 O ATOM 21725 H1 TIP3 7437 33.961 11.495 -2.450 1.00 0.00 WT1 H ATOM 21726 H2 TIP3 7437 32.752 10.777 -3.010 1.00 0.00 WT1 H ATOM 21727 OH2 TIP3 7439 29.210 22.650 -10.766 1.00 0.00 WT1 O ATOM 21728 H1 TIP3 7439 28.734 22.097 -10.147 1.00 0.00 WT1 H ATOM 21729 H2 TIP3 7439 29.281 23.497 -10.326 1.00 0.00 WT1 H ATOM 21730 OH2 TIP3 7440 68.983 66.940 -12.188 1.00 0.00 WT1 O ATOM 21731 H1 TIP3 7440 69.220 66.078 -12.531 1.00 0.00 WT1 H ATOM 21732 H2 TIP3 7440 68.256 67.226 -12.740 1.00 0.00 WT1 H ATOM 21733 OH2 TIP3 7441 83.284 37.616 12.852 1.00 0.00 WT1 O ATOM 21734 H1 TIP3 7441 83.615 36.820 12.436 1.00 0.00 WT1 H ATOM 21735 H2 TIP3 7441 83.765 37.673 13.677 1.00 0.00 WT1 H ATOM 21736 OH2 TIP3 7442 53.044 80.118 13.170 1.00 0.00 WT1 O ATOM 21737 H1 TIP3 7442 53.128 80.925 12.661 1.00 0.00 WT1 H ATOM 21738 H2 TIP3 7442 53.772 79.571 12.873 1.00 0.00 WT1 H ATOM 21739 OH2 TIP3 7443 49.944 25.408 -13.288 1.00 0.00 WT1 O ATOM 21740 H1 TIP3 7443 50.897 25.384 -13.378 1.00 0.00 WT1 H ATOM 21741 H2 TIP3 7443 49.776 25.035 -12.422 1.00 0.00 WT1 H ATOM 21742 OH2 TIP3 7445 70.230 50.571 2.150 1.00 0.00 WT1 O ATOM 21743 H1 TIP3 7445 69.346 50.237 2.003 1.00 0.00 WT1 H ATOM 21744 H2 TIP3 7445 70.360 50.499 3.096 1.00 0.00 WT1 H ATOM 21745 OH2 TIP3 7447 39.462 2.847 -13.407 1.00 0.00 WT1 O ATOM 21746 H1 TIP3 7447 39.477 3.047 -12.471 1.00 0.00 WT1 H ATOM 21747 H2 TIP3 7447 39.455 3.702 -13.836 1.00 0.00 WT1 H ATOM 21748 OH2 TIP3 7448 71.932 65.761 29.204 1.00 0.00 WT1 O ATOM 21749 H1 TIP3 7448 71.083 65.662 29.635 1.00 0.00 WT1 H ATOM 21750 H2 TIP3 7448 71.717 65.984 28.298 1.00 0.00 WT1 H ATOM 21751 OH2 TIP3 7450 44.720 80.021 34.635 1.00 0.00 WT1 O ATOM 21752 H1 TIP3 7450 45.395 79.498 34.204 1.00 0.00 WT1 H ATOM 21753 H2 TIP3 7450 43.907 79.540 34.479 1.00 0.00 WT1 H ATOM 21754 OH2 TIP3 7451 22.292 15.315 34.493 1.00 0.00 WT1 O ATOM 21755 H1 TIP3 7451 23.172 15.465 34.838 1.00 0.00 WT1 H ATOM 21756 H2 TIP3 7451 21.707 15.665 35.165 1.00 0.00 WT1 H ATOM 21757 OH2 TIP3 7452 60.921 73.761 39.888 1.00 0.00 WT1 O ATOM 21758 H1 TIP3 7452 60.312 73.127 39.508 1.00 0.00 WT1 H ATOM 21759 H2 TIP3 7452 61.728 73.651 39.386 1.00 0.00 WT1 H ATOM 21760 OH2 TIP3 7454 70.059 55.855 48.524 1.00 0.00 WT1 O ATOM 21761 H1 TIP3 7454 69.573 55.168 48.980 1.00 0.00 WT1 H ATOM 21762 H2 TIP3 7454 69.546 56.029 47.735 1.00 0.00 WT1 H ATOM 21763 OH2 TIP3 7455 35.425 75.902 -17.963 1.00 0.00 WT1 O ATOM 21764 H1 TIP3 7455 34.935 76.410 -17.316 1.00 0.00 WT1 H ATOM 21765 H2 TIP3 7455 34.796 75.740 -18.666 1.00 0.00 WT1 H ATOM 21766 OH2 TIP3 7456 51.645 92.929 10.013 1.00 0.00 WT1 O ATOM 21767 H1 TIP3 7456 51.372 92.067 10.327 1.00 0.00 WT1 H ATOM 21768 H2 TIP3 7456 51.047 93.541 10.443 1.00 0.00 WT1 H ATOM 21769 OH2 TIP3 7457 64.334 80.859 60.720 1.00 0.00 WT1 O ATOM 21770 H1 TIP3 7457 64.825 80.637 59.928 1.00 0.00 WT1 H ATOM 21771 H2 TIP3 7457 63.861 81.660 60.492 1.00 0.00 WT1 H ATOM 21772 OH2 TIP3 7458 84.760 69.579 49.431 1.00 0.00 WT1 O ATOM 21773 H1 TIP3 7458 83.908 69.167 49.574 1.00 0.00 WT1 H ATOM 21774 H2 TIP3 7458 85.393 68.945 49.770 1.00 0.00 WT1 H ATOM 21775 OH2 TIP3 7459 87.986 76.148 51.962 1.00 0.00 WT1 O ATOM 21776 H1 TIP3 7459 88.384 76.978 51.701 1.00 0.00 WT1 H ATOM 21777 H2 TIP3 7459 88.692 75.671 52.400 1.00 0.00 WT1 H ATOM 21778 OH2 TIP3 7461 60.519 40.211 52.154 1.00 0.00 WT1 O ATOM 21779 H1 TIP3 7461 61.433 40.455 52.008 1.00 0.00 WT1 H ATOM 21780 H2 TIP3 7461 60.123 40.987 52.550 1.00 0.00 WT1 H ATOM 21781 OH2 TIP3 7462 24.194 44.002 30.434 1.00 0.00 WT1 O ATOM 21782 H1 TIP3 7462 24.158 44.342 29.540 1.00 0.00 WT1 H ATOM 21783 H2 TIP3 7462 24.094 44.776 30.989 1.00 0.00 WT1 H ATOM 21784 OH2 TIP3 7463 25.250 28.732 35.507 1.00 0.00 WT1 O ATOM 21785 H1 TIP3 7463 24.436 29.025 35.097 1.00 0.00 WT1 H ATOM 21786 H2 TIP3 7463 25.381 27.845 35.172 1.00 0.00 WT1 H ATOM 21787 OH2 TIP3 7464 43.606 43.886 -14.923 1.00 0.00 WT1 O ATOM 21788 H1 TIP3 7464 43.107 44.065 -14.126 1.00 0.00 WT1 H ATOM 21789 H2 TIP3 7464 43.882 44.749 -15.232 1.00 0.00 WT1 H ATOM 21790 OH2 TIP3 7465 46.238 75.782 55.972 1.00 0.00 WT1 O ATOM 21791 H1 TIP3 7465 46.677 75.268 55.294 1.00 0.00 WT1 H ATOM 21792 H2 TIP3 7465 45.652 76.365 55.489 1.00 0.00 WT1 H ATOM 21793 OH2 TIP3 7466 61.192 66.272 27.526 1.00 0.00 WT1 O ATOM 21794 H1 TIP3 7466 60.607 65.861 28.163 1.00 0.00 WT1 H ATOM 21795 H2 TIP3 7466 60.946 65.882 26.688 1.00 0.00 WT1 H ATOM 21796 OH2 TIP3 7467 47.811 43.996 58.519 1.00 0.00 WT1 O ATOM 21797 H1 TIP3 7467 46.936 44.295 58.769 1.00 0.00 WT1 H ATOM 21798 H2 TIP3 7467 48.238 44.776 58.164 1.00 0.00 WT1 H ATOM 21799 OH2 TIP3 7468 21.986 42.245 48.135 1.00 0.00 WT1 O ATOM 21800 H1 TIP3 7468 22.876 42.346 47.796 1.00 0.00 WT1 H ATOM 21801 H2 TIP3 7468 22.103 41.888 49.015 1.00 0.00 WT1 H ATOM 21802 OH2 TIP3 7469 80.918 67.793 54.178 1.00 0.00 WT1 O ATOM 21803 H1 TIP3 7469 81.698 68.058 54.665 1.00 0.00 WT1 H ATOM 21804 H2 TIP3 7469 80.912 68.362 53.407 1.00 0.00 WT1 H ATOM 21805 OH2 TIP3 7470 83.644 68.478 -13.246 1.00 0.00 WT1 O ATOM 21806 H1 TIP3 7470 82.787 68.714 -13.602 1.00 0.00 WT1 H ATOM 21807 H2 TIP3 7470 83.545 67.568 -12.967 1.00 0.00 WT1 H ATOM 21808 OH2 TIP3 7471 36.394 47.969 8.171 1.00 0.00 WT1 O ATOM 21809 H1 TIP3 7471 36.461 48.896 7.943 1.00 0.00 WT1 H ATOM 21810 H2 TIP3 7471 36.925 47.876 8.961 1.00 0.00 WT1 H ATOM 21811 OH2 TIP3 7472 24.256 30.234 32.208 1.00 0.00 WT1 O ATOM 21812 H1 TIP3 7472 23.627 29.943 32.868 1.00 0.00 WT1 H ATOM 21813 H2 TIP3 7472 24.028 29.736 31.423 1.00 0.00 WT1 H ATOM 21814 OH2 TIP3 7473 67.678 23.443 26.826 1.00 0.00 WT1 O ATOM 21815 H1 TIP3 7473 68.431 23.903 26.454 1.00 0.00 WT1 H ATOM 21816 H2 TIP3 7473 66.919 23.845 26.404 1.00 0.00 WT1 H ATOM 21817 OH2 TIP3 7474 67.609 18.640 53.549 1.00 0.00 WT1 O ATOM 21818 H1 TIP3 7474 68.237 19.359 53.607 1.00 0.00 WT1 H ATOM 21819 H2 TIP3 7474 68.032 17.997 52.980 1.00 0.00 WT1 H ATOM 21820 OH2 TIP3 7475 89.091 45.411 6.644 1.00 0.00 WT1 O ATOM 21821 H1 TIP3 7475 89.696 45.836 6.036 1.00 0.00 WT1 H ATOM 21822 H2 TIP3 7475 88.461 44.961 6.081 1.00 0.00 WT1 H ATOM 21823 OH2 TIP3 7476 63.414 71.894 45.762 1.00 0.00 WT1 O ATOM 21824 H1 TIP3 7476 63.955 71.122 45.929 1.00 0.00 WT1 H ATOM 21825 H2 TIP3 7476 63.890 72.381 45.090 1.00 0.00 WT1 H ATOM 21826 OH2 TIP3 7477 67.706 19.806 -7.182 1.00 0.00 WT1 O ATOM 21827 H1 TIP3 7477 67.881 20.425 -7.891 1.00 0.00 WT1 H ATOM 21828 H2 TIP3 7477 68.561 19.651 -6.782 1.00 0.00 WT1 H ATOM 21829 OH2 TIP3 7478 82.826 67.449 11.343 1.00 0.00 WT1 O ATOM 21830 H1 TIP3 7478 82.716 66.837 12.071 1.00 0.00 WT1 H ATOM 21831 H2 TIP3 7478 82.494 66.976 10.580 1.00 0.00 WT1 H ATOM 21832 OH2 TIP3 7479 42.275 87.719 41.291 1.00 0.00 WT1 O ATOM 21833 H1 TIP3 7479 43.040 87.713 41.866 1.00 0.00 WT1 H ATOM 21834 H2 TIP3 7479 41.683 87.071 41.671 1.00 0.00 WT1 H ATOM 21835 OH2 TIP3 7480 31.606 66.726 -11.800 1.00 0.00 WT1 O ATOM 21836 H1 TIP3 7480 30.952 67.288 -11.384 1.00 0.00 WT1 H ATOM 21837 H2 TIP3 7480 32.020 67.286 -12.457 1.00 0.00 WT1 H ATOM 21838 OH2 TIP3 7481 52.858 1.058 48.803 1.00 0.00 WT1 O ATOM 21839 H1 TIP3 7481 53.426 1.567 48.224 1.00 0.00 WT1 H ATOM 21840 H2 TIP3 7481 53.185 1.244 49.684 1.00 0.00 WT1 H ATOM 21841 OH2 TIP3 7483 76.516 18.500 9.164 1.00 0.00 WT1 O ATOM 21842 H1 TIP3 7483 76.879 17.637 8.963 1.00 0.00 WT1 H ATOM 21843 H2 TIP3 7483 75.697 18.315 9.623 1.00 0.00 WT1 H ATOM 21844 OH2 TIP3 7485 53.110 9.420 9.452 1.00 0.00 WT1 O ATOM 21845 H1 TIP3 7485 52.460 8.998 10.014 1.00 0.00 WT1 H ATOM 21846 H2 TIP3 7485 53.106 10.337 9.726 1.00 0.00 WT1 H ATOM 21847 OH2 TIP3 7486 25.210 88.246 24.213 1.00 0.00 WT1 O ATOM 21848 H1 TIP3 7486 26.069 88.098 23.817 1.00 0.00 WT1 H ATOM 21849 H2 TIP3 7486 24.586 88.048 23.515 1.00 0.00 WT1 H ATOM 21850 OH2 TIP3 7487 62.415 78.433 4.161 1.00 0.00 WT1 O ATOM 21851 H1 TIP3 7487 62.602 78.937 4.953 1.00 0.00 WT1 H ATOM 21852 H2 TIP3 7487 62.529 77.520 4.425 1.00 0.00 WT1 H ATOM 21853 OH2 TIP3 7489 26.792 82.344 9.849 1.00 0.00 WT1 O ATOM 21854 H1 TIP3 7489 26.636 82.111 10.764 1.00 0.00 WT1 H ATOM 21855 H2 TIP3 7489 26.171 81.807 9.355 1.00 0.00 WT1 H ATOM 21856 OH2 TIP3 7490 30.505 84.640 62.254 1.00 0.00 WT1 O ATOM 21857 H1 TIP3 7490 30.140 83.830 61.897 1.00 0.00 WT1 H ATOM 21858 H2 TIP3 7490 30.298 84.606 63.188 1.00 0.00 WT1 H ATOM 21859 OH2 TIP3 7491 70.373 74.957 -12.697 1.00 0.00 WT1 O ATOM 21860 H1 TIP3 7491 69.515 75.306 -12.458 1.00 0.00 WT1 H ATOM 21861 H2 TIP3 7491 70.222 74.021 -12.834 1.00 0.00 WT1 H ATOM 21862 OH2 TIP3 7492 82.611 51.561 13.263 1.00 0.00 WT1 O ATOM 21863 H1 TIP3 7492 82.727 52.507 13.171 1.00 0.00 WT1 H ATOM 21864 H2 TIP3 7492 82.533 51.240 12.365 1.00 0.00 WT1 H ATOM 21865 OH2 TIP3 7493 90.458 83.808 32.320 1.00 0.00 WT1 O ATOM 21866 H1 TIP3 7493 90.973 83.136 31.873 1.00 0.00 WT1 H ATOM 21867 H2 TIP3 7493 89.556 83.494 32.267 1.00 0.00 WT1 H ATOM 21868 OH2 TIP3 7494 76.762 16.339 62.601 1.00 0.00 WT1 O ATOM 21869 H1 TIP3 7494 77.417 16.701 62.004 1.00 0.00 WT1 H ATOM 21870 H2 TIP3 7494 77.241 15.691 63.118 1.00 0.00 WT1 H ATOM 21871 OH2 TIP3 7495 64.507 4.402 -10.470 1.00 0.00 WT1 O ATOM 21872 H1 TIP3 7495 65.210 4.188 -9.857 1.00 0.00 WT1 H ATOM 21873 H2 TIP3 7495 63.712 4.390 -9.938 1.00 0.00 WT1 H ATOM 21874 OH2 TIP3 7496 55.093 12.685 63.075 1.00 0.00 WT1 O ATOM 21875 H1 TIP3 7496 54.399 13.111 62.571 1.00 0.00 WT1 H ATOM 21876 H2 TIP3 7496 55.577 12.170 62.430 1.00 0.00 WT1 H ATOM 21877 OH2 TIP3 7497 68.378 79.286 32.343 1.00 0.00 WT1 O ATOM 21878 H1 TIP3 7497 67.620 79.312 32.928 1.00 0.00 WT1 H ATOM 21879 H2 TIP3 7497 68.994 79.915 32.719 1.00 0.00 WT1 H ATOM 21880 OH2 TIP3 7498 23.459 88.932 9.751 1.00 0.00 WT1 O ATOM 21881 H1 TIP3 7498 23.242 88.178 10.299 1.00 0.00 WT1 H ATOM 21882 H2 TIP3 7498 24.374 89.122 9.956 1.00 0.00 WT1 H ATOM 21883 OH2 TIP3 7499 70.843 67.763 9.332 1.00 0.00 WT1 O ATOM 21884 H1 TIP3 7499 70.852 66.809 9.407 1.00 0.00 WT1 H ATOM 21885 H2 TIP3 7499 70.851 67.930 8.389 1.00 0.00 WT1 H ATOM 21886 OH2 TIP3 7500 29.269 94.351 39.253 1.00 0.00 WT1 O ATOM 21887 H1 TIP3 7500 29.243 95.028 38.576 1.00 0.00 WT1 H ATOM 21888 H2 TIP3 7500 30.126 94.457 39.666 1.00 0.00 WT1 H ATOM 21889 OH2 TIP3 7501 81.424 65.087 0.632 1.00 0.00 WT1 O ATOM 21890 H1 TIP3 7501 81.743 64.185 0.590 1.00 0.00 WT1 H ATOM 21891 H2 TIP3 7501 81.405 65.377 -0.280 1.00 0.00 WT1 H ATOM 21892 OH2 TIP3 7502 70.333 75.801 -1.977 1.00 0.00 WT1 O ATOM 21893 H1 TIP3 7502 69.967 76.204 -1.190 1.00 0.00 WT1 H ATOM 21894 H2 TIP3 7502 70.285 76.486 -2.643 1.00 0.00 WT1 H ATOM 21895 OH2 TIP3 7503 44.779 84.653 37.178 1.00 0.00 WT1 O ATOM 21896 H1 TIP3 7503 44.152 83.971 37.419 1.00 0.00 WT1 H ATOM 21897 H2 TIP3 7503 45.628 84.305 37.450 1.00 0.00 WT1 H ATOM 21898 OH2 TIP3 7504 55.829 26.022 22.255 1.00 0.00 WT1 O ATOM 21899 H1 TIP3 7504 56.667 26.010 22.718 1.00 0.00 WT1 H ATOM 21900 H2 TIP3 7504 55.774 26.903 21.884 1.00 0.00 WT1 H ATOM 21901 OH2 TIP3 7505 54.233 46.955 66.775 1.00 0.00 WT1 O ATOM 21902 H1 TIP3 7505 54.559 47.544 67.455 1.00 0.00 WT1 H ATOM 21903 H2 TIP3 7505 53.438 47.379 66.451 1.00 0.00 WT1 H ATOM 21904 OH2 TIP3 7506 56.741 91.529 47.237 1.00 0.00 WT1 O ATOM 21905 H1 TIP3 7506 57.220 91.624 46.414 1.00 0.00 WT1 H ATOM 21906 H2 TIP3 7506 57.138 90.767 47.660 1.00 0.00 WT1 H ATOM 21907 OH2 TIP3 7507 22.014 0.952 17.069 1.00 0.00 WT1 O ATOM 21908 H1 TIP3 7507 21.599 0.767 17.912 1.00 0.00 WT1 H ATOM 21909 H2 TIP3 7507 22.896 0.589 17.151 1.00 0.00 WT1 H ATOM 21910 OH2 TIP3 7508 54.956 5.186 18.790 1.00 0.00 WT1 O ATOM 21911 H1 TIP3 7508 54.211 5.228 18.190 1.00 0.00 WT1 H ATOM 21912 H2 TIP3 7508 54.811 5.908 19.402 1.00 0.00 WT1 H ATOM 21913 OH2 TIP3 7509 66.657 52.017 12.457 1.00 0.00 WT1 O ATOM 21914 H1 TIP3 7509 66.262 51.147 12.413 1.00 0.00 WT1 H ATOM 21915 H2 TIP3 7509 65.916 52.612 12.574 1.00 0.00 WT1 H ATOM 21916 OH2 TIP3 7510 26.743 72.792 -9.562 1.00 0.00 WT1 O ATOM 21917 H1 TIP3 7510 26.139 72.909 -10.296 1.00 0.00 WT1 H ATOM 21918 H2 TIP3 7510 26.735 73.634 -9.107 1.00 0.00 WT1 H ATOM 21919 OH2 TIP3 7511 36.462 80.475 48.975 1.00 0.00 WT1 O ATOM 21920 H1 TIP3 7511 36.924 81.081 48.396 1.00 0.00 WT1 H ATOM 21921 H2 TIP3 7511 35.618 80.896 49.138 1.00 0.00 WT1 H ATOM 21922 OH2 TIP3 7512 63.845 63.370 34.361 1.00 0.00 WT1 O ATOM 21923 H1 TIP3 7512 63.126 63.594 33.769 1.00 0.00 WT1 H ATOM 21924 H2 TIP3 7512 63.468 62.732 34.966 1.00 0.00 WT1 H ATOM 21925 OH2 TIP3 7513 48.131 85.947 52.599 1.00 0.00 WT1 O ATOM 21926 H1 TIP3 7513 48.649 85.224 52.951 1.00 0.00 WT1 H ATOM 21927 H2 TIP3 7513 47.418 86.060 53.228 1.00 0.00 WT1 H ATOM 21928 OH2 TIP3 7514 22.044 48.458 55.797 1.00 0.00 WT1 O ATOM 21929 H1 TIP3 7514 21.106 48.268 55.772 1.00 0.00 WT1 H ATOM 21930 H2 TIP3 7514 22.465 47.602 55.710 1.00 0.00 WT1 H ATOM 21931 OH2 TIP3 7515 20.833 55.941 12.204 1.00 0.00 WT1 O ATOM 21932 H1 TIP3 7515 21.133 55.079 12.494 1.00 0.00 WT1 H ATOM 21933 H2 TIP3 7515 19.968 55.780 11.827 1.00 0.00 WT1 H ATOM 21934 OH2 TIP3 7516 36.767 87.431 -16.177 1.00 0.00 WT1 O ATOM 21935 H1 TIP3 7516 37.636 87.082 -16.376 1.00 0.00 WT1 H ATOM 21936 H2 TIP3 7516 36.891 87.943 -15.378 1.00 0.00 WT1 H ATOM 21937 OH2 TIP3 7517 46.590 34.971 57.296 1.00 0.00 WT1 O ATOM 21938 H1 TIP3 7517 47.544 34.976 57.377 1.00 0.00 WT1 H ATOM 21939 H2 TIP3 7517 46.277 35.323 58.129 1.00 0.00 WT1 H ATOM 21940 OH2 TIP3 7518 67.917 42.884 37.545 1.00 0.00 WT1 O ATOM 21941 H1 TIP3 7518 67.355 43.491 37.064 1.00 0.00 WT1 H ATOM 21942 H2 TIP3 7518 68.391 43.436 38.166 1.00 0.00 WT1 H ATOM 21943 OH2 TIP3 7519 84.486 4.528 -7.339 1.00 0.00 WT1 O ATOM 21944 H1 TIP3 7519 84.238 5.098 -6.612 1.00 0.00 WT1 H ATOM 21945 H2 TIP3 7519 83.843 3.819 -7.318 1.00 0.00 WT1 H ATOM 21946 OH2 TIP3 7520 85.726 93.313 27.397 1.00 0.00 WT1 O ATOM 21947 H1 TIP3 7520 85.046 93.087 28.031 1.00 0.00 WT1 H ATOM 21948 H2 TIP3 7520 85.452 94.159 27.042 1.00 0.00 WT1 H ATOM 21949 OH2 TIP3 7521 59.237 51.015 49.588 1.00 0.00 WT1 O ATOM 21950 H1 TIP3 7521 59.141 50.874 50.529 1.00 0.00 WT1 H ATOM 21951 H2 TIP3 7521 60.099 51.421 49.493 1.00 0.00 WT1 H ATOM 21952 OH2 TIP3 7522 83.724 49.612 -16.482 1.00 0.00 WT1 O ATOM 21953 H1 TIP3 7522 83.366 50.500 -16.491 1.00 0.00 WT1 H ATOM 21954 H2 TIP3 7522 83.604 49.295 -17.377 1.00 0.00 WT1 H ATOM 21955 OH2 TIP3 7523 41.631 30.804 1.250 1.00 0.00 WT1 O ATOM 21956 H1 TIP3 7523 42.260 31.215 1.844 1.00 0.00 WT1 H ATOM 21957 H2 TIP3 7523 42.018 30.910 0.381 1.00 0.00 WT1 H ATOM 21958 OH2 TIP3 7524 62.893 65.034 64.241 1.00 0.00 WT1 O ATOM 21959 H1 TIP3 7524 63.520 65.662 64.598 1.00 0.00 WT1 H ATOM 21960 H2 TIP3 7524 63.395 64.532 63.599 1.00 0.00 WT1 H ATOM 21961 OH2 TIP3 7525 63.641 23.710 10.898 1.00 0.00 WT1 O ATOM 21962 H1 TIP3 7525 63.386 24.469 11.423 1.00 0.00 WT1 H ATOM 21963 H2 TIP3 7525 62.829 23.218 10.777 1.00 0.00 WT1 H ATOM 21964 OH2 TIP3 7526 22.696 30.498 50.789 1.00 0.00 WT1 O ATOM 21965 H1 TIP3 7526 21.856 30.059 50.652 1.00 0.00 WT1 H ATOM 21966 H2 TIP3 7526 22.724 31.178 50.115 1.00 0.00 WT1 H ATOM 21967 OH2 TIP3 7527 71.096 91.802 31.468 1.00 0.00 WT1 O ATOM 21968 H1 TIP3 7527 71.314 92.265 32.278 1.00 0.00 WT1 H ATOM 21969 H2 TIP3 7527 70.142 91.852 31.412 1.00 0.00 WT1 H ATOM 21970 OH2 TIP3 7529 31.527 24.026 5.530 1.00 0.00 WT1 O ATOM 21971 H1 TIP3 7529 31.303 24.104 6.457 1.00 0.00 WT1 H ATOM 21972 H2 TIP3 7529 31.461 24.919 5.191 1.00 0.00 WT1 H ATOM 21973 OH2 TIP3 7530 37.244 9.973 -2.723 1.00 0.00 WT1 O ATOM 21974 H1 TIP3 7530 36.700 9.684 -3.456 1.00 0.00 WT1 H ATOM 21975 H2 TIP3 7530 36.837 9.580 -1.951 1.00 0.00 WT1 H ATOM 21976 OH2 TIP3 7531 68.059 92.130 22.242 1.00 0.00 WT1 O ATOM 21977 H1 TIP3 7531 67.394 91.682 22.765 1.00 0.00 WT1 H ATOM 21978 H2 TIP3 7531 68.235 91.532 21.515 1.00 0.00 WT1 H ATOM 21979 OH2 TIP3 7532 41.899 77.391 -0.903 1.00 0.00 WT1 O ATOM 21980 H1 TIP3 7532 42.491 77.198 -1.630 1.00 0.00 WT1 H ATOM 21981 H2 TIP3 7532 42.163 76.784 -0.211 1.00 0.00 WT1 H ATOM 21982 OH2 TIP3 7534 76.418 35.158 37.604 1.00 0.00 WT1 O ATOM 21983 H1 TIP3 7534 77.337 35.234 37.860 1.00 0.00 WT1 H ATOM 21984 H2 TIP3 7534 76.036 36.007 37.828 1.00 0.00 WT1 H ATOM 21985 OH2 TIP3 7535 22.670 59.757 19.653 1.00 0.00 WT1 O ATOM 21986 H1 TIP3 7535 23.354 59.512 20.276 1.00 0.00 WT1 H ATOM 21987 H2 TIP3 7535 21.889 59.298 19.961 1.00 0.00 WT1 H ATOM 21988 OH2 TIP3 7536 73.518 35.704 40.219 1.00 0.00 WT1 O ATOM 21989 H1 TIP3 7536 73.988 36.260 39.597 1.00 0.00 WT1 H ATOM 21990 H2 TIP3 7536 74.164 35.054 40.495 1.00 0.00 WT1 H ATOM 21991 OH2 TIP3 7537 70.211 26.171 -18.493 1.00 0.00 WT1 O ATOM 21992 H1 TIP3 7537 70.888 25.506 -18.371 1.00 0.00 WT1 H ATOM 21993 H2 TIP3 7537 70.382 26.529 -19.365 1.00 0.00 WT1 H ATOM 21994 OH2 TIP3 7538 51.102 93.191 26.012 1.00 0.00 WT1 O ATOM 21995 H1 TIP3 7538 50.488 93.754 25.541 1.00 0.00 WT1 H ATOM 21996 H2 TIP3 7538 51.040 93.478 26.923 1.00 0.00 WT1 H ATOM 21997 OH2 TIP3 7539 62.244 86.926 32.390 1.00 0.00 WT1 O ATOM 21998 H1 TIP3 7539 62.433 86.582 33.263 1.00 0.00 WT1 H ATOM 21999 H2 TIP3 7539 61.690 86.259 31.984 1.00 0.00 WT1 H ATOM 22000 OH2 TIP3 7540 71.637 81.981 28.552 1.00 0.00 WT1 O ATOM 22001 H1 TIP3 7540 72.032 81.575 27.780 1.00 0.00 WT1 H ATOM 22002 H2 TIP3 7540 70.845 81.469 28.714 1.00 0.00 WT1 H ATOM 22003 OH2 TIP3 7541 82.211 48.498 42.677 1.00 0.00 WT1 O ATOM 22004 H1 TIP3 7541 81.289 48.714 42.818 1.00 0.00 WT1 H ATOM 22005 H2 TIP3 7541 82.483 49.066 41.956 1.00 0.00 WT1 H ATOM 22006 OH2 TIP3 7542 33.245 76.864 -7.253 1.00 0.00 WT1 O ATOM 22007 H1 TIP3 7542 32.296 76.752 -7.212 1.00 0.00 WT1 H ATOM 22008 H2 TIP3 7542 33.436 76.956 -8.187 1.00 0.00 WT1 H ATOM 22009 OH2 TIP3 7543 50.419 71.237 10.305 1.00 0.00 WT1 O ATOM 22010 H1 TIP3 7543 50.089 71.316 11.200 1.00 0.00 WT1 H ATOM 22011 H2 TIP3 7543 51.222 70.723 10.390 1.00 0.00 WT1 H ATOM 22012 OH2 TIP3 7544 82.341 18.797 57.386 1.00 0.00 WT1 O ATOM 22013 H1 TIP3 7544 81.589 18.248 57.164 1.00 0.00 WT1 H ATOM 22014 H2 TIP3 7544 82.156 19.638 56.967 1.00 0.00 WT1 H ATOM 22015 OH2 TIP3 7545 82.902 72.361 43.731 1.00 0.00 WT1 O ATOM 22016 H1 TIP3 7545 83.147 72.088 42.846 1.00 0.00 WT1 H ATOM 22017 H2 TIP3 7545 82.894 73.317 43.693 1.00 0.00 WT1 H ATOM 22018 OH2 TIP3 7546 76.000 48.630 -1.443 1.00 0.00 WT1 O ATOM 22019 H1 TIP3 7546 75.097 48.905 -1.602 1.00 0.00 WT1 H ATOM 22020 H2 TIP3 7546 76.127 48.753 -0.503 1.00 0.00 WT1 H ATOM 22021 OH2 TIP3 7547 51.157 48.202 41.001 1.00 0.00 WT1 O ATOM 22022 H1 TIP3 7547 51.157 48.307 41.952 1.00 0.00 WT1 H ATOM 22023 H2 TIP3 7547 50.259 47.947 40.787 1.00 0.00 WT1 H ATOM 22024 OH2 TIP3 7548 69.272 64.066 29.502 1.00 0.00 WT1 O ATOM 22025 H1 TIP3 7548 69.030 63.154 29.662 1.00 0.00 WT1 H ATOM 22026 H2 TIP3 7548 68.446 64.499 29.288 1.00 0.00 WT1 H ATOM 22027 OH2 TIP3 7549 66.800 44.874 5.485 1.00 0.00 WT1 O ATOM 22028 H1 TIP3 7549 65.950 44.873 5.044 1.00 0.00 WT1 H ATOM 22029 H2 TIP3 7549 66.627 45.270 6.339 1.00 0.00 WT1 H ATOM 22030 OH2 TIP3 7550 90.568 26.761 53.839 1.00 0.00 WT1 O ATOM 22031 H1 TIP3 7550 90.329 26.007 54.377 1.00 0.00 WT1 H ATOM 22032 H2 TIP3 7550 90.436 26.466 52.938 1.00 0.00 WT1 H ATOM 22033 OH2 TIP3 7551 27.172 91.619 26.287 1.00 0.00 WT1 O ATOM 22034 H1 TIP3 7551 26.369 91.628 25.765 1.00 0.00 WT1 H ATOM 22035 H2 TIP3 7551 27.375 90.690 26.398 1.00 0.00 WT1 H ATOM 22036 OH2 TIP3 7552 90.470 73.148 27.302 1.00 0.00 WT1 O ATOM 22037 H1 TIP3 7552 90.605 72.631 26.509 1.00 0.00 WT1 H ATOM 22038 H2 TIP3 7552 89.875 73.849 27.034 1.00 0.00 WT1 H ATOM 22039 OH2 TIP3 7553 38.481 90.920 61.451 1.00 0.00 WT1 O ATOM 22040 H1 TIP3 7553 37.625 90.688 61.812 1.00 0.00 WT1 H ATOM 22041 H2 TIP3 7553 38.758 90.140 60.971 1.00 0.00 WT1 H ATOM 22042 OH2 TIP3 7554 45.204 52.075 65.022 1.00 0.00 WT1 O ATOM 22043 H1 TIP3 7554 45.897 52.621 65.392 1.00 0.00 WT1 H ATOM 22044 H2 TIP3 7554 44.405 52.590 65.135 1.00 0.00 WT1 H ATOM 22045 OH2 TIP3 7555 79.084 45.034 61.199 1.00 0.00 WT1 O ATOM 22046 H1 TIP3 7555 78.255 45.417 60.910 1.00 0.00 WT1 H ATOM 22047 H2 TIP3 7555 79.564 44.863 60.389 1.00 0.00 WT1 H ATOM 22048 OH2 TIP3 7556 24.138 88.708 50.018 1.00 0.00 WT1 O ATOM 22049 H1 TIP3 7556 23.550 89.393 49.700 1.00 0.00 WT1 H ATOM 22050 H2 TIP3 7556 25.006 88.979 49.720 1.00 0.00 WT1 H ATOM 22051 OH2 TIP3 7557 83.987 30.072 -2.993 1.00 0.00 WT1 O ATOM 22052 H1 TIP3 7557 83.575 30.203 -2.138 1.00 0.00 WT1 H ATOM 22053 H2 TIP3 7557 84.567 29.321 -2.867 1.00 0.00 WT1 H ATOM 22054 OH2 TIP3 7558 64.308 5.142 33.881 1.00 0.00 WT1 O ATOM 22055 H1 TIP3 7558 64.387 4.730 33.020 1.00 0.00 WT1 H ATOM 22056 H2 TIP3 7558 63.752 5.906 33.731 1.00 0.00 WT1 H ATOM 22057 OH2 TIP3 7559 75.202 48.127 4.084 1.00 0.00 WT1 O ATOM 22058 H1 TIP3 7559 74.979 47.631 3.296 1.00 0.00 WT1 H ATOM 22059 H2 TIP3 7559 76.086 47.836 4.307 1.00 0.00 WT1 H ATOM 22060 OH2 TIP3 7560 60.545 89.957 51.371 1.00 0.00 WT1 O ATOM 22061 H1 TIP3 7560 61.404 90.371 51.452 1.00 0.00 WT1 H ATOM 22062 H2 TIP3 7560 60.050 90.541 50.797 1.00 0.00 WT1 H ATOM 22063 OH2 TIP3 7561 58.714 24.068 55.728 1.00 0.00 WT1 O ATOM 22064 H1 TIP3 7561 58.038 24.504 56.246 1.00 0.00 WT1 H ATOM 22065 H2 TIP3 7561 58.601 24.416 54.844 1.00 0.00 WT1 H ATOM 22066 OH2 TIP3 7562 45.229 10.660 46.112 1.00 0.00 WT1 O ATOM 22067 H1 TIP3 7562 44.456 10.192 46.430 1.00 0.00 WT1 H ATOM 22068 H2 TIP3 7562 45.368 10.320 45.228 1.00 0.00 WT1 H ATOM 22069 OH2 TIP3 7563 20.075 81.707 7.626 1.00 0.00 WT1 O ATOM 22070 H1 TIP3 7563 20.499 82.270 6.978 1.00 0.00 WT1 H ATOM 22071 H2 TIP3 7563 20.799 81.302 8.103 1.00 0.00 WT1 H ATOM 22072 OH2 TIP3 7564 78.034 56.960 -9.896 1.00 0.00 WT1 O ATOM 22073 H1 TIP3 7564 77.431 56.332 -10.293 1.00 0.00 WT1 H ATOM 22074 H2 TIP3 7564 77.479 57.508 -9.341 1.00 0.00 WT1 H ATOM 22075 OH2 TIP3 7565 64.739 62.274 55.692 1.00 0.00 WT1 O ATOM 22076 H1 TIP3 7565 64.975 62.716 56.508 1.00 0.00 WT1 H ATOM 22077 H2 TIP3 7565 65.172 61.422 55.747 1.00 0.00 WT1 H ATOM 22078 OH2 TIP3 7566 21.882 50.080 -15.742 1.00 0.00 WT1 O ATOM 22079 H1 TIP3 7566 22.632 49.494 -15.634 1.00 0.00 WT1 H ATOM 22080 H2 TIP3 7566 21.390 49.709 -16.473 1.00 0.00 WT1 H ATOM 22081 OH2 TIP3 7567 57.608 13.169 11.900 1.00 0.00 WT1 O ATOM 22082 H1 TIP3 7567 58.232 12.741 11.314 1.00 0.00 WT1 H ATOM 22083 H2 TIP3 7567 57.871 14.089 11.901 1.00 0.00 WT1 H ATOM 22084 OH2 TIP3 7568 32.291 79.579 -5.175 1.00 0.00 WT1 O ATOM 22085 H1 TIP3 7568 31.785 79.037 -5.780 1.00 0.00 WT1 H ATOM 22086 H2 TIP3 7568 32.994 79.005 -4.870 1.00 0.00 WT1 H ATOM 22087 OH2 TIP3 7569 68.501 61.840 48.901 1.00 0.00 WT1 O ATOM 22088 H1 TIP3 7569 67.724 61.560 49.384 1.00 0.00 WT1 H ATOM 22089 H2 TIP3 7569 68.305 62.738 48.631 1.00 0.00 WT1 H ATOM 22090 OH2 TIP3 7570 33.235 3.349 29.621 1.00 0.00 WT1 O ATOM 22091 H1 TIP3 7570 32.421 3.833 29.757 1.00 0.00 WT1 H ATOM 22092 H2 TIP3 7570 33.599 3.713 28.813 1.00 0.00 WT1 H ATOM 22093 OH2 TIP3 7571 35.493 75.786 33.098 1.00 0.00 WT1 O ATOM 22094 H1 TIP3 7571 35.304 75.096 32.463 1.00 0.00 WT1 H ATOM 22095 H2 TIP3 7571 36.397 75.623 33.368 1.00 0.00 WT1 H ATOM 22096 OH2 TIP3 7572 85.159 81.983 65.600 1.00 0.00 WT1 O ATOM 22097 H1 TIP3 7572 85.619 82.346 66.357 1.00 0.00 WT1 H ATOM 22098 H2 TIP3 7572 84.234 82.007 65.846 1.00 0.00 WT1 H ATOM 22099 OH2 TIP3 7573 31.044 21.034 11.240 1.00 0.00 WT1 O ATOM 22100 H1 TIP3 7573 31.760 20.411 11.362 1.00 0.00 WT1 H ATOM 22101 H2 TIP3 7573 30.601 20.739 10.444 1.00 0.00 WT1 H ATOM 22102 OH2 TIP3 7574 51.182 77.651 -4.132 1.00 0.00 WT1 O ATOM 22103 H1 TIP3 7574 51.577 77.633 -3.260 1.00 0.00 WT1 H ATOM 22104 H2 TIP3 7574 51.916 77.812 -4.724 1.00 0.00 WT1 H ATOM 22105 OH2 TIP3 7575 53.312 74.637 63.374 1.00 0.00 WT1 O ATOM 22106 H1 TIP3 7575 52.487 74.602 62.889 1.00 0.00 WT1 H ATOM 22107 H2 TIP3 7575 53.095 75.102 64.182 1.00 0.00 WT1 H ATOM 22108 OH2 TIP3 7576 59.494 59.480 -5.264 1.00 0.00 WT1 O ATOM 22109 H1 TIP3 7576 58.640 59.056 -5.184 1.00 0.00 WT1 H ATOM 22110 H2 TIP3 7576 59.420 60.271 -4.729 1.00 0.00 WT1 H ATOM 22111 OH2 TIP3 7577 55.721 43.186 52.706 1.00 0.00 WT1 O ATOM 22112 H1 TIP3 7577 55.007 43.743 52.395 1.00 0.00 WT1 H ATOM 22113 H2 TIP3 7577 56.404 43.279 52.043 1.00 0.00 WT1 H ATOM 22114 OH2 TIP3 7578 63.700 19.771 2.771 1.00 0.00 WT1 O ATOM 22115 H1 TIP3 7578 64.222 19.898 3.563 1.00 0.00 WT1 H ATOM 22116 H2 TIP3 7578 63.121 20.533 2.742 1.00 0.00 WT1 H ATOM 22117 OH2 TIP3 7579 20.509 30.841 62.079 1.00 0.00 WT1 O ATOM 22118 H1 TIP3 7579 21.012 30.136 62.488 1.00 0.00 WT1 H ATOM 22119 H2 TIP3 7579 20.033 31.247 62.804 1.00 0.00 WT1 H ATOM 22120 OH2 TIP3 7580 77.511 4.762 -14.577 1.00 0.00 WT1 O ATOM 22121 H1 TIP3 7580 77.113 4.387 -13.791 1.00 0.00 WT1 H ATOM 22122 H2 TIP3 7580 78.451 4.749 -14.399 1.00 0.00 WT1 H ATOM 22123 OH2 TIP3 7581 78.630 86.620 49.648 1.00 0.00 WT1 O ATOM 22124 H1 TIP3 7581 79.209 85.936 49.985 1.00 0.00 WT1 H ATOM 22125 H2 TIP3 7581 79.162 87.415 49.669 1.00 0.00 WT1 H ATOM 22126 OH2 TIP3 7582 23.122 33.499 52.233 1.00 0.00 WT1 O ATOM 22127 H1 TIP3 7582 23.021 33.999 51.422 1.00 0.00 WT1 H ATOM 22128 H2 TIP3 7582 23.729 32.795 52.006 1.00 0.00 WT1 H ATOM 22129 OH2 TIP3 7584 22.056 41.448 28.472 1.00 0.00 WT1 O ATOM 22130 H1 TIP3 7584 21.126 41.303 28.294 1.00 0.00 WT1 H ATOM 22131 H2 TIP3 7584 22.250 42.291 28.062 1.00 0.00 WT1 H ATOM 22132 OH2 TIP3 7585 78.372 35.324 50.762 1.00 0.00 WT1 O ATOM 22133 H1 TIP3 7585 77.493 35.645 50.966 1.00 0.00 WT1 H ATOM 22134 H2 TIP3 7585 78.403 35.303 49.806 1.00 0.00 WT1 H ATOM 22135 OH2 TIP3 7586 32.058 84.218 21.947 1.00 0.00 WT1 O ATOM 22136 H1 TIP3 7586 31.743 83.330 21.779 1.00 0.00 WT1 H ATOM 22137 H2 TIP3 7586 32.736 84.110 22.615 1.00 0.00 WT1 H ATOM 22138 OH2 TIP3 7587 43.175 96.409 62.986 1.00 0.00 WT1 O ATOM 22139 H1 TIP3 7587 43.701 95.772 62.502 1.00 0.00 WT1 H ATOM 22140 H2 TIP3 7587 42.452 96.621 62.396 1.00 0.00 WT1 H ATOM 22141 OH2 TIP3 7588 87.709 65.696 -3.463 1.00 0.00 WT1 O ATOM 22142 H1 TIP3 7588 87.492 64.943 -2.914 1.00 0.00 WT1 H ATOM 22143 H2 TIP3 7588 87.030 65.706 -4.138 1.00 0.00 WT1 H ATOM 22144 OH2 TIP3 7589 67.055 36.589 22.941 1.00 0.00 WT1 O ATOM 22145 H1 TIP3 7589 67.527 36.256 22.177 1.00 0.00 WT1 H ATOM 22146 H2 TIP3 7589 66.185 36.808 22.609 1.00 0.00 WT1 H ATOM 22147 OH2 TIP3 7590 65.625 27.141 19.223 1.00 0.00 WT1 O ATOM 22148 H1 TIP3 7590 66.211 27.840 18.934 1.00 0.00 WT1 H ATOM 22149 H2 TIP3 7590 64.962 27.585 19.751 1.00 0.00 WT1 H ATOM 22150 OH2 TIP3 7591 85.880 89.354 18.728 1.00 0.00 WT1 O ATOM 22151 H1 TIP3 7591 85.013 89.062 18.447 1.00 0.00 WT1 H ATOM 22152 H2 TIP3 7591 86.267 89.746 17.944 1.00 0.00 WT1 H ATOM 22153 OH2 TIP3 7592 72.128 7.109 -13.395 1.00 0.00 WT1 O ATOM 22154 H1 TIP3 7592 72.757 7.444 -12.756 1.00 0.00 WT1 H ATOM 22155 H2 TIP3 7592 72.494 7.355 -14.245 1.00 0.00 WT1 H ATOM 22156 OH2 TIP3 7593 33.353 19.486 11.749 1.00 0.00 WT1 O ATOM 22157 H1 TIP3 7593 33.682 18.590 11.823 1.00 0.00 WT1 H ATOM 22158 H2 TIP3 7593 33.822 19.971 12.428 1.00 0.00 WT1 H ATOM 22159 OH2 TIP3 7594 55.267 3.612 35.080 1.00 0.00 WT1 O ATOM 22160 H1 TIP3 7594 55.183 3.875 34.164 1.00 0.00 WT1 H ATOM 22161 H2 TIP3 7594 54.420 3.828 35.470 1.00 0.00 WT1 H ATOM 22162 OH2 TIP3 7595 38.356 47.164 50.803 1.00 0.00 WT1 O ATOM 22163 H1 TIP3 7595 37.486 47.433 50.507 1.00 0.00 WT1 H ATOM 22164 H2 TIP3 7595 38.885 47.960 50.750 1.00 0.00 WT1 H ATOM 22165 OH2 TIP3 7596 28.001 80.863 44.327 1.00 0.00 WT1 O ATOM 22166 H1 TIP3 7596 28.539 81.042 45.098 1.00 0.00 WT1 H ATOM 22167 H2 TIP3 7596 28.480 81.263 43.602 1.00 0.00 WT1 H ATOM 22168 OH2 TIP3 7597 48.118 93.415 27.540 1.00 0.00 WT1 O ATOM 22169 H1 TIP3 7597 47.593 92.648 27.765 1.00 0.00 WT1 H ATOM 22170 H2 TIP3 7597 47.850 93.636 26.647 1.00 0.00 WT1 H ATOM 22171 OH2 TIP3 7598 55.157 64.798 -14.260 1.00 0.00 WT1 O ATOM 22172 H1 TIP3 7598 54.221 64.953 -14.133 1.00 0.00 WT1 H ATOM 22173 H2 TIP3 7598 55.267 63.859 -14.111 1.00 0.00 WT1 H ATOM 22174 OH2 TIP3 7599 51.786 5.025 42.541 1.00 0.00 WT1 O ATOM 22175 H1 TIP3 7599 52.540 4.512 42.833 1.00 0.00 WT1 H ATOM 22176 H2 TIP3 7599 52.118 5.920 42.469 1.00 0.00 WT1 H ATOM 22177 OH2 TIP3 7600 31.687 43.651 10.219 1.00 0.00 WT1 O ATOM 22178 H1 TIP3 7600 31.181 43.013 9.715 1.00 0.00 WT1 H ATOM 22179 H2 TIP3 7600 31.600 44.467 9.727 1.00 0.00 WT1 H ATOM 22180 OH2 TIP3 7601 85.275 62.216 8.170 1.00 0.00 WT1 O ATOM 22181 H1 TIP3 7601 84.566 61.573 8.156 1.00 0.00 WT1 H ATOM 22182 H2 TIP3 7601 85.593 62.241 7.268 1.00 0.00 WT1 H ATOM 22183 OH2 TIP3 7602 59.834 48.550 -19.605 1.00 0.00 WT1 O ATOM 22184 H1 TIP3 7602 60.234 49.096 -20.282 1.00 0.00 WT1 H ATOM 22185 H2 TIP3 7602 60.389 48.677 -18.836 1.00 0.00 WT1 H ATOM 22186 OH2 TIP3 7603 48.217 23.716 -3.706 1.00 0.00 WT1 O ATOM 22187 H1 TIP3 7603 48.276 22.809 -3.403 1.00 0.00 WT1 H ATOM 22188 H2 TIP3 7603 48.305 24.240 -2.910 1.00 0.00 WT1 H ATOM 22189 OH2 TIP3 7604 70.339 83.096 2.094 1.00 0.00 WT1 O ATOM 22190 H1 TIP3 7604 69.886 83.591 1.410 1.00 0.00 WT1 H ATOM 22191 H2 TIP3 7604 71.262 83.319 1.979 1.00 0.00 WT1 H ATOM 22192 OH2 TIP3 7605 65.094 14.749 45.101 1.00 0.00 WT1 O ATOM 22193 H1 TIP3 7605 65.144 15.692 45.258 1.00 0.00 WT1 H ATOM 22194 H2 TIP3 7605 65.656 14.364 45.773 1.00 0.00 WT1 H ATOM 22195 OH2 TIP3 7606 59.069 33.711 27.268 1.00 0.00 WT1 O ATOM 22196 H1 TIP3 7606 59.202 33.283 26.422 1.00 0.00 WT1 H ATOM 22197 H2 TIP3 7606 59.524 34.549 27.187 1.00 0.00 WT1 H ATOM 22198 OH2 TIP3 7608 71.500 3.881 34.466 1.00 0.00 WT1 O ATOM 22199 H1 TIP3 7608 71.360 2.956 34.669 1.00 0.00 WT1 H ATOM 22200 H2 TIP3 7608 71.207 3.974 33.559 1.00 0.00 WT1 H ATOM 22201 OH2 TIP3 7609 57.709 94.583 64.524 1.00 0.00 WT1 O ATOM 22202 H1 TIP3 7609 57.011 94.286 65.108 1.00 0.00 WT1 H ATOM 22203 H2 TIP3 7609 58.126 95.304 64.996 1.00 0.00 WT1 H ATOM 22204 OH2 TIP3 7610 50.825 21.891 -9.934 1.00 0.00 WT1 O ATOM 22205 H1 TIP3 7610 50.873 21.575 -10.836 1.00 0.00 WT1 H ATOM 22206 H2 TIP3 7610 50.427 21.169 -9.448 1.00 0.00 WT1 H ATOM 22207 OH2 TIP3 7611 54.733 80.713 -3.434 1.00 0.00 WT1 O ATOM 22208 H1 TIP3 7611 53.935 81.188 -3.664 1.00 0.00 WT1 H ATOM 22209 H2 TIP3 7611 54.626 79.853 -3.840 1.00 0.00 WT1 H ATOM 22210 OH2 TIP3 7612 50.034 11.841 2.375 1.00 0.00 WT1 O ATOM 22211 H1 TIP3 7612 49.115 11.748 2.627 1.00 0.00 WT1 H ATOM 22212 H2 TIP3 7612 50.245 12.754 2.570 1.00 0.00 WT1 H ATOM 22213 OH2 TIP3 7613 22.660 33.743 23.592 1.00 0.00 WT1 O ATOM 22214 H1 TIP3 7613 22.038 33.595 22.880 1.00 0.00 WT1 H ATOM 22215 H2 TIP3 7613 23.380 34.226 23.186 1.00 0.00 WT1 H ATOM 22216 OH2 TIP3 7614 40.864 80.916 39.465 1.00 0.00 WT1 O ATOM 22217 H1 TIP3 7614 41.106 81.177 38.577 1.00 0.00 WT1 H ATOM 22218 H2 TIP3 7614 40.927 79.961 39.460 1.00 0.00 WT1 H ATOM 22219 OH2 TIP3 7615 74.377 94.590 1.486 1.00 0.00 WT1 O ATOM 22220 H1 TIP3 7615 73.969 95.221 2.079 1.00 0.00 WT1 H ATOM 22221 H2 TIP3 7615 74.246 93.742 1.910 1.00 0.00 WT1 H ATOM 22222 OH2 TIP3 7616 83.353 45.273 -11.352 1.00 0.00 WT1 O ATOM 22223 H1 TIP3 7616 83.117 45.268 -12.279 1.00 0.00 WT1 H ATOM 22224 H2 TIP3 7616 83.072 46.132 -11.037 1.00 0.00 WT1 H ATOM 22225 OH2 TIP3 7617 81.964 78.195 0.267 1.00 0.00 WT1 O ATOM 22226 H1 TIP3 7617 81.317 77.938 -0.390 1.00 0.00 WT1 H ATOM 22227 H2 TIP3 7617 81.463 78.690 0.915 1.00 0.00 WT1 H ATOM 22228 OH2 TIP3 7618 62.266 7.377 37.916 1.00 0.00 WT1 O ATOM 22229 H1 TIP3 7618 61.825 8.175 38.208 1.00 0.00 WT1 H ATOM 22230 H2 TIP3 7618 61.783 6.667 38.338 1.00 0.00 WT1 H ATOM 22231 OH2 TIP3 7619 34.899 14.592 39.221 1.00 0.00 WT1 O ATOM 22232 H1 TIP3 7619 34.063 14.127 39.231 1.00 0.00 WT1 H ATOM 22233 H2 TIP3 7619 35.557 13.902 39.143 1.00 0.00 WT1 H ATOM 22234 OH2 TIP3 7620 22.614 72.619 58.981 1.00 0.00 WT1 O ATOM 22235 H1 TIP3 7620 22.705 73.546 58.759 1.00 0.00 WT1 H ATOM 22236 H2 TIP3 7620 21.893 72.310 58.433 1.00 0.00 WT1 H ATOM 22237 OH2 TIP3 7621 29.298 89.175 -18.463 1.00 0.00 WT1 O ATOM 22238 H1 TIP3 7621 28.598 89.228 -19.114 1.00 0.00 WT1 H ATOM 22239 H2 TIP3 7621 29.199 88.305 -18.076 1.00 0.00 WT1 H ATOM 22240 OH2 TIP3 7622 51.778 20.136 26.865 1.00 0.00 WT1 O ATOM 22241 H1 TIP3 7622 50.927 20.473 26.585 1.00 0.00 WT1 H ATOM 22242 H2 TIP3 7622 52.339 20.909 26.913 1.00 0.00 WT1 H ATOM 22243 OH2 TIP3 7623 21.695 11.621 56.992 1.00 0.00 WT1 O ATOM 22244 H1 TIP3 7623 20.764 11.397 56.999 1.00 0.00 WT1 H ATOM 22245 H2 TIP3 7623 21.885 11.882 57.893 1.00 0.00 WT1 H ATOM 22246 OH2 TIP3 7624 62.467 8.121 -16.766 1.00 0.00 WT1 O ATOM 22247 H1 TIP3 7624 61.585 7.752 -16.733 1.00 0.00 WT1 H ATOM 22248 H2 TIP3 7624 62.549 8.467 -17.655 1.00 0.00 WT1 H ATOM 22249 OH2 TIP3 7625 30.949 1.699 -1.715 1.00 0.00 WT1 O ATOM 22250 H1 TIP3 7625 30.868 0.957 -1.115 1.00 0.00 WT1 H ATOM 22251 H2 TIP3 7625 31.421 2.363 -1.212 1.00 0.00 WT1 H ATOM 22252 OH2 TIP3 7626 47.686 48.732 37.783 1.00 0.00 WT1 O ATOM 22253 H1 TIP3 7626 48.016 49.618 37.931 1.00 0.00 WT1 H ATOM 22254 H2 TIP3 7626 48.472 48.188 37.732 1.00 0.00 WT1 H ATOM 22255 OH2 TIP3 7627 31.753 90.123 -10.118 1.00 0.00 WT1 O ATOM 22256 H1 TIP3 7627 31.453 91.007 -9.908 1.00 0.00 WT1 H ATOM 22257 H2 TIP3 7627 31.615 89.625 -9.313 1.00 0.00 WT1 H ATOM 22258 OH2 TIP3 7628 21.546 95.397 -13.313 1.00 0.00 WT1 O ATOM 22259 H1 TIP3 7628 20.624 95.569 -13.502 1.00 0.00 WT1 H ATOM 22260 H2 TIP3 7628 21.707 95.840 -12.480 1.00 0.00 WT1 H ATOM 22261 OH2 TIP3 7630 23.224 2.319 12.560 1.00 0.00 WT1 O ATOM 22262 H1 TIP3 7630 23.835 2.794 13.124 1.00 0.00 WT1 H ATOM 22263 H2 TIP3 7630 23.119 1.467 12.984 1.00 0.00 WT1 H ATOM 22264 OH2 TIP3 7631 71.752 6.323 36.547 1.00 0.00 WT1 O ATOM 22265 H1 TIP3 7631 71.525 5.507 36.101 1.00 0.00 WT1 H ATOM 22266 H2 TIP3 7631 71.919 6.063 37.453 1.00 0.00 WT1 H ATOM 22267 OH2 TIP3 7632 44.391 16.021 58.651 1.00 0.00 WT1 O ATOM 22268 H1 TIP3 7632 44.508 15.087 58.479 1.00 0.00 WT1 H ATOM 22269 H2 TIP3 7632 43.733 16.056 59.345 1.00 0.00 WT1 H ATOM 22270 OH2 TIP3 7633 63.194 43.822 14.958 1.00 0.00 WT1 O ATOM 22271 H1 TIP3 7633 63.978 44.062 15.452 1.00 0.00 WT1 H ATOM 22272 H2 TIP3 7633 62.654 44.612 14.966 1.00 0.00 WT1 H ATOM 22273 OH2 TIP3 7634 20.809 96.325 60.741 1.00 0.00 WT1 O ATOM 22274 H1 TIP3 7634 21.577 95.842 60.438 1.00 0.00 WT1 H ATOM 22275 H2 TIP3 7634 20.779 97.103 60.184 1.00 0.00 WT1 H ATOM 22276 OH2 TIP3 7635 50.742 7.424 0.582 1.00 0.00 WT1 O ATOM 22277 H1 TIP3 7635 50.374 8.296 0.723 1.00 0.00 WT1 H ATOM 22278 H2 TIP3 7635 51.625 7.473 0.949 1.00 0.00 WT1 H ATOM 22279 OH2 TIP3 7636 88.157 63.690 27.199 1.00 0.00 WT1 O ATOM 22280 H1 TIP3 7636 88.700 63.209 26.574 1.00 0.00 WT1 H ATOM 22281 H2 TIP3 7636 88.296 63.240 28.033 1.00 0.00 WT1 H ATOM 22282 OH2 TIP3 7637 22.150 26.179 45.557 1.00 0.00 WT1 O ATOM 22283 H1 TIP3 7637 21.913 25.710 44.757 1.00 0.00 WT1 H ATOM 22284 H2 TIP3 7637 21.717 25.691 46.258 1.00 0.00 WT1 H ATOM 22285 OH2 TIP3 7638 80.843 23.116 27.080 1.00 0.00 WT1 O ATOM 22286 H1 TIP3 7638 81.656 23.553 26.828 1.00 0.00 WT1 H ATOM 22287 H2 TIP3 7638 81.127 22.320 27.528 1.00 0.00 WT1 H ATOM 22288 OH2 TIP3 7639 32.139 25.126 49.292 1.00 0.00 WT1 O ATOM 22289 H1 TIP3 7639 33.071 24.925 49.211 1.00 0.00 WT1 H ATOM 22290 H2 TIP3 7639 31.747 24.772 48.494 1.00 0.00 WT1 H ATOM 22291 OH2 TIP3 7640 64.521 37.538 -12.665 1.00 0.00 WT1 O ATOM 22292 H1 TIP3 7640 64.736 37.274 -11.770 1.00 0.00 WT1 H ATOM 22293 H2 TIP3 7640 63.806 38.166 -12.565 1.00 0.00 WT1 H ATOM 22294 OH2 TIP3 7641 74.674 60.428 -11.101 1.00 0.00 WT1 O ATOM 22295 H1 TIP3 7641 73.880 60.618 -11.600 1.00 0.00 WT1 H ATOM 22296 H2 TIP3 7641 74.412 60.523 -10.186 1.00 0.00 WT1 H ATOM 22297 OH2 TIP3 7642 57.425 83.416 17.899 1.00 0.00 WT1 O ATOM 22298 H1 TIP3 7642 57.132 84.327 17.938 1.00 0.00 WT1 H ATOM 22299 H2 TIP3 7642 56.633 82.919 17.691 1.00 0.00 WT1 H ATOM 22300 OH2 TIP3 7643 71.424 76.157 66.453 1.00 0.00 WT1 O ATOM 22301 H1 TIP3 7643 71.542 75.433 67.068 1.00 0.00 WT1 H ATOM 22302 H2 TIP3 7643 70.500 76.113 66.206 1.00 0.00 WT1 H ATOM 22303 OH2 TIP3 7644 27.974 53.942 28.273 1.00 0.00 WT1 O ATOM 22304 H1 TIP3 7644 28.515 53.161 28.158 1.00 0.00 WT1 H ATOM 22305 H2 TIP3 7644 27.940 54.340 27.403 1.00 0.00 WT1 H ATOM 22306 OH2 TIP3 7645 60.391 13.198 42.596 1.00 0.00 WT1 O ATOM 22307 H1 TIP3 7645 59.623 13.762 42.507 1.00 0.00 WT1 H ATOM 22308 H2 TIP3 7645 60.839 13.268 41.752 1.00 0.00 WT1 H ATOM 22309 OH2 TIP3 7646 45.456 14.469 -1.859 1.00 0.00 WT1 O ATOM 22310 H1 TIP3 7646 46.388 14.373 -1.662 1.00 0.00 WT1 H ATOM 22311 H2 TIP3 7646 45.018 13.884 -1.240 1.00 0.00 WT1 H ATOM 22312 OH2 TIP3 7647 57.774 65.603 60.090 1.00 0.00 WT1 O ATOM 22313 H1 TIP3 7647 57.617 66.544 60.004 1.00 0.00 WT1 H ATOM 22314 H2 TIP3 7647 57.067 65.292 60.654 1.00 0.00 WT1 H ATOM 22315 OH2 TIP3 7648 78.207 14.488 45.600 1.00 0.00 WT1 O ATOM 22316 H1 TIP3 7648 78.023 13.565 45.428 1.00 0.00 WT1 H ATOM 22317 H2 TIP3 7648 78.890 14.718 44.970 1.00 0.00 WT1 H ATOM 22318 OH2 TIP3 7649 68.785 26.940 64.277 1.00 0.00 WT1 O ATOM 22319 H1 TIP3 7649 69.100 27.355 65.080 1.00 0.00 WT1 H ATOM 22320 H2 TIP3 7649 67.928 27.337 64.122 1.00 0.00 WT1 H ATOM 22321 OH2 TIP3 7650 74.758 85.952 12.750 1.00 0.00 WT1 O ATOM 22322 H1 TIP3 7650 73.977 85.902 13.302 1.00 0.00 WT1 H ATOM 22323 H2 TIP3 7650 75.489 85.935 13.367 1.00 0.00 WT1 H ATOM 22324 OH2 TIP3 7651 79.146 60.039 1.465 1.00 0.00 WT1 O ATOM 22325 H1 TIP3 7651 78.919 60.945 1.675 1.00 0.00 WT1 H ATOM 22326 H2 TIP3 7651 78.873 59.539 2.233 1.00 0.00 WT1 H ATOM 22327 OH2 TIP3 7652 25.999 77.322 -3.870 1.00 0.00 WT1 O ATOM 22328 H1 TIP3 7652 26.724 77.445 -3.258 1.00 0.00 WT1 H ATOM 22329 H2 TIP3 7652 25.891 76.372 -3.927 1.00 0.00 WT1 H ATOM 22330 OH2 TIP3 7653 74.098 24.482 23.272 1.00 0.00 WT1 O ATOM 22331 H1 TIP3 7653 74.983 24.244 23.547 1.00 0.00 WT1 H ATOM 22332 H2 TIP3 7653 73.671 23.645 23.088 1.00 0.00 WT1 H ATOM 22333 OH2 TIP3 7654 62.581 48.750 10.558 1.00 0.00 WT1 O ATOM 22334 H1 TIP3 7654 61.634 48.738 10.417 1.00 0.00 WT1 H ATOM 22335 H2 TIP3 7654 62.684 48.683 11.507 1.00 0.00 WT1 H ATOM 22336 OH2 TIP3 7655 72.617 42.049 37.647 1.00 0.00 WT1 O ATOM 22337 H1 TIP3 7655 73.212 41.717 36.975 1.00 0.00 WT1 H ATOM 22338 H2 TIP3 7655 71.795 41.584 37.491 1.00 0.00 WT1 H ATOM 22339 OH2 TIP3 7656 86.706 31.185 13.036 1.00 0.00 WT1 O ATOM 22340 H1 TIP3 7656 85.911 31.078 13.559 1.00 0.00 WT1 H ATOM 22341 H2 TIP3 7656 86.887 30.310 12.692 1.00 0.00 WT1 H ATOM 22342 OH2 TIP3 7657 70.162 85.459 16.727 1.00 0.00 WT1 O ATOM 22343 H1 TIP3 7657 69.751 84.655 17.046 1.00 0.00 WT1 H ATOM 22344 H2 TIP3 7657 69.810 85.575 15.845 1.00 0.00 WT1 H ATOM 22345 OH2 TIP3 7658 90.307 55.033 41.637 1.00 0.00 WT1 O ATOM 22346 H1 TIP3 7658 91.021 55.371 42.178 1.00 0.00 WT1 H ATOM 22347 H2 TIP3 7658 89.782 54.503 42.237 1.00 0.00 WT1 H ATOM 22348 OH2 TIP3 7659 35.021 6.797 22.671 1.00 0.00 WT1 O ATOM 22349 H1 TIP3 7659 35.715 7.214 23.182 1.00 0.00 WT1 H ATOM 22350 H2 TIP3 7659 35.199 7.057 21.767 1.00 0.00 WT1 H ATOM 22351 OH2 TIP3 7660 89.518 56.449 -19.533 1.00 0.00 WT1 O ATOM 22352 H1 TIP3 7660 89.246 57.279 -19.142 1.00 0.00 WT1 H ATOM 22353 H2 TIP3 7660 90.372 56.267 -19.140 1.00 0.00 WT1 H ATOM 22354 OH2 TIP3 7661 88.982 82.453 -2.085 1.00 0.00 WT1 O ATOM 22355 H1 TIP3 7661 89.446 81.656 -1.831 1.00 0.00 WT1 H ATOM 22356 H2 TIP3 7661 89.643 83.143 -2.036 1.00 0.00 WT1 H ATOM 22357 OH2 TIP3 7662 27.139 0.557 11.507 1.00 0.00 WT1 O ATOM 22358 H1 TIP3 7662 27.216 0.352 12.439 1.00 0.00 WT1 H ATOM 22359 H2 TIP3 7662 26.587 -0.141 11.153 1.00 0.00 WT1 H ATOM 22360 OH2 TIP3 7663 90.398 69.756 5.797 1.00 0.00 WT1 O ATOM 22361 H1 TIP3 7663 89.690 69.162 6.048 1.00 0.00 WT1 H ATOM 22362 H2 TIP3 7663 89.952 70.517 5.424 1.00 0.00 WT1 H ATOM 22363 OH2 TIP3 7664 43.182 16.111 32.983 1.00 0.00 WT1 O ATOM 22364 H1 TIP3 7664 43.644 15.311 32.731 1.00 0.00 WT1 H ATOM 22365 H2 TIP3 7664 43.869 16.775 33.048 1.00 0.00 WT1 H ATOM 22366 OH2 TIP3 7665 74.880 7.003 -2.301 1.00 0.00 WT1 O ATOM 22367 H1 TIP3 7665 75.078 7.815 -2.768 1.00 0.00 WT1 H ATOM 22368 H2 TIP3 7665 75.317 6.321 -2.811 1.00 0.00 WT1 H ATOM 22369 OH2 TIP3 7666 59.427 77.236 25.547 1.00 0.00 WT1 O ATOM 22370 H1 TIP3 7666 59.908 77.102 24.730 1.00 0.00 WT1 H ATOM 22371 H2 TIP3 7666 58.511 77.307 25.278 1.00 0.00 WT1 H ATOM 22372 OH2 TIP3 7667 43.166 3.189 56.682 1.00 0.00 WT1 O ATOM 22373 H1 TIP3 7667 44.001 3.491 56.325 1.00 0.00 WT1 H ATOM 22374 H2 TIP3 7667 43.099 3.623 57.533 1.00 0.00 WT1 H ATOM 22375 OH2 TIP3 7668 89.876 39.189 14.126 1.00 0.00 WT1 O ATOM 22376 H1 TIP3 7668 89.758 39.912 13.509 1.00 0.00 WT1 H ATOM 22377 H2 TIP3 7668 89.117 39.244 14.706 1.00 0.00 WT1 H ATOM 22378 OH2 TIP3 7669 34.060 14.358 -2.800 1.00 0.00 WT1 O ATOM 22379 H1 TIP3 7669 34.234 14.616 -3.706 1.00 0.00 WT1 H ATOM 22380 H2 TIP3 7669 34.745 13.722 -2.596 1.00 0.00 WT1 H ATOM 22381 OH2 TIP3 7670 80.043 -0.154 39.135 1.00 0.00 WT1 O ATOM 22382 H1 TIP3 7670 79.194 0.111 38.781 1.00 0.00 WT1 H ATOM 22383 H2 TIP3 7670 80.157 0.386 39.917 1.00 0.00 WT1 H ATOM 22384 OH2 TIP3 7671 22.944 13.598 61.930 1.00 0.00 WT1 O ATOM 22385 H1 TIP3 7671 22.150 13.790 62.429 1.00 0.00 WT1 H ATOM 22386 H2 TIP3 7671 23.493 14.374 62.043 1.00 0.00 WT1 H ATOM 22387 OH2 TIP3 7672 36.413 24.707 -8.124 1.00 0.00 WT1 O ATOM 22388 H1 TIP3 7672 36.915 24.629 -7.313 1.00 0.00 WT1 H ATOM 22389 H2 TIP3 7672 36.829 24.088 -8.724 1.00 0.00 WT1 H ATOM 22390 OH2 TIP3 7673 36.145 61.958 -17.275 1.00 0.00 WT1 O ATOM 22391 H1 TIP3 7673 35.922 62.886 -17.350 1.00 0.00 WT1 H ATOM 22392 H2 TIP3 7673 36.153 61.639 -18.177 1.00 0.00 WT1 H ATOM 22393 OH2 TIP3 7674 75.548 52.936 30.730 1.00 0.00 WT1 O ATOM 22394 H1 TIP3 7674 76.199 52.243 30.840 1.00 0.00 WT1 H ATOM 22395 H2 TIP3 7674 75.375 52.954 29.789 1.00 0.00 WT1 H ATOM 22396 OH2 TIP3 7675 62.995 21.832 -8.404 1.00 0.00 WT1 O ATOM 22397 H1 TIP3 7675 62.566 22.334 -7.711 1.00 0.00 WT1 H ATOM 22398 H2 TIP3 7675 62.737 20.925 -8.238 1.00 0.00 WT1 H ATOM 22399 OH2 TIP3 7676 27.639 59.413 32.660 1.00 0.00 WT1 O ATOM 22400 H1 TIP3 7676 27.858 59.414 31.729 1.00 0.00 WT1 H ATOM 22401 H2 TIP3 7676 28.404 59.026 33.086 1.00 0.00 WT1 H ATOM 22402 OH2 TIP3 7677 88.492 19.309 6.007 1.00 0.00 WT1 O ATOM 22403 H1 TIP3 7677 88.675 19.246 5.070 1.00 0.00 WT1 H ATOM 22404 H2 TIP3 7677 89.271 19.724 6.377 1.00 0.00 WT1 H ATOM 22405 OH2 TIP3 7678 77.064 25.095 14.318 1.00 0.00 WT1 O ATOM 22406 H1 TIP3 7678 76.354 25.056 14.958 1.00 0.00 WT1 H ATOM 22407 H2 TIP3 7678 77.100 26.015 14.055 1.00 0.00 WT1 H ATOM 22408 OH2 TIP3 7679 32.475 66.703 34.489 1.00 0.00 WT1 O ATOM 22409 H1 TIP3 7679 32.210 66.203 33.717 1.00 0.00 WT1 H ATOM 22410 H2 TIP3 7679 33.416 66.547 34.564 1.00 0.00 WT1 H ATOM 22411 OH2 TIP3 7680 72.296 25.819 51.061 1.00 0.00 WT1 O ATOM 22412 H1 TIP3 7680 71.555 25.671 50.473 1.00 0.00 WT1 H ATOM 22413 H2 TIP3 7680 72.407 26.770 51.072 1.00 0.00 WT1 H ATOM 22414 OH2 TIP3 7681 24.178 86.097 -1.843 1.00 0.00 WT1 O ATOM 22415 H1 TIP3 7681 25.045 85.816 -1.549 1.00 0.00 WT1 H ATOM 22416 H2 TIP3 7681 24.234 86.088 -2.798 1.00 0.00 WT1 H ATOM 22417 OH2 TIP3 7682 90.187 7.023 10.103 1.00 0.00 WT1 O ATOM 22418 H1 TIP3 7682 91.103 6.745 10.110 1.00 0.00 WT1 H ATOM 22419 H2 TIP3 7682 89.890 6.894 11.003 1.00 0.00 WT1 H ATOM 22420 OH2 TIP3 7683 86.947 20.317 -11.433 1.00 0.00 WT1 O ATOM 22421 H1 TIP3 7683 87.283 21.081 -10.964 1.00 0.00 WT1 H ATOM 22422 H2 TIP3 7683 87.603 19.636 -11.283 1.00 0.00 WT1 H ATOM 22423 OH2 TIP3 7684 85.726 8.987 65.667 1.00 0.00 WT1 O ATOM 22424 H1 TIP3 7684 86.321 9.487 65.109 1.00 0.00 WT1 H ATOM 22425 H2 TIP3 7684 85.014 8.725 65.083 1.00 0.00 WT1 H ATOM 22426 OH2 TIP3 7685 68.013 92.548 42.638 1.00 0.00 WT1 O ATOM 22427 H1 TIP3 7685 68.438 93.375 42.865 1.00 0.00 WT1 H ATOM 22428 H2 TIP3 7685 68.729 91.978 42.360 1.00 0.00 WT1 H ATOM 22429 OH2 TIP3 7686 71.393 69.765 11.728 1.00 0.00 WT1 O ATOM 22430 H1 TIP3 7686 71.289 68.951 11.235 1.00 0.00 WT1 H ATOM 22431 H2 TIP3 7686 70.810 70.386 11.292 1.00 0.00 WT1 H ATOM 22432 OH2 TIP3 7687 48.109 28.736 4.094 1.00 0.00 WT1 O ATOM 22433 H1 TIP3 7687 48.804 28.393 4.655 1.00 0.00 WT1 H ATOM 22434 H2 TIP3 7687 47.415 28.995 4.701 1.00 0.00 WT1 H ATOM 22435 OH2 TIP3 7688 44.124 48.234 -7.097 1.00 0.00 WT1 O ATOM 22436 H1 TIP3 7688 44.287 47.826 -6.246 1.00 0.00 WT1 H ATOM 22437 H2 TIP3 7688 43.955 49.154 -6.893 1.00 0.00 WT1 H ATOM 22438 OH2 TIP3 7689 33.917 64.039 53.555 1.00 0.00 WT1 O ATOM 22439 H1 TIP3 7689 34.380 63.648 52.814 1.00 0.00 WT1 H ATOM 22440 H2 TIP3 7689 34.490 64.748 53.848 1.00 0.00 WT1 H ATOM 22441 OH2 TIP3 7690 26.669 29.327 63.369 1.00 0.00 WT1 O ATOM 22442 H1 TIP3 7690 26.104 30.035 63.680 1.00 0.00 WT1 H ATOM 22443 H2 TIP3 7690 27.428 29.773 62.993 1.00 0.00 WT1 H ATOM 22444 OH2 TIP3 7691 66.724 15.343 21.410 1.00 0.00 WT1 O ATOM 22445 H1 TIP3 7691 66.935 16.157 21.868 1.00 0.00 WT1 H ATOM 22446 H2 TIP3 7691 65.816 15.454 21.130 1.00 0.00 WT1 H ATOM 22447 OH2 TIP3 7692 72.818 86.361 54.111 1.00 0.00 WT1 O ATOM 22448 H1 TIP3 7692 72.167 85.848 53.633 1.00 0.00 WT1 H ATOM 22449 H2 TIP3 7692 73.314 85.712 54.611 1.00 0.00 WT1 H ATOM 22450 OH2 TIP3 7693 65.418 45.757 25.730 1.00 0.00 WT1 O ATOM 22451 H1 TIP3 7693 64.956 46.456 25.267 1.00 0.00 WT1 H ATOM 22452 H2 TIP3 7693 66.085 46.211 26.244 1.00 0.00 WT1 H ATOM 22453 OH2 TIP3 7694 75.210 15.054 9.940 1.00 0.00 WT1 O ATOM 22454 H1 TIP3 7694 74.892 15.846 10.373 1.00 0.00 WT1 H ATOM 22455 H2 TIP3 7694 74.671 14.978 9.153 1.00 0.00 WT1 H ATOM 22456 OH2 TIP3 7695 38.100 2.329 -17.271 1.00 0.00 WT1 O ATOM 22457 H1 TIP3 7695 38.067 1.846 -16.445 1.00 0.00 WT1 H ATOM 22458 H2 TIP3 7695 37.452 3.025 -17.167 1.00 0.00 WT1 H ATOM 22459 OH2 TIP3 7696 37.110 18.008 38.767 1.00 0.00 WT1 O ATOM 22460 H1 TIP3 7696 37.774 17.402 38.440 1.00 0.00 WT1 H ATOM 22461 H2 TIP3 7696 37.205 18.787 38.219 1.00 0.00 WT1 H ATOM 22462 OH2 TIP3 7697 72.999 63.428 8.483 1.00 0.00 WT1 O ATOM 22463 H1 TIP3 7697 72.591 64.198 8.879 1.00 0.00 WT1 H ATOM 22464 H2 TIP3 7697 72.264 62.876 8.217 1.00 0.00 WT1 H ATOM 22465 OH2 TIP3 7698 42.350 62.821 5.105 1.00 0.00 WT1 O ATOM 22466 H1 TIP3 7698 42.107 62.185 5.778 1.00 0.00 WT1 H ATOM 22467 H2 TIP3 7698 42.132 63.671 5.488 1.00 0.00 WT1 H ATOM 22468 OH2 TIP3 7699 22.800 43.548 5.620 1.00 0.00 WT1 O ATOM 22469 H1 TIP3 7699 22.331 43.857 6.396 1.00 0.00 WT1 H ATOM 22470 H2 TIP3 7699 23.300 44.308 5.323 1.00 0.00 WT1 H ATOM 22471 OH2 TIP3 7700 71.114 0.829 41.880 1.00 0.00 WT1 O ATOM 22472 H1 TIP3 7700 70.627 1.575 42.228 1.00 0.00 WT1 H ATOM 22473 H2 TIP3 7700 71.480 0.399 42.653 1.00 0.00 WT1 H ATOM 22474 OH2 TIP3 7701 78.197 37.725 26.877 1.00 0.00 WT1 O ATOM 22475 H1 TIP3 7701 78.756 38.124 27.544 1.00 0.00 WT1 H ATOM 22476 H2 TIP3 7701 77.739 38.463 26.474 1.00 0.00 WT1 H ATOM 22477 OH2 TIP3 7703 37.542 58.106 40.991 1.00 0.00 WT1 O ATOM 22478 H1 TIP3 7703 37.954 58.663 41.652 1.00 0.00 WT1 H ATOM 22479 H2 TIP3 7703 37.727 58.543 40.160 1.00 0.00 WT1 H ATOM 22480 OH2 TIP3 7704 35.828 81.365 36.034 1.00 0.00 WT1 O ATOM 22481 H1 TIP3 7704 35.226 81.106 35.336 1.00 0.00 WT1 H ATOM 22482 H2 TIP3 7704 35.259 81.593 36.769 1.00 0.00 WT1 H ATOM 22483 OH2 TIP3 7705 70.529 12.584 -15.371 1.00 0.00 WT1 O ATOM 22484 H1 TIP3 7705 70.320 12.854 -16.266 1.00 0.00 WT1 H ATOM 22485 H2 TIP3 7705 71.069 13.295 -15.026 1.00 0.00 WT1 H ATOM 22486 OH2 TIP3 7706 57.308 23.169 34.002 1.00 0.00 WT1 O ATOM 22487 H1 TIP3 7706 57.478 24.108 34.081 1.00 0.00 WT1 H ATOM 22488 H2 TIP3 7706 56.355 23.102 33.949 1.00 0.00 WT1 H ATOM 22489 OH2 TIP3 7707 78.529 13.626 -11.125 1.00 0.00 WT1 O ATOM 22490 H1 TIP3 7707 78.426 12.908 -11.749 1.00 0.00 WT1 H ATOM 22491 H2 TIP3 7707 77.701 14.104 -11.170 1.00 0.00 WT1 H ATOM 22492 OH2 TIP3 7708 52.616 90.058 4.612 1.00 0.00 WT1 O ATOM 22493 H1 TIP3 7708 52.329 89.472 5.312 1.00 0.00 WT1 H ATOM 22494 H2 TIP3 7708 53.561 90.139 4.739 1.00 0.00 WT1 H ATOM 22495 OH2 TIP3 7709 46.561 13.911 15.258 1.00 0.00 WT1 O ATOM 22496 H1 TIP3 7709 47.513 13.820 15.217 1.00 0.00 WT1 H ATOM 22497 H2 TIP3 7709 46.419 14.813 15.546 1.00 0.00 WT1 H ATOM 22498 OH2 TIP3 7710 35.032 94.530 25.621 1.00 0.00 WT1 O ATOM 22499 H1 TIP3 7710 35.136 95.474 25.737 1.00 0.00 WT1 H ATOM 22500 H2 TIP3 7710 34.442 94.265 26.327 1.00 0.00 WT1 H ATOM 22501 OH2 TIP3 7711 29.437 73.941 45.134 1.00 0.00 WT1 O ATOM 22502 H1 TIP3 7711 28.874 74.487 44.586 1.00 0.00 WT1 H ATOM 22503 H2 TIP3 7711 30.097 73.596 44.533 1.00 0.00 WT1 H ATOM 22504 OH2 TIP3 7712 72.103 21.703 61.308 1.00 0.00 WT1 O ATOM 22505 H1 TIP3 7712 71.515 22.426 61.530 1.00 0.00 WT1 H ATOM 22506 H2 TIP3 7712 72.974 22.021 61.546 1.00 0.00 WT1 H ATOM 22507 OH2 TIP3 7713 79.162 64.317 45.467 1.00 0.00 WT1 O ATOM 22508 H1 TIP3 7713 79.487 64.260 44.569 1.00 0.00 WT1 H ATOM 22509 H2 TIP3 7713 78.228 64.502 45.373 1.00 0.00 WT1 H ATOM 22510 OH2 TIP3 7714 47.978 5.210 7.939 1.00 0.00 WT1 O ATOM 22511 H1 TIP3 7714 48.606 4.941 8.609 1.00 0.00 WT1 H ATOM 22512 H2 TIP3 7714 48.518 5.435 7.181 1.00 0.00 WT1 H ATOM 22513 OH2 TIP3 7715 75.207 8.208 0.788 1.00 0.00 WT1 O ATOM 22514 H1 TIP3 7715 75.762 7.874 1.493 1.00 0.00 WT1 H ATOM 22515 H2 TIP3 7715 74.715 7.443 0.488 1.00 0.00 WT1 H ATOM 22516 OH2 TIP3 7716 72.701 89.629 37.954 1.00 0.00 WT1 O ATOM 22517 H1 TIP3 7716 71.809 89.478 38.266 1.00 0.00 WT1 H ATOM 22518 H2 TIP3 7716 73.260 89.335 38.674 1.00 0.00 WT1 H ATOM 22519 OH2 TIP3 7717 77.060 41.820 31.068 1.00 0.00 WT1 O ATOM 22520 H1 TIP3 7717 76.801 42.517 31.671 1.00 0.00 WT1 H ATOM 22521 H2 TIP3 7717 77.121 42.251 30.216 1.00 0.00 WT1 H ATOM 22522 OH2 TIP3 7718 27.495 17.136 -18.488 1.00 0.00 WT1 O ATOM 22523 H1 TIP3 7718 26.649 16.764 -18.736 1.00 0.00 WT1 H ATOM 22524 H2 TIP3 7718 27.942 16.428 -18.026 1.00 0.00 WT1 H ATOM 22525 OH2 TIP3 7719 84.223 84.324 6.726 1.00 0.00 WT1 O ATOM 22526 H1 TIP3 7719 84.375 83.685 7.423 1.00 0.00 WT1 H ATOM 22527 H2 TIP3 7719 83.291 84.531 6.789 1.00 0.00 WT1 H ATOM 22528 OH2 TIP3 7720 86.746 34.901 46.087 1.00 0.00 WT1 O ATOM 22529 H1 TIP3 7720 86.775 35.159 45.165 1.00 0.00 WT1 H ATOM 22530 H2 TIP3 7720 87.178 35.619 46.550 1.00 0.00 WT1 H ATOM 22531 OH2 TIP3 7721 66.082 43.484 13.492 1.00 0.00 WT1 O ATOM 22532 H1 TIP3 7721 65.912 43.767 14.390 1.00 0.00 WT1 H ATOM 22533 H2 TIP3 7721 65.733 42.594 13.450 1.00 0.00 WT1 H ATOM 22534 OH2 TIP3 7722 42.371 8.345 66.051 1.00 0.00 WT1 O ATOM 22535 H1 TIP3 7722 43.053 8.313 65.379 1.00 0.00 WT1 H ATOM 22536 H2 TIP3 7722 42.834 8.171 66.870 1.00 0.00 WT1 H ATOM 22537 OH2 TIP3 7723 37.957 10.099 -17.863 1.00 0.00 WT1 O ATOM 22538 H1 TIP3 7723 37.233 10.309 -18.453 1.00 0.00 WT1 H ATOM 22539 H2 TIP3 7723 38.731 10.095 -18.425 1.00 0.00 WT1 H ATOM 22540 OH2 TIP3 7724 22.229 66.538 12.743 1.00 0.00 WT1 O ATOM 22541 H1 TIP3 7724 21.997 66.224 11.869 1.00 0.00 WT1 H ATOM 22542 H2 TIP3 7724 22.926 65.950 13.032 1.00 0.00 WT1 H ATOM 22543 OH2 TIP3 7725 79.904 52.497 10.094 1.00 0.00 WT1 O ATOM 22544 H1 TIP3 7725 78.967 52.346 10.216 1.00 0.00 WT1 H ATOM 22545 H2 TIP3 7725 80.040 52.412 9.150 1.00 0.00 WT1 H ATOM 22546 OH2 TIP3 7726 74.798 70.012 52.856 1.00 0.00 WT1 O ATOM 22547 H1 TIP3 7726 73.941 70.438 52.898 1.00 0.00 WT1 H ATOM 22548 H2 TIP3 7726 74.838 69.641 51.975 1.00 0.00 WT1 H ATOM 22549 OH2 TIP3 7727 67.704 55.190 31.855 1.00 0.00 WT1 O ATOM 22550 H1 TIP3 7727 66.908 55.401 31.368 1.00 0.00 WT1 H ATOM 22551 H2 TIP3 7727 68.190 54.600 31.278 1.00 0.00 WT1 H ATOM 22552 OH2 TIP3 7728 74.458 52.564 28.230 1.00 0.00 WT1 O ATOM 22553 H1 TIP3 7728 74.305 53.447 27.892 1.00 0.00 WT1 H ATOM 22554 H2 TIP3 7728 73.589 52.165 28.261 1.00 0.00 WT1 H ATOM 22555 OH2 TIP3 7729 53.953 9.904 67.136 1.00 0.00 WT1 O ATOM 22556 H1 TIP3 7729 53.882 9.365 66.348 1.00 0.00 WT1 H ATOM 22557 H2 TIP3 7729 54.194 9.288 67.827 1.00 0.00 WT1 H ATOM 22558 OH2 TIP3 7730 59.306 35.253 54.689 1.00 0.00 WT1 O ATOM 22559 H1 TIP3 7730 59.097 35.767 53.909 1.00 0.00 WT1 H ATOM 22560 H2 TIP3 7730 58.566 35.398 55.278 1.00 0.00 WT1 H ATOM 22561 OH2 TIP3 7731 25.276 69.988 33.133 1.00 0.00 WT1 O ATOM 22562 H1 TIP3 7731 24.920 70.570 33.805 1.00 0.00 WT1 H ATOM 22563 H2 TIP3 7731 24.910 70.317 32.312 1.00 0.00 WT1 H ATOM 22564 OH2 TIP3 7732 72.840 23.689 59.084 1.00 0.00 WT1 O ATOM 22565 H1 TIP3 7732 73.600 23.113 59.155 1.00 0.00 WT1 H ATOM 22566 H2 TIP3 7732 72.942 24.118 58.234 1.00 0.00 WT1 H ATOM 22567 OH2 TIP3 7733 65.707 84.425 -0.172 1.00 0.00 WT1 O ATOM 22568 H1 TIP3 7733 66.364 83.731 -0.112 1.00 0.00 WT1 H ATOM 22569 H2 TIP3 7733 65.376 84.519 0.721 1.00 0.00 WT1 H ATOM 22570 OH2 TIP3 7734 21.504 32.005 19.123 1.00 0.00 WT1 O ATOM 22571 H1 TIP3 7734 22.380 31.964 18.739 1.00 0.00 WT1 H ATOM 22572 H2 TIP3 7734 20.928 32.204 18.385 1.00 0.00 WT1 H ATOM 22573 OH2 TIP3 7735 66.217 93.566 52.446 1.00 0.00 WT1 O ATOM 22574 H1 TIP3 7735 65.796 93.124 53.184 1.00 0.00 WT1 H ATOM 22575 H2 TIP3 7735 65.512 93.700 51.813 1.00 0.00 WT1 H ATOM 22576 OH2 TIP3 7736 34.735 43.297 -10.111 1.00 0.00 WT1 O ATOM 22577 H1 TIP3 7736 33.902 43.603 -9.753 1.00 0.00 WT1 H ATOM 22578 H2 TIP3 7736 35.250 44.094 -10.237 1.00 0.00 WT1 H ATOM 22579 OH2 TIP3 7737 70.647 34.130 -15.230 1.00 0.00 WT1 O ATOM 22580 H1 TIP3 7737 71.381 34.363 -14.661 1.00 0.00 WT1 H ATOM 22581 H2 TIP3 7737 70.651 33.173 -15.247 1.00 0.00 WT1 H ATOM 22582 OH2 TIP3 7738 61.112 89.736 48.083 1.00 0.00 WT1 O ATOM 22583 H1 TIP3 7738 60.351 90.242 47.797 1.00 0.00 WT1 H ATOM 22584 H2 TIP3 7738 61.858 90.316 47.931 1.00 0.00 WT1 H ATOM 22585 OH2 TIP3 7739 36.784 16.059 -1.118 1.00 0.00 WT1 O ATOM 22586 H1 TIP3 7739 35.915 15.726 -0.894 1.00 0.00 WT1 H ATOM 22587 H2 TIP3 7739 36.615 16.806 -1.691 1.00 0.00 WT1 H ATOM 22588 OH2 TIP3 7740 48.351 49.308 9.772 1.00 0.00 WT1 O ATOM 22589 H1 TIP3 7740 48.814 48.802 9.104 1.00 0.00 WT1 H ATOM 22590 H2 TIP3 7740 48.989 49.411 10.478 1.00 0.00 WT1 H ATOM 22591 OH2 TIP3 7741 87.437 31.658 5.575 1.00 0.00 WT1 O ATOM 22592 H1 TIP3 7741 87.486 30.755 5.262 1.00 0.00 WT1 H ATOM 22593 H2 TIP3 7741 87.920 31.652 6.402 1.00 0.00 WT1 H ATOM 22594 OH2 TIP3 7742 83.252 92.572 40.497 1.00 0.00 WT1 O ATOM 22595 H1 TIP3 7742 83.918 92.470 41.177 1.00 0.00 WT1 H ATOM 22596 H2 TIP3 7742 82.515 92.042 40.801 1.00 0.00 WT1 H ATOM 22597 OH2 TIP3 7743 72.213 4.297 -6.001 1.00 0.00 WT1 O ATOM 22598 H1 TIP3 7743 71.326 4.327 -5.644 1.00 0.00 WT1 H ATOM 22599 H2 TIP3 7743 72.293 5.101 -6.514 1.00 0.00 WT1 H ATOM 22600 OH2 TIP3 7744 59.981 25.768 18.400 1.00 0.00 WT1 O ATOM 22601 H1 TIP3 7744 59.948 25.661 19.351 1.00 0.00 WT1 H ATOM 22602 H2 TIP3 7744 59.111 26.092 18.165 1.00 0.00 WT1 H ATOM 22603 OH2 TIP3 7745 66.920 25.441 53.735 1.00 0.00 WT1 O ATOM 22604 H1 TIP3 7745 66.566 24.991 52.968 1.00 0.00 WT1 H ATOM 22605 H2 TIP3 7745 67.468 26.137 53.373 1.00 0.00 WT1 H ATOM 22606 OH2 TIP3 7746 72.396 24.727 1.770 1.00 0.00 WT1 O ATOM 22607 H1 TIP3 7746 71.926 25.389 1.263 1.00 0.00 WT1 H ATOM 22608 H2 TIP3 7746 72.588 25.155 2.604 1.00 0.00 WT1 H ATOM 22609 OH2 TIP3 7747 83.614 54.010 12.373 1.00 0.00 WT1 O ATOM 22610 H1 TIP3 7747 83.694 54.793 12.916 1.00 0.00 WT1 H ATOM 22611 H2 TIP3 7747 84.510 53.820 12.093 1.00 0.00 WT1 H ATOM 22612 OH2 TIP3 7748 44.653 22.516 46.286 1.00 0.00 WT1 O ATOM 22613 H1 TIP3 7748 45.328 23.070 46.679 1.00 0.00 WT1 H ATOM 22614 H2 TIP3 7748 44.413 22.969 45.477 1.00 0.00 WT1 H ATOM 22615 OH2 TIP3 7750 59.418 16.545 49.589 1.00 0.00 WT1 O ATOM 22616 H1 TIP3 7750 59.985 15.832 49.296 1.00 0.00 WT1 H ATOM 22617 H2 TIP3 7750 58.742 16.114 50.113 1.00 0.00 WT1 H ATOM 22618 OH2 TIP3 7751 36.730 43.427 3.704 1.00 0.00 WT1 O ATOM 22619 H1 TIP3 7751 36.317 43.049 4.480 1.00 0.00 WT1 H ATOM 22620 H2 TIP3 7751 36.371 42.925 2.972 1.00 0.00 WT1 H ATOM 22621 OH2 TIP3 7752 24.129 46.109 9.616 1.00 0.00 WT1 O ATOM 22622 H1 TIP3 7752 24.419 46.072 10.527 1.00 0.00 WT1 H ATOM 22623 H2 TIP3 7752 24.930 46.260 9.114 1.00 0.00 WT1 H ATOM 22624 OH2 TIP3 7753 86.621 52.439 44.787 1.00 0.00 WT1 O ATOM 22625 H1 TIP3 7753 86.351 53.268 45.182 1.00 0.00 WT1 H ATOM 22626 H2 TIP3 7753 86.958 51.923 45.519 1.00 0.00 WT1 H ATOM 22627 OH2 TIP3 7754 89.771 41.361 27.199 1.00 0.00 WT1 O ATOM 22628 H1 TIP3 7754 89.886 42.057 26.552 1.00 0.00 WT1 H ATOM 22629 H2 TIP3 7754 89.880 40.551 26.702 1.00 0.00 WT1 H ATOM 22630 OH2 TIP3 7755 53.571 83.545 54.424 1.00 0.00 WT1 O ATOM 22631 H1 TIP3 7755 52.935 83.824 53.766 1.00 0.00 WT1 H ATOM 22632 H2 TIP3 7755 53.040 83.262 55.168 1.00 0.00 WT1 H ATOM 22633 OH2 TIP3 7757 87.870 95.349 54.340 1.00 0.00 WT1 O ATOM 22634 H1 TIP3 7757 87.707 94.643 53.714 1.00 0.00 WT1 H ATOM 22635 H2 TIP3 7757 87.670 94.963 55.193 1.00 0.00 WT1 H ATOM 22636 OH2 TIP3 7758 66.404 47.630 7.020 1.00 0.00 WT1 O ATOM 22637 H1 TIP3 7758 66.255 48.433 6.521 1.00 0.00 WT1 H ATOM 22638 H2 TIP3 7758 65.761 47.665 7.729 1.00 0.00 WT1 H ATOM 22639 OH2 TIP3 7759 67.711 84.952 3.255 1.00 0.00 WT1 O ATOM 22640 H1 TIP3 7759 67.346 84.228 2.747 1.00 0.00 WT1 H ATOM 22641 H2 TIP3 7759 67.616 84.679 4.167 1.00 0.00 WT1 H ATOM 22642 OH2 TIP3 7760 61.147 5.545 -16.130 1.00 0.00 WT1 O ATOM 22643 H1 TIP3 7760 60.450 5.356 -15.502 1.00 0.00 WT1 H ATOM 22644 H2 TIP3 7760 61.907 5.069 -15.796 1.00 0.00 WT1 H ATOM 22645 OH2 TIP3 7761 32.729 29.423 52.646 1.00 0.00 WT1 O ATOM 22646 H1 TIP3 7761 32.384 29.696 53.496 1.00 0.00 WT1 H ATOM 22647 H2 TIP3 7761 32.628 28.471 52.640 1.00 0.00 WT1 H ATOM 22648 OH2 TIP3 7763 38.226 42.259 11.434 1.00 0.00 WT1 O ATOM 22649 H1 TIP3 7763 39.165 42.169 11.273 1.00 0.00 WT1 H ATOM 22650 H2 TIP3 7763 38.034 43.174 11.230 1.00 0.00 WT1 H ATOM 22651 OH2 TIP3 7764 49.743 36.372 39.846 1.00 0.00 WT1 O ATOM 22652 H1 TIP3 7764 49.267 36.806 39.138 1.00 0.00 WT1 H ATOM 22653 H2 TIP3 7764 49.893 35.483 39.524 1.00 0.00 WT1 H ATOM 22654 OH2 TIP3 7765 79.696 89.477 31.052 1.00 0.00 WT1 O ATOM 22655 H1 TIP3 7765 79.502 89.651 30.131 1.00 0.00 WT1 H ATOM 22656 H2 TIP3 7765 78.980 89.893 31.532 1.00 0.00 WT1 H ATOM 22657 OH2 TIP3 7767 26.049 62.767 31.564 1.00 0.00 WT1 O ATOM 22658 H1 TIP3 7767 26.934 62.416 31.661 1.00 0.00 WT1 H ATOM 22659 H2 TIP3 7767 26.067 63.236 30.730 1.00 0.00 WT1 H ATOM 22660 OH2 TIP3 7768 24.893 81.804 58.095 1.00 0.00 WT1 O ATOM 22661 H1 TIP3 7768 25.228 82.435 57.458 1.00 0.00 WT1 H ATOM 22662 H2 TIP3 7768 24.688 81.026 57.576 1.00 0.00 WT1 H ATOM 22663 OH2 TIP3 7769 56.932 26.357 9.589 1.00 0.00 WT1 O ATOM 22664 H1 TIP3 7769 57.637 26.916 9.914 1.00 0.00 WT1 H ATOM 22665 H2 TIP3 7769 56.142 26.889 9.682 1.00 0.00 WT1 H ATOM 22666 OH2 TIP3 7770 31.077 40.128 52.499 1.00 0.00 WT1 O ATOM 22667 H1 TIP3 7770 30.149 40.296 52.337 1.00 0.00 WT1 H ATOM 22668 H2 TIP3 7770 31.527 40.530 51.756 1.00 0.00 WT1 H ATOM 22669 OH2 TIP3 7771 42.526 45.072 -9.051 1.00 0.00 WT1 O ATOM 22670 H1 TIP3 7771 42.254 45.951 -8.787 1.00 0.00 WT1 H ATOM 22671 H2 TIP3 7771 41.707 44.586 -9.146 1.00 0.00 WT1 H ATOM 22672 OH2 TIP3 7772 58.851 33.354 30.016 1.00 0.00 WT1 O ATOM 22673 H1 TIP3 7772 57.922 33.336 30.246 1.00 0.00 WT1 H ATOM 22674 H2 TIP3 7772 58.867 33.644 29.104 1.00 0.00 WT1 H ATOM 22675 OH2 TIP3 7773 40.192 88.951 39.264 1.00 0.00 WT1 O ATOM 22676 H1 TIP3 7773 40.683 89.091 38.454 1.00 0.00 WT1 H ATOM 22677 H2 TIP3 7773 40.713 88.314 39.752 1.00 0.00 WT1 H ATOM 22678 OH2 TIP3 7774 27.922 65.385 -16.755 1.00 0.00 WT1 O ATOM 22679 H1 TIP3 7774 28.185 64.663 -17.327 1.00 0.00 WT1 H ATOM 22680 H2 TIP3 7774 28.735 65.666 -16.335 1.00 0.00 WT1 H ATOM 22681 OH2 TIP3 7775 80.938 53.862 40.122 1.00 0.00 WT1 O ATOM 22682 H1 TIP3 7775 81.888 53.776 40.205 1.00 0.00 WT1 H ATOM 22683 H2 TIP3 7775 80.679 54.397 40.872 1.00 0.00 WT1 H ATOM 22684 OH2 TIP3 7776 71.843 17.615 -4.281 1.00 0.00 WT1 O ATOM 22685 H1 TIP3 7776 71.580 17.025 -3.575 1.00 0.00 WT1 H ATOM 22686 H2 TIP3 7776 72.594 18.092 -3.929 1.00 0.00 WT1 H ATOM 22687 OH2 TIP3 7777 63.200 53.455 -13.954 1.00 0.00 WT1 O ATOM 22688 H1 TIP3 7777 63.778 54.178 -13.712 1.00 0.00 WT1 H ATOM 22689 H2 TIP3 7777 63.539 52.703 -13.469 1.00 0.00 WT1 H ATOM 22690 OH2 TIP3 7778 74.832 27.815 5.269 1.00 0.00 WT1 O ATOM 22691 H1 TIP3 7778 74.213 27.117 5.485 1.00 0.00 WT1 H ATOM 22692 H2 TIP3 7778 75.474 27.794 5.978 1.00 0.00 WT1 H ATOM 22693 OH2 TIP3 7779 77.431 76.535 31.973 1.00 0.00 WT1 O ATOM 22694 H1 TIP3 7779 78.365 76.738 32.032 1.00 0.00 WT1 H ATOM 22695 H2 TIP3 7779 77.067 76.837 32.806 1.00 0.00 WT1 H ATOM 22696 OH2 TIP3 7780 45.847 7.257 5.241 1.00 0.00 WT1 O ATOM 22697 H1 TIP3 7780 46.469 7.954 5.450 1.00 0.00 WT1 H ATOM 22698 H2 TIP3 7780 45.453 7.027 6.082 1.00 0.00 WT1 H ATOM 22699 OH2 TIP3 7781 41.282 21.825 -1.034 1.00 0.00 WT1 O ATOM 22700 H1 TIP3 7781 41.400 21.043 -0.494 1.00 0.00 WT1 H ATOM 22701 H2 TIP3 7781 41.885 22.467 -0.662 1.00 0.00 WT1 H ATOM 22702 OH2 TIP3 7782 66.476 87.156 30.752 1.00 0.00 WT1 O ATOM 22703 H1 TIP3 7782 66.474 88.091 30.548 1.00 0.00 WT1 H ATOM 22704 H2 TIP3 7782 65.615 86.847 30.471 1.00 0.00 WT1 H ATOM 22705 OH2 TIP3 7783 72.856 35.589 -9.352 1.00 0.00 WT1 O ATOM 22706 H1 TIP3 7783 72.269 35.819 -8.631 1.00 0.00 WT1 H ATOM 22707 H2 TIP3 7783 73.361 34.846 -9.023 1.00 0.00 WT1 H ATOM 22708 OH2 TIP3 7784 39.512 7.958 60.786 1.00 0.00 WT1 O ATOM 22709 H1 TIP3 7784 40.113 7.365 60.333 1.00 0.00 WT1 H ATOM 22710 H2 TIP3 7784 38.883 7.379 61.216 1.00 0.00 WT1 H ATOM 22711 OH2 TIP3 7785 65.020 15.748 37.010 1.00 0.00 WT1 O ATOM 22712 H1 TIP3 7785 65.123 16.605 37.426 1.00 0.00 WT1 H ATOM 22713 H2 TIP3 7785 65.358 15.870 36.123 1.00 0.00 WT1 H ATOM 22714 OH2 TIP3 7787 54.166 20.010 49.589 1.00 0.00 WT1 O ATOM 22715 H1 TIP3 7787 53.230 20.000 49.391 1.00 0.00 WT1 H ATOM 22716 H2 TIP3 7787 54.588 19.744 48.772 1.00 0.00 WT1 H ATOM 22717 OH2 TIP3 7788 86.940 4.811 -16.977 1.00 0.00 WT1 O ATOM 22718 H1 TIP3 7788 86.602 5.688 -17.157 1.00 0.00 WT1 H ATOM 22719 H2 TIP3 7788 87.470 4.596 -17.744 1.00 0.00 WT1 H ATOM 22720 OH2 TIP3 7789 70.515 67.987 18.380 1.00 0.00 WT1 O ATOM 22721 H1 TIP3 7789 70.209 67.116 18.126 1.00 0.00 WT1 H ATOM 22722 H2 TIP3 7789 70.515 68.489 17.565 1.00 0.00 WT1 H ATOM 22723 OH2 TIP3 7790 45.002 54.621 45.470 1.00 0.00 WT1 O ATOM 22724 H1 TIP3 7790 45.937 54.580 45.271 1.00 0.00 WT1 H ATOM 22725 H2 TIP3 7790 44.588 54.092 44.788 1.00 0.00 WT1 H ATOM 22726 OH2 TIP3 7791 26.614 63.939 56.987 1.00 0.00 WT1 O ATOM 22727 H1 TIP3 7791 27.501 63.582 56.933 1.00 0.00 WT1 H ATOM 22728 H2 TIP3 7791 26.690 64.825 56.633 1.00 0.00 WT1 H ATOM 22729 OH2 TIP3 7792 60.363 5.458 38.241 1.00 0.00 WT1 O ATOM 22730 H1 TIP3 7792 59.634 6.043 38.033 1.00 0.00 WT1 H ATOM 22731 H2 TIP3 7792 60.141 5.094 39.098 1.00 0.00 WT1 H ATOM 22732 OH2 TIP3 7793 35.599 66.971 1.355 1.00 0.00 WT1 O ATOM 22733 H1 TIP3 7793 35.015 66.543 0.728 1.00 0.00 WT1 H ATOM 22734 H2 TIP3 7793 35.256 66.721 2.212 1.00 0.00 WT1 H ATOM 22735 OH2 TIP3 7794 62.278 38.979 35.260 1.00 0.00 WT1 O ATOM 22736 H1 TIP3 7794 62.053 39.237 34.366 1.00 0.00 WT1 H ATOM 22737 H2 TIP3 7794 61.523 39.247 35.784 1.00 0.00 WT1 H ATOM 22738 OH2 TIP3 7796 21.838 16.445 48.993 1.00 0.00 WT1 O ATOM 22739 H1 TIP3 7796 22.488 15.895 48.555 1.00 0.00 WT1 H ATOM 22740 H2 TIP3 7796 22.021 17.330 48.677 1.00 0.00 WT1 H ATOM 22741 OH2 TIP3 7797 42.567 93.012 -5.559 1.00 0.00 WT1 O ATOM 22742 H1 TIP3 7797 41.904 92.623 -4.989 1.00 0.00 WT1 H ATOM 22743 H2 TIP3 7797 42.200 93.860 -5.810 1.00 0.00 WT1 H ATOM 22744 OH2 TIP3 7798 76.053 70.767 24.330 1.00 0.00 WT1 O ATOM 22745 H1 TIP3 7798 75.530 70.009 24.590 1.00 0.00 WT1 H ATOM 22746 H2 TIP3 7798 75.551 71.522 24.636 1.00 0.00 WT1 H ATOM 22747 OH2 TIP3 7799 48.605 48.646 67.062 1.00 0.00 WT1 O ATOM 22748 H1 TIP3 7799 47.653 48.662 67.158 1.00 0.00 WT1 H ATOM 22749 H2 TIP3 7799 48.846 47.733 67.216 1.00 0.00 WT1 H ATOM 22750 OH2 TIP3 7800 67.285 63.831 25.836 1.00 0.00 WT1 O ATOM 22751 H1 TIP3 7800 66.933 62.945 25.922 1.00 0.00 WT1 H ATOM 22752 H2 TIP3 7800 66.525 64.371 25.619 1.00 0.00 WT1 H ATOM 22753 OH2 TIP3 7801 67.731 64.009 38.205 1.00 0.00 WT1 O ATOM 22754 H1 TIP3 7801 68.109 63.965 37.327 1.00 0.00 WT1 H ATOM 22755 H2 TIP3 7801 68.043 63.216 38.641 1.00 0.00 WT1 H ATOM 22756 OH2 TIP3 7803 70.262 10.138 -10.042 1.00 0.00 WT1 O ATOM 22757 H1 TIP3 7803 70.157 10.196 -9.093 1.00 0.00 WT1 H ATOM 22758 H2 TIP3 7803 70.925 9.460 -10.169 1.00 0.00 WT1 H ATOM 22759 OH2 TIP3 7804 59.126 83.703 14.492 1.00 0.00 WT1 O ATOM 22760 H1 TIP3 7804 58.386 83.108 14.610 1.00 0.00 WT1 H ATOM 22761 H2 TIP3 7804 59.120 83.912 13.558 1.00 0.00 WT1 H ATOM 22762 OH2 TIP3 7805 27.588 86.705 49.354 1.00 0.00 WT1 O ATOM 22763 H1 TIP3 7805 27.342 86.076 48.675 1.00 0.00 WT1 H ATOM 22764 H2 TIP3 7805 27.505 87.559 48.930 1.00 0.00 WT1 H ATOM 22765 OH2 TIP3 7807 36.390 8.515 8.565 1.00 0.00 WT1 O ATOM 22766 H1 TIP3 7807 36.048 7.995 9.292 1.00 0.00 WT1 H ATOM 22767 H2 TIP3 7807 35.660 9.079 8.310 1.00 0.00 WT1 H ATOM 22768 OH2 TIP3 7808 49.279 32.622 14.081 1.00 0.00 WT1 O ATOM 22769 H1 TIP3 7808 48.742 32.072 14.651 1.00 0.00 WT1 H ATOM 22770 H2 TIP3 7808 49.663 33.273 14.668 1.00 0.00 WT1 H ATOM 22771 OH2 TIP3 7809 69.028 27.537 19.995 1.00 0.00 WT1 O ATOM 22772 H1 TIP3 7809 69.578 27.050 20.609 1.00 0.00 WT1 H ATOM 22773 H2 TIP3 7809 69.250 27.176 19.137 1.00 0.00 WT1 H ATOM 22774 OH2 TIP3 7810 71.597 91.400 16.830 1.00 0.00 WT1 O ATOM 22775 H1 TIP3 7810 71.787 92.300 17.095 1.00 0.00 WT1 H ATOM 22776 H2 TIP3 7810 71.715 90.885 17.628 1.00 0.00 WT1 H ATOM 22777 OH2 TIP3 7811 33.294 28.295 -17.413 1.00 0.00 WT1 O ATOM 22778 H1 TIP3 7811 32.971 28.399 -18.308 1.00 0.00 WT1 H ATOM 22779 H2 TIP3 7811 32.521 28.420 -16.863 1.00 0.00 WT1 H ATOM 22780 OH2 TIP3 7812 43.710 65.631 66.343 1.00 0.00 WT1 O ATOM 22781 H1 TIP3 7812 42.886 65.288 66.688 1.00 0.00 WT1 H ATOM 22782 H2 TIP3 7812 43.582 65.656 65.395 1.00 0.00 WT1 H ATOM 22783 OH2 TIP3 7813 79.538 41.177 7.041 1.00 0.00 WT1 O ATOM 22784 H1 TIP3 7813 79.642 41.640 7.871 1.00 0.00 WT1 H ATOM 22785 H2 TIP3 7813 80.041 41.695 6.412 1.00 0.00 WT1 H ATOM 22786 OH2 TIP3 7814 42.014 29.265 61.327 1.00 0.00 WT1 O ATOM 22787 H1 TIP3 7814 41.099 29.523 61.214 1.00 0.00 WT1 H ATOM 22788 H2 TIP3 7814 42.326 29.804 62.054 1.00 0.00 WT1 H ATOM 22789 OH2 TIP3 7815 79.869 1.339 -13.584 1.00 0.00 WT1 O ATOM 22790 H1 TIP3 7815 78.944 1.409 -13.816 1.00 0.00 WT1 H ATOM 22791 H2 TIP3 7815 80.324 1.281 -14.425 1.00 0.00 WT1 H ATOM 22792 OH2 TIP3 7816 37.608 19.616 2.383 1.00 0.00 WT1 O ATOM 22793 H1 TIP3 7816 37.709 19.801 1.449 1.00 0.00 WT1 H ATOM 22794 H2 TIP3 7816 38.419 19.932 2.779 1.00 0.00 WT1 H ATOM 22795 OH2 TIP3 7817 85.692 46.743 26.639 1.00 0.00 WT1 O ATOM 22796 H1 TIP3 7817 85.826 47.554 27.129 1.00 0.00 WT1 H ATOM 22797 H2 TIP3 7817 85.145 46.205 27.211 1.00 0.00 WT1 H ATOM 22798 OH2 TIP3 7818 44.229 65.214 -16.559 1.00 0.00 WT1 O ATOM 22799 H1 TIP3 7818 43.567 65.867 -16.785 1.00 0.00 WT1 H ATOM 22800 H2 TIP3 7818 44.895 65.301 -17.241 1.00 0.00 WT1 H ATOM 22801 OH2 TIP3 7819 34.831 23.843 54.820 1.00 0.00 WT1 O ATOM 22802 H1 TIP3 7819 34.934 24.441 55.560 1.00 0.00 WT1 H ATOM 22803 H2 TIP3 7819 35.285 24.275 54.097 1.00 0.00 WT1 H ATOM 22804 OH2 TIP3 7820 46.086 75.182 -8.148 1.00 0.00 WT1 O ATOM 22805 H1 TIP3 7820 46.502 74.594 -7.517 1.00 0.00 WT1 H ATOM 22806 H2 TIP3 7820 46.141 74.717 -8.982 1.00 0.00 WT1 H ATOM 22807 OH2 TIP3 7821 31.016 45.856 8.797 1.00 0.00 WT1 O ATOM 22808 H1 TIP3 7821 31.270 46.753 9.010 1.00 0.00 WT1 H ATOM 22809 H2 TIP3 7821 30.228 45.951 8.261 1.00 0.00 WT1 H ATOM 22810 OH2 TIP3 7822 76.119 34.990 40.896 1.00 0.00 WT1 O ATOM 22811 H1 TIP3 7822 75.720 35.833 41.113 1.00 0.00 WT1 H ATOM 22812 H2 TIP3 7822 77.023 35.067 41.200 1.00 0.00 WT1 H ATOM 22813 OH2 TIP3 7823 81.389 63.681 27.053 1.00 0.00 WT1 O ATOM 22814 H1 TIP3 7823 82.269 63.913 27.350 1.00 0.00 WT1 H ATOM 22815 H2 TIP3 7823 81.532 63.032 26.364 1.00 0.00 WT1 H ATOM 22816 OH2 TIP3 7824 76.127 15.338 0.685 1.00 0.00 WT1 O ATOM 22817 H1 TIP3 7824 76.037 15.195 1.627 1.00 0.00 WT1 H ATOM 22818 H2 TIP3 7824 77.069 15.285 0.523 1.00 0.00 WT1 H ATOM 22819 OH2 TIP3 7825 81.340 47.365 -13.168 1.00 0.00 WT1 O ATOM 22820 H1 TIP3 7825 82.034 47.240 -13.815 1.00 0.00 WT1 H ATOM 22821 H2 TIP3 7825 81.502 48.237 -12.808 1.00 0.00 WT1 H ATOM 22822 OH2 TIP3 7826 36.421 57.976 13.230 1.00 0.00 WT1 O ATOM 22823 H1 TIP3 7826 37.181 57.666 13.723 1.00 0.00 WT1 H ATOM 22824 H2 TIP3 7826 36.743 58.733 12.742 1.00 0.00 WT1 H ATOM 22825 OH2 TIP3 7827 90.209 6.260 57.012 1.00 0.00 WT1 O ATOM 22826 H1 TIP3 7827 90.240 5.335 56.768 1.00 0.00 WT1 H ATOM 22827 H2 TIP3 7827 90.458 6.273 57.936 1.00 0.00 WT1 H ATOM 22828 OH2 TIP3 7828 85.066 68.704 52.519 1.00 0.00 WT1 O ATOM 22829 H1 TIP3 7828 85.425 69.591 52.518 1.00 0.00 WT1 H ATOM 22830 H2 TIP3 7828 84.193 68.799 52.136 1.00 0.00 WT1 H ATOM 22831 OH2 TIP3 7829 79.188 47.480 37.659 1.00 0.00 WT1 O ATOM 22832 H1 TIP3 7829 79.836 47.267 38.331 1.00 0.00 WT1 H ATOM 22833 H2 TIP3 7829 78.404 47.725 38.151 1.00 0.00 WT1 H ATOM 22834 OH2 TIP3 7830 39.980 35.692 30.968 1.00 0.00 WT1 O ATOM 22835 H1 TIP3 7830 40.935 35.673 31.024 1.00 0.00 WT1 H ATOM 22836 H2 TIP3 7830 39.730 36.505 31.408 1.00 0.00 WT1 H ATOM 22837 OH2 TIP3 7831 53.264 47.062 19.456 1.00 0.00 WT1 O ATOM 22838 H1 TIP3 7831 53.065 47.991 19.567 1.00 0.00 WT1 H ATOM 22839 H2 TIP3 7831 52.412 46.648 19.321 1.00 0.00 WT1 H ATOM 22840 OH2 TIP3 7832 46.734 7.116 63.135 1.00 0.00 WT1 O ATOM 22841 H1 TIP3 7832 47.105 6.242 63.013 1.00 0.00 WT1 H ATOM 22842 H2 TIP3 7832 47.495 7.694 63.188 1.00 0.00 WT1 H ATOM 22843 OH2 TIP3 7833 63.947 54.029 4.840 1.00 0.00 WT1 O ATOM 22844 H1 TIP3 7833 63.635 53.213 5.229 1.00 0.00 WT1 H ATOM 22845 H2 TIP3 7833 63.482 54.716 5.317 1.00 0.00 WT1 H ATOM 22846 OH2 TIP3 7834 49.101 44.739 34.959 1.00 0.00 WT1 O ATOM 22847 H1 TIP3 7834 49.841 45.346 34.939 1.00 0.00 WT1 H ATOM 22848 H2 TIP3 7834 49.228 44.180 34.192 1.00 0.00 WT1 H ATOM 22849 OH2 TIP3 7835 62.680 21.932 -12.562 1.00 0.00 WT1 O ATOM 22850 H1 TIP3 7835 61.787 21.793 -12.247 1.00 0.00 WT1 H ATOM 22851 H2 TIP3 7835 62.582 22.526 -13.307 1.00 0.00 WT1 H ATOM 22852 OH2 TIP3 7836 79.561 53.744 -1.033 1.00 0.00 WT1 O ATOM 22853 H1 TIP3 7836 78.739 53.407 -0.678 1.00 0.00 WT1 H ATOM 22854 H2 TIP3 7836 79.295 54.435 -1.639 1.00 0.00 WT1 H ATOM 22855 OH2 TIP3 7837 29.443 85.840 0.218 1.00 0.00 WT1 O ATOM 22856 H1 TIP3 7837 29.580 84.893 0.212 1.00 0.00 WT1 H ATOM 22857 H2 TIP3 7837 29.835 86.135 1.040 1.00 0.00 WT1 H ATOM 22858 OH2 TIP3 7838 20.197 73.868 66.270 1.00 0.00 WT1 O ATOM 22859 H1 TIP3 7838 20.914 73.259 66.092 1.00 0.00 WT1 H ATOM 22860 H2 TIP3 7838 20.614 74.729 66.292 1.00 0.00 WT1 H ATOM 22861 OH2 TIP3 7839 27.722 34.139 47.406 1.00 0.00 WT1 O ATOM 22862 H1 TIP3 7839 27.352 34.867 46.907 1.00 0.00 WT1 H ATOM 22863 H2 TIP3 7839 28.590 34.003 47.025 1.00 0.00 WT1 H ATOM 22864 OH2 TIP3 7840 49.566 61.070 -7.375 1.00 0.00 WT1 O ATOM 22865 H1 TIP3 7840 49.142 60.326 -6.946 1.00 0.00 WT1 H ATOM 22866 H2 TIP3 7840 49.277 61.832 -6.873 1.00 0.00 WT1 H ATOM 22867 OH2 TIP3 7841 53.875 85.442 22.996 1.00 0.00 WT1 O ATOM 22868 H1 TIP3 7841 54.081 85.220 22.088 1.00 0.00 WT1 H ATOM 22869 H2 TIP3 7841 54.256 84.729 23.509 1.00 0.00 WT1 H ATOM 22870 OH2 TIP3 7842 31.415 2.456 20.555 1.00 0.00 WT1 O ATOM 22871 H1 TIP3 7842 32.336 2.567 20.318 1.00 0.00 WT1 H ATOM 22872 H2 TIP3 7842 31.115 3.340 20.769 1.00 0.00 WT1 H ATOM 22873 OH2 TIP3 7843 24.143 15.769 62.998 1.00 0.00 WT1 O ATOM 22874 H1 TIP3 7843 23.694 16.589 63.202 1.00 0.00 WT1 H ATOM 22875 H2 TIP3 7843 24.160 15.292 63.827 1.00 0.00 WT1 H ATOM 22876 OH2 TIP3 7844 79.050 51.760 18.468 1.00 0.00 WT1 O ATOM 22877 H1 TIP3 7844 79.884 51.306 18.586 1.00 0.00 WT1 H ATOM 22878 H2 TIP3 7844 78.590 51.636 19.299 1.00 0.00 WT1 H ATOM 22879 OH2 TIP3 7845 79.255 41.628 33.268 1.00 0.00 WT1 O ATOM 22880 H1 TIP3 7845 79.279 41.666 32.311 1.00 0.00 WT1 H ATOM 22881 H2 TIP3 7845 79.051 40.714 33.467 1.00 0.00 WT1 H ATOM 22882 OH2 TIP3 7846 73.158 39.031 49.314 1.00 0.00 WT1 O ATOM 22883 H1 TIP3 7846 72.218 38.879 49.209 1.00 0.00 WT1 H ATOM 22884 H2 TIP3 7846 73.565 38.204 49.059 1.00 0.00 WT1 H ATOM 22885 OH2 TIP3 7847 69.063 60.728 2.983 1.00 0.00 WT1 O ATOM 22886 H1 TIP3 7847 68.624 60.634 3.828 1.00 0.00 WT1 H ATOM 22887 H2 TIP3 7847 68.956 61.652 2.758 1.00 0.00 WT1 H ATOM 22888 OH2 TIP3 7849 78.551 29.230 -15.359 1.00 0.00 WT1 O ATOM 22889 H1 TIP3 7849 77.819 28.709 -15.690 1.00 0.00 WT1 H ATOM 22890 H2 TIP3 7849 78.728 28.871 -14.490 1.00 0.00 WT1 H ATOM 22891 OH2 TIP3 7850 75.453 56.558 35.249 1.00 0.00 WT1 O ATOM 22892 H1 TIP3 7850 74.689 56.536 34.674 1.00 0.00 WT1 H ATOM 22893 H2 TIP3 7850 76.130 56.996 34.733 1.00 0.00 WT1 H ATOM 22894 OH2 TIP3 7851 68.417 34.987 8.271 1.00 0.00 WT1 O ATOM 22895 H1 TIP3 7851 68.643 34.945 9.200 1.00 0.00 WT1 H ATOM 22896 H2 TIP3 7851 67.802 35.718 8.207 1.00 0.00 WT1 H ATOM 22897 OH2 TIP3 7852 75.727 36.737 -17.335 1.00 0.00 WT1 O ATOM 22898 H1 TIP3 7852 75.831 37.232 -18.147 1.00 0.00 WT1 H ATOM 22899 H2 TIP3 7852 76.307 37.174 -16.711 1.00 0.00 WT1 H ATOM 22900 OH2 TIP3 7853 82.985 12.426 56.187 1.00 0.00 WT1 O ATOM 22901 H1 TIP3 7853 82.303 13.090 56.082 1.00 0.00 WT1 H ATOM 22902 H2 TIP3 7853 83.622 12.626 55.501 1.00 0.00 WT1 H ATOM 22903 OH2 TIP3 7854 84.904 23.655 -15.755 1.00 0.00 WT1 O ATOM 22904 H1 TIP3 7854 85.503 24.056 -16.385 1.00 0.00 WT1 H ATOM 22905 H2 TIP3 7854 85.265 23.887 -14.899 1.00 0.00 WT1 H ATOM 22906 OH2 TIP3 7856 60.920 25.216 -0.847 1.00 0.00 WT1 O ATOM 22907 H1 TIP3 7856 61.220 24.373 -1.187 1.00 0.00 WT1 H ATOM 22908 H2 TIP3 7856 60.145 25.003 -0.328 1.00 0.00 WT1 H ATOM 22909 OH2 TIP3 7857 86.096 7.214 10.196 1.00 0.00 WT1 O ATOM 22910 H1 TIP3 7857 85.526 7.978 10.283 1.00 0.00 WT1 H ATOM 22911 H2 TIP3 7857 86.421 7.257 9.297 1.00 0.00 WT1 H ATOM 22912 OH2 TIP3 7858 22.786 95.439 -4.039 1.00 0.00 WT1 O ATOM 22913 H1 TIP3 7858 22.238 94.735 -3.693 1.00 0.00 WT1 H ATOM 22914 H2 TIP3 7858 23.310 95.726 -3.291 1.00 0.00 WT1 H ATOM 22915 OH2 TIP3 7859 33.743 31.786 -3.995 1.00 0.00 WT1 O ATOM 22916 H1 TIP3 7859 33.134 32.307 -3.472 1.00 0.00 WT1 H ATOM 22917 H2 TIP3 7859 33.313 30.936 -4.088 1.00 0.00 WT1 H ATOM 22918 OH2 TIP3 7860 88.430 28.113 30.434 1.00 0.00 WT1 O ATOM 22919 H1 TIP3 7860 87.689 28.196 29.834 1.00 0.00 WT1 H ATOM 22920 H2 TIP3 7860 88.618 29.011 30.708 1.00 0.00 WT1 H ATOM 22921 OH2 TIP3 7861 60.945 50.260 4.588 1.00 0.00 WT1 O ATOM 22922 H1 TIP3 7861 61.456 49.529 4.937 1.00 0.00 WT1 H ATOM 22923 H2 TIP3 7861 61.442 51.040 4.836 1.00 0.00 WT1 H ATOM 22924 OH2 TIP3 7862 76.445 54.238 10.586 1.00 0.00 WT1 O ATOM 22925 H1 TIP3 7862 76.037 53.532 10.085 1.00 0.00 WT1 H ATOM 22926 H2 TIP3 7862 75.758 54.537 11.182 1.00 0.00 WT1 H ATOM 22927 OH2 TIP3 7863 36.119 81.767 40.960 1.00 0.00 WT1 O ATOM 22928 H1 TIP3 7863 36.884 81.398 40.517 1.00 0.00 WT1 H ATOM 22929 H2 TIP3 7863 36.465 82.130 41.775 1.00 0.00 WT1 H ATOM 22930 OH2 TIP3 7864 48.448 76.298 0.770 1.00 0.00 WT1 O ATOM 22931 H1 TIP3 7864 49.036 75.648 1.154 1.00 0.00 WT1 H ATOM 22932 H2 TIP3 7864 47.673 76.282 1.332 1.00 0.00 WT1 H ATOM 22933 OH2 TIP3 7865 60.545 40.689 -15.630 1.00 0.00 WT1 O ATOM 22934 H1 TIP3 7865 61.208 40.002 -15.555 1.00 0.00 WT1 H ATOM 22935 H2 TIP3 7865 59.978 40.560 -14.869 1.00 0.00 WT1 H ATOM 22936 OH2 TIP3 7866 65.948 22.848 24.354 1.00 0.00 WT1 O ATOM 22937 H1 TIP3 7866 65.327 23.553 24.539 1.00 0.00 WT1 H ATOM 22938 H2 TIP3 7866 65.491 22.050 24.621 1.00 0.00 WT1 H ATOM 22939 OH2 TIP3 7867 59.219 23.892 7.302 1.00 0.00 WT1 O ATOM 22940 H1 TIP3 7867 59.490 24.239 6.452 1.00 0.00 WT1 H ATOM 22941 H2 TIP3 7867 58.299 24.144 7.381 1.00 0.00 WT1 H ATOM 22942 OH2 TIP3 7868 83.313 1.289 57.787 1.00 0.00 WT1 O ATOM 22943 H1 TIP3 7868 83.642 2.132 57.473 1.00 0.00 WT1 H ATOM 22944 H2 TIP3 7868 83.342 1.360 58.741 1.00 0.00 WT1 H ATOM 22945 OH2 TIP3 7869 38.781 2.156 48.060 1.00 0.00 WT1 O ATOM 22946 H1 TIP3 7869 39.375 2.548 48.701 1.00 0.00 WT1 H ATOM 22947 H2 TIP3 7869 38.917 2.668 47.263 1.00 0.00 WT1 H ATOM 22948 OH2 TIP3 7870 49.439 20.051 -16.849 1.00 0.00 WT1 O ATOM 22949 H1 TIP3 7870 50.370 20.205 -16.685 1.00 0.00 WT1 H ATOM 22950 H2 TIP3 7870 49.421 19.501 -17.632 1.00 0.00 WT1 H ATOM 22951 OH2 TIP3 7871 61.661 83.014 57.219 1.00 0.00 WT1 O ATOM 22952 H1 TIP3 7871 62.134 82.385 56.676 1.00 0.00 WT1 H ATOM 22953 H2 TIP3 7871 60.760 82.691 57.231 1.00 0.00 WT1 H ATOM 22954 OH2 TIP3 7872 88.820 77.338 66.527 1.00 0.00 WT1 O ATOM 22955 H1 TIP3 7872 89.693 77.082 66.231 1.00 0.00 WT1 H ATOM 22956 H2 TIP3 7872 88.233 77.036 65.833 1.00 0.00 WT1 H ATOM 22957 OH2 TIP3 7874 21.109 61.895 26.210 1.00 0.00 WT1 O ATOM 22958 H1 TIP3 7874 21.697 61.605 25.512 1.00 0.00 WT1 H ATOM 22959 H2 TIP3 7874 20.498 61.167 26.327 1.00 0.00 WT1 H ATOM 22960 OH2 TIP3 7875 53.216 73.336 50.686 1.00 0.00 WT1 O ATOM 22961 H1 TIP3 7875 52.789 73.485 51.529 1.00 0.00 WT1 H ATOM 22962 H2 TIP3 7875 54.008 72.845 50.901 1.00 0.00 WT1 H ATOM 22963 OH2 TIP3 7877 72.978 72.995 1.201 1.00 0.00 WT1 O ATOM 22964 H1 TIP3 7877 72.434 72.731 1.944 1.00 0.00 WT1 H ATOM 22965 H2 TIP3 7877 72.414 72.876 0.437 1.00 0.00 WT1 H ATOM 22966 OH2 TIP3 7878 86.516 72.221 63.232 1.00 0.00 WT1 O ATOM 22967 H1 TIP3 7878 86.572 72.796 62.469 1.00 0.00 WT1 H ATOM 22968 H2 TIP3 7878 85.597 71.955 63.265 1.00 0.00 WT1 H ATOM 22969 OH2 TIP3 7879 28.242 90.004 64.441 1.00 0.00 WT1 O ATOM 22970 H1 TIP3 7879 28.152 90.649 63.739 1.00 0.00 WT1 H ATOM 22971 H2 TIP3 7879 28.917 89.402 64.128 1.00 0.00 WT1 H ATOM 22972 OH2 TIP3 7880 86.856 7.718 -8.143 1.00 0.00 WT1 O ATOM 22973 H1 TIP3 7880 87.122 8.052 -8.999 1.00 0.00 WT1 H ATOM 22974 H2 TIP3 7880 85.928 7.943 -8.076 1.00 0.00 WT1 H ATOM 22975 OH2 TIP3 7881 49.287 73.701 -10.616 1.00 0.00 WT1 O ATOM 22976 H1 TIP3 7881 49.684 73.104 -11.250 1.00 0.00 WT1 H ATOM 22977 H2 TIP3 7881 48.769 74.305 -11.147 1.00 0.00 WT1 H ATOM 22978 OH2 TIP3 7882 20.609 42.504 63.516 1.00 0.00 WT1 O ATOM 22979 H1 TIP3 7882 20.899 41.621 63.746 1.00 0.00 WT1 H ATOM 22980 H2 TIP3 7882 20.111 42.799 64.278 1.00 0.00 WT1 H ATOM 22981 OH2 TIP3 7883 87.062 69.784 -9.431 1.00 0.00 WT1 O ATOM 22982 H1 TIP3 7883 87.421 69.426 -8.619 1.00 0.00 WT1 H ATOM 22983 H2 TIP3 7883 86.327 70.329 -9.149 1.00 0.00 WT1 H ATOM 22984 OH2 TIP3 7884 25.506 50.877 11.942 1.00 0.00 WT1 O ATOM 22985 H1 TIP3 7884 26.344 51.100 11.538 1.00 0.00 WT1 H ATOM 22986 H2 TIP3 7884 25.035 50.391 11.265 1.00 0.00 WT1 H ATOM 22987 OH2 TIP3 7885 38.883 57.543 -3.038 1.00 0.00 WT1 O ATOM 22988 H1 TIP3 7885 38.922 58.061 -3.842 1.00 0.00 WT1 H ATOM 22989 H2 TIP3 7885 38.807 58.192 -2.338 1.00 0.00 WT1 H ATOM 22990 OH2 TIP3 7886 86.349 20.159 3.295 1.00 0.00 WT1 O ATOM 22991 H1 TIP3 7886 86.216 20.324 2.362 1.00 0.00 WT1 H ATOM 22992 H2 TIP3 7886 87.186 19.696 3.341 1.00 0.00 WT1 H ATOM 22993 OH2 TIP3 7887 88.603 51.005 2.620 1.00 0.00 WT1 O ATOM 22994 H1 TIP3 7887 88.411 50.533 3.430 1.00 0.00 WT1 H ATOM 22995 H2 TIP3 7887 88.961 51.844 2.910 1.00 0.00 WT1 H ATOM 22996 OH2 TIP3 7889 58.095 56.700 -14.779 1.00 0.00 WT1 O ATOM 22997 H1 TIP3 7889 57.384 57.037 -15.325 1.00 0.00 WT1 H ATOM 22998 H2 TIP3 7889 57.978 55.750 -14.792 1.00 0.00 WT1 H ATOM 22999 OH2 TIP3 7890 37.986 24.992 17.429 1.00 0.00 WT1 O ATOM 23000 H1 TIP3 7890 37.071 24.789 17.233 1.00 0.00 WT1 H ATOM 23001 H2 TIP3 7890 38.098 24.736 18.345 1.00 0.00 WT1 H ATOM 23002 OH2 TIP3 7891 25.814 55.593 23.067 1.00 0.00 WT1 O ATOM 23003 H1 TIP3 7891 26.077 54.816 22.573 1.00 0.00 WT1 H ATOM 23004 H2 TIP3 7891 26.409 56.280 22.768 1.00 0.00 WT1 H ATOM 23005 OH2 TIP3 7892 27.604 60.263 38.442 1.00 0.00 WT1 O ATOM 23006 H1 TIP3 7892 28.090 61.026 38.127 1.00 0.00 WT1 H ATOM 23007 H2 TIP3 7892 27.802 59.574 37.807 1.00 0.00 WT1 H ATOM 23008 OH2 TIP3 7893 21.715 30.020 47.630 1.00 0.00 WT1 O ATOM 23009 H1 TIP3 7893 22.196 30.806 47.888 1.00 0.00 WT1 H ATOM 23010 H2 TIP3 7893 22.379 29.449 47.243 1.00 0.00 WT1 H ATOM 23011 OH2 TIP3 7895 73.760 17.932 53.762 1.00 0.00 WT1 O ATOM 23012 H1 TIP3 7895 73.136 18.250 54.415 1.00 0.00 WT1 H ATOM 23013 H2 TIP3 7895 74.121 18.726 53.367 1.00 0.00 WT1 H ATOM 23014 OH2 TIP3 7896 83.504 42.657 36.265 1.00 0.00 WT1 O ATOM 23015 H1 TIP3 7896 82.943 42.125 35.701 1.00 0.00 WT1 H ATOM 23016 H2 TIP3 7896 83.719 42.083 37.000 1.00 0.00 WT1 H ATOM 23017 OH2 TIP3 7897 40.344 3.151 55.412 1.00 0.00 WT1 O ATOM 23018 H1 TIP3 7897 39.695 2.584 55.828 1.00 0.00 WT1 H ATOM 23019 H2 TIP3 7897 41.144 3.014 55.919 1.00 0.00 WT1 H ATOM 23020 OH2 TIP3 7899 82.251 69.857 64.487 1.00 0.00 WT1 O ATOM 23021 H1 TIP3 7899 82.372 68.915 64.367 1.00 0.00 WT1 H ATOM 23022 H2 TIP3 7899 81.317 69.958 64.671 1.00 0.00 WT1 H ATOM 23023 OH2 TIP3 7900 34.182 95.549 18.405 1.00 0.00 WT1 O ATOM 23024 H1 TIP3 7900 33.314 95.647 18.799 1.00 0.00 WT1 H ATOM 23025 H2 TIP3 7900 34.007 95.312 17.494 1.00 0.00 WT1 H ATOM 23026 OH2 TIP3 7901 22.941 62.500 -9.360 1.00 0.00 WT1 O ATOM 23027 H1 TIP3 7901 23.882 62.657 -9.436 1.00 0.00 WT1 H ATOM 23028 H2 TIP3 7901 22.547 63.079 -10.013 1.00 0.00 WT1 H ATOM 23029 OH2 TIP3 7902 48.913 89.923 29.213 1.00 0.00 WT1 O ATOM 23030 H1 TIP3 7902 48.293 90.448 28.706 1.00 0.00 WT1 H ATOM 23031 H2 TIP3 7902 48.693 89.017 28.995 1.00 0.00 WT1 H ATOM 23032 OH2 TIP3 7904 31.171 96.323 0.217 1.00 0.00 WT1 O ATOM 23033 H1 TIP3 7904 30.647 95.548 0.422 1.00 0.00 WT1 H ATOM 23034 H2 TIP3 7904 32.045 95.979 0.032 1.00 0.00 WT1 H ATOM 23035 OH2 TIP3 7905 71.091 38.217 1.631 1.00 0.00 WT1 O ATOM 23036 H1 TIP3 7905 70.851 37.430 2.119 1.00 0.00 WT1 H ATOM 23037 H2 TIP3 7905 71.982 38.416 1.919 1.00 0.00 WT1 H ATOM 23038 OH2 TIP3 7906 75.415 27.307 19.947 1.00 0.00 WT1 O ATOM 23039 H1 TIP3 7906 76.164 27.809 19.625 1.00 0.00 WT1 H ATOM 23040 H2 TIP3 7906 75.104 26.822 19.183 1.00 0.00 WT1 H ATOM 23041 OH2 TIP3 7907 53.008 49.273 -13.364 1.00 0.00 WT1 O ATOM 23042 H1 TIP3 7907 53.311 48.463 -13.774 1.00 0.00 WT1 H ATOM 23043 H2 TIP3 7907 52.960 49.066 -12.431 1.00 0.00 WT1 H ATOM 23044 OH2 TIP3 7908 71.124 96.184 5.220 1.00 0.00 WT1 O ATOM 23045 H1 TIP3 7908 70.181 96.128 5.376 1.00 0.00 WT1 H ATOM 23046 H2 TIP3 7908 71.518 95.741 5.971 1.00 0.00 WT1 H ATOM 23047 OH2 TIP3 7909 58.206 58.970 -9.131 1.00 0.00 WT1 O ATOM 23048 H1 TIP3 7909 58.737 58.179 -9.032 1.00 0.00 WT1 H ATOM 23049 H2 TIP3 7909 57.785 59.085 -8.279 1.00 0.00 WT1 H ATOM 23050 OH2 TIP3 7910 51.715 72.629 48.622 1.00 0.00 WT1 O ATOM 23051 H1 TIP3 7910 52.369 72.889 49.271 1.00 0.00 WT1 H ATOM 23052 H2 TIP3 7910 52.200 72.091 47.996 1.00 0.00 WT1 H ATOM 23053 OH2 TIP3 7911 84.627 48.848 50.622 1.00 0.00 WT1 O ATOM 23054 H1 TIP3 7911 84.404 48.326 51.392 1.00 0.00 WT1 H ATOM 23055 H2 TIP3 7911 85.541 49.098 50.758 1.00 0.00 WT1 H ATOM 23056 OH2 TIP3 7912 38.763 66.242 -1.089 1.00 0.00 WT1 O ATOM 23057 H1 TIP3 7912 39.563 66.767 -1.067 1.00 0.00 WT1 H ATOM 23058 H2 TIP3 7912 38.685 65.886 -0.204 1.00 0.00 WT1 H ATOM 23059 OH2 TIP3 7913 81.337 80.990 -18.400 1.00 0.00 WT1 O ATOM 23060 H1 TIP3 7913 82.158 80.919 -17.913 1.00 0.00 WT1 H ATOM 23061 H2 TIP3 7913 80.705 81.317 -17.760 1.00 0.00 WT1 H ATOM 23062 OH2 TIP3 7914 61.783 37.453 45.642 1.00 0.00 WT1 O ATOM 23063 H1 TIP3 7914 62.310 37.488 44.843 1.00 0.00 WT1 H ATOM 23064 H2 TIP3 7914 62.382 37.731 46.335 1.00 0.00 WT1 H ATOM 23065 OH2 TIP3 7915 59.060 69.493 57.225 1.00 0.00 WT1 O ATOM 23066 H1 TIP3 7915 59.694 68.828 56.956 1.00 0.00 WT1 H ATOM 23067 H2 TIP3 7915 58.254 69.003 57.391 1.00 0.00 WT1 H ATOM 23068 OH2 TIP3 7916 31.735 38.105 32.339 1.00 0.00 WT1 O ATOM 23069 H1 TIP3 7916 32.467 38.718 32.412 1.00 0.00 WT1 H ATOM 23070 H2 TIP3 7916 32.029 37.455 31.701 1.00 0.00 WT1 H ATOM 23071 OH2 TIP3 7917 28.370 69.451 16.756 1.00 0.00 WT1 O ATOM 23072 H1 TIP3 7917 28.668 68.646 17.180 1.00 0.00 WT1 H ATOM 23073 H2 TIP3 7917 29.127 69.751 16.253 1.00 0.00 WT1 H ATOM 23074 OH2 TIP3 7918 31.912 38.480 39.032 1.00 0.00 WT1 O ATOM 23075 H1 TIP3 7918 31.423 39.067 38.455 1.00 0.00 WT1 H ATOM 23076 H2 TIP3 7918 32.622 38.143 38.485 1.00 0.00 WT1 H ATOM 23077 OH2 TIP3 7919 23.044 25.003 22.872 1.00 0.00 WT1 O ATOM 23078 H1 TIP3 7919 22.267 25.562 22.866 1.00 0.00 WT1 H ATOM 23079 H2 TIP3 7919 23.634 25.405 22.235 1.00 0.00 WT1 H ATOM 23080 OH2 TIP3 7920 46.462 89.307 64.015 1.00 0.00 WT1 O ATOM 23081 H1 TIP3 7920 47.257 88.785 64.128 1.00 0.00 WT1 H ATOM 23082 H2 TIP3 7920 46.727 90.028 63.445 1.00 0.00 WT1 H ATOM 23083 OH2 TIP3 7921 89.935 41.016 -0.969 1.00 0.00 WT1 O ATOM 23084 H1 TIP3 7921 89.983 40.098 -1.237 1.00 0.00 WT1 H ATOM 23085 H2 TIP3 7921 90.376 41.042 -0.120 1.00 0.00 WT1 H ATOM 23086 OH2 TIP3 7922 66.594 85.702 -14.293 1.00 0.00 WT1 O ATOM 23087 H1 TIP3 7922 65.980 85.008 -14.053 1.00 0.00 WT1 H ATOM 23088 H2 TIP3 7922 66.431 85.854 -15.224 1.00 0.00 WT1 H ATOM 23089 OH2 TIP3 7923 84.858 88.472 -17.054 1.00 0.00 WT1 O ATOM 23090 H1 TIP3 7923 84.519 88.017 -17.825 1.00 0.00 WT1 H ATOM 23091 H2 TIP3 7923 84.923 87.791 -16.384 1.00 0.00 WT1 H ATOM 23092 OH2 TIP3 7924 87.403 45.092 4.172 1.00 0.00 WT1 O ATOM 23093 H1 TIP3 7924 88.088 44.432 4.282 1.00 0.00 WT1 H ATOM 23094 H2 TIP3 7924 87.869 45.874 3.876 1.00 0.00 WT1 H ATOM 23095 OH2 TIP3 7925 56.442 73.888 -14.353 1.00 0.00 WT1 O ATOM 23096 H1 TIP3 7925 56.173 73.069 -13.937 1.00 0.00 WT1 H ATOM 23097 H2 TIP3 7925 57.115 73.628 -14.983 1.00 0.00 WT1 H ATOM 23098 OH2 TIP3 7926 70.202 71.971 65.699 1.00 0.00 WT1 O ATOM 23099 H1 TIP3 7926 69.429 71.985 65.134 1.00 0.00 WT1 H ATOM 23100 H2 TIP3 7926 70.138 71.143 66.174 1.00 0.00 WT1 H ATOM 23101 OH2 TIP3 7927 74.801 12.525 49.288 1.00 0.00 WT1 O ATOM 23102 H1 TIP3 7927 74.676 13.374 48.863 1.00 0.00 WT1 H ATOM 23103 H2 TIP3 7927 74.091 12.471 49.927 1.00 0.00 WT1 H ATOM 23104 OH2 TIP3 7928 75.968 87.187 42.475 1.00 0.00 WT1 O ATOM 23105 H1 TIP3 7928 76.077 86.703 41.656 1.00 0.00 WT1 H ATOM 23106 H2 TIP3 7928 75.336 86.673 42.976 1.00 0.00 WT1 H ATOM 23107 OH2 TIP3 7929 43.241 2.812 50.272 1.00 0.00 WT1 O ATOM 23108 H1 TIP3 7929 42.670 2.144 49.893 1.00 0.00 WT1 H ATOM 23109 H2 TIP3 7929 43.949 2.317 50.683 1.00 0.00 WT1 H ATOM 23110 OH2 TIP3 7930 84.671 96.707 43.098 1.00 0.00 WT1 O ATOM 23111 H1 TIP3 7930 83.752 96.477 42.962 1.00 0.00 WT1 H ATOM 23112 H2 TIP3 7930 85.153 95.908 42.885 1.00 0.00 WT1 H ATOM 23113 OH2 TIP3 7931 27.431 52.245 51.738 1.00 0.00 WT1 O ATOM 23114 H1 TIP3 7931 27.779 52.190 52.628 1.00 0.00 WT1 H ATOM 23115 H2 TIP3 7931 27.871 51.540 51.264 1.00 0.00 WT1 H ATOM 23116 OH2 TIP3 7932 24.864 55.088 -0.647 1.00 0.00 WT1 O ATOM 23117 H1 TIP3 7932 25.246 55.813 -1.141 1.00 0.00 WT1 H ATOM 23118 H2 TIP3 7932 25.109 55.261 0.262 1.00 0.00 WT1 H ATOM 23119 OH2 TIP3 7933 36.476 28.648 36.394 1.00 0.00 WT1 O ATOM 23120 H1 TIP3 7933 37.059 28.068 36.883 1.00 0.00 WT1 H ATOM 23121 H2 TIP3 7933 37.020 29.403 36.170 1.00 0.00 WT1 H ATOM 23122 OH2 TIP3 7934 75.492 58.598 36.925 1.00 0.00 WT1 O ATOM 23123 H1 TIP3 7934 74.606 58.830 37.204 1.00 0.00 WT1 H ATOM 23124 H2 TIP3 7934 75.387 57.772 36.454 1.00 0.00 WT1 H ATOM 23125 OH2 TIP3 7935 80.791 47.799 52.438 1.00 0.00 WT1 O ATOM 23126 H1 TIP3 7935 81.206 47.848 53.299 1.00 0.00 WT1 H ATOM 23127 H2 TIP3 7935 80.353 48.644 52.335 1.00 0.00 WT1 H ATOM 23128 OH2 TIP3 7936 68.378 46.398 17.327 1.00 0.00 WT1 O ATOM 23129 H1 TIP3 7936 68.232 45.469 17.509 1.00 0.00 WT1 H ATOM 23130 H2 TIP3 7936 67.602 46.671 16.837 1.00 0.00 WT1 H ATOM 23131 OH2 TIP3 7937 42.826 78.249 33.606 1.00 0.00 WT1 O ATOM 23132 H1 TIP3 7937 43.347 77.534 33.239 1.00 0.00 WT1 H ATOM 23133 H2 TIP3 7937 42.034 77.824 33.935 1.00 0.00 WT1 H ATOM 23134 OH2 TIP3 7938 51.188 89.494 -4.177 1.00 0.00 WT1 O ATOM 23135 H1 TIP3 7938 50.447 88.898 -4.065 1.00 0.00 WT1 H ATOM 23136 H2 TIP3 7938 51.841 88.980 -4.650 1.00 0.00 WT1 H ATOM 23137 OH2 TIP3 7939 24.572 77.050 27.948 1.00 0.00 WT1 O ATOM 23138 H1 TIP3 7939 23.906 76.904 27.276 1.00 0.00 WT1 H ATOM 23139 H2 TIP3 7939 24.400 76.377 28.607 1.00 0.00 WT1 H ATOM 23140 OH2 TIP3 7940 82.576 40.938 2.752 1.00 0.00 WT1 O ATOM 23141 H1 TIP3 7940 83.044 40.187 2.387 1.00 0.00 WT1 H ATOM 23142 H2 TIP3 7940 83.225 41.643 2.763 1.00 0.00 WT1 H ATOM 23143 OH2 TIP3 7941 53.235 7.951 1.783 1.00 0.00 WT1 O ATOM 23144 H1 TIP3 7941 52.712 8.490 2.376 1.00 0.00 WT1 H ATOM 23145 H2 TIP3 7941 54.099 7.911 2.193 1.00 0.00 WT1 H ATOM 23146 OH2 TIP3 7942 40.832 15.267 -2.072 1.00 0.00 WT1 O ATOM 23147 H1 TIP3 7942 41.683 15.704 -2.035 1.00 0.00 WT1 H ATOM 23148 H2 TIP3 7942 40.932 14.499 -1.509 1.00 0.00 WT1 H ATOM 23149 OH2 TIP3 7943 88.693 22.055 1.918 1.00 0.00 WT1 O ATOM 23150 H1 TIP3 7943 89.284 22.564 1.363 1.00 0.00 WT1 H ATOM 23151 H2 TIP3 7943 88.955 22.274 2.812 1.00 0.00 WT1 H ATOM 23152 OH2 TIP3 7944 50.771 74.471 61.476 1.00 0.00 WT1 O ATOM 23153 H1 TIP3 7944 50.453 73.665 61.068 1.00 0.00 WT1 H ATOM 23154 H2 TIP3 7944 50.041 75.085 61.394 1.00 0.00 WT1 H ATOM 23155 OH2 TIP3 7945 44.643 90.272 -3.445 1.00 0.00 WT1 O ATOM 23156 H1 TIP3 7945 44.851 90.498 -2.539 1.00 0.00 WT1 H ATOM 23157 H2 TIP3 7945 44.797 91.079 -3.936 1.00 0.00 WT1 H ATOM 23158 OH2 TIP3 7946 36.523 65.887 -5.261 1.00 0.00 WT1 O ATOM 23159 H1 TIP3 7946 35.850 66.524 -5.020 1.00 0.00 WT1 H ATOM 23160 H2 TIP3 7946 36.123 65.368 -5.959 1.00 0.00 WT1 H ATOM 23161 OH2 TIP3 7947 28.399 5.908 -11.494 1.00 0.00 WT1 O ATOM 23162 H1 TIP3 7947 28.915 5.152 -11.774 1.00 0.00 WT1 H ATOM 23163 H2 TIP3 7947 28.172 5.719 -10.584 1.00 0.00 WT1 H ATOM 23164 OH2 TIP3 7948 37.364 22.475 14.973 1.00 0.00 WT1 O ATOM 23165 H1 TIP3 7948 37.510 23.413 14.849 1.00 0.00 WT1 H ATOM 23166 H2 TIP3 7948 38.227 22.080 14.849 1.00 0.00 WT1 H ATOM 23167 OH2 TIP3 7949 42.332 64.847 57.488 1.00 0.00 WT1 O ATOM 23168 H1 TIP3 7949 42.769 65.551 57.967 1.00 0.00 WT1 H ATOM 23169 H2 TIP3 7949 42.956 64.599 56.805 1.00 0.00 WT1 H ATOM 23170 OH2 TIP3 7950 82.967 85.220 20.752 1.00 0.00 WT1 O ATOM 23171 H1 TIP3 7950 82.072 85.341 21.069 1.00 0.00 WT1 H ATOM 23172 H2 TIP3 7950 83.395 84.702 21.435 1.00 0.00 WT1 H ATOM 23173 OH2 TIP3 7951 48.352 46.181 -8.871 1.00 0.00 WT1 O ATOM 23174 H1 TIP3 7951 48.913 46.193 -8.096 1.00 0.00 WT1 H ATOM 23175 H2 TIP3 7951 48.903 45.812 -9.561 1.00 0.00 WT1 H ATOM 23176 OH2 TIP3 7952 32.279 34.071 -2.398 1.00 0.00 WT1 O ATOM 23177 H1 TIP3 7952 32.506 34.376 -3.277 1.00 0.00 WT1 H ATOM 23178 H2 TIP3 7952 33.066 34.231 -1.878 1.00 0.00 WT1 H ATOM 23179 OH2 TIP3 7953 83.355 6.996 -17.693 1.00 0.00 WT1 O ATOM 23180 H1 TIP3 7953 84.309 6.971 -17.621 1.00 0.00 WT1 H ATOM 23181 H2 TIP3 7953 83.052 7.185 -16.805 1.00 0.00 WT1 H ATOM 23182 OH2 TIP3 7954 71.526 41.580 60.833 1.00 0.00 WT1 O ATOM 23183 H1 TIP3 7954 70.831 41.702 60.187 1.00 0.00 WT1 H ATOM 23184 H2 TIP3 7954 72.201 41.085 60.368 1.00 0.00 WT1 H ATOM 23185 OH2 TIP3 7955 72.411 2.469 3.464 1.00 0.00 WT1 O ATOM 23186 H1 TIP3 7955 71.688 2.819 2.944 1.00 0.00 WT1 H ATOM 23187 H2 TIP3 7955 73.133 3.079 3.313 1.00 0.00 WT1 H ATOM 23188 OH2 TIP3 7956 81.028 53.558 19.450 1.00 0.00 WT1 O ATOM 23189 H1 TIP3 7956 80.195 53.271 19.074 1.00 0.00 WT1 H ATOM 23190 H2 TIP3 7956 80.782 54.207 20.109 1.00 0.00 WT1 H ATOM 23191 OH2 TIP3 7957 69.182 88.938 62.716 1.00 0.00 WT1 O ATOM 23192 H1 TIP3 7957 69.842 89.631 62.686 1.00 0.00 WT1 H ATOM 23193 H2 TIP3 7957 69.372 88.461 63.523 1.00 0.00 WT1 H ATOM 23194 OH2 TIP3 7958 59.793 87.830 29.554 1.00 0.00 WT1 O ATOM 23195 H1 TIP3 7958 60.345 88.448 30.031 1.00 0.00 WT1 H ATOM 23196 H2 TIP3 7958 59.137 87.551 30.193 1.00 0.00 WT1 H ATOM 23197 OH2 TIP3 7959 72.695 19.228 6.868 1.00 0.00 WT1 O ATOM 23198 H1 TIP3 7959 73.419 19.693 7.288 1.00 0.00 WT1 H ATOM 23199 H2 TIP3 7959 71.912 19.543 7.321 1.00 0.00 WT1 H ATOM 23200 OH2 TIP3 7960 68.985 21.156 31.697 1.00 0.00 WT1 O ATOM 23201 H1 TIP3 7960 68.692 22.062 31.800 1.00 0.00 WT1 H ATOM 23202 H2 TIP3 7960 69.133 21.057 30.757 1.00 0.00 WT1 H ATOM 23203 OH2 TIP3 7962 48.653 80.853 39.910 1.00 0.00 WT1 O ATOM 23204 H1 TIP3 7962 47.841 80.395 39.697 1.00 0.00 WT1 H ATOM 23205 H2 TIP3 7962 48.861 81.355 39.122 1.00 0.00 WT1 H ATOM 23206 OH2 TIP3 7963 31.209 22.208 57.219 1.00 0.00 WT1 O ATOM 23207 H1 TIP3 7963 31.985 22.514 57.689 1.00 0.00 WT1 H ATOM 23208 H2 TIP3 7963 31.353 22.481 56.313 1.00 0.00 WT1 H ATOM 23209 OH2 TIP3 7964 73.364 96.351 3.693 1.00 0.00 WT1 O ATOM 23210 H1 TIP3 7964 73.134 97.251 3.465 1.00 0.00 WT1 H ATOM 23211 H2 TIP3 7964 72.741 96.110 4.378 1.00 0.00 WT1 H ATOM 23212 OH2 TIP3 7965 67.057 30.960 15.330 1.00 0.00 WT1 O ATOM 23213 H1 TIP3 7965 66.253 30.506 15.580 1.00 0.00 WT1 H ATOM 23214 H2 TIP3 7965 66.889 31.879 15.539 1.00 0.00 WT1 H ATOM 23215 OH2 TIP3 7966 80.693 32.681 38.580 1.00 0.00 WT1 O ATOM 23216 H1 TIP3 7966 81.039 33.560 38.426 1.00 0.00 WT1 H ATOM 23217 H2 TIP3 7966 81.461 32.110 38.538 1.00 0.00 WT1 H ATOM 23218 OH2 TIP3 7967 82.034 30.586 -4.622 1.00 0.00 WT1 O ATOM 23219 H1 TIP3 7967 82.702 30.432 -3.953 1.00 0.00 WT1 H ATOM 23220 H2 TIP3 7967 81.653 31.433 -4.390 1.00 0.00 WT1 H ATOM 23221 OH2 TIP3 7968 29.071 21.718 7.549 1.00 0.00 WT1 O ATOM 23222 H1 TIP3 7968 29.427 21.651 6.663 1.00 0.00 WT1 H ATOM 23223 H2 TIP3 7968 29.647 22.339 7.993 1.00 0.00 WT1 H ATOM 23224 OH2 TIP3 7969 36.885 26.527 -14.774 1.00 0.00 WT1 O ATOM 23225 H1 TIP3 7969 37.053 26.926 -13.920 1.00 0.00 WT1 H ATOM 23226 H2 TIP3 7969 37.177 25.621 -14.678 1.00 0.00 WT1 H ATOM 23227 OH2 TIP3 7970 43.212 10.617 63.256 1.00 0.00 WT1 O ATOM 23228 H1 TIP3 7970 43.340 11.128 62.457 1.00 0.00 WT1 H ATOM 23229 H2 TIP3 7970 43.107 9.716 62.950 1.00 0.00 WT1 H ATOM 23230 OH2 TIP3 7971 89.578 94.366 -18.610 1.00 0.00 WT1 O ATOM 23231 H1 TIP3 7971 90.508 94.172 -18.723 1.00 0.00 WT1 H ATOM 23232 H2 TIP3 7971 89.537 95.321 -18.552 1.00 0.00 WT1 H ATOM 23233 OH2 TIP3 7972 26.854 34.877 5.444 1.00 0.00 WT1 O ATOM 23234 H1 TIP3 7972 27.382 35.562 5.034 1.00 0.00 WT1 H ATOM 23235 H2 TIP3 7972 27.378 34.582 6.188 1.00 0.00 WT1 H ATOM 23236 OH2 TIP3 7973 53.945 87.974 37.202 1.00 0.00 WT1 O ATOM 23237 H1 TIP3 7973 53.870 87.240 36.593 1.00 0.00 WT1 H ATOM 23238 H2 TIP3 7973 53.078 88.379 37.199 1.00 0.00 WT1 H ATOM 23239 OH2 TIP3 7974 85.902 42.466 39.570 1.00 0.00 WT1 O ATOM 23240 H1 TIP3 7974 85.841 43.274 39.062 1.00 0.00 WT1 H ATOM 23241 H2 TIP3 7974 85.356 42.624 40.340 1.00 0.00 WT1 H ATOM 23242 OH2 TIP3 7975 45.647 3.124 36.363 1.00 0.00 WT1 O ATOM 23243 H1 TIP3 7975 44.980 3.433 36.977 1.00 0.00 WT1 H ATOM 23244 H2 TIP3 7975 45.368 2.239 36.131 1.00 0.00 WT1 H ATOM 23245 OH2 TIP3 7976 41.125 22.400 61.970 1.00 0.00 WT1 O ATOM 23246 H1 TIP3 7976 41.592 21.587 61.774 1.00 0.00 WT1 H ATOM 23247 H2 TIP3 7976 41.148 22.465 62.925 1.00 0.00 WT1 H ATOM 23248 OH2 TIP3 7977 75.097 79.257 -1.972 1.00 0.00 WT1 O ATOM 23249 H1 TIP3 7977 76.014 79.116 -1.735 1.00 0.00 WT1 H ATOM 23250 H2 TIP3 7977 74.616 78.597 -1.473 1.00 0.00 WT1 H ATOM 23251 OH2 TIP3 7978 66.074 79.647 47.107 1.00 0.00 WT1 O ATOM 23252 H1 TIP3 7978 66.735 79.320 47.716 1.00 0.00 WT1 H ATOM 23253 H2 TIP3 7978 65.310 79.826 47.656 1.00 0.00 WT1 H ATOM 23254 OH2 TIP3 7979 33.859 54.431 36.796 1.00 0.00 WT1 O ATOM 23255 H1 TIP3 7979 33.902 55.379 36.914 1.00 0.00 WT1 H ATOM 23256 H2 TIP3 7979 34.766 54.136 36.885 1.00 0.00 WT1 H ATOM 23257 OH2 TIP3 7980 75.812 72.289 21.621 1.00 0.00 WT1 O ATOM 23258 H1 TIP3 7980 76.693 71.996 21.388 1.00 0.00 WT1 H ATOM 23259 H2 TIP3 7980 75.453 71.575 22.148 1.00 0.00 WT1 H ATOM 23260 OH2 TIP3 7981 43.174 7.430 25.305 1.00 0.00 WT1 O ATOM 23261 H1 TIP3 7981 43.021 7.426 26.250 1.00 0.00 WT1 H ATOM 23262 H2 TIP3 7981 42.837 8.277 25.011 1.00 0.00 WT1 H ATOM 23263 OH2 TIP3 7982 27.673 3.286 -13.809 1.00 0.00 WT1 O ATOM 23264 H1 TIP3 7982 26.835 3.741 -13.727 1.00 0.00 WT1 H ATOM 23265 H2 TIP3 7982 27.472 2.501 -14.319 1.00 0.00 WT1 H ATOM 23266 OH2 TIP3 7983 63.625 1.595 -16.774 1.00 0.00 WT1 O ATOM 23267 H1 TIP3 7983 63.926 1.388 -15.889 1.00 0.00 WT1 H ATOM 23268 H2 TIP3 7983 63.005 2.314 -16.654 1.00 0.00 WT1 H ATOM 23269 OH2 TIP3 7984 21.032 91.425 4.984 1.00 0.00 WT1 O ATOM 23270 H1 TIP3 7984 20.227 91.315 5.488 1.00 0.00 WT1 H ATOM 23271 H2 TIP3 7984 21.593 91.964 5.541 1.00 0.00 WT1 H ATOM 23272 OH2 TIP3 7985 35.780 79.742 -4.483 1.00 0.00 WT1 O ATOM 23273 H1 TIP3 7985 35.827 79.704 -3.528 1.00 0.00 WT1 H ATOM 23274 H2 TIP3 7985 35.293 78.956 -4.731 1.00 0.00 WT1 H ATOM 23275 OH2 TIP3 7986 74.870 10.033 -8.461 1.00 0.00 WT1 O ATOM 23276 H1 TIP3 7986 75.546 10.296 -9.086 1.00 0.00 WT1 H ATOM 23277 H2 TIP3 7986 74.221 10.736 -8.501 1.00 0.00 WT1 H ATOM 23278 OH2 TIP3 7987 70.484 91.578 63.111 1.00 0.00 WT1 O ATOM 23279 H1 TIP3 7987 70.036 91.766 63.936 1.00 0.00 WT1 H ATOM 23280 H2 TIP3 7987 71.412 91.713 63.305 1.00 0.00 WT1 H ATOM 23281 OH2 TIP3 7988 39.653 35.942 6.792 1.00 0.00 WT1 O ATOM 23282 H1 TIP3 7988 38.755 35.708 7.027 1.00 0.00 WT1 H ATOM 23283 H2 TIP3 7988 39.993 36.395 7.564 1.00 0.00 WT1 H ATOM 23284 OH2 TIP3 7989 39.693 18.511 -17.170 1.00 0.00 WT1 O ATOM 23285 H1 TIP3 7989 40.230 18.186 -16.447 1.00 0.00 WT1 H ATOM 23286 H2 TIP3 7989 38.792 18.401 -16.867 1.00 0.00 WT1 H ATOM 23287 OH2 TIP3 7990 90.450 65.823 24.509 1.00 0.00 WT1 O ATOM 23288 H1 TIP3 7990 90.502 65.052 25.074 1.00 0.00 WT1 H ATOM 23289 H2 TIP3 7990 90.111 65.489 23.678 1.00 0.00 WT1 H ATOM 23290 OH2 TIP3 7991 38.318 85.685 9.254 1.00 0.00 WT1 O ATOM 23291 H1 TIP3 7991 39.102 85.837 9.781 1.00 0.00 WT1 H ATOM 23292 H2 TIP3 7991 38.312 86.403 8.621 1.00 0.00 WT1 H ATOM 23293 OH2 TIP3 7992 38.660 75.635 61.081 1.00 0.00 WT1 O ATOM 23294 H1 TIP3 7992 39.402 75.115 60.773 1.00 0.00 WT1 H ATOM 23295 H2 TIP3 7992 38.205 75.901 60.282 1.00 0.00 WT1 H ATOM 23296 OH2 TIP3 7993 66.020 52.664 3.579 1.00 0.00 WT1 O ATOM 23297 H1 TIP3 7993 66.733 53.180 3.955 1.00 0.00 WT1 H ATOM 23298 H2 TIP3 7993 65.231 52.996 4.007 1.00 0.00 WT1 H ATOM 23299 OH2 TIP3 7994 27.712 64.257 24.339 1.00 0.00 WT1 O ATOM 23300 H1 TIP3 7994 27.910 64.466 25.252 1.00 0.00 WT1 H ATOM 23301 H2 TIP3 7994 28.557 64.314 23.892 1.00 0.00 WT1 H ATOM 23302 OH2 TIP3 7995 64.169 38.922 64.708 1.00 0.00 WT1 O ATOM 23303 H1 TIP3 7995 65.110 38.951 64.539 1.00 0.00 WT1 H ATOM 23304 H2 TIP3 7995 64.089 38.448 65.537 1.00 0.00 WT1 H ATOM 23305 OH2 TIP3 7996 34.633 92.989 23.388 1.00 0.00 WT1 O ATOM 23306 H1 TIP3 7996 35.032 93.483 24.104 1.00 0.00 WT1 H ATOM 23307 H2 TIP3 7996 34.598 93.608 22.659 1.00 0.00 WT1 H ATOM 23308 OH2 TIP3 7997 48.359 38.116 38.122 1.00 0.00 WT1 O ATOM 23309 H1 TIP3 7997 48.117 38.260 37.207 1.00 0.00 WT1 H ATOM 23310 H2 TIP3 7997 48.864 38.893 38.361 1.00 0.00 WT1 H ATOM 23311 OH2 TIP3 7999 60.618 95.189 14.026 1.00 0.00 WT1 O ATOM 23312 H1 TIP3 7999 59.710 94.999 14.262 1.00 0.00 WT1 H ATOM 23313 H2 TIP3 7999 61.050 94.335 14.028 1.00 0.00 WT1 H ATOM 23314 OH2 TIP3 8000 27.110 74.082 59.972 1.00 0.00 WT1 O ATOM 23315 H1 TIP3 8000 26.281 74.494 59.730 1.00 0.00 WT1 H ATOM 23316 H2 TIP3 8000 27.514 74.696 60.585 1.00 0.00 WT1 H ATOM 23317 OH2 TIP3 8001 31.468 69.609 32.924 1.00 0.00 WT1 O ATOM 23318 H1 TIP3 8001 31.806 68.721 32.805 1.00 0.00 WT1 H ATOM 23319 H2 TIP3 8001 32.250 70.161 32.959 1.00 0.00 WT1 H ATOM 23320 OH2 TIP3 8002 23.889 18.023 -17.935 1.00 0.00 WT1 O ATOM 23321 H1 TIP3 8002 23.788 17.293 -18.546 1.00 0.00 WT1 H ATOM 23322 H2 TIP3 8002 23.038 18.460 -17.940 1.00 0.00 WT1 H ATOM 23323 OH2 TIP3 8003 20.736 36.475 4.542 1.00 0.00 WT1 O ATOM 23324 H1 TIP3 8003 20.719 35.545 4.768 1.00 0.00 WT1 H ATOM 23325 H2 TIP3 8003 21.636 36.637 4.259 1.00 0.00 WT1 H ATOM 23326 OH2 TIP3 8004 55.632 10.369 0.761 1.00 0.00 WT1 O ATOM 23327 H1 TIP3 8004 56.246 9.635 0.748 1.00 0.00 WT1 H ATOM 23328 H2 TIP3 8004 55.291 10.381 1.656 1.00 0.00 WT1 H ATOM 23329 OH2 TIP3 8005 52.462 10.867 59.084 1.00 0.00 WT1 O ATOM 23330 H1 TIP3 8005 53.412 10.777 59.155 1.00 0.00 WT1 H ATOM 23331 H2 TIP3 8005 52.235 11.530 59.737 1.00 0.00 WT1 H ATOM 23332 OH2 TIP3 8006 47.051 16.666 16.785 1.00 0.00 WT1 O ATOM 23333 H1 TIP3 8006 46.221 16.738 16.314 1.00 0.00 WT1 H ATOM 23334 H2 TIP3 8006 47.505 17.488 16.599 1.00 0.00 WT1 H ATOM 23335 OH2 TIP3 8007 24.111 75.322 15.561 1.00 0.00 WT1 O ATOM 23336 H1 TIP3 8007 24.475 74.912 16.346 1.00 0.00 WT1 H ATOM 23337 H2 TIP3 8007 23.900 74.590 14.983 1.00 0.00 WT1 H ATOM 23338 OH2 TIP3 8008 28.518 56.017 43.496 1.00 0.00 WT1 O ATOM 23339 H1 TIP3 8008 29.088 55.366 43.904 1.00 0.00 WT1 H ATOM 23340 H2 TIP3 8008 27.706 55.975 44.001 1.00 0.00 WT1 H ATOM 23341 OH2 TIP3 8010 45.600 72.657 31.240 1.00 0.00 WT1 O ATOM 23342 H1 TIP3 8010 46.127 72.232 30.564 1.00 0.00 WT1 H ATOM 23343 H2 TIP3 8010 46.078 72.496 32.053 1.00 0.00 WT1 H ATOM 23344 OH2 TIP3 8011 84.257 45.744 15.273 1.00 0.00 WT1 O ATOM 23345 H1 TIP3 8011 84.084 45.514 14.360 1.00 0.00 WT1 H ATOM 23346 H2 TIP3 8011 83.746 45.114 15.781 1.00 0.00 WT1 H ATOM 23347 OH2 TIP3 8012 28.446 6.692 -0.827 1.00 0.00 WT1 O ATOM 23348 H1 TIP3 8012 28.549 5.746 -0.720 1.00 0.00 WT1 H ATOM 23349 H2 TIP3 8012 29.024 6.915 -1.557 1.00 0.00 WT1 H ATOM 23350 OH2 TIP3 8013 30.561 89.957 26.246 1.00 0.00 WT1 O ATOM 23351 H1 TIP3 8013 30.955 90.727 26.656 1.00 0.00 WT1 H ATOM 23352 H2 TIP3 8013 30.777 89.234 26.836 1.00 0.00 WT1 H ATOM 23353 OH2 TIP3 8014 64.136 41.901 6.941 1.00 0.00 WT1 O ATOM 23354 H1 TIP3 8014 64.563 42.429 7.615 1.00 0.00 WT1 H ATOM 23355 H2 TIP3 8014 63.232 41.812 7.242 1.00 0.00 WT1 H ATOM 23356 OH2 TIP3 8015 44.923 21.488 -2.027 1.00 0.00 WT1 O ATOM 23357 H1 TIP3 8015 45.320 20.635 -2.204 1.00 0.00 WT1 H ATOM 23358 H2 TIP3 8015 44.685 21.454 -1.100 1.00 0.00 WT1 H ATOM 23359 OH2 TIP3 8016 88.128 32.374 34.601 1.00 0.00 WT1 O ATOM 23360 H1 TIP3 8016 88.622 31.960 35.308 1.00 0.00 WT1 H ATOM 23361 H2 TIP3 8016 88.432 33.282 34.595 1.00 0.00 WT1 H ATOM 23362 OH2 TIP3 8017 37.954 59.414 -5.063 1.00 0.00 WT1 O ATOM 23363 H1 TIP3 8017 37.374 60.004 -4.582 1.00 0.00 WT1 H ATOM 23364 H2 TIP3 8017 37.364 58.795 -5.494 1.00 0.00 WT1 H ATOM 23365 OH2 TIP3 8018 63.179 28.811 -2.998 1.00 0.00 WT1 O ATOM 23366 H1 TIP3 8018 62.504 28.182 -3.252 1.00 0.00 WT1 H ATOM 23367 H2 TIP3 8018 62.983 29.016 -2.083 1.00 0.00 WT1 H ATOM 23368 OH2 TIP3 8019 45.152 71.446 -4.920 1.00 0.00 WT1 O ATOM 23369 H1 TIP3 8019 44.567 70.762 -4.595 1.00 0.00 WT1 H ATOM 23370 H2 TIP3 8019 46.031 71.132 -4.705 1.00 0.00 WT1 H ATOM 23371 OH2 TIP3 8020 59.272 69.123 62.928 1.00 0.00 WT1 O ATOM 23372 H1 TIP3 8020 60.057 68.611 62.735 1.00 0.00 WT1 H ATOM 23373 H2 TIP3 8020 59.441 69.505 63.789 1.00 0.00 WT1 H ATOM 23374 OH2 TIP3 8021 60.794 61.436 63.295 1.00 0.00 WT1 O ATOM 23375 H1 TIP3 8021 60.124 62.059 63.014 1.00 0.00 WT1 H ATOM 23376 H2 TIP3 8021 60.566 61.230 64.201 1.00 0.00 WT1 H ATOM 23377 OH2 TIP3 8022 82.973 31.707 -12.410 1.00 0.00 WT1 O ATOM 23378 H1 TIP3 8022 82.934 30.856 -11.972 1.00 0.00 WT1 H ATOM 23379 H2 TIP3 8022 82.128 32.114 -12.219 1.00 0.00 WT1 H ATOM 23380 OH2 TIP3 8023 74.570 41.431 -7.818 1.00 0.00 WT1 O ATOM 23381 H1 TIP3 8023 73.774 41.047 -7.450 1.00 0.00 WT1 H ATOM 23382 H2 TIP3 8023 75.201 40.711 -7.832 1.00 0.00 WT1 H ATOM 23383 OH2 TIP3 8024 77.310 49.149 50.600 1.00 0.00 WT1 O ATOM 23384 H1 TIP3 8024 76.583 49.771 50.564 1.00 0.00 WT1 H ATOM 23385 H2 TIP3 8024 78.035 49.602 50.168 1.00 0.00 WT1 H ATOM 23386 OH2 TIP3 8025 54.022 18.482 24.830 1.00 0.00 WT1 O ATOM 23387 H1 TIP3 8025 54.344 19.383 24.800 1.00 0.00 WT1 H ATOM 23388 H2 TIP3 8025 53.104 18.547 24.569 1.00 0.00 WT1 H ATOM 23389 OH2 TIP3 8026 32.509 21.425 27.014 1.00 0.00 WT1 O ATOM 23390 H1 TIP3 8026 32.305 22.175 26.455 1.00 0.00 WT1 H ATOM 23391 H2 TIP3 8026 33.245 21.720 27.552 1.00 0.00 WT1 H ATOM 23392 OH2 TIP3 8027 88.232 5.893 -1.336 1.00 0.00 WT1 O ATOM 23393 H1 TIP3 8027 87.828 6.760 -1.307 1.00 0.00 WT1 H ATOM 23394 H2 TIP3 8027 88.724 5.829 -0.518 1.00 0.00 WT1 H ATOM 23395 OH2 TIP3 8028 73.697 87.573 57.760 1.00 0.00 WT1 O ATOM 23396 H1 TIP3 8028 73.527 86.892 58.411 1.00 0.00 WT1 H ATOM 23397 H2 TIP3 8028 73.128 87.350 57.024 1.00 0.00 WT1 H ATOM 23398 OH2 TIP3 8029 49.492 71.753 -5.245 1.00 0.00 WT1 O ATOM 23399 H1 TIP3 8029 50.099 71.728 -4.505 1.00 0.00 WT1 H ATOM 23400 H2 TIP3 8029 49.982 71.366 -5.970 1.00 0.00 WT1 H ATOM 23401 OH2 TIP3 8030 59.027 70.406 59.945 1.00 0.00 WT1 O ATOM 23402 H1 TIP3 8030 59.234 70.009 59.100 1.00 0.00 WT1 H ATOM 23403 H2 TIP3 8030 59.009 69.671 60.558 1.00 0.00 WT1 H ATOM 23404 OH2 TIP3 8032 49.382 19.855 21.657 1.00 0.00 WT1 O ATOM 23405 H1 TIP3 8032 49.360 20.777 21.403 1.00 0.00 WT1 H ATOM 23406 H2 TIP3 8032 48.936 19.828 22.504 1.00 0.00 WT1 H ATOM 23407 OH2 TIP3 8033 68.638 50.268 36.567 1.00 0.00 WT1 O ATOM 23408 H1 TIP3 8033 68.451 50.261 35.628 1.00 0.00 WT1 H ATOM 23409 H2 TIP3 8033 67.798 50.070 36.981 1.00 0.00 WT1 H ATOM 23410 OH2 TIP3 8034 38.475 46.062 28.544 1.00 0.00 WT1 O ATOM 23411 H1 TIP3 8034 38.811 45.719 27.715 1.00 0.00 WT1 H ATOM 23412 H2 TIP3 8034 39.094 46.750 28.787 1.00 0.00 WT1 H ATOM 23413 OH2 TIP3 8035 32.914 3.336 48.224 1.00 0.00 WT1 O ATOM 23414 H1 TIP3 8035 33.796 3.020 48.421 1.00 0.00 WT1 H ATOM 23415 H2 TIP3 8035 33.033 3.931 47.483 1.00 0.00 WT1 H ATOM 23416 OH2 TIP3 8036 80.741 23.559 65.044 1.00 0.00 WT1 O ATOM 23417 H1 TIP3 8036 81.291 23.859 64.320 1.00 0.00 WT1 H ATOM 23418 H2 TIP3 8036 80.758 24.281 65.673 1.00 0.00 WT1 H ATOM 23419 OH2 TIP3 8037 61.460 29.872 14.951 1.00 0.00 WT1 O ATOM 23420 H1 TIP3 8037 61.023 30.338 14.239 1.00 0.00 WT1 H ATOM 23421 H2 TIP3 8037 60.946 29.073 15.067 1.00 0.00 WT1 H ATOM 23422 OH2 TIP3 8038 53.412 76.458 37.827 1.00 0.00 WT1 O ATOM 23423 H1 TIP3 8038 52.970 76.723 37.020 1.00 0.00 WT1 H ATOM 23424 H2 TIP3 8038 54.025 77.170 38.010 1.00 0.00 WT1 H ATOM 23425 OH2 TIP3 8039 33.940 89.046 12.459 1.00 0.00 WT1 O ATOM 23426 H1 TIP3 8039 33.901 88.314 13.075 1.00 0.00 WT1 H ATOM 23427 H2 TIP3 8039 33.952 88.633 11.596 1.00 0.00 WT1 H ATOM 23428 OH2 TIP3 8040 37.728 70.263 16.495 1.00 0.00 WT1 O ATOM 23429 H1 TIP3 8040 38.050 69.711 17.207 1.00 0.00 WT1 H ATOM 23430 H2 TIP3 8040 38.089 69.867 15.702 1.00 0.00 WT1 H ATOM 23431 OH2 TIP3 8041 46.284 44.155 35.684 1.00 0.00 WT1 O ATOM 23432 H1 TIP3 8041 47.239 44.225 35.717 1.00 0.00 WT1 H ATOM 23433 H2 TIP3 8041 46.078 44.117 34.750 1.00 0.00 WT1 H ATOM 23434 OH2 TIP3 8042 30.055 37.937 -3.160 1.00 0.00 WT1 O ATOM 23435 H1 TIP3 8042 29.133 38.019 -3.404 1.00 0.00 WT1 H ATOM 23436 H2 TIP3 8042 30.209 38.664 -2.556 1.00 0.00 WT1 H ATOM 23437 OH2 TIP3 8043 59.382 26.554 29.733 1.00 0.00 WT1 O ATOM 23438 H1 TIP3 8043 58.995 25.682 29.818 1.00 0.00 WT1 H ATOM 23439 H2 TIP3 8043 59.619 26.622 28.808 1.00 0.00 WT1 H ATOM 23440 OH2 TIP3 8044 89.414 36.764 -16.805 1.00 0.00 WT1 O ATOM 23441 H1 TIP3 8044 89.766 37.653 -16.855 1.00 0.00 WT1 H ATOM 23442 H2 TIP3 8044 88.614 36.793 -17.330 1.00 0.00 WT1 H ATOM 23443 OH2 TIP3 8045 21.015 28.965 -15.159 1.00 0.00 WT1 O ATOM 23444 H1 TIP3 8045 21.613 29.712 -15.184 1.00 0.00 WT1 H ATOM 23445 H2 TIP3 8045 21.266 28.481 -14.373 1.00 0.00 WT1 H ATOM 23446 OH2 TIP3 8046 59.994 4.640 28.958 1.00 0.00 WT1 O ATOM 23447 H1 TIP3 8046 59.479 5.424 29.148 1.00 0.00 WT1 H ATOM 23448 H2 TIP3 8046 60.457 4.454 29.775 1.00 0.00 WT1 H ATOM 23449 OH2 TIP3 8047 57.419 88.992 66.472 1.00 0.00 WT1 O ATOM 23450 H1 TIP3 8047 57.902 88.473 67.115 1.00 0.00 WT1 H ATOM 23451 H2 TIP3 8047 58.095 89.470 65.993 1.00 0.00 WT1 H ATOM 23452 OH2 TIP3 8049 64.832 80.382 40.970 1.00 0.00 WT1 O ATOM 23453 H1 TIP3 8049 64.150 79.807 41.316 1.00 0.00 WT1 H ATOM 23454 H2 TIP3 8049 64.498 81.267 41.119 1.00 0.00 WT1 H ATOM 23455 OH2 TIP3 8050 66.546 26.116 -7.537 1.00 0.00 WT1 O ATOM 23456 H1 TIP3 8050 67.301 25.569 -7.753 1.00 0.00 WT1 H ATOM 23457 H2 TIP3 8050 65.869 25.496 -7.267 1.00 0.00 WT1 H ATOM 23458 OH2 TIP3 8051 79.322 66.429 29.236 1.00 0.00 WT1 O ATOM 23459 H1 TIP3 8051 78.769 65.671 29.423 1.00 0.00 WT1 H ATOM 23460 H2 TIP3 8051 78.951 66.807 28.439 1.00 0.00 WT1 H ATOM 23461 OH2 TIP3 8052 31.122 71.079 -11.635 1.00 0.00 WT1 O ATOM 23462 H1 TIP3 8052 31.675 71.505 -12.290 1.00 0.00 WT1 H ATOM 23463 H2 TIP3 8052 31.716 70.885 -10.910 1.00 0.00 WT1 H ATOM 23464 OH2 TIP3 8053 79.319 48.524 24.653 1.00 0.00 WT1 O ATOM 23465 H1 TIP3 8053 79.615 47.639 24.866 1.00 0.00 WT1 H ATOM 23466 H2 TIP3 8053 78.366 48.452 24.598 1.00 0.00 WT1 H ATOM 23467 OH2 TIP3 8054 79.626 83.138 34.705 1.00 0.00 WT1 O ATOM 23468 H1 TIP3 8054 79.455 84.013 34.357 1.00 0.00 WT1 H ATOM 23469 H2 TIP3 8054 78.895 82.607 34.390 1.00 0.00 WT1 H ATOM 23470 OH2 TIP3 8055 40.447 84.628 26.836 1.00 0.00 WT1 O ATOM 23471 H1 TIP3 8055 40.314 84.394 27.755 1.00 0.00 WT1 H ATOM 23472 H2 TIP3 8055 40.853 83.854 26.447 1.00 0.00 WT1 H ATOM 23473 OH2 TIP3 8056 35.871 45.117 28.982 1.00 0.00 WT1 O ATOM 23474 H1 TIP3 8056 35.759 44.672 28.142 1.00 0.00 WT1 H ATOM 23475 H2 TIP3 8056 36.747 45.499 28.936 1.00 0.00 WT1 H ATOM 23476 OH2 TIP3 8057 79.620 47.147 66.846 1.00 0.00 WT1 O ATOM 23477 H1 TIP3 8057 79.426 47.477 67.724 1.00 0.00 WT1 H ATOM 23478 H2 TIP3 8057 78.921 47.500 66.297 1.00 0.00 WT1 H ATOM 23479 OH2 TIP3 8058 23.933 64.433 13.519 1.00 0.00 WT1 O ATOM 23480 H1 TIP3 8058 24.092 64.349 14.460 1.00 0.00 WT1 H ATOM 23481 H2 TIP3 8058 24.782 64.681 13.154 1.00 0.00 WT1 H ATOM 23482 OH2 TIP3 8059 55.565 6.616 62.083 1.00 0.00 WT1 O ATOM 23483 H1 TIP3 8059 56.494 6.728 62.285 1.00 0.00 WT1 H ATOM 23484 H2 TIP3 8059 55.319 7.422 61.629 1.00 0.00 WT1 H ATOM 23485 OH2 TIP3 8060 63.073 34.586 52.483 1.00 0.00 WT1 O ATOM 23486 H1 TIP3 8060 62.818 33.872 53.068 1.00 0.00 WT1 H ATOM 23487 H2 TIP3 8060 62.340 34.670 51.873 1.00 0.00 WT1 H ATOM 23488 OH2 TIP3 8061 30.443 49.039 -13.897 1.00 0.00 WT1 O ATOM 23489 H1 TIP3 8061 29.918 48.662 -14.603 1.00 0.00 WT1 H ATOM 23490 H2 TIP3 8061 29.879 48.989 -13.125 1.00 0.00 WT1 H ATOM 23491 OH2 TIP3 8062 50.403 87.799 23.549 1.00 0.00 WT1 O ATOM 23492 H1 TIP3 8062 50.010 88.297 24.266 1.00 0.00 WT1 H ATOM 23493 H2 TIP3 8062 49.876 88.024 22.783 1.00 0.00 WT1 H ATOM 23494 OH2 TIP3 8063 66.265 77.509 41.165 1.00 0.00 WT1 O ATOM 23495 H1 TIP3 8063 66.604 78.277 41.625 1.00 0.00 WT1 H ATOM 23496 H2 TIP3 8063 66.057 77.826 40.287 1.00 0.00 WT1 H ATOM 23497 OH2 TIP3 8064 60.054 72.336 -13.386 1.00 0.00 WT1 O ATOM 23498 H1 TIP3 8064 60.698 73.044 -13.376 1.00 0.00 WT1 H ATOM 23499 H2 TIP3 8064 59.662 72.356 -12.513 1.00 0.00 WT1 H ATOM 23500 OH2 TIP3 8065 51.143 31.716 -3.838 1.00 0.00 WT1 O ATOM 23501 H1 TIP3 8065 51.432 32.556 -3.481 1.00 0.00 WT1 H ATOM 23502 H2 TIP3 8065 50.230 31.861 -4.084 1.00 0.00 WT1 H ATOM 23503 OH2 TIP3 8066 31.740 35.907 30.825 1.00 0.00 WT1 O ATOM 23504 H1 TIP3 8066 30.885 36.265 30.587 1.00 0.00 WT1 H ATOM 23505 H2 TIP3 8066 32.103 35.584 30.001 1.00 0.00 WT1 H ATOM 23506 OH2 TIP3 8067 74.575 41.080 8.675 1.00 0.00 WT1 O ATOM 23507 H1 TIP3 8067 74.170 41.902 8.951 1.00 0.00 WT1 H ATOM 23508 H2 TIP3 8067 74.059 40.400 9.108 1.00 0.00 WT1 H ATOM 23509 OH2 TIP3 8068 30.941 59.346 22.109 1.00 0.00 WT1 O ATOM 23510 H1 TIP3 8068 31.135 58.727 21.405 1.00 0.00 WT1 H ATOM 23511 H2 TIP3 8068 31.715 59.319 22.672 1.00 0.00 WT1 H ATOM 23512 OH2 TIP3 8069 72.532 21.282 10.426 1.00 0.00 WT1 O ATOM 23513 H1 TIP3 8069 72.550 22.239 10.431 1.00 0.00 WT1 H ATOM 23514 H2 TIP3 8069 71.789 21.059 9.865 1.00 0.00 WT1 H ATOM 23515 OH2 TIP3 8070 56.935 23.394 -14.196 1.00 0.00 WT1 O ATOM 23516 H1 TIP3 8070 56.517 24.129 -14.644 1.00 0.00 WT1 H ATOM 23517 H2 TIP3 8070 57.688 23.174 -14.745 1.00 0.00 WT1 H ATOM 23518 OH2 TIP3 8071 26.993 37.775 -18.981 1.00 0.00 WT1 O ATOM 23519 H1 TIP3 8071 27.842 37.590 -19.381 1.00 0.00 WT1 H ATOM 23520 H2 TIP3 8071 26.622 36.912 -18.796 1.00 0.00 WT1 H ATOM 23521 OH2 TIP3 8072 80.534 35.906 45.956 1.00 0.00 WT1 O ATOM 23522 H1 TIP3 8072 81.150 35.644 46.640 1.00 0.00 WT1 H ATOM 23523 H2 TIP3 8072 81.049 35.888 45.150 1.00 0.00 WT1 H ATOM 23524 OH2 TIP3 8073 63.703 35.584 32.781 1.00 0.00 WT1 O ATOM 23525 H1 TIP3 8073 63.281 35.516 31.925 1.00 0.00 WT1 H ATOM 23526 H2 TIP3 8073 63.986 36.497 32.836 1.00 0.00 WT1 H ATOM 23527 OH2 TIP3 8074 58.596 53.291 57.476 1.00 0.00 WT1 O ATOM 23528 H1 TIP3 8074 58.752 52.667 56.767 1.00 0.00 WT1 H ATOM 23529 H2 TIP3 8074 58.235 54.063 57.041 1.00 0.00 WT1 H ATOM 23530 OH2 TIP3 8075 34.309 61.021 -14.580 1.00 0.00 WT1 O ATOM 23531 H1 TIP3 8075 35.107 61.528 -14.727 1.00 0.00 WT1 H ATOM 23532 H2 TIP3 8075 34.514 60.462 -13.830 1.00 0.00 WT1 H ATOM 23533 OH2 TIP3 8076 44.912 45.146 29.225 1.00 0.00 WT1 O ATOM 23534 H1 TIP3 8076 45.339 45.046 28.374 1.00 0.00 WT1 H ATOM 23535 H2 TIP3 8076 43.977 45.069 29.034 1.00 0.00 WT1 H ATOM 23536 OH2 TIP3 8077 78.817 19.242 66.589 1.00 0.00 WT1 O ATOM 23537 H1 TIP3 8077 79.300 18.828 67.304 1.00 0.00 WT1 H ATOM 23538 H2 TIP3 8077 78.705 18.547 65.941 1.00 0.00 WT1 H ATOM 23539 OH2 TIP3 8078 83.330 58.721 34.368 1.00 0.00 WT1 O ATOM 23540 H1 TIP3 8078 82.628 59.336 34.580 1.00 0.00 WT1 H ATOM 23541 H2 TIP3 8078 83.828 59.155 33.675 1.00 0.00 WT1 H ATOM 23542 OH2 TIP3 8079 68.351 81.506 6.713 1.00 0.00 WT1 O ATOM 23543 H1 TIP3 8079 68.195 80.767 6.126 1.00 0.00 WT1 H ATOM 23544 H2 TIP3 8079 67.483 81.740 7.041 1.00 0.00 WT1 H ATOM 23545 OH2 TIP3 8080 69.877 43.730 24.922 1.00 0.00 WT1 O ATOM 23546 H1 TIP3 8080 69.823 44.408 24.248 1.00 0.00 WT1 H ATOM 23547 H2 TIP3 8080 68.968 43.474 25.078 1.00 0.00 WT1 H ATOM 23548 OH2 TIP3 8081 75.439 45.509 25.546 1.00 0.00 WT1 O ATOM 23549 H1 TIP3 8081 75.086 45.381 24.665 1.00 0.00 WT1 H ATOM 23550 H2 TIP3 8081 75.677 46.436 25.576 1.00 0.00 WT1 H ATOM 23551 OH2 TIP3 8082 39.251 12.713 63.578 1.00 0.00 WT1 O ATOM 23552 H1 TIP3 8082 38.305 12.568 63.575 1.00 0.00 WT1 H ATOM 23553 H2 TIP3 8082 39.351 13.644 63.774 1.00 0.00 WT1 H ATOM 23554 OH2 TIP3 8083 74.590 81.221 34.172 1.00 0.00 WT1 O ATOM 23555 H1 TIP3 8083 74.376 81.830 34.879 1.00 0.00 WT1 H ATOM 23556 H2 TIP3 8083 73.947 80.517 34.257 1.00 0.00 WT1 H ATOM 23557 OH2 TIP3 8084 58.540 28.205 31.997 1.00 0.00 WT1 O ATOM 23558 H1 TIP3 8084 58.761 27.736 31.193 1.00 0.00 WT1 H ATOM 23559 H2 TIP3 8084 58.533 29.128 31.742 1.00 0.00 WT1 H ATOM 23560 OH2 TIP3 8085 63.585 21.957 13.407 1.00 0.00 WT1 O ATOM 23561 H1 TIP3 8085 62.862 21.558 13.892 1.00 0.00 WT1 H ATOM 23562 H2 TIP3 8085 63.271 22.834 13.187 1.00 0.00 WT1 H ATOM 23563 OH2 TIP3 8086 67.404 0.186 66.420 1.00 0.00 WT1 O ATOM 23564 H1 TIP3 8086 66.686 0.074 65.798 1.00 0.00 WT1 H ATOM 23565 H2 TIP3 8086 66.973 0.392 67.250 1.00 0.00 WT1 H ATOM 23566 OH2 TIP3 8087 69.942 44.832 41.862 1.00 0.00 WT1 O ATOM 23567 H1 TIP3 8087 69.971 44.308 42.663 1.00 0.00 WT1 H ATOM 23568 H2 TIP3 8087 70.472 45.603 42.061 1.00 0.00 WT1 H ATOM 23569 OH2 TIP3 8088 31.687 89.107 -4.668 1.00 0.00 WT1 O ATOM 23570 H1 TIP3 8088 31.716 88.154 -4.742 1.00 0.00 WT1 H ATOM 23571 H2 TIP3 8088 32.067 89.293 -3.810 1.00 0.00 WT1 H ATOM 23572 OH2 TIP3 8089 26.944 19.635 38.677 1.00 0.00 WT1 O ATOM 23573 H1 TIP3 8089 27.706 19.280 38.219 1.00 0.00 WT1 H ATOM 23574 H2 TIP3 8089 26.852 19.082 39.453 1.00 0.00 WT1 H ATOM 23575 OH2 TIP3 8090 84.078 37.596 -17.117 1.00 0.00 WT1 O ATOM 23576 H1 TIP3 8090 83.555 37.177 -17.801 1.00 0.00 WT1 H ATOM 23577 H2 TIP3 8090 83.517 38.294 -16.779 1.00 0.00 WT1 H ATOM 23578 OH2 TIP3 8091 45.908 45.454 12.843 1.00 0.00 WT1 O ATOM 23579 H1 TIP3 8091 45.058 45.844 12.639 1.00 0.00 WT1 H ATOM 23580 H2 TIP3 8091 46.248 45.984 13.564 1.00 0.00 WT1 H ATOM 23581 OH2 TIP3 8092 29.302 73.003 8.816 1.00 0.00 WT1 O ATOM 23582 H1 TIP3 8092 30.152 73.414 8.662 1.00 0.00 WT1 H ATOM 23583 H2 TIP3 8092 29.149 73.112 9.754 1.00 0.00 WT1 H ATOM 23584 OH2 TIP3 8093 59.759 7.547 25.820 1.00 0.00 WT1 O ATOM 23585 H1 TIP3 8093 60.464 6.951 26.074 1.00 0.00 WT1 H ATOM 23586 H2 TIP3 8093 60.184 8.197 25.262 1.00 0.00 WT1 H ATOM 23587 OH2 TIP3 8094 90.766 69.976 24.854 1.00 0.00 WT1 O ATOM 23588 H1 TIP3 8094 90.379 69.253 25.348 1.00 0.00 WT1 H ATOM 23589 H2 TIP3 8094 90.558 69.780 23.940 1.00 0.00 WT1 H ATOM 23590 OH2 TIP3 8095 32.318 74.701 21.611 1.00 0.00 WT1 O ATOM 23591 H1 TIP3 8095 33.248 74.497 21.511 1.00 0.00 WT1 H ATOM 23592 H2 TIP3 8095 32.063 75.080 20.770 1.00 0.00 WT1 H ATOM 23593 OH2 TIP3 8096 84.006 62.891 44.672 1.00 0.00 WT1 O ATOM 23594 H1 TIP3 8096 83.485 62.578 43.933 1.00 0.00 WT1 H ATOM 23595 H2 TIP3 8096 84.900 62.617 44.468 1.00 0.00 WT1 H ATOM 23596 OH2 TIP3 8097 46.209 96.363 58.061 1.00 0.00 WT1 O ATOM 23597 H1 TIP3 8097 45.607 95.619 58.073 1.00 0.00 WT1 H ATOM 23598 H2 TIP3 8097 46.864 96.152 58.727 1.00 0.00 WT1 H ATOM 23599 OH2 TIP3 8098 77.005 42.002 55.553 1.00 0.00 WT1 O ATOM 23600 H1 TIP3 8098 77.004 41.566 54.701 1.00 0.00 WT1 H ATOM 23601 H2 TIP3 8098 76.583 42.846 55.392 1.00 0.00 WT1 H ATOM 23602 OH2 TIP3 8099 25.679 88.857 33.386 1.00 0.00 WT1 O ATOM 23603 H1 TIP3 8099 25.859 87.919 33.330 1.00 0.00 WT1 H ATOM 23604 H2 TIP3 8099 25.011 88.933 34.068 1.00 0.00 WT1 H ATOM 23605 OH2 TIP3 8100 84.252 43.143 41.871 1.00 0.00 WT1 O ATOM 23606 H1 TIP3 8100 83.405 43.478 41.576 1.00 0.00 WT1 H ATOM 23607 H2 TIP3 8100 84.106 42.891 42.783 1.00 0.00 WT1 H ATOM 23608 OH2 TIP3 8101 49.304 38.270 -15.857 1.00 0.00 WT1 O ATOM 23609 H1 TIP3 8101 49.096 38.034 -14.953 1.00 0.00 WT1 H ATOM 23610 H2 TIP3 8101 49.418 37.431 -16.304 1.00 0.00 WT1 H ATOM 23611 OH2 TIP3 8102 69.418 15.900 -6.805 1.00 0.00 WT1 O ATOM 23612 H1 TIP3 8102 69.583 16.007 -5.868 1.00 0.00 WT1 H ATOM 23613 H2 TIP3 8102 69.411 16.792 -7.151 1.00 0.00 WT1 H ATOM 23614 OH2 TIP3 8103 64.312 67.806 -4.272 1.00 0.00 WT1 O ATOM 23615 H1 TIP3 8103 63.375 67.615 -4.246 1.00 0.00 WT1 H ATOM 23616 H2 TIP3 8103 64.732 66.983 -4.020 1.00 0.00 WT1 H ATOM 23617 OH2 TIP3 8104 73.902 80.598 31.247 1.00 0.00 WT1 O ATOM 23618 H1 TIP3 8104 73.440 79.818 30.939 1.00 0.00 WT1 H ATOM 23619 H2 TIP3 8104 74.444 80.286 31.971 1.00 0.00 WT1 H ATOM 23620 OH2 TIP3 8105 68.748 43.764 20.497 1.00 0.00 WT1 O ATOM 23621 H1 TIP3 8105 69.053 44.500 21.027 1.00 0.00 WT1 H ATOM 23622 H2 TIP3 8105 67.802 43.741 20.639 1.00 0.00 WT1 H ATOM 23623 OH2 TIP3 8106 68.167 24.772 4.966 1.00 0.00 WT1 O ATOM 23624 H1 TIP3 8106 68.349 25.404 4.271 1.00 0.00 WT1 H ATOM 23625 H2 TIP3 8106 67.353 25.081 5.364 1.00 0.00 WT1 H ATOM 23626 OH2 TIP3 8107 33.952 26.061 58.459 1.00 0.00 WT1 O ATOM 23627 H1 TIP3 8107 33.440 26.750 58.036 1.00 0.00 WT1 H ATOM 23628 H2 TIP3 8107 34.799 26.082 58.013 1.00 0.00 WT1 H ATOM 23629 OH2 TIP3 8108 35.962 38.203 51.126 1.00 0.00 WT1 O ATOM 23630 H1 TIP3 8108 36.391 37.897 50.327 1.00 0.00 WT1 H ATOM 23631 H2 TIP3 8108 36.040 37.471 51.737 1.00 0.00 WT1 H ATOM 23632 OH2 TIP3 8109 33.558 7.462 50.290 1.00 0.00 WT1 O ATOM 23633 H1 TIP3 8109 34.284 7.166 49.741 1.00 0.00 WT1 H ATOM 23634 H2 TIP3 8109 32.879 7.724 49.669 1.00 0.00 WT1 H ATOM 23635 OH2 TIP3 8110 21.820 31.276 38.735 1.00 0.00 WT1 O ATOM 23636 H1 TIP3 8110 20.966 31.593 39.030 1.00 0.00 WT1 H ATOM 23637 H2 TIP3 8110 22.382 32.051 38.750 1.00 0.00 WT1 H ATOM 23638 OH2 TIP3 8111 82.767 30.380 42.428 1.00 0.00 WT1 O ATOM 23639 H1 TIP3 8111 82.246 29.579 42.481 1.00 0.00 WT1 H ATOM 23640 H2 TIP3 8111 82.138 31.059 42.184 1.00 0.00 WT1 H ATOM 23641 OH2 TIP3 8112 52.396 90.987 36.337 1.00 0.00 WT1 O ATOM 23642 H1 TIP3 8112 51.531 91.347 36.140 1.00 0.00 WT1 H ATOM 23643 H2 TIP3 8112 52.236 90.342 37.027 1.00 0.00 WT1 H ATOM 23644 OH2 TIP3 8113 30.162 24.103 42.937 1.00 0.00 WT1 O ATOM 23645 H1 TIP3 8113 31.042 24.478 42.919 1.00 0.00 WT1 H ATOM 23646 H2 TIP3 8113 29.585 24.851 43.096 1.00 0.00 WT1 H ATOM 23647 OH2 TIP3 8114 49.020 88.810 25.721 1.00 0.00 WT1 O ATOM 23648 H1 TIP3 8114 49.664 89.496 25.897 1.00 0.00 WT1 H ATOM 23649 H2 TIP3 8114 48.978 88.307 26.535 1.00 0.00 WT1 H ATOM 23650 OH2 TIP3 8116 52.320 13.892 -6.498 1.00 0.00 WT1 O ATOM 23651 H1 TIP3 8116 52.425 14.763 -6.115 1.00 0.00 WT1 H ATOM 23652 H2 TIP3 8116 53.128 13.431 -6.273 1.00 0.00 WT1 H ATOM 23653 OH2 TIP3 8117 30.507 60.718 59.122 1.00 0.00 WT1 O ATOM 23654 H1 TIP3 8117 30.408 59.834 58.769 1.00 0.00 WT1 H ATOM 23655 H2 TIP3 8117 30.012 60.706 59.941 1.00 0.00 WT1 H ATOM 23656 OH2 TIP3 8118 85.545 32.639 -0.009 1.00 0.00 WT1 O ATOM 23657 H1 TIP3 8118 85.379 33.507 0.358 1.00 0.00 WT1 H ATOM 23658 H2 TIP3 8118 86.073 32.195 0.655 1.00 0.00 WT1 H ATOM 23659 OH2 TIP3 8119 71.020 34.661 7.704 1.00 0.00 WT1 O ATOM 23660 H1 TIP3 8119 70.109 34.675 7.996 1.00 0.00 WT1 H ATOM 23661 H2 TIP3 8119 71.402 35.459 8.069 1.00 0.00 WT1 H ATOM 23662 OH2 TIP3 8120 41.295 73.282 17.386 1.00 0.00 WT1 O ATOM 23663 H1 TIP3 8120 41.487 72.373 17.615 1.00 0.00 WT1 H ATOM 23664 H2 TIP3 8120 41.841 73.457 16.619 1.00 0.00 WT1 H ATOM 23665 OH2 TIP3 8121 56.906 40.415 49.898 1.00 0.00 WT1 O ATOM 23666 H1 TIP3 8121 56.072 40.548 50.348 1.00 0.00 WT1 H ATOM 23667 H2 TIP3 8121 56.809 39.572 49.456 1.00 0.00 WT1 H ATOM 23668 OH2 TIP3 8122 64.449 43.847 -12.207 1.00 0.00 WT1 O ATOM 23669 H1 TIP3 8122 64.759 44.705 -12.495 1.00 0.00 WT1 H ATOM 23670 H2 TIP3 8122 63.495 43.923 -12.211 1.00 0.00 WT1 H ATOM 23671 OH2 TIP3 8123 78.149 25.630 64.604 1.00 0.00 WT1 O ATOM 23672 H1 TIP3 8123 77.349 26.013 64.244 1.00 0.00 WT1 H ATOM 23673 H2 TIP3 8123 78.828 26.281 64.426 1.00 0.00 WT1 H ATOM 23674 OH2 TIP3 8124 35.418 30.104 63.399 1.00 0.00 WT1 O ATOM 23675 H1 TIP3 8124 36.237 30.413 63.787 1.00 0.00 WT1 H ATOM 23676 H2 TIP3 8124 35.398 29.167 63.596 1.00 0.00 WT1 H ATOM 23677 OH2 TIP3 8125 24.697 0.245 17.001 1.00 0.00 WT1 O ATOM 23678 H1 TIP3 8125 25.340 0.855 16.639 1.00 0.00 WT1 H ATOM 23679 H2 TIP3 8125 25.155 -0.186 17.722 1.00 0.00 WT1 H ATOM 23680 OH2 TIP3 8126 87.825 14.353 63.491 1.00 0.00 WT1 O ATOM 23681 H1 TIP3 8126 86.882 14.495 63.577 1.00 0.00 WT1 H ATOM 23682 H2 TIP3 8126 88.122 14.165 64.381 1.00 0.00 WT1 H ATOM 23683 OH2 TIP3 8127 26.278 26.793 8.075 1.00 0.00 WT1 O ATOM 23684 H1 TIP3 8127 25.606 26.739 8.754 1.00 0.00 WT1 H ATOM 23685 H2 TIP3 8127 26.397 27.732 7.929 1.00 0.00 WT1 H ATOM 23686 OH2 TIP3 8128 21.318 41.358 8.240 1.00 0.00 WT1 O ATOM 23687 H1 TIP3 8128 20.871 41.527 9.070 1.00 0.00 WT1 H ATOM 23688 H2 TIP3 8128 22.212 41.668 8.382 1.00 0.00 WT1 H ATOM 23689 OH2 TIP3 8129 72.290 32.893 33.992 1.00 0.00 WT1 O ATOM 23690 H1 TIP3 8129 72.959 33.193 33.376 1.00 0.00 WT1 H ATOM 23691 H2 TIP3 8129 71.576 33.524 33.897 1.00 0.00 WT1 H ATOM 23692 OH2 TIP3 8130 22.263 74.213 43.194 1.00 0.00 WT1 O ATOM 23693 H1 TIP3 8130 21.574 74.083 42.543 1.00 0.00 WT1 H ATOM 23694 H2 TIP3 8130 22.610 73.335 43.354 1.00 0.00 WT1 H ATOM 23695 OH2 TIP3 8131 81.751 33.299 65.829 1.00 0.00 WT1 O ATOM 23696 H1 TIP3 8131 82.637 33.660 65.841 1.00 0.00 WT1 H ATOM 23697 H2 TIP3 8131 81.183 34.059 65.702 1.00 0.00 WT1 H ATOM 23698 OH2 TIP3 8132 66.751 40.677 30.564 1.00 0.00 WT1 O ATOM 23699 H1 TIP3 8132 66.052 41.071 30.043 1.00 0.00 WT1 H ATOM 23700 H2 TIP3 8132 66.329 39.949 31.020 1.00 0.00 WT1 H ATOM 23701 OH2 TIP3 8133 64.105 6.280 -12.707 1.00 0.00 WT1 O ATOM 23702 H1 TIP3 8133 64.381 7.139 -12.386 1.00 0.00 WT1 H ATOM 23703 H2 TIP3 8133 64.454 5.661 -12.065 1.00 0.00 WT1 H ATOM 23704 OH2 TIP3 8134 51.714 41.623 -3.974 1.00 0.00 WT1 O ATOM 23705 H1 TIP3 8134 51.223 41.463 -3.168 1.00 0.00 WT1 H ATOM 23706 H2 TIP3 8134 52.223 42.413 -3.792 1.00 0.00 WT1 H ATOM 23707 OH2 TIP3 8135 74.654 63.534 14.341 1.00 0.00 WT1 O ATOM 23708 H1 TIP3 8135 73.976 64.082 14.737 1.00 0.00 WT1 H ATOM 23709 H2 TIP3 8135 74.199 63.050 13.651 1.00 0.00 WT1 H ATOM 23710 OH2 TIP3 8136 76.499 92.072 -11.300 1.00 0.00 WT1 O ATOM 23711 H1 TIP3 8136 77.389 92.144 -11.646 1.00 0.00 WT1 H ATOM 23712 H2 TIP3 8136 76.618 91.924 -10.362 1.00 0.00 WT1 H ATOM 23713 OH2 TIP3 8137 87.143 54.326 51.473 1.00 0.00 WT1 O ATOM 23714 H1 TIP3 8137 87.725 54.974 51.870 1.00 0.00 WT1 H ATOM 23715 H2 TIP3 8137 87.513 53.481 51.728 1.00 0.00 WT1 H ATOM 23716 OH2 TIP3 8138 37.185 76.685 58.851 1.00 0.00 WT1 O ATOM 23717 H1 TIP3 8138 37.841 76.804 58.164 1.00 0.00 WT1 H ATOM 23718 H2 TIP3 8138 36.563 76.058 58.483 1.00 0.00 WT1 H ATOM 23719 OH2 TIP3 8139 64.961 8.386 36.032 1.00 0.00 WT1 O ATOM 23720 H1 TIP3 8139 65.020 8.172 36.963 1.00 0.00 WT1 H ATOM 23721 H2 TIP3 8139 65.827 8.177 35.682 1.00 0.00 WT1 H ATOM 23722 OH2 TIP3 8140 38.265 27.037 41.931 1.00 0.00 WT1 O ATOM 23723 H1 TIP3 8140 38.669 26.225 41.624 1.00 0.00 WT1 H ATOM 23724 H2 TIP3 8140 38.238 27.599 41.156 1.00 0.00 WT1 H ATOM 23725 OH2 TIP3 8141 38.037 80.821 39.661 1.00 0.00 WT1 O ATOM 23726 H1 TIP3 8141 38.921 80.942 39.314 1.00 0.00 WT1 H ATOM 23727 H2 TIP3 8141 37.595 80.278 39.008 1.00 0.00 WT1 H ATOM 23728 OH2 TIP3 8142 79.246 39.699 -8.689 1.00 0.00 WT1 O ATOM 23729 H1 TIP3 8142 79.671 39.181 -8.005 1.00 0.00 WT1 H ATOM 23730 H2 TIP3 8142 79.776 40.493 -8.752 1.00 0.00 WT1 H ATOM 23731 OH2 TIP3 8143 83.894 18.629 39.026 1.00 0.00 WT1 O ATOM 23732 H1 TIP3 8143 84.349 19.467 39.112 1.00 0.00 WT1 H ATOM 23733 H2 TIP3 8143 83.110 18.834 38.517 1.00 0.00 WT1 H ATOM 23734 OH2 TIP3 8144 22.157 13.011 7.780 1.00 0.00 WT1 O ATOM 23735 H1 TIP3 8144 21.418 12.508 8.122 1.00 0.00 WT1 H ATOM 23736 H2 TIP3 8144 22.922 12.463 7.955 1.00 0.00 WT1 H ATOM 23737 OH2 TIP3 8145 60.755 64.450 37.039 1.00 0.00 WT1 O ATOM 23738 H1 TIP3 8145 61.012 63.736 36.456 1.00 0.00 WT1 H ATOM 23739 H2 TIP3 8145 59.860 64.665 36.773 1.00 0.00 WT1 H ATOM 23740 OH2 TIP3 8146 38.841 16.044 10.348 1.00 0.00 WT1 O ATOM 23741 H1 TIP3 8146 38.104 15.450 10.491 1.00 0.00 WT1 H ATOM 23742 H2 TIP3 8146 39.348 15.633 9.648 1.00 0.00 WT1 H ATOM 23743 OH2 TIP3 8147 32.167 87.807 56.146 1.00 0.00 WT1 O ATOM 23744 H1 TIP3 8147 31.866 88.671 55.864 1.00 0.00 WT1 H ATOM 23745 H2 TIP3 8147 32.751 87.985 56.883 1.00 0.00 WT1 H ATOM 23746 OH2 TIP3 8148 71.648 47.829 -14.357 1.00 0.00 WT1 O ATOM 23747 H1 TIP3 8148 71.554 47.522 -13.455 1.00 0.00 WT1 H ATOM 23748 H2 TIP3 8148 71.401 47.075 -14.893 1.00 0.00 WT1 H ATOM 23749 OH2 TIP3 8149 47.396 31.326 60.247 1.00 0.00 WT1 O ATOM 23750 H1 TIP3 8149 47.010 30.627 60.775 1.00 0.00 WT1 H ATOM 23751 H2 TIP3 8149 46.771 32.048 60.309 1.00 0.00 WT1 H ATOM 23752 OH2 TIP3 8150 62.047 81.834 -3.636 1.00 0.00 WT1 O ATOM 23753 H1 TIP3 8150 62.672 81.798 -2.912 1.00 0.00 WT1 H ATOM 23754 H2 TIP3 8150 61.387 81.176 -3.416 1.00 0.00 WT1 H ATOM 23755 OH2 TIP3 8151 68.275 75.618 45.619 1.00 0.00 WT1 O ATOM 23756 H1 TIP3 8151 67.424 75.488 46.036 1.00 0.00 WT1 H ATOM 23757 H2 TIP3 8151 68.800 74.871 45.907 1.00 0.00 WT1 H ATOM 23758 OH2 TIP3 8152 65.791 46.064 41.362 1.00 0.00 WT1 O ATOM 23759 H1 TIP3 8152 65.609 45.766 40.470 1.00 0.00 WT1 H ATOM 23760 H2 TIP3 8152 65.079 46.673 41.560 1.00 0.00 WT1 H ATOM 23761 OH2 TIP3 8153 74.634 20.476 8.319 1.00 0.00 WT1 O ATOM 23762 H1 TIP3 8153 75.244 19.740 8.381 1.00 0.00 WT1 H ATOM 23763 H2 TIP3 8153 74.609 20.842 9.203 1.00 0.00 WT1 H ATOM 23764 OH2 TIP3 8154 82.076 27.951 39.595 1.00 0.00 WT1 O ATOM 23765 H1 TIP3 8154 82.038 27.167 39.048 1.00 0.00 WT1 H ATOM 23766 H2 TIP3 8154 82.687 28.531 39.140 1.00 0.00 WT1 H ATOM 23767 OH2 TIP3 8155 28.760 25.114 18.677 1.00 0.00 WT1 O ATOM 23768 H1 TIP3 8155 27.892 25.149 19.079 1.00 0.00 WT1 H ATOM 23769 H2 TIP3 8155 29.233 25.851 19.063 1.00 0.00 WT1 H ATOM 23770 OH2 TIP3 8156 58.801 32.730 14.375 1.00 0.00 WT1 O ATOM 23771 H1 TIP3 8156 59.288 32.113 13.829 1.00 0.00 WT1 H ATOM 23772 H2 TIP3 8156 58.409 32.188 15.060 1.00 0.00 WT1 H ATOM 23773 OH2 TIP3 8157 63.976 56.478 -5.823 1.00 0.00 WT1 O ATOM 23774 H1 TIP3 8157 63.072 56.168 -5.771 1.00 0.00 WT1 H ATOM 23775 H2 TIP3 8157 64.236 56.616 -4.912 1.00 0.00 WT1 H ATOM 23776 OH2 TIP3 8158 22.494 35.993 -14.930 1.00 0.00 WT1 O ATOM 23777 H1 TIP3 8158 23.417 35.961 -15.184 1.00 0.00 WT1 H ATOM 23778 H2 TIP3 8158 22.016 35.958 -15.759 1.00 0.00 WT1 H ATOM 23779 OH2 TIP3 8159 48.369 12.485 41.146 1.00 0.00 WT1 O ATOM 23780 H1 TIP3 8159 48.562 11.550 41.070 1.00 0.00 WT1 H ATOM 23781 H2 TIP3 8159 47.958 12.714 40.313 1.00 0.00 WT1 H ATOM 23782 OH2 TIP3 8160 59.950 43.340 64.657 1.00 0.00 WT1 O ATOM 23783 H1 TIP3 8160 59.929 43.790 63.813 1.00 0.00 WT1 H ATOM 23784 H2 TIP3 8160 59.348 43.838 65.210 1.00 0.00 WT1 H ATOM 23785 OH2 TIP3 8162 61.043 11.788 30.362 1.00 0.00 WT1 O ATOM 23786 H1 TIP3 8162 61.716 11.131 30.181 1.00 0.00 WT1 H ATOM 23787 H2 TIP3 8162 61.490 12.627 30.250 1.00 0.00 WT1 H ATOM 23788 OH2 TIP3 8163 69.835 24.057 22.367 1.00 0.00 WT1 O ATOM 23789 H1 TIP3 8163 69.053 23.668 21.974 1.00 0.00 WT1 H ATOM 23790 H2 TIP3 8163 69.949 24.886 21.903 1.00 0.00 WT1 H ATOM 23791 OH2 TIP3 8164 68.075 30.723 65.828 1.00 0.00 WT1 O ATOM 23792 H1 TIP3 8164 68.206 30.967 66.744 1.00 0.00 WT1 H ATOM 23793 H2 TIP3 8164 67.485 31.393 65.482 1.00 0.00 WT1 H ATOM 23794 OH2 TIP3 8165 65.553 16.082 -8.701 1.00 0.00 WT1 O ATOM 23795 H1 TIP3 8165 65.991 16.530 -9.424 1.00 0.00 WT1 H ATOM 23796 H2 TIP3 8165 65.193 16.788 -8.164 1.00 0.00 WT1 H ATOM 23797 OH2 TIP3 8166 35.571 46.097 -17.102 1.00 0.00 WT1 O ATOM 23798 H1 TIP3 8166 35.533 46.692 -16.353 1.00 0.00 WT1 H ATOM 23799 H2 TIP3 8166 36.436 45.691 -17.043 1.00 0.00 WT1 H ATOM 23800 OH2 TIP3 8167 29.843 27.885 18.591 1.00 0.00 WT1 O ATOM 23801 H1 TIP3 8167 30.467 28.426 18.107 1.00 0.00 WT1 H ATOM 23802 H2 TIP3 8167 29.024 27.967 18.102 1.00 0.00 WT1 H ATOM 23803 OH2 TIP3 8168 64.825 73.672 66.292 1.00 0.00 WT1 O ATOM 23804 H1 TIP3 8168 63.962 74.081 66.223 1.00 0.00 WT1 H ATOM 23805 H2 TIP3 8168 65.428 74.404 66.417 1.00 0.00 WT1 H ATOM 23806 OH2 TIP3 8169 34.883 6.597 -5.002 1.00 0.00 WT1 O ATOM 23807 H1 TIP3 8169 34.993 6.697 -5.948 1.00 0.00 WT1 H ATOM 23808 H2 TIP3 8169 34.178 7.204 -4.778 1.00 0.00 WT1 H ATOM 23809 OH2 TIP3 8170 73.542 50.238 2.770 1.00 0.00 WT1 O ATOM 23810 H1 TIP3 8170 74.036 49.625 3.314 1.00 0.00 WT1 H ATOM 23811 H2 TIP3 8170 73.304 50.949 3.365 1.00 0.00 WT1 H ATOM 23812 OH2 TIP3 8171 34.088 59.785 63.647 1.00 0.00 WT1 O ATOM 23813 H1 TIP3 8171 34.023 58.835 63.548 1.00 0.00 WT1 H ATOM 23814 H2 TIP3 8171 33.484 59.994 64.360 1.00 0.00 WT1 H ATOM 23815 OH2 TIP3 8172 79.738 24.501 -4.996 1.00 0.00 WT1 O ATOM 23816 H1 TIP3 8172 79.036 25.105 -4.753 1.00 0.00 WT1 H ATOM 23817 H2 TIP3 8172 79.950 24.731 -5.901 1.00 0.00 WT1 H ATOM 23818 OH2 TIP3 8173 76.302 59.933 65.300 1.00 0.00 WT1 O ATOM 23819 H1 TIP3 8173 75.914 59.548 66.086 1.00 0.00 WT1 H ATOM 23820 H2 TIP3 8173 75.568 60.033 64.694 1.00 0.00 WT1 H ATOM 23821 OH2 TIP3 8174 27.196 19.007 12.357 1.00 0.00 WT1 O ATOM 23822 H1 TIP3 8174 26.252 18.872 12.277 1.00 0.00 WT1 H ATOM 23823 H2 TIP3 8174 27.300 19.504 13.169 1.00 0.00 WT1 H ATOM 23824 OH2 TIP3 8175 45.898 24.822 -10.356 1.00 0.00 WT1 O ATOM 23825 H1 TIP3 8175 44.985 24.561 -10.482 1.00 0.00 WT1 H ATOM 23826 H2 TIP3 8175 46.344 24.015 -10.098 1.00 0.00 WT1 H ATOM 23827 OH2 TIP3 8176 85.765 58.268 52.256 1.00 0.00 WT1 O ATOM 23828 H1 TIP3 8176 84.933 58.041 51.841 1.00 0.00 WT1 H ATOM 23829 H2 TIP3 8176 85.567 58.291 53.193 1.00 0.00 WT1 H ATOM 23830 OH2 TIP3 8177 69.414 29.791 37.409 1.00 0.00 WT1 O ATOM 23831 H1 TIP3 8177 70.026 30.414 37.017 1.00 0.00 WT1 H ATOM 23832 H2 TIP3 8177 69.963 29.225 37.952 1.00 0.00 WT1 H ATOM 23833 OH2 TIP3 8178 45.079 90.772 40.907 1.00 0.00 WT1 O ATOM 23834 H1 TIP3 8178 44.618 90.232 40.266 1.00 0.00 WT1 H ATOM 23835 H2 TIP3 8178 44.799 90.428 41.756 1.00 0.00 WT1 H ATOM 23836 OH2 TIP3 8179 87.694 63.717 65.669 1.00 0.00 WT1 O ATOM 23837 H1 TIP3 8179 87.712 62.765 65.761 1.00 0.00 WT1 H ATOM 23838 H2 TIP3 8179 88.457 64.020 66.162 1.00 0.00 WT1 H ATOM 23839 OH2 TIP3 8180 30.478 28.587 9.118 1.00 0.00 WT1 O ATOM 23840 H1 TIP3 8180 30.333 28.708 8.180 1.00 0.00 WT1 H ATOM 23841 H2 TIP3 8180 31.302 29.041 9.295 1.00 0.00 WT1 H ATOM 23842 OH2 TIP3 8181 60.264 50.395 -10.984 1.00 0.00 WT1 O ATOM 23843 H1 TIP3 8181 61.156 50.559 -11.289 1.00 0.00 WT1 H ATOM 23844 H2 TIP3 8181 59.951 51.249 -10.686 1.00 0.00 WT1 H ATOM 23845 OH2 TIP3 8182 34.959 94.432 44.799 1.00 0.00 WT1 O ATOM 23846 H1 TIP3 8182 35.824 94.723 44.511 1.00 0.00 WT1 H ATOM 23847 H2 TIP3 8182 35.138 93.800 45.495 1.00 0.00 WT1 H ATOM 23848 OH2 TIP3 8183 75.553 40.058 50.715 1.00 0.00 WT1 O ATOM 23849 H1 TIP3 8183 76.006 39.215 50.708 1.00 0.00 WT1 H ATOM 23850 H2 TIP3 8183 74.726 39.890 50.262 1.00 0.00 WT1 H ATOM 23851 OH2 TIP3 8184 33.810 8.137 -14.418 1.00 0.00 WT1 O ATOM 23852 H1 TIP3 8184 34.640 7.783 -14.737 1.00 0.00 WT1 H ATOM 23853 H2 TIP3 8184 33.383 7.397 -13.986 1.00 0.00 WT1 H ATOM 23854 OH2 TIP3 8185 81.419 73.087 40.996 1.00 0.00 WT1 O ATOM 23855 H1 TIP3 8185 81.811 72.245 41.228 1.00 0.00 WT1 H ATOM 23856 H2 TIP3 8185 81.057 72.950 40.121 1.00 0.00 WT1 H ATOM 23857 OH2 TIP3 8186 89.413 37.638 20.366 1.00 0.00 WT1 O ATOM 23858 H1 TIP3 8186 88.867 38.384 20.119 1.00 0.00 WT1 H ATOM 23859 H2 TIP3 8186 89.093 36.916 19.824 1.00 0.00 WT1 H ATOM 23860 OH2 TIP3 8187 21.972 46.698 -2.582 1.00 0.00 WT1 O ATOM 23861 H1 TIP3 8187 21.347 47.212 -2.070 1.00 0.00 WT1 H ATOM 23862 H2 TIP3 8187 22.240 45.991 -1.995 1.00 0.00 WT1 H ATOM 23863 OH2 TIP3 8188 54.353 39.364 44.713 1.00 0.00 WT1 O ATOM 23864 H1 TIP3 8188 53.509 39.429 44.266 1.00 0.00 WT1 H ATOM 23865 H2 TIP3 8188 54.915 38.893 44.098 1.00 0.00 WT1 H ATOM 23866 OH2 TIP3 8189 22.238 6.948 -4.565 1.00 0.00 WT1 O ATOM 23867 H1 TIP3 8189 21.343 6.772 -4.276 1.00 0.00 WT1 H ATOM 23868 H2 TIP3 8189 22.570 7.593 -3.940 1.00 0.00 WT1 H ATOM 23869 OH2 TIP3 8190 51.911 96.069 6.786 1.00 0.00 WT1 O ATOM 23870 H1 TIP3 8190 52.406 95.250 6.806 1.00 0.00 WT1 H ATOM 23871 H2 TIP3 8190 51.512 96.087 5.916 1.00 0.00 WT1 H ATOM 23872 OH2 TIP3 8192 85.908 72.225 -8.300 1.00 0.00 WT1 O ATOM 23873 H1 TIP3 8192 85.340 71.901 -7.601 1.00 0.00 WT1 H ATOM 23874 H2 TIP3 8192 85.886 73.177 -8.205 1.00 0.00 WT1 H ATOM 23875 OH2 TIP3 8193 71.884 4.288 -2.308 1.00 0.00 WT1 O ATOM 23876 H1 TIP3 8193 71.547 3.488 -2.711 1.00 0.00 WT1 H ATOM 23877 H2 TIP3 8193 72.205 4.008 -1.451 1.00 0.00 WT1 H ATOM 23878 OH2 TIP3 8194 72.463 64.109 12.050 1.00 0.00 WT1 O ATOM 23879 H1 TIP3 8194 73.129 63.449 11.858 1.00 0.00 WT1 H ATOM 23880 H2 TIP3 8194 71.814 63.648 12.582 1.00 0.00 WT1 H ATOM 23881 OH2 TIP3 8195 67.639 32.188 24.314 1.00 0.00 WT1 O ATOM 23882 H1 TIP3 8195 68.067 31.687 23.620 1.00 0.00 WT1 H ATOM 23883 H2 TIP3 8195 68.339 32.722 24.691 1.00 0.00 WT1 H ATOM 23884 OH2 TIP3 8196 39.608 62.950 6.424 1.00 0.00 WT1 O ATOM 23885 H1 TIP3 8196 40.450 62.613 6.730 1.00 0.00 WT1 H ATOM 23886 H2 TIP3 8196 39.063 62.171 6.316 1.00 0.00 WT1 H ATOM 23887 OH2 TIP3 8197 22.815 37.363 -1.339 1.00 0.00 WT1 O ATOM 23888 H1 TIP3 8197 22.162 37.147 -0.674 1.00 0.00 WT1 H ATOM 23889 H2 TIP3 8197 23.579 36.836 -1.105 1.00 0.00 WT1 H ATOM 23890 OH2 TIP3 8198 75.839 87.897 2.141 1.00 0.00 WT1 O ATOM 23891 H1 TIP3 8198 75.376 88.515 2.706 1.00 0.00 WT1 H ATOM 23892 H2 TIP3 8198 75.145 87.413 1.694 1.00 0.00 WT1 H ATOM 23893 OH2 TIP3 8199 43.209 83.319 55.639 1.00 0.00 WT1 O ATOM 23894 H1 TIP3 8199 43.920 83.038 56.215 1.00 0.00 WT1 H ATOM 23895 H2 TIP3 8199 43.559 83.209 54.755 1.00 0.00 WT1 H ATOM 23896 OH2 TIP3 8200 61.432 45.551 -8.359 1.00 0.00 WT1 O ATOM 23897 H1 TIP3 8200 61.730 45.983 -7.558 1.00 0.00 WT1 H ATOM 23898 H2 TIP3 8200 61.850 44.691 -8.337 1.00 0.00 WT1 H ATOM 23899 OH2 TIP3 8201 76.950 92.615 -1.184 1.00 0.00 WT1 O ATOM 23900 H1 TIP3 8201 76.622 92.212 -0.381 1.00 0.00 WT1 H ATOM 23901 H2 TIP3 8201 76.451 93.427 -1.267 1.00 0.00 WT1 H ATOM 23902 OH2 TIP3 8202 37.003 59.262 28.745 1.00 0.00 WT1 O ATOM 23903 H1 TIP3 8202 36.164 59.713 28.650 1.00 0.00 WT1 H ATOM 23904 H2 TIP3 8202 37.440 59.717 29.465 1.00 0.00 WT1 H ATOM 23905 OH2 TIP3 8203 74.239 55.101 6.672 1.00 0.00 WT1 O ATOM 23906 H1 TIP3 8203 73.678 55.866 6.801 1.00 0.00 WT1 H ATOM 23907 H2 TIP3 8203 73.773 54.386 7.107 1.00 0.00 WT1 H ATOM 23908 OH2 TIP3 8204 57.049 49.810 38.985 1.00 0.00 WT1 O ATOM 23909 H1 TIP3 8204 56.315 50.413 38.868 1.00 0.00 WT1 H ATOM 23910 H2 TIP3 8204 57.526 49.850 38.156 1.00 0.00 WT1 H ATOM 23911 OH2 TIP3 8205 60.120 51.892 24.418 1.00 0.00 WT1 O ATOM 23912 H1 TIP3 8205 59.614 52.653 24.134 1.00 0.00 WT1 H ATOM 23913 H2 TIP3 8205 59.600 51.139 24.136 1.00 0.00 WT1 H ATOM 23914 OH2 TIP3 8206 90.136 47.658 67.249 1.00 0.00 WT1 O ATOM 23915 H1 TIP3 8206 89.926 48.482 66.809 1.00 0.00 WT1 H ATOM 23916 H2 TIP3 8206 90.585 47.138 66.583 1.00 0.00 WT1 H ATOM 23917 OH2 TIP3 8207 85.105 52.523 -16.245 1.00 0.00 WT1 O ATOM 23918 H1 TIP3 8207 84.327 53.080 -16.268 1.00 0.00 WT1 H ATOM 23919 H2 TIP3 8207 85.153 52.215 -15.340 1.00 0.00 WT1 H ATOM 23920 OH2 TIP3 8208 86.565 42.486 13.740 1.00 0.00 WT1 O ATOM 23921 H1 TIP3 8208 85.664 42.788 13.855 1.00 0.00 WT1 H ATOM 23922 H2 TIP3 8208 86.626 41.701 14.284 1.00 0.00 WT1 H ATOM 23923 OH2 TIP3 8209 77.620 56.205 8.968 1.00 0.00 WT1 O ATOM 23924 H1 TIP3 8209 77.180 55.439 9.336 1.00 0.00 WT1 H ATOM 23925 H2 TIP3 8209 78.289 56.431 9.615 1.00 0.00 WT1 H ATOM 23926 OH2 TIP3 8210 55.792 13.825 7.210 1.00 0.00 WT1 O ATOM 23927 H1 TIP3 8210 55.590 13.135 6.577 1.00 0.00 WT1 H ATOM 23928 H2 TIP3 8210 55.143 13.711 7.904 1.00 0.00 WT1 H ATOM 23929 OH2 TIP3 8212 68.011 54.467 4.121 1.00 0.00 WT1 O ATOM 23930 H1 TIP3 8212 67.982 55.420 4.041 1.00 0.00 WT1 H ATOM 23931 H2 TIP3 8212 68.804 54.293 4.628 1.00 0.00 WT1 H ATOM 23932 OH2 TIP3 8215 77.067 48.659 -12.626 1.00 0.00 WT1 O ATOM 23933 H1 TIP3 8215 76.292 48.785 -12.078 1.00 0.00 WT1 H ATOM 23934 H2 TIP3 8215 77.798 48.647 -12.008 1.00 0.00 WT1 H ATOM 23935 OH2 TIP3 8216 37.623 39.027 35.029 1.00 0.00 WT1 O ATOM 23936 H1 TIP3 8216 37.525 39.828 34.514 1.00 0.00 WT1 H ATOM 23937 H2 TIP3 8216 37.696 39.330 35.934 1.00 0.00 WT1 H ATOM 23938 OH2 TIP3 8217 78.584 58.153 50.789 1.00 0.00 WT1 O ATOM 23939 H1 TIP3 8217 77.647 58.342 50.824 1.00 0.00 WT1 H ATOM 23940 H2 TIP3 8217 78.696 57.643 49.986 1.00 0.00 WT1 H ATOM 23941 OH2 TIP3 8218 81.258 32.665 56.583 1.00 0.00 WT1 O ATOM 23942 H1 TIP3 8218 81.419 32.131 55.806 1.00 0.00 WT1 H ATOM 23943 H2 TIP3 8218 82.126 32.961 56.857 1.00 0.00 WT1 H ATOM 23944 OH2 TIP3 8219 63.119 14.752 -9.735 1.00 0.00 WT1 O ATOM 23945 H1 TIP3 8219 63.011 15.474 -10.354 1.00 0.00 WT1 H ATOM 23946 H2 TIP3 8219 63.884 14.994 -9.214 1.00 0.00 WT1 H ATOM 23947 OH2 TIP3 8220 41.289 63.599 12.293 1.00 0.00 WT1 O ATOM 23948 H1 TIP3 8220 41.795 63.579 13.106 1.00 0.00 WT1 H ATOM 23949 H2 TIP3 8220 41.828 64.108 11.688 1.00 0.00 WT1 H ATOM 23950 OH2 TIP3 8221 62.229 19.866 16.703 1.00 0.00 WT1 O ATOM 23951 H1 TIP3 8221 61.280 19.884 16.580 1.00 0.00 WT1 H ATOM 23952 H2 TIP3 8221 62.347 19.590 17.612 1.00 0.00 WT1 H ATOM 23953 OH2 TIP3 8222 36.436 63.622 28.784 1.00 0.00 WT1 O ATOM 23954 H1 TIP3 8222 37.177 63.700 28.184 1.00 0.00 WT1 H ATOM 23955 H2 TIP3 8222 36.727 62.994 29.445 1.00 0.00 WT1 H ATOM 23956 OH2 TIP3 8223 56.439 50.816 -12.846 1.00 0.00 WT1 O ATOM 23957 H1 TIP3 8223 56.281 50.338 -12.032 1.00 0.00 WT1 H ATOM 23958 H2 TIP3 8223 57.180 50.363 -13.250 1.00 0.00 WT1 H ATOM 23959 OH2 TIP3 8224 24.598 29.725 -1.460 1.00 0.00 WT1 O ATOM 23960 H1 TIP3 8224 25.194 30.438 -1.234 1.00 0.00 WT1 H ATOM 23961 H2 TIP3 8224 24.042 30.085 -2.151 1.00 0.00 WT1 H ATOM 23962 OH2 TIP3 8225 67.193 28.936 26.419 1.00 0.00 WT1 O ATOM 23963 H1 TIP3 8225 66.385 29.448 26.397 1.00 0.00 WT1 H ATOM 23964 H2 TIP3 8225 67.444 28.923 27.343 1.00 0.00 WT1 H ATOM 23965 OH2 TIP3 8226 82.837 39.392 32.716 1.00 0.00 WT1 O ATOM 23966 H1 TIP3 8226 83.452 38.702 32.965 1.00 0.00 WT1 H ATOM 23967 H2 TIP3 8226 82.700 39.893 33.520 1.00 0.00 WT1 H ATOM 23968 OH2 TIP3 8227 78.932 28.877 -12.731 1.00 0.00 WT1 O ATOM 23969 H1 TIP3 8227 78.743 29.053 -11.809 1.00 0.00 WT1 H ATOM 23970 H2 TIP3 8227 78.453 28.071 -12.924 1.00 0.00 WT1 H ATOM 23971 OH2 TIP3 8228 83.095 86.979 5.988 1.00 0.00 WT1 O ATOM 23972 H1 TIP3 8228 83.127 87.567 6.742 1.00 0.00 WT1 H ATOM 23973 H2 TIP3 8228 82.234 86.564 6.042 1.00 0.00 WT1 H ATOM 23974 OH2 TIP3 8229 63.549 9.521 4.469 1.00 0.00 WT1 O ATOM 23975 H1 TIP3 8229 62.747 10.044 4.444 1.00 0.00 WT1 H ATOM 23976 H2 TIP3 8229 64.045 9.876 5.206 1.00 0.00 WT1 H ATOM 23977 OH2 TIP3 8230 42.299 88.440 21.009 1.00 0.00 WT1 O ATOM 23978 H1 TIP3 8230 42.283 87.512 21.243 1.00 0.00 WT1 H ATOM 23979 H2 TIP3 8230 41.709 88.856 21.636 1.00 0.00 WT1 H ATOM 23980 OH2 TIP3 8231 42.461 27.498 0.555 1.00 0.00 WT1 O ATOM 23981 H1 TIP3 8231 42.397 28.442 0.409 1.00 0.00 WT1 H ATOM 23982 H2 TIP3 8231 41.653 27.272 1.015 1.00 0.00 WT1 H ATOM 23983 OH2 TIP3 8232 63.537 53.478 32.089 1.00 0.00 WT1 O ATOM 23984 H1 TIP3 8232 63.742 54.332 31.707 1.00 0.00 WT1 H ATOM 23985 H2 TIP3 8232 62.719 53.216 31.667 1.00 0.00 WT1 H ATOM 23986 OH2 TIP3 8233 24.029 63.056 38.391 1.00 0.00 WT1 O ATOM 23987 H1 TIP3 8233 23.940 63.839 37.848 1.00 0.00 WT1 H ATOM 23988 H2 TIP3 8233 24.135 62.340 37.765 1.00 0.00 WT1 H ATOM 23989 OH2 TIP3 8234 62.656 41.697 -10.760 1.00 0.00 WT1 O ATOM 23990 H1 TIP3 8234 62.289 42.407 -11.286 1.00 0.00 WT1 H ATOM 23991 H2 TIP3 8234 63.036 41.095 -11.400 1.00 0.00 WT1 H ATOM 23992 OH2 TIP3 8235 36.830 64.742 -14.048 1.00 0.00 WT1 O ATOM 23993 H1 TIP3 8235 37.198 65.537 -13.663 1.00 0.00 WT1 H ATOM 23994 H2 TIP3 8235 35.894 64.793 -13.858 1.00 0.00 WT1 H ATOM 23995 OH2 TIP3 8236 56.046 29.034 35.553 1.00 0.00 WT1 O ATOM 23996 H1 TIP3 8236 55.986 29.987 35.480 1.00 0.00 WT1 H ATOM 23997 H2 TIP3 8236 55.488 28.815 36.299 1.00 0.00 WT1 H ATOM 23998 OH2 TIP3 8237 64.318 38.186 58.890 1.00 0.00 WT1 O ATOM 23999 H1 TIP3 8237 65.140 38.427 59.318 1.00 0.00 WT1 H ATOM 24000 H2 TIP3 8237 63.814 37.741 59.571 1.00 0.00 WT1 H ATOM 24001 OH2 TIP3 8238 81.827 95.693 -11.903 1.00 0.00 WT1 O ATOM 24002 H1 TIP3 8238 81.971 95.034 -11.224 1.00 0.00 WT1 H ATOM 24003 H2 TIP3 8238 81.251 96.338 -11.493 1.00 0.00 WT1 H ATOM 24004 OH2 TIP3 8239 62.707 0.593 17.115 1.00 0.00 WT1 O ATOM 24005 H1 TIP3 8239 63.053 0.974 17.922 1.00 0.00 WT1 H ATOM 24006 H2 TIP3 8239 62.085 -0.071 17.411 1.00 0.00 WT1 H ATOM 24007 OH2 TIP3 8240 87.734 35.927 -12.393 1.00 0.00 WT1 O ATOM 24008 H1 TIP3 8240 88.647 35.843 -12.666 1.00 0.00 WT1 H ATOM 24009 H2 TIP3 8240 87.558 36.867 -12.429 1.00 0.00 WT1 H ATOM 24010 OH2 TIP3 8241 22.234 44.846 8.022 1.00 0.00 WT1 O ATOM 24011 H1 TIP3 8241 21.584 45.543 8.102 1.00 0.00 WT1 H ATOM 24012 H2 TIP3 8241 22.979 45.150 8.541 1.00 0.00 WT1 H ATOM 24013 OH2 TIP3 8242 27.529 27.138 -10.430 1.00 0.00 WT1 O ATOM 24014 H1 TIP3 8242 27.179 27.728 -11.098 1.00 0.00 WT1 H ATOM 24015 H2 TIP3 8242 27.503 26.272 -10.837 1.00 0.00 WT1 H ATOM 24016 OH2 TIP3 8244 28.669 81.366 37.921 1.00 0.00 WT1 O ATOM 24017 H1 TIP3 8244 28.247 80.561 38.222 1.00 0.00 WT1 H ATOM 24018 H2 TIP3 8244 28.315 82.049 38.489 1.00 0.00 WT1 H ATOM 24019 OH2 TIP3 8245 50.268 42.968 29.785 1.00 0.00 WT1 O ATOM 24020 H1 TIP3 8245 50.609 43.684 29.249 1.00 0.00 WT1 H ATOM 24021 H2 TIP3 8245 50.514 42.175 29.309 1.00 0.00 WT1 H ATOM 24022 OH2 TIP3 8246 88.749 49.496 20.719 1.00 0.00 WT1 O ATOM 24023 H1 TIP3 8246 89.693 49.608 20.828 1.00 0.00 WT1 H ATOM 24024 H2 TIP3 8246 88.661 48.931 19.952 1.00 0.00 WT1 H ATOM 24025 OH2 TIP3 8248 82.655 25.105 48.909 1.00 0.00 WT1 O ATOM 24026 H1 TIP3 8248 83.289 25.729 49.263 1.00 0.00 WT1 H ATOM 24027 H2 TIP3 8248 81.862 25.622 48.770 1.00 0.00 WT1 H ATOM 24028 OH2 TIP3 8249 55.045 47.967 38.816 1.00 0.00 WT1 O ATOM 24029 H1 TIP3 8249 55.445 47.669 37.999 1.00 0.00 WT1 H ATOM 24030 H2 TIP3 8249 55.762 48.379 39.298 1.00 0.00 WT1 H ATOM 24031 OH2 TIP3 8250 85.285 6.730 59.998 1.00 0.00 WT1 O ATOM 24032 H1 TIP3 8250 85.725 7.494 59.625 1.00 0.00 WT1 H ATOM 24033 H2 TIP3 8250 85.994 6.121 60.204 1.00 0.00 WT1 H ATOM 24034 OH2 TIP3 8251 28.168 76.297 24.979 1.00 0.00 WT1 O ATOM 24035 H1 TIP3 8251 27.765 75.428 24.994 1.00 0.00 WT1 H ATOM 24036 H2 TIP3 8251 27.696 76.768 24.292 1.00 0.00 WT1 H ATOM 24037 OH2 TIP3 8252 57.477 17.697 55.409 1.00 0.00 WT1 O ATOM 24038 H1 TIP3 8252 56.645 17.806 55.870 1.00 0.00 WT1 H ATOM 24039 H2 TIP3 8252 57.746 18.588 55.185 1.00 0.00 WT1 H ATOM 24040 OH2 TIP3 8253 43.167 86.245 53.766 1.00 0.00 WT1 O ATOM 24041 H1 TIP3 8253 43.174 85.346 54.096 1.00 0.00 WT1 H ATOM 24042 H2 TIP3 8253 43.085 86.151 52.817 1.00 0.00 WT1 H ATOM 24043 OH2 TIP3 8254 39.958 55.327 64.151 1.00 0.00 WT1 O ATOM 24044 H1 TIP3 8254 39.155 54.952 63.789 1.00 0.00 WT1 H ATOM 24045 H2 TIP3 8254 39.908 56.258 63.931 1.00 0.00 WT1 H ATOM 24046 OH2 TIP3 8255 43.954 50.850 56.087 1.00 0.00 WT1 O ATOM 24047 H1 TIP3 8255 43.184 51.418 56.103 1.00 0.00 WT1 H ATOM 24048 H2 TIP3 8255 43.973 50.448 56.956 1.00 0.00 WT1 H ATOM 24049 OH2 TIP3 8256 54.264 6.561 -5.823 1.00 0.00 WT1 O ATOM 24050 H1 TIP3 8256 54.010 5.672 -6.071 1.00 0.00 WT1 H ATOM 24051 H2 TIP3 8256 54.192 7.067 -6.633 1.00 0.00 WT1 H ATOM 24052 OH2 TIP3 8257 38.641 3.386 41.867 1.00 0.00 WT1 O ATOM 24053 H1 TIP3 8257 38.938 3.693 42.724 1.00 0.00 WT1 H ATOM 24054 H2 TIP3 8257 38.914 4.074 41.259 1.00 0.00 WT1 H ATOM 24055 OH2 TIP3 8258 40.403 57.142 52.468 1.00 0.00 WT1 O ATOM 24056 H1 TIP3 8258 40.188 56.876 53.362 1.00 0.00 WT1 H ATOM 24057 H2 TIP3 8258 41.270 57.541 52.538 1.00 0.00 WT1 H ATOM 24058 OH2 TIP3 8259 23.070 59.764 -5.166 1.00 0.00 WT1 O ATOM 24059 H1 TIP3 8259 23.872 60.135 -4.798 1.00 0.00 WT1 H ATOM 24060 H2 TIP3 8259 22.374 60.346 -4.859 1.00 0.00 WT1 H ATOM 24061 OH2 TIP3 8260 35.481 18.753 -10.365 1.00 0.00 WT1 O ATOM 24062 H1 TIP3 8260 35.380 18.278 -11.190 1.00 0.00 WT1 H ATOM 24063 H2 TIP3 8260 35.088 19.610 -10.532 1.00 0.00 WT1 H ATOM 24064 OH2 TIP3 8261 21.881 46.275 30.901 1.00 0.00 WT1 O ATOM 24065 H1 TIP3 8261 21.620 47.157 30.638 1.00 0.00 WT1 H ATOM 24066 H2 TIP3 8261 21.427 45.697 30.287 1.00 0.00 WT1 H ATOM 24067 OH2 TIP3 8262 22.513 47.957 46.226 1.00 0.00 WT1 O ATOM 24068 H1 TIP3 8262 22.130 48.097 45.360 1.00 0.00 WT1 H ATOM 24069 H2 TIP3 8262 23.171 48.648 46.311 1.00 0.00 WT1 H ATOM 24070 OH2 TIP3 8263 73.821 84.247 52.117 1.00 0.00 WT1 O ATOM 24071 H1 TIP3 8263 74.236 83.834 52.875 1.00 0.00 WT1 H ATOM 24072 H2 TIP3 8263 74.375 84.000 51.376 1.00 0.00 WT1 H ATOM 24073 OH2 TIP3 8264 84.998 72.108 19.981 1.00 0.00 WT1 O ATOM 24074 H1 TIP3 8264 85.209 73.041 20.017 1.00 0.00 WT1 H ATOM 24075 H2 TIP3 8264 84.065 72.064 20.190 1.00 0.00 WT1 H ATOM 24076 OH2 TIP3 8265 40.128 49.860 67.311 1.00 0.00 WT1 O ATOM 24077 H1 TIP3 8265 39.736 50.438 66.655 1.00 0.00 WT1 H ATOM 24078 H2 TIP3 8265 39.404 49.308 67.607 1.00 0.00 WT1 H ATOM 24079 OH2 TIP3 8266 87.388 25.216 -6.598 1.00 0.00 WT1 O ATOM 24080 H1 TIP3 8266 86.803 24.488 -6.389 1.00 0.00 WT1 H ATOM 24081 H2 TIP3 8266 86.868 26.000 -6.422 1.00 0.00 WT1 H ATOM 24082 OH2 TIP3 8267 47.003 34.669 45.610 1.00 0.00 WT1 O ATOM 24083 H1 TIP3 8267 47.145 35.558 45.936 1.00 0.00 WT1 H ATOM 24084 H2 TIP3 8267 47.273 34.102 46.333 1.00 0.00 WT1 H ATOM 24085 OH2 TIP3 8268 33.485 34.067 44.059 1.00 0.00 WT1 O ATOM 24086 H1 TIP3 8268 33.171 33.546 44.799 1.00 0.00 WT1 H ATOM 24087 H2 TIP3 8268 33.640 33.427 43.364 1.00 0.00 WT1 H ATOM 24088 OH2 TIP3 8269 80.182 64.724 34.520 1.00 0.00 WT1 O ATOM 24089 H1 TIP3 8269 79.517 64.705 33.831 1.00 0.00 WT1 H ATOM 24090 H2 TIP3 8269 80.523 65.618 34.500 1.00 0.00 WT1 H ATOM 24091 OH2 TIP3 8271 66.990 71.064 1.840 1.00 0.00 WT1 O ATOM 24092 H1 TIP3 8271 66.794 71.062 0.904 1.00 0.00 WT1 H ATOM 24093 H2 TIP3 8271 66.661 71.907 2.153 1.00 0.00 WT1 H ATOM 24094 OH2 TIP3 8272 53.127 72.585 -12.751 1.00 0.00 WT1 O ATOM 24095 H1 TIP3 8272 52.508 71.990 -12.328 1.00 0.00 WT1 H ATOM 24096 H2 TIP3 8272 53.679 72.016 -13.287 1.00 0.00 WT1 H ATOM 24097 OH2 TIP3 8273 28.777 62.610 57.814 1.00 0.00 WT1 O ATOM 24098 H1 TIP3 8273 29.148 63.487 57.715 1.00 0.00 WT1 H ATOM 24099 H2 TIP3 8273 29.515 62.068 58.092 1.00 0.00 WT1 H ATOM 24100 OH2 TIP3 8274 29.645 77.923 -17.259 1.00 0.00 WT1 O ATOM 24101 H1 TIP3 8274 30.073 78.188 -18.073 1.00 0.00 WT1 H ATOM 24102 H2 TIP3 8274 29.372 77.019 -17.414 1.00 0.00 WT1 H ATOM 24103 OH2 TIP3 8275 66.378 63.306 12.209 1.00 0.00 WT1 O ATOM 24104 H1 TIP3 8275 65.590 63.817 12.393 1.00 0.00 WT1 H ATOM 24105 H2 TIP3 8275 66.202 62.447 12.592 1.00 0.00 WT1 H ATOM 24106 OH2 TIP3 8276 82.087 49.051 13.888 1.00 0.00 WT1 O ATOM 24107 H1 TIP3 8276 81.156 49.224 14.027 1.00 0.00 WT1 H ATOM 24108 H2 TIP3 8276 82.489 49.918 13.848 1.00 0.00 WT1 H ATOM 24109 OH2 TIP3 8277 70.932 76.268 2.822 1.00 0.00 WT1 O ATOM 24110 H1 TIP3 8277 70.989 77.119 3.255 1.00 0.00 WT1 H ATOM 24111 H2 TIP3 8277 70.708 75.656 3.524 1.00 0.00 WT1 H ATOM 24112 OH2 TIP3 8278 27.173 38.729 61.478 1.00 0.00 WT1 O ATOM 24113 H1 TIP3 8278 27.154 39.644 61.758 1.00 0.00 WT1 H ATOM 24114 H2 TIP3 8278 28.020 38.403 61.781 1.00 0.00 WT1 H ATOM 24115 OH2 TIP3 8279 31.694 51.010 65.463 1.00 0.00 WT1 O ATOM 24116 H1 TIP3 8279 31.298 50.910 66.329 1.00 0.00 WT1 H ATOM 24117 H2 TIP3 8279 32.381 50.345 65.435 1.00 0.00 WT1 H ATOM 24118 OH2 TIP3 8280 87.716 45.993 30.870 1.00 0.00 WT1 O ATOM 24119 H1 TIP3 8280 86.799 46.244 30.984 1.00 0.00 WT1 H ATOM 24120 H2 TIP3 8280 87.825 45.907 29.923 1.00 0.00 WT1 H ATOM 24121 OH2 TIP3 8281 59.677 47.250 51.987 1.00 0.00 WT1 O ATOM 24122 H1 TIP3 8281 59.476 47.611 51.123 1.00 0.00 WT1 H ATOM 24123 H2 TIP3 8281 58.963 46.636 52.162 1.00 0.00 WT1 H ATOM 24124 OH2 TIP3 8282 64.714 36.721 -6.253 1.00 0.00 WT1 O ATOM 24125 H1 TIP3 8282 65.657 36.873 -6.320 1.00 0.00 WT1 H ATOM 24126 H2 TIP3 8282 64.617 36.134 -5.504 1.00 0.00 WT1 H ATOM 24127 OH2 TIP3 8283 64.338 46.970 9.478 1.00 0.00 WT1 O ATOM 24128 H1 TIP3 8283 63.625 47.550 9.747 1.00 0.00 WT1 H ATOM 24129 H2 TIP3 8283 64.357 46.287 10.148 1.00 0.00 WT1 H ATOM 24130 OH2 TIP3 8285 70.093 43.566 62.865 1.00 0.00 WT1 O ATOM 24131 H1 TIP3 8285 70.580 43.041 63.500 1.00 0.00 WT1 H ATOM 24132 H2 TIP3 8285 70.328 43.193 62.015 1.00 0.00 WT1 H ATOM 24133 OH2 TIP3 8286 40.580 19.859 31.975 1.00 0.00 WT1 O ATOM 24134 H1 TIP3 8286 40.685 20.806 31.890 1.00 0.00 WT1 H ATOM 24135 H2 TIP3 8286 40.345 19.563 31.096 1.00 0.00 WT1 H ATOM 24136 OH2 TIP3 8287 40.485 76.469 10.884 1.00 0.00 WT1 O ATOM 24137 H1 TIP3 8287 40.605 76.136 11.774 1.00 0.00 WT1 H ATOM 24138 H2 TIP3 8287 39.906 77.224 10.987 1.00 0.00 WT1 H ATOM 24139 OH2 TIP3 8288 51.896 15.576 52.386 1.00 0.00 WT1 O ATOM 24140 H1 TIP3 8288 52.194 16.363 52.841 1.00 0.00 WT1 H ATOM 24141 H2 TIP3 8288 52.216 15.681 51.490 1.00 0.00 WT1 H ATOM 24142 OH2 TIP3 8289 87.789 40.717 42.757 1.00 0.00 WT1 O ATOM 24143 H1 TIP3 8289 87.073 41.211 43.158 1.00 0.00 WT1 H ATOM 24144 H2 TIP3 8289 88.567 40.981 43.248 1.00 0.00 WT1 H ATOM 24145 OH2 TIP3 8290 48.022 73.181 -2.142 1.00 0.00 WT1 O ATOM 24146 H1 TIP3 8290 48.581 72.812 -1.458 1.00 0.00 WT1 H ATOM 24147 H2 TIP3 8290 48.565 73.164 -2.931 1.00 0.00 WT1 H ATOM 24148 OH2 TIP3 8291 24.310 83.967 40.995 1.00 0.00 WT1 O ATOM 24149 H1 TIP3 8291 24.525 84.558 40.273 1.00 0.00 WT1 H ATOM 24150 H2 TIP3 8291 23.810 83.261 40.586 1.00 0.00 WT1 H ATOM 24151 OH2 TIP3 8292 38.499 0.377 19.679 1.00 0.00 WT1 O ATOM 24152 H1 TIP3 8292 38.338 0.799 18.835 1.00 0.00 WT1 H ATOM 24153 H2 TIP3 8292 38.087 0.957 20.319 1.00 0.00 WT1 H ATOM 24154 OH2 TIP3 8293 60.326 35.466 66.899 1.00 0.00 WT1 O ATOM 24155 H1 TIP3 8293 60.826 36.235 67.172 1.00 0.00 WT1 H ATOM 24156 H2 TIP3 8293 59.467 35.812 66.657 1.00 0.00 WT1 H ATOM 24157 OH2 TIP3 8294 45.793 25.895 2.649 1.00 0.00 WT1 O ATOM 24158 H1 TIP3 8294 46.282 25.495 3.369 1.00 0.00 WT1 H ATOM 24159 H2 TIP3 8294 45.766 26.827 2.866 1.00 0.00 WT1 H ATOM 24160 OH2 TIP3 8295 60.352 65.712 24.916 1.00 0.00 WT1 O ATOM 24161 H1 TIP3 8295 60.789 65.788 24.068 1.00 0.00 WT1 H ATOM 24162 H2 TIP3 8295 59.456 65.452 24.701 1.00 0.00 WT1 H ATOM 24163 OH2 TIP3 8296 59.857 84.788 18.861 1.00 0.00 WT1 O ATOM 24164 H1 TIP3 8296 59.705 84.444 19.741 1.00 0.00 WT1 H ATOM 24165 H2 TIP3 8296 59.177 84.382 18.324 1.00 0.00 WT1 H ATOM 24166 OH2 TIP3 8297 69.542 49.720 65.452 1.00 0.00 WT1 O ATOM 24167 H1 TIP3 8297 69.726 49.994 66.351 1.00 0.00 WT1 H ATOM 24168 H2 TIP3 8297 68.765 50.221 65.203 1.00 0.00 WT1 H ATOM 24169 OH2 TIP3 8298 21.844 69.523 41.974 1.00 0.00 WT1 O ATOM 24170 H1 TIP3 8298 22.086 69.762 42.869 1.00 0.00 WT1 H ATOM 24171 H2 TIP3 8298 22.453 68.823 41.739 1.00 0.00 WT1 H ATOM 24172 OH2 TIP3 8299 66.210 25.491 10.095 1.00 0.00 WT1 O ATOM 24173 H1 TIP3 8299 66.355 25.334 9.162 1.00 0.00 WT1 H ATOM 24174 H2 TIP3 8299 65.448 24.954 10.313 1.00 0.00 WT1 H ATOM 24175 OH2 TIP3 8300 65.765 47.716 -16.430 1.00 0.00 WT1 O ATOM 24176 H1 TIP3 8300 65.785 48.469 -15.838 1.00 0.00 WT1 H ATOM 24177 H2 TIP3 8300 66.338 47.966 -17.155 1.00 0.00 WT1 H ATOM 24178 OH2 TIP3 8301 75.182 89.498 12.302 1.00 0.00 WT1 O ATOM 24179 H1 TIP3 8301 75.240 88.545 12.364 1.00 0.00 WT1 H ATOM 24180 H2 TIP3 8301 76.090 89.790 12.227 1.00 0.00 WT1 H ATOM 24181 OH2 TIP3 8302 51.217 41.410 21.974 1.00 0.00 WT1 O ATOM 24182 H1 TIP3 8302 51.419 42.279 21.627 1.00 0.00 WT1 H ATOM 24183 H2 TIP3 8302 51.135 40.855 21.199 1.00 0.00 WT1 H ATOM 24184 OH2 TIP3 8303 23.312 68.659 29.480 1.00 0.00 WT1 O ATOM 24185 H1 TIP3 8303 23.047 67.887 28.981 1.00 0.00 WT1 H ATOM 24186 H2 TIP3 8303 23.474 69.330 28.817 1.00 0.00 WT1 H ATOM 24187 OH2 TIP3 8304 43.761 31.123 34.924 1.00 0.00 WT1 O ATOM 24188 H1 TIP3 8304 44.213 30.918 34.106 1.00 0.00 WT1 H ATOM 24189 H2 TIP3 8304 44.230 31.880 35.274 1.00 0.00 WT1 H ATOM 24190 OH2 TIP3 8305 74.132 59.307 22.128 1.00 0.00 WT1 O ATOM 24191 H1 TIP3 8305 73.918 59.083 21.222 1.00 0.00 WT1 H ATOM 24192 H2 TIP3 8305 73.474 58.849 22.650 1.00 0.00 WT1 H ATOM 24193 OH2 TIP3 8306 76.131 61.042 43.057 1.00 0.00 WT1 O ATOM 24194 H1 TIP3 8306 76.918 60.608 43.388 1.00 0.00 WT1 H ATOM 24195 H2 TIP3 8306 75.465 60.871 43.723 1.00 0.00 WT1 H ATOM 24196 OH2 TIP3 8307 79.903 59.195 65.401 1.00 0.00 WT1 O ATOM 24197 H1 TIP3 8307 79.276 59.738 65.878 1.00 0.00 WT1 H ATOM 24198 H2 TIP3 8307 79.397 58.821 64.680 1.00 0.00 WT1 H ATOM 24199 OH2 TIP3 8308 35.593 70.296 -5.126 1.00 0.00 WT1 O ATOM 24200 H1 TIP3 8308 35.453 70.757 -5.952 1.00 0.00 WT1 H ATOM 24201 H2 TIP3 8308 36.537 70.356 -4.975 1.00 0.00 WT1 H ATOM 24202 OH2 TIP3 8309 28.726 1.855 -17.847 1.00 0.00 WT1 O ATOM 24203 H1 TIP3 8309 29.661 1.716 -17.697 1.00 0.00 WT1 H ATOM 24204 H2 TIP3 8309 28.686 2.621 -18.420 1.00 0.00 WT1 H ATOM 24205 OH2 TIP3 8310 43.836 30.160 3.275 1.00 0.00 WT1 O ATOM 24206 H1 TIP3 8310 44.325 30.154 2.452 1.00 0.00 WT1 H ATOM 24207 H2 TIP3 8310 44.214 30.884 3.774 1.00 0.00 WT1 H ATOM 24208 OH2 TIP3 8311 20.447 36.236 56.068 1.00 0.00 WT1 O ATOM 24209 H1 TIP3 8311 20.069 36.714 55.330 1.00 0.00 WT1 H ATOM 24210 H2 TIP3 8311 20.504 35.331 55.764 1.00 0.00 WT1 H ATOM 24211 OH2 TIP3 8312 68.788 20.318 -18.318 1.00 0.00 WT1 O ATOM 24212 H1 TIP3 8312 69.537 20.826 -18.630 1.00 0.00 WT1 H ATOM 24213 H2 TIP3 8312 69.171 19.508 -17.982 1.00 0.00 WT1 H ATOM 24214 OH2 TIP3 8313 54.310 70.127 24.226 1.00 0.00 WT1 O ATOM 24215 H1 TIP3 8313 54.025 69.602 23.478 1.00 0.00 WT1 H ATOM 24216 H2 TIP3 8313 54.694 70.912 23.835 1.00 0.00 WT1 H ATOM 24217 OH2 TIP3 8314 68.041 84.174 36.682 1.00 0.00 WT1 O ATOM 24218 H1 TIP3 8314 68.138 83.990 37.616 1.00 0.00 WT1 H ATOM 24219 H2 TIP3 8314 67.188 84.603 36.610 1.00 0.00 WT1 H ATOM 24220 OH2 TIP3 8315 71.656 78.374 52.483 1.00 0.00 WT1 O ATOM 24221 H1 TIP3 8315 70.809 78.049 52.175 1.00 0.00 WT1 H ATOM 24222 H2 TIP3 8315 71.451 79.200 52.921 1.00 0.00 WT1 H ATOM 24223 OH2 TIP3 8316 38.487 30.863 36.268 1.00 0.00 WT1 O ATOM 24224 H1 TIP3 8316 39.181 31.227 35.717 1.00 0.00 WT1 H ATOM 24225 H2 TIP3 8316 37.881 31.591 36.402 1.00 0.00 WT1 H ATOM 24226 OH2 TIP3 8317 81.255 23.056 -7.594 1.00 0.00 WT1 O ATOM 24227 H1 TIP3 8317 80.716 22.674 -6.901 1.00 0.00 WT1 H ATOM 24228 H2 TIP3 8317 81.244 23.996 -7.416 1.00 0.00 WT1 H ATOM 24229 OH2 TIP3 8319 31.820 6.779 35.744 1.00 0.00 WT1 O ATOM 24230 H1 TIP3 8319 31.525 6.949 36.638 1.00 0.00 WT1 H ATOM 24231 H2 TIP3 8319 31.186 7.235 35.191 1.00 0.00 WT1 H ATOM 24232 OH2 TIP3 8321 39.927 10.942 -11.565 1.00 0.00 WT1 O ATOM 24233 H1 TIP3 8321 39.212 11.554 -11.740 1.00 0.00 WT1 H ATOM 24234 H2 TIP3 8321 40.658 11.498 -11.296 1.00 0.00 WT1 H ATOM 24235 OH2 TIP3 8322 47.822 71.446 56.923 1.00 0.00 WT1 O ATOM 24236 H1 TIP3 8322 47.772 72.312 57.328 1.00 0.00 WT1 H ATOM 24237 H2 TIP3 8322 47.880 71.623 55.984 1.00 0.00 WT1 H ATOM 24238 OH2 TIP3 8323 44.492 37.331 -6.160 1.00 0.00 WT1 O ATOM 24239 H1 TIP3 8323 44.334 36.990 -5.279 1.00 0.00 WT1 H ATOM 24240 H2 TIP3 8323 43.673 37.170 -6.630 1.00 0.00 WT1 H ATOM 24241 OH2 TIP3 8324 27.582 15.217 31.308 1.00 0.00 WT1 O ATOM 24242 H1 TIP3 8324 28.445 14.930 31.605 1.00 0.00 WT1 H ATOM 24243 H2 TIP3 8324 27.765 15.869 30.632 1.00 0.00 WT1 H ATOM 24244 OH2 TIP3 8325 80.949 79.944 6.565 1.00 0.00 WT1 O ATOM 24245 H1 TIP3 8325 80.892 79.001 6.721 1.00 0.00 WT1 H ATOM 24246 H2 TIP3 8325 80.078 80.188 6.252 1.00 0.00 WT1 H ATOM 24247 OH2 TIP3 8326 63.190 71.952 -0.058 1.00 0.00 WT1 O ATOM 24248 H1 TIP3 8326 63.607 72.322 0.721 1.00 0.00 WT1 H ATOM 24249 H2 TIP3 8326 62.525 72.595 -0.302 1.00 0.00 WT1 H ATOM 24250 OH2 TIP3 8327 72.889 52.943 58.519 1.00 0.00 WT1 O ATOM 24251 H1 TIP3 8327 72.001 53.271 58.375 1.00 0.00 WT1 H ATOM 24252 H2 TIP3 8327 73.333 53.650 58.987 1.00 0.00 WT1 H ATOM 24253 OH2 TIP3 8328 26.077 1.137 35.329 1.00 0.00 WT1 O ATOM 24254 H1 TIP3 8328 25.177 1.019 35.633 1.00 0.00 WT1 H ATOM 24255 H2 TIP3 8328 26.524 1.558 36.064 1.00 0.00 WT1 H ATOM 24256 OH2 TIP3 8329 33.277 22.915 44.711 1.00 0.00 WT1 O ATOM 24257 H1 TIP3 8329 32.983 22.066 45.039 1.00 0.00 WT1 H ATOM 24258 H2 TIP3 8329 34.217 22.804 44.566 1.00 0.00 WT1 H ATOM 24259 OH2 TIP3 8330 23.500 67.863 15.869 1.00 0.00 WT1 O ATOM 24260 H1 TIP3 8330 23.322 68.145 16.766 1.00 0.00 WT1 H ATOM 24261 H2 TIP3 8330 24.441 67.688 15.855 1.00 0.00 WT1 H ATOM 24262 OH2 TIP3 8331 43.557 57.214 56.034 1.00 0.00 WT1 O ATOM 24263 H1 TIP3 8331 42.705 57.298 56.463 1.00 0.00 WT1 H ATOM 24264 H2 TIP3 8331 43.793 56.293 56.147 1.00 0.00 WT1 H ATOM 24265 OH2 TIP3 8332 27.441 84.568 -19.869 1.00 0.00 WT1 O ATOM 24266 H1 TIP3 8332 27.005 84.229 -19.088 1.00 0.00 WT1 H ATOM 24267 H2 TIP3 8332 27.980 85.291 -19.549 1.00 0.00 WT1 H ATOM 24268 OH2 TIP3 8334 45.218 35.084 17.157 1.00 0.00 WT1 O ATOM 24269 H1 TIP3 8334 44.266 35.172 17.190 1.00 0.00 WT1 H ATOM 24270 H2 TIP3 8334 45.401 34.776 16.270 1.00 0.00 WT1 H ATOM 24271 OH2 TIP3 8335 34.585 72.329 43.961 1.00 0.00 WT1 O ATOM 24272 H1 TIP3 8335 35.248 71.643 44.031 1.00 0.00 WT1 H ATOM 24273 H2 TIP3 8335 34.830 72.821 43.177 1.00 0.00 WT1 H ATOM 24274 OH2 TIP3 8336 62.907 42.025 32.450 1.00 0.00 WT1 O ATOM 24275 H1 TIP3 8336 62.260 41.320 32.426 1.00 0.00 WT1 H ATOM 24276 H2 TIP3 8336 62.448 42.783 32.088 1.00 0.00 WT1 H ATOM 24277 OH2 TIP3 8338 20.751 51.537 51.628 1.00 0.00 WT1 O ATOM 24278 H1 TIP3 8338 20.782 51.769 52.556 1.00 0.00 WT1 H ATOM 24279 H2 TIP3 8338 20.593 52.366 51.178 1.00 0.00 WT1 H ATOM 24280 OH2 TIP3 8339 41.443 6.621 33.756 1.00 0.00 WT1 O ATOM 24281 H1 TIP3 8339 41.572 6.791 32.822 1.00 0.00 WT1 H ATOM 24282 H2 TIP3 8339 42.292 6.816 34.154 1.00 0.00 WT1 H ATOM 24283 OH2 TIP3 8341 64.663 30.861 57.079 1.00 0.00 WT1 O ATOM 24284 H1 TIP3 8341 64.203 31.636 57.402 1.00 0.00 WT1 H ATOM 24285 H2 TIP3 8341 63.967 30.281 56.771 1.00 0.00 WT1 H ATOM 24286 OH2 TIP3 8342 26.647 24.559 51.867 1.00 0.00 WT1 O ATOM 24287 H1 TIP3 8342 26.246 23.727 51.615 1.00 0.00 WT1 H ATOM 24288 H2 TIP3 8342 27.023 24.393 52.731 1.00 0.00 WT1 H ATOM 24289 OH2 TIP3 8344 79.082 74.210 7.499 1.00 0.00 WT1 O ATOM 24290 H1 TIP3 8344 78.617 74.835 8.055 1.00 0.00 WT1 H ATOM 24291 H2 TIP3 8344 78.907 73.358 7.899 1.00 0.00 WT1 H ATOM 24292 OH2 TIP3 8345 89.473 31.810 7.429 1.00 0.00 WT1 O ATOM 24293 H1 TIP3 8345 90.193 31.357 7.869 1.00 0.00 WT1 H ATOM 24294 H2 TIP3 8345 89.064 32.334 8.117 1.00 0.00 WT1 H ATOM 24295 OH2 TIP3 8346 40.743 67.738 59.326 1.00 0.00 WT1 O ATOM 24296 H1 TIP3 8346 40.104 68.081 58.701 1.00 0.00 WT1 H ATOM 24297 H2 TIP3 8346 41.580 67.786 58.863 1.00 0.00 WT1 H ATOM 24298 OH2 TIP3 8347 76.580 58.397 16.408 1.00 0.00 WT1 O ATOM 24299 H1 TIP3 8347 75.903 58.760 15.837 1.00 0.00 WT1 H ATOM 24300 H2 TIP3 8347 76.094 57.954 17.104 1.00 0.00 WT1 H ATOM 24301 OH2 TIP3 8348 22.181 1.856 0.233 1.00 0.00 WT1 O ATOM 24302 H1 TIP3 8348 22.438 2.562 -0.361 1.00 0.00 WT1 H ATOM 24303 H2 TIP3 8348 22.967 1.680 0.750 1.00 0.00 WT1 H ATOM 24304 OH2 TIP3 8349 82.942 93.819 -3.296 1.00 0.00 WT1 O ATOM 24305 H1 TIP3 8349 82.329 93.104 -3.126 1.00 0.00 WT1 H ATOM 24306 H2 TIP3 8349 82.396 94.605 -3.311 1.00 0.00 WT1 H ATOM 24307 OH2 TIP3 8350 40.277 73.823 9.750 1.00 0.00 WT1 O ATOM 24308 H1 TIP3 8350 40.218 73.187 10.463 1.00 0.00 WT1 H ATOM 24309 H2 TIP3 8350 40.335 74.671 10.189 1.00 0.00 WT1 H ATOM 24310 OH2 TIP3 8351 40.577 30.645 32.659 1.00 0.00 WT1 O ATOM 24311 H1 TIP3 8351 40.679 30.769 33.602 1.00 0.00 WT1 H ATOM 24312 H2 TIP3 8351 40.204 31.469 32.347 1.00 0.00 WT1 H ATOM 24313 OH2 TIP3 8352 30.987 46.835 54.592 1.00 0.00 WT1 O ATOM 24314 H1 TIP3 8352 31.931 46.978 54.656 1.00 0.00 WT1 H ATOM 24315 H2 TIP3 8352 30.659 47.605 54.126 1.00 0.00 WT1 H ATOM 24316 OH2 TIP3 8353 83.540 31.712 32.466 1.00 0.00 WT1 O ATOM 24317 H1 TIP3 8353 84.142 31.080 32.858 1.00 0.00 WT1 H ATOM 24318 H2 TIP3 8353 84.105 32.307 31.973 1.00 0.00 WT1 H ATOM 24319 OH2 TIP3 8354 52.677 43.039 65.637 1.00 0.00 WT1 O ATOM 24320 H1 TIP3 8354 53.407 42.814 66.215 1.00 0.00 WT1 H ATOM 24321 H2 TIP3 8354 52.106 42.271 65.663 1.00 0.00 WT1 H ATOM 24322 OH2 TIP3 8355 65.176 13.704 -7.267 1.00 0.00 WT1 O ATOM 24323 H1 TIP3 8355 64.404 13.930 -6.750 1.00 0.00 WT1 H ATOM 24324 H2 TIP3 8355 65.529 14.546 -7.553 1.00 0.00 WT1 H ATOM 24325 OH2 TIP3 8356 56.002 1.726 11.899 1.00 0.00 WT1 O ATOM 24326 H1 TIP3 8356 55.276 2.249 12.238 1.00 0.00 WT1 H ATOM 24327 H2 TIP3 8356 56.762 2.012 12.406 1.00 0.00 WT1 H ATOM 24328 OH2 TIP3 8357 30.813 85.565 -18.664 1.00 0.00 WT1 O ATOM 24329 H1 TIP3 8357 30.152 85.965 -18.099 1.00 0.00 WT1 H ATOM 24330 H2 TIP3 8357 31.311 86.305 -19.012 1.00 0.00 WT1 H ATOM 24331 OH2 TIP3 8358 85.885 34.171 -16.563 1.00 0.00 WT1 O ATOM 24332 H1 TIP3 8358 85.784 35.101 -16.362 1.00 0.00 WT1 H ATOM 24333 H2 TIP3 8358 85.987 33.751 -15.709 1.00 0.00 WT1 H ATOM 24334 OH2 TIP3 8359 67.332 88.855 35.272 1.00 0.00 WT1 O ATOM 24335 H1 TIP3 8359 66.827 88.941 36.082 1.00 0.00 WT1 H ATOM 24336 H2 TIP3 8359 66.735 88.421 34.663 1.00 0.00 WT1 H ATOM 24337 OH2 TIP3 8360 38.466 3.890 57.565 1.00 0.00 WT1 O ATOM 24338 H1 TIP3 8360 39.136 3.288 57.888 1.00 0.00 WT1 H ATOM 24339 H2 TIP3 8360 38.955 4.657 57.268 1.00 0.00 WT1 H ATOM 24340 OH2 TIP3 8361 59.492 71.846 27.198 1.00 0.00 WT1 O ATOM 24341 H1 TIP3 8361 59.402 72.177 26.304 1.00 0.00 WT1 H ATOM 24342 H2 TIP3 8361 58.819 71.169 27.271 1.00 0.00 WT1 H ATOM 24343 OH2 TIP3 8362 67.993 37.922 47.499 1.00 0.00 WT1 O ATOM 24344 H1 TIP3 8362 68.451 38.714 47.779 1.00 0.00 WT1 H ATOM 24345 H2 TIP3 8362 68.095 37.908 46.547 1.00 0.00 WT1 H ATOM 24346 OH2 TIP3 8363 81.697 79.066 49.519 1.00 0.00 WT1 O ATOM 24347 H1 TIP3 8363 81.974 79.936 49.808 1.00 0.00 WT1 H ATOM 24348 H2 TIP3 8363 81.101 79.235 48.789 1.00 0.00 WT1 H ATOM 24349 OH2 TIP3 8364 24.041 91.041 2.922 1.00 0.00 WT1 O ATOM 24350 H1 TIP3 8364 23.172 91.196 2.553 1.00 0.00 WT1 H ATOM 24351 H2 TIP3 8364 23.907 90.349 3.569 1.00 0.00 WT1 H ATOM 24352 OH2 TIP3 8365 81.274 34.797 23.074 1.00 0.00 WT1 O ATOM 24353 H1 TIP3 8365 82.167 35.072 22.865 1.00 0.00 WT1 H ATOM 24354 H2 TIP3 8365 80.756 35.600 23.018 1.00 0.00 WT1 H ATOM 24355 OH2 TIP3 8366 68.671 37.403 5.414 1.00 0.00 WT1 O ATOM 24356 H1 TIP3 8366 69.298 37.480 6.133 1.00 0.00 WT1 H ATOM 24357 H2 TIP3 8366 68.671 38.268 5.003 1.00 0.00 WT1 H ATOM 24358 OH2 TIP3 8367 49.967 32.209 0.953 1.00 0.00 WT1 O ATOM 24359 H1 TIP3 8367 49.757 32.026 1.868 1.00 0.00 WT1 H ATOM 24360 H2 TIP3 8367 49.141 32.081 0.487 1.00 0.00 WT1 H ATOM 24361 OH2 TIP3 8368 87.465 87.698 -9.369 1.00 0.00 WT1 O ATOM 24362 H1 TIP3 8368 87.863 88.097 -8.596 1.00 0.00 WT1 H ATOM 24363 H2 TIP3 8368 88.182 87.224 -9.791 1.00 0.00 WT1 H ATOM 24364 OH2 TIP3 8369 67.021 52.308 7.073 1.00 0.00 WT1 O ATOM 24365 H1 TIP3 8369 66.934 53.197 7.418 1.00 0.00 WT1 H ATOM 24366 H2 TIP3 8369 67.353 51.796 7.811 1.00 0.00 WT1 H ATOM 24367 OH2 TIP3 8370 72.770 15.390 8.679 1.00 0.00 WT1 O ATOM 24368 H1 TIP3 8370 72.547 16.321 8.683 1.00 0.00 WT1 H ATOM 24369 H2 TIP3 8370 72.722 15.136 7.757 1.00 0.00 WT1 H ATOM 24370 OH2 TIP3 8371 33.810 87.852 32.330 1.00 0.00 WT1 O ATOM 24371 H1 TIP3 8371 33.826 87.880 33.287 1.00 0.00 WT1 H ATOM 24372 H2 TIP3 8371 32.894 88.012 32.101 1.00 0.00 WT1 H ATOM 24373 OH2 TIP3 8372 37.519 79.282 51.087 1.00 0.00 WT1 O ATOM 24374 H1 TIP3 8372 37.687 78.454 50.636 1.00 0.00 WT1 H ATOM 24375 H2 TIP3 8372 37.254 79.884 50.392 1.00 0.00 WT1 H ATOM 24376 OH2 TIP3 8373 50.922 79.126 40.339 1.00 0.00 WT1 O ATOM 24377 H1 TIP3 8373 50.327 79.839 40.570 1.00 0.00 WT1 H ATOM 24378 H2 TIP3 8373 51.588 79.538 39.789 1.00 0.00 WT1 H ATOM 24379 OH2 TIP3 8374 78.955 23.216 -10.970 1.00 0.00 WT1 O ATOM 24380 H1 TIP3 8374 79.266 22.470 -10.457 1.00 0.00 WT1 H ATOM 24381 H2 TIP3 8374 79.462 23.960 -10.645 1.00 0.00 WT1 H ATOM 24382 OH2 TIP3 8375 81.150 73.675 -6.742 1.00 0.00 WT1 O ATOM 24383 H1 TIP3 8375 81.888 73.434 -6.182 1.00 0.00 WT1 H ATOM 24384 H2 TIP3 8375 80.386 73.299 -6.306 1.00 0.00 WT1 H ATOM 24385 OH2 TIP3 8376 81.363 85.028 -17.092 1.00 0.00 WT1 O ATOM 24386 H1 TIP3 8376 82.245 85.157 -17.439 1.00 0.00 WT1 H ATOM 24387 H2 TIP3 8376 81.476 84.409 -16.371 1.00 0.00 WT1 H ATOM 24388 OH2 TIP3 8377 63.651 19.506 19.394 1.00 0.00 WT1 O ATOM 24389 H1 TIP3 8377 64.552 19.777 19.572 1.00 0.00 WT1 H ATOM 24390 H2 TIP3 8377 63.153 20.324 19.381 1.00 0.00 WT1 H ATOM 24391 OH2 TIP3 8378 43.620 12.929 -8.024 1.00 0.00 WT1 O ATOM 24392 H1 TIP3 8378 44.301 12.760 -8.676 1.00 0.00 WT1 H ATOM 24393 H2 TIP3 8378 44.064 13.430 -7.339 1.00 0.00 WT1 H ATOM 24394 OH2 TIP3 8379 72.110 55.941 2.321 1.00 0.00 WT1 O ATOM 24395 H1 TIP3 8379 72.176 55.082 2.740 1.00 0.00 WT1 H ATOM 24396 H2 TIP3 8379 72.918 56.390 2.567 1.00 0.00 WT1 H ATOM 24397 OH2 TIP3 8380 24.690 16.835 -13.109 1.00 0.00 WT1 O ATOM 24398 H1 TIP3 8380 24.095 17.539 -12.851 1.00 0.00 WT1 H ATOM 24399 H2 TIP3 8380 24.926 17.040 -14.014 1.00 0.00 WT1 H ATOM 24400 OH2 TIP3 8381 83.850 61.128 -16.530 1.00 0.00 WT1 O ATOM 24401 H1 TIP3 8381 83.699 60.183 -16.522 1.00 0.00 WT1 H ATOM 24402 H2 TIP3 8381 84.379 61.280 -17.313 1.00 0.00 WT1 H ATOM 24403 OH2 TIP3 8382 46.688 87.930 8.416 1.00 0.00 WT1 O ATOM 24404 H1 TIP3 8382 46.860 87.632 9.310 1.00 0.00 WT1 H ATOM 24405 H2 TIP3 8382 46.836 87.155 7.873 1.00 0.00 WT1 H ATOM 24406 OH2 TIP3 8383 82.148 6.348 45.452 1.00 0.00 WT1 O ATOM 24407 H1 TIP3 8383 81.284 6.007 45.219 1.00 0.00 WT1 H ATOM 24408 H2 TIP3 8383 82.760 5.828 44.931 1.00 0.00 WT1 H ATOM 24409 OH2 TIP3 8384 71.805 81.925 23.417 1.00 0.00 WT1 O ATOM 24410 H1 TIP3 8384 71.031 81.526 23.019 1.00 0.00 WT1 H ATOM 24411 H2 TIP3 8384 72.389 82.105 22.681 1.00 0.00 WT1 H ATOM 24412 OH2 TIP3 8385 25.366 2.564 44.515 1.00 0.00 WT1 O ATOM 24413 H1 TIP3 8385 24.826 2.906 45.227 1.00 0.00 WT1 H ATOM 24414 H2 TIP3 8385 26.149 3.115 44.521 1.00 0.00 WT1 H ATOM 24415 OH2 TIP3 8386 22.000 79.787 26.291 1.00 0.00 WT1 O ATOM 24416 H1 TIP3 8386 22.953 79.869 26.260 1.00 0.00 WT1 H ATOM 24417 H2 TIP3 8386 21.844 79.007 26.825 1.00 0.00 WT1 H ATOM 24418 OH2 TIP3 8387 22.757 83.572 -14.977 1.00 0.00 WT1 O ATOM 24419 H1 TIP3 8387 23.470 83.379 -15.585 1.00 0.00 WT1 H ATOM 24420 H2 TIP3 8387 22.922 83.003 -14.225 1.00 0.00 WT1 H ATOM 24421 OH2 TIP3 8388 53.694 23.731 3.810 1.00 0.00 WT1 O ATOM 24422 H1 TIP3 8388 53.503 22.874 4.192 1.00 0.00 WT1 H ATOM 24423 H2 TIP3 8388 54.242 24.168 4.463 1.00 0.00 WT1 H ATOM 24424 OH2 TIP3 8389 30.607 89.884 38.577 1.00 0.00 WT1 O ATOM 24425 H1 TIP3 8389 30.527 88.933 38.647 1.00 0.00 WT1 H ATOM 24426 H2 TIP3 8389 30.040 90.225 39.269 1.00 0.00 WT1 H ATOM 24427 OH2 TIP3 8390 51.259 69.456 63.351 1.00 0.00 WT1 O ATOM 24428 H1 TIP3 8390 50.513 69.510 63.948 1.00 0.00 WT1 H ATOM 24429 H2 TIP3 8390 51.336 70.336 62.982 1.00 0.00 WT1 H ATOM 24430 OH2 TIP3 8391 47.194 13.729 38.956 1.00 0.00 WT1 O ATOM 24431 H1 TIP3 8391 46.987 13.664 38.024 1.00 0.00 WT1 H ATOM 24432 H2 TIP3 8391 46.570 14.372 39.296 1.00 0.00 WT1 H ATOM 24433 OH2 TIP3 8392 72.549 6.771 11.199 1.00 0.00 WT1 O ATOM 24434 H1 TIP3 8392 72.695 7.307 10.419 1.00 0.00 WT1 H ATOM 24435 H2 TIP3 8392 73.236 6.105 11.165 1.00 0.00 WT1 H ATOM 24436 OH2 TIP3 8393 72.266 28.439 51.492 1.00 0.00 WT1 O ATOM 24437 H1 TIP3 8393 72.201 28.908 52.324 1.00 0.00 WT1 H ATOM 24438 H2 TIP3 8393 71.873 29.031 50.851 1.00 0.00 WT1 H ATOM 24439 OH2 TIP3 8394 29.796 63.395 20.138 1.00 0.00 WT1 O ATOM 24440 H1 TIP3 8394 30.634 63.857 20.133 1.00 0.00 WT1 H ATOM 24441 H2 TIP3 8394 29.394 63.619 19.299 1.00 0.00 WT1 H ATOM 24442 OH2 TIP3 8396 65.966 89.583 6.348 1.00 0.00 WT1 O ATOM 24443 H1 TIP3 8396 65.230 88.981 6.238 1.00 0.00 WT1 H ATOM 24444 H2 TIP3 8396 65.875 90.207 5.628 1.00 0.00 WT1 H ATOM 24445 OH2 TIP3 8397 85.517 86.901 49.732 1.00 0.00 WT1 O ATOM 24446 H1 TIP3 8397 85.353 86.774 48.798 1.00 0.00 WT1 H ATOM 24447 H2 TIP3 8397 84.747 86.530 50.163 1.00 0.00 WT1 H ATOM 24448 OH2 TIP3 8398 44.923 54.048 39.965 1.00 0.00 WT1 O ATOM 24449 H1 TIP3 8398 45.142 53.600 39.147 1.00 0.00 WT1 H ATOM 24450 H2 TIP3 8398 45.544 54.774 40.015 1.00 0.00 WT1 H ATOM 24451 OH2 TIP3 8399 55.682 85.329 36.533 1.00 0.00 WT1 O ATOM 24452 H1 TIP3 8399 56.436 84.941 36.976 1.00 0.00 WT1 H ATOM 24453 H2 TIP3 8399 55.478 84.716 35.826 1.00 0.00 WT1 H ATOM 24454 OH2 TIP3 8400 56.350 12.338 16.341 1.00 0.00 WT1 O ATOM 24455 H1 TIP3 8400 56.896 11.964 17.033 1.00 0.00 WT1 H ATOM 24456 H2 TIP3 8400 56.443 13.285 16.447 1.00 0.00 WT1 H ATOM 24457 OH2 TIP3 8401 90.366 50.625 55.164 1.00 0.00 WT1 O ATOM 24458 H1 TIP3 8401 90.054 49.923 55.735 1.00 0.00 WT1 H ATOM 24459 H2 TIP3 8401 91.313 50.494 55.118 1.00 0.00 WT1 H ATOM 24460 OH2 TIP3 8402 41.282 88.356 63.377 1.00 0.00 WT1 O ATOM 24461 H1 TIP3 8402 41.348 87.419 63.559 1.00 0.00 WT1 H ATOM 24462 H2 TIP3 8402 41.559 88.444 62.465 1.00 0.00 WT1 H ATOM 24463 OH2 TIP3 8403 58.773 33.911 -12.115 1.00 0.00 WT1 O ATOM 24464 H1 TIP3 8403 58.063 34.478 -12.414 1.00 0.00 WT1 H ATOM 24465 H2 TIP3 8403 58.497 33.618 -11.246 1.00 0.00 WT1 H ATOM 24466 OH2 TIP3 8404 81.539 51.243 37.809 1.00 0.00 WT1 O ATOM 24467 H1 TIP3 8404 81.680 51.425 36.880 1.00 0.00 WT1 H ATOM 24468 H2 TIP3 8404 80.692 51.644 38.007 1.00 0.00 WT1 H ATOM 24469 OH2 TIP3 8405 29.855 20.815 36.663 1.00 0.00 WT1 O ATOM 24470 H1 TIP3 8405 29.454 19.997 36.368 1.00 0.00 WT1 H ATOM 24471 H2 TIP3 8405 29.612 21.456 35.995 1.00 0.00 WT1 H ATOM 24472 OH2 TIP3 8406 78.869 15.014 0.784 1.00 0.00 WT1 O ATOM 24473 H1 TIP3 8406 79.213 14.124 0.856 1.00 0.00 WT1 H ATOM 24474 H2 TIP3 8406 79.644 15.575 0.809 1.00 0.00 WT1 H ATOM 24475 OH2 TIP3 8407 35.403 83.424 1.234 1.00 0.00 WT1 O ATOM 24476 H1 TIP3 8407 35.311 84.348 1.468 1.00 0.00 WT1 H ATOM 24477 H2 TIP3 8407 34.741 83.280 0.559 1.00 0.00 WT1 H ATOM 24478 OH2 TIP3 8408 28.392 31.492 -6.386 1.00 0.00 WT1 O ATOM 24479 H1 TIP3 8408 28.021 31.303 -7.248 1.00 0.00 WT1 H ATOM 24480 H2 TIP3 8408 28.921 32.279 -6.519 1.00 0.00 WT1 H ATOM 24481 OH2 TIP3 8409 29.312 6.506 17.175 1.00 0.00 WT1 O ATOM 24482 H1 TIP3 8409 30.140 6.983 17.236 1.00 0.00 WT1 H ATOM 24483 H2 TIP3 8409 29.057 6.350 18.084 1.00 0.00 WT1 H ATOM 24484 OH2 TIP3 8410 26.231 70.987 -3.011 1.00 0.00 WT1 O ATOM 24485 H1 TIP3 8410 27.050 71.019 -2.516 1.00 0.00 WT1 H ATOM 24486 H2 TIP3 8410 25.752 70.249 -2.635 1.00 0.00 WT1 H ATOM 24487 OH2 TIP3 8411 86.614 8.839 54.453 1.00 0.00 WT1 O ATOM 24488 H1 TIP3 8411 85.663 8.953 54.462 1.00 0.00 WT1 H ATOM 24489 H2 TIP3 8411 86.743 7.915 54.243 1.00 0.00 WT1 H ATOM 24490 OH2 TIP3 8412 25.953 4.638 62.455 1.00 0.00 WT1 O ATOM 24491 H1 TIP3 8412 26.899 4.521 62.547 1.00 0.00 WT1 H ATOM 24492 H2 TIP3 8412 25.857 5.492 62.032 1.00 0.00 WT1 H ATOM 24493 OH2 TIP3 8413 68.719 74.607 16.495 1.00 0.00 WT1 O ATOM 24494 H1 TIP3 8413 68.259 74.132 15.802 1.00 0.00 WT1 H ATOM 24495 H2 TIP3 8413 68.041 74.801 17.142 1.00 0.00 WT1 H ATOM 24496 OH2 TIP3 8414 59.968 15.320 0.370 1.00 0.00 WT1 O ATOM 24497 H1 TIP3 8414 60.734 15.856 0.165 1.00 0.00 WT1 H ATOM 24498 H2 TIP3 8414 59.240 15.764 -0.066 1.00 0.00 WT1 H ATOM 24499 OH2 TIP3 8415 54.959 77.592 55.209 1.00 0.00 WT1 O ATOM 24500 H1 TIP3 8415 54.340 78.242 54.877 1.00 0.00 WT1 H ATOM 24501 H2 TIP3 8415 54.417 76.973 55.699 1.00 0.00 WT1 H ATOM 24502 OH2 TIP3 8416 78.047 26.411 25.216 1.00 0.00 WT1 O ATOM 24503 H1 TIP3 8416 78.391 25.765 25.833 1.00 0.00 WT1 H ATOM 24504 H2 TIP3 8416 78.796 26.973 25.016 1.00 0.00 WT1 H ATOM 24505 OH2 TIP3 8417 22.319 3.879 10.498 1.00 0.00 WT1 O ATOM 24506 H1 TIP3 8417 22.503 3.224 11.172 1.00 0.00 WT1 H ATOM 24507 H2 TIP3 8417 21.397 4.102 10.626 1.00 0.00 WT1 H ATOM 24508 OH2 TIP3 8418 81.924 88.639 13.836 1.00 0.00 WT1 O ATOM 24509 H1 TIP3 8418 81.570 88.935 14.674 1.00 0.00 WT1 H ATOM 24510 H2 TIP3 8418 82.792 88.299 14.048 1.00 0.00 WT1 H ATOM 24511 OH2 TIP3 8419 83.946 16.986 -19.748 1.00 0.00 WT1 O ATOM 24512 H1 TIP3 8419 84.570 17.198 -19.054 1.00 0.00 WT1 H ATOM 24513 H2 TIP3 8419 83.551 16.159 -19.472 1.00 0.00 WT1 H ATOM 24514 OH2 TIP3 8420 59.978 37.868 39.524 1.00 0.00 WT1 O ATOM 24515 H1 TIP3 8420 59.225 38.441 39.381 1.00 0.00 WT1 H ATOM 24516 H2 TIP3 8420 59.870 37.165 38.884 1.00 0.00 WT1 H ATOM 24517 OH2 TIP3 8422 72.703 94.612 44.197 1.00 0.00 WT1 O ATOM 24518 H1 TIP3 8422 72.340 93.747 44.385 1.00 0.00 WT1 H ATOM 24519 H2 TIP3 8422 73.146 94.508 43.355 1.00 0.00 WT1 H ATOM 24520 OH2 TIP3 8423 55.847 67.810 46.447 1.00 0.00 WT1 O ATOM 24521 H1 TIP3 8423 55.512 66.922 46.320 1.00 0.00 WT1 H ATOM 24522 H2 TIP3 8423 55.676 68.251 45.615 1.00 0.00 WT1 H ATOM 24523 OH2 TIP3 8424 61.107 30.742 41.411 1.00 0.00 WT1 O ATOM 24524 H1 TIP3 8424 60.554 31.523 41.388 1.00 0.00 WT1 H ATOM 24525 H2 TIP3 8424 61.598 30.771 40.590 1.00 0.00 WT1 H ATOM 24526 OH2 TIP3 8425 51.910 71.804 -18.308 1.00 0.00 WT1 O ATOM 24527 H1 TIP3 8425 52.469 72.379 -17.787 1.00 0.00 WT1 H ATOM 24528 H2 TIP3 8425 51.737 71.055 -17.737 1.00 0.00 WT1 H ATOM 24529 OH2 TIP3 8426 26.444 50.711 18.784 1.00 0.00 WT1 O ATOM 24530 H1 TIP3 8426 27.225 50.933 18.277 1.00 0.00 WT1 H ATOM 24531 H2 TIP3 8426 25.713 50.959 18.218 1.00 0.00 WT1 H ATOM 24532 OH2 TIP3 8427 70.615 42.066 -17.956 1.00 0.00 WT1 O ATOM 24533 H1 TIP3 8427 69.766 42.453 -17.743 1.00 0.00 WT1 H ATOM 24534 H2 TIP3 8427 70.854 42.458 -18.796 1.00 0.00 WT1 H ATOM 24535 OH2 TIP3 8428 68.139 45.743 9.973 1.00 0.00 WT1 O ATOM 24536 H1 TIP3 8428 67.290 45.598 10.392 1.00 0.00 WT1 H ATOM 24537 H2 TIP3 8428 68.194 45.064 9.301 1.00 0.00 WT1 H ATOM 24538 OH2 TIP3 8429 80.645 19.949 -2.576 1.00 0.00 WT1 O ATOM 24539 H1 TIP3 8429 81.232 20.258 -3.265 1.00 0.00 WT1 H ATOM 24540 H2 TIP3 8429 81.214 19.810 -1.819 1.00 0.00 WT1 H ATOM 24541 OH2 TIP3 8430 50.373 36.940 0.796 1.00 0.00 WT1 O ATOM 24542 H1 TIP3 8430 49.999 37.403 1.546 1.00 0.00 WT1 H ATOM 24543 H2 TIP3 8430 50.596 37.632 0.174 1.00 0.00 WT1 H ATOM 24544 OH2 TIP3 8431 65.777 74.433 -6.063 1.00 0.00 WT1 O ATOM 24545 H1 TIP3 8431 65.295 74.381 -5.237 1.00 0.00 WT1 H ATOM 24546 H2 TIP3 8431 66.382 73.692 -6.034 1.00 0.00 WT1 H ATOM 24547 OH2 TIP3 8432 35.129 2.890 8.844 1.00 0.00 WT1 O ATOM 24548 H1 TIP3 8432 34.212 2.612 8.841 1.00 0.00 WT1 H ATOM 24549 H2 TIP3 8432 35.256 3.290 9.704 1.00 0.00 WT1 H ATOM 24550 OH2 TIP3 8433 40.665 25.256 23.458 1.00 0.00 WT1 O ATOM 24551 H1 TIP3 8433 40.288 24.536 22.953 1.00 0.00 WT1 H ATOM 24552 H2 TIP3 8433 41.505 24.919 23.767 1.00 0.00 WT1 H ATOM 24553 OH2 TIP3 8434 44.385 9.213 20.094 1.00 0.00 WT1 O ATOM 24554 H1 TIP3 8434 44.110 8.841 20.932 1.00 0.00 WT1 H ATOM 24555 H2 TIP3 8434 44.388 10.159 20.242 1.00 0.00 WT1 H ATOM 24556 OH2 TIP3 8435 56.134 23.378 -19.264 1.00 0.00 WT1 O ATOM 24557 H1 TIP3 8435 56.876 23.745 -19.745 1.00 0.00 WT1 H ATOM 24558 H2 TIP3 8435 55.433 23.320 -19.913 1.00 0.00 WT1 H ATOM 24559 OH2 TIP3 8436 39.769 12.739 8.619 1.00 0.00 WT1 O ATOM 24560 H1 TIP3 8436 39.502 13.168 7.806 1.00 0.00 WT1 H ATOM 24561 H2 TIP3 8436 38.996 12.247 8.896 1.00 0.00 WT1 H ATOM 24562 OH2 TIP3 8437 23.609 10.689 33.142 1.00 0.00 WT1 O ATOM 24563 H1 TIP3 8437 24.135 11.489 33.153 1.00 0.00 WT1 H ATOM 24564 H2 TIP3 8437 23.391 10.559 32.219 1.00 0.00 WT1 H ATOM 24565 OH2 TIP3 8438 58.846 36.685 52.031 1.00 0.00 WT1 O ATOM 24566 H1 TIP3 8438 58.530 36.694 51.127 1.00 0.00 WT1 H ATOM 24567 H2 TIP3 8438 58.605 37.543 52.378 1.00 0.00 WT1 H ATOM 24568 OH2 TIP3 8439 62.512 23.833 53.968 1.00 0.00 WT1 O ATOM 24569 H1 TIP3 8439 62.255 23.136 53.365 1.00 0.00 WT1 H ATOM 24570 H2 TIP3 8439 62.499 24.629 53.436 1.00 0.00 WT1 H ATOM 24571 OH2 TIP3 8441 74.131 31.056 54.844 1.00 0.00 WT1 O ATOM 24572 H1 TIP3 8441 74.979 30.676 55.075 1.00 0.00 WT1 H ATOM 24573 H2 TIP3 8441 74.135 31.087 53.887 1.00 0.00 WT1 H ATOM 24574 OH2 TIP3 8442 76.976 83.148 67.001 1.00 0.00 WT1 O ATOM 24575 H1 TIP3 8442 76.390 82.394 66.926 1.00 0.00 WT1 H ATOM 24576 H2 TIP3 8442 77.629 82.880 67.648 1.00 0.00 WT1 H ATOM 24577 OH2 TIP3 8443 64.816 50.804 23.773 1.00 0.00 WT1 O ATOM 24578 H1 TIP3 8443 64.581 50.667 22.855 1.00 0.00 WT1 H ATOM 24579 H2 TIP3 8443 64.221 51.492 24.072 1.00 0.00 WT1 H ATOM 24580 OH2 TIP3 8444 37.645 18.742 19.181 1.00 0.00 WT1 O ATOM 24581 H1 TIP3 8444 38.389 18.304 18.769 1.00 0.00 WT1 H ATOM 24582 H2 TIP3 8444 36.881 18.413 18.708 1.00 0.00 WT1 H ATOM 24583 OH2 TIP3 8445 20.617 41.107 20.024 1.00 0.00 WT1 O ATOM 24584 H1 TIP3 8445 21.117 41.136 20.840 1.00 0.00 WT1 H ATOM 24585 H2 TIP3 8445 20.788 40.235 19.669 1.00 0.00 WT1 H ATOM 24586 OH2 TIP3 8446 58.297 11.552 18.220 1.00 0.00 WT1 O ATOM 24587 H1 TIP3 8446 59.158 11.455 17.812 1.00 0.00 WT1 H ATOM 24588 H2 TIP3 8446 58.339 12.397 18.668 1.00 0.00 WT1 H ATOM 24589 OH2 TIP3 8448 25.641 42.777 -0.960 1.00 0.00 WT1 O ATOM 24590 H1 TIP3 8448 25.106 43.112 -1.680 1.00 0.00 WT1 H ATOM 24591 H2 TIP3 8448 25.150 43.006 -0.170 1.00 0.00 WT1 H ATOM 24592 OH2 TIP3 8450 87.134 81.837 -4.007 1.00 0.00 WT1 O ATOM 24593 H1 TIP3 8450 86.723 81.031 -3.695 1.00 0.00 WT1 H ATOM 24594 H2 TIP3 8450 87.706 82.109 -3.289 1.00 0.00 WT1 H ATOM 24595 OH2 TIP3 8451 30.075 89.070 60.329 1.00 0.00 WT1 O ATOM 24596 H1 TIP3 8451 29.602 89.902 60.296 1.00 0.00 WT1 H ATOM 24597 H2 TIP3 8451 29.953 88.690 59.459 1.00 0.00 WT1 H ATOM 24598 OH2 TIP3 8453 26.452 3.940 4.621 1.00 0.00 WT1 O ATOM 24599 H1 TIP3 8453 26.385 3.031 4.328 1.00 0.00 WT1 H ATOM 24600 H2 TIP3 8453 26.463 3.883 5.576 1.00 0.00 WT1 H ATOM 24601 OH2 TIP3 8454 84.668 17.364 7.059 1.00 0.00 WT1 O ATOM 24602 H1 TIP3 8454 85.340 17.354 7.741 1.00 0.00 WT1 H ATOM 24603 H2 TIP3 8454 84.112 18.111 7.281 1.00 0.00 WT1 H ATOM 24604 OH2 TIP3 8455 29.567 45.171 28.254 1.00 0.00 WT1 O ATOM 24605 H1 TIP3 8455 30.276 44.973 27.642 1.00 0.00 WT1 H ATOM 24606 H2 TIP3 8455 28.774 45.149 27.718 1.00 0.00 WT1 H ATOM 24607 OH2 TIP3 8456 43.572 3.417 16.939 1.00 0.00 WT1 O ATOM 24608 H1 TIP3 8456 43.809 2.622 17.416 1.00 0.00 WT1 H ATOM 24609 H2 TIP3 8456 42.669 3.268 16.658 1.00 0.00 WT1 H ATOM 24610 OH2 TIP3 8457 82.377 10.560 -5.552 1.00 0.00 WT1 O ATOM 24611 H1 TIP3 8457 83.319 10.392 -5.507 1.00 0.00 WT1 H ATOM 24612 H2 TIP3 8457 82.277 11.456 -5.233 1.00 0.00 WT1 H ATOM 24613 OH2 TIP3 8458 34.780 79.283 55.303 1.00 0.00 WT1 O ATOM 24614 H1 TIP3 8458 35.582 78.777 55.433 1.00 0.00 WT1 H ATOM 24615 H2 TIP3 8458 35.009 79.929 54.636 1.00 0.00 WT1 H ATOM 24616 OH2 TIP3 8459 60.426 82.810 5.310 1.00 0.00 WT1 O ATOM 24617 H1 TIP3 8459 60.491 81.970 5.764 1.00 0.00 WT1 H ATOM 24618 H2 TIP3 8459 59.590 82.768 4.845 1.00 0.00 WT1 H ATOM 24619 OH2 TIP3 8460 43.597 61.929 43.552 1.00 0.00 WT1 O ATOM 24620 H1 TIP3 8460 43.703 62.325 42.687 1.00 0.00 WT1 H ATOM 24621 H2 TIP3 8460 44.489 61.846 43.890 1.00 0.00 WT1 H ATOM 24622 OH2 TIP3 8461 50.215 94.184 67.188 1.00 0.00 WT1 O ATOM 24623 H1 TIP3 8461 50.836 94.774 67.616 1.00 0.00 WT1 H ATOM 24624 H2 TIP3 8461 50.305 94.378 66.255 1.00 0.00 WT1 H ATOM 24625 OH2 TIP3 8462 24.620 14.640 58.862 1.00 0.00 WT1 O ATOM 24626 H1 TIP3 8462 24.678 14.513 57.914 1.00 0.00 WT1 H ATOM 24627 H2 TIP3 8462 25.440 14.281 59.202 1.00 0.00 WT1 H ATOM 24628 OH2 TIP3 8463 71.354 19.441 34.337 1.00 0.00 WT1 O ATOM 24629 H1 TIP3 8463 72.001 20.022 33.936 1.00 0.00 WT1 H ATOM 24630 H2 TIP3 8463 71.765 19.149 35.150 1.00 0.00 WT1 H ATOM 24631 OH2 TIP3 8464 43.148 84.690 40.558 1.00 0.00 WT1 O ATOM 24632 H1 TIP3 8464 42.307 84.258 40.411 1.00 0.00 WT1 H ATOM 24633 H2 TIP3 8464 43.452 84.345 41.398 1.00 0.00 WT1 H ATOM 24634 OH2 TIP3 8465 68.276 27.990 -6.512 1.00 0.00 WT1 O ATOM 24635 H1 TIP3 8465 67.661 27.285 -6.713 1.00 0.00 WT1 H ATOM 24636 H2 TIP3 8465 67.741 28.784 -6.516 1.00 0.00 WT1 H ATOM 24637 OH2 TIP3 8466 85.422 91.811 55.169 1.00 0.00 WT1 O ATOM 24638 H1 TIP3 8466 84.556 92.131 55.423 1.00 0.00 WT1 H ATOM 24639 H2 TIP3 8466 85.299 91.461 54.287 1.00 0.00 WT1 H ATOM 24640 OH2 TIP3 8467 42.847 8.025 -18.240 1.00 0.00 WT1 O ATOM 24641 H1 TIP3 8467 41.998 8.444 -18.378 1.00 0.00 WT1 H ATOM 24642 H2 TIP3 8467 43.397 8.713 -17.865 1.00 0.00 WT1 H ATOM 24643 OH2 TIP3 8468 28.476 30.658 62.009 1.00 0.00 WT1 O ATOM 24644 H1 TIP3 8468 29.429 30.697 61.935 1.00 0.00 WT1 H ATOM 24645 H2 TIP3 8468 28.185 31.555 61.841 1.00 0.00 WT1 H ATOM 24646 OH2 TIP3 8469 64.103 22.794 30.020 1.00 0.00 WT1 O ATOM 24647 H1 TIP3 8469 64.478 23.045 30.864 1.00 0.00 WT1 H ATOM 24648 H2 TIP3 8469 64.858 22.556 29.482 1.00 0.00 WT1 H ATOM 24649 OH2 TIP3 8470 20.540 43.116 -9.528 1.00 0.00 WT1 O ATOM 24650 H1 TIP3 8470 21.345 43.207 -9.017 1.00 0.00 WT1 H ATOM 24651 H2 TIP3 8470 20.241 44.015 -9.665 1.00 0.00 WT1 H ATOM 24652 OH2 TIP3 8471 24.960 37.592 11.097 1.00 0.00 WT1 O ATOM 24653 H1 TIP3 8471 24.698 38.501 10.950 1.00 0.00 WT1 H ATOM 24654 H2 TIP3 8471 25.795 37.654 11.560 1.00 0.00 WT1 H ATOM 24655 OH2 TIP3 8472 29.053 23.428 -4.197 1.00 0.00 WT1 O ATOM 24656 H1 TIP3 8472 29.136 24.368 -4.035 1.00 0.00 WT1 H ATOM 24657 H2 TIP3 8472 28.754 23.067 -3.363 1.00 0.00 WT1 H ATOM 24658 OH2 TIP3 8473 77.038 33.972 29.892 1.00 0.00 WT1 O ATOM 24659 H1 TIP3 8473 76.848 33.407 29.143 1.00 0.00 WT1 H ATOM 24660 H2 TIP3 8473 77.992 33.951 29.973 1.00 0.00 WT1 H ATOM 24661 OH2 TIP3 8474 32.539 30.848 33.817 1.00 0.00 WT1 O ATOM 24662 H1 TIP3 8474 32.062 31.548 33.371 1.00 0.00 WT1 H ATOM 24663 H2 TIP3 8474 33.327 30.721 33.290 1.00 0.00 WT1 H ATOM 24664 OH2 TIP3 8475 38.112 41.116 0.519 1.00 0.00 WT1 O ATOM 24665 H1 TIP3 8475 38.085 41.286 -0.423 1.00 0.00 WT1 H ATOM 24666 H2 TIP3 8475 38.250 40.171 0.588 1.00 0.00 WT1 H ATOM 24667 OH2 TIP3 8476 26.880 28.228 23.990 1.00 0.00 WT1 O ATOM 24668 H1 TIP3 8476 26.490 28.559 23.181 1.00 0.00 WT1 H ATOM 24669 H2 TIP3 8476 26.291 28.530 24.682 1.00 0.00 WT1 H ATOM 24670 OH2 TIP3 8477 26.733 10.938 65.063 1.00 0.00 WT1 O ATOM 24671 H1 TIP3 8477 27.515 10.543 64.677 1.00 0.00 WT1 H ATOM 24672 H2 TIP3 8477 26.213 11.224 64.312 1.00 0.00 WT1 H ATOM 24673 OH2 TIP3 8478 79.432 77.105 43.989 1.00 0.00 WT1 O ATOM 24674 H1 TIP3 8478 80.005 76.641 44.599 1.00 0.00 WT1 H ATOM 24675 H2 TIP3 8478 79.151 76.434 43.367 1.00 0.00 WT1 H ATOM 24676 OH2 TIP3 8479 36.669 15.608 19.900 1.00 0.00 WT1 O ATOM 24677 H1 TIP3 8479 37.142 15.012 19.319 1.00 0.00 WT1 H ATOM 24678 H2 TIP3 8479 35.882 15.847 19.410 1.00 0.00 WT1 H ATOM 24679 OH2 TIP3 8480 89.139 36.940 58.125 1.00 0.00 WT1 O ATOM 24680 H1 TIP3 8480 89.657 36.478 57.467 1.00 0.00 WT1 H ATOM 24681 H2 TIP3 8480 89.213 36.399 58.912 1.00 0.00 WT1 H ATOM 24682 OH2 TIP3 8481 28.182 11.407 28.557 1.00 0.00 WT1 O ATOM 24683 H1 TIP3 8481 28.872 11.905 28.119 1.00 0.00 WT1 H ATOM 24684 H2 TIP3 8481 28.498 11.295 29.454 1.00 0.00 WT1 H ATOM 24685 OH2 TIP3 8482 36.848 7.930 27.404 1.00 0.00 WT1 O ATOM 24686 H1 TIP3 8482 37.107 7.982 28.324 1.00 0.00 WT1 H ATOM 24687 H2 TIP3 8482 36.518 8.804 27.198 1.00 0.00 WT1 H ATOM 24688 OH2 TIP3 8483 78.333 91.297 26.194 1.00 0.00 WT1 O ATOM 24689 H1 TIP3 8483 77.626 91.938 26.277 1.00 0.00 WT1 H ATOM 24690 H2 TIP3 8483 79.117 91.824 26.042 1.00 0.00 WT1 H ATOM 24691 OH2 TIP3 8484 75.003 22.065 44.419 1.00 0.00 WT1 O ATOM 24692 H1 TIP3 8484 75.506 22.393 43.674 1.00 0.00 WT1 H ATOM 24693 H2 TIP3 8484 74.207 21.703 44.030 1.00 0.00 WT1 H ATOM 24694 OH2 TIP3 8485 71.304 26.929 8.406 1.00 0.00 WT1 O ATOM 24695 H1 TIP3 8485 72.038 27.543 8.398 1.00 0.00 WT1 H ATOM 24696 H2 TIP3 8485 70.858 27.078 7.572 1.00 0.00 WT1 H ATOM 24697 OH2 TIP3 8486 26.034 13.600 -8.485 1.00 0.00 WT1 O ATOM 24698 H1 TIP3 8486 26.147 14.194 -7.744 1.00 0.00 WT1 H ATOM 24699 H2 TIP3 8486 26.627 12.871 -8.302 1.00 0.00 WT1 H ATOM 24700 OH2 TIP3 8487 72.475 39.363 32.363 1.00 0.00 WT1 O ATOM 24701 H1 TIP3 8487 71.583 39.643 32.159 1.00 0.00 WT1 H ATOM 24702 H2 TIP3 8487 72.931 39.383 31.521 1.00 0.00 WT1 H ATOM 24703 OH2 TIP3 8488 35.403 58.098 44.832 1.00 0.00 WT1 O ATOM 24704 H1 TIP3 8488 35.047 57.436 44.239 1.00 0.00 WT1 H ATOM 24705 H2 TIP3 8488 36.337 58.129 44.623 1.00 0.00 WT1 H ATOM 24706 OH2 TIP3 8489 33.193 24.417 3.331 1.00 0.00 WT1 O ATOM 24707 H1 TIP3 8489 33.668 23.594 3.221 1.00 0.00 WT1 H ATOM 24708 H2 TIP3 8489 32.665 24.286 4.118 1.00 0.00 WT1 H ATOM 24709 OH2 TIP3 8490 66.067 12.467 -11.823 1.00 0.00 WT1 O ATOM 24710 H1 TIP3 8490 66.057 11.632 -11.355 1.00 0.00 WT1 H ATOM 24711 H2 TIP3 8490 66.313 13.111 -11.160 1.00 0.00 WT1 H ATOM 24712 OH2 TIP3 8491 23.193 96.104 13.403 1.00 0.00 WT1 O ATOM 24713 H1 TIP3 8491 22.690 95.479 12.882 1.00 0.00 WT1 H ATOM 24714 H2 TIP3 8491 23.585 95.576 14.099 1.00 0.00 WT1 H ATOM 24715 OH2 TIP3 8492 76.474 28.782 26.010 1.00 0.00 WT1 O ATOM 24716 H1 TIP3 8492 76.836 27.934 25.752 1.00 0.00 WT1 H ATOM 24717 H2 TIP3 8492 77.092 29.118 26.660 1.00 0.00 WT1 H ATOM 24718 OH2 TIP3 8493 33.246 55.616 -5.437 1.00 0.00 WT1 O ATOM 24719 H1 TIP3 8493 32.643 56.090 -4.864 1.00 0.00 WT1 H ATOM 24720 H2 TIP3 8493 34.069 55.587 -4.949 1.00 0.00 WT1 H ATOM 24721 OH2 TIP3 8494 57.176 12.353 21.557 1.00 0.00 WT1 O ATOM 24722 H1 TIP3 8494 57.116 13.159 21.045 1.00 0.00 WT1 H ATOM 24723 H2 TIP3 8494 56.614 12.508 22.317 1.00 0.00 WT1 H ATOM 24724 OH2 TIP3 8495 45.101 92.024 -9.795 1.00 0.00 WT1 O ATOM 24725 H1 TIP3 8495 45.599 91.264 -9.493 1.00 0.00 WT1 H ATOM 24726 H2 TIP3 8495 44.625 92.323 -9.020 1.00 0.00 WT1 H ATOM 24727 OH2 TIP3 8496 22.823 8.979 59.639 1.00 0.00 WT1 O ATOM 24728 H1 TIP3 8496 22.119 8.916 58.993 1.00 0.00 WT1 H ATOM 24729 H2 TIP3 8496 23.415 9.642 59.284 1.00 0.00 WT1 H ATOM 24730 OH2 TIP3 8497 21.686 58.275 -0.575 1.00 0.00 WT1 O ATOM 24731 H1 TIP3 8497 22.611 58.430 -0.382 1.00 0.00 WT1 H ATOM 24732 H2 TIP3 8497 21.621 58.364 -1.526 1.00 0.00 WT1 H ATOM 24733 OH2 TIP3 8498 53.475 68.632 -5.668 1.00 0.00 WT1 O ATOM 24734 H1 TIP3 8498 54.328 68.814 -5.274 1.00 0.00 WT1 H ATOM 24735 H2 TIP3 8498 53.133 67.891 -5.169 1.00 0.00 WT1 H ATOM 24736 OH2 TIP3 8499 28.304 68.277 -3.186 1.00 0.00 WT1 O ATOM 24737 H1 TIP3 8499 27.446 67.874 -3.052 1.00 0.00 WT1 H ATOM 24738 H2 TIP3 8499 28.384 68.912 -2.474 1.00 0.00 WT1 H ATOM 24739 OH2 TIP3 8501 54.174 44.915 58.191 1.00 0.00 WT1 O ATOM 24740 H1 TIP3 8501 55.121 44.956 58.058 1.00 0.00 WT1 H ATOM 24741 H2 TIP3 8501 54.068 44.822 59.138 1.00 0.00 WT1 H ATOM 24742 OH2 TIP3 8502 31.811 20.827 45.950 1.00 0.00 WT1 O ATOM 24743 H1 TIP3 8502 30.979 20.788 45.479 1.00 0.00 WT1 H ATOM 24744 H2 TIP3 8502 31.563 20.959 46.865 1.00 0.00 WT1 H ATOM 24745 OH2 TIP3 8503 38.897 27.808 13.094 1.00 0.00 WT1 O ATOM 24746 H1 TIP3 8503 39.140 27.764 14.018 1.00 0.00 WT1 H ATOM 24747 H2 TIP3 8503 39.730 27.887 12.630 1.00 0.00 WT1 H ATOM 24748 OH2 TIP3 8504 25.191 95.936 25.391 1.00 0.00 WT1 O ATOM 24749 H1 TIP3 8504 25.210 94.988 25.262 1.00 0.00 WT1 H ATOM 24750 H2 TIP3 8504 26.032 96.140 25.800 1.00 0.00 WT1 H ATOM 24751 OH2 TIP3 8505 87.809 86.702 -0.107 1.00 0.00 WT1 O ATOM 24752 H1 TIP3 8505 87.402 87.380 0.433 1.00 0.00 WT1 H ATOM 24753 H2 TIP3 8505 88.197 86.095 0.523 1.00 0.00 WT1 H ATOM 24754 OH2 TIP3 8507 68.609 31.841 10.207 1.00 0.00 WT1 O ATOM 24755 H1 TIP3 8507 67.917 31.352 10.653 1.00 0.00 WT1 H ATOM 24756 H2 TIP3 8507 68.226 32.084 9.364 1.00 0.00 WT1 H ATOM 24757 OH2 TIP3 8508 82.656 21.477 50.607 1.00 0.00 WT1 O ATOM 24758 H1 TIP3 8508 81.827 21.078 50.340 1.00 0.00 WT1 H ATOM 24759 H2 TIP3 8508 83.285 20.756 50.588 1.00 0.00 WT1 H ATOM 24760 OH2 TIP3 8509 30.348 3.879 55.624 1.00 0.00 WT1 O ATOM 24761 H1 TIP3 8509 30.036 3.009 55.374 1.00 0.00 WT1 H ATOM 24762 H2 TIP3 8509 29.883 4.478 55.040 1.00 0.00 WT1 H ATOM 24763 OH2 TIP3 8510 49.383 24.401 35.116 1.00 0.00 WT1 O ATOM 24764 H1 TIP3 8510 49.002 23.867 34.418 1.00 0.00 WT1 H ATOM 24765 H2 TIP3 8510 49.125 25.297 34.899 1.00 0.00 WT1 H ATOM 24766 OH2 TIP3 8511 59.528 12.699 -1.931 1.00 0.00 WT1 O ATOM 24767 H1 TIP3 8511 60.030 12.258 -1.245 1.00 0.00 WT1 H ATOM 24768 H2 TIP3 8511 58.652 12.799 -1.560 1.00 0.00 WT1 H ATOM 24769 OH2 TIP3 8512 22.416 71.386 39.375 1.00 0.00 WT1 O ATOM 24770 H1 TIP3 8512 21.995 70.889 40.077 1.00 0.00 WT1 H ATOM 24771 H2 TIP3 8512 23.308 71.535 39.689 1.00 0.00 WT1 H ATOM 24772 OH2 TIP3 8513 62.584 77.699 20.068 1.00 0.00 WT1 O ATOM 24773 H1 TIP3 8513 63.541 77.708 20.080 1.00 0.00 WT1 H ATOM 24774 H2 TIP3 8513 62.344 76.914 20.561 1.00 0.00 WT1 H ATOM 24775 OH2 TIP3 8514 57.248 26.852 -0.322 1.00 0.00 WT1 O ATOM 24776 H1 TIP3 8514 58.175 27.083 -0.366 1.00 0.00 WT1 H ATOM 24777 H2 TIP3 8514 56.940 26.924 -1.226 1.00 0.00 WT1 H ATOM 24778 OH2 TIP3 8515 86.574 31.538 22.756 1.00 0.00 WT1 O ATOM 24779 H1 TIP3 8515 86.184 31.520 23.630 1.00 0.00 WT1 H ATOM 24780 H2 TIP3 8515 87.479 31.258 22.891 1.00 0.00 WT1 H ATOM 24781 OH2 TIP3 8516 81.669 71.151 16.289 1.00 0.00 WT1 O ATOM 24782 H1 TIP3 8516 80.881 70.791 16.696 1.00 0.00 WT1 H ATOM 24783 H2 TIP3 8516 81.769 72.017 16.683 1.00 0.00 WT1 H ATOM 24784 OH2 TIP3 8517 51.527 15.626 58.677 1.00 0.00 WT1 O ATOM 24785 H1 TIP3 8517 51.560 16.573 58.816 1.00 0.00 WT1 H ATOM 24786 H2 TIP3 8517 50.690 15.357 59.054 1.00 0.00 WT1 H ATOM 24787 OH2 TIP3 8518 76.572 25.082 38.558 1.00 0.00 WT1 O ATOM 24788 H1 TIP3 8518 75.917 25.752 38.755 1.00 0.00 WT1 H ATOM 24789 H2 TIP3 8518 76.851 25.275 37.663 1.00 0.00 WT1 H ATOM 24790 OH2 TIP3 8519 43.033 85.832 27.211 1.00 0.00 WT1 O ATOM 24791 H1 TIP3 8519 43.545 86.200 26.491 1.00 0.00 WT1 H ATOM 24792 H2 TIP3 8519 42.179 85.637 26.823 1.00 0.00 WT1 H ATOM 24793 OH2 TIP3 8520 72.643 48.068 10.341 1.00 0.00 WT1 O ATOM 24794 H1 TIP3 8520 71.698 48.223 10.333 1.00 0.00 WT1 H ATOM 24795 H2 TIP3 8520 72.815 47.684 11.201 1.00 0.00 WT1 H ATOM 24796 OH2 TIP3 8521 64.571 85.696 29.536 1.00 0.00 WT1 O ATOM 24797 H1 TIP3 8521 63.696 85.403 29.282 1.00 0.00 WT1 H ATOM 24798 H2 TIP3 8521 65.075 84.889 29.639 1.00 0.00 WT1 H ATOM 24799 OH2 TIP3 8522 55.397 94.247 62.630 1.00 0.00 WT1 O ATOM 24800 H1 TIP3 8522 55.872 94.341 61.804 1.00 0.00 WT1 H ATOM 24801 H2 TIP3 8522 56.074 94.038 63.274 1.00 0.00 WT1 H ATOM 24802 OH2 TIP3 8523 63.799 21.866 17.263 1.00 0.00 WT1 O ATOM 24803 H1 TIP3 8523 63.159 22.554 17.444 1.00 0.00 WT1 H ATOM 24804 H2 TIP3 8523 63.276 21.129 16.948 1.00 0.00 WT1 H ATOM 24805 OH2 TIP3 8524 47.147 79.257 11.257 1.00 0.00 WT1 O ATOM 24806 H1 TIP3 8524 46.894 78.477 11.752 1.00 0.00 WT1 H ATOM 24807 H2 TIP3 8524 47.646 78.917 10.514 1.00 0.00 WT1 H ATOM 24808 OH2 TIP3 8525 51.308 90.805 20.218 1.00 0.00 WT1 O ATOM 24809 H1 TIP3 8525 51.236 91.128 21.116 1.00 0.00 WT1 H ATOM 24810 H2 TIP3 8525 50.681 91.331 19.722 1.00 0.00 WT1 H ATOM 24811 OH2 TIP3 8526 72.699 12.938 -7.542 1.00 0.00 WT1 O ATOM 24812 H1 TIP3 8526 72.805 13.876 -7.382 1.00 0.00 WT1 H ATOM 24813 H2 TIP3 8526 73.201 12.772 -8.339 1.00 0.00 WT1 H ATOM 24814 OH2 TIP3 8527 59.970 4.930 52.659 1.00 0.00 WT1 O ATOM 24815 H1 TIP3 8527 59.974 4.873 51.703 1.00 0.00 WT1 H ATOM 24816 H2 TIP3 8527 60.710 4.389 52.935 1.00 0.00 WT1 H ATOM 24817 OH2 TIP3 8528 28.215 77.621 -2.281 1.00 0.00 WT1 O ATOM 24818 H1 TIP3 8528 28.818 77.233 -1.648 1.00 0.00 WT1 H ATOM 24819 H2 TIP3 8528 28.544 78.511 -2.413 1.00 0.00 WT1 H ATOM 24820 OH2 TIP3 8529 49.629 30.664 58.904 1.00 0.00 WT1 O ATOM 24821 H1 TIP3 8529 49.966 31.560 58.874 1.00 0.00 WT1 H ATOM 24822 H2 TIP3 8529 48.908 30.701 59.532 1.00 0.00 WT1 H ATOM 24823 OH2 TIP3 8530 84.237 19.412 47.760 1.00 0.00 WT1 O ATOM 24824 H1 TIP3 8530 84.711 19.801 47.025 1.00 0.00 WT1 H ATOM 24825 H2 TIP3 8530 84.830 19.504 48.505 1.00 0.00 WT1 H ATOM 24826 OH2 TIP3 8531 57.741 29.874 12.272 1.00 0.00 WT1 O ATOM 24827 H1 TIP3 8531 56.932 29.378 12.400 1.00 0.00 WT1 H ATOM 24828 H2 TIP3 8531 57.471 30.653 11.787 1.00 0.00 WT1 H ATOM 24829 OH2 TIP3 8532 21.445 40.926 22.698 1.00 0.00 WT1 O ATOM 24830 H1 TIP3 8532 22.385 41.091 22.630 1.00 0.00 WT1 H ATOM 24831 H2 TIP3 8532 21.061 41.788 22.855 1.00 0.00 WT1 H ATOM 24832 OH2 TIP3 8533 61.107 11.621 16.679 1.00 0.00 WT1 O ATOM 24833 H1 TIP3 8533 61.391 11.463 15.779 1.00 0.00 WT1 H ATOM 24834 H2 TIP3 8533 60.518 12.373 16.616 1.00 0.00 WT1 H ATOM 24835 OH2 TIP3 8534 80.188 30.092 44.473 1.00 0.00 WT1 O ATOM 24836 H1 TIP3 8534 80.177 30.879 45.020 1.00 0.00 WT1 H ATOM 24837 H2 TIP3 8534 80.412 30.411 43.599 1.00 0.00 WT1 H ATOM 24838 OH2 TIP3 8535 21.285 7.117 40.252 1.00 0.00 WT1 O ATOM 24839 H1 TIP3 8535 22.023 7.241 40.848 1.00 0.00 WT1 H ATOM 24840 H2 TIP3 8535 21.632 7.341 39.389 1.00 0.00 WT1 H ATOM 24841 OH2 TIP3 8536 29.641 37.051 18.845 1.00 0.00 WT1 O ATOM 24842 H1 TIP3 8536 28.713 36.953 18.633 1.00 0.00 WT1 H ATOM 24843 H2 TIP3 8536 29.915 36.180 19.133 1.00 0.00 WT1 H ATOM 24844 OH2 TIP3 8538 31.566 14.006 -4.074 1.00 0.00 WT1 O ATOM 24845 H1 TIP3 8538 31.792 13.076 -4.062 1.00 0.00 WT1 H ATOM 24846 H2 TIP3 8538 32.091 14.389 -3.371 1.00 0.00 WT1 H ATOM 24847 OH2 TIP3 8539 62.952 85.524 64.450 1.00 0.00 WT1 O ATOM 24848 H1 TIP3 8539 63.758 85.016 64.354 1.00 0.00 WT1 H ATOM 24849 H2 TIP3 8539 62.323 84.907 64.823 1.00 0.00 WT1 H ATOM 24850 OH2 TIP3 8540 22.765 47.311 59.673 1.00 0.00 WT1 O ATOM 24851 H1 TIP3 8540 22.097 47.995 59.627 1.00 0.00 WT1 H ATOM 24852 H2 TIP3 8540 22.919 47.188 60.609 1.00 0.00 WT1 H ATOM 24853 OH2 TIP3 8541 59.713 27.865 -0.607 1.00 0.00 WT1 O ATOM 24854 H1 TIP3 8541 60.270 27.379 -1.217 1.00 0.00 WT1 H ATOM 24855 H2 TIP3 8541 59.937 28.783 -0.757 1.00 0.00 WT1 H ATOM 24856 OH2 TIP3 8542 40.731 53.035 -7.428 1.00 0.00 WT1 O ATOM 24857 H1 TIP3 8542 40.027 53.410 -6.900 1.00 0.00 WT1 H ATOM 24858 H2 TIP3 8542 41.214 52.474 -6.820 1.00 0.00 WT1 H ATOM 24859 OH2 TIP3 8543 24.842 10.451 -11.586 1.00 0.00 WT1 O ATOM 24860 H1 TIP3 8543 24.325 9.653 -11.694 1.00 0.00 WT1 H ATOM 24861 H2 TIP3 8543 24.242 11.071 -11.170 1.00 0.00 WT1 H ATOM 24862 OH2 TIP3 8544 23.283 22.431 34.406 1.00 0.00 WT1 O ATOM 24863 H1 TIP3 8544 23.057 23.293 34.756 1.00 0.00 WT1 H ATOM 24864 H2 TIP3 8544 23.813 22.618 33.632 1.00 0.00 WT1 H ATOM 24865 OH2 TIP3 8545 68.302 75.300 -8.900 1.00 0.00 WT1 O ATOM 24866 H1 TIP3 8545 68.412 74.455 -8.464 1.00 0.00 WT1 H ATOM 24867 H2 TIP3 8545 68.529 75.130 -9.815 1.00 0.00 WT1 H ATOM 24868 OH2 TIP3 8546 38.955 8.423 7.763 1.00 0.00 WT1 O ATOM 24869 H1 TIP3 8546 38.018 8.553 7.910 1.00 0.00 WT1 H ATOM 24870 H2 TIP3 8546 39.204 9.128 7.165 1.00 0.00 WT1 H ATOM 24871 OH2 TIP3 8547 89.618 87.648 35.508 1.00 0.00 WT1 O ATOM 24872 H1 TIP3 8547 88.753 87.801 35.128 1.00 0.00 WT1 H ATOM 24873 H2 TIP3 8547 89.704 86.695 35.532 1.00 0.00 WT1 H ATOM 24874 OH2 TIP3 8548 54.820 22.498 39.245 1.00 0.00 WT1 O ATOM 24875 H1 TIP3 8548 54.706 21.709 39.774 1.00 0.00 WT1 H ATOM 24876 H2 TIP3 8548 55.717 22.439 38.916 1.00 0.00 WT1 H ATOM 24877 OH2 TIP3 8549 32.283 42.711 24.954 1.00 0.00 WT1 O ATOM 24878 H1 TIP3 8549 32.371 43.452 25.553 1.00 0.00 WT1 H ATOM 24879 H2 TIP3 8549 33.164 42.342 24.898 1.00 0.00 WT1 H ATOM 24880 OH2 TIP3 8550 47.290 0.825 -19.840 1.00 0.00 WT1 O ATOM 24881 H1 TIP3 8550 46.934 1.188 -19.029 1.00 0.00 WT1 H ATOM 24882 H2 TIP3 8550 48.161 1.215 -19.916 1.00 0.00 WT1 H ATOM 24883 OH2 TIP3 8551 51.079 21.469 -5.543 1.00 0.00 WT1 O ATOM 24884 H1 TIP3 8551 50.828 21.776 -6.414 1.00 0.00 WT1 H ATOM 24885 H2 TIP3 8551 51.853 21.986 -5.321 1.00 0.00 WT1 H ATOM 24886 OH2 TIP3 8552 35.486 91.390 7.319 1.00 0.00 WT1 O ATOM 24887 H1 TIP3 8552 35.286 90.520 7.665 1.00 0.00 WT1 H ATOM 24888 H2 TIP3 8552 35.314 91.984 8.049 1.00 0.00 WT1 H ATOM 24889 OH2 TIP3 8553 47.644 27.371 -3.098 1.00 0.00 WT1 O ATOM 24890 H1 TIP3 8553 47.644 27.190 -2.158 1.00 0.00 WT1 H ATOM 24891 H2 TIP3 8553 47.252 26.591 -3.492 1.00 0.00 WT1 H ATOM 24892 OH2 TIP3 8554 46.043 11.433 14.073 1.00 0.00 WT1 O ATOM 24893 H1 TIP3 8554 45.106 11.613 14.146 1.00 0.00 WT1 H ATOM 24894 H2 TIP3 8554 46.464 12.156 14.538 1.00 0.00 WT1 H ATOM 24895 OH2 TIP3 8555 29.623 80.795 33.739 1.00 0.00 WT1 O ATOM 24896 H1 TIP3 8555 29.994 80.384 32.958 1.00 0.00 WT1 H ATOM 24897 H2 TIP3 8555 28.676 80.764 33.599 1.00 0.00 WT1 H ATOM 24898 OH2 TIP3 8556 28.345 13.410 -2.546 1.00 0.00 WT1 O ATOM 24899 H1 TIP3 8556 29.295 13.528 -2.547 1.00 0.00 WT1 H ATOM 24900 H2 TIP3 8556 28.028 14.020 -1.880 1.00 0.00 WT1 H ATOM 24901 OH2 TIP3 8557 29.165 21.627 60.083 1.00 0.00 WT1 O ATOM 24902 H1 TIP3 8557 30.093 21.578 59.854 1.00 0.00 WT1 H ATOM 24903 H2 TIP3 8557 28.851 22.417 59.642 1.00 0.00 WT1 H ATOM 24904 OH2 TIP3 8558 74.177 71.891 7.757 1.00 0.00 WT1 O ATOM 24905 H1 TIP3 8558 74.394 70.999 8.031 1.00 0.00 WT1 H ATOM 24906 H2 TIP3 8558 73.458 71.782 7.134 1.00 0.00 WT1 H ATOM 24907 OH2 TIP3 8559 59.449 17.883 64.688 1.00 0.00 WT1 O ATOM 24908 H1 TIP3 8559 58.924 17.230 65.153 1.00 0.00 WT1 H ATOM 24909 H2 TIP3 8559 58.836 18.594 64.501 1.00 0.00 WT1 H ATOM 24910 OH2 TIP3 8560 21.461 20.239 3.603 1.00 0.00 WT1 O ATOM 24911 H1 TIP3 8560 21.757 19.955 4.468 1.00 0.00 WT1 H ATOM 24912 H2 TIP3 8560 21.747 21.150 3.539 1.00 0.00 WT1 H ATOM 24913 OH2 TIP3 8561 38.739 62.663 45.272 1.00 0.00 WT1 O ATOM 24914 H1 TIP3 8561 38.541 63.139 44.465 1.00 0.00 WT1 H ATOM 24915 H2 TIP3 8561 39.671 62.457 45.207 1.00 0.00 WT1 H ATOM 24916 OH2 TIP3 8562 41.768 25.293 14.226 1.00 0.00 WT1 O ATOM 24917 H1 TIP3 8562 41.323 24.557 13.806 1.00 0.00 WT1 H ATOM 24918 H2 TIP3 8562 42.652 25.280 13.861 1.00 0.00 WT1 H ATOM 24919 OH2 TIP3 8563 47.083 48.230 -1.170 1.00 0.00 WT1 O ATOM 24920 H1 TIP3 8563 47.558 49.027 -0.933 1.00 0.00 WT1 H ATOM 24921 H2 TIP3 8563 47.351 47.587 -0.513 1.00 0.00 WT1 H ATOM 24922 OH2 TIP3 8565 61.502 66.788 35.248 1.00 0.00 WT1 O ATOM 24923 H1 TIP3 8565 61.082 66.080 35.737 1.00 0.00 WT1 H ATOM 24924 H2 TIP3 8565 61.286 66.609 34.333 1.00 0.00 WT1 H ATOM 24925 OH2 TIP3 8566 79.781 87.781 12.514 1.00 0.00 WT1 O ATOM 24926 H1 TIP3 8566 80.337 87.853 11.737 1.00 0.00 WT1 H ATOM 24927 H2 TIP3 8566 80.315 88.137 13.224 1.00 0.00 WT1 H ATOM 24928 OH2 TIP3 8567 65.976 5.089 20.454 1.00 0.00 WT1 O ATOM 24929 H1 TIP3 8567 65.761 5.385 21.339 1.00 0.00 WT1 H ATOM 24930 H2 TIP3 8567 65.208 5.319 19.931 1.00 0.00 WT1 H ATOM 24931 OH2 TIP3 8569 87.798 42.119 18.217 1.00 0.00 WT1 O ATOM 24932 H1 TIP3 8569 87.887 42.471 17.332 1.00 0.00 WT1 H ATOM 24933 H2 TIP3 8569 88.693 41.903 18.480 1.00 0.00 WT1 H ATOM 24934 OH2 TIP3 8571 86.577 46.359 14.070 1.00 0.00 WT1 O ATOM 24935 H1 TIP3 8571 86.888 47.185 14.441 1.00 0.00 WT1 H ATOM 24936 H2 TIP3 8571 85.832 46.116 14.619 1.00 0.00 WT1 H ATOM 24937 OH2 TIP3 8572 44.652 5.971 10.285 1.00 0.00 WT1 O ATOM 24938 H1 TIP3 8572 43.739 5.999 10.572 1.00 0.00 WT1 H ATOM 24939 H2 TIP3 8572 44.990 5.150 10.642 1.00 0.00 WT1 H ATOM 24940 OH2 TIP3 8573 43.543 3.823 47.994 1.00 0.00 WT1 O ATOM 24941 H1 TIP3 8573 43.662 3.534 48.899 1.00 0.00 WT1 H ATOM 24942 H2 TIP3 8573 43.793 3.065 47.465 1.00 0.00 WT1 H ATOM 24943 OH2 TIP3 8574 31.883 77.822 -15.157 1.00 0.00 WT1 O ATOM 24944 H1 TIP3 8574 31.309 78.432 -15.621 1.00 0.00 WT1 H ATOM 24945 H2 TIP3 8574 31.388 77.575 -14.376 1.00 0.00 WT1 H ATOM 24946 OH2 TIP3 8576 30.431 19.939 -2.005 1.00 0.00 WT1 O ATOM 24947 H1 TIP3 8576 30.884 19.340 -1.412 1.00 0.00 WT1 H ATOM 24948 H2 TIP3 8576 31.131 20.453 -2.409 1.00 0.00 WT1 H ATOM 24949 OH2 TIP3 8577 56.065 41.883 -13.556 1.00 0.00 WT1 O ATOM 24950 H1 TIP3 8577 56.163 41.481 -14.420 1.00 0.00 WT1 H ATOM 24951 H2 TIP3 8577 55.391 41.359 -13.123 1.00 0.00 WT1 H ATOM 24952 OH2 TIP3 8578 61.736 57.498 40.788 1.00 0.00 WT1 O ATOM 24953 H1 TIP3 8578 61.645 57.979 39.966 1.00 0.00 WT1 H ATOM 24954 H2 TIP3 8578 60.904 57.637 41.241 1.00 0.00 WT1 H ATOM 24955 OH2 TIP3 8579 38.449 34.482 -6.971 1.00 0.00 WT1 O ATOM 24956 H1 TIP3 8579 39.291 34.368 -6.530 1.00 0.00 WT1 H ATOM 24957 H2 TIP3 8579 38.303 35.428 -6.969 1.00 0.00 WT1 H ATOM 24958 OH2 TIP3 8580 74.921 67.031 15.672 1.00 0.00 WT1 O ATOM 24959 H1 TIP3 8580 75.064 67.088 16.616 1.00 0.00 WT1 H ATOM 24960 H2 TIP3 8580 74.097 66.552 15.582 1.00 0.00 WT1 H ATOM 24961 OH2 TIP3 8581 31.635 29.817 55.072 1.00 0.00 WT1 O ATOM 24962 H1 TIP3 8581 30.722 30.066 55.214 1.00 0.00 WT1 H ATOM 24963 H2 TIP3 8581 32.119 30.275 55.759 1.00 0.00 WT1 H ATOM 24964 OH2 TIP3 8582 34.329 8.965 42.717 1.00 0.00 WT1 O ATOM 24965 H1 TIP3 8582 34.708 9.807 42.466 1.00 0.00 WT1 H ATOM 24966 H2 TIP3 8582 33.384 9.118 42.718 1.00 0.00 WT1 H ATOM 24967 OH2 TIP3 8583 71.726 4.637 7.052 1.00 0.00 WT1 O ATOM 24968 H1 TIP3 8583 72.211 4.417 7.847 1.00 0.00 WT1 H ATOM 24969 H2 TIP3 8583 71.937 5.556 6.887 1.00 0.00 WT1 H ATOM 24970 OH2 TIP3 8584 48.845 9.630 0.639 1.00 0.00 WT1 O ATOM 24971 H1 TIP3 8584 48.339 8.865 0.915 1.00 0.00 WT1 H ATOM 24972 H2 TIP3 8584 48.853 10.202 1.407 1.00 0.00 WT1 H ATOM 24973 OH2 TIP3 8585 81.749 45.005 24.913 1.00 0.00 WT1 O ATOM 24974 H1 TIP3 8585 82.382 45.723 24.937 1.00 0.00 WT1 H ATOM 24975 H2 TIP3 8585 81.159 45.180 25.646 1.00 0.00 WT1 H ATOM 24976 OH2 TIP3 8586 80.564 29.297 4.548 1.00 0.00 WT1 O ATOM 24977 H1 TIP3 8586 79.863 28.662 4.692 1.00 0.00 WT1 H ATOM 24978 H2 TIP3 8586 81.295 28.777 4.214 1.00 0.00 WT1 H ATOM 24979 OH2 TIP3 8587 32.413 61.659 -18.807 1.00 0.00 WT1 O ATOM 24980 H1 TIP3 8587 32.519 62.538 -18.443 1.00 0.00 WT1 H ATOM 24981 H2 TIP3 8587 31.685 61.281 -18.313 1.00 0.00 WT1 H ATOM 24982 OH2 TIP3 8588 85.229 90.886 13.797 1.00 0.00 WT1 O ATOM 24983 H1 TIP3 8588 84.694 90.204 14.202 1.00 0.00 WT1 H ATOM 24984 H2 TIP3 8588 84.826 91.707 14.078 1.00 0.00 WT1 H ATOM 24985 OH2 TIP3 8589 68.803 15.207 -12.065 1.00 0.00 WT1 O ATOM 24986 H1 TIP3 8589 68.466 15.061 -11.181 1.00 0.00 WT1 H ATOM 24987 H2 TIP3 8589 69.475 14.536 -12.180 1.00 0.00 WT1 H ATOM 24988 OH2 TIP3 8590 35.252 37.658 12.228 1.00 0.00 WT1 O ATOM 24989 H1 TIP3 8590 35.760 38.243 11.666 1.00 0.00 WT1 H ATOM 24990 H2 TIP3 8590 34.482 37.433 11.705 1.00 0.00 WT1 H ATOM 24991 OH2 TIP3 8591 20.846 66.480 7.050 1.00 0.00 WT1 O ATOM 24992 H1 TIP3 8591 20.822 66.868 6.175 1.00 0.00 WT1 H ATOM 24993 H2 TIP3 8591 20.526 65.587 6.925 1.00 0.00 WT1 H ATOM 24994 OH2 TIP3 8592 31.585 94.704 -10.131 1.00 0.00 WT1 O ATOM 24995 H1 TIP3 8592 31.733 94.355 -11.010 1.00 0.00 WT1 H ATOM 24996 H2 TIP3 8592 32.449 94.688 -9.718 1.00 0.00 WT1 H ATOM 24997 OH2 TIP3 8593 77.344 89.477 -7.017 1.00 0.00 WT1 O ATOM 24998 H1 TIP3 8593 77.480 88.823 -7.703 1.00 0.00 WT1 H ATOM 24999 H2 TIP3 8593 76.515 89.227 -6.608 1.00 0.00 WT1 H ATOM 25000 OH2 TIP3 8594 71.719 6.663 -4.260 1.00 0.00 WT1 O ATOM 25001 H1 TIP3 8594 71.825 7.245 -3.507 1.00 0.00 WT1 H ATOM 25002 H2 TIP3 8594 72.183 5.863 -4.012 1.00 0.00 WT1 H ATOM 25003 OH2 TIP3 8595 49.257 3.800 32.937 1.00 0.00 WT1 O ATOM 25004 H1 TIP3 8595 50.019 3.310 33.246 1.00 0.00 WT1 H ATOM 25005 H2 TIP3 8595 49.596 4.675 32.745 1.00 0.00 WT1 H ATOM 25006 OH2 TIP3 8596 57.693 55.916 36.949 1.00 0.00 WT1 O ATOM 25007 H1 TIP3 8596 56.964 56.079 37.548 1.00 0.00 WT1 H ATOM 25008 H2 TIP3 8596 57.374 56.213 36.097 1.00 0.00 WT1 H ATOM 25009 OH2 TIP3 8597 84.501 48.406 40.608 1.00 0.00 WT1 O ATOM 25010 H1 TIP3 8597 84.069 48.352 39.755 1.00 0.00 WT1 H ATOM 25011 H2 TIP3 8597 85.346 48.815 40.424 1.00 0.00 WT1 H ATOM 25012 OH2 TIP3 8598 70.401 18.559 48.701 1.00 0.00 WT1 O ATOM 25013 H1 TIP3 8598 70.221 19.320 49.253 1.00 0.00 WT1 H ATOM 25014 H2 TIP3 8598 70.512 18.921 47.822 1.00 0.00 WT1 H ATOM 25015 OH2 TIP3 8600 87.067 56.207 13.745 1.00 0.00 WT1 O ATOM 25016 H1 TIP3 8600 87.324 55.434 14.247 1.00 0.00 WT1 H ATOM 25017 H2 TIP3 8600 86.136 56.318 13.934 1.00 0.00 WT1 H ATOM 25018 OH2 TIP3 8601 66.117 47.190 15.753 1.00 0.00 WT1 O ATOM 25019 H1 TIP3 8601 65.513 47.887 16.010 1.00 0.00 WT1 H ATOM 25020 H2 TIP3 8601 65.621 46.382 15.886 1.00 0.00 WT1 H ATOM 25021 OH2 TIP3 8602 89.784 62.213 52.032 1.00 0.00 WT1 O ATOM 25022 H1 TIP3 8602 89.123 62.540 52.643 1.00 0.00 WT1 H ATOM 25023 H2 TIP3 8602 89.459 62.469 51.168 1.00 0.00 WT1 H ATOM 25024 OH2 TIP3 8603 38.772 16.614 29.617 1.00 0.00 WT1 O ATOM 25025 H1 TIP3 8603 38.468 15.746 29.352 1.00 0.00 WT1 H ATOM 25026 H2 TIP3 8603 39.712 16.506 29.758 1.00 0.00 WT1 H ATOM 25027 OH2 TIP3 8604 85.316 17.701 55.770 1.00 0.00 WT1 O ATOM 25028 H1 TIP3 8604 86.011 17.793 56.421 1.00 0.00 WT1 H ATOM 25029 H2 TIP3 8604 84.505 17.806 56.267 1.00 0.00 WT1 H ATOM 25030 OH2 TIP3 8605 88.410 32.759 2.892 1.00 0.00 WT1 O ATOM 25031 H1 TIP3 8605 87.834 33.237 3.487 1.00 0.00 WT1 H ATOM 25032 H2 TIP3 8605 88.066 31.865 2.890 1.00 0.00 WT1 H ATOM 25033 OH2 TIP3 8606 49.560 1.079 3.957 1.00 0.00 WT1 O ATOM 25034 H1 TIP3 8606 49.587 1.452 4.837 1.00 0.00 WT1 H ATOM 25035 H2 TIP3 8606 49.681 1.829 3.374 1.00 0.00 WT1 H ATOM 25036 OH2 TIP3 8607 54.973 41.121 57.326 1.00 0.00 WT1 O ATOM 25037 H1 TIP3 8607 55.479 40.590 56.711 1.00 0.00 WT1 H ATOM 25038 H2 TIP3 8607 55.195 42.025 57.102 1.00 0.00 WT1 H ATOM 25039 OH2 TIP3 8608 70.919 27.565 37.901 1.00 0.00 WT1 O ATOM 25040 H1 TIP3 8608 70.363 27.380 38.658 1.00 0.00 WT1 H ATOM 25041 H2 TIP3 8608 71.681 26.999 38.019 1.00 0.00 WT1 H ATOM 25042 OH2 TIP3 8609 68.114 81.018 55.154 1.00 0.00 WT1 O ATOM 25043 H1 TIP3 8609 68.460 80.942 54.264 1.00 0.00 WT1 H ATOM 25044 H2 TIP3 8609 68.885 81.175 55.698 1.00 0.00 WT1 H ATOM 25045 OH2 TIP3 8611 60.529 24.666 9.853 1.00 0.00 WT1 O ATOM 25046 H1 TIP3 8611 60.140 24.375 9.028 1.00 0.00 WT1 H ATOM 25047 H2 TIP3 8611 60.673 23.859 10.348 1.00 0.00 WT1 H ATOM 25048 OH2 TIP3 8612 28.735 31.484 38.459 1.00 0.00 WT1 O ATOM 25049 H1 TIP3 8612 29.257 30.688 38.358 1.00 0.00 WT1 H ATOM 25050 H2 TIP3 8612 28.967 32.021 37.702 1.00 0.00 WT1 H ATOM 25051 OH2 TIP3 8613 84.206 15.387 44.972 1.00 0.00 WT1 O ATOM 25052 H1 TIP3 8613 83.915 14.681 45.549 1.00 0.00 WT1 H ATOM 25053 H2 TIP3 8613 84.885 15.841 45.471 1.00 0.00 WT1 H ATOM 25054 OH2 TIP3 8614 88.208 53.184 0.669 1.00 0.00 WT1 O ATOM 25055 H1 TIP3 8614 88.024 52.253 0.792 1.00 0.00 WT1 H ATOM 25056 H2 TIP3 8614 87.731 53.619 1.376 1.00 0.00 WT1 H ATOM 25057 OH2 TIP3 8615 33.504 5.562 25.956 1.00 0.00 WT1 O ATOM 25058 H1 TIP3 8615 33.519 5.111 25.112 1.00 0.00 WT1 H ATOM 25059 H2 TIP3 8615 32.574 5.700 26.137 1.00 0.00 WT1 H ATOM 25060 OH2 TIP3 8616 26.094 13.000 3.599 1.00 0.00 WT1 O ATOM 25061 H1 TIP3 8616 26.264 13.182 2.675 1.00 0.00 WT1 H ATOM 25062 H2 TIP3 8616 26.750 13.515 4.069 1.00 0.00 WT1 H ATOM 25063 OH2 TIP3 8617 64.903 50.247 -3.060 1.00 0.00 WT1 O ATOM 25064 H1 TIP3 8617 65.260 51.120 -3.225 1.00 0.00 WT1 H ATOM 25065 H2 TIP3 8617 63.955 50.358 -3.134 1.00 0.00 WT1 H ATOM 25066 OH2 TIP3 8618 83.051 65.689 31.812 1.00 0.00 WT1 O ATOM 25067 H1 TIP3 8618 82.659 66.162 32.546 1.00 0.00 WT1 H ATOM 25068 H2 TIP3 8618 82.465 65.861 31.075 1.00 0.00 WT1 H ATOM 25069 OH2 TIP3 8619 90.036 45.001 10.867 1.00 0.00 WT1 O ATOM 25070 H1 TIP3 8619 89.644 44.823 11.722 1.00 0.00 WT1 H ATOM 25071 H2 TIP3 8619 89.329 45.397 10.357 1.00 0.00 WT1 H ATOM 25072 OH2 TIP3 8620 64.103 1.260 4.796 1.00 0.00 WT1 O ATOM 25073 H1 TIP3 8620 63.844 0.339 4.842 1.00 0.00 WT1 H ATOM 25074 H2 TIP3 8620 64.653 1.393 5.568 1.00 0.00 WT1 H ATOM 25075 OH2 TIP3 8622 27.805 13.994 1.236 1.00 0.00 WT1 O ATOM 25076 H1 TIP3 8622 28.728 14.247 1.255 1.00 0.00 WT1 H ATOM 25077 H2 TIP3 8622 27.455 14.421 0.454 1.00 0.00 WT1 H ATOM 25078 OH2 TIP3 8623 33.976 65.956 25.647 1.00 0.00 WT1 O ATOM 25079 H1 TIP3 8623 33.961 66.837 26.020 1.00 0.00 WT1 H ATOM 25080 H2 TIP3 8623 34.836 65.610 25.885 1.00 0.00 WT1 H ATOM 25081 OH2 TIP3 8624 80.345 25.142 59.935 1.00 0.00 WT1 O ATOM 25082 H1 TIP3 8624 80.063 24.274 59.647 1.00 0.00 WT1 H ATOM 25083 H2 TIP3 8624 80.217 25.132 60.884 1.00 0.00 WT1 H ATOM 25084 OH2 TIP3 8625 79.223 0.464 7.720 1.00 0.00 WT1 O ATOM 25085 H1 TIP3 8625 79.740 0.187 6.963 1.00 0.00 WT1 H ATOM 25086 H2 TIP3 8625 79.611 -0.004 8.460 1.00 0.00 WT1 H ATOM 25087 OH2 TIP3 8627 29.170 34.104 31.783 1.00 0.00 WT1 O ATOM 25088 H1 TIP3 8627 29.045 34.935 31.325 1.00 0.00 WT1 H ATOM 25089 H2 TIP3 8627 28.409 33.578 31.538 1.00 0.00 WT1 H ATOM 25090 OH2 TIP3 8628 83.963 49.813 44.429 1.00 0.00 WT1 O ATOM 25091 H1 TIP3 8628 84.760 49.400 44.097 1.00 0.00 WT1 H ATOM 25092 H2 TIP3 8628 83.250 49.330 44.011 1.00 0.00 WT1 H ATOM 25093 OH2 TIP3 8629 35.752 80.888 12.553 1.00 0.00 WT1 O ATOM 25094 H1 TIP3 8629 35.715 81.472 11.796 1.00 0.00 WT1 H ATOM 25095 H2 TIP3 8629 36.685 80.812 12.752 1.00 0.00 WT1 H ATOM 25096 OH2 TIP3 8630 61.338 60.270 48.934 1.00 0.00 WT1 O ATOM 25097 H1 TIP3 8630 60.567 59.768 48.668 1.00 0.00 WT1 H ATOM 25098 H2 TIP3 8630 61.600 60.743 48.144 1.00 0.00 WT1 H ATOM 25099 OH2 TIP3 8631 84.935 7.071 2.803 1.00 0.00 WT1 O ATOM 25100 H1 TIP3 8631 85.117 6.670 1.954 1.00 0.00 WT1 H ATOM 25101 H2 TIP3 8631 84.120 7.555 2.670 1.00 0.00 WT1 H ATOM 25102 OH2 TIP3 8633 60.228 6.918 46.573 1.00 0.00 WT1 O ATOM 25103 H1 TIP3 8633 59.690 6.156 46.788 1.00 0.00 WT1 H ATOM 25104 H2 TIP3 8633 60.398 6.835 45.635 1.00 0.00 WT1 H ATOM 25105 OH2 TIP3 8634 71.533 11.975 7.253 1.00 0.00 WT1 O ATOM 25106 H1 TIP3 8634 72.010 12.707 6.862 1.00 0.00 WT1 H ATOM 25107 H2 TIP3 8634 71.863 11.926 8.151 1.00 0.00 WT1 H ATOM 25108 OH2 TIP3 8635 26.016 6.889 32.826 1.00 0.00 WT1 O ATOM 25109 H1 TIP3 8635 26.152 6.273 33.547 1.00 0.00 WT1 H ATOM 25110 H2 TIP3 8635 26.292 6.409 32.046 1.00 0.00 WT1 H ATOM 25111 OH2 TIP3 8636 29.338 62.156 37.155 1.00 0.00 WT1 O ATOM 25112 H1 TIP3 8636 28.596 62.640 36.793 1.00 0.00 WT1 H ATOM 25113 H2 TIP3 8636 29.700 61.678 36.409 1.00 0.00 WT1 H ATOM 25114 OH2 TIP3 8637 88.135 6.317 59.772 1.00 0.00 WT1 O ATOM 25115 H1 TIP3 8637 88.323 7.097 59.250 1.00 0.00 WT1 H ATOM 25116 H2 TIP3 8637 88.827 6.299 60.434 1.00 0.00 WT1 H ATOM 25117 OH2 TIP3 8638 42.814 46.060 6.362 1.00 0.00 WT1 O ATOM 25118 H1 TIP3 8638 42.771 46.432 7.243 1.00 0.00 WT1 H ATOM 25119 H2 TIP3 8638 42.490 45.165 6.464 1.00 0.00 WT1 H ATOM 25120 OH2 TIP3 8639 61.183 19.326 -19.193 1.00 0.00 WT1 O ATOM 25121 H1 TIP3 8639 61.337 20.252 -19.004 1.00 0.00 WT1 H ATOM 25122 H2 TIP3 8639 61.000 18.935 -18.339 1.00 0.00 WT1 H ATOM 25123 OH2 TIP3 8640 62.038 24.175 28.813 1.00 0.00 WT1 O ATOM 25124 H1 TIP3 8640 62.513 24.856 28.338 1.00 0.00 WT1 H ATOM 25125 H2 TIP3 8640 62.717 23.697 29.290 1.00 0.00 WT1 H ATOM 25126 OH2 TIP3 8641 53.504 72.615 59.828 1.00 0.00 WT1 O ATOM 25127 H1 TIP3 8641 53.154 72.095 59.105 1.00 0.00 WT1 H ATOM 25128 H2 TIP3 8641 54.322 72.177 60.065 1.00 0.00 WT1 H ATOM 25129 OH2 TIP3 8642 90.354 22.051 50.367 1.00 0.00 WT1 O ATOM 25130 H1 TIP3 8642 89.601 21.620 50.771 1.00 0.00 WT1 H ATOM 25131 H2 TIP3 8642 90.298 21.816 49.441 1.00 0.00 WT1 H ATOM 25132 OH2 TIP3 8643 40.060 6.468 56.711 1.00 0.00 WT1 O ATOM 25133 H1 TIP3 8643 40.593 6.415 55.918 1.00 0.00 WT1 H ATOM 25134 H2 TIP3 8643 39.675 7.344 56.684 1.00 0.00 WT1 H ATOM 25135 OH2 TIP3 8644 37.070 18.048 -16.507 1.00 0.00 WT1 O ATOM 25136 H1 TIP3 8644 37.107 17.515 -15.713 1.00 0.00 WT1 H ATOM 25137 H2 TIP3 8644 36.699 18.882 -16.220 1.00 0.00 WT1 H ATOM 25138 OH2 TIP3 8645 32.036 32.181 46.389 1.00 0.00 WT1 O ATOM 25139 H1 TIP3 8645 31.416 32.238 47.115 1.00 0.00 WT1 H ATOM 25140 H2 TIP3 8645 32.869 31.953 46.802 1.00 0.00 WT1 H ATOM 25141 OH2 TIP3 8646 37.593 72.763 11.859 1.00 0.00 WT1 O ATOM 25142 H1 TIP3 8646 38.514 72.562 11.692 1.00 0.00 WT1 H ATOM 25143 H2 TIP3 8646 37.489 73.669 11.569 1.00 0.00 WT1 H ATOM 25144 OH2 TIP3 8647 73.538 37.829 13.522 1.00 0.00 WT1 O ATOM 25145 H1 TIP3 8647 73.311 36.900 13.483 1.00 0.00 WT1 H ATOM 25146 H2 TIP3 8647 72.695 38.282 13.526 1.00 0.00 WT1 H ATOM 25147 OH2 TIP3 8648 85.335 27.185 34.765 1.00 0.00 WT1 O ATOM 25148 H1 TIP3 8648 85.044 26.355 35.142 1.00 0.00 WT1 H ATOM 25149 H2 TIP3 8648 84.545 27.562 34.376 1.00 0.00 WT1 H ATOM 25150 OH2 TIP3 8649 81.635 96.578 -19.264 1.00 0.00 WT1 O ATOM 25151 H1 TIP3 8649 81.235 95.794 -19.640 1.00 0.00 WT1 H ATOM 25152 H2 TIP3 8649 80.902 97.059 -18.878 1.00 0.00 WT1 H ATOM 25153 OH2 TIP3 8650 83.048 34.186 37.619 1.00 0.00 WT1 O ATOM 25154 H1 TIP3 8650 83.320 33.951 36.732 1.00 0.00 WT1 H ATOM 25155 H2 TIP3 8650 83.565 34.964 37.830 1.00 0.00 WT1 H ATOM 25156 OH2 TIP3 8652 41.042 21.397 43.101 1.00 0.00 WT1 O ATOM 25157 H1 TIP3 8652 41.980 21.208 43.130 1.00 0.00 WT1 H ATOM 25158 H2 TIP3 8652 40.987 22.281 42.738 1.00 0.00 WT1 H ATOM 25159 OH2 TIP3 8653 68.700 42.742 60.002 1.00 0.00 WT1 O ATOM 25160 H1 TIP3 8653 68.881 43.644 59.736 1.00 0.00 WT1 H ATOM 25161 H2 TIP3 8653 67.990 42.460 59.426 1.00 0.00 WT1 H ATOM 25162 OH2 TIP3 8654 83.116 34.663 19.111 1.00 0.00 WT1 O ATOM 25163 H1 TIP3 8654 82.881 35.582 19.235 1.00 0.00 WT1 H ATOM 25164 H2 TIP3 8654 83.026 34.517 18.169 1.00 0.00 WT1 H ATOM 25165 OH2 TIP3 8655 44.969 93.459 4.007 1.00 0.00 WT1 O ATOM 25166 H1 TIP3 8655 45.887 93.190 4.044 1.00 0.00 WT1 H ATOM 25167 H2 TIP3 8655 44.711 93.307 3.098 1.00 0.00 WT1 H ATOM 25168 OH2 TIP3 8656 25.608 53.036 59.104 1.00 0.00 WT1 O ATOM 25169 H1 TIP3 8656 25.592 52.428 59.843 1.00 0.00 WT1 H ATOM 25170 H2 TIP3 8656 24.743 52.950 58.703 1.00 0.00 WT1 H ATOM 25171 OH2 TIP3 8657 82.804 37.770 -11.031 1.00 0.00 WT1 O ATOM 25172 H1 TIP3 8657 82.099 37.200 -10.724 1.00 0.00 WT1 H ATOM 25173 H2 TIP3 8657 83.005 38.328 -10.280 1.00 0.00 WT1 H ATOM 25174 OH2 TIP3 8658 86.041 9.911 35.911 1.00 0.00 WT1 O ATOM 25175 H1 TIP3 8658 86.556 10.581 35.461 1.00 0.00 WT1 H ATOM 25176 H2 TIP3 8658 85.195 10.329 36.073 1.00 0.00 WT1 H ATOM 25177 OH2 TIP3 8659 88.290 66.267 33.797 1.00 0.00 WT1 O ATOM 25178 H1 TIP3 8659 87.447 65.815 33.754 1.00 0.00 WT1 H ATOM 25179 H2 TIP3 8659 88.712 66.067 32.962 1.00 0.00 WT1 H ATOM 25180 OH2 TIP3 8660 58.997 51.557 31.899 1.00 0.00 WT1 O ATOM 25181 H1 TIP3 8660 58.991 52.451 31.558 1.00 0.00 WT1 H ATOM 25182 H2 TIP3 8660 59.179 51.009 31.135 1.00 0.00 WT1 H ATOM 25183 OH2 TIP3 8662 78.971 75.291 38.858 1.00 0.00 WT1 O ATOM 25184 H1 TIP3 8662 78.300 75.152 38.190 1.00 0.00 WT1 H ATOM 25185 H2 TIP3 8662 78.885 76.214 39.097 1.00 0.00 WT1 H ATOM 25186 OH2 TIP3 8663 67.849 85.910 45.272 1.00 0.00 WT1 O ATOM 25187 H1 TIP3 8663 68.337 85.092 45.179 1.00 0.00 WT1 H ATOM 25188 H2 TIP3 8663 68.491 86.595 45.085 1.00 0.00 WT1 H ATOM 25189 OH2 TIP3 8665 82.625 35.246 56.645 1.00 0.00 WT1 O ATOM 25190 H1 TIP3 8665 82.524 36.106 57.053 1.00 0.00 WT1 H ATOM 25191 H2 TIP3 8665 83.569 35.084 56.657 1.00 0.00 WT1 H ATOM 25192 OH2 TIP3 8666 88.912 39.028 -3.294 1.00 0.00 WT1 O ATOM 25193 H1 TIP3 8666 88.150 39.599 -3.203 1.00 0.00 WT1 H ATOM 25194 H2 TIP3 8666 89.594 39.594 -3.657 1.00 0.00 WT1 H ATOM 25195 OH2 TIP3 8667 36.377 55.521 -4.835 1.00 0.00 WT1 O ATOM 25196 H1 TIP3 8667 36.419 55.640 -3.886 1.00 0.00 WT1 H ATOM 25197 H2 TIP3 8667 36.576 54.595 -4.970 1.00 0.00 WT1 H ATOM 25198 OH2 TIP3 8668 88.604 46.169 28.078 1.00 0.00 WT1 O ATOM 25199 H1 TIP3 8668 87.889 45.859 27.523 1.00 0.00 WT1 H ATOM 25200 H2 TIP3 8668 88.879 46.993 27.676 1.00 0.00 WT1 H ATOM 25201 OH2 TIP3 8669 27.448 18.296 34.891 1.00 0.00 WT1 O ATOM 25202 H1 TIP3 8669 27.023 18.310 34.033 1.00 0.00 WT1 H ATOM 25203 H2 TIP3 8669 26.795 18.658 35.489 1.00 0.00 WT1 H ATOM 25204 OH2 TIP3 8670 39.099 3.812 45.883 1.00 0.00 WT1 O ATOM 25205 H1 TIP3 8670 38.935 4.638 46.339 1.00 0.00 WT1 H ATOM 25206 H2 TIP3 8670 39.313 4.072 44.986 1.00 0.00 WT1 H ATOM 25207 OH2 TIP3 8671 67.273 84.352 -10.960 1.00 0.00 WT1 O ATOM 25208 H1 TIP3 8671 67.052 83.612 -11.524 1.00 0.00 WT1 H ATOM 25209 H2 TIP3 8671 67.199 85.118 -11.529 1.00 0.00 WT1 H ATOM 25210 OH2 TIP3 8672 50.060 13.526 43.014 1.00 0.00 WT1 O ATOM 25211 H1 TIP3 8672 50.377 12.718 43.418 1.00 0.00 WT1 H ATOM 25212 H2 TIP3 8672 49.541 13.232 42.266 1.00 0.00 WT1 H ATOM 25213 OH2 TIP3 8673 54.657 0.507 -4.879 1.00 0.00 WT1 O ATOM 25214 H1 TIP3 8673 54.396 -0.312 -5.300 1.00 0.00 WT1 H ATOM 25215 H2 TIP3 8673 53.849 1.018 -4.827 1.00 0.00 WT1 H ATOM 25216 OH2 TIP3 8674 62.583 28.142 40.459 1.00 0.00 WT1 O ATOM 25217 H1 TIP3 8674 62.941 28.954 40.100 1.00 0.00 WT1 H ATOM 25218 H2 TIP3 8674 61.666 28.344 40.642 1.00 0.00 WT1 H ATOM 25219 OH2 TIP3 8675 33.383 73.193 41.140 1.00 0.00 WT1 O ATOM 25220 H1 TIP3 8675 33.555 73.167 40.198 1.00 0.00 WT1 H ATOM 25221 H2 TIP3 8675 33.456 72.282 41.422 1.00 0.00 WT1 H ATOM 25222 OH2 TIP3 8676 88.765 37.001 -6.832 1.00 0.00 WT1 O ATOM 25223 H1 TIP3 8676 88.763 36.519 -6.005 1.00 0.00 WT1 H ATOM 25224 H2 TIP3 8676 89.692 37.100 -7.049 1.00 0.00 WT1 H ATOM 25225 OH2 TIP3 8677 22.600 91.691 65.461 1.00 0.00 WT1 O ATOM 25226 H1 TIP3 8677 22.761 90.940 64.890 1.00 0.00 WT1 H ATOM 25227 H2 TIP3 8677 21.878 91.414 66.025 1.00 0.00 WT1 H ATOM 25228 OH2 TIP3 8678 90.580 43.043 -12.973 1.00 0.00 WT1 O ATOM 25229 H1 TIP3 8678 89.654 43.211 -13.148 1.00 0.00 WT1 H ATOM 25230 H2 TIP3 8678 91.031 43.340 -13.763 1.00 0.00 WT1 H ATOM 25231 OH2 TIP3 8679 45.910 10.124 -8.089 1.00 0.00 WT1 O ATOM 25232 H1 TIP3 8679 45.931 10.265 -7.143 1.00 0.00 WT1 H ATOM 25233 H2 TIP3 8679 46.026 10.997 -8.464 1.00 0.00 WT1 H ATOM 25234 OH2 TIP3 8680 64.864 45.973 -13.772 1.00 0.00 WT1 O ATOM 25235 H1 TIP3 8680 65.462 46.684 -13.542 1.00 0.00 WT1 H ATOM 25236 H2 TIP3 8680 63.991 46.343 -13.643 1.00 0.00 WT1 H ATOM 25237 OH2 TIP3 8681 82.854 14.109 -9.142 1.00 0.00 WT1 O ATOM 25238 H1 TIP3 8681 81.927 14.123 -8.903 1.00 0.00 WT1 H ATOM 25239 H2 TIP3 8681 82.856 13.964 -10.088 1.00 0.00 WT1 H ATOM 25240 OH2 TIP3 8682 81.515 49.424 -19.074 1.00 0.00 WT1 O ATOM 25241 H1 TIP3 8682 80.984 48.639 -18.940 1.00 0.00 WT1 H ATOM 25242 H2 TIP3 8682 81.118 49.857 -19.830 1.00 0.00 WT1 H ATOM 25243 OH2 TIP3 8683 33.351 45.244 -18.550 1.00 0.00 WT1 O ATOM 25244 H1 TIP3 8683 33.096 44.355 -18.302 1.00 0.00 WT1 H ATOM 25245 H2 TIP3 8683 34.103 45.442 -17.992 1.00 0.00 WT1 H ATOM 25246 OH2 TIP3 8684 22.857 39.041 49.007 1.00 0.00 WT1 O ATOM 25247 H1 TIP3 8684 23.222 39.475 48.236 1.00 0.00 WT1 H ATOM 25248 H2 TIP3 8684 22.956 38.107 48.826 1.00 0.00 WT1 H ATOM 25249 OH2 TIP3 8685 34.949 85.102 -3.337 1.00 0.00 WT1 O ATOM 25250 H1 TIP3 8685 35.526 84.494 -3.799 1.00 0.00 WT1 H ATOM 25251 H2 TIP3 8685 35.512 85.518 -2.685 1.00 0.00 WT1 H ATOM 25252 OH2 TIP3 8686 75.617 6.684 -6.814 1.00 0.00 WT1 O ATOM 25253 H1 TIP3 8686 75.580 6.185 -5.998 1.00 0.00 WT1 H ATOM 25254 H2 TIP3 8686 74.934 7.348 -6.721 1.00 0.00 WT1 H ATOM 25255 OH2 TIP3 8687 41.875 58.654 -1.462 1.00 0.00 WT1 O ATOM 25256 H1 TIP3 8687 41.177 59.309 -1.436 1.00 0.00 WT1 H ATOM 25257 H2 TIP3 8687 42.434 58.868 -0.716 1.00 0.00 WT1 H ATOM 25258 OH2 TIP3 8688 86.579 56.894 27.430 1.00 0.00 WT1 O ATOM 25259 H1 TIP3 8688 86.840 57.441 28.171 1.00 0.00 WT1 H ATOM 25260 H2 TIP3 8688 87.316 56.946 26.822 1.00 0.00 WT1 H ATOM 25261 OH2 TIP3 8690 77.454 58.503 40.904 1.00 0.00 WT1 O ATOM 25262 H1 TIP3 8690 76.534 58.386 41.142 1.00 0.00 WT1 H ATOM 25263 H2 TIP3 8690 77.725 57.648 40.569 1.00 0.00 WT1 H ATOM 25264 OH2 TIP3 8691 67.845 83.559 64.617 1.00 0.00 WT1 O ATOM 25265 H1 TIP3 8691 68.357 82.767 64.456 1.00 0.00 WT1 H ATOM 25266 H2 TIP3 8691 68.498 84.235 64.797 1.00 0.00 WT1 H ATOM 25267 OH2 TIP3 8692 80.398 83.583 2.905 1.00 0.00 WT1 O ATOM 25268 H1 TIP3 8692 80.712 83.073 2.157 1.00 0.00 WT1 H ATOM 25269 H2 TIP3 8692 80.368 84.484 2.584 1.00 0.00 WT1 H ATOM 25270 OH2 TIP3 8693 63.082 30.370 -5.141 1.00 0.00 WT1 O ATOM 25271 H1 TIP3 8693 63.286 29.914 -4.325 1.00 0.00 WT1 H ATOM 25272 H2 TIP3 8693 62.559 31.124 -4.870 1.00 0.00 WT1 H ATOM 25273 OH2 TIP3 8694 90.093 35.150 63.469 1.00 0.00 WT1 O ATOM 25274 H1 TIP3 8694 89.391 35.787 63.600 1.00 0.00 WT1 H ATOM 25275 H2 TIP3 8694 90.893 35.676 63.444 1.00 0.00 WT1 H ATOM 25276 OH2 TIP3 8695 65.627 88.617 21.215 1.00 0.00 WT1 O ATOM 25277 H1 TIP3 8695 66.562 88.793 21.109 1.00 0.00 WT1 H ATOM 25278 H2 TIP3 8695 65.234 89.479 21.353 1.00 0.00 WT1 H ATOM 25279 OH2 TIP3 8696 71.122 70.780 -13.739 1.00 0.00 WT1 O ATOM 25280 H1 TIP3 8696 70.955 71.385 -13.017 1.00 0.00 WT1 H ATOM 25281 H2 TIP3 8696 71.034 69.910 -13.349 1.00 0.00 WT1 H ATOM 25282 OH2 TIP3 8697 38.675 51.737 26.951 1.00 0.00 WT1 O ATOM 25283 H1 TIP3 8697 38.930 52.530 27.423 1.00 0.00 WT1 H ATOM 25284 H2 TIP3 8697 39.432 51.157 27.031 1.00 0.00 WT1 H ATOM 25285 OH2 TIP3 8698 79.696 5.213 44.941 1.00 0.00 WT1 O ATOM 25286 H1 TIP3 8698 79.121 5.804 44.454 1.00 0.00 WT1 H ATOM 25287 H2 TIP3 8698 79.556 4.357 44.537 1.00 0.00 WT1 H ATOM 25288 OH2 TIP3 8699 42.075 47.939 63.134 1.00 0.00 WT1 O ATOM 25289 H1 TIP3 8699 41.524 48.716 63.228 1.00 0.00 WT1 H ATOM 25290 H2 TIP3 8699 42.190 47.617 64.028 1.00 0.00 WT1 H ATOM 25291 OH2 TIP3 8700 26.435 49.722 64.575 1.00 0.00 WT1 O ATOM 25292 H1 TIP3 8700 26.615 49.750 63.635 1.00 0.00 WT1 H ATOM 25293 H2 TIP3 8700 27.046 49.069 64.917 1.00 0.00 WT1 H ATOM 25294 OH2 TIP3 8702 82.276 93.476 -17.823 1.00 0.00 WT1 O ATOM 25295 H1 TIP3 8702 83.117 93.367 -17.379 1.00 0.00 WT1 H ATOM 25296 H2 TIP3 8702 82.494 93.915 -18.645 1.00 0.00 WT1 H ATOM 25297 OH2 TIP3 8703 30.521 57.347 57.138 1.00 0.00 WT1 O ATOM 25298 H1 TIP3 8703 29.722 57.851 56.986 1.00 0.00 WT1 H ATOM 25299 H2 TIP3 8703 30.289 56.450 56.897 1.00 0.00 WT1 H ATOM 25300 OH2 TIP3 8704 25.260 49.836 14.963 1.00 0.00 WT1 O ATOM 25301 H1 TIP3 8704 25.746 50.442 14.403 1.00 0.00 WT1 H ATOM 25302 H2 TIP3 8704 24.443 49.675 14.490 1.00 0.00 WT1 H ATOM 25303 OH2 TIP3 8706 81.152 75.568 41.680 1.00 0.00 WT1 O ATOM 25304 H1 TIP3 8706 82.084 75.701 41.849 1.00 0.00 WT1 H ATOM 25305 H2 TIP3 8706 81.043 74.617 41.669 1.00 0.00 WT1 H ATOM 25306 OH2 TIP3 8707 85.185 72.653 2.133 1.00 0.00 WT1 O ATOM 25307 H1 TIP3 8707 85.479 72.589 1.225 1.00 0.00 WT1 H ATOM 25308 H2 TIP3 8707 85.969 72.472 2.652 1.00 0.00 WT1 H ATOM 25309 OH2 TIP3 8708 62.650 48.001 63.245 1.00 0.00 WT1 O ATOM 25310 H1 TIP3 8708 63.496 47.606 63.458 1.00 0.00 WT1 H ATOM 25311 H2 TIP3 8708 62.712 48.211 62.313 1.00 0.00 WT1 H ATOM 25312 OH2 TIP3 8709 28.550 58.877 36.164 1.00 0.00 WT1 O ATOM 25313 H1 TIP3 8709 29.452 58.684 35.909 1.00 0.00 WT1 H ATOM 25314 H2 TIP3 8709 28.014 58.437 35.504 1.00 0.00 WT1 H ATOM 25315 OH2 TIP3 8710 70.133 48.532 62.941 1.00 0.00 WT1 O ATOM 25316 H1 TIP3 8710 69.935 49.003 62.132 1.00 0.00 WT1 H ATOM 25317 H2 TIP3 8710 69.877 49.135 63.639 1.00 0.00 WT1 H ATOM 25318 OH2 TIP3 8711 20.858 30.924 21.596 1.00 0.00 WT1 O ATOM 25319 H1 TIP3 8711 21.125 30.917 20.677 1.00 0.00 WT1 H ATOM 25320 H2 TIP3 8711 21.494 30.358 22.035 1.00 0.00 WT1 H ATOM 25321 OH2 TIP3 8712 50.222 55.668 22.819 1.00 0.00 WT1 O ATOM 25322 H1 TIP3 8712 49.886 55.670 21.923 1.00 0.00 WT1 H ATOM 25323 H2 TIP3 8712 50.537 56.561 22.960 1.00 0.00 WT1 H ATOM 25324 OH2 TIP3 8713 52.769 38.166 13.171 1.00 0.00 WT1 O ATOM 25325 H1 TIP3 8713 52.796 38.913 13.769 1.00 0.00 WT1 H ATOM 25326 H2 TIP3 8713 52.089 37.596 13.529 1.00 0.00 WT1 H ATOM 25327 OH2 TIP3 8714 57.145 31.621 44.217 1.00 0.00 WT1 O ATOM 25328 H1 TIP3 8714 57.045 32.152 45.006 1.00 0.00 WT1 H ATOM 25329 H2 TIP3 8714 56.861 32.194 43.504 1.00 0.00 WT1 H ATOM 25330 OH2 TIP3 8715 53.411 35.948 8.997 1.00 0.00 WT1 O ATOM 25331 H1 TIP3 8715 53.090 35.958 9.898 1.00 0.00 WT1 H ATOM 25332 H2 TIP3 8715 53.391 35.024 8.745 1.00 0.00 WT1 H ATOM 25333 OH2 TIP3 8716 29.145 25.756 15.034 1.00 0.00 WT1 O ATOM 25334 H1 TIP3 8716 29.862 26.168 14.551 1.00 0.00 WT1 H ATOM 25335 H2 TIP3 8716 28.351 26.125 14.647 1.00 0.00 WT1 H ATOM 25336 OH2 TIP3 8717 71.189 33.046 11.307 1.00 0.00 WT1 O ATOM 25337 H1 TIP3 8717 70.602 33.168 12.053 1.00 0.00 WT1 H ATOM 25338 H2 TIP3 8717 70.638 32.656 10.629 1.00 0.00 WT1 H ATOM 25339 OH2 TIP3 8718 49.015 43.705 61.767 1.00 0.00 WT1 O ATOM 25340 H1 TIP3 8718 49.461 44.067 61.001 1.00 0.00 WT1 H ATOM 25341 H2 TIP3 8718 49.667 43.138 62.178 1.00 0.00 WT1 H ATOM 25342 OH2 TIP3 8719 38.422 73.411 31.357 1.00 0.00 WT1 O ATOM 25343 H1 TIP3 8719 39.239 73.224 31.820 1.00 0.00 WT1 H ATOM 25344 H2 TIP3 8719 38.399 72.775 30.643 1.00 0.00 WT1 H ATOM 25345 OH2 TIP3 8720 83.094 52.668 -4.688 1.00 0.00 WT1 O ATOM 25346 H1 TIP3 8720 82.650 53.266 -4.087 1.00 0.00 WT1 H ATOM 25347 H2 TIP3 8720 82.386 52.186 -5.115 1.00 0.00 WT1 H ATOM 25348 OH2 TIP3 8721 22.531 89.161 37.718 1.00 0.00 WT1 O ATOM 25349 H1 TIP3 8721 23.378 89.328 37.306 1.00 0.00 WT1 H ATOM 25350 H2 TIP3 8721 22.641 88.321 38.163 1.00 0.00 WT1 H ATOM 25351 OH2 TIP3 8722 39.592 75.598 -7.042 1.00 0.00 WT1 O ATOM 25352 H1 TIP3 8722 39.613 75.772 -6.101 1.00 0.00 WT1 H ATOM 25353 H2 TIP3 8722 40.385 76.013 -7.381 1.00 0.00 WT1 H ATOM 25354 OH2 TIP3 8723 80.697 70.518 44.450 1.00 0.00 WT1 O ATOM 25355 H1 TIP3 8723 80.778 70.428 45.399 1.00 0.00 WT1 H ATOM 25356 H2 TIP3 8723 81.516 70.933 44.177 1.00 0.00 WT1 H ATOM 25357 OH2 TIP3 8724 49.262 62.799 11.225 1.00 0.00 WT1 O ATOM 25358 H1 TIP3 8724 50.092 62.612 11.664 1.00 0.00 WT1 H ATOM 25359 H2 TIP3 8724 49.235 63.754 11.160 1.00 0.00 WT1 H ATOM 25360 OH2 TIP3 8725 53.166 69.346 6.523 1.00 0.00 WT1 O ATOM 25361 H1 TIP3 8725 53.762 69.222 7.262 1.00 0.00 WT1 H ATOM 25362 H2 TIP3 8725 52.402 68.811 6.738 1.00 0.00 WT1 H ATOM 25363 OH2 TIP3 8726 86.293 64.610 25.524 1.00 0.00 WT1 O ATOM 25364 H1 TIP3 8726 86.956 64.343 26.161 1.00 0.00 WT1 H ATOM 25365 H2 TIP3 8726 86.309 63.922 24.859 1.00 0.00 WT1 H ATOM 25366 OH2 TIP3 8727 42.298 53.480 29.002 1.00 0.00 WT1 O ATOM 25367 H1 TIP3 8727 43.033 53.779 29.536 1.00 0.00 WT1 H ATOM 25368 H2 TIP3 8727 42.706 53.053 28.249 1.00 0.00 WT1 H ATOM 25369 OH2 TIP3 8728 75.193 9.626 57.208 1.00 0.00 WT1 O ATOM 25370 H1 TIP3 8728 74.734 9.469 58.034 1.00 0.00 WT1 H ATOM 25371 H2 TIP3 8728 75.193 8.775 56.769 1.00 0.00 WT1 H ATOM 25372 OH2 TIP3 8729 26.214 85.795 23.066 1.00 0.00 WT1 O ATOM 25373 H1 TIP3 8729 27.168 85.843 23.013 1.00 0.00 WT1 H ATOM 25374 H2 TIP3 8729 25.910 86.119 22.218 1.00 0.00 WT1 H ATOM 25375 OH2 TIP3 8730 35.115 29.394 55.164 1.00 0.00 WT1 O ATOM 25376 H1 TIP3 8730 35.852 28.892 55.513 1.00 0.00 WT1 H ATOM 25377 H2 TIP3 8730 34.961 29.022 54.296 1.00 0.00 WT1 H ATOM 25378 OH2 TIP3 8731 22.868 64.406 16.220 1.00 0.00 WT1 O ATOM 25379 H1 TIP3 8731 23.620 64.433 16.811 1.00 0.00 WT1 H ATOM 25380 H2 TIP3 8731 22.211 63.894 16.690 1.00 0.00 WT1 H ATOM 25381 OH2 TIP3 8732 30.203 52.098 13.401 1.00 0.00 WT1 O ATOM 25382 H1 TIP3 8732 30.082 51.846 14.316 1.00 0.00 WT1 H ATOM 25383 H2 TIP3 8732 30.128 53.052 13.403 1.00 0.00 WT1 H ATOM 25384 OH2 TIP3 8733 72.991 50.324 12.847 1.00 0.00 WT1 O ATOM 25385 H1 TIP3 8733 73.616 49.945 12.228 1.00 0.00 WT1 H ATOM 25386 H2 TIP3 8733 72.133 50.133 12.469 1.00 0.00 WT1 H ATOM 25387 OH2 TIP3 8734 63.699 70.697 51.336 1.00 0.00 WT1 O ATOM 25388 H1 TIP3 8734 63.525 70.265 52.172 1.00 0.00 WT1 H ATOM 25389 H2 TIP3 8734 63.505 71.620 51.497 1.00 0.00 WT1 H ATOM 25390 OH2 TIP3 8735 88.759 85.901 -13.860 1.00 0.00 WT1 O ATOM 25391 H1 TIP3 8735 88.672 84.960 -13.711 1.00 0.00 WT1 H ATOM 25392 H2 TIP3 8735 89.106 85.973 -14.749 1.00 0.00 WT1 H ATOM 25393 OH2 TIP3 8736 67.857 46.952 3.798 1.00 0.00 WT1 O ATOM 25394 H1 TIP3 8736 67.934 46.494 4.635 1.00 0.00 WT1 H ATOM 25395 H2 TIP3 8736 67.079 47.501 3.895 1.00 0.00 WT1 H ATOM 25396 OH2 TIP3 8737 24.274 41.900 7.097 1.00 0.00 WT1 O ATOM 25397 H1 TIP3 8737 24.427 42.495 7.831 1.00 0.00 WT1 H ATOM 25398 H2 TIP3 8737 23.627 42.350 6.554 1.00 0.00 WT1 H ATOM 25399 OH2 TIP3 8738 81.780 47.462 63.367 1.00 0.00 WT1 O ATOM 25400 H1 TIP3 8738 81.116 48.149 63.318 1.00 0.00 WT1 H ATOM 25401 H2 TIP3 8738 81.878 47.290 64.304 1.00 0.00 WT1 H ATOM 25402 OH2 TIP3 8739 58.668 49.420 0.083 1.00 0.00 WT1 O ATOM 25403 H1 TIP3 8739 58.777 49.711 0.988 1.00 0.00 WT1 H ATOM 25404 H2 TIP3 8739 57.729 49.257 -0.005 1.00 0.00 WT1 H ATOM 25405 OH2 TIP3 8740 41.166 25.896 -10.702 1.00 0.00 WT1 O ATOM 25406 H1 TIP3 8740 40.961 26.780 -10.399 1.00 0.00 WT1 H ATOM 25407 H2 TIP3 8740 40.325 25.537 -10.984 1.00 0.00 WT1 H ATOM 25408 OH2 TIP3 8741 22.564 46.352 -5.342 1.00 0.00 WT1 O ATOM 25409 H1 TIP3 8741 23.397 46.784 -5.531 1.00 0.00 WT1 H ATOM 25410 H2 TIP3 8741 22.406 46.529 -4.415 1.00 0.00 WT1 H ATOM 25411 OH2 TIP3 8742 53.896 82.171 1.132 1.00 0.00 WT1 O ATOM 25412 H1 TIP3 8742 53.254 81.754 1.707 1.00 0.00 WT1 H ATOM 25413 H2 TIP3 8742 54.035 81.538 0.428 1.00 0.00 WT1 H ATOM 25414 OH2 TIP3 8743 22.632 33.604 40.588 1.00 0.00 WT1 O ATOM 25415 H1 TIP3 8743 22.694 33.896 39.679 1.00 0.00 WT1 H ATOM 25416 H2 TIP3 8743 22.588 34.413 41.098 1.00 0.00 WT1 H ATOM 25417 OH2 TIP3 8744 73.877 37.517 7.000 1.00 0.00 WT1 O ATOM 25418 H1 TIP3 8744 73.024 37.439 7.425 1.00 0.00 WT1 H ATOM 25419 H2 TIP3 8744 74.296 36.669 7.144 1.00 0.00 WT1 H ATOM 25420 OH2 TIP3 8745 84.370 82.432 37.139 1.00 0.00 WT1 O ATOM 25421 H1 TIP3 8745 83.670 81.780 37.128 1.00 0.00 WT1 H ATOM 25422 H2 TIP3 8745 84.567 82.589 36.215 1.00 0.00 WT1 H ATOM 25423 OH2 TIP3 8746 57.556 53.960 -14.064 1.00 0.00 WT1 O ATOM 25424 H1 TIP3 8746 56.861 54.258 -13.476 1.00 0.00 WT1 H ATOM 25425 H2 TIP3 8746 57.267 53.096 -14.357 1.00 0.00 WT1 H ATOM 25426 OH2 TIP3 8747 86.777 52.510 57.953 1.00 0.00 WT1 O ATOM 25427 H1 TIP3 8747 86.846 52.791 57.041 1.00 0.00 WT1 H ATOM 25428 H2 TIP3 8747 87.663 52.607 58.302 1.00 0.00 WT1 H ATOM 25429 OH2 TIP3 8748 36.965 6.003 24.993 1.00 0.00 WT1 O ATOM 25430 H1 TIP3 8748 36.787 5.286 25.602 1.00 0.00 WT1 H ATOM 25431 H2 TIP3 8748 37.070 6.773 25.552 1.00 0.00 WT1 H ATOM 25432 OH2 TIP3 8749 66.988 94.326 -19.124 1.00 0.00 WT1 O ATOM 25433 H1 TIP3 8749 66.221 94.756 -18.747 1.00 0.00 WT1 H ATOM 25434 H2 TIP3 8749 67.728 94.861 -18.838 1.00 0.00 WT1 H ATOM 25435 OH2 TIP3 8750 67.264 68.122 21.416 1.00 0.00 WT1 O ATOM 25436 H1 TIP3 8750 66.986 68.318 20.521 1.00 0.00 WT1 H ATOM 25437 H2 TIP3 8750 66.950 67.232 21.575 1.00 0.00 WT1 H ATOM 25438 OH2 TIP3 8751 34.782 70.791 53.364 1.00 0.00 WT1 O ATOM 25439 H1 TIP3 8751 34.042 71.382 53.222 1.00 0.00 WT1 H ATOM 25440 H2 TIP3 8751 35.170 71.086 54.188 1.00 0.00 WT1 H ATOM 25441 OH2 TIP3 8752 78.082 78.495 -6.392 1.00 0.00 WT1 O ATOM 25442 H1 TIP3 8752 77.604 77.915 -6.985 1.00 0.00 WT1 H ATOM 25443 H2 TIP3 8752 78.051 79.352 -6.817 1.00 0.00 WT1 H ATOM 25444 OH2 TIP3 8753 52.489 83.479 37.875 1.00 0.00 WT1 O ATOM 25445 H1 TIP3 8753 53.209 84.083 37.694 1.00 0.00 WT1 H ATOM 25446 H2 TIP3 8753 51.717 83.910 37.507 1.00 0.00 WT1 H ATOM 25447 OH2 TIP3 8754 23.506 21.927 -6.492 1.00 0.00 WT1 O ATOM 25448 H1 TIP3 8754 23.822 21.655 -5.631 1.00 0.00 WT1 H ATOM 25449 H2 TIP3 8754 23.584 22.881 -6.487 1.00 0.00 WT1 H ATOM 25450 OH2 TIP3 8755 84.805 39.820 6.428 1.00 0.00 WT1 O ATOM 25451 H1 TIP3 8755 85.732 40.023 6.298 1.00 0.00 WT1 H ATOM 25452 H2 TIP3 8755 84.724 39.661 7.369 1.00 0.00 WT1 H ATOM 25453 OH2 TIP3 8756 37.583 34.026 55.916 1.00 0.00 WT1 O ATOM 25454 H1 TIP3 8756 38.016 33.269 55.522 1.00 0.00 WT1 H ATOM 25455 H2 TIP3 8756 36.701 33.718 56.123 1.00 0.00 WT1 H ATOM 25456 OH2 TIP3 8757 50.907 30.602 30.783 1.00 0.00 WT1 O ATOM 25457 H1 TIP3 8757 51.127 30.010 30.064 1.00 0.00 WT1 H ATOM 25458 H2 TIP3 8757 50.570 31.388 30.352 1.00 0.00 WT1 H ATOM 25459 OH2 TIP3 8758 44.832 18.748 54.366 1.00 0.00 WT1 O ATOM 25460 H1 TIP3 8758 45.720 18.832 54.018 1.00 0.00 WT1 H ATOM 25461 H2 TIP3 8758 44.744 19.478 54.978 1.00 0.00 WT1 H ATOM 25462 OH2 TIP3 8759 24.027 74.135 32.862 1.00 0.00 WT1 O ATOM 25463 H1 TIP3 8759 24.421 74.918 33.246 1.00 0.00 WT1 H ATOM 25464 H2 TIP3 8759 23.254 73.967 33.402 1.00 0.00 WT1 H ATOM 25465 OH2 TIP3 8760 83.005 56.980 -2.133 1.00 0.00 WT1 O ATOM 25466 H1 TIP3 8760 82.909 57.261 -3.043 1.00 0.00 WT1 H ATOM 25467 H2 TIP3 8760 83.486 57.692 -1.711 1.00 0.00 WT1 H ATOM 25468 OH2 TIP3 8761 77.199 83.804 23.820 1.00 0.00 WT1 O ATOM 25469 H1 TIP3 8761 78.090 83.480 23.952 1.00 0.00 WT1 H ATOM 25470 H2 TIP3 8761 77.308 84.737 23.634 1.00 0.00 WT1 H ATOM 25471 OH2 TIP3 8762 35.430 84.577 16.084 1.00 0.00 WT1 O ATOM 25472 H1 TIP3 8762 34.784 83.936 16.382 1.00 0.00 WT1 H ATOM 25473 H2 TIP3 8762 35.713 85.022 16.883 1.00 0.00 WT1 H ATOM 25474 OH2 TIP3 8763 34.567 65.582 10.877 1.00 0.00 WT1 O ATOM 25475 H1 TIP3 8763 34.514 66.472 10.528 1.00 0.00 WT1 H ATOM 25476 H2 TIP3 8763 35.067 65.671 11.688 1.00 0.00 WT1 H ATOM 25477 OH2 TIP3 8764 73.883 44.878 43.554 1.00 0.00 WT1 O ATOM 25478 H1 TIP3 8764 73.189 45.501 43.337 1.00 0.00 WT1 H ATOM 25479 H2 TIP3 8764 74.331 44.718 42.723 1.00 0.00 WT1 H ATOM 25480 OH2 TIP3 8765 39.188 78.029 65.903 1.00 0.00 WT1 O ATOM 25481 H1 TIP3 8765 39.650 78.868 65.906 1.00 0.00 WT1 H ATOM 25482 H2 TIP3 8765 39.475 77.600 65.098 1.00 0.00 WT1 H ATOM 25483 OH2 TIP3 8766 60.103 21.289 46.010 1.00 0.00 WT1 O ATOM 25484 H1 TIP3 8766 59.985 22.235 45.924 1.00 0.00 WT1 H ATOM 25485 H2 TIP3 8766 59.215 20.934 45.991 1.00 0.00 WT1 H ATOM 25486 OH2 TIP3 8767 80.147 15.723 -12.067 1.00 0.00 WT1 O ATOM 25487 H1 TIP3 8767 80.949 15.455 -12.516 1.00 0.00 WT1 H ATOM 25488 H2 TIP3 8767 79.646 14.914 -11.968 1.00 0.00 WT1 H ATOM 25489 OH2 TIP3 8768 59.375 71.558 53.347 1.00 0.00 WT1 O ATOM 25490 H1 TIP3 8768 58.907 70.991 53.960 1.00 0.00 WT1 H ATOM 25491 H2 TIP3 8768 59.785 70.954 52.727 1.00 0.00 WT1 H ATOM 25492 OH2 TIP3 8769 70.211 66.230 -7.983 1.00 0.00 WT1 O ATOM 25493 H1 TIP3 8769 70.616 65.430 -7.649 1.00 0.00 WT1 H ATOM 25494 H2 TIP3 8769 70.170 66.814 -7.225 1.00 0.00 WT1 H ATOM 25495 OH2 TIP3 8770 32.743 46.905 37.930 1.00 0.00 WT1 O ATOM 25496 H1 TIP3 8770 32.977 47.074 37.017 1.00 0.00 WT1 H ATOM 25497 H2 TIP3 8770 31.873 46.509 37.885 1.00 0.00 WT1 H ATOM 25498 OH2 TIP3 8771 48.547 47.120 6.602 1.00 0.00 WT1 O ATOM 25499 H1 TIP3 8771 48.084 46.283 6.642 1.00 0.00 WT1 H ATOM 25500 H2 TIP3 8771 48.918 47.231 7.477 1.00 0.00 WT1 H ATOM 25501 OH2 TIP3 8772 44.622 84.638 49.569 1.00 0.00 WT1 O ATOM 25502 H1 TIP3 8772 44.701 83.853 49.028 1.00 0.00 WT1 H ATOM 25503 H2 TIP3 8772 44.914 84.361 50.438 1.00 0.00 WT1 H ATOM 25504 OH2 TIP3 8773 61.092 85.712 49.413 1.00 0.00 WT1 O ATOM 25505 H1 TIP3 8773 60.653 85.152 48.772 1.00 0.00 WT1 H ATOM 25506 H2 TIP3 8773 61.045 85.221 50.233 1.00 0.00 WT1 H ATOM 25507 OH2 TIP3 8774 20.791 69.204 1.405 1.00 0.00 WT1 O ATOM 25508 H1 TIP3 8774 21.090 68.868 2.250 1.00 0.00 WT1 H ATOM 25509 H2 TIP3 8774 19.893 68.881 1.324 1.00 0.00 WT1 H ATOM 25510 OH2 TIP3 8775 38.766 55.640 50.570 1.00 0.00 WT1 O ATOM 25511 H1 TIP3 8775 39.365 54.894 50.600 1.00 0.00 WT1 H ATOM 25512 H2 TIP3 8775 38.944 56.124 51.377 1.00 0.00 WT1 H ATOM 25513 OH2 TIP3 8776 53.452 41.109 31.116 1.00 0.00 WT1 O ATOM 25514 H1 TIP3 8776 53.940 40.447 30.627 1.00 0.00 WT1 H ATOM 25515 H2 TIP3 8776 52.745 40.623 31.539 1.00 0.00 WT1 H ATOM 25516 OH2 TIP3 8777 21.450 44.761 40.397 1.00 0.00 WT1 O ATOM 25517 H1 TIP3 8777 21.995 45.548 40.390 1.00 0.00 WT1 H ATOM 25518 H2 TIP3 8777 20.630 45.040 40.805 1.00 0.00 WT1 H ATOM 25519 OH2 TIP3 8778 32.030 92.278 16.339 1.00 0.00 WT1 O ATOM 25520 H1 TIP3 8778 32.038 91.575 16.989 1.00 0.00 WT1 H ATOM 25521 H2 TIP3 8778 32.931 92.600 16.323 1.00 0.00 WT1 H ATOM 25522 OH2 TIP3 8779 40.897 15.455 -11.508 1.00 0.00 WT1 O ATOM 25523 H1 TIP3 8779 41.395 15.371 -12.322 1.00 0.00 WT1 H ATOM 25524 H2 TIP3 8779 39.999 15.232 -11.753 1.00 0.00 WT1 H ATOM 25525 OH2 TIP3 8780 83.590 71.105 54.757 1.00 0.00 WT1 O ATOM 25526 H1 TIP3 8780 84.537 71.247 54.764 1.00 0.00 WT1 H ATOM 25527 H2 TIP3 8780 83.216 71.977 54.881 1.00 0.00 WT1 H ATOM 25528 OH2 TIP3 8781 82.073 46.837 20.887 1.00 0.00 WT1 O ATOM 25529 H1 TIP3 8781 81.181 46.510 21.002 1.00 0.00 WT1 H ATOM 25530 H2 TIP3 8781 81.967 47.661 20.412 1.00 0.00 WT1 H ATOM 25531 OH2 TIP3 8782 57.944 5.391 25.076 1.00 0.00 WT1 O ATOM 25532 H1 TIP3 8782 58.684 5.435 25.680 1.00 0.00 WT1 H ATOM 25533 H2 TIP3 8782 57.726 6.306 24.896 1.00 0.00 WT1 H ATOM 25534 OH2 TIP3 8783 76.517 49.943 29.699 1.00 0.00 WT1 O ATOM 25535 H1 TIP3 8783 75.747 49.861 30.262 1.00 0.00 WT1 H ATOM 25536 H2 TIP3 8783 76.704 49.048 29.416 1.00 0.00 WT1 H ATOM 25537 OH2 TIP3 8784 35.171 22.239 3.271 1.00 0.00 WT1 O ATOM 25538 H1 TIP3 8784 34.844 21.342 3.206 1.00 0.00 WT1 H ATOM 25539 H2 TIP3 8784 35.355 22.361 4.202 1.00 0.00 WT1 H ATOM 25540 OH2 TIP3 8785 73.240 19.119 -15.465 1.00 0.00 WT1 O ATOM 25541 H1 TIP3 8785 72.850 19.449 -16.274 1.00 0.00 WT1 H ATOM 25542 H2 TIP3 8785 74.093 18.777 -15.732 1.00 0.00 WT1 H ATOM 25543 OH2 TIP3 8786 55.601 65.236 61.815 1.00 0.00 WT1 O ATOM 25544 H1 TIP3 8786 55.054 65.165 62.597 1.00 0.00 WT1 H ATOM 25545 H2 TIP3 8786 54.993 65.120 61.085 1.00 0.00 WT1 H ATOM 25546 OH2 TIP3 8787 75.665 27.614 31.104 1.00 0.00 WT1 O ATOM 25547 H1 TIP3 8787 75.951 28.473 31.415 1.00 0.00 WT1 H ATOM 25548 H2 TIP3 8787 76.064 27.527 30.239 1.00 0.00 WT1 H ATOM 25549 OH2 TIP3 8788 71.464 14.504 39.734 1.00 0.00 WT1 O ATOM 25550 H1 TIP3 8788 72.261 14.348 40.240 1.00 0.00 WT1 H ATOM 25551 H2 TIP3 8788 70.852 13.832 40.036 1.00 0.00 WT1 H ATOM 25552 OH2 TIP3 8789 86.885 54.952 -11.326 1.00 0.00 WT1 O ATOM 25553 H1 TIP3 8789 87.741 55.366 -11.432 1.00 0.00 WT1 H ATOM 25554 H2 TIP3 8789 87.082 54.067 -11.022 1.00 0.00 WT1 H ATOM 25555 OH2 TIP3 8790 69.128 30.111 30.838 1.00 0.00 WT1 O ATOM 25556 H1 TIP3 8790 68.640 29.573 31.462 1.00 0.00 WT1 H ATOM 25557 H2 TIP3 8790 69.206 30.963 31.266 1.00 0.00 WT1 H ATOM 25558 OH2 TIP3 8791 53.658 60.227 17.105 1.00 0.00 WT1 O ATOM 25559 H1 TIP3 8791 53.859 59.341 17.406 1.00 0.00 WT1 H ATOM 25560 H2 TIP3 8791 52.713 60.220 16.951 1.00 0.00 WT1 H ATOM 25561 OH2 TIP3 8793 24.493 80.881 29.153 1.00 0.00 WT1 O ATOM 25562 H1 TIP3 8793 24.529 80.361 28.350 1.00 0.00 WT1 H ATOM 25563 H2 TIP3 8793 24.980 81.678 28.945 1.00 0.00 WT1 H ATOM 25564 OH2 TIP3 8794 65.878 53.592 64.362 1.00 0.00 WT1 O ATOM 25565 H1 TIP3 8794 64.948 53.685 64.155 1.00 0.00 WT1 H ATOM 25566 H2 TIP3 8794 66.302 54.308 63.888 1.00 0.00 WT1 H ATOM 25567 OH2 TIP3 8795 81.042 79.789 3.131 1.00 0.00 WT1 O ATOM 25568 H1 TIP3 8795 81.689 79.259 3.596 1.00 0.00 WT1 H ATOM 25569 H2 TIP3 8795 80.412 80.045 3.805 1.00 0.00 WT1 H ATOM 25570 OH2 TIP3 8797 65.106 45.126 11.375 1.00 0.00 WT1 O ATOM 25571 H1 TIP3 8797 64.608 45.754 11.899 1.00 0.00 WT1 H ATOM 25572 H2 TIP3 8797 65.273 44.395 11.970 1.00 0.00 WT1 H ATOM 25573 OH2 TIP3 8798 34.376 94.554 -9.214 1.00 0.00 WT1 O ATOM 25574 H1 TIP3 8798 35.164 95.051 -9.435 1.00 0.00 WT1 H ATOM 25575 H2 TIP3 8798 33.993 95.028 -8.476 1.00 0.00 WT1 H ATOM 25576 OH2 TIP3 8799 45.012 42.067 50.914 1.00 0.00 WT1 O ATOM 25577 H1 TIP3 8799 44.491 42.744 51.344 1.00 0.00 WT1 H ATOM 25578 H2 TIP3 8799 45.723 42.546 50.488 1.00 0.00 WT1 H ATOM 25579 OH2 TIP3 8800 86.985 18.644 49.007 1.00 0.00 WT1 O ATOM 25580 H1 TIP3 8800 86.298 18.105 48.614 1.00 0.00 WT1 H ATOM 25581 H2 TIP3 8800 87.769 18.095 48.975 1.00 0.00 WT1 H ATOM 25582 OH2 TIP3 8801 41.807 12.454 -10.305 1.00 0.00 WT1 O ATOM 25583 H1 TIP3 8801 42.117 12.096 -9.474 1.00 0.00 WT1 H ATOM 25584 H2 TIP3 8801 41.464 13.320 -10.081 1.00 0.00 WT1 H ATOM 25585 OH2 TIP3 8802 48.281 31.564 -17.227 1.00 0.00 WT1 O ATOM 25586 H1 TIP3 8802 48.669 30.690 -17.210 1.00 0.00 WT1 H ATOM 25587 H2 TIP3 8802 47.410 31.448 -16.847 1.00 0.00 WT1 H ATOM 25588 OH2 TIP3 8803 57.209 8.123 24.471 1.00 0.00 WT1 O ATOM 25589 H1 TIP3 8803 56.774 8.609 23.770 1.00 0.00 WT1 H ATOM 25590 H2 TIP3 8803 58.104 7.998 24.157 1.00 0.00 WT1 H ATOM 25591 OH2 TIP3 8804 68.258 68.989 -0.890 1.00 0.00 WT1 O ATOM 25592 H1 TIP3 8804 68.831 68.399 -0.400 1.00 0.00 WT1 H ATOM 25593 H2 TIP3 8804 68.844 69.664 -1.231 1.00 0.00 WT1 H ATOM 25594 OH2 TIP3 8805 79.540 16.964 46.753 1.00 0.00 WT1 O ATOM 25595 H1 TIP3 8805 78.840 17.289 46.186 1.00 0.00 WT1 H ATOM 25596 H2 TIP3 8805 79.445 16.012 46.729 1.00 0.00 WT1 H ATOM 25597 OH2 TIP3 8806 21.768 59.677 9.941 1.00 0.00 WT1 O ATOM 25598 H1 TIP3 8806 20.899 59.939 10.244 1.00 0.00 WT1 H ATOM 25599 H2 TIP3 8806 21.871 58.779 10.256 1.00 0.00 WT1 H ATOM 25600 OH2 TIP3 8808 48.241 70.450 -18.829 1.00 0.00 WT1 O ATOM 25601 H1 TIP3 8808 49.173 70.282 -18.688 1.00 0.00 WT1 H ATOM 25602 H2 TIP3 8808 47.813 70.097 -18.048 1.00 0.00 WT1 H ATOM 25603 OH2 TIP3 8809 75.032 54.156 -7.267 1.00 0.00 WT1 O ATOM 25604 H1 TIP3 8809 75.149 54.608 -8.102 1.00 0.00 WT1 H ATOM 25605 H2 TIP3 8809 75.733 54.494 -6.710 1.00 0.00 WT1 H ATOM 25606 OH2 TIP3 8810 76.690 64.970 6.174 1.00 0.00 WT1 O ATOM 25607 H1 TIP3 8810 77.202 64.450 5.554 1.00 0.00 WT1 H ATOM 25608 H2 TIP3 8810 77.258 65.059 6.939 1.00 0.00 WT1 H ATOM 25609 OH2 TIP3 8811 36.559 81.007 18.702 1.00 0.00 WT1 O ATOM 25610 H1 TIP3 8811 35.825 80.508 18.342 1.00 0.00 WT1 H ATOM 25611 H2 TIP3 8811 36.736 80.596 19.549 1.00 0.00 WT1 H ATOM 25612 OH2 TIP3 8812 88.191 62.026 29.772 1.00 0.00 WT1 O ATOM 25613 H1 TIP3 8812 87.319 62.079 30.162 1.00 0.00 WT1 H ATOM 25614 H2 TIP3 8812 88.043 61.650 28.904 1.00 0.00 WT1 H ATOM 25615 OH2 TIP3 8813 27.256 14.018 47.323 1.00 0.00 WT1 O ATOM 25616 H1 TIP3 8813 27.045 14.937 47.485 1.00 0.00 WT1 H ATOM 25617 H2 TIP3 8813 28.099 13.885 47.755 1.00 0.00 WT1 H ATOM 25618 OH2 TIP3 8815 22.811 65.703 30.487 1.00 0.00 WT1 O ATOM 25619 H1 TIP3 8815 23.280 65.566 29.664 1.00 0.00 WT1 H ATOM 25620 H2 TIP3 8815 21.888 65.732 30.236 1.00 0.00 WT1 H ATOM 25621 OH2 TIP3 8816 28.134 68.971 29.159 1.00 0.00 WT1 O ATOM 25622 H1 TIP3 8816 28.741 69.690 28.984 1.00 0.00 WT1 H ATOM 25623 H2 TIP3 8816 27.795 69.151 30.036 1.00 0.00 WT1 H ATOM 25624 OH2 TIP3 8817 77.852 68.112 7.244 1.00 0.00 WT1 O ATOM 25625 H1 TIP3 8817 78.140 67.670 6.445 1.00 0.00 WT1 H ATOM 25626 H2 TIP3 8817 78.440 67.785 7.924 1.00 0.00 WT1 H ATOM 25627 OH2 TIP3 8818 71.455 88.508 2.066 1.00 0.00 WT1 O ATOM 25628 H1 TIP3 8818 70.924 88.498 2.862 1.00 0.00 WT1 H ATOM 25629 H2 TIP3 8818 71.415 89.415 1.762 1.00 0.00 WT1 H ATOM 25630 OH2 TIP3 8819 27.466 89.186 2.967 1.00 0.00 WT1 O ATOM 25631 H1 TIP3 8819 27.103 89.319 3.842 1.00 0.00 WT1 H ATOM 25632 H2 TIP3 8819 27.169 89.945 2.465 1.00 0.00 WT1 H ATOM 25633 OH2 TIP3 8820 63.705 27.537 21.322 1.00 0.00 WT1 O ATOM 25634 H1 TIP3 8820 63.458 26.726 20.878 1.00 0.00 WT1 H ATOM 25635 H2 TIP3 8820 62.891 28.039 21.374 1.00 0.00 WT1 H ATOM 25636 OH2 TIP3 8821 22.947 74.365 20.114 1.00 0.00 WT1 O ATOM 25637 H1 TIP3 8821 22.169 73.987 20.525 1.00 0.00 WT1 H ATOM 25638 H2 TIP3 8821 23.128 75.155 20.623 1.00 0.00 WT1 H ATOM 25639 OH2 TIP3 8822 35.834 36.735 35.352 1.00 0.00 WT1 O ATOM 25640 H1 TIP3 8822 36.514 37.381 35.542 1.00 0.00 WT1 H ATOM 25641 H2 TIP3 8822 35.492 36.993 34.496 1.00 0.00 WT1 H ATOM 25642 OH2 TIP3 8823 79.992 18.325 8.849 1.00 0.00 WT1 O ATOM 25643 H1 TIP3 8823 79.730 18.925 9.547 1.00 0.00 WT1 H ATOM 25644 H2 TIP3 8823 79.476 18.599 8.091 1.00 0.00 WT1 H ATOM 25645 OH2 TIP3 8824 30.061 30.341 22.371 1.00 0.00 WT1 O ATOM 25646 H1 TIP3 8824 29.537 31.019 22.798 1.00 0.00 WT1 H ATOM 25647 H2 TIP3 8824 30.609 29.985 23.071 1.00 0.00 WT1 H ATOM 25648 OH2 TIP3 8825 73.520 75.786 2.615 1.00 0.00 WT1 O ATOM 25649 H1 TIP3 8825 72.604 75.869 2.882 1.00 0.00 WT1 H ATOM 25650 H2 TIP3 8825 73.497 75.199 1.859 1.00 0.00 WT1 H ATOM 25651 OH2 TIP3 8827 70.352 71.747 17.353 1.00 0.00 WT1 O ATOM 25652 H1 TIP3 8827 69.795 71.453 18.073 1.00 0.00 WT1 H ATOM 25653 H2 TIP3 8827 70.745 72.560 17.670 1.00 0.00 WT1 H ATOM 25654 OH2 TIP3 8828 33.033 40.196 16.090 1.00 0.00 WT1 O ATOM 25655 H1 TIP3 8828 33.833 40.174 15.564 1.00 0.00 WT1 H ATOM 25656 H2 TIP3 8828 33.055 39.383 16.595 1.00 0.00 WT1 H ATOM 25657 OH2 TIP3 8829 69.788 20.305 11.477 1.00 0.00 WT1 O ATOM 25658 H1 TIP3 8829 69.413 21.148 11.734 1.00 0.00 WT1 H ATOM 25659 H2 TIP3 8829 70.684 20.329 11.811 1.00 0.00 WT1 H ATOM 25660 OH2 TIP3 8830 51.918 65.145 9.789 1.00 0.00 WT1 O ATOM 25661 H1 TIP3 8830 52.719 65.663 9.712 1.00 0.00 WT1 H ATOM 25662 H2 TIP3 8830 51.777 65.060 10.732 1.00 0.00 WT1 H ATOM 25663 OH2 TIP3 8832 57.446 66.913 20.613 1.00 0.00 WT1 O ATOM 25664 H1 TIP3 8832 57.149 66.175 20.080 1.00 0.00 WT1 H ATOM 25665 H2 TIP3 8832 58.359 66.710 20.816 1.00 0.00 WT1 H ATOM 25666 OH2 TIP3 8833 33.217 63.313 -11.825 1.00 0.00 WT1 O ATOM 25667 H1 TIP3 8833 32.387 62.838 -11.841 1.00 0.00 WT1 H ATOM 25668 H2 TIP3 8833 33.838 62.698 -11.435 1.00 0.00 WT1 H ATOM 25669 OH2 TIP3 8834 76.413 33.258 2.857 1.00 0.00 WT1 O ATOM 25670 H1 TIP3 8834 76.873 32.444 3.063 1.00 0.00 WT1 H ATOM 25671 H2 TIP3 8834 75.516 32.985 2.666 1.00 0.00 WT1 H ATOM 25672 OH2 TIP3 8835 66.417 59.674 23.601 1.00 0.00 WT1 O ATOM 25673 H1 TIP3 8835 65.665 59.309 23.134 1.00 0.00 WT1 H ATOM 25674 H2 TIP3 8835 66.266 60.619 23.596 1.00 0.00 WT1 H ATOM 25675 OH2 TIP3 8836 40.437 37.429 40.046 1.00 0.00 WT1 O ATOM 25676 H1 TIP3 8836 39.760 37.927 40.503 1.00 0.00 WT1 H ATOM 25677 H2 TIP3 8836 41.024 38.094 39.687 1.00 0.00 WT1 H ATOM 25678 OH2 TIP3 8837 35.164 85.409 7.459 1.00 0.00 WT1 O ATOM 25679 H1 TIP3 8837 34.579 85.030 8.115 1.00 0.00 WT1 H ATOM 25680 H2 TIP3 8837 35.457 84.662 6.938 1.00 0.00 WT1 H ATOM 25681 OH2 TIP3 8839 85.193 19.721 45.276 1.00 0.00 WT1 O ATOM 25682 H1 TIP3 8839 85.099 19.078 44.573 1.00 0.00 WT1 H ATOM 25683 H2 TIP3 8839 85.790 20.380 44.921 1.00 0.00 WT1 H ATOM 25684 OH2 TIP3 8840 49.339 6.216 52.842 1.00 0.00 WT1 O ATOM 25685 H1 TIP3 8840 49.451 6.095 53.785 1.00 0.00 WT1 H ATOM 25686 H2 TIP3 8840 48.821 5.461 52.563 1.00 0.00 WT1 H ATOM 25687 OH2 TIP3 8841 65.940 64.694 47.097 1.00 0.00 WT1 O ATOM 25688 H1 TIP3 8841 66.091 63.977 46.481 1.00 0.00 WT1 H ATOM 25689 H2 TIP3 8841 65.353 64.324 47.757 1.00 0.00 WT1 H ATOM 25690 OH2 TIP3 8842 76.554 5.386 35.527 1.00 0.00 WT1 O ATOM 25691 H1 TIP3 8842 75.717 5.009 35.258 1.00 0.00 WT1 H ATOM 25692 H2 TIP3 8842 77.207 4.915 35.010 1.00 0.00 WT1 H ATOM 25693 OH2 TIP3 8843 69.051 58.135 -2.773 1.00 0.00 WT1 O ATOM 25694 H1 TIP3 8843 69.611 57.372 -2.635 1.00 0.00 WT1 H ATOM 25695 H2 TIP3 8843 68.341 57.814 -3.329 1.00 0.00 WT1 H ATOM 25696 OH2 TIP3 8844 61.190 6.332 1.249 1.00 0.00 WT1 O ATOM 25697 H1 TIP3 8844 61.113 5.636 0.596 1.00 0.00 WT1 H ATOM 25698 H2 TIP3 8844 60.809 7.101 0.827 1.00 0.00 WT1 H ATOM 25699 OH2 TIP3 8845 78.331 3.637 34.323 1.00 0.00 WT1 O ATOM 25700 H1 TIP3 8845 78.344 2.948 33.659 1.00 0.00 WT1 H ATOM 25701 H2 TIP3 8845 79.113 4.159 34.142 1.00 0.00 WT1 H ATOM 25702 OH2 TIP3 8846 63.218 16.134 22.719 1.00 0.00 WT1 O ATOM 25703 H1 TIP3 8846 63.404 16.570 21.887 1.00 0.00 WT1 H ATOM 25704 H2 TIP3 8846 62.822 15.300 22.469 1.00 0.00 WT1 H ATOM 25705 OH2 TIP3 8847 74.650 41.672 15.125 1.00 0.00 WT1 O ATOM 25706 H1 TIP3 8847 75.465 42.174 15.115 1.00 0.00 WT1 H ATOM 25707 H2 TIP3 8847 73.959 42.335 15.115 1.00 0.00 WT1 H ATOM 25708 OH2 TIP3 8848 26.169 90.766 -17.820 1.00 0.00 WT1 O ATOM 25709 H1 TIP3 8848 25.504 91.023 -18.459 1.00 0.00 WT1 H ATOM 25710 H2 TIP3 8848 26.702 90.115 -18.277 1.00 0.00 WT1 H ATOM 25711 OH2 TIP3 8849 87.814 78.288 -5.098 1.00 0.00 WT1 O ATOM 25712 H1 TIP3 8849 88.680 78.685 -5.191 1.00 0.00 WT1 H ATOM 25713 H2 TIP3 8849 87.900 77.428 -5.509 1.00 0.00 WT1 H ATOM 25714 OH2 TIP3 8850 38.175 85.233 62.673 1.00 0.00 WT1 O ATOM 25715 H1 TIP3 8850 38.438 84.337 62.462 1.00 0.00 WT1 H ATOM 25716 H2 TIP3 8850 37.416 85.132 63.248 1.00 0.00 WT1 H ATOM 25717 OH2 TIP3 8851 21.034 53.090 5.810 1.00 0.00 WT1 O ATOM 25718 H1 TIP3 8851 21.181 53.818 6.414 1.00 0.00 WT1 H ATOM 25719 H2 TIP3 8851 20.811 52.350 6.374 1.00 0.00 WT1 H ATOM 25720 OH2 TIP3 8852 62.195 52.275 5.844 1.00 0.00 WT1 O ATOM 25721 H1 TIP3 8852 61.645 53.059 5.832 1.00 0.00 WT1 H ATOM 25722 H2 TIP3 8852 62.381 52.127 6.771 1.00 0.00 WT1 H ATOM 25723 OH2 TIP3 8853 74.629 92.031 5.962 1.00 0.00 WT1 O ATOM 25724 H1 TIP3 8853 75.224 92.298 6.662 1.00 0.00 WT1 H ATOM 25725 H2 TIP3 8853 74.164 91.274 6.318 1.00 0.00 WT1 H ATOM 25726 OH2 TIP3 8854 85.877 4.579 36.265 1.00 0.00 WT1 O ATOM 25727 H1 TIP3 8854 85.237 4.366 35.586 1.00 0.00 WT1 H ATOM 25728 H2 TIP3 8854 85.486 4.251 37.075 1.00 0.00 WT1 H ATOM 25729 OH2 TIP3 8855 64.956 30.502 -8.796 1.00 0.00 WT1 O ATOM 25730 H1 TIP3 8855 65.196 31.261 -9.328 1.00 0.00 WT1 H ATOM 25731 H2 TIP3 8855 64.004 30.443 -8.878 1.00 0.00 WT1 H ATOM 25732 OH2 TIP3 8856 55.256 31.502 14.292 1.00 0.00 WT1 O ATOM 25733 H1 TIP3 8856 54.547 30.871 14.163 1.00 0.00 WT1 H ATOM 25734 H2 TIP3 8856 54.813 32.314 14.536 1.00 0.00 WT1 H ATOM 25735 OH2 TIP3 8857 29.812 9.039 44.977 1.00 0.00 WT1 O ATOM 25736 H1 TIP3 8857 29.277 9.831 45.033 1.00 0.00 WT1 H ATOM 25737 H2 TIP3 8857 30.638 9.277 45.398 1.00 0.00 WT1 H ATOM 25738 OH2 TIP3 8858 87.369 61.188 63.281 1.00 0.00 WT1 O ATOM 25739 H1 TIP3 8858 86.538 60.786 63.027 1.00 0.00 WT1 H ATOM 25740 H2 TIP3 8858 87.502 61.888 62.642 1.00 0.00 WT1 H ATOM 25741 OH2 TIP3 8859 77.044 94.121 26.595 1.00 0.00 WT1 O ATOM 25742 H1 TIP3 8859 77.534 94.473 27.338 1.00 0.00 WT1 H ATOM 25743 H2 TIP3 8859 76.262 93.732 26.986 1.00 0.00 WT1 H ATOM 25744 OH2 TIP3 8860 67.023 34.989 -8.159 1.00 0.00 WT1 O ATOM 25745 H1 TIP3 8860 67.464 35.576 -7.545 1.00 0.00 WT1 H ATOM 25746 H2 TIP3 8860 67.104 35.424 -9.008 1.00 0.00 WT1 H ATOM 25747 OH2 TIP3 8861 65.267 49.584 52.748 1.00 0.00 WT1 O ATOM 25748 H1 TIP3 8861 65.405 50.421 53.191 1.00 0.00 WT1 H ATOM 25749 H2 TIP3 8861 65.972 49.534 52.103 1.00 0.00 WT1 H ATOM 25750 OH2 TIP3 8863 47.842 77.101 -7.832 1.00 0.00 WT1 O ATOM 25751 H1 TIP3 8863 47.230 76.415 -8.098 1.00 0.00 WT1 H ATOM 25752 H2 TIP3 8863 47.809 77.094 -6.875 1.00 0.00 WT1 H ATOM 25753 OH2 TIP3 8864 51.832 37.719 36.806 1.00 0.00 WT1 O ATOM 25754 H1 TIP3 8864 51.675 38.317 36.075 1.00 0.00 WT1 H ATOM 25755 H2 TIP3 8864 51.552 38.208 37.580 1.00 0.00 WT1 H ATOM 25756 OH2 TIP3 8865 69.805 44.380 1.679 1.00 0.00 WT1 O ATOM 25757 H1 TIP3 8865 70.198 44.838 2.422 1.00 0.00 WT1 H ATOM 25758 H2 TIP3 8865 68.983 44.843 1.519 1.00 0.00 WT1 H ATOM 25759 OH2 TIP3 8866 67.648 92.527 28.485 1.00 0.00 WT1 O ATOM 25760 H1 TIP3 8866 68.095 92.615 29.327 1.00 0.00 WT1 H ATOM 25761 H2 TIP3 8866 68.063 91.771 28.071 1.00 0.00 WT1 H ATOM 25762 OH2 TIP3 8867 32.214 58.182 16.345 1.00 0.00 WT1 O ATOM 25763 H1 TIP3 8867 32.303 57.382 16.862 1.00 0.00 WT1 H ATOM 25764 H2 TIP3 8867 33.086 58.329 15.977 1.00 0.00 WT1 H ATOM 25765 OH2 TIP3 8868 83.206 67.907 44.226 1.00 0.00 WT1 O ATOM 25766 H1 TIP3 8868 83.814 67.431 43.660 1.00 0.00 WT1 H ATOM 25767 H2 TIP3 8868 82.410 67.376 44.222 1.00 0.00 WT1 H ATOM 25768 OH2 TIP3 8869 51.341 37.030 -9.588 1.00 0.00 WT1 O ATOM 25769 H1 TIP3 8869 50.967 37.152 -8.716 1.00 0.00 WT1 H ATOM 25770 H2 TIP3 8869 51.199 36.103 -9.783 1.00 0.00 WT1 H ATOM 25771 OH2 TIP3 8870 62.620 4.675 -8.510 1.00 0.00 WT1 O ATOM 25772 H1 TIP3 8870 61.693 4.907 -8.461 1.00 0.00 WT1 H ATOM 25773 H2 TIP3 8870 63.068 5.375 -8.035 1.00 0.00 WT1 H ATOM 25774 OH2 TIP3 8871 71.316 54.909 8.188 1.00 0.00 WT1 O ATOM 25775 H1 TIP3 8871 71.074 54.574 9.051 1.00 0.00 WT1 H ATOM 25776 H2 TIP3 8871 70.642 55.558 7.985 1.00 0.00 WT1 H ATOM 25777 OH2 TIP3 8872 90.445 67.353 10.108 1.00 0.00 WT1 O ATOM 25778 H1 TIP3 8872 90.341 67.164 9.176 1.00 0.00 WT1 H ATOM 25779 H2 TIP3 8872 90.887 66.580 10.461 1.00 0.00 WT1 H ATOM 25780 OH2 TIP3 8873 68.199 96.331 -11.195 1.00 0.00 WT1 O ATOM 25781 H1 TIP3 8873 68.191 96.285 -10.239 1.00 0.00 WT1 H ATOM 25782 H2 TIP3 8873 67.435 96.863 -11.416 1.00 0.00 WT1 H ATOM 25783 OH2 TIP3 8874 63.665 95.598 21.912 1.00 0.00 WT1 O ATOM 25784 H1 TIP3 8874 62.919 95.026 21.729 1.00 0.00 WT1 H ATOM 25785 H2 TIP3 8874 63.638 95.732 22.860 1.00 0.00 WT1 H ATOM 25786 OH2 TIP3 8875 28.117 62.366 2.846 1.00 0.00 WT1 O ATOM 25787 H1 TIP3 8875 28.800 63.035 2.820 1.00 0.00 WT1 H ATOM 25788 H2 TIP3 8875 28.580 61.543 2.687 1.00 0.00 WT1 H ATOM 25789 OH2 TIP3 8876 49.352 58.670 47.110 1.00 0.00 WT1 O ATOM 25790 H1 TIP3 8876 48.847 59.439 46.848 1.00 0.00 WT1 H ATOM 25791 H2 TIP3 8876 50.264 58.919 46.958 1.00 0.00 WT1 H ATOM 25792 OH2 TIP3 8877 87.432 51.867 20.953 1.00 0.00 WT1 O ATOM 25793 H1 TIP3 8877 87.999 51.118 20.766 1.00 0.00 WT1 H ATOM 25794 H2 TIP3 8877 87.935 52.400 21.568 1.00 0.00 WT1 H ATOM 25795 OH2 TIP3 8878 23.237 31.893 -4.743 1.00 0.00 WT1 O ATOM 25796 H1 TIP3 8878 24.162 31.992 -4.519 1.00 0.00 WT1 H ATOM 25797 H2 TIP3 8878 23.068 32.590 -5.377 1.00 0.00 WT1 H ATOM 25798 OH2 TIP3 8879 48.972 17.270 25.470 1.00 0.00 WT1 O ATOM 25799 H1 TIP3 8879 48.028 17.297 25.316 1.00 0.00 WT1 H ATOM 25800 H2 TIP3 8879 49.355 17.650 24.679 1.00 0.00 WT1 H ATOM 25801 OH2 TIP3 8880 21.184 60.542 43.808 1.00 0.00 WT1 O ATOM 25802 H1 TIP3 8880 22.023 60.413 43.366 1.00 0.00 WT1 H ATOM 25803 H2 TIP3 8880 20.528 60.380 43.131 1.00 0.00 WT1 H ATOM 25804 OH2 TIP3 8881 65.082 55.193 16.322 1.00 0.00 WT1 O ATOM 25805 H1 TIP3 8881 65.558 54.602 15.739 1.00 0.00 WT1 H ATOM 25806 H2 TIP3 8881 64.241 54.760 16.467 1.00 0.00 WT1 H ATOM 25807 OH2 TIP3 8882 80.358 35.752 39.888 1.00 0.00 WT1 O ATOM 25808 H1 TIP3 8882 80.803 36.417 40.413 1.00 0.00 WT1 H ATOM 25809 H2 TIP3 8882 79.725 35.357 40.488 1.00 0.00 WT1 H ATOM 25810 OH2 TIP3 8883 30.808 70.143 4.556 1.00 0.00 WT1 O ATOM 25811 H1 TIP3 8883 30.870 69.237 4.858 1.00 0.00 WT1 H ATOM 25812 H2 TIP3 8883 30.795 70.663 5.359 1.00 0.00 WT1 H ATOM 25813 OH2 TIP3 8884 49.277 92.496 1.158 1.00 0.00 WT1 O ATOM 25814 H1 TIP3 8884 49.770 92.583 1.974 1.00 0.00 WT1 H ATOM 25815 H2 TIP3 8884 48.940 93.375 0.986 1.00 0.00 WT1 H ATOM 25816 OH2 TIP3 8885 77.671 18.172 1.035 1.00 0.00 WT1 O ATOM 25817 H1 TIP3 8885 77.416 17.322 0.675 1.00 0.00 WT1 H ATOM 25818 H2 TIP3 8885 78.555 18.319 0.700 1.00 0.00 WT1 H ATOM 25819 OH2 TIP3 8886 88.030 14.652 48.251 1.00 0.00 WT1 O ATOM 25820 H1 TIP3 8886 87.491 13.861 48.262 1.00 0.00 WT1 H ATOM 25821 H2 TIP3 8886 88.804 14.423 48.764 1.00 0.00 WT1 H ATOM 25822 OH2 TIP3 8887 24.653 33.073 -13.809 1.00 0.00 WT1 O ATOM 25823 H1 TIP3 8887 25.436 33.485 -14.174 1.00 0.00 WT1 H ATOM 25824 H2 TIP3 8887 24.438 33.603 -13.042 1.00 0.00 WT1 H ATOM 25825 OH2 TIP3 8888 26.853 28.695 40.031 1.00 0.00 WT1 O ATOM 25826 H1 TIP3 8888 26.621 29.572 39.725 1.00 0.00 WT1 H ATOM 25827 H2 TIP3 8888 26.115 28.429 40.580 1.00 0.00 WT1 H ATOM 25828 OH2 TIP3 8889 57.087 94.112 60.350 1.00 0.00 WT1 O ATOM 25829 H1 TIP3 8889 56.524 94.107 59.576 1.00 0.00 WT1 H ATOM 25830 H2 TIP3 8889 57.446 93.226 60.392 1.00 0.00 WT1 H ATOM 25831 OH2 TIP3 8890 60.078 61.544 -16.411 1.00 0.00 WT1 O ATOM 25832 H1 TIP3 8890 59.379 62.038 -15.983 1.00 0.00 WT1 H ATOM 25833 H2 TIP3 8890 60.247 60.808 -15.823 1.00 0.00 WT1 H ATOM 25834 OH2 TIP3 8891 34.332 51.915 43.192 1.00 0.00 WT1 O ATOM 25835 H1 TIP3 8891 34.444 52.569 42.502 1.00 0.00 WT1 H ATOM 25836 H2 TIP3 8891 34.761 52.298 43.957 1.00 0.00 WT1 H ATOM 25837 OH2 TIP3 8893 68.799 21.912 36.641 1.00 0.00 WT1 O ATOM 25838 H1 TIP3 8893 68.695 21.273 35.935 1.00 0.00 WT1 H ATOM 25839 H2 TIP3 8893 68.928 22.747 36.191 1.00 0.00 WT1 H ATOM 25840 OH2 TIP3 8894 80.045 87.558 33.145 1.00 0.00 WT1 O ATOM 25841 H1 TIP3 8894 79.520 88.090 33.743 1.00 0.00 WT1 H ATOM 25842 H2 TIP3 8894 80.232 88.139 32.407 1.00 0.00 WT1 H ATOM 25843 OH2 TIP3 8895 69.853 44.660 29.182 1.00 0.00 WT1 O ATOM 25844 H1 TIP3 8895 70.240 44.069 28.536 1.00 0.00 WT1 H ATOM 25845 H2 TIP3 8895 68.995 44.882 28.820 1.00 0.00 WT1 H ATOM 25846 OH2 TIP3 8896 28.718 20.709 24.269 1.00 0.00 WT1 O ATOM 25847 H1 TIP3 8896 28.975 19.870 23.885 1.00 0.00 WT1 H ATOM 25848 H2 TIP3 8896 28.675 20.539 25.210 1.00 0.00 WT1 H ATOM 25849 OH2 TIP3 8897 38.831 40.177 -18.665 1.00 0.00 WT1 O ATOM 25850 H1 TIP3 8897 39.191 40.030 -19.539 1.00 0.00 WT1 H ATOM 25851 H2 TIP3 8897 38.657 41.117 -18.632 1.00 0.00 WT1 H ATOM 25852 OH2 TIP3 8898 28.110 26.285 22.426 1.00 0.00 WT1 O ATOM 25853 H1 TIP3 8898 28.488 26.969 21.874 1.00 0.00 WT1 H ATOM 25854 H2 TIP3 8898 27.565 26.757 23.055 1.00 0.00 WT1 H ATOM 25855 OH2 TIP3 8899 41.795 8.426 9.072 1.00 0.00 WT1 O ATOM 25856 H1 TIP3 8899 40.981 8.153 8.648 1.00 0.00 WT1 H ATOM 25857 H2 TIP3 8899 41.621 8.331 10.008 1.00 0.00 WT1 H ATOM 25858 OH2 TIP3 8900 44.242 46.923 49.487 1.00 0.00 WT1 O ATOM 25859 H1 TIP3 8900 44.865 47.445 49.993 1.00 0.00 WT1 H ATOM 25860 H2 TIP3 8900 44.624 46.875 48.611 1.00 0.00 WT1 H ATOM 25861 OH2 TIP3 8901 41.363 40.423 15.497 1.00 0.00 WT1 O ATOM 25862 H1 TIP3 8901 41.441 41.231 16.004 1.00 0.00 WT1 H ATOM 25863 H2 TIP3 8901 42.267 40.138 15.359 1.00 0.00 WT1 H ATOM 25864 OH2 TIP3 8902 27.725 5.029 26.597 1.00 0.00 WT1 O ATOM 25865 H1 TIP3 8902 28.071 4.136 26.567 1.00 0.00 WT1 H ATOM 25866 H2 TIP3 8902 26.897 4.981 26.119 1.00 0.00 WT1 H ATOM 25867 OH2 TIP3 8903 73.127 39.145 45.327 1.00 0.00 WT1 O ATOM 25868 H1 TIP3 8903 73.999 38.979 44.970 1.00 0.00 WT1 H ATOM 25869 H2 TIP3 8903 72.771 39.842 44.776 1.00 0.00 WT1 H ATOM 25870 OH2 TIP3 8904 88.140 95.563 48.045 1.00 0.00 WT1 O ATOM 25871 H1 TIP3 8904 88.279 95.788 48.965 1.00 0.00 WT1 H ATOM 25872 H2 TIP3 8904 87.722 96.338 47.669 1.00 0.00 WT1 H ATOM 25873 OH2 TIP3 8905 52.943 13.424 57.639 1.00 0.00 WT1 O ATOM 25874 H1 TIP3 8905 52.482 12.857 57.019 1.00 0.00 WT1 H ATOM 25875 H2 TIP3 8905 52.316 14.118 57.841 1.00 0.00 WT1 H ATOM 25876 OH2 TIP3 8906 50.127 22.561 40.991 1.00 0.00 WT1 O ATOM 25877 H1 TIP3 8906 50.024 22.489 40.043 1.00 0.00 WT1 H ATOM 25878 H2 TIP3 8906 50.864 21.985 41.197 1.00 0.00 WT1 H ATOM 25879 OH2 TIP3 8907 48.522 25.594 -5.813 1.00 0.00 WT1 O ATOM 25880 H1 TIP3 8907 48.713 26.395 -5.325 1.00 0.00 WT1 H ATOM 25881 H2 TIP3 8907 48.126 25.009 -5.166 1.00 0.00 WT1 H ATOM 25882 OH2 TIP3 8908 64.014 95.319 47.777 1.00 0.00 WT1 O ATOM 25883 H1 TIP3 8908 63.796 95.453 46.855 1.00 0.00 WT1 H ATOM 25884 H2 TIP3 8908 63.172 95.159 48.203 1.00 0.00 WT1 H ATOM 25885 OH2 TIP3 8909 31.461 17.913 43.190 1.00 0.00 WT1 O ATOM 25886 H1 TIP3 8909 32.133 18.465 42.790 1.00 0.00 WT1 H ATOM 25887 H2 TIP3 8909 31.940 17.363 43.810 1.00 0.00 WT1 H ATOM 25888 OH2 TIP3 8910 88.164 55.108 23.967 1.00 0.00 WT1 O ATOM 25889 H1 TIP3 8910 87.600 55.665 23.431 1.00 0.00 WT1 H ATOM 25890 H2 TIP3 8910 87.575 54.445 24.326 1.00 0.00 WT1 H ATOM 25891 OH2 TIP3 8911 89.453 53.067 56.121 1.00 0.00 WT1 O ATOM 25892 H1 TIP3 8911 89.546 52.156 55.842 1.00 0.00 WT1 H ATOM 25893 H2 TIP3 8911 88.702 53.394 55.626 1.00 0.00 WT1 H ATOM 25894 OH2 TIP3 8912 55.411 28.265 12.467 1.00 0.00 WT1 O ATOM 25895 H1 TIP3 8912 55.794 27.576 13.010 1.00 0.00 WT1 H ATOM 25896 H2 TIP3 8912 54.553 28.429 12.859 1.00 0.00 WT1 H ATOM 25897 OH2 TIP3 8913 71.372 27.434 14.601 1.00 0.00 WT1 O ATOM 25898 H1 TIP3 8913 71.745 27.895 13.850 1.00 0.00 WT1 H ATOM 25899 H2 TIP3 8913 70.630 27.976 14.870 1.00 0.00 WT1 H ATOM 25900 OH2 TIP3 8914 78.247 52.471 54.937 1.00 0.00 WT1 O ATOM 25901 H1 TIP3 8914 77.628 53.180 55.112 1.00 0.00 WT1 H ATOM 25902 H2 TIP3 8914 77.883 52.017 54.177 1.00 0.00 WT1 H ATOM 25903 OH2 TIP3 8915 73.199 89.528 -7.120 1.00 0.00 WT1 O ATOM 25904 H1 TIP3 8915 73.226 88.572 -7.093 1.00 0.00 WT1 H ATOM 25905 H2 TIP3 8915 72.268 89.744 -7.070 1.00 0.00 WT1 H ATOM 25906 OH2 TIP3 8916 71.031 73.304 14.572 1.00 0.00 WT1 O ATOM 25907 H1 TIP3 8916 70.674 72.907 15.367 1.00 0.00 WT1 H ATOM 25908 H2 TIP3 8916 70.317 73.253 13.937 1.00 0.00 WT1 H ATOM 25909 OH2 TIP3 8917 48.672 24.893 42.120 1.00 0.00 WT1 O ATOM 25910 H1 TIP3 8917 48.383 24.338 42.844 1.00 0.00 WT1 H ATOM 25911 H2 TIP3 8917 49.117 24.293 41.521 1.00 0.00 WT1 H ATOM 25912 OH2 TIP3 8918 39.009 23.578 10.301 1.00 0.00 WT1 O ATOM 25913 H1 TIP3 8918 38.270 24.180 10.385 1.00 0.00 WT1 H ATOM 25914 H2 TIP3 8918 39.410 23.807 9.462 1.00 0.00 WT1 H ATOM 25915 OH2 TIP3 8919 54.016 91.576 49.199 1.00 0.00 WT1 O ATOM 25916 H1 TIP3 8919 53.386 91.245 48.559 1.00 0.00 WT1 H ATOM 25917 H2 TIP3 8919 53.826 92.512 49.260 1.00 0.00 WT1 H ATOM 25918 OH2 TIP3 8920 87.812 96.175 -2.931 1.00 0.00 WT1 O ATOM 25919 H1 TIP3 8920 87.677 95.276 -3.229 1.00 0.00 WT1 H ATOM 25920 H2 TIP3 8920 86.933 96.500 -2.740 1.00 0.00 WT1 H ATOM 25921 OH2 TIP3 8921 31.428 93.239 50.472 1.00 0.00 WT1 O ATOM 25922 H1 TIP3 8921 31.885 92.538 50.936 1.00 0.00 WT1 H ATOM 25923 H2 TIP3 8921 31.478 93.990 51.063 1.00 0.00 WT1 H ATOM 25924 OH2 TIP3 8922 34.995 46.076 35.002 1.00 0.00 WT1 O ATOM 25925 H1 TIP3 8922 35.165 45.162 35.230 1.00 0.00 WT1 H ATOM 25926 H2 TIP3 8922 35.309 46.574 35.758 1.00 0.00 WT1 H ATOM 25927 OH2 TIP3 8923 41.982 37.877 55.421 1.00 0.00 WT1 O ATOM 25928 H1 TIP3 8923 42.281 37.168 54.851 1.00 0.00 WT1 H ATOM 25929 H2 TIP3 8923 42.100 38.671 54.900 1.00 0.00 WT1 H ATOM 25930 OH2 TIP3 8924 71.283 77.586 55.388 1.00 0.00 WT1 O ATOM 25931 H1 TIP3 8924 71.103 76.654 55.261 1.00 0.00 WT1 H ATOM 25932 H2 TIP3 8924 71.306 77.949 54.503 1.00 0.00 WT1 H ATOM 25933 OH2 TIP3 8926 45.048 51.959 50.993 1.00 0.00 WT1 O ATOM 25934 H1 TIP3 8926 45.006 52.750 51.530 1.00 0.00 WT1 H ATOM 25935 H2 TIP3 8926 45.300 52.272 50.124 1.00 0.00 WT1 H ATOM 25936 OH2 TIP3 8927 59.974 91.912 58.679 1.00 0.00 WT1 O ATOM 25937 H1 TIP3 8927 60.157 91.005 58.434 1.00 0.00 WT1 H ATOM 25938 H2 TIP3 8927 59.902 91.893 59.633 1.00 0.00 WT1 H ATOM 25939 OH2 TIP3 8928 56.927 86.190 17.594 1.00 0.00 WT1 O ATOM 25940 H1 TIP3 8928 57.228 86.741 16.871 1.00 0.00 WT1 H ATOM 25941 H2 TIP3 8928 57.089 86.713 18.378 1.00 0.00 WT1 H ATOM 25942 OH2 TIP3 8929 24.468 56.458 31.096 1.00 0.00 WT1 O ATOM 25943 H1 TIP3 8929 25.356 56.102 31.142 1.00 0.00 WT1 H ATOM 25944 H2 TIP3 8929 24.164 56.231 30.217 1.00 0.00 WT1 H ATOM 25945 OH2 TIP3 8930 48.131 14.058 -3.683 1.00 0.00 WT1 O ATOM 25946 H1 TIP3 8930 48.347 13.292 -4.215 1.00 0.00 WT1 H ATOM 25947 H2 TIP3 8930 48.149 13.737 -2.782 1.00 0.00 WT1 H ATOM 25948 OH2 TIP3 8931 29.503 80.029 -2.314 1.00 0.00 WT1 O ATOM 25949 H1 TIP3 8931 29.885 80.381 -1.510 1.00 0.00 WT1 H ATOM 25950 H2 TIP3 8931 30.016 80.428 -3.017 1.00 0.00 WT1 H ATOM 25951 OH2 TIP3 8932 33.104 36.570 53.626 1.00 0.00 WT1 O ATOM 25952 H1 TIP3 8932 32.930 35.634 53.525 1.00 0.00 WT1 H ATOM 25953 H2 TIP3 8932 32.402 36.886 54.194 1.00 0.00 WT1 H ATOM 25954 OH2 TIP3 8933 29.671 84.348 32.963 1.00 0.00 WT1 O ATOM 25955 H1 TIP3 8933 29.380 83.502 32.622 1.00 0.00 WT1 H ATOM 25956 H2 TIP3 8933 29.271 84.406 33.831 1.00 0.00 WT1 H ATOM 25957 OH2 TIP3 8934 69.911 70.685 51.004 1.00 0.00 WT1 O ATOM 25958 H1 TIP3 8934 69.867 69.951 51.617 1.00 0.00 WT1 H ATOM 25959 H2 TIP3 8934 69.547 70.338 50.189 1.00 0.00 WT1 H ATOM 25960 OH2 TIP3 8935 30.023 31.918 10.368 1.00 0.00 WT1 O ATOM 25961 H1 TIP3 8935 29.465 32.176 9.635 1.00 0.00 WT1 H ATOM 25962 H2 TIP3 8935 30.432 32.734 10.657 1.00 0.00 WT1 H ATOM 25963 OH2 TIP3 8936 46.967 46.975 10.185 1.00 0.00 WT1 O ATOM 25964 H1 TIP3 8936 47.324 46.780 11.052 1.00 0.00 WT1 H ATOM 25965 H2 TIP3 8936 47.363 47.812 9.945 1.00 0.00 WT1 H ATOM 25966 OH2 TIP3 8937 21.639 53.657 45.032 1.00 0.00 WT1 O ATOM 25967 H1 TIP3 8937 21.721 52.883 45.589 1.00 0.00 WT1 H ATOM 25968 H2 TIP3 8937 22.411 53.629 44.466 1.00 0.00 WT1 H ATOM 25969 OH2 TIP3 8938 22.638 21.591 56.602 1.00 0.00 WT1 O ATOM 25970 H1 TIP3 8938 23.064 22.446 56.664 1.00 0.00 WT1 H ATOM 25971 H2 TIP3 8938 22.606 21.406 55.664 1.00 0.00 WT1 H ATOM 25972 OH2 TIP3 8939 45.589 68.420 2.956 1.00 0.00 WT1 O ATOM 25973 H1 TIP3 8939 46.181 68.651 3.671 1.00 0.00 WT1 H ATOM 25974 H2 TIP3 8939 45.970 68.839 2.184 1.00 0.00 WT1 H ATOM 25975 OH2 TIP3 8940 87.309 9.948 43.281 1.00 0.00 WT1 O ATOM 25976 H1 TIP3 8940 87.090 9.143 43.751 1.00 0.00 WT1 H ATOM 25977 H2 TIP3 8940 88.106 9.732 42.795 1.00 0.00 WT1 H ATOM 25978 OH2 TIP3 8941 69.247 13.684 5.939 1.00 0.00 WT1 O ATOM 25979 H1 TIP3 8941 69.306 14.589 6.247 1.00 0.00 WT1 H ATOM 25980 H2 TIP3 8941 69.548 13.158 6.680 1.00 0.00 WT1 H ATOM 25981 OH2 TIP3 8942 55.070 83.122 24.269 1.00 0.00 WT1 O ATOM 25982 H1 TIP3 8942 55.235 83.220 25.207 1.00 0.00 WT1 H ATOM 25983 H2 TIP3 8942 54.771 82.217 24.172 1.00 0.00 WT1 H ATOM 25984 OH2 TIP3 8943 29.308 22.144 18.942 1.00 0.00 WT1 O ATOM 25985 H1 TIP3 8943 28.717 21.664 18.362 1.00 0.00 WT1 H ATOM 25986 H2 TIP3 8943 29.139 23.066 18.748 1.00 0.00 WT1 H ATOM 25987 OH2 TIP3 8944 46.368 19.017 62.024 1.00 0.00 WT1 O ATOM 25988 H1 TIP3 8944 46.954 18.471 61.500 1.00 0.00 WT1 H ATOM 25989 H2 TIP3 8944 46.604 19.915 61.791 1.00 0.00 WT1 H ATOM 25990 OH2 TIP3 8945 74.081 37.406 2.138 1.00 0.00 WT1 O ATOM 25991 H1 TIP3 8945 74.361 36.671 2.685 1.00 0.00 WT1 H ATOM 25992 H2 TIP3 8945 74.410 37.194 1.265 1.00 0.00 WT1 H ATOM 25993 OH2 TIP3 8946 69.386 3.799 65.011 1.00 0.00 WT1 O ATOM 25994 H1 TIP3 8946 69.138 3.660 64.097 1.00 0.00 WT1 H ATOM 25995 H2 TIP3 8946 69.560 2.920 65.349 1.00 0.00 WT1 H ATOM 25996 OH2 TIP3 8947 63.622 61.840 -6.241 1.00 0.00 WT1 O ATOM 25997 H1 TIP3 8947 63.176 61.046 -6.537 1.00 0.00 WT1 H ATOM 25998 H2 TIP3 8947 63.696 61.734 -5.293 1.00 0.00 WT1 H ATOM 25999 OH2 TIP3 8948 78.041 36.420 44.644 1.00 0.00 WT1 O ATOM 26000 H1 TIP3 8948 78.624 37.116 44.948 1.00 0.00 WT1 H ATOM 26001 H2 TIP3 8948 78.278 35.660 45.175 1.00 0.00 WT1 H ATOM 26002 OH2 TIP3 8949 70.153 44.635 15.227 1.00 0.00 WT1 O ATOM 26003 H1 TIP3 8949 69.290 44.363 15.538 1.00 0.00 WT1 H ATOM 26004 H2 TIP3 8949 69.971 45.303 14.566 1.00 0.00 WT1 H ATOM 26005 OH2 TIP3 8950 68.117 32.393 21.671 1.00 0.00 WT1 O ATOM 26006 H1 TIP3 8950 68.108 33.331 21.481 1.00 0.00 WT1 H ATOM 26007 H2 TIP3 8950 68.951 32.084 21.317 1.00 0.00 WT1 H ATOM 26008 OH2 TIP3 8951 48.919 31.994 -19.925 1.00 0.00 WT1 O ATOM 26009 H1 TIP3 8951 48.622 31.815 -19.033 1.00 0.00 WT1 H ATOM 26010 H2 TIP3 8951 48.256 32.582 -20.286 1.00 0.00 WT1 H ATOM 26011 OH2 TIP3 8952 53.970 23.719 65.557 1.00 0.00 WT1 O ATOM 26012 H1 TIP3 8952 53.482 24.387 66.038 1.00 0.00 WT1 H ATOM 26013 H2 TIP3 8952 53.728 23.859 64.641 1.00 0.00 WT1 H ATOM 26014 OH2 TIP3 8953 48.464 38.100 15.593 1.00 0.00 WT1 O ATOM 26015 H1 TIP3 8953 48.225 37.179 15.696 1.00 0.00 WT1 H ATOM 26016 H2 TIP3 8953 48.536 38.431 16.488 1.00 0.00 WT1 H ATOM 26017 OH2 TIP3 8954 89.595 78.178 -13.739 1.00 0.00 WT1 O ATOM 26018 H1 TIP3 8954 89.813 78.164 -12.807 1.00 0.00 WT1 H ATOM 26019 H2 TIP3 8954 89.629 77.260 -14.008 1.00 0.00 WT1 H ATOM 26020 OH2 TIP3 8955 80.212 77.262 35.614 1.00 0.00 WT1 O ATOM 26021 H1 TIP3 8955 81.126 77.062 35.412 1.00 0.00 WT1 H ATOM 26022 H2 TIP3 8955 80.214 77.478 36.547 1.00 0.00 WT1 H ATOM 26023 OH2 TIP3 8956 52.575 6.612 12.180 1.00 0.00 WT1 O ATOM 26024 H1 TIP3 8956 52.198 6.591 13.059 1.00 0.00 WT1 H ATOM 26025 H2 TIP3 8956 53.035 7.451 12.136 1.00 0.00 WT1 H ATOM 26026 OH2 TIP3 8957 24.631 38.245 27.982 1.00 0.00 WT1 O ATOM 26027 H1 TIP3 8957 25.098 38.508 27.189 1.00 0.00 WT1 H ATOM 26028 H2 TIP3 8957 24.834 38.931 28.618 1.00 0.00 WT1 H ATOM 26029 OH2 TIP3 8958 63.390 27.654 58.013 1.00 0.00 WT1 O ATOM 26030 H1 TIP3 8958 63.248 28.597 57.934 1.00 0.00 WT1 H ATOM 26031 H2 TIP3 8958 62.978 27.283 57.233 1.00 0.00 WT1 H ATOM 26032 OH2 TIP3 8959 22.949 44.058 27.496 1.00 0.00 WT1 O ATOM 26033 H1 TIP3 8959 22.115 44.461 27.739 1.00 0.00 WT1 H ATOM 26034 H2 TIP3 8959 23.107 44.354 26.600 1.00 0.00 WT1 H ATOM 26035 OH2 TIP3 8960 41.396 2.161 46.026 1.00 0.00 WT1 O ATOM 26036 H1 TIP3 8960 40.494 2.305 45.740 1.00 0.00 WT1 H ATOM 26037 H2 TIP3 8960 41.347 2.159 46.982 1.00 0.00 WT1 H ATOM 26038 OH2 TIP3 8961 21.303 74.499 7.065 1.00 0.00 WT1 O ATOM 26039 H1 TIP3 8961 21.474 75.211 7.682 1.00 0.00 WT1 H ATOM 26040 H2 TIP3 8961 22.104 73.976 7.075 1.00 0.00 WT1 H ATOM 26041 OH2 TIP3 8962 62.437 40.047 -2.492 1.00 0.00 WT1 O ATOM 26042 H1 TIP3 8962 62.474 40.508 -1.653 1.00 0.00 WT1 H ATOM 26043 H2 TIP3 8962 61.813 40.551 -3.015 1.00 0.00 WT1 H ATOM 26044 OH2 TIP3 8963 23.397 94.486 35.490 1.00 0.00 WT1 O ATOM 26045 H1 TIP3 8963 23.263 93.617 35.114 1.00 0.00 WT1 H ATOM 26046 H2 TIP3 8963 22.601 94.655 35.995 1.00 0.00 WT1 H ATOM 26047 OH2 TIP3 8964 82.693 12.300 -16.112 1.00 0.00 WT1 O ATOM 26048 H1 TIP3 8964 82.452 11.755 -16.861 1.00 0.00 WT1 H ATOM 26049 H2 TIP3 8964 81.857 12.596 -15.751 1.00 0.00 WT1 H ATOM 26050 OH2 TIP3 8965 23.789 30.225 53.115 1.00 0.00 WT1 O ATOM 26051 H1 TIP3 8965 23.186 30.232 52.371 1.00 0.00 WT1 H ATOM 26052 H2 TIP3 8965 24.578 30.657 52.788 1.00 0.00 WT1 H ATOM 26053 OH2 TIP3 8966 25.623 47.810 31.556 1.00 0.00 WT1 O ATOM 26054 H1 TIP3 8966 24.809 47.322 31.431 1.00 0.00 WT1 H ATOM 26055 H2 TIP3 8966 26.312 47.198 31.295 1.00 0.00 WT1 H ATOM 26056 OH2 TIP3 8967 81.200 29.059 54.338 1.00 0.00 WT1 O ATOM 26057 H1 TIP3 8967 81.822 28.654 53.734 1.00 0.00 WT1 H ATOM 26058 H2 TIP3 8967 81.358 29.999 54.250 1.00 0.00 WT1 H ATOM 26059 OH2 TIP3 8968 78.096 40.699 4.761 1.00 0.00 WT1 O ATOM 26060 H1 TIP3 8968 78.634 40.970 5.506 1.00 0.00 WT1 H ATOM 26061 H2 TIP3 8968 77.432 40.124 5.141 1.00 0.00 WT1 H ATOM 26062 OH2 TIP3 8969 66.410 77.289 2.999 1.00 0.00 WT1 O ATOM 26063 H1 TIP3 8969 67.118 76.644 2.988 1.00 0.00 WT1 H ATOM 26064 H2 TIP3 8969 66.194 77.393 3.926 1.00 0.00 WT1 H ATOM 26065 OH2 TIP3 8970 27.364 76.072 -8.937 1.00 0.00 WT1 O ATOM 26066 H1 TIP3 8970 28.075 76.388 -9.495 1.00 0.00 WT1 H ATOM 26067 H2 TIP3 8970 27.615 76.341 -8.054 1.00 0.00 WT1 H ATOM 26068 OH2 TIP3 8971 73.579 29.256 -18.868 1.00 0.00 WT1 O ATOM 26069 H1 TIP3 8971 73.578 28.792 -19.705 1.00 0.00 WT1 H ATOM 26070 H2 TIP3 8971 74.443 29.079 -18.496 1.00 0.00 WT1 H ATOM 26071 OH2 TIP3 8972 51.235 32.492 35.156 1.00 0.00 WT1 O ATOM 26072 H1 TIP3 8972 50.571 31.952 35.585 1.00 0.00 WT1 H ATOM 26073 H2 TIP3 8972 51.071 33.377 35.482 1.00 0.00 WT1 H ATOM 26074 OH2 TIP3 8973 66.680 62.785 -5.414 1.00 0.00 WT1 O ATOM 26075 H1 TIP3 8973 66.649 63.344 -6.190 1.00 0.00 WT1 H ATOM 26076 H2 TIP3 8973 65.792 62.436 -5.334 1.00 0.00 WT1 H ATOM 26077 OH2 TIP3 8974 52.232 65.505 55.903 1.00 0.00 WT1 O ATOM 26078 H1 TIP3 8974 52.643 64.971 56.583 1.00 0.00 WT1 H ATOM 26079 H2 TIP3 8974 52.678 65.249 55.096 1.00 0.00 WT1 H ATOM 26080 OH2 TIP3 8975 31.148 14.453 -8.521 1.00 0.00 WT1 O ATOM 26081 H1 TIP3 8975 30.453 13.797 -8.572 1.00 0.00 WT1 H ATOM 26082 H2 TIP3 8975 31.323 14.689 -9.432 1.00 0.00 WT1 H ATOM 26083 OH2 TIP3 8976 39.445 67.110 15.289 1.00 0.00 WT1 O ATOM 26084 H1 TIP3 8976 40.134 66.819 14.692 1.00 0.00 WT1 H ATOM 26085 H2 TIP3 8976 39.624 66.646 16.107 1.00 0.00 WT1 H ATOM 26086 OH2 TIP3 8977 39.833 81.671 19.218 1.00 0.00 WT1 O ATOM 26087 H1 TIP3 8977 39.615 82.003 20.089 1.00 0.00 WT1 H ATOM 26088 H2 TIP3 8977 40.457 80.964 19.380 1.00 0.00 WT1 H ATOM 26089 OH2 TIP3 8978 57.175 3.617 65.921 1.00 0.00 WT1 O ATOM 26090 H1 TIP3 8978 58.011 3.594 66.387 1.00 0.00 WT1 H ATOM 26091 H2 TIP3 8978 56.534 3.858 66.590 1.00 0.00 WT1 H ATOM 26092 OH2 TIP3 8979 64.373 32.431 13.101 1.00 0.00 WT1 O ATOM 26093 H1 TIP3 8979 64.450 31.477 13.071 1.00 0.00 WT1 H ATOM 26094 H2 TIP3 8979 63.818 32.603 13.861 1.00 0.00 WT1 H ATOM 26095 OH2 TIP3 8980 50.597 37.149 48.487 1.00 0.00 WT1 O ATOM 26096 H1 TIP3 8980 51.379 37.695 48.575 1.00 0.00 WT1 H ATOM 26097 H2 TIP3 8980 50.586 36.893 47.565 1.00 0.00 WT1 H ATOM 26098 OH2 TIP3 8981 69.378 41.150 27.733 1.00 0.00 WT1 O ATOM 26099 H1 TIP3 8981 68.767 40.572 27.277 1.00 0.00 WT1 H ATOM 26100 H2 TIP3 8981 68.829 41.850 28.085 1.00 0.00 WT1 H ATOM 26101 OH2 TIP3 8982 85.637 63.702 10.735 1.00 0.00 WT1 O ATOM 26102 H1 TIP3 8982 86.071 63.274 9.997 1.00 0.00 WT1 H ATOM 26103 H2 TIP3 8982 85.009 63.052 11.053 1.00 0.00 WT1 H ATOM 26104 OH2 TIP3 8983 27.079 51.937 -17.673 1.00 0.00 WT1 O ATOM 26105 H1 TIP3 8983 27.745 51.908 -16.986 1.00 0.00 WT1 H ATOM 26106 H2 TIP3 8983 26.277 51.643 -17.242 1.00 0.00 WT1 H ATOM 26107 OH2 TIP3 8984 29.963 73.034 62.710 1.00 0.00 WT1 O ATOM 26108 H1 TIP3 8984 29.642 72.182 62.414 1.00 0.00 WT1 H ATOM 26109 H2 TIP3 8984 29.447 73.227 63.492 1.00 0.00 WT1 H ATOM 26110 OH2 TIP3 8985 67.208 81.167 -8.024 1.00 0.00 WT1 O ATOM 26111 H1 TIP3 8985 67.764 81.260 -7.251 1.00 0.00 WT1 H ATOM 26112 H2 TIP3 8985 67.213 80.229 -8.212 1.00 0.00 WT1 H ATOM 26113 OH2 TIP3 8986 67.398 35.234 47.194 1.00 0.00 WT1 O ATOM 26114 H1 TIP3 8986 66.865 34.894 47.913 1.00 0.00 WT1 H ATOM 26115 H2 TIP3 8986 67.378 36.184 47.310 1.00 0.00 WT1 H ATOM 26116 OH2 TIP3 8987 66.111 30.011 59.590 1.00 0.00 WT1 O ATOM 26117 H1 TIP3 8987 65.894 30.349 58.721 1.00 0.00 WT1 H ATOM 26118 H2 TIP3 8987 65.435 30.373 60.164 1.00 0.00 WT1 H ATOM 26119 OH2 TIP3 8988 28.342 7.935 55.550 1.00 0.00 WT1 O ATOM 26120 H1 TIP3 8988 29.192 7.975 55.988 1.00 0.00 WT1 H ATOM 26121 H2 TIP3 8988 28.475 7.323 54.825 1.00 0.00 WT1 H ATOM 26122 OH2 TIP3 8989 69.730 95.183 18.955 1.00 0.00 WT1 O ATOM 26123 H1 TIP3 8989 69.446 96.093 19.040 1.00 0.00 WT1 H ATOM 26124 H2 TIP3 8989 68.927 94.697 18.767 1.00 0.00 WT1 H ATOM 26125 OH2 TIP3 8990 89.973 62.758 2.106 1.00 0.00 WT1 O ATOM 26126 H1 TIP3 8990 89.692 63.594 2.477 1.00 0.00 WT1 H ATOM 26127 H2 TIP3 8990 90.473 62.340 2.808 1.00 0.00 WT1 H ATOM 26128 OH2 TIP3 8991 38.181 1.591 14.438 1.00 0.00 WT1 O ATOM 26129 H1 TIP3 8991 38.819 2.140 13.982 1.00 0.00 WT1 H ATOM 26130 H2 TIP3 8991 37.940 0.922 13.797 1.00 0.00 WT1 H ATOM 26131 OH2 TIP3 8992 88.341 52.921 48.666 1.00 0.00 WT1 O ATOM 26132 H1 TIP3 8992 88.240 52.410 47.863 1.00 0.00 WT1 H ATOM 26133 H2 TIP3 8992 87.445 53.112 48.944 1.00 0.00 WT1 H ATOM 26134 OH2 TIP3 8993 66.734 71.738 54.306 1.00 0.00 WT1 O ATOM 26135 H1 TIP3 8993 66.430 71.517 55.186 1.00 0.00 WT1 H ATOM 26136 H2 TIP3 8993 66.568 70.949 53.789 1.00 0.00 WT1 H ATOM 26137 OH2 TIP3 8994 59.378 64.453 31.945 1.00 0.00 WT1 O ATOM 26138 H1 TIP3 8994 59.009 63.610 31.679 1.00 0.00 WT1 H ATOM 26139 H2 TIP3 8994 58.658 65.075 31.834 1.00 0.00 WT1 H ATOM 26140 OH2 TIP3 8995 81.772 13.692 -3.957 1.00 0.00 WT1 O ATOM 26141 H1 TIP3 8995 81.102 14.096 -4.508 1.00 0.00 WT1 H ATOM 26142 H2 TIP3 8995 82.601 14.010 -4.315 1.00 0.00 WT1 H ATOM 26143 OH2 TIP3 8996 31.857 31.961 51.647 1.00 0.00 WT1 O ATOM 26144 H1 TIP3 8996 30.912 32.013 51.501 1.00 0.00 WT1 H ATOM 26145 H2 TIP3 8996 32.016 31.042 51.860 1.00 0.00 WT1 H ATOM 26146 OH2 TIP3 8997 81.653 44.048 33.629 1.00 0.00 WT1 O ATOM 26147 H1 TIP3 8997 80.913 43.621 34.060 1.00 0.00 WT1 H ATOM 26148 H2 TIP3 8997 82.282 43.342 33.478 1.00 0.00 WT1 H ATOM 26149 OH2 TIP3 8998 89.480 8.329 51.994 1.00 0.00 WT1 O ATOM 26150 H1 TIP3 8998 89.235 9.112 51.501 1.00 0.00 WT1 H ATOM 26151 H2 TIP3 8998 88.684 7.798 52.014 1.00 0.00 WT1 H ATOM 26152 OH2 TIP3 8999 29.133 44.342 52.496 1.00 0.00 WT1 O ATOM 26153 H1 TIP3 8999 28.550 43.969 53.158 1.00 0.00 WT1 H ATOM 26154 H2 TIP3 8999 29.845 43.707 52.420 1.00 0.00 WT1 H ATOM 26155 OH2 TIP3 9000 59.229 59.946 29.075 1.00 0.00 WT1 O ATOM 26156 H1 TIP3 9000 58.836 59.339 28.448 1.00 0.00 WT1 H ATOM 26157 H2 TIP3 9000 58.635 60.697 29.085 1.00 0.00 WT1 H ATOM 26158 OH2 TIP3 9001 32.107 92.481 5.590 1.00 0.00 WT1 O ATOM 26159 H1 TIP3 9001 31.832 92.892 6.410 1.00 0.00 WT1 H ATOM 26160 H2 TIP3 9001 31.288 92.259 5.147 1.00 0.00 WT1 H ATOM 26161 OH2 TIP3 9002 66.807 38.549 28.496 1.00 0.00 WT1 O ATOM 26162 H1 TIP3 9002 67.012 38.663 27.568 1.00 0.00 WT1 H ATOM 26163 H2 TIP3 9002 66.702 39.440 28.829 1.00 0.00 WT1 H ATOM 26164 OH2 TIP3 9003 81.843 34.066 60.330 1.00 0.00 WT1 O ATOM 26165 H1 TIP3 9003 82.017 35.005 60.384 1.00 0.00 WT1 H ATOM 26166 H2 TIP3 9003 80.907 34.005 60.140 1.00 0.00 WT1 H ATOM 26167 OH2 TIP3 9004 59.943 68.702 36.103 1.00 0.00 WT1 O ATOM 26168 H1 TIP3 9004 60.337 67.862 35.865 1.00 0.00 WT1 H ATOM 26169 H2 TIP3 9004 59.383 68.923 35.359 1.00 0.00 WT1 H ATOM 26170 OH2 TIP3 9005 37.951 66.841 34.283 1.00 0.00 WT1 O ATOM 26171 H1 TIP3 9005 38.273 67.445 34.952 1.00 0.00 WT1 H ATOM 26172 H2 TIP3 9005 38.087 67.304 33.456 1.00 0.00 WT1 H ATOM 26173 OH2 TIP3 9006 85.718 33.932 18.282 1.00 0.00 WT1 O ATOM 26174 H1 TIP3 9006 86.354 34.366 18.851 1.00 0.00 WT1 H ATOM 26175 H2 TIP3 9006 84.974 33.744 18.854 1.00 0.00 WT1 H ATOM 26176 OH2 TIP3 9007 46.545 26.203 -8.136 1.00 0.00 WT1 O ATOM 26177 H1 TIP3 9007 47.174 25.870 -7.497 1.00 0.00 WT1 H ATOM 26178 H2 TIP3 9007 46.625 25.611 -8.884 1.00 0.00 WT1 H ATOM 26179 OH2 TIP3 9008 43.503 42.969 -7.562 1.00 0.00 WT1 O ATOM 26180 H1 TIP3 9008 43.386 43.721 -6.982 1.00 0.00 WT1 H ATOM 26181 H2 TIP3 9008 43.405 42.207 -6.990 1.00 0.00 WT1 H ATOM 26182 OH2 TIP3 9009 68.121 11.328 -14.191 1.00 0.00 WT1 O ATOM 26183 H1 TIP3 9009 67.725 12.068 -13.730 1.00 0.00 WT1 H ATOM 26184 H2 TIP3 9009 68.869 11.706 -14.653 1.00 0.00 WT1 H ATOM 26185 OH2 TIP3 9010 55.757 50.187 -16.065 1.00 0.00 WT1 O ATOM 26186 H1 TIP3 9010 55.181 50.605 -15.425 1.00 0.00 WT1 H ATOM 26187 H2 TIP3 9010 56.633 50.502 -15.841 1.00 0.00 WT1 H ATOM 26188 OH2 TIP3 9011 55.107 60.112 23.482 1.00 0.00 WT1 O ATOM 26189 H1 TIP3 9011 54.620 59.575 22.856 1.00 0.00 WT1 H ATOM 26190 H2 TIP3 9011 54.688 59.937 24.324 1.00 0.00 WT1 H ATOM 26191 OH2 TIP3 9012 31.465 21.243 48.583 1.00 0.00 WT1 O ATOM 26192 H1 TIP3 9012 31.500 20.383 49.001 1.00 0.00 WT1 H ATOM 26193 H2 TIP3 9012 31.946 21.819 49.178 1.00 0.00 WT1 H ATOM 26194 OH2 TIP3 9013 80.320 93.904 53.349 1.00 0.00 WT1 O ATOM 26195 H1 TIP3 9013 80.092 94.660 52.807 1.00 0.00 WT1 H ATOM 26196 H2 TIP3 9013 79.486 93.466 53.514 1.00 0.00 WT1 H ATOM 26197 OH2 TIP3 9014 37.820 90.139 42.411 1.00 0.00 WT1 O ATOM 26198 H1 TIP3 9014 38.674 90.230 42.833 1.00 0.00 WT1 H ATOM 26199 H2 TIP3 9014 37.389 89.433 42.893 1.00 0.00 WT1 H ATOM 26200 OH2 TIP3 9015 48.053 80.639 57.045 1.00 0.00 WT1 O ATOM 26201 H1 TIP3 9015 47.315 80.029 57.063 1.00 0.00 WT1 H ATOM 26202 H2 TIP3 9015 48.122 80.959 57.944 1.00 0.00 WT1 H ATOM 26203 OH2 TIP3 9016 60.895 8.348 41.384 1.00 0.00 WT1 O ATOM 26204 H1 TIP3 9016 60.745 8.807 40.557 1.00 0.00 WT1 H ATOM 26205 H2 TIP3 9016 60.204 8.669 41.964 1.00 0.00 WT1 H ATOM 26206 OH2 TIP3 9017 82.526 19.755 -0.641 1.00 0.00 WT1 O ATOM 26207 H1 TIP3 9017 83.344 19.591 -1.110 1.00 0.00 WT1 H ATOM 26208 H2 TIP3 9017 82.798 20.166 0.180 1.00 0.00 WT1 H ATOM 26209 OH2 TIP3 9018 60.667 44.816 38.209 1.00 0.00 WT1 O ATOM 26210 H1 TIP3 9018 59.874 44.282 38.231 1.00 0.00 WT1 H ATOM 26211 H2 TIP3 9018 60.660 45.220 37.341 1.00 0.00 WT1 H ATOM 26212 OH2 TIP3 9019 70.557 34.726 41.727 1.00 0.00 WT1 O ATOM 26213 H1 TIP3 9019 70.429 34.010 42.350 1.00 0.00 WT1 H ATOM 26214 H2 TIP3 9019 70.077 34.453 40.945 1.00 0.00 WT1 H ATOM 26215 OH2 TIP3 9020 21.719 56.355 14.731 1.00 0.00 WT1 O ATOM 26216 H1 TIP3 9020 21.154 56.195 13.976 1.00 0.00 WT1 H ATOM 26217 H2 TIP3 9020 21.171 56.851 15.340 1.00 0.00 WT1 H ATOM 26218 OH2 TIP3 9021 87.485 14.745 55.267 1.00 0.00 WT1 O ATOM 26219 H1 TIP3 9021 87.058 15.175 54.527 1.00 0.00 WT1 H ATOM 26220 H2 TIP3 9021 88.069 15.412 55.628 1.00 0.00 WT1 H ATOM 26221 OH2 TIP3 9022 27.179 22.865 29.871 1.00 0.00 WT1 O ATOM 26222 H1 TIP3 9022 26.624 23.336 29.249 1.00 0.00 WT1 H ATOM 26223 H2 TIP3 9022 27.800 23.522 30.184 1.00 0.00 WT1 H ATOM 26224 OH2 TIP3 9023 52.182 38.149 7.268 1.00 0.00 WT1 O ATOM 26225 H1 TIP3 9023 52.625 37.843 8.060 1.00 0.00 WT1 H ATOM 26226 H2 TIP3 9023 51.424 38.636 7.591 1.00 0.00 WT1 H ATOM 26227 OH2 TIP3 9024 62.719 7.956 52.556 1.00 0.00 WT1 O ATOM 26228 H1 TIP3 9024 63.428 8.126 53.175 1.00 0.00 WT1 H ATOM 26229 H2 TIP3 9024 62.930 8.495 51.794 1.00 0.00 WT1 H ATOM 26230 OH2 TIP3 9025 63.150 19.709 37.682 1.00 0.00 WT1 O ATOM 26231 H1 TIP3 9025 62.553 18.969 37.787 1.00 0.00 WT1 H ATOM 26232 H2 TIP3 9025 63.213 19.835 36.735 1.00 0.00 WT1 H ATOM 26233 OH2 TIP3 9026 48.548 29.167 66.683 1.00 0.00 WT1 O ATOM 26234 H1 TIP3 9026 48.209 29.410 65.822 1.00 0.00 WT1 H ATOM 26235 H2 TIP3 9026 48.832 29.995 67.072 1.00 0.00 WT1 H ATOM 26236 OH2 TIP3 9027 44.526 77.657 31.564 1.00 0.00 WT1 O ATOM 26237 H1 TIP3 9027 44.442 78.000 30.675 1.00 0.00 WT1 H ATOM 26238 H2 TIP3 9027 45.050 76.862 31.466 1.00 0.00 WT1 H ATOM 26239 OH2 TIP3 9028 49.344 25.367 -1.725 1.00 0.00 WT1 O ATOM 26240 H1 TIP3 9028 49.950 25.631 -2.417 1.00 0.00 WT1 H ATOM 26241 H2 TIP3 9028 49.686 25.786 -0.935 1.00 0.00 WT1 H ATOM 26242 OH2 TIP3 9029 50.116 8.481 7.549 1.00 0.00 WT1 O ATOM 26243 H1 TIP3 9029 49.393 8.755 8.113 1.00 0.00 WT1 H ATOM 26244 H2 TIP3 9029 49.782 8.593 6.659 1.00 0.00 WT1 H ATOM 26245 OH2 TIP3 9030 56.474 46.683 -5.581 1.00 0.00 WT1 O ATOM 26246 H1 TIP3 9030 56.019 46.741 -4.741 1.00 0.00 WT1 H ATOM 26247 H2 TIP3 9030 57.365 46.418 -5.354 1.00 0.00 WT1 H ATOM 26248 OH2 TIP3 9032 31.116 1.868 52.608 1.00 0.00 WT1 O ATOM 26249 H1 TIP3 9032 30.969 2.527 53.287 1.00 0.00 WT1 H ATOM 26250 H2 TIP3 9032 32.019 2.012 52.325 1.00 0.00 WT1 H ATOM 26251 OH2 TIP3 9033 65.690 95.999 40.405 1.00 0.00 WT1 O ATOM 26252 H1 TIP3 9033 66.492 96.509 40.292 1.00 0.00 WT1 H ATOM 26253 H2 TIP3 9033 65.971 95.088 40.314 1.00 0.00 WT1 H ATOM 26254 OH2 TIP3 9034 71.958 63.960 58.915 1.00 0.00 WT1 O ATOM 26255 H1 TIP3 9034 72.079 64.820 58.514 1.00 0.00 WT1 H ATOM 26256 H2 TIP3 9034 72.845 63.620 59.029 1.00 0.00 WT1 H ATOM 26257 OH2 TIP3 9035 43.897 16.300 24.622 1.00 0.00 WT1 O ATOM 26258 H1 TIP3 9035 43.920 15.931 23.739 1.00 0.00 WT1 H ATOM 26259 H2 TIP3 9035 43.346 17.079 24.543 1.00 0.00 WT1 H ATOM 26260 OH2 TIP3 9036 45.178 20.528 58.920 1.00 0.00 WT1 O ATOM 26261 H1 TIP3 9036 46.077 20.482 59.246 1.00 0.00 WT1 H ATOM 26262 H2 TIP3 9036 44.962 21.460 58.942 1.00 0.00 WT1 H ATOM 26263 OH2 TIP3 9037 23.235 29.112 5.647 1.00 0.00 WT1 O ATOM 26264 H1 TIP3 9037 23.257 29.419 4.741 1.00 0.00 WT1 H ATOM 26265 H2 TIP3 9037 22.585 28.409 5.647 1.00 0.00 WT1 H ATOM 26266 OH2 TIP3 9038 24.239 95.679 49.222 1.00 0.00 WT1 O ATOM 26267 H1 TIP3 9038 24.579 96.367 49.794 1.00 0.00 WT1 H ATOM 26268 H2 TIP3 9038 24.979 95.085 49.094 1.00 0.00 WT1 H ATOM 26269 OH2 TIP3 9039 47.705 78.680 28.620 1.00 0.00 WT1 O ATOM 26270 H1 TIP3 9039 47.311 77.808 28.631 1.00 0.00 WT1 H ATOM 26271 H2 TIP3 9039 48.384 78.628 27.948 1.00 0.00 WT1 H ATOM 26272 OH2 TIP3 9040 82.651 60.165 -2.009 1.00 0.00 WT1 O ATOM 26273 H1 TIP3 9040 82.198 59.851 -1.226 1.00 0.00 WT1 H ATOM 26274 H2 TIP3 9040 83.363 60.709 -1.671 1.00 0.00 WT1 H ATOM 26275 OH2 TIP3 9041 30.389 7.069 31.465 1.00 0.00 WT1 O ATOM 26276 H1 TIP3 9041 30.537 7.995 31.275 1.00 0.00 WT1 H ATOM 26277 H2 TIP3 9041 30.983 6.605 30.875 1.00 0.00 WT1 H ATOM 26278 OH2 TIP3 9042 32.662 8.208 11.921 1.00 0.00 WT1 O ATOM 26279 H1 TIP3 9042 33.473 8.085 11.428 1.00 0.00 WT1 H ATOM 26280 H2 TIP3 9042 32.540 9.157 11.950 1.00 0.00 WT1 H ATOM 26281 OH2 TIP3 9043 49.921 1.935 -16.361 1.00 0.00 WT1 O ATOM 26282 H1 TIP3 9043 49.057 1.599 -16.123 1.00 0.00 WT1 H ATOM 26283 H2 TIP3 9043 50.301 2.230 -15.534 1.00 0.00 WT1 H ATOM 26284 OH2 TIP3 9044 49.484 3.092 9.471 1.00 0.00 WT1 O ATOM 26285 H1 TIP3 9044 48.903 2.699 10.122 1.00 0.00 WT1 H ATOM 26286 H2 TIP3 9044 50.252 3.368 9.971 1.00 0.00 WT1 H ATOM 26287 OH2 TIP3 9045 74.469 50.582 33.953 1.00 0.00 WT1 O ATOM 26288 H1 TIP3 9045 73.733 50.327 34.509 1.00 0.00 WT1 H ATOM 26289 H2 TIP3 9045 74.296 51.497 33.730 1.00 0.00 WT1 H ATOM 26290 OH2 TIP3 9046 72.347 18.725 36.695 1.00 0.00 WT1 O ATOM 26291 H1 TIP3 9046 71.917 19.540 36.955 1.00 0.00 WT1 H ATOM 26292 H2 TIP3 9046 71.967 18.060 37.270 1.00 0.00 WT1 H ATOM 26293 OH2 TIP3 9047 82.801 23.664 -17.727 1.00 0.00 WT1 O ATOM 26294 H1 TIP3 9047 83.329 24.093 -17.054 1.00 0.00 WT1 H ATOM 26295 H2 TIP3 9047 83.437 23.194 -18.268 1.00 0.00 WT1 H ATOM 26296 OH2 TIP3 9048 83.536 0.060 10.701 1.00 0.00 WT1 O ATOM 26297 H1 TIP3 9048 83.586 0.844 10.154 1.00 0.00 WT1 H ATOM 26298 H2 TIP3 9048 84.119 -0.568 10.273 1.00 0.00 WT1 H ATOM 26299 OH2 TIP3 9049 27.567 20.652 14.825 1.00 0.00 WT1 O ATOM 26300 H1 TIP3 9049 27.352 21.513 15.184 1.00 0.00 WT1 H ATOM 26301 H2 TIP3 9049 28.323 20.362 15.335 1.00 0.00 WT1 H ATOM 26302 OH2 TIP3 9050 20.816 29.341 41.335 1.00 0.00 WT1 O ATOM 26303 H1 TIP3 9050 21.017 29.507 42.256 1.00 0.00 WT1 H ATOM 26304 H2 TIP3 9050 20.784 30.210 40.936 1.00 0.00 WT1 H ATOM 26305 OH2 TIP3 9051 26.548 70.039 43.423 1.00 0.00 WT1 O ATOM 26306 H1 TIP3 9051 27.031 70.448 42.705 1.00 0.00 WT1 H ATOM 26307 H2 TIP3 9051 26.681 69.099 43.297 1.00 0.00 WT1 H ATOM 26308 OH2 TIP3 9052 74.092 69.636 21.435 1.00 0.00 WT1 O ATOM 26309 H1 TIP3 9052 73.394 70.202 21.764 1.00 0.00 WT1 H ATOM 26310 H2 TIP3 9052 73.804 69.384 20.558 1.00 0.00 WT1 H ATOM 26311 OH2 TIP3 9053 41.936 88.383 -13.721 1.00 0.00 WT1 O ATOM 26312 H1 TIP3 9053 42.841 88.159 -13.938 1.00 0.00 WT1 H ATOM 26313 H2 TIP3 9053 41.615 88.857 -14.488 1.00 0.00 WT1 H ATOM 26314 OH2 TIP3 9054 25.539 56.183 -8.119 1.00 0.00 WT1 O ATOM 26315 H1 TIP3 9054 25.084 56.692 -8.789 1.00 0.00 WT1 H ATOM 26316 H2 TIP3 9054 25.070 56.379 -7.308 1.00 0.00 WT1 H ATOM 26317 OH2 TIP3 9055 49.975 88.633 -17.979 1.00 0.00 WT1 O ATOM 26318 H1 TIP3 9055 49.306 88.012 -18.267 1.00 0.00 WT1 H ATOM 26319 H2 TIP3 9055 49.888 88.653 -17.025 1.00 0.00 WT1 H ATOM 26320 OH2 TIP3 9056 64.930 14.130 23.978 1.00 0.00 WT1 O ATOM 26321 H1 TIP3 9056 65.778 13.688 24.010 1.00 0.00 WT1 H ATOM 26322 H2 TIP3 9056 65.121 14.988 23.600 1.00 0.00 WT1 H ATOM 26323 OH2 TIP3 9057 47.767 66.720 66.981 1.00 0.00 WT1 O ATOM 26324 H1 TIP3 9057 48.652 66.368 67.070 1.00 0.00 WT1 H ATOM 26325 H2 TIP3 9057 47.492 66.458 66.102 1.00 0.00 WT1 H ATOM 26326 OH2 TIP3 9058 26.119 47.329 62.213 1.00 0.00 WT1 O ATOM 26327 H1 TIP3 9058 26.660 48.020 61.831 1.00 0.00 WT1 H ATOM 26328 H2 TIP3 9058 26.429 46.524 61.798 1.00 0.00 WT1 H ATOM 26329 OH2 TIP3 9059 65.721 2.602 51.222 1.00 0.00 WT1 O ATOM 26330 H1 TIP3 9059 65.474 1.924 51.852 1.00 0.00 WT1 H ATOM 26331 H2 TIP3 9059 65.227 2.386 50.431 1.00 0.00 WT1 H ATOM 26332 OH2 TIP3 9060 63.181 41.615 46.571 1.00 0.00 WT1 O ATOM 26333 H1 TIP3 9060 63.028 40.865 47.145 1.00 0.00 WT1 H ATOM 26334 H2 TIP3 9060 62.305 41.937 46.358 1.00 0.00 WT1 H ATOM 26335 OH2 TIP3 9061 24.035 42.014 65.190 1.00 0.00 WT1 O ATOM 26336 H1 TIP3 9061 23.705 41.505 64.450 1.00 0.00 WT1 H ATOM 26337 H2 TIP3 9061 23.678 42.892 65.056 1.00 0.00 WT1 H ATOM 26338 OH2 TIP3 9062 34.269 54.104 41.459 1.00 0.00 WT1 O ATOM 26339 H1 TIP3 9062 34.892 54.792 41.223 1.00 0.00 WT1 H ATOM 26340 H2 TIP3 9062 33.532 54.232 40.862 1.00 0.00 WT1 H ATOM 26341 OH2 TIP3 9063 65.127 44.334 32.528 1.00 0.00 WT1 O ATOM 26342 H1 TIP3 9063 64.417 44.699 31.999 1.00 0.00 WT1 H ATOM 26343 H2 TIP3 9063 65.728 43.950 31.891 1.00 0.00 WT1 H ATOM 26344 OH2 TIP3 9066 32.016 86.333 15.543 1.00 0.00 WT1 O ATOM 26345 H1 TIP3 9066 32.359 86.838 16.280 1.00 0.00 WT1 H ATOM 26346 H2 TIP3 9066 32.136 86.903 14.784 1.00 0.00 WT1 H ATOM 26347 OH2 TIP3 9067 86.936 75.707 11.318 1.00 0.00 WT1 O ATOM 26348 H1 TIP3 9067 86.292 75.754 12.024 1.00 0.00 WT1 H ATOM 26349 H2 TIP3 9067 87.729 75.373 11.739 1.00 0.00 WT1 H ATOM 26350 OH2 TIP3 9070 24.881 34.378 62.742 1.00 0.00 WT1 O ATOM 26351 H1 TIP3 9070 25.157 34.917 62.001 1.00 0.00 WT1 H ATOM 26352 H2 TIP3 9070 24.253 34.924 63.216 1.00 0.00 WT1 H ATOM 26353 OH2 TIP3 9071 21.032 42.360 17.543 1.00 0.00 WT1 O ATOM 26354 H1 TIP3 9071 21.854 42.054 17.160 1.00 0.00 WT1 H ATOM 26355 H2 TIP3 9071 21.231 42.486 18.470 1.00 0.00 WT1 H ATOM 26356 OH2 TIP3 9072 55.603 29.010 15.690 1.00 0.00 WT1 O ATOM 26357 H1 TIP3 9072 54.757 29.060 15.245 1.00 0.00 WT1 H ATOM 26358 H2 TIP3 9072 55.577 29.717 16.334 1.00 0.00 WT1 H ATOM 26359 OH2 TIP3 9073 69.517 87.216 3.944 1.00 0.00 WT1 O ATOM 26360 H1 TIP3 9073 68.714 87.309 4.458 1.00 0.00 WT1 H ATOM 26361 H2 TIP3 9073 69.875 86.369 4.211 1.00 0.00 WT1 H ATOM 26362 OH2 TIP3 9074 67.512 24.955 -13.669 1.00 0.00 WT1 O ATOM 26363 H1 TIP3 9074 67.277 25.882 -13.629 1.00 0.00 WT1 H ATOM 26364 H2 TIP3 9074 66.673 24.494 -13.659 1.00 0.00 WT1 H ATOM 26365 OH2 TIP3 9075 27.786 78.878 9.753 1.00 0.00 WT1 O ATOM 26366 H1 TIP3 9075 28.360 79.617 9.956 1.00 0.00 WT1 H ATOM 26367 H2 TIP3 9075 27.811 78.332 10.539 1.00 0.00 WT1 H ATOM 26368 OH2 TIP3 9076 81.621 67.317 33.721 1.00 0.00 WT1 O ATOM 26369 H1 TIP3 9076 80.844 67.871 33.802 1.00 0.00 WT1 H ATOM 26370 H2 TIP3 9076 82.118 67.482 34.522 1.00 0.00 WT1 H ATOM 26371 OH2 TIP3 9078 76.978 40.824 53.159 1.00 0.00 WT1 O ATOM 26372 H1 TIP3 9078 76.528 41.011 52.335 1.00 0.00 WT1 H ATOM 26373 H2 TIP3 9078 77.023 39.868 53.196 1.00 0.00 WT1 H ATOM 26374 OH2 TIP3 9079 86.403 42.012 55.489 1.00 0.00 WT1 O ATOM 26375 H1 TIP3 9079 86.546 42.277 56.398 1.00 0.00 WT1 H ATOM 26376 H2 TIP3 9079 85.487 42.230 55.317 1.00 0.00 WT1 H ATOM 26377 OH2 TIP3 9080 42.617 92.960 5.607 1.00 0.00 WT1 O ATOM 26378 H1 TIP3 9080 43.468 93.207 5.246 1.00 0.00 WT1 H ATOM 26379 H2 TIP3 9080 42.019 92.995 4.861 1.00 0.00 WT1 H ATOM 26380 OH2 TIP3 9081 86.501 27.061 -12.178 1.00 0.00 WT1 O ATOM 26381 H1 TIP3 9081 86.253 26.870 -13.082 1.00 0.00 WT1 H ATOM 26382 H2 TIP3 9081 86.217 27.964 -12.037 1.00 0.00 WT1 H ATOM 26383 OH2 TIP3 9082 46.811 58.165 9.316 1.00 0.00 WT1 O ATOM 26384 H1 TIP3 9082 47.511 58.695 9.697 1.00 0.00 WT1 H ATOM 26385 H2 TIP3 9082 47.159 57.880 8.471 1.00 0.00 WT1 H ATOM 26386 OH2 TIP3 9083 56.952 62.460 39.824 1.00 0.00 WT1 O ATOM 26387 H1 TIP3 9083 57.852 62.156 39.712 1.00 0.00 WT1 H ATOM 26388 H2 TIP3 9083 56.448 61.963 39.180 1.00 0.00 WT1 H ATOM 26389 OH2 TIP3 9084 44.206 91.716 19.296 1.00 0.00 WT1 O ATOM 26390 H1 TIP3 9084 44.872 91.284 18.761 1.00 0.00 WT1 H ATOM 26391 H2 TIP3 9084 44.305 91.326 20.164 1.00 0.00 WT1 H ATOM 26392 OH2 TIP3 9085 90.075 73.430 0.128 1.00 0.00 WT1 O ATOM 26393 H1 TIP3 9085 90.435 72.668 -0.326 1.00 0.00 WT1 H ATOM 26394 H2 TIP3 9085 89.606 73.063 0.877 1.00 0.00 WT1 H ATOM 26395 OH2 TIP3 9086 56.757 45.038 -16.812 1.00 0.00 WT1 O ATOM 26396 H1 TIP3 9086 57.200 45.873 -16.965 1.00 0.00 WT1 H ATOM 26397 H2 TIP3 9086 57.013 44.491 -17.554 1.00 0.00 WT1 H ATOM 26398 OH2 TIP3 9087 80.397 32.642 45.919 1.00 0.00 WT1 O ATOM 26399 H1 TIP3 9087 81.354 32.661 45.937 1.00 0.00 WT1 H ATOM 26400 H2 TIP3 9087 80.138 32.739 46.835 1.00 0.00 WT1 H ATOM 26401 OH2 TIP3 9088 86.103 9.945 57.024 1.00 0.00 WT1 O ATOM 26402 H1 TIP3 9088 86.335 10.871 57.092 1.00 0.00 WT1 H ATOM 26403 H2 TIP3 9088 85.883 9.820 56.101 1.00 0.00 WT1 H ATOM 26404 OH2 TIP3 9089 70.955 34.379 29.596 1.00 0.00 WT1 O ATOM 26405 H1 TIP3 9089 71.516 35.153 29.552 1.00 0.00 WT1 H ATOM 26406 H2 TIP3 9089 71.559 33.640 29.530 1.00 0.00 WT1 H ATOM 26407 OH2 TIP3 9090 89.890 83.629 24.002 1.00 0.00 WT1 O ATOM 26408 H1 TIP3 9090 89.465 84.135 24.695 1.00 0.00 WT1 H ATOM 26409 H2 TIP3 9090 89.199 83.477 23.357 1.00 0.00 WT1 H ATOM 26410 OH2 TIP3 9091 87.262 31.814 42.888 1.00 0.00 WT1 O ATOM 26411 H1 TIP3 9091 87.597 31.020 43.305 1.00 0.00 WT1 H ATOM 26412 H2 TIP3 9091 87.783 32.521 43.268 1.00 0.00 WT1 H ATOM 26413 OH2 TIP3 9092 21.914 45.046 37.158 1.00 0.00 WT1 O ATOM 26414 H1 TIP3 9092 22.118 45.139 38.088 1.00 0.00 WT1 H ATOM 26415 H2 TIP3 9092 22.630 45.496 36.709 1.00 0.00 WT1 H ATOM 26416 OH2 TIP3 9093 47.812 68.376 -11.846 1.00 0.00 WT1 O ATOM 26417 H1 TIP3 9093 48.614 67.883 -11.674 1.00 0.00 WT1 H ATOM 26418 H2 TIP3 9093 47.116 67.844 -11.460 1.00 0.00 WT1 H ATOM 26419 OH2 TIP3 9094 80.455 2.642 -3.871 1.00 0.00 WT1 O ATOM 26420 H1 TIP3 9094 80.055 3.478 -3.633 1.00 0.00 WT1 H ATOM 26421 H2 TIP3 9094 80.858 2.329 -3.061 1.00 0.00 WT1 H ATOM 26422 OH2 TIP3 9095 26.267 60.370 34.864 1.00 0.00 WT1 O ATOM 26423 H1 TIP3 9095 26.894 60.755 35.476 1.00 0.00 WT1 H ATOM 26424 H2 TIP3 9095 26.774 60.216 34.067 1.00 0.00 WT1 H ATOM 26425 OH2 TIP3 9096 62.282 77.447 46.794 1.00 0.00 WT1 O ATOM 26426 H1 TIP3 9096 62.089 76.879 46.048 1.00 0.00 WT1 H ATOM 26427 H2 TIP3 9096 61.427 77.771 47.077 1.00 0.00 WT1 H ATOM 26428 OH2 TIP3 9097 76.302 63.744 21.487 1.00 0.00 WT1 O ATOM 26429 H1 TIP3 9097 75.660 63.274 22.018 1.00 0.00 WT1 H ATOM 26430 H2 TIP3 9097 77.149 63.407 21.778 1.00 0.00 WT1 H ATOM 26431 OH2 TIP3 9098 88.559 72.118 21.652 1.00 0.00 WT1 O ATOM 26432 H1 TIP3 9098 88.737 71.456 20.984 1.00 0.00 WT1 H ATOM 26433 H2 TIP3 9098 87.761 71.814 22.085 1.00 0.00 WT1 H ATOM 26434 OH2 TIP3 9099 45.142 43.672 57.117 1.00 0.00 WT1 O ATOM 26435 H1 TIP3 9099 44.536 44.021 56.464 1.00 0.00 WT1 H ATOM 26436 H2 TIP3 9099 44.921 44.137 57.924 1.00 0.00 WT1 H ATOM 26437 OH2 TIP3 9100 64.287 80.411 0.042 1.00 0.00 WT1 O ATOM 26438 H1 TIP3 9100 64.177 79.831 0.796 1.00 0.00 WT1 H ATOM 26439 H2 TIP3 9100 65.038 80.050 -0.431 1.00 0.00 WT1 H ATOM 26440 OH2 TIP3 9101 55.646 21.895 58.950 1.00 0.00 WT1 O ATOM 26441 H1 TIP3 9101 56.074 21.297 58.337 1.00 0.00 WT1 H ATOM 26442 H2 TIP3 9101 55.178 22.516 58.392 1.00 0.00 WT1 H ATOM 26443 OH2 TIP3 9102 87.867 43.478 31.798 1.00 0.00 WT1 O ATOM 26444 H1 TIP3 9102 87.017 43.234 31.432 1.00 0.00 WT1 H ATOM 26445 H2 TIP3 9102 88.060 44.331 31.408 1.00 0.00 WT1 H ATOM 26446 OH2 TIP3 9103 74.503 55.203 21.015 1.00 0.00 WT1 O ATOM 26447 H1 TIP3 9103 73.574 55.286 21.233 1.00 0.00 WT1 H ATOM 26448 H2 TIP3 9103 74.625 55.778 20.260 1.00 0.00 WT1 H ATOM 26449 OH2 TIP3 9104 77.636 32.475 36.974 1.00 0.00 WT1 O ATOM 26450 H1 TIP3 9104 77.167 33.219 37.352 1.00 0.00 WT1 H ATOM 26451 H2 TIP3 9104 77.131 31.709 37.249 1.00 0.00 WT1 H ATOM 26452 OH2 TIP3 9105 42.455 32.331 5.382 1.00 0.00 WT1 O ATOM 26453 H1 TIP3 9105 42.667 31.945 4.532 1.00 0.00 WT1 H ATOM 26454 H2 TIP3 9105 42.981 31.835 6.009 1.00 0.00 WT1 H ATOM 26455 OH2 TIP3 9106 39.674 34.264 11.919 1.00 0.00 WT1 O ATOM 26456 H1 TIP3 9106 39.625 35.183 12.182 1.00 0.00 WT1 H ATOM 26457 H2 TIP3 9106 38.882 33.868 12.281 1.00 0.00 WT1 H ATOM 26458 OH2 TIP3 9107 34.159 78.915 18.635 1.00 0.00 WT1 O ATOM 26459 H1 TIP3 9107 34.534 79.226 19.458 1.00 0.00 WT1 H ATOM 26460 H2 TIP3 9107 33.215 79.030 18.742 1.00 0.00 WT1 H ATOM 26461 OH2 TIP3 9108 58.884 31.429 56.870 1.00 0.00 WT1 O ATOM 26462 H1 TIP3 9108 58.335 32.029 57.374 1.00 0.00 WT1 H ATOM 26463 H2 TIP3 9108 58.393 31.275 56.062 1.00 0.00 WT1 H ATOM 26464 OH2 TIP3 9109 65.118 10.813 23.499 1.00 0.00 WT1 O ATOM 26465 H1 TIP3 9109 65.369 10.920 24.417 1.00 0.00 WT1 H ATOM 26466 H2 TIP3 9109 65.400 11.625 23.077 1.00 0.00 WT1 H ATOM 26467 OH2 TIP3 9110 60.104 60.373 56.644 1.00 0.00 WT1 O ATOM 26468 H1 TIP3 9110 59.902 59.458 56.837 1.00 0.00 WT1 H ATOM 26469 H2 TIP3 9110 59.401 60.868 57.063 1.00 0.00 WT1 H ATOM 26470 OH2 TIP3 9111 75.906 36.807 66.635 1.00 0.00 WT1 O ATOM 26471 H1 TIP3 9111 75.364 36.144 67.064 1.00 0.00 WT1 H ATOM 26472 H2 TIP3 9111 75.541 36.883 65.754 1.00 0.00 WT1 H ATOM 26473 OH2 TIP3 9112 37.196 44.709 10.189 1.00 0.00 WT1 O ATOM 26474 H1 TIP3 9112 38.024 45.164 10.032 1.00 0.00 WT1 H ATOM 26475 H2 TIP3 9112 36.536 45.402 10.178 1.00 0.00 WT1 H ATOM 26476 OH2 TIP3 9113 61.105 83.581 44.796 1.00 0.00 WT1 O ATOM 26477 H1 TIP3 9113 61.411 83.059 44.055 1.00 0.00 WT1 H ATOM 26478 H2 TIP3 9113 60.227 83.247 44.979 1.00 0.00 WT1 H ATOM 26479 OH2 TIP3 9114 85.976 7.042 36.996 1.00 0.00 WT1 O ATOM 26480 H1 TIP3 9114 85.995 6.127 36.715 1.00 0.00 WT1 H ATOM 26481 H2 TIP3 9114 86.006 7.544 36.181 1.00 0.00 WT1 H ATOM 26482 OH2 TIP3 9115 41.362 16.417 46.561 1.00 0.00 WT1 O ATOM 26483 H1 TIP3 9115 41.114 15.893 45.799 1.00 0.00 WT1 H ATOM 26484 H2 TIP3 9115 42.193 16.823 46.314 1.00 0.00 WT1 H ATOM 26485 OH2 TIP3 9116 39.933 3.719 50.379 1.00 0.00 WT1 O ATOM 26486 H1 TIP3 9116 40.743 3.522 50.850 1.00 0.00 WT1 H ATOM 26487 H2 TIP3 9116 39.450 4.302 50.964 1.00 0.00 WT1 H ATOM 26488 OH2 TIP3 9117 38.377 92.589 9.679 1.00 0.00 WT1 O ATOM 26489 H1 TIP3 9117 38.766 91.760 9.400 1.00 0.00 WT1 H ATOM 26490 H2 TIP3 9117 37.820 92.354 10.421 1.00 0.00 WT1 H ATOM 26491 OH2 TIP3 9118 31.691 50.390 37.351 1.00 0.00 WT1 O ATOM 26492 H1 TIP3 9118 31.960 49.573 36.930 1.00 0.00 WT1 H ATOM 26493 H2 TIP3 9118 30.977 50.718 36.804 1.00 0.00 WT1 H ATOM 26494 OH2 TIP3 9119 29.642 37.160 66.846 1.00 0.00 WT1 O ATOM 26495 H1 TIP3 9119 29.880 36.919 67.742 1.00 0.00 WT1 H ATOM 26496 H2 TIP3 9119 30.224 37.890 66.632 1.00 0.00 WT1 H ATOM 26497 OH2 TIP3 9120 47.139 24.022 -0.688 1.00 0.00 WT1 O ATOM 26498 H1 TIP3 9120 47.829 24.554 -1.087 1.00 0.00 WT1 H ATOM 26499 H2 TIP3 9120 46.638 23.684 -1.430 1.00 0.00 WT1 H ATOM 26500 OH2 TIP3 9121 20.818 40.293 -9.802 1.00 0.00 WT1 O ATOM 26501 H1 TIP3 9121 21.765 40.421 -9.736 1.00 0.00 WT1 H ATOM 26502 H2 TIP3 9121 20.456 41.178 -9.796 1.00 0.00 WT1 H ATOM 26503 OH2 TIP3 9122 44.831 10.128 11.249 1.00 0.00 WT1 O ATOM 26504 H1 TIP3 9122 45.645 9.750 11.582 1.00 0.00 WT1 H ATOM 26505 H2 TIP3 9122 44.984 10.240 10.311 1.00 0.00 WT1 H ATOM 26506 OH2 TIP3 9123 21.821 47.836 27.234 1.00 0.00 WT1 O ATOM 26507 H1 TIP3 9123 21.728 48.637 26.719 1.00 0.00 WT1 H ATOM 26508 H2 TIP3 9123 21.070 47.843 27.828 1.00 0.00 WT1 H ATOM 26509 OH2 TIP3 9124 83.181 82.799 48.088 1.00 0.00 WT1 O ATOM 26510 H1 TIP3 9124 83.190 82.053 48.688 1.00 0.00 WT1 H ATOM 26511 H2 TIP3 9124 83.736 82.526 47.358 1.00 0.00 WT1 H ATOM 26512 OH2 TIP3 9125 44.485 56.597 17.136 1.00 0.00 WT1 O ATOM 26513 H1 TIP3 9125 45.178 57.245 17.264 1.00 0.00 WT1 H ATOM 26514 H2 TIP3 9125 44.905 55.757 17.322 1.00 0.00 WT1 H ATOM 26515 OH2 TIP3 9126 76.104 38.736 -5.148 1.00 0.00 WT1 O ATOM 26516 H1 TIP3 9126 76.157 38.842 -6.098 1.00 0.00 WT1 H ATOM 26517 H2 TIP3 9126 76.709 39.390 -4.799 1.00 0.00 WT1 H ATOM 26518 OH2 TIP3 9127 22.371 25.872 -13.406 1.00 0.00 WT1 O ATOM 26519 H1 TIP3 9127 21.415 25.927 -13.391 1.00 0.00 WT1 H ATOM 26520 H2 TIP3 9127 22.585 25.663 -14.316 1.00 0.00 WT1 H ATOM 26521 OH2 TIP3 9128 70.810 41.547 8.676 1.00 0.00 WT1 O ATOM 26522 H1 TIP3 9128 71.462 41.467 9.373 1.00 0.00 WT1 H ATOM 26523 H2 TIP3 9128 70.341 42.357 8.878 1.00 0.00 WT1 H ATOM 26524 OH2 TIP3 9129 72.378 0.724 17.424 1.00 0.00 WT1 O ATOM 26525 H1 TIP3 9129 71.453 0.969 17.405 1.00 0.00 WT1 H ATOM 26526 H2 TIP3 9129 72.843 1.551 17.552 1.00 0.00 WT1 H ATOM 26527 OH2 TIP3 9130 27.578 3.873 -7.904 1.00 0.00 WT1 O ATOM 26528 H1 TIP3 9130 27.544 3.713 -6.961 1.00 0.00 WT1 H ATOM 26529 H2 TIP3 9130 26.663 3.847 -8.185 1.00 0.00 WT1 H ATOM 26530 OH2 TIP3 9131 85.227 17.318 60.173 1.00 0.00 WT1 O ATOM 26531 H1 TIP3 9131 85.965 16.801 59.853 1.00 0.00 WT1 H ATOM 26532 H2 TIP3 9131 85.022 17.915 59.453 1.00 0.00 WT1 H ATOM 26533 OH2 TIP3 9132 21.849 38.290 22.316 1.00 0.00 WT1 O ATOM 26534 H1 TIP3 9132 21.794 39.208 22.580 1.00 0.00 WT1 H ATOM 26535 H2 TIP3 9132 21.078 37.880 22.708 1.00 0.00 WT1 H ATOM 26536 OH2 TIP3 9134 21.074 2.885 38.499 1.00 0.00 WT1 O ATOM 26537 H1 TIP3 9134 20.294 2.665 37.989 1.00 0.00 WT1 H ATOM 26538 H2 TIP3 9134 20.756 3.474 39.182 1.00 0.00 WT1 H ATOM 26539 OH2 TIP3 9135 48.882 36.147 43.157 1.00 0.00 WT1 O ATOM 26540 H1 TIP3 9135 48.755 35.858 44.061 1.00 0.00 WT1 H ATOM 26541 H2 TIP3 9135 48.414 36.980 43.104 1.00 0.00 WT1 H ATOM 26542 OH2 TIP3 9136 49.496 24.194 -10.668 1.00 0.00 WT1 O ATOM 26543 H1 TIP3 9136 49.718 23.414 -10.160 1.00 0.00 WT1 H ATOM 26544 H2 TIP3 9136 48.652 24.478 -10.316 1.00 0.00 WT1 H ATOM 26545 OH2 TIP3 9138 34.782 52.772 55.615 1.00 0.00 WT1 O ATOM 26546 H1 TIP3 9138 34.087 53.385 55.852 1.00 0.00 WT1 H ATOM 26547 H2 TIP3 9138 35.296 53.235 54.954 1.00 0.00 WT1 H ATOM 26548 OH2 TIP3 9139 60.704 32.976 55.637 1.00 0.00 WT1 O ATOM 26549 H1 TIP3 9139 60.044 33.581 55.297 1.00 0.00 WT1 H ATOM 26550 H2 TIP3 9139 60.198 32.276 56.049 1.00 0.00 WT1 H ATOM 26551 OH2 TIP3 9140 49.411 36.562 -4.310 1.00 0.00 WT1 O ATOM 26552 H1 TIP3 9140 50.337 36.607 -4.072 1.00 0.00 WT1 H ATOM 26553 H2 TIP3 9140 49.051 37.405 -4.034 1.00 0.00 WT1 H ATOM 26554 OH2 TIP3 9141 20.804 37.632 31.597 1.00 0.00 WT1 O ATOM 26555 H1 TIP3 9141 21.338 37.581 30.804 1.00 0.00 WT1 H ATOM 26556 H2 TIP3 9141 19.913 37.446 31.299 1.00 0.00 WT1 H ATOM 26557 OH2 TIP3 9142 47.332 12.893 50.992 1.00 0.00 WT1 O ATOM 26558 H1 TIP3 9142 47.118 13.630 50.420 1.00 0.00 WT1 H ATOM 26559 H2 TIP3 9142 46.489 12.609 51.345 1.00 0.00 WT1 H ATOM 26560 OH2 TIP3 9144 55.630 60.274 62.294 1.00 0.00 WT1 O ATOM 26561 H1 TIP3 9144 56.397 59.929 62.752 1.00 0.00 WT1 H ATOM 26562 H2 TIP3 9144 55.014 59.541 62.270 1.00 0.00 WT1 H ATOM 26563 OH2 TIP3 9145 65.091 23.070 45.055 1.00 0.00 WT1 O ATOM 26564 H1 TIP3 9145 65.268 23.965 45.343 1.00 0.00 WT1 H ATOM 26565 H2 TIP3 9145 65.036 23.131 44.101 1.00 0.00 WT1 H ATOM 26566 OH2 TIP3 9146 65.916 39.980 -11.251 1.00 0.00 WT1 O ATOM 26567 H1 TIP3 9146 66.387 39.691 -12.032 1.00 0.00 WT1 H ATOM 26568 H2 TIP3 9146 65.002 39.755 -11.426 1.00 0.00 WT1 H ATOM 26569 OH2 TIP3 9147 40.351 76.148 32.340 1.00 0.00 WT1 O ATOM 26570 H1 TIP3 9147 40.715 76.431 33.179 1.00 0.00 WT1 H ATOM 26571 H2 TIP3 9147 40.785 75.315 32.159 1.00 0.00 WT1 H ATOM 26572 OH2 TIP3 9148 73.910 64.076 30.395 1.00 0.00 WT1 O ATOM 26573 H1 TIP3 9148 73.234 64.681 30.089 1.00 0.00 WT1 H ATOM 26574 H2 TIP3 9148 73.497 63.596 31.112 1.00 0.00 WT1 H ATOM 26575 OH2 TIP3 9149 31.562 9.867 50.496 1.00 0.00 WT1 O ATOM 26576 H1 TIP3 9149 31.050 9.083 50.693 1.00 0.00 WT1 H ATOM 26577 H2 TIP3 9149 32.341 9.789 51.046 1.00 0.00 WT1 H ATOM 26578 OH2 TIP3 9150 48.512 80.996 43.697 1.00 0.00 WT1 O ATOM 26579 H1 TIP3 9150 49.182 80.839 44.362 1.00 0.00 WT1 H ATOM 26580 H2 TIP3 9150 47.893 80.273 43.804 1.00 0.00 WT1 H ATOM 26581 OH2 TIP3 9152 90.447 35.209 38.351 1.00 0.00 WT1 O ATOM 26582 H1 TIP3 9152 90.359 35.753 39.135 1.00 0.00 WT1 H ATOM 26583 H2 TIP3 9152 90.264 34.320 38.654 1.00 0.00 WT1 H ATOM 26584 OH2 TIP3 9153 73.931 50.159 15.605 1.00 0.00 WT1 O ATOM 26585 H1 TIP3 9153 73.356 50.417 16.325 1.00 0.00 WT1 H ATOM 26586 H2 TIP3 9153 73.380 50.218 14.825 1.00 0.00 WT1 H ATOM 26587 OH2 TIP3 9154 86.985 20.457 36.442 1.00 0.00 WT1 O ATOM 26588 H1 TIP3 9154 87.904 20.206 36.537 1.00 0.00 WT1 H ATOM 26589 H2 TIP3 9154 86.992 21.143 35.774 1.00 0.00 WT1 H ATOM 26590 OH2 TIP3 9155 73.620 40.635 23.503 1.00 0.00 WT1 O ATOM 26591 H1 TIP3 9155 74.177 41.271 23.054 1.00 0.00 WT1 H ATOM 26592 H2 TIP3 9155 72.794 41.097 23.642 1.00 0.00 WT1 H ATOM 26593 OH2 TIP3 9156 54.228 94.104 -3.659 1.00 0.00 WT1 O ATOM 26594 H1 TIP3 9156 53.636 93.356 -3.585 1.00 0.00 WT1 H ATOM 26595 H2 TIP3 9156 54.844 93.856 -4.349 1.00 0.00 WT1 H ATOM 26596 OH2 TIP3 9157 89.254 29.763 14.637 1.00 0.00 WT1 O ATOM 26597 H1 TIP3 9157 88.633 30.358 14.217 1.00 0.00 WT1 H ATOM 26598 H2 TIP3 9157 88.732 28.996 14.872 1.00 0.00 WT1 H ATOM 26599 OH2 TIP3 9158 21.062 74.847 60.747 1.00 0.00 WT1 O ATOM 26600 H1 TIP3 9158 21.633 75.473 61.193 1.00 0.00 WT1 H ATOM 26601 H2 TIP3 9158 20.879 74.178 61.406 1.00 0.00 WT1 H ATOM 26602 OH2 TIP3 9159 70.668 66.221 44.271 1.00 0.00 WT1 O ATOM 26603 H1 TIP3 9159 69.897 66.467 43.761 1.00 0.00 WT1 H ATOM 26604 H2 TIP3 9159 70.487 65.327 44.564 1.00 0.00 WT1 H ATOM 26605 OH2 TIP3 9160 52.263 42.143 10.304 1.00 0.00 WT1 O ATOM 26606 H1 TIP3 9160 52.215 42.501 9.418 1.00 0.00 WT1 H ATOM 26607 H2 TIP3 9160 51.374 41.838 10.488 1.00 0.00 WT1 H ATOM 26608 OH2 TIP3 9161 21.958 45.502 49.390 1.00 0.00 WT1 O ATOM 26609 H1 TIP3 9161 22.567 45.713 50.098 1.00 0.00 WT1 H ATOM 26610 H2 TIP3 9161 21.193 45.135 49.834 1.00 0.00 WT1 H ATOM 26611 OH2 TIP3 9162 66.926 27.708 41.098 1.00 0.00 WT1 O ATOM 26612 H1 TIP3 9162 66.948 26.889 41.592 1.00 0.00 WT1 H ATOM 26613 H2 TIP3 9162 66.481 28.326 41.677 1.00 0.00 WT1 H ATOM 26614 OH2 TIP3 9163 33.887 20.675 59.414 1.00 0.00 WT1 O ATOM 26615 H1 TIP3 9163 33.429 21.492 59.216 1.00 0.00 WT1 H ATOM 26616 H2 TIP3 9163 34.041 20.273 58.559 1.00 0.00 WT1 H ATOM 26617 OH2 TIP3 9164 25.307 77.398 37.086 1.00 0.00 WT1 O ATOM 26618 H1 TIP3 9164 24.817 77.527 37.898 1.00 0.00 WT1 H ATOM 26619 H2 TIP3 9164 25.267 78.246 36.643 1.00 0.00 WT1 H ATOM 26620 OH2 TIP3 9165 34.203 50.013 38.269 1.00 0.00 WT1 O ATOM 26621 H1 TIP3 9165 33.381 50.157 37.801 1.00 0.00 WT1 H ATOM 26622 H2 TIP3 9165 34.831 50.590 37.834 1.00 0.00 WT1 H ATOM 26623 OH2 TIP3 9166 73.082 90.135 18.835 1.00 0.00 WT1 O ATOM 26624 H1 TIP3 9166 72.824 89.217 18.752 1.00 0.00 WT1 H ATOM 26625 H2 TIP3 9166 73.941 90.106 19.256 1.00 0.00 WT1 H ATOM 26626 OH2 TIP3 9167 81.445 4.480 47.737 1.00 0.00 WT1 O ATOM 26627 H1 TIP3 9167 81.263 4.986 46.945 1.00 0.00 WT1 H ATOM 26628 H2 TIP3 9167 80.719 4.687 48.325 1.00 0.00 WT1 H ATOM 26629 OH2 TIP3 9168 25.837 40.106 40.116 1.00 0.00 WT1 O ATOM 26630 H1 TIP3 9168 26.770 40.319 40.111 1.00 0.00 WT1 H ATOM 26631 H2 TIP3 9168 25.495 40.507 39.317 1.00 0.00 WT1 H ATOM 26632 OH2 TIP3 9169 64.261 38.134 20.423 1.00 0.00 WT1 O ATOM 26633 H1 TIP3 9169 64.489 37.536 21.135 1.00 0.00 WT1 H ATOM 26634 H2 TIP3 9169 64.052 37.560 19.686 1.00 0.00 WT1 H ATOM 26635 OH2 TIP3 9170 88.788 20.599 -9.170 1.00 0.00 WT1 O ATOM 26636 H1 TIP3 9170 89.067 21.041 -8.368 1.00 0.00 WT1 H ATOM 26637 H2 TIP3 9170 88.755 19.672 -8.935 1.00 0.00 WT1 H ATOM 26638 OH2 TIP3 9171 60.655 86.059 15.131 1.00 0.00 WT1 O ATOM 26639 H1 TIP3 9171 59.859 86.529 15.380 1.00 0.00 WT1 H ATOM 26640 H2 TIP3 9171 60.345 85.209 14.819 1.00 0.00 WT1 H ATOM 26641 OH2 TIP3 9172 41.920 79.752 30.774 1.00 0.00 WT1 O ATOM 26642 H1 TIP3 9172 42.303 80.629 30.774 1.00 0.00 WT1 H ATOM 26643 H2 TIP3 9172 42.550 79.214 31.254 1.00 0.00 WT1 H ATOM 26644 OH2 TIP3 9173 48.557 41.167 43.073 1.00 0.00 WT1 O ATOM 26645 H1 TIP3 9173 48.600 40.215 43.170 1.00 0.00 WT1 H ATOM 26646 H2 TIP3 9173 48.685 41.319 42.137 1.00 0.00 WT1 H ATOM 26647 OH2 TIP3 9174 33.306 70.585 41.349 1.00 0.00 WT1 O ATOM 26648 H1 TIP3 9174 33.215 69.830 41.930 1.00 0.00 WT1 H ATOM 26649 H2 TIP3 9174 34.014 70.344 40.751 1.00 0.00 WT1 H ATOM 26650 OH2 TIP3 9175 69.695 21.627 50.760 1.00 0.00 WT1 O ATOM 26651 H1 TIP3 9175 69.236 20.974 51.288 1.00 0.00 WT1 H ATOM 26652 H2 TIP3 9175 69.040 22.306 50.597 1.00 0.00 WT1 H ATOM 26653 OH2 TIP3 9176 31.602 48.229 32.887 1.00 0.00 WT1 O ATOM 26654 H1 TIP3 9176 30.714 47.870 32.881 1.00 0.00 WT1 H ATOM 26655 H2 TIP3 9176 32.116 47.607 32.373 1.00 0.00 WT1 H ATOM 26656 OH2 TIP3 9177 34.940 88.294 -0.702 1.00 0.00 WT1 O ATOM 26657 H1 TIP3 9177 34.005 88.363 -0.512 1.00 0.00 WT1 H ATOM 26658 H2 TIP3 9177 35.371 88.548 0.114 1.00 0.00 WT1 H ATOM 26659 OH2 TIP3 9178 68.742 48.583 -15.107 1.00 0.00 WT1 O ATOM 26660 H1 TIP3 9178 68.714 49.178 -15.857 1.00 0.00 WT1 H ATOM 26661 H2 TIP3 9178 69.465 47.987 -15.301 1.00 0.00 WT1 H ATOM 26662 OH2 TIP3 9179 30.236 36.704 -17.721 1.00 0.00 WT1 O ATOM 26663 H1 TIP3 9179 29.897 36.729 -16.826 1.00 0.00 WT1 H ATOM 26664 H2 TIP3 9179 30.652 37.558 -17.844 1.00 0.00 WT1 H ATOM 26665 OH2 TIP3 9180 36.510 81.372 5.653 1.00 0.00 WT1 O ATOM 26666 H1 TIP3 9180 37.283 81.498 5.104 1.00 0.00 WT1 H ATOM 26667 H2 TIP3 9180 35.773 81.418 5.044 1.00 0.00 WT1 H ATOM 26668 OH2 TIP3 9181 55.266 44.928 -14.464 1.00 0.00 WT1 O ATOM 26669 H1 TIP3 9181 55.751 44.230 -14.023 1.00 0.00 WT1 H ATOM 26670 H2 TIP3 9181 55.801 45.148 -15.226 1.00 0.00 WT1 H ATOM 26671 OH2 TIP3 9182 62.761 15.130 43.083 1.00 0.00 WT1 O ATOM 26672 H1 TIP3 9182 63.628 14.795 42.855 1.00 0.00 WT1 H ATOM 26673 H2 TIP3 9182 62.328 15.270 42.241 1.00 0.00 WT1 H ATOM 26674 OH2 TIP3 9183 86.933 72.508 0.063 1.00 0.00 WT1 O ATOM 26675 H1 TIP3 9183 87.548 72.363 0.782 1.00 0.00 WT1 H ATOM 26676 H2 TIP3 9183 87.218 71.903 -0.622 1.00 0.00 WT1 H ATOM 26677 OH2 TIP3 9184 47.342 19.615 53.439 1.00 0.00 WT1 O ATOM 26678 H1 TIP3 9184 48.103 19.035 53.407 1.00 0.00 WT1 H ATOM 26679 H2 TIP3 9184 47.036 19.660 52.533 1.00 0.00 WT1 H ATOM 26680 OH2 TIP3 9185 33.583 59.830 -4.720 1.00 0.00 WT1 O ATOM 26681 H1 TIP3 9185 34.368 60.256 -4.378 1.00 0.00 WT1 H ATOM 26682 H2 TIP3 9185 32.862 60.225 -4.230 1.00 0.00 WT1 H ATOM 26683 OH2 TIP3 9186 80.764 72.008 13.816 1.00 0.00 WT1 O ATOM 26684 H1 TIP3 9186 81.513 71.676 14.309 1.00 0.00 WT1 H ATOM 26685 H2 TIP3 9186 80.077 72.125 14.472 1.00 0.00 WT1 H ATOM 26686 OH2 TIP3 9187 31.565 47.149 59.516 1.00 0.00 WT1 O ATOM 26687 H1 TIP3 9187 31.834 47.417 60.395 1.00 0.00 WT1 H ATOM 26688 H2 TIP3 9187 30.625 47.327 59.488 1.00 0.00 WT1 H ATOM 26689 OH2 TIP3 9188 21.845 46.002 18.734 1.00 0.00 WT1 O ATOM 26690 H1 TIP3 9188 21.732 46.038 19.684 1.00 0.00 WT1 H ATOM 26691 H2 TIP3 9188 22.685 46.432 18.575 1.00 0.00 WT1 H ATOM 26692 OH2 TIP3 9189 35.615 51.476 15.978 1.00 0.00 WT1 O ATOM 26693 H1 TIP3 9189 36.151 50.729 15.711 1.00 0.00 WT1 H ATOM 26694 H2 TIP3 9189 36.248 52.159 16.200 1.00 0.00 WT1 H ATOM 26695 OH2 TIP3 9190 77.662 38.432 56.200 1.00 0.00 WT1 O ATOM 26696 H1 TIP3 9190 78.019 37.576 55.964 1.00 0.00 WT1 H ATOM 26697 H2 TIP3 9190 76.928 38.234 56.781 1.00 0.00 WT1 H ATOM 26698 OH2 TIP3 9191 66.007 62.252 44.838 1.00 0.00 WT1 O ATOM 26699 H1 TIP3 9191 66.282 61.855 44.012 1.00 0.00 WT1 H ATOM 26700 H2 TIP3 9191 65.772 63.150 44.607 1.00 0.00 WT1 H ATOM 26701 OH2 TIP3 9192 43.765 53.810 31.853 1.00 0.00 WT1 O ATOM 26702 H1 TIP3 9192 43.857 54.676 32.250 1.00 0.00 WT1 H ATOM 26703 H2 TIP3 9192 44.307 53.848 31.065 1.00 0.00 WT1 H ATOM 26704 OH2 TIP3 9193 81.205 66.002 13.349 1.00 0.00 WT1 O ATOM 26705 H1 TIP3 9193 80.381 65.567 13.127 1.00 0.00 WT1 H ATOM 26706 H2 TIP3 9193 81.850 65.296 13.371 1.00 0.00 WT1 H ATOM 26707 OH2 TIP3 9194 89.988 88.612 14.140 1.00 0.00 WT1 O ATOM 26708 H1 TIP3 9194 90.353 88.266 14.955 1.00 0.00 WT1 H ATOM 26709 H2 TIP3 9194 89.878 89.548 14.305 1.00 0.00 WT1 H ATOM 26710 OH2 TIP3 9195 34.086 83.192 5.364 1.00 0.00 WT1 O ATOM 26711 H1 TIP3 9195 33.328 83.758 5.218 1.00 0.00 WT1 H ATOM 26712 H2 TIP3 9195 33.927 82.430 4.806 1.00 0.00 WT1 H ATOM 26713 OH2 TIP3 9196 69.916 59.013 15.022 1.00 0.00 WT1 O ATOM 26714 H1 TIP3 9196 69.378 59.511 15.637 1.00 0.00 WT1 H ATOM 26715 H2 TIP3 9196 70.163 58.224 15.504 1.00 0.00 WT1 H ATOM 26716 OH2 TIP3 9197 23.950 61.029 47.680 1.00 0.00 WT1 O ATOM 26717 H1 TIP3 9197 23.969 60.463 48.453 1.00 0.00 WT1 H ATOM 26718 H2 TIP3 9197 23.232 61.639 47.847 1.00 0.00 WT1 H ATOM 26719 OH2 TIP3 9198 28.161 81.048 18.765 1.00 0.00 WT1 O ATOM 26720 H1 TIP3 9198 28.344 81.890 19.182 1.00 0.00 WT1 H ATOM 26721 H2 TIP3 9198 27.224 80.911 18.902 1.00 0.00 WT1 H ATOM 26722 OH2 TIP3 9199 37.853 53.757 37.494 1.00 0.00 WT1 O ATOM 26723 H1 TIP3 9199 38.021 53.966 36.575 1.00 0.00 WT1 H ATOM 26724 H2 TIP3 9199 38.004 54.581 37.958 1.00 0.00 WT1 H ATOM 26725 OH2 TIP3 9200 27.629 26.171 48.432 1.00 0.00 WT1 O ATOM 26726 H1 TIP3 9200 26.909 26.248 47.806 1.00 0.00 WT1 H ATOM 26727 H2 TIP3 9200 27.743 27.056 48.778 1.00 0.00 WT1 H ATOM 26728 OH2 TIP3 9201 30.075 79.271 1.702 1.00 0.00 WT1 O ATOM 26729 H1 TIP3 9201 30.436 78.730 2.405 1.00 0.00 WT1 H ATOM 26730 H2 TIP3 9201 29.157 79.394 1.942 1.00 0.00 WT1 H ATOM 26731 OH2 TIP3 9202 61.410 87.003 18.274 1.00 0.00 WT1 O ATOM 26732 H1 TIP3 9202 62.283 86.612 18.232 1.00 0.00 WT1 H ATOM 26733 H2 TIP3 9202 60.818 86.260 18.385 1.00 0.00 WT1 H ATOM 26734 OH2 TIP3 9203 47.384 53.333 53.750 1.00 0.00 WT1 O ATOM 26735 H1 TIP3 9203 46.975 53.139 54.593 1.00 0.00 WT1 H ATOM 26736 H2 TIP3 9203 46.653 53.387 53.134 1.00 0.00 WT1 H ATOM 26737 OH2 TIP3 9204 65.614 39.497 2.341 1.00 0.00 WT1 O ATOM 26738 H1 TIP3 9204 66.051 38.737 2.726 1.00 0.00 WT1 H ATOM 26739 H2 TIP3 9204 65.039 39.820 3.035 1.00 0.00 WT1 H ATOM 26740 OH2 TIP3 9205 40.777 67.848 64.442 1.00 0.00 WT1 O ATOM 26741 H1 TIP3 9205 41.673 68.094 64.673 1.00 0.00 WT1 H ATOM 26742 H2 TIP3 9205 40.814 66.901 64.310 1.00 0.00 WT1 H ATOM 26743 OH2 TIP3 9206 35.736 60.223 0.641 1.00 0.00 WT1 O ATOM 26744 H1 TIP3 9206 36.114 61.040 0.968 1.00 0.00 WT1 H ATOM 26745 H2 TIP3 9206 36.386 59.555 0.856 1.00 0.00 WT1 H ATOM 26746 OH2 TIP3 9207 78.287 9.462 46.828 1.00 0.00 WT1 O ATOM 26747 H1 TIP3 9207 77.513 9.721 47.327 1.00 0.00 WT1 H ATOM 26748 H2 TIP3 9207 78.542 8.618 47.200 1.00 0.00 WT1 H ATOM 26749 OH2 TIP3 9208 59.868 48.343 15.709 1.00 0.00 WT1 O ATOM 26750 H1 TIP3 9208 60.688 48.482 16.183 1.00 0.00 WT1 H ATOM 26751 H2 TIP3 9208 59.185 48.570 16.340 1.00 0.00 WT1 H ATOM 26752 OH2 TIP3 9209 49.079 29.043 -16.681 1.00 0.00 WT1 O ATOM 26753 H1 TIP3 9209 49.318 28.144 -16.905 1.00 0.00 WT1 H ATOM 26754 H2 TIP3 9209 48.503 28.956 -15.921 1.00 0.00 WT1 H ATOM 26755 OH2 TIP3 9210 22.898 0.189 63.673 1.00 0.00 WT1 O ATOM 26756 H1 TIP3 9210 21.975 0.431 63.602 1.00 0.00 WT1 H ATOM 26757 H2 TIP3 9210 23.085 0.228 64.611 1.00 0.00 WT1 H ATOM 26758 OH2 TIP3 9211 25.841 77.715 -14.013 1.00 0.00 WT1 O ATOM 26759 H1 TIP3 9211 26.649 78.029 -14.420 1.00 0.00 WT1 H ATOM 26760 H2 TIP3 9211 25.465 77.115 -14.656 1.00 0.00 WT1 H ATOM 26761 OH2 TIP3 9212 43.848 18.620 27.490 1.00 0.00 WT1 O ATOM 26762 H1 TIP3 9212 44.357 18.929 26.740 1.00 0.00 WT1 H ATOM 26763 H2 TIP3 9212 43.809 17.670 27.378 1.00 0.00 WT1 H ATOM 26764 OH2 TIP3 9213 48.433 29.374 28.859 1.00 0.00 WT1 O ATOM 26765 H1 TIP3 9213 47.704 29.582 28.274 1.00 0.00 WT1 H ATOM 26766 H2 TIP3 9213 48.054 29.409 29.737 1.00 0.00 WT1 H ATOM 26767 OH2 TIP3 9214 24.754 56.713 55.778 1.00 0.00 WT1 O ATOM 26768 H1 TIP3 9214 24.692 56.900 56.715 1.00 0.00 WT1 H ATOM 26769 H2 TIP3 9214 24.056 57.236 55.382 1.00 0.00 WT1 H ATOM 26770 OH2 TIP3 9215 84.618 58.286 -8.698 1.00 0.00 WT1 O ATOM 26771 H1 TIP3 9215 85.018 57.610 -8.151 1.00 0.00 WT1 H ATOM 26772 H2 TIP3 9215 83.752 57.939 -8.915 1.00 0.00 WT1 H ATOM 26773 OH2 TIP3 9216 57.818 58.249 23.941 1.00 0.00 WT1 O ATOM 26774 H1 TIP3 9216 57.320 58.266 23.123 1.00 0.00 WT1 H ATOM 26775 H2 TIP3 9216 57.185 58.503 24.612 1.00 0.00 WT1 H ATOM 26776 OH2 TIP3 9217 28.033 57.849 55.238 1.00 0.00 WT1 O ATOM 26777 H1 TIP3 9217 28.061 57.646 56.173 1.00 0.00 WT1 H ATOM 26778 H2 TIP3 9217 28.199 58.791 55.192 1.00 0.00 WT1 H ATOM 26779 OH2 TIP3 9218 83.524 56.563 2.245 1.00 0.00 WT1 O ATOM 26780 H1 TIP3 9218 84.027 56.311 3.020 1.00 0.00 WT1 H ATOM 26781 H2 TIP3 9218 82.655 56.780 2.584 1.00 0.00 WT1 H ATOM 26782 OH2 TIP3 9219 30.147 72.862 3.472 1.00 0.00 WT1 O ATOM 26783 H1 TIP3 9219 30.718 72.174 3.813 1.00 0.00 WT1 H ATOM 26784 H2 TIP3 9219 30.728 73.610 3.334 1.00 0.00 WT1 H ATOM 26785 OH2 TIP3 9220 87.923 88.123 -5.576 1.00 0.00 WT1 O ATOM 26786 H1 TIP3 9220 87.012 87.938 -5.803 1.00 0.00 WT1 H ATOM 26787 H2 TIP3 9220 88.421 87.865 -6.352 1.00 0.00 WT1 H ATOM 26788 OH2 TIP3 9222 78.888 73.086 -5.399 1.00 0.00 WT1 O ATOM 26789 H1 TIP3 9222 79.054 73.169 -4.460 1.00 0.00 WT1 H ATOM 26790 H2 TIP3 9222 77.936 73.140 -5.480 1.00 0.00 WT1 H ATOM 26791 OH2 TIP3 9223 50.739 22.980 -19.646 1.00 0.00 WT1 O ATOM 26792 H1 TIP3 9223 50.689 23.068 -18.694 1.00 0.00 WT1 H ATOM 26793 H2 TIP3 9223 51.354 23.661 -19.918 1.00 0.00 WT1 H ATOM 26794 OH2 TIP3 9224 84.324 23.028 48.616 1.00 0.00 WT1 O ATOM 26795 H1 TIP3 9224 83.883 23.857 48.804 1.00 0.00 WT1 H ATOM 26796 H2 TIP3 9224 83.772 22.364 49.030 1.00 0.00 WT1 H ATOM 26797 OH2 TIP3 9225 55.629 82.573 41.747 1.00 0.00 WT1 O ATOM 26798 H1 TIP3 9225 55.088 81.803 41.919 1.00 0.00 WT1 H ATOM 26799 H2 TIP3 9225 56.051 82.387 40.908 1.00 0.00 WT1 H ATOM 26800 OH2 TIP3 9226 79.369 81.617 -16.707 1.00 0.00 WT1 O ATOM 26801 H1 TIP3 9226 79.697 81.757 -15.819 1.00 0.00 WT1 H ATOM 26802 H2 TIP3 9226 79.055 82.477 -16.985 1.00 0.00 WT1 H ATOM 26803 OH2 TIP3 9227 21.794 69.423 59.659 1.00 0.00 WT1 O ATOM 26804 H1 TIP3 9227 21.616 68.947 60.470 1.00 0.00 WT1 H ATOM 26805 H2 TIP3 9227 22.520 70.007 59.878 1.00 0.00 WT1 H ATOM 26806 OH2 TIP3 9228 44.028 59.565 -3.442 1.00 0.00 WT1 O ATOM 26807 H1 TIP3 9228 44.418 60.006 -2.687 1.00 0.00 WT1 H ATOM 26808 H2 TIP3 9228 44.325 58.658 -3.370 1.00 0.00 WT1 H ATOM 26809 OH2 TIP3 9229 54.142 66.359 20.455 1.00 0.00 WT1 O ATOM 26810 H1 TIP3 9229 53.440 66.303 19.806 1.00 0.00 WT1 H ATOM 26811 H2 TIP3 9229 54.843 65.815 20.097 1.00 0.00 WT1 H ATOM 26812 OH2 TIP3 9230 87.774 38.417 17.297 1.00 0.00 WT1 O ATOM 26813 H1 TIP3 9230 87.360 38.233 16.454 1.00 0.00 WT1 H ATOM 26814 H2 TIP3 9230 88.190 37.592 17.546 1.00 0.00 WT1 H ATOM 26815 OH2 TIP3 9231 38.266 18.669 58.324 1.00 0.00 WT1 O ATOM 26816 H1 TIP3 9231 38.711 19.513 58.247 1.00 0.00 WT1 H ATOM 26817 H2 TIP3 9231 37.421 18.880 58.721 1.00 0.00 WT1 H ATOM 26818 OH2 TIP3 9232 45.078 38.857 15.425 1.00 0.00 WT1 O ATOM 26819 H1 TIP3 9232 45.530 38.670 16.248 1.00 0.00 WT1 H ATOM 26820 H2 TIP3 9232 44.333 38.255 15.418 1.00 0.00 WT1 H ATOM 26821 OH2 TIP3 9233 72.399 45.401 32.865 1.00 0.00 WT1 O ATOM 26822 H1 TIP3 9233 72.035 45.984 32.199 1.00 0.00 WT1 H ATOM 26823 H2 TIP3 9233 71.720 45.352 33.538 1.00 0.00 WT1 H ATOM 26824 OH2 TIP3 9234 45.473 2.057 51.568 1.00 0.00 WT1 O ATOM 26825 H1 TIP3 9234 46.240 2.593 51.772 1.00 0.00 WT1 H ATOM 26826 H2 TIP3 9234 45.369 1.487 52.330 1.00 0.00 WT1 H ATOM 26827 OH2 TIP3 9235 72.603 84.571 27.883 1.00 0.00 WT1 O ATOM 26828 H1 TIP3 9235 72.712 83.853 27.260 1.00 0.00 WT1 H ATOM 26829 H2 TIP3 9235 72.526 84.141 28.734 1.00 0.00 WT1 H ATOM 26830 OH2 TIP3 9236 35.801 58.494 -2.572 1.00 0.00 WT1 O ATOM 26831 H1 TIP3 9236 36.065 57.787 -1.982 1.00 0.00 WT1 H ATOM 26832 H2 TIP3 9236 36.406 59.209 -2.376 1.00 0.00 WT1 H ATOM 26833 OH2 TIP3 9237 35.178 37.532 32.798 1.00 0.00 WT1 O ATOM 26834 H1 TIP3 9237 34.925 38.434 32.990 1.00 0.00 WT1 H ATOM 26835 H2 TIP3 9237 35.201 37.487 31.842 1.00 0.00 WT1 H ATOM 26836 OH2 TIP3 9238 85.686 55.990 38.350 1.00 0.00 WT1 O ATOM 26837 H1 TIP3 9238 86.545 56.042 38.769 1.00 0.00 WT1 H ATOM 26838 H2 TIP3 9238 85.112 56.509 38.914 1.00 0.00 WT1 H ATOM 26839 OH2 TIP3 9239 28.094 5.914 35.927 1.00 0.00 WT1 O ATOM 26840 H1 TIP3 9239 27.168 5.674 35.897 1.00 0.00 WT1 H ATOM 26841 H2 TIP3 9239 28.457 5.570 35.111 1.00 0.00 WT1 H ATOM 26842 OH2 TIP3 9240 67.092 48.677 55.450 1.00 0.00 WT1 O ATOM 26843 H1 TIP3 9240 66.336 48.488 56.006 1.00 0.00 WT1 H ATOM 26844 H2 TIP3 9240 67.383 49.546 55.727 1.00 0.00 WT1 H ATOM 26845 OH2 TIP3 9241 84.427 13.686 62.151 1.00 0.00 WT1 O ATOM 26846 H1 TIP3 9241 83.942 12.861 62.116 1.00 0.00 WT1 H ATOM 26847 H2 TIP3 9241 85.322 13.448 61.906 1.00 0.00 WT1 H ATOM 26848 OH2 TIP3 9243 57.083 24.237 16.681 1.00 0.00 WT1 O ATOM 26849 H1 TIP3 9243 56.297 24.268 17.225 1.00 0.00 WT1 H ATOM 26850 H2 TIP3 9243 57.466 25.111 16.762 1.00 0.00 WT1 H ATOM 26851 OH2 TIP3 9244 74.044 87.028 21.484 1.00 0.00 WT1 O ATOM 26852 H1 TIP3 9244 73.797 86.257 21.995 1.00 0.00 WT1 H ATOM 26853 H2 TIP3 9244 73.548 86.946 20.670 1.00 0.00 WT1 H ATOM 26854 OH2 TIP3 9245 54.894 80.960 57.613 1.00 0.00 WT1 O ATOM 26855 H1 TIP3 9245 54.793 80.796 56.675 1.00 0.00 WT1 H ATOM 26856 H2 TIP3 9245 55.131 81.885 57.671 1.00 0.00 WT1 H ATOM 26857 OH2 TIP3 9246 22.238 43.630 -14.940 1.00 0.00 WT1 O ATOM 26858 H1 TIP3 9246 23.041 43.339 -15.374 1.00 0.00 WT1 H ATOM 26859 H2 TIP3 9246 22.307 44.585 -14.926 1.00 0.00 WT1 H ATOM 26860 OH2 TIP3 9247 56.389 45.108 3.999 1.00 0.00 WT1 O ATOM 26861 H1 TIP3 9247 56.479 45.358 4.919 1.00 0.00 WT1 H ATOM 26862 H2 TIP3 9247 55.450 45.175 3.824 1.00 0.00 WT1 H ATOM 26863 OH2 TIP3 9248 50.821 70.876 -2.684 1.00 0.00 WT1 O ATOM 26864 H1 TIP3 9248 51.646 70.562 -3.055 1.00 0.00 WT1 H ATOM 26865 H2 TIP3 9248 50.775 70.464 -1.821 1.00 0.00 WT1 H ATOM 26866 OH2 TIP3 9249 74.358 72.585 48.091 1.00 0.00 WT1 O ATOM 26867 H1 TIP3 9249 73.561 72.961 47.718 1.00 0.00 WT1 H ATOM 26868 H2 TIP3 9249 75.059 73.167 47.796 1.00 0.00 WT1 H ATOM 26869 OH2 TIP3 9250 22.906 60.151 6.055 1.00 0.00 WT1 O ATOM 26870 H1 TIP3 9250 23.006 59.539 5.327 1.00 0.00 WT1 H ATOM 26871 H2 TIP3 9250 23.587 60.808 5.911 1.00 0.00 WT1 H ATOM 26872 OH2 TIP3 9251 24.142 59.690 65.446 1.00 0.00 WT1 O ATOM 26873 H1 TIP3 9251 23.879 60.535 65.811 1.00 0.00 WT1 H ATOM 26874 H2 TIP3 9251 23.674 59.044 65.976 1.00 0.00 WT1 H ATOM 26875 OH2 TIP3 9252 23.263 28.188 30.264 1.00 0.00 WT1 O ATOM 26876 H1 TIP3 9252 22.813 28.196 29.420 1.00 0.00 WT1 H ATOM 26877 H2 TIP3 9252 23.946 27.524 30.166 1.00 0.00 WT1 H ATOM 26878 OH2 TIP3 9253 78.881 73.526 19.330 1.00 0.00 WT1 O ATOM 26879 H1 TIP3 9253 78.092 73.446 18.795 1.00 0.00 WT1 H ATOM 26880 H2 TIP3 9253 78.604 73.261 20.207 1.00 0.00 WT1 H ATOM 26881 OH2 TIP3 9254 47.497 29.867 31.332 1.00 0.00 WT1 O ATOM 26882 H1 TIP3 9254 46.753 30.460 31.229 1.00 0.00 WT1 H ATOM 26883 H2 TIP3 9254 48.015 30.253 32.038 1.00 0.00 WT1 H ATOM 26884 OH2 TIP3 9255 50.623 20.904 -12.391 1.00 0.00 WT1 O ATOM 26885 H1 TIP3 9255 49.997 20.864 -13.115 1.00 0.00 WT1 H ATOM 26886 H2 TIP3 9255 51.256 20.213 -12.583 1.00 0.00 WT1 H ATOM 26887 OH2 TIP3 9256 79.246 60.679 11.199 1.00 0.00 WT1 O ATOM 26888 H1 TIP3 9256 78.761 60.288 11.925 1.00 0.00 WT1 H ATOM 26889 H2 TIP3 9256 78.633 60.664 10.464 1.00 0.00 WT1 H ATOM 26890 OH2 TIP3 9257 50.870 94.231 4.801 1.00 0.00 WT1 O ATOM 26891 H1 TIP3 9257 50.955 93.448 5.345 1.00 0.00 WT1 H ATOM 26892 H2 TIP3 9257 49.952 94.488 4.891 1.00 0.00 WT1 H ATOM 26893 OH2 TIP3 9258 49.542 17.143 56.049 1.00 0.00 WT1 O ATOM 26894 H1 TIP3 9258 48.589 17.067 56.100 1.00 0.00 WT1 H ATOM 26895 H2 TIP3 9258 49.866 16.278 56.298 1.00 0.00 WT1 H ATOM 26896 OH2 TIP3 9259 75.470 39.933 2.750 1.00 0.00 WT1 O ATOM 26897 H1 TIP3 9259 74.901 40.444 3.326 1.00 0.00 WT1 H ATOM 26898 H2 TIP3 9259 75.070 39.064 2.727 1.00 0.00 WT1 H ATOM 26899 OH2 TIP3 9260 50.741 15.596 26.805 1.00 0.00 WT1 O ATOM 26900 H1 TIP3 9260 50.719 16.551 26.870 1.00 0.00 WT1 H ATOM 26901 H2 TIP3 9260 49.851 15.320 27.025 1.00 0.00 WT1 H ATOM 26902 OH2 TIP3 9261 68.116 77.523 -13.916 1.00 0.00 WT1 O ATOM 26903 H1 TIP3 9261 68.930 77.390 -14.402 1.00 0.00 WT1 H ATOM 26904 H2 TIP3 9261 67.636 76.702 -14.022 1.00 0.00 WT1 H ATOM 26905 OH2 TIP3 2 57.523 68.175 -13.298 1.00 0.00 WT2 O ATOM 26906 H1 TIP3 2 58.056 68.800 -12.806 1.00 0.00 WT2 H ATOM 26907 H2 TIP3 2 56.638 68.287 -12.948 1.00 0.00 WT2 H ATOM 26908 OH2 TIP3 3 67.357 83.797 54.427 1.00 0.00 WT2 O ATOM 26909 H1 TIP3 3 68.122 84.348 54.591 1.00 0.00 WT2 H ATOM 26910 H2 TIP3 3 67.607 82.935 54.758 1.00 0.00 WT2 H ATOM 26911 OH2 TIP3 4 55.039 6.359 58.531 1.00 0.00 WT2 O ATOM 26912 H1 TIP3 4 54.764 5.446 58.619 1.00 0.00 WT2 H ATOM 26913 H2 TIP3 4 55.816 6.322 57.973 1.00 0.00 WT2 H ATOM 26914 OH2 TIP3 5 72.996 66.207 66.091 1.00 0.00 WT2 O ATOM 26915 H1 TIP3 5 72.084 66.213 66.382 1.00 0.00 WT2 H ATOM 26916 H2 TIP3 5 73.502 66.059 66.889 1.00 0.00 WT2 H ATOM 26917 OH2 TIP3 7 29.175 83.131 -0.208 1.00 0.00 WT2 O ATOM 26918 H1 TIP3 7 28.656 82.574 0.372 1.00 0.00 WT2 H ATOM 26919 H2 TIP3 7 30.014 82.677 -0.290 1.00 0.00 WT2 H ATOM 26920 OH2 TIP3 9 88.085 24.781 13.519 1.00 0.00 WT2 O ATOM 26921 H1 TIP3 9 87.227 25.124 13.266 1.00 0.00 WT2 H ATOM 26922 H2 TIP3 9 88.139 23.929 13.085 1.00 0.00 WT2 H ATOM 26923 OH2 TIP3 11 81.990 41.505 39.073 1.00 0.00 WT2 O ATOM 26924 H1 TIP3 11 81.281 40.863 39.030 1.00 0.00 WT2 H ATOM 26925 H2 TIP3 11 82.747 41.052 38.703 1.00 0.00 WT2 H ATOM 26926 OH2 TIP3 21 22.606 43.863 61.810 1.00 0.00 WT2 O ATOM 26927 H1 TIP3 21 22.050 43.299 62.348 1.00 0.00 WT2 H ATOM 26928 H2 TIP3 21 22.294 44.749 61.990 1.00 0.00 WT2 H ATOM 26929 OH2 TIP3 22 36.783 42.660 -7.984 1.00 0.00 WT2 O ATOM 26930 H1 TIP3 22 36.254 42.708 -8.781 1.00 0.00 WT2 H ATOM 26931 H2 TIP3 22 37.110 43.551 -7.859 1.00 0.00 WT2 H ATOM 26932 OH2 TIP3 23 40.001 45.003 56.403 1.00 0.00 WT2 O ATOM 26933 H1 TIP3 23 39.526 44.666 57.162 1.00 0.00 WT2 H ATOM 26934 H2 TIP3 23 40.780 44.450 56.342 1.00 0.00 WT2 H ATOM 26935 OH2 TIP3 24 76.951 3.884 43.428 1.00 0.00 WT2 O ATOM 26936 H1 TIP3 24 77.212 4.804 43.419 1.00 0.00 WT2 H ATOM 26937 H2 TIP3 24 76.113 3.868 42.966 1.00 0.00 WT2 H ATOM 26938 OH2 TIP3 25 21.592 85.449 50.973 1.00 0.00 WT2 O ATOM 26939 H1 TIP3 25 22.107 85.979 50.365 1.00 0.00 WT2 H ATOM 26940 H2 TIP3 25 20.908 85.057 50.430 1.00 0.00 WT2 H ATOM 26941 OH2 TIP3 27 82.329 21.334 34.732 1.00 0.00 WT2 O ATOM 26942 H1 TIP3 27 82.193 22.278 34.646 1.00 0.00 WT2 H ATOM 26943 H2 TIP3 27 83.121 21.158 34.225 1.00 0.00 WT2 H ATOM 26944 OH2 TIP3 28 35.433 41.683 -5.707 1.00 0.00 WT2 O ATOM 26945 H1 TIP3 28 35.872 42.185 -6.395 1.00 0.00 WT2 H ATOM 26946 H2 TIP3 28 34.502 41.747 -5.920 1.00 0.00 WT2 H ATOM 26947 OH2 TIP3 29 43.815 60.475 -6.294 1.00 0.00 WT2 O ATOM 26948 H1 TIP3 29 43.681 60.327 -5.358 1.00 0.00 WT2 H ATOM 26949 H2 TIP3 29 44.368 61.255 -6.337 1.00 0.00 WT2 H ATOM 26950 OH2 TIP3 31 32.125 53.519 52.240 1.00 0.00 WT2 O ATOM 26951 H1 TIP3 31 31.978 52.573 52.267 1.00 0.00 WT2 H ATOM 26952 H2 TIP3 31 31.683 53.808 51.442 1.00 0.00 WT2 H ATOM 26953 OH2 TIP3 36 29.059 69.374 24.979 1.00 0.00 WT2 O ATOM 26954 H1 TIP3 36 28.412 69.140 25.645 1.00 0.00 WT2 H ATOM 26955 H2 TIP3 36 29.195 68.567 24.482 1.00 0.00 WT2 H ATOM 26956 OH2 TIP3 40 39.141 26.378 54.552 1.00 0.00 WT2 O ATOM 26957 H1 TIP3 40 39.573 25.778 55.160 1.00 0.00 WT2 H ATOM 26958 H2 TIP3 40 39.839 26.669 53.965 1.00 0.00 WT2 H ATOM 26959 OH2 TIP3 43 25.330 88.897 20.039 1.00 0.00 WT2 O ATOM 26960 H1 TIP3 43 25.250 87.961 20.224 1.00 0.00 WT2 H ATOM 26961 H2 TIP3 43 25.964 88.946 19.324 1.00 0.00 WT2 H ATOM 26962 OH2 TIP3 44 73.669 38.119 53.850 1.00 0.00 WT2 O ATOM 26963 H1 TIP3 44 73.513 37.633 53.040 1.00 0.00 WT2 H ATOM 26964 H2 TIP3 44 72.947 38.745 53.898 1.00 0.00 WT2 H ATOM 26965 OH2 TIP3 46 88.146 71.750 41.528 1.00 0.00 WT2 O ATOM 26966 H1 TIP3 46 88.341 70.897 41.140 1.00 0.00 WT2 H ATOM 26967 H2 TIP3 46 87.518 71.558 42.225 1.00 0.00 WT2 H ATOM 26968 OH2 TIP3 47 24.701 79.939 26.445 1.00 0.00 WT2 O ATOM 26969 H1 TIP3 47 25.442 80.445 26.111 1.00 0.00 WT2 H ATOM 26970 H2 TIP3 47 24.792 79.080 26.032 1.00 0.00 WT2 H ATOM 26971 OH2 TIP3 50 51.611 87.966 47.896 1.00 0.00 WT2 O ATOM 26972 H1 TIP3 50 52.346 87.353 47.903 1.00 0.00 WT2 H ATOM 26973 H2 TIP3 50 50.850 87.427 47.680 1.00 0.00 WT2 H ATOM 26974 OH2 TIP3 64 58.185 53.077 2.462 1.00 0.00 WT2 O ATOM 26975 H1 TIP3 64 58.872 53.703 2.689 1.00 0.00 WT2 H ATOM 26976 H2 TIP3 64 57.422 53.367 2.962 1.00 0.00 WT2 H ATOM 26977 OH2 TIP3 65 88.923 32.335 -4.183 1.00 0.00 WT2 O ATOM 26978 H1 TIP3 65 88.211 32.469 -3.558 1.00 0.00 WT2 H ATOM 26979 H2 TIP3 65 89.564 31.807 -3.708 1.00 0.00 WT2 H ATOM 26980 OH2 TIP3 66 38.165 30.104 64.779 1.00 0.00 WT2 O ATOM 26981 H1 TIP3 66 38.798 30.414 65.426 1.00 0.00 WT2 H ATOM 26982 H2 TIP3 66 38.005 29.191 65.017 1.00 0.00 WT2 H ATOM 26983 OH2 TIP3 67 47.134 22.520 -9.480 1.00 0.00 WT2 O ATOM 26984 H1 TIP3 67 47.331 22.269 -8.577 1.00 0.00 WT2 H ATOM 26985 H2 TIP3 67 47.479 21.801 -10.009 1.00 0.00 WT2 H ATOM 26986 OH2 TIP3 68 35.880 61.997 -9.642 1.00 0.00 WT2 O ATOM 26987 H1 TIP3 68 36.094 61.490 -8.858 1.00 0.00 WT2 H ATOM 26988 H2 TIP3 68 34.934 61.890 -9.745 1.00 0.00 WT2 H ATOM 26989 OH2 TIP3 69 35.427 48.118 11.826 1.00 0.00 WT2 O ATOM 26990 H1 TIP3 69 35.181 48.999 12.110 1.00 0.00 WT2 H ATOM 26991 H2 TIP3 69 35.635 47.654 12.637 1.00 0.00 WT2 H ATOM 26992 OH2 TIP3 70 37.815 67.644 -13.689 1.00 0.00 WT2 O ATOM 26993 H1 TIP3 70 38.086 68.533 -13.462 1.00 0.00 WT2 H ATOM 26994 H2 TIP3 70 38.542 67.091 -13.402 1.00 0.00 WT2 H ATOM 26995 OH2 TIP3 72 75.125 90.787 66.763 1.00 0.00 WT2 O ATOM 26996 H1 TIP3 72 74.573 90.937 65.995 1.00 0.00 WT2 H ATOM 26997 H2 TIP3 72 75.631 91.594 66.856 1.00 0.00 WT2 H ATOM 26998 OH2 TIP3 73 46.825 58.829 50.179 1.00 0.00 WT2 O ATOM 26999 H1 TIP3 73 46.610 58.781 49.248 1.00 0.00 WT2 H ATOM 27000 H2 TIP3 73 46.263 59.525 50.520 1.00 0.00 WT2 H ATOM 27001 OH2 TIP3 83 70.719 86.890 39.180 1.00 0.00 WT2 O ATOM 27002 H1 TIP3 83 70.105 86.197 38.940 1.00 0.00 WT2 H ATOM 27003 H2 TIP3 83 71.488 86.425 39.512 1.00 0.00 WT2 H ATOM 27004 OH2 TIP3 85 32.581 39.707 35.953 1.00 0.00 WT2 O ATOM 27005 H1 TIP3 85 31.777 39.916 36.429 1.00 0.00 WT2 H ATOM 27006 H2 TIP3 85 32.535 38.761 35.808 1.00 0.00 WT2 H ATOM 27007 OH2 TIP3 86 39.721 51.399 -9.572 1.00 0.00 WT2 O ATOM 27008 H1 TIP3 86 38.767 51.397 -9.497 1.00 0.00 WT2 H ATOM 27009 H2 TIP3 86 40.028 51.712 -8.721 1.00 0.00 WT2 H ATOM 27010 OH2 TIP3 87 59.852 2.723 44.807 1.00 0.00 WT2 O ATOM 27011 H1 TIP3 87 60.417 2.301 44.160 1.00 0.00 WT2 H ATOM 27012 H2 TIP3 87 59.966 2.201 45.602 1.00 0.00 WT2 H ATOM 27013 OH2 TIP3 88 63.353 51.194 -11.433 1.00 0.00 WT2 O ATOM 27014 H1 TIP3 88 63.608 50.902 -10.557 1.00 0.00 WT2 H ATOM 27015 H2 TIP3 88 63.080 52.103 -11.312 1.00 0.00 WT2 H ATOM 27016 OH2 TIP3 90 60.016 95.765 43.686 1.00 0.00 WT2 O ATOM 27017 H1 TIP3 90 60.354 95.180 43.008 1.00 0.00 WT2 H ATOM 27018 H2 TIP3 90 59.298 96.236 43.262 1.00 0.00 WT2 H ATOM 27019 OH2 TIP3 91 59.337 38.377 45.277 1.00 0.00 WT2 O ATOM 27020 H1 TIP3 91 59.443 38.376 44.325 1.00 0.00 WT2 H ATOM 27021 H2 TIP3 91 60.112 37.923 45.606 1.00 0.00 WT2 H ATOM 27022 OH2 TIP3 93 66.562 17.356 55.874 1.00 0.00 WT2 O ATOM 27023 H1 TIP3 93 66.753 17.716 55.008 1.00 0.00 WT2 H ATOM 27024 H2 TIP3 93 65.888 16.695 55.715 1.00 0.00 WT2 H ATOM 27025 OH2 TIP3 107 28.180 37.543 8.710 1.00 0.00 WT2 O ATOM 27026 H1 TIP3 107 28.169 37.783 9.637 1.00 0.00 WT2 H ATOM 27027 H2 TIP3 107 28.445 38.344 8.258 1.00 0.00 WT2 H ATOM 27028 OH2 TIP3 108 29.927 64.237 22.887 1.00 0.00 WT2 O ATOM 27029 H1 TIP3 108 30.670 64.251 23.492 1.00 0.00 WT2 H ATOM 27030 H2 TIP3 108 30.322 64.338 22.021 1.00 0.00 WT2 H ATOM 27031 OH2 TIP3 109 59.325 5.014 60.632 1.00 0.00 WT2 O ATOM 27032 H1 TIP3 109 59.806 4.892 61.451 1.00 0.00 WT2 H ATOM 27033 H2 TIP3 109 59.521 4.229 60.121 1.00 0.00 WT2 H ATOM 27034 OH2 TIP3 110 27.917 34.786 -4.621 1.00 0.00 WT2 O ATOM 27035 H1 TIP3 110 28.840 34.658 -4.839 1.00 0.00 WT2 H ATOM 27036 H2 TIP3 110 27.482 34.887 -5.468 1.00 0.00 WT2 H ATOM 27037 OH2 TIP3 111 85.172 86.546 -5.927 1.00 0.00 WT2 O ATOM 27038 H1 TIP3 111 85.120 86.664 -4.979 1.00 0.00 WT2 H ATOM 27039 H2 TIP3 111 85.449 85.637 -6.041 1.00 0.00 WT2 H ATOM 27040 OH2 TIP3 112 32.609 1.764 7.582 1.00 0.00 WT2 O ATOM 27041 H1 TIP3 112 31.869 1.620 6.993 1.00 0.00 WT2 H ATOM 27042 H2 TIP3 112 32.866 0.886 7.864 1.00 0.00 WT2 H ATOM 27043 OH2 TIP3 113 48.099 6.229 27.377 1.00 0.00 WT2 O ATOM 27044 H1 TIP3 113 48.456 5.713 26.655 1.00 0.00 WT2 H ATOM 27045 H2 TIP3 113 47.178 6.356 27.149 1.00 0.00 WT2 H ATOM 27046 OH2 TIP3 114 26.172 82.615 -12.106 1.00 0.00 WT2 O ATOM 27047 H1 TIP3 114 26.368 82.367 -13.010 1.00 0.00 WT2 H ATOM 27048 H2 TIP3 114 26.588 83.470 -11.996 1.00 0.00 WT2 H ATOM 27049 OH2 TIP3 125 62.626 25.660 7.602 1.00 0.00 WT2 O ATOM 27050 H1 TIP3 125 62.826 24.773 7.901 1.00 0.00 WT2 H ATOM 27051 H2 TIP3 125 62.014 26.001 8.254 1.00 0.00 WT2 H ATOM 27052 OH2 TIP3 129 59.504 23.009 0.712 1.00 0.00 WT2 O ATOM 27053 H1 TIP3 129 59.020 22.336 1.190 1.00 0.00 WT2 H ATOM 27054 H2 TIP3 129 59.782 23.630 1.386 1.00 0.00 WT2 H ATOM 27055 OH2 TIP3 130 81.968 19.607 37.316 1.00 0.00 WT2 O ATOM 27056 H1 TIP3 130 81.042 19.805 37.453 1.00 0.00 WT2 H ATOM 27057 H2 TIP3 130 82.176 20.006 36.471 1.00 0.00 WT2 H ATOM 27058 OH2 TIP3 132 75.929 52.852 -19.758 1.00 0.00 WT2 O ATOM 27059 H1 TIP3 132 76.100 52.227 -19.053 1.00 0.00 WT2 H ATOM 27060 H2 TIP3 132 75.167 53.348 -19.459 1.00 0.00 WT2 H ATOM 27061 OH2 TIP3 133 77.393 4.914 -5.533 1.00 0.00 WT2 O ATOM 27062 H1 TIP3 133 77.398 5.074 -6.477 1.00 0.00 WT2 H ATOM 27063 H2 TIP3 133 77.466 5.785 -5.142 1.00 0.00 WT2 H ATOM 27064 OH2 TIP3 144 43.143 28.946 36.842 1.00 0.00 WT2 O ATOM 27065 H1 TIP3 144 43.435 29.600 36.207 1.00 0.00 WT2 H ATOM 27066 H2 TIP3 144 43.694 29.095 37.610 1.00 0.00 WT2 H ATOM 27067 OH2 TIP3 145 74.768 17.943 -10.776 1.00 0.00 WT2 O ATOM 27068 H1 TIP3 145 74.047 17.879 -11.403 1.00 0.00 WT2 H ATOM 27069 H2 TIP3 145 74.975 18.877 -10.743 1.00 0.00 WT2 H ATOM 27070 OH2 TIP3 146 39.875 49.388 -12.956 1.00 0.00 WT2 O ATOM 27071 H1 TIP3 146 40.443 49.458 -12.189 1.00 0.00 WT2 H ATOM 27072 H2 TIP3 146 40.307 49.920 -13.624 1.00 0.00 WT2 H ATOM 27073 OH2 TIP3 149 47.301 60.765 -13.604 1.00 0.00 WT2 O ATOM 27074 H1 TIP3 149 47.290 61.430 -14.293 1.00 0.00 WT2 H ATOM 27075 H2 TIP3 149 46.495 60.917 -13.111 1.00 0.00 WT2 H ATOM 27076 OH2 TIP3 150 21.609 22.142 54.260 1.00 0.00 WT2 O ATOM 27077 H1 TIP3 150 21.815 22.181 53.326 1.00 0.00 WT2 H ATOM 27078 H2 TIP3 150 21.312 23.025 54.477 1.00 0.00 WT2 H ATOM 27079 OH2 TIP3 151 39.434 45.358 7.186 1.00 0.00 WT2 O ATOM 27080 H1 TIP3 151 39.452 45.764 8.052 1.00 0.00 WT2 H ATOM 27081 H2 TIP3 151 40.155 44.728 7.201 1.00 0.00 WT2 H ATOM 27082 OH2 TIP3 152 58.620 41.176 38.484 1.00 0.00 WT2 O ATOM 27083 H1 TIP3 152 58.222 42.035 38.623 1.00 0.00 WT2 H ATOM 27084 H2 TIP3 152 59.552 41.359 38.368 1.00 0.00 WT2 H ATOM 27085 OH2 TIP3 154 79.813 10.089 -13.321 1.00 0.00 WT2 O ATOM 27086 H1 TIP3 154 80.565 10.470 -12.868 1.00 0.00 WT2 H ATOM 27087 H2 TIP3 154 79.872 9.151 -13.139 1.00 0.00 WT2 H ATOM 27088 OH2 TIP3 167 22.572 91.415 23.518 1.00 0.00 WT2 O ATOM 27089 H1 TIP3 167 22.998 91.944 22.844 1.00 0.00 WT2 H ATOM 27090 H2 TIP3 167 21.734 91.851 23.672 1.00 0.00 WT2 H ATOM 27091 OH2 TIP3 170 69.037 17.468 41.551 1.00 0.00 WT2 O ATOM 27092 H1 TIP3 170 68.293 17.655 40.979 1.00 0.00 WT2 H ATOM 27093 H2 TIP3 170 69.142 16.517 41.505 1.00 0.00 WT2 H ATOM 27094 OH2 TIP3 171 71.939 47.258 64.818 1.00 0.00 WT2 O ATOM 27095 H1 TIP3 171 71.602 47.854 64.149 1.00 0.00 WT2 H ATOM 27096 H2 TIP3 171 72.536 47.795 65.340 1.00 0.00 WT2 H ATOM 27097 OH2 TIP3 173 88.123 48.900 48.513 1.00 0.00 WT2 O ATOM 27098 H1 TIP3 173 87.982 48.236 49.188 1.00 0.00 WT2 H ATOM 27099 H2 TIP3 173 88.885 48.588 48.024 1.00 0.00 WT2 H ATOM 27100 OH2 TIP3 174 31.037 56.191 -19.809 1.00 0.00 WT2 O ATOM 27101 H1 TIP3 174 30.698 56.085 -18.920 1.00 0.00 WT2 H ATOM 27102 H2 TIP3 174 31.924 56.529 -19.689 1.00 0.00 WT2 H ATOM 27103 OH2 TIP3 178 75.800 76.616 -12.881 1.00 0.00 WT2 O ATOM 27104 H1 TIP3 178 75.284 77.399 -13.074 1.00 0.00 WT2 H ATOM 27105 H2 TIP3 178 75.307 76.168 -12.194 1.00 0.00 WT2 H ATOM 27106 OH2 TIP3 189 35.182 15.724 62.883 1.00 0.00 WT2 O ATOM 27107 H1 TIP3 189 35.002 14.801 62.705 1.00 0.00 WT2 H ATOM 27108 H2 TIP3 189 34.721 16.197 62.190 1.00 0.00 WT2 H ATOM 27109 OH2 TIP3 190 31.147 51.696 -19.007 1.00 0.00 WT2 O ATOM 27110 H1 TIP3 190 31.322 52.453 -18.448 1.00 0.00 WT2 H ATOM 27111 H2 TIP3 190 30.445 51.224 -18.558 1.00 0.00 WT2 H ATOM 27112 OH2 TIP3 191 43.312 66.241 -2.379 1.00 0.00 WT2 O ATOM 27113 H1 TIP3 191 43.954 66.695 -1.834 1.00 0.00 WT2 H ATOM 27114 H2 TIP3 191 43.720 65.399 -2.580 1.00 0.00 WT2 H ATOM 27115 OH2 TIP3 192 29.161 24.194 59.221 1.00 0.00 WT2 O ATOM 27116 H1 TIP3 192 29.628 24.352 60.041 1.00 0.00 WT2 H ATOM 27117 H2 TIP3 192 29.787 24.434 58.538 1.00 0.00 WT2 H ATOM 27118 OH2 TIP3 193 73.802 31.794 10.220 1.00 0.00 WT2 O ATOM 27119 H1 TIP3 193 74.625 32.248 10.400 1.00 0.00 WT2 H ATOM 27120 H2 TIP3 193 73.220 32.063 10.931 1.00 0.00 WT2 H ATOM 27121 OH2 TIP3 195 83.504 18.807 -7.888 1.00 0.00 WT2 O ATOM 27122 H1 TIP3 195 83.411 17.857 -7.962 1.00 0.00 WT2 H ATOM 27123 H2 TIP3 195 82.927 19.049 -7.163 1.00 0.00 WT2 H ATOM 27124 OH2 TIP3 196 90.280 91.314 -1.769 1.00 0.00 WT2 O ATOM 27125 H1 TIP3 196 89.726 90.535 -1.728 1.00 0.00 WT2 H ATOM 27126 H2 TIP3 196 89.693 92.037 -1.548 1.00 0.00 WT2 H ATOM 27127 OH2 TIP3 199 32.546 62.537 -3.181 1.00 0.00 WT2 O ATOM 27128 H1 TIP3 199 31.627 62.490 -2.918 1.00 0.00 WT2 H ATOM 27129 H2 TIP3 199 32.668 63.442 -3.467 1.00 0.00 WT2 H ATOM 27130 OH2 TIP3 212 26.659 23.484 43.425 1.00 0.00 WT2 O ATOM 27131 H1 TIP3 212 26.755 23.006 42.601 1.00 0.00 WT2 H ATOM 27132 H2 TIP3 212 27.110 22.940 44.071 1.00 0.00 WT2 H ATOM 27133 OH2 TIP3 214 38.539 29.155 30.879 1.00 0.00 WT2 O ATOM 27134 H1 TIP3 214 37.959 29.855 30.580 1.00 0.00 WT2 H ATOM 27135 H2 TIP3 214 39.252 29.610 31.329 1.00 0.00 WT2 H ATOM 27136 OH2 TIP3 217 71.061 50.780 -2.995 1.00 0.00 WT2 O ATOM 27137 H1 TIP3 217 70.465 51.317 -3.517 1.00 0.00 WT2 H ATOM 27138 H2 TIP3 217 70.691 50.800 -2.113 1.00 0.00 WT2 H ATOM 27139 OH2 TIP3 233 59.073 30.502 16.830 1.00 0.00 WT2 O ATOM 27140 H1 TIP3 233 58.193 30.789 16.588 1.00 0.00 WT2 H ATOM 27141 H2 TIP3 233 59.143 30.703 17.763 1.00 0.00 WT2 H ATOM 27142 OH2 TIP3 235 29.058 2.265 16.232 1.00 0.00 WT2 O ATOM 27143 H1 TIP3 235 30.007 2.299 16.354 1.00 0.00 WT2 H ATOM 27144 H2 TIP3 235 28.935 2.339 15.286 1.00 0.00 WT2 H ATOM 27145 OH2 TIP3 236 26.513 75.099 5.128 1.00 0.00 WT2 O ATOM 27146 H1 TIP3 236 26.398 76.027 4.924 1.00 0.00 WT2 H ATOM 27147 H2 TIP3 236 26.055 74.639 4.424 1.00 0.00 WT2 H ATOM 27148 OH2 TIP3 237 65.845 15.479 65.941 1.00 0.00 WT2 O ATOM 27149 H1 TIP3 237 65.260 14.771 65.669 1.00 0.00 WT2 H ATOM 27150 H2 TIP3 237 65.298 16.047 66.484 1.00 0.00 WT2 H ATOM 27151 OH2 TIP3 239 24.362 25.967 60.507 1.00 0.00 WT2 O ATOM 27152 H1 TIP3 239 24.385 26.164 61.443 1.00 0.00 WT2 H ATOM 27153 H2 TIP3 239 25.275 26.027 60.226 1.00 0.00 WT2 H ATOM 27154 OH2 TIP3 244 71.582 28.343 1.891 1.00 0.00 WT2 O ATOM 27155 H1 TIP3 244 72.234 28.616 1.246 1.00 0.00 WT2 H ATOM 27156 H2 TIP3 244 72.034 27.694 2.429 1.00 0.00 WT2 H ATOM 27157 OH2 TIP3 252 47.369 88.760 42.310 1.00 0.00 WT2 O ATOM 27158 H1 TIP3 252 48.311 88.672 42.166 1.00 0.00 WT2 H ATOM 27159 H2 TIP3 252 47.227 89.702 42.397 1.00 0.00 WT2 H ATOM 27160 OH2 TIP3 253 40.166 44.855 -17.819 1.00 0.00 WT2 O ATOM 27161 H1 TIP3 253 40.093 45.769 -18.094 1.00 0.00 WT2 H ATOM 27162 H2 TIP3 253 40.846 44.488 -18.384 1.00 0.00 WT2 H ATOM 27163 OH2 TIP3 255 76.101 56.188 -19.350 1.00 0.00 WT2 O ATOM 27164 H1 TIP3 255 76.601 56.871 -18.904 1.00 0.00 WT2 H ATOM 27165 H2 TIP3 255 76.706 55.449 -19.414 1.00 0.00 WT2 H ATOM 27166 OH2 TIP3 256 70.451 86.724 -18.192 1.00 0.00 WT2 O ATOM 27167 H1 TIP3 256 70.186 86.415 -17.325 1.00 0.00 WT2 H ATOM 27168 H2 TIP3 256 69.692 87.209 -18.516 1.00 0.00 WT2 H ATOM 27169 OH2 TIP3 257 28.316 94.937 6.915 1.00 0.00 WT2 O ATOM 27170 H1 TIP3 257 27.672 94.659 7.566 1.00 0.00 WT2 H ATOM 27171 H2 TIP3 257 29.075 94.376 7.074 1.00 0.00 WT2 H ATOM 27172 OH2 TIP3 258 64.323 61.596 -3.621 1.00 0.00 WT2 O ATOM 27173 H1 TIP3 258 63.866 61.303 -2.832 1.00 0.00 WT2 H ATOM 27174 H2 TIP3 258 65.188 61.864 -3.311 1.00 0.00 WT2 H ATOM 27175 OH2 TIP3 260 82.226 23.769 -1.398 1.00 0.00 WT2 O ATOM 27176 H1 TIP3 260 82.929 23.231 -1.762 1.00 0.00 WT2 H ATOM 27177 H2 TIP3 260 82.366 23.741 -0.452 1.00 0.00 WT2 H ATOM 27178 OH2 TIP3 262 75.742 89.010 37.091 1.00 0.00 WT2 O ATOM 27179 H1 TIP3 262 75.041 88.688 36.525 1.00 0.00 WT2 H ATOM 27180 H2 TIP3 262 75.304 89.236 37.912 1.00 0.00 WT2 H ATOM 27181 OH2 TIP3 273 77.902 15.280 -14.457 1.00 0.00 WT2 O ATOM 27182 H1 TIP3 273 78.437 14.487 -14.446 1.00 0.00 WT2 H ATOM 27183 H2 TIP3 273 77.271 15.154 -13.749 1.00 0.00 WT2 H ATOM 27184 OH2 TIP3 278 74.768 47.781 36.876 1.00 0.00 WT2 O ATOM 27185 H1 TIP3 278 75.231 47.196 36.275 1.00 0.00 WT2 H ATOM 27186 H2 TIP3 278 73.953 47.995 36.421 1.00 0.00 WT2 H ATOM 27187 OH2 TIP3 279 58.764 11.625 -7.165 1.00 0.00 WT2 O ATOM 27188 H1 TIP3 279 58.092 11.257 -7.739 1.00 0.00 WT2 H ATOM 27189 H2 TIP3 279 59.438 10.947 -7.117 1.00 0.00 WT2 H ATOM 27190 OH2 TIP3 280 69.423 33.465 13.673 1.00 0.00 WT2 O ATOM 27191 H1 TIP3 280 69.379 32.929 14.465 1.00 0.00 WT2 H ATOM 27192 H2 TIP3 280 68.511 33.566 13.401 1.00 0.00 WT2 H ATOM 27193 OH2 TIP3 295 49.121 4.563 65.784 1.00 0.00 WT2 O ATOM 27194 H1 TIP3 295 48.348 5.125 65.724 1.00 0.00 WT2 H ATOM 27195 H2 TIP3 295 49.502 4.770 66.637 1.00 0.00 WT2 H ATOM 27196 OH2 TIP3 296 28.188 52.425 54.491 1.00 0.00 WT2 O ATOM 27197 H1 TIP3 296 27.630 53.186 54.650 1.00 0.00 WT2 H ATOM 27198 H2 TIP3 296 29.062 52.708 54.760 1.00 0.00 WT2 H ATOM 27199 OH2 TIP3 297 81.075 16.273 -2.440 1.00 0.00 WT2 O ATOM 27200 H1 TIP3 297 80.951 15.331 -2.327 1.00 0.00 WT2 H ATOM 27201 H2 TIP3 297 80.784 16.448 -3.335 1.00 0.00 WT2 H ATOM 27202 OH2 TIP3 299 75.948 29.393 0.601 1.00 0.00 WT2 O ATOM 27203 H1 TIP3 299 75.749 29.035 -0.264 1.00 0.00 WT2 H ATOM 27204 H2 TIP3 299 75.450 30.210 0.643 1.00 0.00 WT2 H ATOM 27205 OH2 TIP3 300 79.595 40.831 28.260 1.00 0.00 WT2 O ATOM 27206 H1 TIP3 300 79.764 41.078 27.351 1.00 0.00 WT2 H ATOM 27207 H2 TIP3 300 80.337 41.190 28.748 1.00 0.00 WT2 H ATOM 27208 OH2 TIP3 301 38.005 15.956 -11.642 1.00 0.00 WT2 O ATOM 27209 H1 TIP3 301 37.347 15.327 -11.346 1.00 0.00 WT2 H ATOM 27210 H2 TIP3 301 38.447 16.235 -10.841 1.00 0.00 WT2 H ATOM 27211 OH2 TIP3 302 24.971 21.982 40.668 1.00 0.00 WT2 O ATOM 27212 H1 TIP3 302 25.005 22.202 39.737 1.00 0.00 WT2 H ATOM 27213 H2 TIP3 302 24.544 21.125 40.697 1.00 0.00 WT2 H ATOM 27214 OH2 TIP3 303 86.065 45.120 42.797 1.00 0.00 WT2 O ATOM 27215 H1 TIP3 303 86.650 44.508 43.244 1.00 0.00 WT2 H ATOM 27216 H2 TIP3 303 85.400 44.563 42.392 1.00 0.00 WT2 H ATOM 27217 OH2 TIP3 315 29.156 34.315 27.521 1.00 0.00 WT2 O ATOM 27218 H1 TIP3 315 28.759 34.428 26.658 1.00 0.00 WT2 H ATOM 27219 H2 TIP3 315 29.043 33.385 27.718 1.00 0.00 WT2 H ATOM 27220 OH2 TIP3 316 79.016 38.230 2.584 1.00 0.00 WT2 O ATOM 27221 H1 TIP3 316 78.455 37.456 2.541 1.00 0.00 WT2 H ATOM 27222 H2 TIP3 316 79.543 38.101 3.372 1.00 0.00 WT2 H ATOM 27223 OH2 TIP3 317 46.161 56.439 -6.017 1.00 0.00 WT2 O ATOM 27224 H1 TIP3 317 46.234 56.817 -5.141 1.00 0.00 WT2 H ATOM 27225 H2 TIP3 317 47.065 56.365 -6.323 1.00 0.00 WT2 H ATOM 27226 OH2 TIP3 319 22.668 86.802 3.861 1.00 0.00 WT2 O ATOM 27227 H1 TIP3 319 22.837 87.655 4.260 1.00 0.00 WT2 H ATOM 27228 H2 TIP3 319 21.890 86.940 3.320 1.00 0.00 WT2 H ATOM 27229 OH2 TIP3 320 60.812 22.440 11.675 1.00 0.00 WT2 O ATOM 27230 H1 TIP3 320 60.609 21.587 11.291 1.00 0.00 WT2 H ATOM 27231 H2 TIP3 320 60.443 22.399 12.557 1.00 0.00 WT2 H ATOM 27232 OH2 TIP3 321 81.807 68.945 -15.161 1.00 0.00 WT2 O ATOM 27233 H1 TIP3 321 81.584 68.436 -15.940 1.00 0.00 WT2 H ATOM 27234 H2 TIP3 321 82.167 69.763 -15.505 1.00 0.00 WT2 H ATOM 27235 OH2 TIP3 322 37.490 15.136 64.881 1.00 0.00 WT2 O ATOM 27236 H1 TIP3 322 36.968 15.460 64.148 1.00 0.00 WT2 H ATOM 27237 H2 TIP3 322 36.881 14.605 65.395 1.00 0.00 WT2 H ATOM 27238 OH2 TIP3 334 74.888 39.241 61.524 1.00 0.00 WT2 O ATOM 27239 H1 TIP3 334 74.680 38.329 61.319 1.00 0.00 WT2 H ATOM 27240 H2 TIP3 334 74.471 39.397 62.371 1.00 0.00 WT2 H ATOM 27241 OH2 TIP3 335 71.998 45.482 55.802 1.00 0.00 WT2 O ATOM 27242 H1 TIP3 335 71.322 45.102 55.240 1.00 0.00 WT2 H ATOM 27243 H2 TIP3 335 72.675 45.781 55.195 1.00 0.00 WT2 H ATOM 27244 OH2 TIP3 337 49.778 41.017 12.086 1.00 0.00 WT2 O ATOM 27245 H1 TIP3 337 50.053 40.367 12.733 1.00 0.00 WT2 H ATOM 27246 H2 TIP3 337 49.783 41.847 12.563 1.00 0.00 WT2 H ATOM 27247 OH2 TIP3 338 65.044 8.662 27.826 1.00 0.00 WT2 O ATOM 27248 H1 TIP3 338 65.382 8.541 28.714 1.00 0.00 WT2 H ATOM 27249 H2 TIP3 338 64.980 7.775 27.471 1.00 0.00 WT2 H ATOM 27250 OH2 TIP3 339 33.331 50.846 46.432 1.00 0.00 WT2 O ATOM 27251 H1 TIP3 339 33.026 51.307 47.213 1.00 0.00 WT2 H ATOM 27252 H2 TIP3 339 34.277 50.767 46.553 1.00 0.00 WT2 H ATOM 27253 OH2 TIP3 340 56.383 88.516 -12.803 1.00 0.00 WT2 O ATOM 27254 H1 TIP3 340 55.982 88.179 -12.002 1.00 0.00 WT2 H ATOM 27255 H2 TIP3 340 56.410 87.763 -13.393 1.00 0.00 WT2 H ATOM 27256 OH2 TIP3 341 33.917 65.227 -13.553 1.00 0.00 WT2 O ATOM 27257 H1 TIP3 341 33.447 66.043 -13.727 1.00 0.00 WT2 H ATOM 27258 H2 TIP3 341 33.374 64.770 -12.911 1.00 0.00 WT2 H ATOM 27259 OH2 TIP3 344 38.452 16.270 -6.682 1.00 0.00 WT2 O ATOM 27260 H1 TIP3 344 37.499 16.364 -6.681 1.00 0.00 WT2 H ATOM 27261 H2 TIP3 344 38.602 15.351 -6.904 1.00 0.00 WT2 H ATOM 27262 OH2 TIP3 346 48.912 31.372 42.638 1.00 0.00 WT2 O ATOM 27263 H1 TIP3 346 48.269 32.053 42.836 1.00 0.00 WT2 H ATOM 27264 H2 TIP3 346 49.476 31.760 41.970 1.00 0.00 WT2 H ATOM 27265 OH2 TIP3 361 76.594 83.170 54.858 1.00 0.00 WT2 O ATOM 27266 H1 TIP3 361 76.335 82.250 54.900 1.00 0.00 WT2 H ATOM 27267 H2 TIP3 361 76.881 83.298 53.954 1.00 0.00 WT2 H ATOM 27268 OH2 TIP3 362 87.793 69.920 -16.007 1.00 0.00 WT2 O ATOM 27269 H1 TIP3 362 88.677 69.555 -16.043 1.00 0.00 WT2 H ATOM 27270 H2 TIP3 362 87.829 70.570 -15.305 1.00 0.00 WT2 H ATOM 27271 OH2 TIP3 364 60.861 70.958 45.672 1.00 0.00 WT2 O ATOM 27272 H1 TIP3 364 61.739 71.294 45.855 1.00 0.00 WT2 H ATOM 27273 H2 TIP3 364 60.511 71.552 45.008 1.00 0.00 WT2 H ATOM 27274 OH2 TIP3 375 71.509 13.036 52.635 1.00 0.00 WT2 O ATOM 27275 H1 TIP3 375 71.249 12.584 53.438 1.00 0.00 WT2 H ATOM 27276 H2 TIP3 375 70.698 13.417 52.300 1.00 0.00 WT2 H ATOM 27277 OH2 TIP3 378 33.996 36.320 9.708 1.00 0.00 WT2 O ATOM 27278 H1 TIP3 378 34.083 36.035 8.799 1.00 0.00 WT2 H ATOM 27279 H2 TIP3 378 33.605 37.192 9.650 1.00 0.00 WT2 H ATOM 27280 OH2 TIP3 381 73.710 54.846 36.595 1.00 0.00 WT2 O ATOM 27281 H1 TIP3 381 74.203 55.424 36.012 1.00 0.00 WT2 H ATOM 27282 H2 TIP3 381 72.799 55.118 36.488 1.00 0.00 WT2 H ATOM 27283 OH2 TIP3 383 48.515 42.458 45.452 1.00 0.00 WT2 O ATOM 27284 H1 TIP3 383 48.519 41.877 44.692 1.00 0.00 WT2 H ATOM 27285 H2 TIP3 383 49.383 42.352 45.841 1.00 0.00 WT2 H ATOM 27286 OH2 TIP3 384 24.519 24.902 6.058 1.00 0.00 WT2 O ATOM 27287 H1 TIP3 384 23.676 25.336 6.188 1.00 0.00 WT2 H ATOM 27288 H2 TIP3 384 25.056 25.196 6.794 1.00 0.00 WT2 H ATOM 27289 OH2 TIP3 385 41.060 51.275 48.764 1.00 0.00 WT2 O ATOM 27290 H1 TIP3 385 41.179 52.004 48.156 1.00 0.00 WT2 H ATOM 27291 H2 TIP3 385 41.666 51.459 49.482 1.00 0.00 WT2 H ATOM 27292 OH2 TIP3 387 39.069 62.002 59.186 1.00 0.00 WT2 O ATOM 27293 H1 TIP3 387 40.005 61.915 59.002 1.00 0.00 WT2 H ATOM 27294 H2 TIP3 387 38.642 61.483 58.504 1.00 0.00 WT2 H ATOM 27295 OH2 TIP3 392 48.787 57.486 -18.966 1.00 0.00 WT2 O ATOM 27296 H1 TIP3 392 48.434 56.641 -18.686 1.00 0.00 WT2 H ATOM 27297 H2 TIP3 392 48.417 58.117 -18.349 1.00 0.00 WT2 H ATOM 27298 OH2 TIP3 398 77.003 73.302 28.793 1.00 0.00 WT2 O ATOM 27299 H1 TIP3 398 76.474 72.641 28.346 1.00 0.00 WT2 H ATOM 27300 H2 TIP3 398 77.905 73.092 28.552 1.00 0.00 WT2 H ATOM 27301 OH2 TIP3 401 43.085 35.180 40.263 1.00 0.00 WT2 O ATOM 27302 H1 TIP3 401 42.135 35.269 40.348 1.00 0.00 WT2 H ATOM 27303 H2 TIP3 401 43.431 36.023 40.557 1.00 0.00 WT2 H ATOM 27304 OH2 TIP3 403 56.338 70.904 -9.870 1.00 0.00 WT2 O ATOM 27305 H1 TIP3 403 56.992 71.319 -9.308 1.00 0.00 WT2 H ATOM 27306 H2 TIP3 403 56.184 70.049 -9.468 1.00 0.00 WT2 H ATOM 27307 OH2 TIP3 404 50.692 93.446 44.980 1.00 0.00 WT2 O ATOM 27308 H1 TIP3 404 50.693 93.238 44.045 1.00 0.00 WT2 H ATOM 27309 H2 TIP3 404 50.412 92.636 45.405 1.00 0.00 WT2 H ATOM 27310 OH2 TIP3 406 20.103 62.488 -0.469 1.00 0.00 WT2 O ATOM 27311 H1 TIP3 406 19.893 62.296 0.445 1.00 0.00 WT2 H ATOM 27312 H2 TIP3 406 21.058 62.446 -0.510 1.00 0.00 WT2 H ATOM 27313 OH2 TIP3 407 52.092 80.976 3.645 1.00 0.00 WT2 O ATOM 27314 H1 TIP3 407 52.857 80.445 3.867 1.00 0.00 WT2 H ATOM 27315 H2 TIP3 407 52.055 81.642 4.331 1.00 0.00 WT2 H ATOM 27316 OH2 TIP3 416 53.004 66.829 30.638 1.00 0.00 WT2 O ATOM 27317 H1 TIP3 416 52.681 66.269 29.931 1.00 0.00 WT2 H ATOM 27318 H2 TIP3 416 53.522 67.500 30.194 1.00 0.00 WT2 H ATOM 27319 OH2 TIP3 420 57.069 33.440 46.402 1.00 0.00 WT2 O ATOM 27320 H1 TIP3 420 56.705 34.312 46.247 1.00 0.00 WT2 H ATOM 27321 H2 TIP3 420 58.014 33.580 46.449 1.00 0.00 WT2 H ATOM 27322 OH2 TIP3 424 32.764 72.022 2.575 1.00 0.00 WT2 O ATOM 27323 H1 TIP3 424 32.699 71.372 3.275 1.00 0.00 WT2 H ATOM 27324 H2 TIP3 424 33.578 72.491 2.758 1.00 0.00 WT2 H ATOM 27325 OH2 TIP3 425 43.039 58.717 16.106 1.00 0.00 WT2 O ATOM 27326 H1 TIP3 425 43.592 59.438 16.407 1.00 0.00 WT2 H ATOM 27327 H2 TIP3 425 43.577 57.935 16.231 1.00 0.00 WT2 H ATOM 27328 OH2 TIP3 426 86.333 72.252 -16.504 1.00 0.00 WT2 O ATOM 27329 H1 TIP3 426 86.378 71.396 -16.929 1.00 0.00 WT2 H ATOM 27330 H2 TIP3 426 86.058 72.061 -15.607 1.00 0.00 WT2 H ATOM 27331 OH2 TIP3 427 35.063 17.604 -12.783 1.00 0.00 WT2 O ATOM 27332 H1 TIP3 427 34.502 16.833 -12.865 1.00 0.00 WT2 H ATOM 27333 H2 TIP3 427 35.839 17.393 -13.301 1.00 0.00 WT2 H ATOM 27334 OH2 TIP3 430 45.108 22.844 41.160 1.00 0.00 WT2 O ATOM 27335 H1 TIP3 430 44.434 22.971 40.492 1.00 0.00 WT2 H ATOM 27336 H2 TIP3 430 45.720 23.568 41.025 1.00 0.00 WT2 H ATOM 27337 OH2 TIP3 439 80.014 48.056 30.050 1.00 0.00 WT2 O ATOM 27338 H1 TIP3 439 79.822 48.781 30.646 1.00 0.00 WT2 H ATOM 27339 H2 TIP3 439 79.346 47.400 30.248 1.00 0.00 WT2 H ATOM 27340 OH2 TIP3 443 56.560 1.068 60.031 1.00 0.00 WT2 O ATOM 27341 H1 TIP3 443 57.233 1.176 59.358 1.00 0.00 WT2 H ATOM 27342 H2 TIP3 443 56.621 0.147 60.285 1.00 0.00 WT2 H ATOM 27343 OH2 TIP3 444 61.298 50.405 43.467 1.00 0.00 WT2 O ATOM 27344 H1 TIP3 444 61.583 50.665 42.591 1.00 0.00 WT2 H ATOM 27345 H2 TIP3 444 61.775 50.988 44.058 1.00 0.00 WT2 H ATOM 27346 OH2 TIP3 445 67.860 59.264 40.947 1.00 0.00 WT2 O ATOM 27347 H1 TIP3 445 67.624 60.013 41.494 1.00 0.00 WT2 H ATOM 27348 H2 TIP3 445 67.181 59.236 40.273 1.00 0.00 WT2 H ATOM 27349 OH2 TIP3 446 69.205 6.645 55.509 1.00 0.00 WT2 O ATOM 27350 H1 TIP3 446 69.974 6.172 55.189 1.00 0.00 WT2 H ATOM 27351 H2 TIP3 446 68.875 7.112 54.742 1.00 0.00 WT2 H ATOM 27352 OH2 TIP3 447 78.290 94.232 41.703 1.00 0.00 WT2 O ATOM 27353 H1 TIP3 447 77.599 93.576 41.608 1.00 0.00 WT2 H ATOM 27354 H2 TIP3 447 78.894 94.051 40.984 1.00 0.00 WT2 H ATOM 27355 OH2 TIP3 450 42.477 70.665 3.467 1.00 0.00 WT2 O ATOM 27356 H1 TIP3 450 41.821 70.094 3.868 1.00 0.00 WT2 H ATOM 27357 H2 TIP3 450 43.307 70.385 3.852 1.00 0.00 WT2 H ATOM 27358 OH2 TIP3 460 74.048 32.410 -5.328 1.00 0.00 WT2 O ATOM 27359 H1 TIP3 460 73.652 33.272 -5.198 1.00 0.00 WT2 H ATOM 27360 H2 TIP3 460 73.833 31.925 -4.531 1.00 0.00 WT2 H ATOM 27361 OH2 TIP3 465 76.634 96.385 -17.526 1.00 0.00 WT2 O ATOM 27362 H1 TIP3 465 76.768 97.216 -17.982 1.00 0.00 WT2 H ATOM 27363 H2 TIP3 465 77.517 96.083 -17.313 1.00 0.00 WT2 H ATOM 27364 OH2 TIP3 466 35.148 68.406 10.373 1.00 0.00 WT2 O ATOM 27365 H1 TIP3 466 35.189 69.140 10.986 1.00 0.00 WT2 H ATOM 27366 H2 TIP3 466 35.793 68.620 9.699 1.00 0.00 WT2 H ATOM 27367 OH2 TIP3 467 56.724 37.712 -3.695 1.00 0.00 WT2 O ATOM 27368 H1 TIP3 467 56.407 37.524 -2.811 1.00 0.00 WT2 H ATOM 27369 H2 TIP3 467 57.652 37.915 -3.579 1.00 0.00 WT2 H ATOM 27370 OH2 TIP3 468 36.803 65.461 25.572 1.00 0.00 WT2 O ATOM 27371 H1 TIP3 468 37.259 64.685 25.899 1.00 0.00 WT2 H ATOM 27372 H2 TIP3 468 37.498 66.015 25.217 1.00 0.00 WT2 H ATOM 27373 OH2 TIP3 469 24.544 71.740 49.846 1.00 0.00 WT2 O ATOM 27374 H1 TIP3 469 23.606 71.741 49.653 1.00 0.00 WT2 H ATOM 27375 H2 TIP3 469 24.952 72.080 49.050 1.00 0.00 WT2 H ATOM 27376 OH2 TIP3 470 50.432 69.754 -9.157 1.00 0.00 WT2 O ATOM 27377 H1 TIP3 470 50.371 68.894 -8.742 1.00 0.00 WT2 H ATOM 27378 H2 TIP3 470 49.577 70.155 -9.005 1.00 0.00 WT2 H ATOM 27379 OH2 TIP3 472 34.090 21.021 64.119 1.00 0.00 WT2 O ATOM 27380 H1 TIP3 472 33.921 21.051 65.060 1.00 0.00 WT2 H ATOM 27381 H2 TIP3 472 35.043 21.060 64.045 1.00 0.00 WT2 H ATOM 27382 OH2 TIP3 478 79.616 56.676 36.778 1.00 0.00 WT2 O ATOM 27383 H1 TIP3 478 79.536 57.144 35.947 1.00 0.00 WT2 H ATOM 27384 H2 TIP3 478 79.039 57.149 37.377 1.00 0.00 WT2 H ATOM 27385 OH2 TIP3 483 53.209 19.357 9.447 1.00 0.00 WT2 O ATOM 27386 H1 TIP3 483 53.697 18.817 8.825 1.00 0.00 WT2 H ATOM 27387 H2 TIP3 483 53.730 20.156 9.532 1.00 0.00 WT2 H ATOM 27388 OH2 TIP3 484 85.856 85.245 24.083 1.00 0.00 WT2 O ATOM 27389 H1 TIP3 484 85.369 85.011 24.874 1.00 0.00 WT2 H ATOM 27390 H2 TIP3 484 85.366 85.977 23.708 1.00 0.00 WT2 H ATOM 27391 OH2 TIP3 485 42.687 57.195 62.215 1.00 0.00 WT2 O ATOM 27392 H1 TIP3 485 41.945 57.710 62.532 1.00 0.00 WT2 H ATOM 27393 H2 TIP3 485 43.330 57.239 62.923 1.00 0.00 WT2 H ATOM 27394 OH2 TIP3 486 86.958 70.538 48.310 1.00 0.00 WT2 O ATOM 27395 H1 TIP3 486 86.280 70.307 48.946 1.00 0.00 WT2 H ATOM 27396 H2 TIP3 486 86.707 70.073 47.512 1.00 0.00 WT2 H ATOM 27397 OH2 TIP3 488 56.983 83.122 31.187 1.00 0.00 WT2 O ATOM 27398 H1 TIP3 488 56.049 83.085 30.985 1.00 0.00 WT2 H ATOM 27399 H2 TIP3 488 57.368 83.610 30.459 1.00 0.00 WT2 H ATOM 27400 OH2 TIP3 489 89.795 13.006 49.312 1.00 0.00 WT2 O ATOM 27401 H1 TIP3 489 89.602 12.073 49.398 1.00 0.00 WT2 H ATOM 27402 H2 TIP3 489 90.748 13.049 49.238 1.00 0.00 WT2 H ATOM 27403 OH2 TIP3 492 85.943 17.585 -17.771 1.00 0.00 WT2 O ATOM 27404 H1 TIP3 492 85.857 17.903 -16.872 1.00 0.00 WT2 H ATOM 27405 H2 TIP3 492 86.866 17.344 -17.852 1.00 0.00 WT2 H ATOM 27406 OH2 TIP3 503 87.599 37.957 9.268 1.00 0.00 WT2 O ATOM 27407 H1 TIP3 503 87.438 37.023 9.137 1.00 0.00 WT2 H ATOM 27408 H2 TIP3 503 87.226 38.146 10.129 1.00 0.00 WT2 H ATOM 27409 OH2 TIP3 506 27.368 38.079 -16.224 1.00 0.00 WT2 O ATOM 27410 H1 TIP3 506 27.477 38.876 -15.704 1.00 0.00 WT2 H ATOM 27411 H2 TIP3 506 26.875 38.362 -16.994 1.00 0.00 WT2 H ATOM 27412 OH2 TIP3 507 22.651 24.438 -15.776 1.00 0.00 WT2 O ATOM 27413 H1 TIP3 507 23.111 24.462 -16.615 1.00 0.00 WT2 H ATOM 27414 H2 TIP3 507 23.291 24.076 -15.162 1.00 0.00 WT2 H ATOM 27415 OH2 TIP3 508 61.574 96.744 1.171 1.00 0.00 WT2 O ATOM 27416 H1 TIP3 508 62.224 96.469 1.818 1.00 0.00 WT2 H ATOM 27417 H2 TIP3 508 60.867 96.104 1.255 1.00 0.00 WT2 H ATOM 27418 OH2 TIP3 509 64.160 0.032 -4.999 1.00 0.00 WT2 O ATOM 27419 H1 TIP3 509 65.056 0.248 -4.743 1.00 0.00 WT2 H ATOM 27420 H2 TIP3 509 64.040 0.469 -5.843 1.00 0.00 WT2 H ATOM 27421 OH2 TIP3 511 86.056 79.748 36.377 1.00 0.00 WT2 O ATOM 27422 H1 TIP3 511 86.716 80.372 36.678 1.00 0.00 WT2 H ATOM 27423 H2 TIP3 511 85.601 79.476 37.175 1.00 0.00 WT2 H ATOM 27424 OH2 TIP3 512 66.879 11.086 19.634 1.00 0.00 WT2 O ATOM 27425 H1 TIP3 512 66.802 10.143 19.777 1.00 0.00 WT2 H ATOM 27426 H2 TIP3 512 66.940 11.459 20.513 1.00 0.00 WT2 H ATOM 27427 OH2 TIP3 513 20.583 10.048 -2.712 1.00 0.00 WT2 O ATOM 27428 H1 TIP3 513 20.700 10.271 -3.636 1.00 0.00 WT2 H ATOM 27429 H2 TIP3 513 21.137 10.672 -2.243 1.00 0.00 WT2 H ATOM 27430 OH2 TIP3 517 25.531 6.076 16.262 1.00 0.00 WT2 O ATOM 27431 H1 TIP3 517 26.344 6.462 15.937 1.00 0.00 WT2 H ATOM 27432 H2 TIP3 517 24.962 6.826 16.435 1.00 0.00 WT2 H ATOM 27433 OH2 TIP3 528 54.499 49.029 43.966 1.00 0.00 WT2 O ATOM 27434 H1 TIP3 528 54.878 48.960 43.089 1.00 0.00 WT2 H ATOM 27435 H2 TIP3 528 54.877 49.831 44.327 1.00 0.00 WT2 H ATOM 27436 OH2 TIP3 529 37.965 11.040 1.361 1.00 0.00 WT2 O ATOM 27437 H1 TIP3 529 37.322 10.551 0.848 1.00 0.00 WT2 H ATOM 27438 H2 TIP3 529 38.797 10.883 0.915 1.00 0.00 WT2 H ATOM 27439 OH2 TIP3 530 90.003 6.691 54.426 1.00 0.00 WT2 O ATOM 27440 H1 TIP3 530 89.331 6.012 54.357 1.00 0.00 WT2 H ATOM 27441 H2 TIP3 530 90.234 6.706 55.355 1.00 0.00 WT2 H ATOM 27442 OH2 TIP3 532 53.897 91.848 63.981 1.00 0.00 WT2 O ATOM 27443 H1 TIP3 532 54.770 91.540 63.737 1.00 0.00 WT2 H ATOM 27444 H2 TIP3 532 53.445 91.063 64.292 1.00 0.00 WT2 H ATOM 27445 OH2 TIP3 533 58.360 19.841 53.547 1.00 0.00 WT2 O ATOM 27446 H1 TIP3 533 57.580 20.322 53.271 1.00 0.00 WT2 H ATOM 27447 H2 TIP3 533 58.794 19.598 52.729 1.00 0.00 WT2 H ATOM 27448 OH2 TIP3 535 71.801 34.645 -5.537 1.00 0.00 WT2 O ATOM 27449 H1 TIP3 535 72.204 34.286 -6.328 1.00 0.00 WT2 H ATOM 27450 H2 TIP3 535 70.890 34.803 -5.784 1.00 0.00 WT2 H ATOM 27451 OH2 TIP3 543 59.796 12.885 35.474 1.00 0.00 WT2 O ATOM 27452 H1 TIP3 543 59.447 13.766 35.337 1.00 0.00 WT2 H ATOM 27453 H2 TIP3 543 59.951 12.549 34.591 1.00 0.00 WT2 H ATOM 27454 OH2 TIP3 547 82.257 75.218 8.992 1.00 0.00 WT2 O ATOM 27455 H1 TIP3 547 81.910 74.428 8.578 1.00 0.00 WT2 H ATOM 27456 H2 TIP3 547 82.521 74.933 9.867 1.00 0.00 WT2 H ATOM 27457 OH2 TIP3 549 82.066 60.844 35.495 1.00 0.00 WT2 O ATOM 27458 H1 TIP3 549 81.565 60.598 36.273 1.00 0.00 WT2 H ATOM 27459 H2 TIP3 549 82.980 60.805 35.777 1.00 0.00 WT2 H ATOM 27460 OH2 TIP3 550 74.939 73.727 40.142 1.00 0.00 WT2 O ATOM 27461 H1 TIP3 550 74.462 72.916 40.319 1.00 0.00 WT2 H ATOM 27462 H2 TIP3 550 75.862 73.472 40.162 1.00 0.00 WT2 H ATOM 27463 OH2 TIP3 551 46.618 1.202 63.246 1.00 0.00 WT2 O ATOM 27464 H1 TIP3 551 46.385 1.810 63.947 1.00 0.00 WT2 H ATOM 27465 H2 TIP3 551 46.235 0.367 63.515 1.00 0.00 WT2 H ATOM 27466 OH2 TIP3 554 31.686 15.964 -5.948 1.00 0.00 WT2 O ATOM 27467 H1 TIP3 554 31.675 15.392 -6.716 1.00 0.00 WT2 H ATOM 27468 H2 TIP3 554 31.649 15.366 -5.203 1.00 0.00 WT2 H ATOM 27469 OH2 TIP3 558 64.251 36.151 56.981 1.00 0.00 WT2 O ATOM 27470 H1 TIP3 558 64.188 36.927 57.538 1.00 0.00 WT2 H ATOM 27471 H2 TIP3 558 63.390 36.079 56.570 1.00 0.00 WT2 H ATOM 27472 OH2 TIP3 562 80.047 16.532 49.651 1.00 0.00 WT2 O ATOM 27473 H1 TIP3 562 79.897 15.873 48.973 1.00 0.00 WT2 H ATOM 27474 H2 TIP3 562 80.413 17.281 49.180 1.00 0.00 WT2 H ATOM 27475 OH2 TIP3 568 58.177 13.570 1.392 1.00 0.00 WT2 O ATOM 27476 H1 TIP3 568 57.767 13.172 0.625 1.00 0.00 WT2 H ATOM 27477 H2 TIP3 568 58.793 14.208 1.031 1.00 0.00 WT2 H ATOM 27478 OH2 TIP3 570 77.967 93.251 33.322 1.00 0.00 WT2 O ATOM 27479 H1 TIP3 570 77.387 92.492 33.262 1.00 0.00 WT2 H ATOM 27480 H2 TIP3 570 78.687 92.959 33.882 1.00 0.00 WT2 H ATOM 27481 OH2 TIP3 572 79.679 53.477 28.198 1.00 0.00 WT2 O ATOM 27482 H1 TIP3 572 78.874 52.960 28.205 1.00 0.00 WT2 H ATOM 27483 H2 TIP3 572 79.399 54.360 28.436 1.00 0.00 WT2 H ATOM 27484 OH2 TIP3 573 39.346 42.391 65.788 1.00 0.00 WT2 O ATOM 27485 H1 TIP3 573 40.046 42.975 66.080 1.00 0.00 WT2 H ATOM 27486 H2 TIP3 573 39.336 42.486 64.836 1.00 0.00 WT2 H ATOM 27487 OH2 TIP3 574 24.159 5.219 40.678 1.00 0.00 WT2 O ATOM 27488 H1 TIP3 574 23.750 5.501 39.859 1.00 0.00 WT2 H ATOM 27489 H2 TIP3 574 24.955 4.765 40.404 1.00 0.00 WT2 H ATOM 27490 OH2 TIP3 575 66.272 31.503 35.654 1.00 0.00 WT2 O ATOM 27491 H1 TIP3 575 65.435 31.589 35.197 1.00 0.00 WT2 H ATOM 27492 H2 TIP3 575 66.534 32.403 35.846 1.00 0.00 WT2 H ATOM 27493 OH2 TIP3 584 51.455 65.613 59.723 1.00 0.00 WT2 O ATOM 27494 H1 TIP3 584 51.257 66.192 58.986 1.00 0.00 WT2 H ATOM 27495 H2 TIP3 584 51.123 64.757 59.451 1.00 0.00 WT2 H ATOM 27496 OH2 TIP3 588 26.334 91.750 59.873 1.00 0.00 WT2 O ATOM 27497 H1 TIP3 588 26.092 92.244 59.090 1.00 0.00 WT2 H ATOM 27498 H2 TIP3 588 25.833 92.158 60.579 1.00 0.00 WT2 H ATOM 27499 OH2 TIP3 591 26.145 14.249 66.979 1.00 0.00 WT2 O ATOM 27500 H1 TIP3 591 26.858 13.614 67.050 1.00 0.00 WT2 H ATOM 27501 H2 TIP3 591 26.491 14.935 66.408 1.00 0.00 WT2 H ATOM 27502 OH2 TIP3 592 41.233 40.701 62.284 1.00 0.00 WT2 O ATOM 27503 H1 TIP3 592 41.835 41.248 62.789 1.00 0.00 WT2 H ATOM 27504 H2 TIP3 592 41.742 39.918 62.071 1.00 0.00 WT2 H ATOM 27505 OH2 TIP3 593 38.008 41.404 33.567 1.00 0.00 WT2 O ATOM 27506 H1 TIP3 593 38.705 41.227 32.935 1.00 0.00 WT2 H ATOM 27507 H2 TIP3 593 38.116 42.329 33.790 1.00 0.00 WT2 H ATOM 27508 OH2 TIP3 594 63.224 78.113 -19.566 1.00 0.00 WT2 O ATOM 27509 H1 TIP3 594 62.491 77.642 -19.961 1.00 0.00 WT2 H ATOM 27510 H2 TIP3 594 63.999 77.616 -19.828 1.00 0.00 WT2 H ATOM 27511 OH2 TIP3 595 68.728 68.940 59.783 1.00 0.00 WT2 O ATOM 27512 H1 TIP3 595 68.670 68.671 58.866 1.00 0.00 WT2 H ATOM 27513 H2 TIP3 595 69.426 68.398 60.149 1.00 0.00 WT2 H ATOM 27514 OH2 TIP3 596 25.580 81.771 7.151 1.00 0.00 WT2 O ATOM 27515 H1 TIP3 596 25.248 80.873 7.175 1.00 0.00 WT2 H ATOM 27516 H2 TIP3 596 26.492 81.683 6.875 1.00 0.00 WT2 H ATOM 27517 OH2 TIP3 611 54.711 17.272 -8.411 1.00 0.00 WT2 O ATOM 27518 H1 TIP3 611 55.255 17.280 -7.624 1.00 0.00 WT2 H ATOM 27519 H2 TIP3 611 53.839 17.517 -8.103 1.00 0.00 WT2 H ATOM 27520 OH2 TIP3 612 61.348 66.370 32.243 1.00 0.00 WT2 O ATOM 27521 H1 TIP3 612 61.112 66.948 31.518 1.00 0.00 WT2 H ATOM 27522 H2 TIP3 612 60.573 65.824 32.376 1.00 0.00 WT2 H ATOM 27523 OH2 TIP3 613 27.254 8.145 47.670 1.00 0.00 WT2 O ATOM 27524 H1 TIP3 613 28.106 7.975 47.269 1.00 0.00 WT2 H ATOM 27525 H2 TIP3 613 27.452 8.692 48.430 1.00 0.00 WT2 H ATOM 27526 OH2 TIP3 616 55.044 87.588 64.907 1.00 0.00 WT2 O ATOM 27527 H1 TIP3 616 54.815 86.669 65.043 1.00 0.00 WT2 H ATOM 27528 H2 TIP3 616 55.999 87.608 64.962 1.00 0.00 WT2 H ATOM 27529 OH2 TIP3 617 63.051 27.778 48.585 1.00 0.00 WT2 O ATOM 27530 H1 TIP3 617 63.564 28.188 49.282 1.00 0.00 WT2 H ATOM 27531 H2 TIP3 617 63.165 26.838 48.725 1.00 0.00 WT2 H ATOM 27532 OH2 TIP3 619 36.965 28.498 19.769 1.00 0.00 WT2 O ATOM 27533 H1 TIP3 619 36.172 28.886 20.138 1.00 0.00 WT2 H ATOM 27534 H2 TIP3 619 36.898 28.665 18.828 1.00 0.00 WT2 H ATOM 27535 OH2 TIP3 632 80.326 20.610 0.582 1.00 0.00 WT2 O ATOM 27536 H1 TIP3 632 81.153 20.323 0.195 1.00 0.00 WT2 H ATOM 27537 H2 TIP3 632 80.495 21.506 0.872 1.00 0.00 WT2 H ATOM 27538 OH2 TIP3 634 76.398 43.574 33.342 1.00 0.00 WT2 O ATOM 27539 H1 TIP3 634 76.571 44.494 33.140 1.00 0.00 WT2 H ATOM 27540 H2 TIP3 634 76.389 43.536 34.298 1.00 0.00 WT2 H ATOM 27541 OH2 TIP3 635 48.256 34.077 -9.704 1.00 0.00 WT2 O ATOM 27542 H1 TIP3 635 48.321 33.137 -9.537 1.00 0.00 WT2 H ATOM 27543 H2 TIP3 635 48.337 34.480 -8.839 1.00 0.00 WT2 H ATOM 27544 OH2 TIP3 638 24.597 43.085 37.528 1.00 0.00 WT2 O ATOM 27545 H1 TIP3 638 24.757 42.147 37.419 1.00 0.00 WT2 H ATOM 27546 H2 TIP3 638 23.786 43.247 37.047 1.00 0.00 WT2 H ATOM 27547 OH2 TIP3 640 39.897 19.064 29.385 1.00 0.00 WT2 O ATOM 27548 H1 TIP3 640 39.158 19.608 29.114 1.00 0.00 WT2 H ATOM 27549 H2 TIP3 640 39.583 18.165 29.286 1.00 0.00 WT2 H ATOM 27550 OH2 TIP3 653 44.172 34.267 -16.336 1.00 0.00 WT2 O ATOM 27551 H1 TIP3 653 45.032 34.353 -16.747 1.00 0.00 WT2 H ATOM 27552 H2 TIP3 653 44.336 33.763 -15.539 1.00 0.00 WT2 H ATOM 27553 OH2 TIP3 654 44.201 17.675 35.811 1.00 0.00 WT2 O ATOM 27554 H1 TIP3 654 44.339 17.761 34.868 1.00 0.00 WT2 H ATOM 27555 H2 TIP3 654 44.996 18.036 36.204 1.00 0.00 WT2 H ATOM 27556 OH2 TIP3 656 61.873 50.403 1.759 1.00 0.00 WT2 O ATOM 27557 H1 TIP3 656 61.640 50.576 2.671 1.00 0.00 WT2 H ATOM 27558 H2 TIP3 656 62.088 49.470 1.740 1.00 0.00 WT2 H ATOM 27559 OH2 TIP3 657 43.910 48.513 42.637 1.00 0.00 WT2 O ATOM 27560 H1 TIP3 657 43.741 49.435 42.835 1.00 0.00 WT2 H ATOM 27561 H2 TIP3 657 43.418 48.347 41.833 1.00 0.00 WT2 H ATOM 27562 OH2 TIP3 659 79.393 73.029 27.207 1.00 0.00 WT2 O ATOM 27563 H1 TIP3 659 79.085 72.123 27.181 1.00 0.00 WT2 H ATOM 27564 H2 TIP3 659 80.008 73.052 27.940 1.00 0.00 WT2 H ATOM 27565 OH2 TIP3 660 31.811 56.305 43.455 1.00 0.00 WT2 O ATOM 27566 H1 TIP3 660 31.688 55.857 44.291 1.00 0.00 WT2 H ATOM 27567 H2 TIP3 660 32.751 56.478 43.410 1.00 0.00 WT2 H ATOM 27568 OH2 TIP3 672 48.124 33.073 50.822 1.00 0.00 WT2 O ATOM 27569 H1 TIP3 672 47.785 33.900 50.480 1.00 0.00 WT2 H ATOM 27570 H2 TIP3 672 48.907 32.899 50.299 1.00 0.00 WT2 H ATOM 27571 OH2 TIP3 674 76.616 68.319 58.762 1.00 0.00 WT2 O ATOM 27572 H1 TIP3 674 75.852 68.215 59.329 1.00 0.00 WT2 H ATOM 27573 H2 TIP3 674 76.821 67.431 58.470 1.00 0.00 WT2 H ATOM 27574 OH2 TIP3 675 78.098 51.065 12.724 1.00 0.00 WT2 O ATOM 27575 H1 TIP3 675 78.022 51.026 11.771 1.00 0.00 WT2 H ATOM 27576 H2 TIP3 675 78.269 51.988 12.914 1.00 0.00 WT2 H ATOM 27577 OH2 TIP3 676 89.734 37.238 53.222 1.00 0.00 WT2 O ATOM 27578 H1 TIP3 676 90.402 37.792 52.819 1.00 0.00 WT2 H ATOM 27579 H2 TIP3 676 88.911 37.701 53.064 1.00 0.00 WT2 H ATOM 27580 OH2 TIP3 677 36.541 74.968 8.447 1.00 0.00 WT2 O ATOM 27581 H1 TIP3 677 37.097 74.213 8.258 1.00 0.00 WT2 H ATOM 27582 H2 TIP3 677 36.984 75.419 9.166 1.00 0.00 WT2 H ATOM 27583 OH2 TIP3 680 73.967 30.463 4.481 1.00 0.00 WT2 O ATOM 27584 H1 TIP3 680 73.176 30.481 5.021 1.00 0.00 WT2 H ATOM 27585 H2 TIP3 680 74.504 29.770 4.864 1.00 0.00 WT2 H ATOM 27586 OH2 TIP3 682 46.927 14.209 48.551 1.00 0.00 WT2 O ATOM 27587 H1 TIP3 682 47.168 13.593 47.859 1.00 0.00 WT2 H ATOM 27588 H2 TIP3 682 46.705 15.016 48.087 1.00 0.00 WT2 H ATOM 27589 OH2 TIP3 683 77.894 44.791 -8.201 1.00 0.00 WT2 O ATOM 27590 H1 TIP3 683 77.946 44.396 -7.331 1.00 0.00 WT2 H ATOM 27591 H2 TIP3 683 77.443 45.623 -8.060 1.00 0.00 WT2 H ATOM 27592 OH2 TIP3 692 53.940 34.939 36.237 1.00 0.00 WT2 O ATOM 27593 H1 TIP3 692 53.049 35.086 35.919 1.00 0.00 WT2 H ATOM 27594 H2 TIP3 692 54.489 35.482 35.672 1.00 0.00 WT2 H ATOM 27595 OH2 TIP3 695 67.129 39.487 64.292 1.00 0.00 WT2 O ATOM 27596 H1 TIP3 695 67.951 39.802 63.915 1.00 0.00 WT2 H ATOM 27597 H2 TIP3 695 67.397 38.832 64.937 1.00 0.00 WT2 H ATOM 27598 OH2 TIP3 696 73.680 69.523 13.618 1.00 0.00 WT2 O ATOM 27599 H1 TIP3 696 73.501 68.701 14.074 1.00 0.00 WT2 H ATOM 27600 H2 TIP3 696 72.934 69.639 13.030 1.00 0.00 WT2 H ATOM 27601 OH2 TIP3 697 81.892 78.533 14.468 1.00 0.00 WT2 O ATOM 27602 H1 TIP3 697 81.395 79.142 13.922 1.00 0.00 WT2 H ATOM 27603 H2 TIP3 697 82.552 78.167 13.880 1.00 0.00 WT2 H ATOM 27604 OH2 TIP3 698 25.195 49.777 53.024 1.00 0.00 WT2 O ATOM 27605 H1 TIP3 698 24.842 50.319 52.318 1.00 0.00 WT2 H ATOM 27606 H2 TIP3 698 26.026 49.449 52.682 1.00 0.00 WT2 H ATOM 27607 OH2 TIP3 699 69.166 17.239 -4.304 1.00 0.00 WT2 O ATOM 27608 H1 TIP3 699 68.771 17.447 -3.457 1.00 0.00 WT2 H ATOM 27609 H2 TIP3 699 69.670 18.021 -4.531 1.00 0.00 WT2 H ATOM 27610 OH2 TIP3 715 34.158 96.101 15.589 1.00 0.00 WT2 O ATOM 27611 H1 TIP3 715 34.532 95.327 15.166 1.00 0.00 WT2 H ATOM 27612 H2 TIP3 715 33.493 96.412 14.975 1.00 0.00 WT2 H ATOM 27613 OH2 TIP3 716 86.374 16.573 53.579 1.00 0.00 WT2 O ATOM 27614 H1 TIP3 716 86.494 17.288 52.954 1.00 0.00 WT2 H ATOM 27615 H2 TIP3 716 85.746 16.914 54.216 1.00 0.00 WT2 H ATOM 27616 OH2 TIP3 717 73.639 58.997 10.823 1.00 0.00 WT2 O ATOM 27617 H1 TIP3 717 72.987 59.211 10.156 1.00 0.00 WT2 H ATOM 27618 H2 TIP3 717 73.133 58.899 11.630 1.00 0.00 WT2 H ATOM 27619 OH2 TIP3 718 63.815 57.022 -0.528 1.00 0.00 WT2 O ATOM 27620 H1 TIP3 718 63.963 57.400 0.338 1.00 0.00 WT2 H ATOM 27621 H2 TIP3 718 63.105 56.393 -0.398 1.00 0.00 WT2 H ATOM 27622 OH2 TIP3 719 25.979 39.284 58.883 1.00 0.00 WT2 O ATOM 27623 H1 TIP3 719 25.226 39.450 59.451 1.00 0.00 WT2 H ATOM 27624 H2 TIP3 719 26.740 39.448 59.440 1.00 0.00 WT2 H ATOM 27625 OH2 TIP3 720 48.354 89.611 19.193 1.00 0.00 WT2 O ATOM 27626 H1 TIP3 720 48.553 90.547 19.236 1.00 0.00 WT2 H ATOM 27627 H2 TIP3 720 48.895 89.284 18.474 1.00 0.00 WT2 H ATOM 27628 OH2 TIP3 721 84.021 62.440 49.272 1.00 0.00 WT2 O ATOM 27629 H1 TIP3 721 84.769 63.034 49.218 1.00 0.00 WT2 H ATOM 27630 H2 TIP3 721 84.002 61.999 48.422 1.00 0.00 WT2 H ATOM 27631 OH2 TIP3 735 67.430 64.602 59.803 1.00 0.00 WT2 O ATOM 27632 H1 TIP3 735 68.003 65.001 60.458 1.00 0.00 WT2 H ATOM 27633 H2 TIP3 735 67.970 64.543 59.015 1.00 0.00 WT2 H ATOM 27634 OH2 TIP3 736 36.582 62.259 41.771 1.00 0.00 WT2 O ATOM 27635 H1 TIP3 736 37.271 62.720 42.250 1.00 0.00 WT2 H ATOM 27636 H2 TIP3 736 36.667 62.571 40.870 1.00 0.00 WT2 H ATOM 27637 OH2 TIP3 738 45.824 2.614 -8.460 1.00 0.00 WT2 O ATOM 27638 H1 TIP3 738 45.947 1.676 -8.601 1.00 0.00 WT2 H ATOM 27639 H2 TIP3 738 45.335 2.910 -9.228 1.00 0.00 WT2 H ATOM 27640 OH2 TIP3 739 32.757 66.528 61.529 1.00 0.00 WT2 O ATOM 27641 H1 TIP3 739 33.569 66.110 61.241 1.00 0.00 WT2 H ATOM 27642 H2 TIP3 739 32.069 65.908 61.288 1.00 0.00 WT2 H ATOM 27643 OH2 TIP3 740 47.915 38.532 35.542 1.00 0.00 WT2 O ATOM 27644 H1 TIP3 740 47.595 38.856 34.700 1.00 0.00 WT2 H ATOM 27645 H2 TIP3 740 47.846 37.580 35.475 1.00 0.00 WT2 H ATOM 27646 OH2 TIP3 741 26.362 17.750 -10.671 1.00 0.00 WT2 O ATOM 27647 H1 TIP3 741 25.914 17.244 -11.349 1.00 0.00 WT2 H ATOM 27648 H2 TIP3 741 26.361 18.648 -11.001 1.00 0.00 WT2 H ATOM 27649 OH2 TIP3 744 31.390 66.271 3.693 1.00 0.00 WT2 O ATOM 27650 H1 TIP3 744 31.690 66.876 3.015 1.00 0.00 WT2 H ATOM 27651 H2 TIP3 744 31.309 66.811 4.479 1.00 0.00 WT2 H ATOM 27652 OH2 TIP3 746 21.412 73.380 51.635 1.00 0.00 WT2 O ATOM 27653 H1 TIP3 746 21.627 72.449 51.577 1.00 0.00 WT2 H ATOM 27654 H2 TIP3 746 22.076 73.814 51.100 1.00 0.00 WT2 H ATOM 27655 OH2 TIP3 757 52.896 15.885 28.735 1.00 0.00 WT2 O ATOM 27656 H1 TIP3 757 53.326 16.685 28.433 1.00 0.00 WT2 H ATOM 27657 H2 TIP3 757 52.008 15.942 28.380 1.00 0.00 WT2 H ATOM 27658 OH2 TIP3 758 22.832 94.262 4.486 1.00 0.00 WT2 O ATOM 27659 H1 TIP3 758 23.742 93.971 4.429 1.00 0.00 WT2 H ATOM 27660 H2 TIP3 758 22.830 95.129 4.081 1.00 0.00 WT2 H ATOM 27661 OH2 TIP3 759 23.777 3.684 63.979 1.00 0.00 WT2 O ATOM 27662 H1 TIP3 759 23.561 2.807 63.664 1.00 0.00 WT2 H ATOM 27663 H2 TIP3 759 24.397 4.024 63.333 1.00 0.00 WT2 H ATOM 27664 OH2 TIP3 760 37.703 27.363 3.153 1.00 0.00 WT2 O ATOM 27665 H1 TIP3 760 38.515 27.716 2.790 1.00 0.00 WT2 H ATOM 27666 H2 TIP3 760 37.650 27.739 4.032 1.00 0.00 WT2 H ATOM 27667 OH2 TIP3 765 21.099 57.936 60.338 1.00 0.00 WT2 O ATOM 27668 H1 TIP3 765 21.231 57.321 61.060 1.00 0.00 WT2 H ATOM 27669 H2 TIP3 765 21.910 58.445 60.306 1.00 0.00 WT2 H ATOM 27670 OH2 TIP3 766 65.609 9.398 65.991 1.00 0.00 WT2 O ATOM 27671 H1 TIP3 766 65.649 9.221 66.931 1.00 0.00 WT2 H ATOM 27672 H2 TIP3 766 66.437 9.835 65.793 1.00 0.00 WT2 H ATOM 27673 OH2 TIP3 776 63.957 47.357 31.179 1.00 0.00 WT2 O ATOM 27674 H1 TIP3 776 63.682 46.550 30.743 1.00 0.00 WT2 H ATOM 27675 H2 TIP3 776 63.324 48.014 30.889 1.00 0.00 WT2 H ATOM 27676 OH2 TIP3 778 85.566 75.703 47.200 1.00 0.00 WT2 O ATOM 27677 H1 TIP3 778 84.954 76.408 46.985 1.00 0.00 WT2 H ATOM 27678 H2 TIP3 778 85.224 74.939 46.737 1.00 0.00 WT2 H ATOM 27679 OH2 TIP3 780 79.137 62.581 63.635 1.00 0.00 WT2 O ATOM 27680 H1 TIP3 780 78.965 62.419 64.563 1.00 0.00 WT2 H ATOM 27681 H2 TIP3 780 78.268 62.671 63.243 1.00 0.00 WT2 H ATOM 27682 OH2 TIP3 781 75.421 62.477 34.326 1.00 0.00 WT2 O ATOM 27683 H1 TIP3 781 75.425 62.045 35.181 1.00 0.00 WT2 H ATOM 27684 H2 TIP3 781 75.279 61.767 33.700 1.00 0.00 WT2 H ATOM 27685 OH2 TIP3 782 79.265 65.700 53.576 1.00 0.00 WT2 O ATOM 27686 H1 TIP3 782 78.988 66.087 52.745 1.00 0.00 WT2 H ATOM 27687 H2 TIP3 782 79.958 66.281 53.892 1.00 0.00 WT2 H ATOM 27688 OH2 TIP3 783 45.182 63.222 3.090 1.00 0.00 WT2 O ATOM 27689 H1 TIP3 783 44.456 63.781 3.364 1.00 0.00 WT2 H ATOM 27690 H2 TIP3 783 45.827 63.303 3.793 1.00 0.00 WT2 H ATOM 27691 OH2 TIP3 784 63.000 90.300 -10.694 1.00 0.00 WT2 O ATOM 27692 H1 TIP3 784 62.225 90.433 -10.149 1.00 0.00 WT2 H ATOM 27693 H2 TIP3 784 63.722 90.222 -10.069 1.00 0.00 WT2 H ATOM 27694 OH2 TIP3 785 65.482 51.221 59.365 1.00 0.00 WT2 O ATOM 27695 H1 TIP3 785 65.474 52.132 59.656 1.00 0.00 WT2 H ATOM 27696 H2 TIP3 785 65.289 51.267 58.428 1.00 0.00 WT2 H ATOM 27697 OH2 TIP3 801 21.090 25.650 48.076 1.00 0.00 WT2 O ATOM 27698 H1 TIP3 801 20.266 25.343 48.452 1.00 0.00 WT2 H ATOM 27699 H2 TIP3 801 21.765 25.148 48.532 1.00 0.00 WT2 H ATOM 27700 OH2 TIP3 802 88.050 45.647 63.363 1.00 0.00 WT2 O ATOM 27701 H1 TIP3 802 87.243 45.548 63.869 1.00 0.00 WT2 H ATOM 27702 H2 TIP3 802 88.750 45.450 63.986 1.00 0.00 WT2 H ATOM 27703 OH2 TIP3 803 22.738 57.111 10.845 1.00 0.00 WT2 O ATOM 27704 H1 TIP3 803 22.087 56.736 11.438 1.00 0.00 WT2 H ATOM 27705 H2 TIP3 803 23.557 57.087 11.341 1.00 0.00 WT2 H ATOM 27706 OH2 TIP3 804 33.727 25.584 -15.663 1.00 0.00 WT2 O ATOM 27707 H1 TIP3 804 33.501 26.313 -16.239 1.00 0.00 WT2 H ATOM 27708 H2 TIP3 804 34.441 25.134 -16.115 1.00 0.00 WT2 H ATOM 27709 OH2 TIP3 805 63.414 83.409 60.226 1.00 0.00 WT2 O ATOM 27710 H1 TIP3 805 63.272 84.344 60.374 1.00 0.00 WT2 H ATOM 27711 H2 TIP3 805 62.538 83.025 60.257 1.00 0.00 WT2 H ATOM 27712 OH2 TIP3 807 89.565 65.849 -16.714 1.00 0.00 WT2 O ATOM 27713 H1 TIP3 807 89.874 66.389 -15.986 1.00 0.00 WT2 H ATOM 27714 H2 TIP3 807 90.255 65.197 -16.838 1.00 0.00 WT2 H ATOM 27715 OH2 TIP3 809 60.828 28.968 -11.787 1.00 0.00 WT2 O ATOM 27716 H1 TIP3 809 60.952 28.462 -10.984 1.00 0.00 WT2 H ATOM 27717 H2 TIP3 809 59.948 29.336 -11.705 1.00 0.00 WT2 H ATOM 27718 OH2 TIP3 817 47.719 29.932 40.113 1.00 0.00 WT2 O ATOM 27719 H1 TIP3 817 48.108 30.278 40.916 1.00 0.00 WT2 H ATOM 27720 H2 TIP3 817 47.136 30.628 39.809 1.00 0.00 WT2 H ATOM 27721 OH2 TIP3 822 39.572 19.372 34.388 1.00 0.00 WT2 O ATOM 27722 H1 TIP3 822 40.011 19.463 33.542 1.00 0.00 WT2 H ATOM 27723 H2 TIP3 822 38.711 19.012 34.174 1.00 0.00 WT2 H ATOM 27724 OH2 TIP3 823 63.231 16.804 27.186 1.00 0.00 WT2 O ATOM 27725 H1 TIP3 823 64.167 16.965 27.304 1.00 0.00 WT2 H ATOM 27726 H2 TIP3 823 63.024 17.202 26.340 1.00 0.00 WT2 H ATOM 27727 OH2 TIP3 824 73.194 38.002 17.454 1.00 0.00 WT2 O ATOM 27728 H1 TIP3 824 72.453 37.467 17.171 1.00 0.00 WT2 H ATOM 27729 H2 TIP3 824 73.893 37.372 17.628 1.00 0.00 WT2 H ATOM 27730 OH2 TIP3 826 78.634 46.020 -4.314 1.00 0.00 WT2 O ATOM 27731 H1 TIP3 826 79.315 46.273 -3.691 1.00 0.00 WT2 H ATOM 27732 H2 TIP3 826 78.616 46.732 -4.953 1.00 0.00 WT2 H ATOM 27733 OH2 TIP3 843 79.614 27.118 9.472 1.00 0.00 WT2 O ATOM 27734 H1 TIP3 843 80.568 27.145 9.405 1.00 0.00 WT2 H ATOM 27735 H2 TIP3 843 79.439 26.482 10.165 1.00 0.00 WT2 H ATOM 27736 OH2 TIP3 845 45.431 13.482 58.444 1.00 0.00 WT2 O ATOM 27737 H1 TIP3 845 44.618 12.986 58.353 1.00 0.00 WT2 H ATOM 27738 H2 TIP3 845 46.121 12.854 58.228 1.00 0.00 WT2 H ATOM 27739 OH2 TIP3 846 57.646 80.563 34.550 1.00 0.00 WT2 O ATOM 27740 H1 TIP3 846 57.554 79.723 34.999 1.00 0.00 WT2 H ATOM 27741 H2 TIP3 846 56.998 80.531 33.846 1.00 0.00 WT2 H ATOM 27742 OH2 TIP3 847 51.035 67.511 27.723 1.00 0.00 WT2 O ATOM 27743 H1 TIP3 847 50.263 66.991 27.946 1.00 0.00 WT2 H ATOM 27744 H2 TIP3 847 51.447 67.032 27.003 1.00 0.00 WT2 H ATOM 27745 OH2 TIP3 848 27.577 7.200 15.107 1.00 0.00 WT2 O ATOM 27746 H1 TIP3 848 28.186 7.474 14.420 1.00 0.00 WT2 H ATOM 27747 H2 TIP3 848 28.140 6.930 15.832 1.00 0.00 WT2 H ATOM 27748 OH2 TIP3 849 78.242 83.863 26.952 1.00 0.00 WT2 O ATOM 27749 H1 TIP3 849 77.929 83.410 27.735 1.00 0.00 WT2 H ATOM 27750 H2 TIP3 849 77.563 83.706 26.296 1.00 0.00 WT2 H ATOM 27751 OH2 TIP3 862 80.655 55.494 7.370 1.00 0.00 WT2 O ATOM 27752 H1 TIP3 862 81.422 55.383 7.931 1.00 0.00 WT2 H ATOM 27753 H2 TIP3 862 79.918 55.550 7.978 1.00 0.00 WT2 H ATOM 27754 OH2 TIP3 865 40.110 40.476 37.751 1.00 0.00 WT2 O ATOM 27755 H1 TIP3 865 40.074 39.775 37.100 1.00 0.00 WT2 H ATOM 27756 H2 TIP3 865 40.866 40.258 38.297 1.00 0.00 WT2 H ATOM 27757 OH2 TIP3 866 25.958 93.628 8.439 1.00 0.00 WT2 O ATOM 27758 H1 TIP3 866 25.181 93.068 8.418 1.00 0.00 WT2 H ATOM 27759 H2 TIP3 866 25.701 94.374 8.981 1.00 0.00 WT2 H ATOM 27760 OH2 TIP3 867 31.421 78.780 60.084 1.00 0.00 WT2 O ATOM 27761 H1 TIP3 867 31.369 78.196 60.840 1.00 0.00 WT2 H ATOM 27762 H2 TIP3 867 31.781 78.235 59.384 1.00 0.00 WT2 H ATOM 27763 OH2 TIP3 883 85.741 55.828 -2.400 1.00 0.00 WT2 O ATOM 27764 H1 TIP3 883 85.286 55.888 -1.560 1.00 0.00 WT2 H ATOM 27765 H2 TIP3 883 86.348 55.096 -2.292 1.00 0.00 WT2 H ATOM 27766 OH2 TIP3 885 65.553 34.542 63.159 1.00 0.00 WT2 O ATOM 27767 H1 TIP3 885 66.209 34.405 62.476 1.00 0.00 WT2 H ATOM 27768 H2 TIP3 885 66.007 35.051 63.830 1.00 0.00 WT2 H ATOM 27769 OH2 TIP3 887 38.413 0.173 31.746 1.00 0.00 WT2 O ATOM 27770 H1 TIP3 887 38.052 0.831 32.340 1.00 0.00 WT2 H ATOM 27771 H2 TIP3 887 38.420 -0.635 32.259 1.00 0.00 WT2 H ATOM 27772 OH2 TIP3 888 35.317 3.153 6.139 1.00 0.00 WT2 O ATOM 27773 H1 TIP3 888 34.430 2.883 5.901 1.00 0.00 WT2 H ATOM 27774 H2 TIP3 888 35.337 3.095 7.094 1.00 0.00 WT2 H ATOM 27775 OH2 TIP3 891 32.598 52.104 58.773 1.00 0.00 WT2 O ATOM 27776 H1 TIP3 891 32.745 53.017 59.019 1.00 0.00 WT2 H ATOM 27777 H2 TIP3 891 32.464 51.650 59.605 1.00 0.00 WT2 H ATOM 27778 OH2 TIP3 905 23.649 41.144 50.577 1.00 0.00 WT2 O ATOM 27779 H1 TIP3 905 24.210 40.859 51.298 1.00 0.00 WT2 H ATOM 27780 H2 TIP3 905 23.458 40.343 50.089 1.00 0.00 WT2 H ATOM 27781 OH2 TIP3 906 35.757 37.870 4.686 1.00 0.00 WT2 O ATOM 27782 H1 TIP3 906 36.533 38.048 5.218 1.00 0.00 WT2 H ATOM 27783 H2 TIP3 906 35.823 38.482 3.953 1.00 0.00 WT2 H ATOM 27784 OH2 TIP3 907 76.481 59.057 -3.414 1.00 0.00 WT2 O ATOM 27785 H1 TIP3 907 76.468 59.975 -3.687 1.00 0.00 WT2 H ATOM 27786 H2 TIP3 907 76.692 58.573 -4.212 1.00 0.00 WT2 H ATOM 27787 OH2 TIP3 908 58.439 21.681 57.093 1.00 0.00 WT2 O ATOM 27788 H1 TIP3 908 58.248 22.091 57.937 1.00 0.00 WT2 H ATOM 27789 H2 TIP3 908 58.703 22.407 56.528 1.00 0.00 WT2 H ATOM 27790 OH2 TIP3 909 39.351 82.882 -10.899 1.00 0.00 WT2 O ATOM 27791 H1 TIP3 909 40.214 82.815 -11.309 1.00 0.00 WT2 H ATOM 27792 H2 TIP3 909 39.522 82.779 -9.963 1.00 0.00 WT2 H ATOM 27793 OH2 TIP3 910 59.090 20.568 10.524 1.00 0.00 WT2 O ATOM 27794 H1 TIP3 910 58.713 21.199 11.137 1.00 0.00 WT2 H ATOM 27795 H2 TIP3 910 58.392 20.403 9.890 1.00 0.00 WT2 H ATOM 27796 OH2 TIP3 912 47.909 4.830 62.842 1.00 0.00 WT2 O ATOM 27797 H1 TIP3 912 48.646 4.573 63.396 1.00 0.00 WT2 H ATOM 27798 H2 TIP3 912 47.670 4.031 62.374 1.00 0.00 WT2 H ATOM 27799 OH2 TIP3 913 81.452 85.437 42.103 1.00 0.00 WT2 O ATOM 27800 H1 TIP3 913 81.107 86.228 41.690 1.00 0.00 WT2 H ATOM 27801 H2 TIP3 913 82.156 85.149 41.522 1.00 0.00 WT2 H ATOM 27802 OH2 TIP3 924 87.246 23.882 50.543 1.00 0.00 WT2 O ATOM 27803 H1 TIP3 924 87.405 23.017 50.166 1.00 0.00 WT2 H ATOM 27804 H2 TIP3 924 86.343 23.844 50.860 1.00 0.00 WT2 H ATOM 27805 OH2 TIP3 925 24.297 30.082 8.220 1.00 0.00 WT2 O ATOM 27806 H1 TIP3 925 24.245 29.494 8.973 1.00 0.00 WT2 H ATOM 27807 H2 TIP3 925 23.831 29.620 7.523 1.00 0.00 WT2 H ATOM 27808 OH2 TIP3 926 29.809 70.196 9.238 1.00 0.00 WT2 O ATOM 27809 H1 TIP3 926 29.811 71.131 9.035 1.00 0.00 WT2 H ATOM 27810 H2 TIP3 926 30.376 70.115 10.005 1.00 0.00 WT2 H ATOM 27811 OH2 TIP3 927 83.875 30.707 35.510 1.00 0.00 WT2 O ATOM 27812 H1 TIP3 927 83.411 30.994 36.297 1.00 0.00 WT2 H ATOM 27813 H2 TIP3 927 84.748 30.468 35.821 1.00 0.00 WT2 H ATOM 27814 OH2 TIP3 928 71.418 58.756 12.687 1.00 0.00 WT2 O ATOM 27815 H1 TIP3 928 71.043 58.719 13.566 1.00 0.00 WT2 H ATOM 27816 H2 TIP3 928 70.681 58.574 12.103 1.00 0.00 WT2 H ATOM 27817 OH2 TIP3 929 25.791 10.835 30.110 1.00 0.00 WT2 O ATOM 27818 H1 TIP3 929 26.371 11.262 29.480 1.00 0.00 WT2 H ATOM 27819 H2 TIP3 929 26.297 10.092 30.437 1.00 0.00 WT2 H ATOM 27820 OH2 TIP3 930 81.342 38.140 35.396 1.00 0.00 WT2 O ATOM 27821 H1 TIP3 930 80.463 37.830 35.178 1.00 0.00 WT2 H ATOM 27822 H2 TIP3 930 81.566 37.678 36.203 1.00 0.00 WT2 H ATOM 27823 OH2 TIP3 932 55.528 43.579 32.007 1.00 0.00 WT2 O ATOM 27824 H1 TIP3 932 55.219 43.038 31.280 1.00 0.00 WT2 H ATOM 27825 H2 TIP3 932 55.731 44.425 31.607 1.00 0.00 WT2 H ATOM 27826 OH2 TIP3 942 62.731 69.126 -19.717 1.00 0.00 WT2 O ATOM 27827 H1 TIP3 942 63.188 68.286 -19.668 1.00 0.00 WT2 H ATOM 27828 H2 TIP3 942 62.222 69.170 -18.908 1.00 0.00 WT2 H ATOM 27829 OH2 TIP3 947 69.519 63.318 -15.344 1.00 0.00 WT2 O ATOM 27830 H1 TIP3 947 69.219 63.428 -16.247 1.00 0.00 WT2 H ATOM 27831 H2 TIP3 947 69.019 63.964 -14.845 1.00 0.00 WT2 H ATOM 27832 OH2 TIP3 948 25.441 2.871 39.813 1.00 0.00 WT2 O ATOM 27833 H1 TIP3 948 25.431 2.027 40.263 1.00 0.00 WT2 H ATOM 27834 H2 TIP3 948 25.905 2.701 38.993 1.00 0.00 WT2 H ATOM 27835 OH2 TIP3 950 42.814 25.089 58.366 1.00 0.00 WT2 O ATOM 27836 H1 TIP3 950 41.945 25.203 57.981 1.00 0.00 WT2 H ATOM 27837 H2 TIP3 950 42.783 25.591 59.180 1.00 0.00 WT2 H ATOM 27838 OH2 TIP3 951 72.558 69.429 58.586 1.00 0.00 WT2 O ATOM 27839 H1 TIP3 951 72.875 70.228 58.165 1.00 0.00 WT2 H ATOM 27840 H2 TIP3 951 71.648 69.352 58.300 1.00 0.00 WT2 H ATOM 27841 OH2 TIP3 952 83.929 52.315 61.037 1.00 0.00 WT2 O ATOM 27842 H1 TIP3 952 84.551 52.130 61.741 1.00 0.00 WT2 H ATOM 27843 H2 TIP3 952 83.438 53.077 61.345 1.00 0.00 WT2 H ATOM 27844 OH2 TIP3 953 79.641 5.061 57.896 1.00 0.00 WT2 O ATOM 27845 H1 TIP3 953 79.992 5.949 57.817 1.00 0.00 WT2 H ATOM 27846 H2 TIP3 953 78.755 5.121 57.539 1.00 0.00 WT2 H ATOM 27847 OH2 TIP3 956 56.223 45.226 54.837 1.00 0.00 WT2 O ATOM 27848 H1 TIP3 956 55.824 46.073 55.038 1.00 0.00 WT2 H ATOM 27849 H2 TIP3 956 55.482 44.630 54.737 1.00 0.00 WT2 H ATOM 27850 OH2 TIP3 964 25.724 41.348 56.977 1.00 0.00 WT2 O ATOM 27851 H1 TIP3 964 25.058 40.898 56.458 1.00 0.00 WT2 H ATOM 27852 H2 TIP3 964 25.638 40.973 57.854 1.00 0.00 WT2 H ATOM 27853 OH2 TIP3 968 23.418 78.815 4.165 1.00 0.00 WT2 O ATOM 27854 H1 TIP3 968 22.729 79.444 3.954 1.00 0.00 WT2 H ATOM 27855 H2 TIP3 968 24.127 79.021 3.555 1.00 0.00 WT2 H ATOM 27856 OH2 TIP3 969 38.442 87.776 -10.626 1.00 0.00 WT2 O ATOM 27857 H1 TIP3 969 37.611 87.366 -10.865 1.00 0.00 WT2 H ATOM 27858 H2 TIP3 969 38.212 88.400 -9.937 1.00 0.00 WT2 H ATOM 27859 OH2 TIP3 970 34.627 17.188 39.897 1.00 0.00 WT2 O ATOM 27860 H1 TIP3 970 34.690 16.306 39.529 1.00 0.00 WT2 H ATOM 27861 H2 TIP3 970 35.274 17.698 39.409 1.00 0.00 WT2 H ATOM 27862 OH2 TIP3 972 88.879 69.831 -11.485 1.00 0.00 WT2 O ATOM 27863 H1 TIP3 972 89.615 70.322 -11.122 1.00 0.00 WT2 H ATOM 27864 H2 TIP3 972 88.308 69.663 -10.735 1.00 0.00 WT2 H ATOM 27865 OH2 TIP3 974 55.057 38.493 55.417 1.00 0.00 WT2 O ATOM 27866 H1 TIP3 974 54.508 38.785 54.689 1.00 0.00 WT2 H ATOM 27867 H2 TIP3 974 54.442 38.118 56.046 1.00 0.00 WT2 H ATOM 27868 OH2 TIP3 985 67.020 33.472 27.127 1.00 0.00 WT2 O ATOM 27869 H1 TIP3 985 67.175 34.043 26.375 1.00 0.00 WT2 H ATOM 27870 H2 TIP3 985 66.387 32.826 26.811 1.00 0.00 WT2 H ATOM 27871 OH2 TIP3 987 64.848 14.582 54.595 1.00 0.00 WT2 O ATOM 27872 H1 TIP3 987 64.278 14.256 53.898 1.00 0.00 WT2 H ATOM 27873 H2 TIP3 987 64.249 14.829 55.299 1.00 0.00 WT2 H ATOM 27874 OH2 TIP3 988 71.248 24.852 11.853 1.00 0.00 WT2 O ATOM 27875 H1 TIP3 988 71.408 24.321 11.073 1.00 0.00 WT2 H ATOM 27876 H2 TIP3 988 70.691 24.305 12.406 1.00 0.00 WT2 H ATOM 27877 OH2 TIP3 989 33.309 76.000 51.899 1.00 0.00 WT2 O ATOM 27878 H1 TIP3 989 32.591 75.411 51.666 1.00 0.00 WT2 H ATOM 27879 H2 TIP3 989 33.740 76.194 51.067 1.00 0.00 WT2 H ATOM 27880 OH2 TIP3 990 53.891 88.502 10.056 1.00 0.00 WT2 O ATOM 27881 H1 TIP3 990 53.073 88.019 10.168 1.00 0.00 WT2 H ATOM 27882 H2 TIP3 990 54.534 87.834 9.818 1.00 0.00 WT2 H ATOM 27883 OH2 TIP3 991 60.145 78.249 60.379 1.00 0.00 WT2 O ATOM 27884 H1 TIP3 991 60.978 78.607 60.687 1.00 0.00 WT2 H ATOM 27885 H2 TIP3 991 60.173 77.326 60.631 1.00 0.00 WT2 H ATOM 27886 OH2 TIP3 992 24.917 7.406 -5.439 1.00 0.00 WT2 O ATOM 27887 H1 TIP3 992 23.971 7.260 -5.433 1.00 0.00 WT2 H ATOM 27888 H2 TIP3 992 25.171 7.302 -6.356 1.00 0.00 WT2 H ATOM 27889 OH2 TIP3 995 53.556 92.814 60.475 1.00 0.00 WT2 O ATOM 27890 H1 TIP3 995 54.171 92.096 60.625 1.00 0.00 WT2 H ATOM 27891 H2 TIP3 995 53.941 93.313 59.755 1.00 0.00 WT2 H ATOM 27892 OH2 TIP3 1007 49.852 83.244 -3.002 1.00 0.00 WT2 O ATOM 27893 H1 TIP3 1007 50.649 82.717 -3.059 1.00 0.00 WT2 H ATOM 27894 H2 TIP3 1007 50.156 84.111 -2.735 1.00 0.00 WT2 H ATOM 27895 OH2 TIP3 1010 89.936 76.285 -17.230 1.00 0.00 WT2 O ATOM 27896 H1 TIP3 1010 90.231 76.671 -18.055 1.00 0.00 WT2 H ATOM 27897 H2 TIP3 1010 90.490 76.690 -16.564 1.00 0.00 WT2 H ATOM 27898 OH2 TIP3 1011 22.408 21.820 -3.108 1.00 0.00 WT2 O ATOM 27899 H1 TIP3 1011 23.158 22.322 -3.426 1.00 0.00 WT2 H ATOM 27900 H2 TIP3 1011 22.721 21.401 -2.307 1.00 0.00 WT2 H ATOM 27901 OH2 TIP3 1013 30.486 77.694 -6.708 1.00 0.00 WT2 O ATOM 27902 H1 TIP3 1013 29.743 78.184 -7.059 1.00 0.00 WT2 H ATOM 27903 H2 TIP3 1013 30.101 76.887 -6.367 1.00 0.00 WT2 H ATOM 27904 OH2 TIP3 1014 89.122 12.905 -0.021 1.00 0.00 WT2 O ATOM 27905 H1 TIP3 1014 88.850 12.031 -0.301 1.00 0.00 WT2 H ATOM 27906 H2 TIP3 1014 90.078 12.870 -0.021 1.00 0.00 WT2 H ATOM 27907 OH2 TIP3 1017 21.748 16.685 38.327 1.00 0.00 WT2 O ATOM 27908 H1 TIP3 1017 21.247 17.021 39.070 1.00 0.00 WT2 H ATOM 27909 H2 TIP3 1017 22.661 16.861 38.553 1.00 0.00 WT2 H ATOM 27910 OH2 TIP3 1018 28.384 32.278 64.892 1.00 0.00 WT2 O ATOM 27911 H1 TIP3 1018 27.836 31.753 65.475 1.00 0.00 WT2 H ATOM 27912 H2 TIP3 1018 27.773 32.650 64.257 1.00 0.00 WT2 H ATOM 27913 OH2 TIP3 1027 39.614 25.930 35.695 1.00 0.00 WT2 O ATOM 27914 H1 TIP3 1027 39.847 26.797 36.026 1.00 0.00 WT2 H ATOM 27915 H2 TIP3 1027 39.439 26.067 34.764 1.00 0.00 WT2 H ATOM 27916 OH2 TIP3 1032 55.405 7.323 -9.991 1.00 0.00 WT2 O ATOM 27917 H1 TIP3 1032 55.563 7.687 -10.862 1.00 0.00 WT2 H ATOM 27918 H2 TIP3 1032 55.842 6.471 -10.005 1.00 0.00 WT2 H ATOM 27919 OH2 TIP3 1033 29.052 40.530 26.908 1.00 0.00 WT2 O ATOM 27920 H1 TIP3 1033 29.481 40.290 26.087 1.00 0.00 WT2 H ATOM 27921 H2 TIP3 1033 29.610 40.155 27.589 1.00 0.00 WT2 H ATOM 27922 OH2 TIP3 1040 25.503 1.467 29.850 1.00 0.00 WT2 O ATOM 27923 H1 TIP3 1040 25.145 0.861 29.202 1.00 0.00 WT2 H ATOM 27924 H2 TIP3 1040 24.855 1.474 30.555 1.00 0.00 WT2 H ATOM 27925 OH2 TIP3 1051 38.416 25.875 7.861 1.00 0.00 WT2 O ATOM 27926 H1 TIP3 1051 37.468 25.853 7.735 1.00 0.00 WT2 H ATOM 27927 H2 TIP3 1051 38.592 26.751 8.205 1.00 0.00 WT2 H ATOM 27928 OH2 TIP3 1053 90.405 94.597 62.782 1.00 0.00 WT2 O ATOM 27929 H1 TIP3 1053 90.660 94.919 61.917 1.00 0.00 WT2 H ATOM 27930 H2 TIP3 1053 89.844 95.286 63.139 1.00 0.00 WT2 H ATOM 27931 OH2 TIP3 1054 36.779 25.069 10.482 1.00 0.00 WT2 O ATOM 27932 H1 TIP3 1054 36.064 24.497 10.759 1.00 0.00 WT2 H ATOM 27933 H2 TIP3 1054 36.617 25.894 10.938 1.00 0.00 WT2 H ATOM 27934 OH2 TIP3 1055 56.737 60.379 52.373 1.00 0.00 WT2 O ATOM 27935 H1 TIP3 1055 57.358 59.716 52.071 1.00 0.00 WT2 H ATOM 27936 H2 TIP3 1055 56.540 60.131 53.276 1.00 0.00 WT2 H ATOM 27937 OH2 TIP3 1058 57.456 89.054 21.816 1.00 0.00 WT2 O ATOM 27938 H1 TIP3 1058 58.344 88.934 21.481 1.00 0.00 WT2 H ATOM 27939 H2 TIP3 1058 56.896 88.631 21.164 1.00 0.00 WT2 H ATOM 27940 OH2 TIP3 1059 37.431 83.826 51.715 1.00 0.00 WT2 O ATOM 27941 H1 TIP3 1059 38.290 84.057 52.068 1.00 0.00 WT2 H ATOM 27942 H2 TIP3 1059 36.808 84.275 52.286 1.00 0.00 WT2 H ATOM 27943 OH2 TIP3 1072 81.723 36.256 29.326 1.00 0.00 WT2 O ATOM 27944 H1 TIP3 1072 81.116 36.992 29.405 1.00 0.00 WT2 H ATOM 27945 H2 TIP3 1072 81.951 36.231 28.397 1.00 0.00 WT2 H ATOM 27946 OH2 TIP3 1075 71.044 63.804 65.499 1.00 0.00 WT2 O ATOM 27947 H1 TIP3 1075 70.863 63.138 64.837 1.00 0.00 WT2 H ATOM 27948 H2 TIP3 1075 71.996 63.797 65.593 1.00 0.00 WT2 H ATOM 27949 OH2 TIP3 1076 69.364 61.625 38.491 1.00 0.00 WT2 O ATOM 27950 H1 TIP3 1076 68.842 61.074 37.907 1.00 0.00 WT2 H ATOM 27951 H2 TIP3 1076 70.247 61.597 38.123 1.00 0.00 WT2 H ATOM 27952 OH2 TIP3 1077 28.393 28.123 -0.638 1.00 0.00 WT2 O ATOM 27953 H1 TIP3 1077 27.633 27.591 -0.403 1.00 0.00 WT2 H ATOM 27954 H2 TIP3 1077 28.105 29.026 -0.500 1.00 0.00 WT2 H ATOM 27955 OH2 TIP3 1092 68.392 1.458 34.019 1.00 0.00 WT2 O ATOM 27956 H1 TIP3 1092 67.985 0.818 33.434 1.00 0.00 WT2 H ATOM 27957 H2 TIP3 1092 68.196 2.306 33.621 1.00 0.00 WT2 H ATOM 27958 OH2 TIP3 1094 56.661 23.614 51.712 1.00 0.00 WT2 O ATOM 27959 H1 TIP3 1094 57.241 24.144 52.259 1.00 0.00 WT2 H ATOM 27960 H2 TIP3 1094 56.018 24.236 51.373 1.00 0.00 WT2 H ATOM 27961 OH2 TIP3 1096 64.564 57.660 40.554 1.00 0.00 WT2 O ATOM 27962 H1 TIP3 1096 64.586 58.250 41.307 1.00 0.00 WT2 H ATOM 27963 H2 TIP3 1096 63.677 57.301 40.557 1.00 0.00 WT2 H ATOM 27964 OH2 TIP3 1101 29.278 40.006 58.920 1.00 0.00 WT2 O ATOM 27965 H1 TIP3 1101 29.911 39.306 58.762 1.00 0.00 WT2 H ATOM 27966 H2 TIP3 1101 29.748 40.636 59.467 1.00 0.00 WT2 H ATOM 27967 OH2 TIP3 1112 55.397 48.266 -18.306 1.00 0.00 WT2 O ATOM 27968 H1 TIP3 1112 56.238 47.841 -18.479 1.00 0.00 WT2 H ATOM 27969 H2 TIP3 1112 55.579 48.875 -17.590 1.00 0.00 WT2 H ATOM 27970 OH2 TIP3 1113 30.989 93.483 58.795 1.00 0.00 WT2 O ATOM 27971 H1 TIP3 1113 30.356 93.196 59.454 1.00 0.00 WT2 H ATOM 27972 H2 TIP3 1113 30.931 94.438 58.806 1.00 0.00 WT2 H ATOM 27973 OH2 TIP3 1115 76.880 16.264 48.458 1.00 0.00 WT2 O ATOM 27974 H1 TIP3 1115 77.372 16.811 47.845 1.00 0.00 WT2 H ATOM 27975 H2 TIP3 1115 76.113 15.978 47.963 1.00 0.00 WT2 H ATOM 27976 OH2 TIP3 1117 47.716 8.310 56.563 1.00 0.00 WT2 O ATOM 27977 H1 TIP3 1117 47.467 8.541 57.458 1.00 0.00 WT2 H ATOM 27978 H2 TIP3 1117 47.056 7.675 56.286 1.00 0.00 WT2 H ATOM 27979 OH2 TIP3 1119 40.268 10.559 0.260 1.00 0.00 WT2 O ATOM 27980 H1 TIP3 1119 40.587 10.413 -0.630 1.00 0.00 WT2 H ATOM 27981 H2 TIP3 1119 41.004 10.317 0.822 1.00 0.00 WT2 H ATOM 27982 OH2 TIP3 1122 56.595 33.965 42.564 1.00 0.00 WT2 O ATOM 27983 H1 TIP3 1122 56.853 34.873 42.722 1.00 0.00 WT2 H ATOM 27984 H2 TIP3 1122 56.040 34.005 41.786 1.00 0.00 WT2 H ATOM 27985 OH2 TIP3 1134 79.366 74.239 63.765 1.00 0.00 WT2 O ATOM 27986 H1 TIP3 1134 80.184 74.518 64.177 1.00 0.00 WT2 H ATOM 27987 H2 TIP3 1134 79.468 73.295 63.645 1.00 0.00 WT2 H ATOM 27988 OH2 TIP3 1135 34.181 63.541 1.134 1.00 0.00 WT2 O ATOM 27989 H1 TIP3 1135 33.994 64.433 0.841 1.00 0.00 WT2 H ATOM 27990 H2 TIP3 1135 34.912 63.637 1.745 1.00 0.00 WT2 H ATOM 27991 OH2 TIP3 1137 57.378 42.787 57.808 1.00 0.00 WT2 O ATOM 27992 H1 TIP3 1137 57.353 43.721 58.016 1.00 0.00 WT2 H ATOM 27993 H2 TIP3 1137 57.909 42.401 58.504 1.00 0.00 WT2 H ATOM 27994 OH2 TIP3 1139 24.861 0.860 -6.833 1.00 0.00 WT2 O ATOM 27995 H1 TIP3 1139 24.681 0.006 -7.226 1.00 0.00 WT2 H ATOM 27996 H2 TIP3 1139 24.108 1.399 -7.075 1.00 0.00 WT2 H ATOM 27997 OH2 TIP3 1140 83.611 45.674 45.147 1.00 0.00 WT2 O ATOM 27998 H1 TIP3 1140 83.976 45.103 44.470 1.00 0.00 WT2 H ATOM 27999 H2 TIP3 1140 84.347 46.219 45.423 1.00 0.00 WT2 H ATOM 28000 OH2 TIP3 1155 68.105 58.604 -12.969 1.00 0.00 WT2 O ATOM 28001 H1 TIP3 1155 68.250 59.299 -13.611 1.00 0.00 WT2 H ATOM 28002 H2 TIP3 1155 67.770 57.869 -13.483 1.00 0.00 WT2 H ATOM 28003 OH2 TIP3 1157 33.852 44.934 62.328 1.00 0.00 WT2 O ATOM 28004 H1 TIP3 1157 33.619 45.802 62.658 1.00 0.00 WT2 H ATOM 28005 H2 TIP3 1157 33.470 44.327 62.962 1.00 0.00 WT2 H ATOM 28006 OH2 TIP3 1158 44.474 45.970 31.838 1.00 0.00 WT2 O ATOM 28007 H1 TIP3 1158 44.824 45.464 31.105 1.00 0.00 WT2 H ATOM 28008 H2 TIP3 1158 44.668 46.880 31.615 1.00 0.00 WT2 H ATOM 28009 OH2 TIP3 1159 43.216 48.953 52.372 1.00 0.00 WT2 O ATOM 28010 H1 TIP3 1159 43.715 48.793 51.571 1.00 0.00 WT2 H ATOM 28011 H2 TIP3 1159 43.845 48.810 53.079 1.00 0.00 WT2 H ATOM 28012 OH2 TIP3 1160 79.955 8.184 6.692 1.00 0.00 WT2 O ATOM 28013 H1 TIP3 1160 80.528 7.611 7.201 1.00 0.00 WT2 H ATOM 28014 H2 TIP3 1160 80.202 9.069 6.959 1.00 0.00 WT2 H ATOM 28015 OH2 TIP3 1162 64.912 39.357 -3.226 1.00 0.00 WT2 O ATOM 28016 H1 TIP3 1162 64.102 39.717 -2.866 1.00 0.00 WT2 H ATOM 28017 H2 TIP3 1162 64.803 39.420 -4.175 1.00 0.00 WT2 H ATOM 28018 OH2 TIP3 1163 85.713 46.817 46.334 1.00 0.00 WT2 O ATOM 28019 H1 TIP3 1163 86.025 46.294 47.073 1.00 0.00 WT2 H ATOM 28020 H2 TIP3 1163 86.109 47.678 46.466 1.00 0.00 WT2 H ATOM 28021 OH2 TIP3 1177 82.603 39.466 -19.299 1.00 0.00 WT2 O ATOM 28022 H1 TIP3 1177 82.785 40.148 -18.652 1.00 0.00 WT2 H ATOM 28023 H2 TIP3 1177 81.864 38.980 -18.934 1.00 0.00 WT2 H ATOM 28024 OH2 TIP3 1178 45.548 12.289 65.333 1.00 0.00 WT2 O ATOM 28025 H1 TIP3 1178 45.231 11.555 64.806 1.00 0.00 WT2 H ATOM 28026 H2 TIP3 1178 45.038 13.040 65.030 1.00 0.00 WT2 H ATOM 28027 OH2 TIP3 1179 37.217 17.944 62.253 1.00 0.00 WT2 O ATOM 28028 H1 TIP3 1179 36.733 17.151 62.482 1.00 0.00 WT2 H ATOM 28029 H2 TIP3 1179 36.907 18.169 61.376 1.00 0.00 WT2 H ATOM 28030 OH2 TIP3 1180 87.140 20.060 63.961 1.00 0.00 WT2 O ATOM 28031 H1 TIP3 1180 87.460 20.471 63.159 1.00 0.00 WT2 H ATOM 28032 H2 TIP3 1180 86.709 19.258 63.665 1.00 0.00 WT2 H ATOM 28033 OH2 TIP3 1181 29.807 38.352 62.669 1.00 0.00 WT2 O ATOM 28034 H1 TIP3 1181 30.495 38.757 62.140 1.00 0.00 WT2 H ATOM 28035 H2 TIP3 1181 29.484 39.061 63.225 1.00 0.00 WT2 H ATOM 28036 OH2 TIP3 1183 33.958 69.194 23.543 1.00 0.00 WT2 O ATOM 28037 H1 TIP3 1183 34.755 68.724 23.298 1.00 0.00 WT2 H ATOM 28038 H2 TIP3 1183 33.916 69.115 24.496 1.00 0.00 WT2 H ATOM 28039 OH2 TIP3 1185 36.401 84.902 66.952 1.00 0.00 WT2 O ATOM 28040 H1 TIP3 1185 37.027 84.179 66.999 1.00 0.00 WT2 H ATOM 28041 H2 TIP3 1185 36.194 84.979 66.021 1.00 0.00 WT2 H ATOM 28042 OH2 TIP3 1197 68.324 14.138 60.600 1.00 0.00 WT2 O ATOM 28043 H1 TIP3 1197 67.929 13.600 59.914 1.00 0.00 WT2 H ATOM 28044 H2 TIP3 1197 68.576 13.513 61.280 1.00 0.00 WT2 H ATOM 28045 OH2 TIP3 1200 87.448 60.249 -15.792 1.00 0.00 WT2 O ATOM 28046 H1 TIP3 1200 86.765 60.851 -15.495 1.00 0.00 WT2 H ATOM 28047 H2 TIP3 1200 87.050 59.382 -15.725 1.00 0.00 WT2 H ATOM 28048 OH2 TIP3 1201 77.870 51.602 27.891 1.00 0.00 WT2 O ATOM 28049 H1 TIP3 1201 77.219 52.013 27.322 1.00 0.00 WT2 H ATOM 28050 H2 TIP3 1201 77.371 50.974 28.413 1.00 0.00 WT2 H ATOM 28051 OH2 TIP3 1202 85.356 14.164 -18.097 1.00 0.00 WT2 O ATOM 28052 H1 TIP3 1202 84.483 14.521 -17.938 1.00 0.00 WT2 H ATOM 28053 H2 TIP3 1202 85.954 14.837 -17.772 1.00 0.00 WT2 H ATOM 28054 OH2 TIP3 1203 44.380 35.232 -3.949 1.00 0.00 WT2 O ATOM 28055 H1 TIP3 1203 43.525 34.804 -3.906 1.00 0.00 WT2 H ATOM 28056 H2 TIP3 1203 44.674 35.273 -3.039 1.00 0.00 WT2 H ATOM 28057 OH2 TIP3 1205 71.176 32.380 -3.358 1.00 0.00 WT2 O ATOM 28058 H1 TIP3 1205 71.054 33.217 -3.807 1.00 0.00 WT2 H ATOM 28059 H2 TIP3 1205 70.518 31.803 -3.746 1.00 0.00 WT2 H ATOM 28060 OH2 TIP3 1208 65.427 73.782 -15.946 1.00 0.00 WT2 O ATOM 28061 H1 TIP3 1208 65.149 73.393 -16.775 1.00 0.00 WT2 H ATOM 28062 H2 TIP3 1208 66.186 74.318 -16.175 1.00 0.00 WT2 H ATOM 28063 OH2 TIP3 1219 55.619 7.921 -19.221 1.00 0.00 WT2 O ATOM 28064 H1 TIP3 1219 56.459 7.807 -18.776 1.00 0.00 WT2 H ATOM 28065 H2 TIP3 1219 55.791 8.584 -19.890 1.00 0.00 WT2 H ATOM 28066 OH2 TIP3 1220 36.549 52.780 29.127 1.00 0.00 WT2 O ATOM 28067 H1 TIP3 1220 37.375 52.844 28.649 1.00 0.00 WT2 H ATOM 28068 H2 TIP3 1220 36.010 53.487 28.770 1.00 0.00 WT2 H ATOM 28069 OH2 TIP3 1222 34.319 55.391 25.308 1.00 0.00 WT2 O ATOM 28070 H1 TIP3 1222 34.086 54.752 24.634 1.00 0.00 WT2 H ATOM 28071 H2 TIP3 1222 35.151 55.759 25.011 1.00 0.00 WT2 H ATOM 28072 OH2 TIP3 1223 57.394 18.068 -15.384 1.00 0.00 WT2 O ATOM 28073 H1 TIP3 1223 57.390 17.252 -14.883 1.00 0.00 WT2 H ATOM 28074 H2 TIP3 1223 57.986 18.644 -14.900 1.00 0.00 WT2 H ATOM 28075 OH2 TIP3 1224 67.322 12.882 21.858 1.00 0.00 WT2 O ATOM 28076 H1 TIP3 1224 67.343 13.789 21.553 1.00 0.00 WT2 H ATOM 28077 H2 TIP3 1224 67.377 12.948 22.811 1.00 0.00 WT2 H ATOM 28078 OH2 TIP3 1225 23.424 71.280 61.096 1.00 0.00 WT2 O ATOM 28079 H1 TIP3 1225 24.122 71.673 61.620 1.00 0.00 WT2 H ATOM 28080 H2 TIP3 1225 23.060 72.009 60.594 1.00 0.00 WT2 H ATOM 28081 OH2 TIP3 1226 54.246 6.406 15.538 1.00 0.00 WT2 O ATOM 28082 H1 TIP3 1226 54.302 7.345 15.711 1.00 0.00 WT2 H ATOM 28083 H2 TIP3 1226 53.688 6.066 16.238 1.00 0.00 WT2 H ATOM 28084 OH2 TIP3 1227 70.980 25.441 60.708 1.00 0.00 WT2 O ATOM 28085 H1 TIP3 1227 71.248 24.745 60.109 1.00 0.00 WT2 H ATOM 28086 H2 TIP3 1227 70.143 25.142 61.064 1.00 0.00 WT2 H ATOM 28087 OH2 TIP3 1240 49.087 29.930 17.138 1.00 0.00 WT2 O ATOM 28088 H1 TIP3 1240 48.653 30.565 16.568 1.00 0.00 WT2 H ATOM 28089 H2 TIP3 1240 48.443 29.738 17.819 1.00 0.00 WT2 H ATOM 28090 OH2 TIP3 1241 42.074 0.474 48.928 1.00 0.00 WT2 O ATOM 28091 H1 TIP3 1241 41.187 0.224 49.184 1.00 0.00 WT2 H ATOM 28092 H2 TIP3 1241 42.361 -0.224 48.340 1.00 0.00 WT2 H ATOM 28093 OH2 TIP3 1242 76.927 44.064 -5.448 1.00 0.00 WT2 O ATOM 28094 H1 TIP3 1242 76.050 44.440 -5.530 1.00 0.00 WT2 H ATOM 28095 H2 TIP3 1242 77.371 44.627 -4.813 1.00 0.00 WT2 H ATOM 28096 OH2 TIP3 1243 39.184 33.703 9.245 1.00 0.00 WT2 O ATOM 28097 H1 TIP3 1243 39.297 34.056 10.128 1.00 0.00 WT2 H ATOM 28098 H2 TIP3 1243 40.005 33.906 8.798 1.00 0.00 WT2 H ATOM 28099 OH2 TIP3 1244 85.005 26.605 -0.644 1.00 0.00 WT2 O ATOM 28100 H1 TIP3 1244 85.133 26.953 0.238 1.00 0.00 WT2 H ATOM 28101 H2 TIP3 1244 84.196 27.015 -0.949 1.00 0.00 WT2 H ATOM 28102 OH2 TIP3 1247 85.585 25.696 12.212 1.00 0.00 WT2 O ATOM 28103 H1 TIP3 1247 85.745 25.890 11.289 1.00 0.00 WT2 H ATOM 28104 H2 TIP3 1247 84.645 25.840 12.328 1.00 0.00 WT2 H ATOM 28105 OH2 TIP3 1258 68.387 54.336 60.764 1.00 0.00 WT2 O ATOM 28106 H1 TIP3 1258 67.558 53.865 60.852 1.00 0.00 WT2 H ATOM 28107 H2 TIP3 1258 68.447 54.543 59.831 1.00 0.00 WT2 H ATOM 28108 OH2 TIP3 1263 80.538 71.236 62.634 1.00 0.00 WT2 O ATOM 28109 H1 TIP3 1263 81.479 71.293 62.802 1.00 0.00 WT2 H ATOM 28110 H2 TIP3 1263 80.193 70.738 63.375 1.00 0.00 WT2 H ATOM 28111 OH2 TIP3 1265 88.930 60.581 5.040 1.00 0.00 WT2 O ATOM 28112 H1 TIP3 1265 89.128 60.021 4.290 1.00 0.00 WT2 H ATOM 28113 H2 TIP3 1265 89.597 60.357 5.690 1.00 0.00 WT2 H ATOM 28114 OH2 TIP3 1266 47.270 45.067 8.379 1.00 0.00 WT2 O ATOM 28115 H1 TIP3 1266 47.752 44.409 8.880 1.00 0.00 WT2 H ATOM 28116 H2 TIP3 1266 47.221 45.824 8.963 1.00 0.00 WT2 H ATOM 28117 OH2 TIP3 1267 76.399 34.636 21.818 1.00 0.00 WT2 O ATOM 28118 H1 TIP3 1267 76.887 33.833 21.631 1.00 0.00 WT2 H ATOM 28119 H2 TIP3 1267 75.772 34.708 21.098 1.00 0.00 WT2 H ATOM 28120 OH2 TIP3 1268 68.009 28.671 58.727 1.00 0.00 WT2 O ATOM 28121 H1 TIP3 1268 67.340 29.151 59.216 1.00 0.00 WT2 H ATOM 28122 H2 TIP3 1268 68.108 27.846 59.203 1.00 0.00 WT2 H ATOM 28123 OH2 TIP3 1271 35.606 33.131 30.077 1.00 0.00 WT2 O ATOM 28124 H1 TIP3 1271 36.392 33.649 29.902 1.00 0.00 WT2 H ATOM 28125 H2 TIP3 1271 35.363 33.360 30.974 1.00 0.00 WT2 H ATOM 28126 OH2 TIP3 1281 77.560 90.344 47.098 1.00 0.00 WT2 O ATOM 28127 H1 TIP3 1281 78.019 89.803 46.455 1.00 0.00 WT2 H ATOM 28128 H2 TIP3 1281 76.687 90.469 46.726 1.00 0.00 WT2 H ATOM 28129 OH2 TIP3 1283 48.707 50.488 41.931 1.00 0.00 WT2 O ATOM 28130 H1 TIP3 1283 48.643 49.549 41.754 1.00 0.00 WT2 H ATOM 28131 H2 TIP3 1283 47.798 50.783 41.989 1.00 0.00 WT2 H ATOM 28132 OH2 TIP3 1284 83.373 76.203 -10.407 1.00 0.00 WT2 O ATOM 28133 H1 TIP3 1284 83.024 76.106 -9.521 1.00 0.00 WT2 H ATOM 28134 H2 TIP3 1284 84.256 75.838 -10.359 1.00 0.00 WT2 H ATOM 28135 OH2 TIP3 1285 50.602 61.049 66.592 1.00 0.00 WT2 O ATOM 28136 H1 TIP3 1285 50.837 61.796 66.042 1.00 0.00 WT2 H ATOM 28137 H2 TIP3 1285 50.362 60.360 65.972 1.00 0.00 WT2 H ATOM 28138 OH2 TIP3 1286 47.724 7.138 2.407 1.00 0.00 WT2 O ATOM 28139 H1 TIP3 1286 47.526 6.459 1.762 1.00 0.00 WT2 H ATOM 28140 H2 TIP3 1286 47.121 6.965 3.130 1.00 0.00 WT2 H ATOM 28141 OH2 TIP3 1301 84.116 25.553 40.804 1.00 0.00 WT2 O ATOM 28142 H1 TIP3 1301 84.889 26.061 41.053 1.00 0.00 WT2 H ATOM 28143 H2 TIP3 1301 84.047 25.671 39.857 1.00 0.00 WT2 H ATOM 28144 OH2 TIP3 1303 74.236 91.983 -15.215 1.00 0.00 WT2 O ATOM 28145 H1 TIP3 1303 75.092 92.120 -15.621 1.00 0.00 WT2 H ATOM 28146 H2 TIP3 1303 74.164 91.033 -15.122 1.00 0.00 WT2 H ATOM 28147 OH2 TIP3 1304 78.670 8.995 44.165 1.00 0.00 WT2 O ATOM 28148 H1 TIP3 1304 79.447 9.517 43.967 1.00 0.00 WT2 H ATOM 28149 H2 TIP3 1304 78.472 9.195 45.080 1.00 0.00 WT2 H ATOM 28150 OH2 TIP3 1305 23.284 4.525 31.351 1.00 0.00 WT2 O ATOM 28151 H1 TIP3 1305 23.447 5.209 30.702 1.00 0.00 WT2 H ATOM 28152 H2 TIP3 1305 23.096 3.742 30.833 1.00 0.00 WT2 H ATOM 28153 OH2 TIP3 1306 66.423 31.546 49.144 1.00 0.00 WT2 O ATOM 28154 H1 TIP3 1306 66.222 32.462 49.331 1.00 0.00 WT2 H ATOM 28155 H2 TIP3 1306 65.723 31.261 48.556 1.00 0.00 WT2 H ATOM 28156 OH2 TIP3 1307 53.436 85.111 -4.247 1.00 0.00 WT2 O ATOM 28157 H1 TIP3 1307 52.856 85.130 -5.008 1.00 0.00 WT2 H ATOM 28158 H2 TIP3 1307 52.848 85.007 -3.499 1.00 0.00 WT2 H ATOM 28159 OH2 TIP3 1308 62.657 56.333 21.319 1.00 0.00 WT2 O ATOM 28160 H1 TIP3 1308 62.104 57.060 21.033 1.00 0.00 WT2 H ATOM 28161 H2 TIP3 1308 62.278 55.562 20.898 1.00 0.00 WT2 H ATOM 28162 OH2 TIP3 1322 31.157 41.340 49.629 1.00 0.00 WT2 O ATOM 28163 H1 TIP3 1322 30.377 40.787 49.675 1.00 0.00 WT2 H ATOM 28164 H2 TIP3 1322 31.689 40.947 48.937 1.00 0.00 WT2 H ATOM 28165 OH2 TIP3 1324 42.238 56.437 45.331 1.00 0.00 WT2 O ATOM 28166 H1 TIP3 1324 42.587 56.463 44.440 1.00 0.00 WT2 H ATOM 28167 H2 TIP3 1324 42.895 55.954 45.832 1.00 0.00 WT2 H ATOM 28168 OH2 TIP3 1326 89.979 19.380 52.448 1.00 0.00 WT2 O ATOM 28169 H1 TIP3 1326 90.751 18.894 52.157 1.00 0.00 WT2 H ATOM 28170 H2 TIP3 1326 90.129 19.532 53.381 1.00 0.00 WT2 H ATOM 28171 OH2 TIP3 1327 87.780 25.851 52.387 1.00 0.00 WT2 O ATOM 28172 H1 TIP3 1327 88.637 26.224 52.179 1.00 0.00 WT2 H ATOM 28173 H2 TIP3 1327 87.677 25.128 51.768 1.00 0.00 WT2 H ATOM 28174 OH2 TIP3 1328 53.160 13.294 28.091 1.00 0.00 WT2 O ATOM 28175 H1 TIP3 1328 52.828 14.160 28.329 1.00 0.00 WT2 H ATOM 28176 H2 TIP3 1328 53.370 13.365 27.160 1.00 0.00 WT2 H ATOM 28177 OH2 TIP3 1329 54.353 1.884 38.110 1.00 0.00 WT2 O ATOM 28178 H1 TIP3 1329 55.209 1.868 38.538 1.00 0.00 WT2 H ATOM 28179 H2 TIP3 1329 54.387 1.167 37.478 1.00 0.00 WT2 H ATOM 28180 OH2 TIP3 1330 83.818 43.340 63.916 1.00 0.00 WT2 O ATOM 28181 H1 TIP3 1330 83.454 43.147 64.780 1.00 0.00 WT2 H ATOM 28182 H2 TIP3 1330 83.141 43.859 63.481 1.00 0.00 WT2 H ATOM 28183 OH2 TIP3 1333 21.804 39.494 35.866 1.00 0.00 WT2 O ATOM 28184 H1 TIP3 1333 22.559 39.697 35.314 1.00 0.00 WT2 H ATOM 28185 H2 TIP3 1333 21.550 38.607 35.610 1.00 0.00 WT2 H ATOM 28186 OH2 TIP3 1344 54.536 69.886 -16.918 1.00 0.00 WT2 O ATOM 28187 H1 TIP3 1344 54.625 70.817 -17.123 1.00 0.00 WT2 H ATOM 28188 H2 TIP3 1344 53.596 69.716 -16.977 1.00 0.00 WT2 H ATOM 28189 OH2 TIP3 1345 28.897 63.630 47.697 1.00 0.00 WT2 O ATOM 28190 H1 TIP3 1345 28.361 63.209 48.369 1.00 0.00 WT2 H ATOM 28191 H2 TIP3 1345 29.053 62.942 47.049 1.00 0.00 WT2 H ATOM 28192 OH2 TIP3 1346 44.578 5.354 44.726 1.00 0.00 WT2 O ATOM 28193 H1 TIP3 1346 45.407 5.828 44.796 1.00 0.00 WT2 H ATOM 28194 H2 TIP3 1346 44.834 4.449 44.548 1.00 0.00 WT2 H ATOM 28195 OH2 TIP3 1347 24.861 12.955 37.055 1.00 0.00 WT2 O ATOM 28196 H1 TIP3 1347 25.350 13.068 37.871 1.00 0.00 WT2 H ATOM 28197 H2 TIP3 1347 24.988 13.778 36.584 1.00 0.00 WT2 H ATOM 28198 OH2 TIP3 1349 34.056 36.936 62.997 1.00 0.00 WT2 O ATOM 28199 H1 TIP3 1349 34.560 37.483 62.394 1.00 0.00 WT2 H ATOM 28200 H2 TIP3 1349 34.704 36.350 63.388 1.00 0.00 WT2 H ATOM 28201 OH2 TIP3 1350 80.685 15.888 44.227 1.00 0.00 WT2 O ATOM 28202 H1 TIP3 1350 80.637 16.691 44.746 1.00 0.00 WT2 H ATOM 28203 H2 TIP3 1350 81.172 16.139 43.442 1.00 0.00 WT2 H ATOM 28204 OH2 TIP3 1351 86.514 10.703 -13.220 1.00 0.00 WT2 O ATOM 28205 H1 TIP3 1351 86.371 10.660 -12.275 1.00 0.00 WT2 H ATOM 28206 H2 TIP3 1351 86.445 11.634 -13.432 1.00 0.00 WT2 H ATOM 28207 OH2 TIP3 1352 65.064 83.269 -4.287 1.00 0.00 WT2 O ATOM 28208 H1 TIP3 1352 64.484 83.295 -5.048 1.00 0.00 WT2 H ATOM 28209 H2 TIP3 1352 64.974 84.133 -3.886 1.00 0.00 WT2 H ATOM 28210 OH2 TIP3 1353 74.366 60.717 -15.062 1.00 0.00 WT2 O ATOM 28211 H1 TIP3 1353 74.902 61.382 -14.632 1.00 0.00 WT2 H ATOM 28212 H2 TIP3 1353 73.571 61.181 -15.324 1.00 0.00 WT2 H ATOM 28213 OH2 TIP3 1354 23.604 28.617 -12.365 1.00 0.00 WT2 O ATOM 28214 H1 TIP3 1354 23.722 28.223 -13.229 1.00 0.00 WT2 H ATOM 28215 H2 TIP3 1354 22.661 28.767 -12.296 1.00 0.00 WT2 H ATOM 28216 OH2 TIP3 1367 76.088 10.553 39.802 1.00 0.00 WT2 O ATOM 28217 H1 TIP3 1367 75.289 10.861 40.229 1.00 0.00 WT2 H ATOM 28218 H2 TIP3 1367 75.787 9.901 39.169 1.00 0.00 WT2 H ATOM 28219 OH2 TIP3 1368 43.833 79.990 19.137 1.00 0.00 WT2 O ATOM 28220 H1 TIP3 1368 44.475 79.617 19.742 1.00 0.00 WT2 H ATOM 28221 H2 TIP3 1368 43.014 79.544 19.352 1.00 0.00 WT2 H ATOM 28222 OH2 TIP3 1370 83.079 67.292 35.832 1.00 0.00 WT2 O ATOM 28223 H1 TIP3 1370 83.290 67.983 36.460 1.00 0.00 WT2 H ATOM 28224 H2 TIP3 1370 82.932 66.515 36.371 1.00 0.00 WT2 H ATOM 28225 OH2 TIP3 1371 60.521 51.440 -14.815 1.00 0.00 WT2 O ATOM 28226 H1 TIP3 1371 61.151 50.724 -14.730 1.00 0.00 WT2 H ATOM 28227 H2 TIP3 1371 61.008 52.221 -14.553 1.00 0.00 WT2 H ATOM 28228 OH2 TIP3 1373 60.514 33.665 31.950 1.00 0.00 WT2 O ATOM 28229 H1 TIP3 1373 61.023 34.375 31.559 1.00 0.00 WT2 H ATOM 28230 H2 TIP3 1373 59.912 33.392 31.258 1.00 0.00 WT2 H ATOM 28231 OH2 TIP3 1374 89.213 80.183 48.854 1.00 0.00 WT2 O ATOM 28232 H1 TIP3 1374 89.991 80.692 49.083 1.00 0.00 WT2 H ATOM 28233 H2 TIP3 1374 88.822 80.659 48.121 1.00 0.00 WT2 H ATOM 28234 OH2 TIP3 1375 79.315 28.939 40.021 1.00 0.00 WT2 O ATOM 28235 H1 TIP3 1375 78.751 28.825 39.257 1.00 0.00 WT2 H ATOM 28236 H2 TIP3 1375 80.093 28.417 39.825 1.00 0.00 WT2 H ATOM 28237 OH2 TIP3 1386 79.995 29.390 -1.138 1.00 0.00 WT2 O ATOM 28238 H1 TIP3 1386 79.651 29.036 -0.318 1.00 0.00 WT2 H ATOM 28239 H2 TIP3 1386 80.336 30.253 -0.902 1.00 0.00 WT2 H ATOM 28240 OH2 TIP3 1387 25.013 73.205 57.327 1.00 0.00 WT2 O ATOM 28241 H1 TIP3 1387 24.611 72.489 57.819 1.00 0.00 WT2 H ATOM 28242 H2 TIP3 1387 25.782 72.811 56.914 1.00 0.00 WT2 H ATOM 28243 OH2 TIP3 1388 68.732 38.600 -16.582 1.00 0.00 WT2 O ATOM 28244 H1 TIP3 1388 69.621 38.674 -16.236 1.00 0.00 WT2 H ATOM 28245 H2 TIP3 1388 68.550 37.660 -16.576 1.00 0.00 WT2 H ATOM 28246 OH2 TIP3 1389 55.158 17.297 20.388 1.00 0.00 WT2 O ATOM 28247 H1 TIP3 1389 54.453 17.826 20.012 1.00 0.00 WT2 H ATOM 28248 H2 TIP3 1389 55.620 17.896 20.974 1.00 0.00 WT2 H ATOM 28249 OH2 TIP3 1392 34.463 0.352 4.648 1.00 0.00 WT2 O ATOM 28250 H1 TIP3 1392 34.084 1.193 4.902 1.00 0.00 WT2 H ATOM 28251 H2 TIP3 1392 33.726 -0.146 4.294 1.00 0.00 WT2 H ATOM 28252 OH2 TIP3 1393 21.108 81.819 48.282 1.00 0.00 WT2 O ATOM 28253 H1 TIP3 1393 20.691 82.671 48.409 1.00 0.00 WT2 H ATOM 28254 H2 TIP3 1393 22.046 82.009 48.273 1.00 0.00 WT2 H ATOM 28255 OH2 TIP3 1407 21.968 28.214 63.181 1.00 0.00 WT2 O ATOM 28256 H1 TIP3 1407 21.519 27.813 62.436 1.00 0.00 WT2 H ATOM 28257 H2 TIP3 1407 21.278 28.353 63.830 1.00 0.00 WT2 H ATOM 28258 OH2 TIP3 1408 24.013 40.939 34.524 1.00 0.00 WT2 O ATOM 28259 H1 TIP3 1408 24.294 41.786 34.178 1.00 0.00 WT2 H ATOM 28260 H2 TIP3 1408 23.735 40.445 33.753 1.00 0.00 WT2 H ATOM 28261 OH2 TIP3 1411 20.802 30.785 -17.286 1.00 0.00 WT2 O ATOM 28262 H1 TIP3 1411 20.886 29.832 -17.247 1.00 0.00 WT2 H ATOM 28263 H2 TIP3 1411 20.205 30.944 -18.018 1.00 0.00 WT2 H ATOM 28264 OH2 TIP3 1412 32.317 6.662 22.703 1.00 0.00 WT2 O ATOM 28265 H1 TIP3 1412 33.262 6.802 22.763 1.00 0.00 WT2 H ATOM 28266 H2 TIP3 1412 32.049 6.450 23.597 1.00 0.00 WT2 H ATOM 28267 OH2 TIP3 1413 49.056 9.470 44.621 1.00 0.00 WT2 O ATOM 28268 H1 TIP3 1413 49.301 9.205 45.508 1.00 0.00 WT2 H ATOM 28269 H2 TIP3 1413 48.799 8.655 44.190 1.00 0.00 WT2 H ATOM 28270 OH2 TIP3 1414 81.440 86.619 58.335 1.00 0.00 WT2 O ATOM 28271 H1 TIP3 1414 80.938 86.582 57.520 1.00 0.00 WT2 H ATOM 28272 H2 TIP3 1414 80.826 86.970 58.979 1.00 0.00 WT2 H ATOM 28273 OH2 TIP3 1415 46.052 63.637 0.423 1.00 0.00 WT2 O ATOM 28274 H1 TIP3 1415 46.886 63.274 0.123 1.00 0.00 WT2 H ATOM 28275 H2 TIP3 1415 45.989 63.369 1.339 1.00 0.00 WT2 H ATOM 28276 OH2 TIP3 1418 33.992 40.538 65.243 1.00 0.00 WT2 O ATOM 28277 H1 TIP3 1418 33.434 39.762 65.178 1.00 0.00 WT2 H ATOM 28278 H2 TIP3 1418 34.331 40.515 66.138 1.00 0.00 WT2 H ATOM 28279 OH2 TIP3 1425 33.968 83.285 33.633 1.00 0.00 WT2 O ATOM 28280 H1 TIP3 1425 33.157 83.179 34.131 1.00 0.00 WT2 H ATOM 28281 H2 TIP3 1425 34.452 82.474 33.786 1.00 0.00 WT2 H ATOM 28282 OH2 TIP3 1427 57.175 9.202 47.884 1.00 0.00 WT2 O ATOM 28283 H1 TIP3 1427 57.909 8.647 48.146 1.00 0.00 WT2 H ATOM 28284 H2 TIP3 1427 57.482 9.651 47.097 1.00 0.00 WT2 H ATOM 28285 OH2 TIP3 1428 56.918 68.924 -16.864 1.00 0.00 WT2 O ATOM 28286 H1 TIP3 1428 55.999 69.191 -16.857 1.00 0.00 WT2 H ATOM 28287 H2 TIP3 1428 56.897 67.986 -16.676 1.00 0.00 WT2 H ATOM 28288 OH2 TIP3 1429 82.284 71.665 20.473 1.00 0.00 WT2 O ATOM 28289 H1 TIP3 1429 82.211 71.294 21.352 1.00 0.00 WT2 H ATOM 28290 H2 TIP3 1429 81.509 71.343 20.012 1.00 0.00 WT2 H ATOM 28291 OH2 TIP3 1430 68.314 6.894 45.315 1.00 0.00 WT2 O ATOM 28292 H1 TIP3 1430 69.194 6.911 44.939 1.00 0.00 WT2 H ATOM 28293 H2 TIP3 1430 68.383 6.295 46.059 1.00 0.00 WT2 H ATOM 28294 OH2 TIP3 1431 63.068 23.601 58.711 1.00 0.00 WT2 O ATOM 28295 H1 TIP3 1431 62.282 23.498 58.175 1.00 0.00 WT2 H ATOM 28296 H2 TIP3 1431 63.766 23.200 58.193 1.00 0.00 WT2 H ATOM 28297 OH2 TIP3 1432 56.355 69.638 -4.774 1.00 0.00 WT2 O ATOM 28298 H1 TIP3 1432 56.886 70.258 -4.274 1.00 0.00 WT2 H ATOM 28299 H2 TIP3 1432 56.649 68.777 -4.476 1.00 0.00 WT2 H ATOM 28300 OH2 TIP3 1433 81.332 66.623 51.350 1.00 0.00 WT2 O ATOM 28301 H1 TIP3 1433 80.433 66.470 51.059 1.00 0.00 WT2 H ATOM 28302 H2 TIP3 1433 81.589 65.805 51.775 1.00 0.00 WT2 H ATOM 28303 OH2 TIP3 1435 53.752 14.791 32.128 1.00 0.00 WT2 O ATOM 28304 H1 TIP3 1435 53.323 15.127 32.915 1.00 0.00 WT2 H ATOM 28305 H2 TIP3 1435 53.356 13.931 31.987 1.00 0.00 WT2 H ATOM 28306 OH2 TIP3 1440 86.220 49.672 14.826 1.00 0.00 WT2 O ATOM 28307 H1 TIP3 1440 85.835 49.899 15.673 1.00 0.00 WT2 H ATOM 28308 H2 TIP3 1440 87.132 49.956 14.894 1.00 0.00 WT2 H ATOM 28309 OH2 TIP3 1450 43.241 28.325 48.510 1.00 0.00 WT2 O ATOM 28310 H1 TIP3 1450 43.952 28.584 47.924 1.00 0.00 WT2 H ATOM 28311 H2 TIP3 1450 42.528 28.071 47.925 1.00 0.00 WT2 H ATOM 28312 OH2 TIP3 1451 26.817 4.604 21.953 1.00 0.00 WT2 O ATOM 28313 H1 TIP3 1451 26.524 3.700 22.068 1.00 0.00 WT2 H ATOM 28314 H2 TIP3 1451 26.008 5.116 21.919 1.00 0.00 WT2 H ATOM 28315 OH2 TIP3 1452 64.885 9.507 60.119 1.00 0.00 WT2 O ATOM 28316 H1 TIP3 1452 64.291 10.152 60.502 1.00 0.00 WT2 H ATOM 28317 H2 TIP3 1452 65.760 9.821 60.349 1.00 0.00 WT2 H ATOM 28318 OH2 TIP3 1453 86.994 75.237 -13.847 1.00 0.00 WT2 O ATOM 28319 H1 TIP3 1453 86.349 75.843 -13.482 1.00 0.00 WT2 H ATOM 28320 H2 TIP3 1453 86.575 74.378 -13.789 1.00 0.00 WT2 H ATOM 28321 OH2 TIP3 1454 46.752 15.702 3.466 1.00 0.00 WT2 O ATOM 28322 H1 TIP3 1454 46.275 15.665 4.296 1.00 0.00 WT2 H ATOM 28323 H2 TIP3 1454 46.698 16.620 3.200 1.00 0.00 WT2 H ATOM 28324 OH2 TIP3 1457 54.477 27.679 40.310 1.00 0.00 WT2 O ATOM 28325 H1 TIP3 1457 54.978 26.877 40.459 1.00 0.00 WT2 H ATOM 28326 H2 TIP3 1457 54.030 27.840 41.141 1.00 0.00 WT2 H ATOM 28327 OH2 TIP3 1458 58.843 39.066 56.554 1.00 0.00 WT2 O ATOM 28328 H1 TIP3 1458 58.341 39.663 55.999 1.00 0.00 WT2 H ATOM 28329 H2 TIP3 1458 59.548 38.749 55.990 1.00 0.00 WT2 H ATOM 28330 OH2 TIP3 1466 29.937 45.347 57.588 1.00 0.00 WT2 O ATOM 28331 H1 TIP3 1466 30.217 46.151 57.151 1.00 0.00 WT2 H ATOM 28332 H2 TIP3 1466 30.458 44.656 57.177 1.00 0.00 WT2 H ATOM 28333 OH2 TIP3 1471 66.699 30.755 5.653 1.00 0.00 WT2 O ATOM 28334 H1 TIP3 1471 66.754 31.253 6.469 1.00 0.00 WT2 H ATOM 28335 H2 TIP3 1471 66.247 31.340 5.045 1.00 0.00 WT2 H ATOM 28336 OH2 TIP3 1474 35.687 12.344 56.005 1.00 0.00 WT2 O ATOM 28337 H1 TIP3 1474 36.079 11.665 55.456 1.00 0.00 WT2 H ATOM 28338 H2 TIP3 1474 36.243 13.111 55.870 1.00 0.00 WT2 H ATOM 28339 OH2 TIP3 1477 87.847 31.026 30.301 1.00 0.00 WT2 O ATOM 28340 H1 TIP3 1477 88.127 31.899 30.574 1.00 0.00 WT2 H ATOM 28341 H2 TIP3 1477 86.961 31.153 29.961 1.00 0.00 WT2 H ATOM 28342 OH2 TIP3 1478 56.346 39.066 -12.301 1.00 0.00 WT2 O ATOM 28343 H1 TIP3 1478 56.885 39.441 -11.604 1.00 0.00 WT2 H ATOM 28344 H2 TIP3 1478 55.448 39.292 -12.057 1.00 0.00 WT2 H ATOM 28345 OH2 TIP3 1480 39.478 25.694 -15.810 1.00 0.00 WT2 O ATOM 28346 H1 TIP3 1480 38.729 26.091 -15.367 1.00 0.00 WT2 H ATOM 28347 H2 TIP3 1480 40.147 25.618 -15.130 1.00 0.00 WT2 H ATOM 28348 OH2 TIP3 1492 24.847 46.272 44.784 1.00 0.00 WT2 O ATOM 28349 H1 TIP3 1492 24.346 45.818 45.462 1.00 0.00 WT2 H ATOM 28350 H2 TIP3 1492 24.392 46.060 43.968 1.00 0.00 WT2 H ATOM 28351 OH2 TIP3 1493 21.961 86.240 29.116 1.00 0.00 WT2 O ATOM 28352 H1 TIP3 1493 21.491 86.449 29.924 1.00 0.00 WT2 H ATOM 28353 H2 TIP3 1493 21.459 86.676 28.427 1.00 0.00 WT2 H ATOM 28354 OH2 TIP3 1494 27.999 73.891 40.767 1.00 0.00 WT2 O ATOM 28355 H1 TIP3 1494 28.051 73.907 39.811 1.00 0.00 WT2 H ATOM 28356 H2 TIP3 1494 28.060 72.963 40.995 1.00 0.00 WT2 H ATOM 28357 OH2 TIP3 1496 75.300 12.182 10.192 1.00 0.00 WT2 O ATOM 28358 H1 TIP3 1496 75.361 11.966 11.123 1.00 0.00 WT2 H ATOM 28359 H2 TIP3 1496 75.296 13.138 10.168 1.00 0.00 WT2 H ATOM 28360 OH2 TIP3 1497 63.806 38.707 -17.894 1.00 0.00 WT2 O ATOM 28361 H1 TIP3 1497 63.780 39.663 -17.934 1.00 0.00 WT2 H ATOM 28362 H2 TIP3 1497 63.882 38.508 -16.961 1.00 0.00 WT2 H ATOM 28363 OH2 TIP3 1499 36.223 33.855 18.238 1.00 0.00 WT2 O ATOM 28364 H1 TIP3 1499 36.746 34.634 18.428 1.00 0.00 WT2 H ATOM 28365 H2 TIP3 1499 36.711 33.400 17.552 1.00 0.00 WT2 H ATOM 28366 OH2 TIP3 1512 20.466 93.024 48.526 1.00 0.00 WT2 O ATOM 28367 H1 TIP3 1512 19.623 93.053 48.980 1.00 0.00 WT2 H ATOM 28368 H2 TIP3 1512 21.112 93.200 49.210 1.00 0.00 WT2 H ATOM 28369 OH2 TIP3 1514 22.826 69.807 44.706 1.00 0.00 WT2 O ATOM 28370 H1 TIP3 1514 23.606 69.685 45.247 1.00 0.00 WT2 H ATOM 28371 H2 TIP3 1514 22.228 69.114 44.986 1.00 0.00 WT2 H ATOM 28372 OH2 TIP3 1515 65.174 10.672 33.558 1.00 0.00 WT2 O ATOM 28373 H1 TIP3 1515 65.046 11.580 33.833 1.00 0.00 WT2 H ATOM 28374 H2 TIP3 1515 65.179 10.172 34.374 1.00 0.00 WT2 H ATOM 28375 OH2 TIP3 1519 79.861 96.665 -9.638 1.00 0.00 WT2 O ATOM 28376 H1 TIP3 1519 80.368 96.185 -8.982 1.00 0.00 WT2 H ATOM 28377 H2 TIP3 1519 78.979 96.299 -9.573 1.00 0.00 WT2 H ATOM 28378 OH2 TIP3 1531 32.370 22.393 -0.141 1.00 0.00 WT2 O ATOM 28379 H1 TIP3 1531 32.462 21.776 -0.868 1.00 0.00 WT2 H ATOM 28380 H2 TIP3 1531 33.264 22.680 0.044 1.00 0.00 WT2 H ATOM 28381 OH2 TIP3 1532 39.977 22.820 46.296 1.00 0.00 WT2 O ATOM 28382 H1 TIP3 1532 39.347 22.175 45.975 1.00 0.00 WT2 H ATOM 28383 H2 TIP3 1532 40.093 23.426 45.565 1.00 0.00 WT2 H ATOM 28384 OH2 TIP3 1534 40.757 7.538 36.921 1.00 0.00 WT2 O ATOM 28385 H1 TIP3 1534 40.913 8.482 36.921 1.00 0.00 WT2 H ATOM 28386 H2 TIP3 1534 41.455 7.179 37.469 1.00 0.00 WT2 H ATOM 28387 OH2 TIP3 1535 67.285 60.647 60.298 1.00 0.00 WT2 O ATOM 28388 H1 TIP3 1535 66.353 60.808 60.152 1.00 0.00 WT2 H ATOM 28389 H2 TIP3 1535 67.711 60.959 59.500 1.00 0.00 WT2 H ATOM 28390 OH2 TIP3 1536 59.593 63.825 59.041 1.00 0.00 WT2 O ATOM 28391 H1 TIP3 1536 59.546 64.108 58.127 1.00 0.00 WT2 H ATOM 28392 H2 TIP3 1536 58.805 64.189 59.445 1.00 0.00 WT2 H ATOM 28393 OH2 TIP3 1537 77.762 24.575 51.175 1.00 0.00 WT2 O ATOM 28394 H1 TIP3 1537 76.925 24.906 50.848 1.00 0.00 WT2 H ATOM 28395 H2 TIP3 1537 78.114 24.057 50.452 1.00 0.00 WT2 H ATOM 28396 OH2 TIP3 1538 21.443 57.136 -17.977 1.00 0.00 WT2 O ATOM 28397 H1 TIP3 1538 21.756 57.907 -18.452 1.00 0.00 WT2 H ATOM 28398 H2 TIP3 1538 21.199 57.469 -17.114 1.00 0.00 WT2 H ATOM 28399 OH2 TIP3 1539 66.725 36.274 15.731 1.00 0.00 WT2 O ATOM 28400 H1 TIP3 1539 66.716 35.327 15.595 1.00 0.00 WT2 H ATOM 28401 H2 TIP3 1539 65.815 36.543 15.611 1.00 0.00 WT2 H ATOM 28402 OH2 TIP3 1540 54.655 64.270 38.237 1.00 0.00 WT2 O ATOM 28403 H1 TIP3 1540 53.981 64.377 37.566 1.00 0.00 WT2 H ATOM 28404 H2 TIP3 1540 54.453 63.430 38.649 1.00 0.00 WT2 H ATOM 28405 OH2 TIP3 1551 86.506 24.992 -17.653 1.00 0.00 WT2 O ATOM 28406 H1 TIP3 1551 87.459 24.981 -17.563 1.00 0.00 WT2 H ATOM 28407 H2 TIP3 1551 86.354 24.994 -18.598 1.00 0.00 WT2 H ATOM 28408 OH2 TIP3 1552 56.909 46.599 52.009 1.00 0.00 WT2 O ATOM 28409 H1 TIP3 1552 57.253 47.187 52.682 1.00 0.00 WT2 H ATOM 28410 H2 TIP3 1552 56.552 45.858 52.497 1.00 0.00 WT2 H ATOM 28411 OH2 TIP3 1555 41.383 94.729 -18.346 1.00 0.00 WT2 O ATOM 28412 H1 TIP3 1555 40.506 94.676 -17.969 1.00 0.00 WT2 H ATOM 28413 H2 TIP3 1555 41.745 93.849 -18.237 1.00 0.00 WT2 H ATOM 28414 OH2 TIP3 1558 63.867 16.769 50.864 1.00 0.00 WT2 O ATOM 28415 H1 TIP3 1558 63.756 16.479 49.959 1.00 0.00 WT2 H ATOM 28416 H2 TIP3 1558 64.665 16.332 51.160 1.00 0.00 WT2 H ATOM 28417 OH2 TIP3 1559 81.670 39.780 54.089 1.00 0.00 WT2 O ATOM 28418 H1 TIP3 1559 82.497 40.207 54.314 1.00 0.00 WT2 H ATOM 28419 H2 TIP3 1559 81.432 39.290 54.877 1.00 0.00 WT2 H ATOM 28420 OH2 TIP3 1560 89.820 49.645 -4.453 1.00 0.00 WT2 O ATOM 28421 H1 TIP3 1560 89.559 50.260 -5.138 1.00 0.00 WT2 H ATOM 28422 H2 TIP3 1560 89.041 49.108 -4.303 1.00 0.00 WT2 H ATOM 28423 OH2 TIP3 1561 70.036 28.742 -2.951 1.00 0.00 WT2 O ATOM 28424 H1 TIP3 1561 70.189 27.806 -3.077 1.00 0.00 WT2 H ATOM 28425 H2 TIP3 1561 69.689 28.811 -2.062 1.00 0.00 WT2 H ATOM 28426 OH2 TIP3 1576 26.144 65.441 38.991 1.00 0.00 WT2 O ATOM 28427 H1 TIP3 1576 26.147 64.532 39.291 1.00 0.00 WT2 H ATOM 28428 H2 TIP3 1576 27.062 65.710 39.030 1.00 0.00 WT2 H ATOM 28429 OH2 TIP3 1577 56.083 32.549 57.181 1.00 0.00 WT2 O ATOM 28430 H1 TIP3 1577 56.060 32.306 56.255 1.00 0.00 WT2 H ATOM 28431 H2 TIP3 1577 55.458 31.957 57.600 1.00 0.00 WT2 H ATOM 28432 OH2 TIP3 1578 33.229 68.106 42.568 1.00 0.00 WT2 O ATOM 28433 H1 TIP3 1578 32.759 67.437 42.070 1.00 0.00 WT2 H ATOM 28434 H2 TIP3 1578 34.034 67.672 42.851 1.00 0.00 WT2 H ATOM 28435 OH2 TIP3 1579 52.320 53.348 -18.125 1.00 0.00 WT2 O ATOM 28436 H1 TIP3 1579 52.843 52.582 -18.363 1.00 0.00 WT2 H ATOM 28437 H2 TIP3 1579 51.608 52.995 -17.591 1.00 0.00 WT2 H ATOM 28438 OH2 TIP3 1580 48.095 54.835 7.344 1.00 0.00 WT2 O ATOM 28439 H1 TIP3 1580 48.615 55.329 7.978 1.00 0.00 WT2 H ATOM 28440 H2 TIP3 1580 48.293 55.243 6.501 1.00 0.00 WT2 H ATOM 28441 OH2 TIP3 1582 34.369 36.846 24.571 1.00 0.00 WT2 O ATOM 28442 H1 TIP3 1582 35.200 36.928 25.039 1.00 0.00 WT2 H ATOM 28443 H2 TIP3 1582 34.423 37.497 23.871 1.00 0.00 WT2 H ATOM 28444 OH2 TIP3 1583 90.338 26.608 12.221 1.00 0.00 WT2 O ATOM 28445 H1 TIP3 1583 90.597 25.852 12.748 1.00 0.00 WT2 H ATOM 28446 H2 TIP3 1583 89.893 27.189 12.837 1.00 0.00 WT2 H ATOM 28447 OH2 TIP3 1599 41.478 31.304 65.933 1.00 0.00 WT2 O ATOM 28448 H1 TIP3 1599 40.802 31.418 66.601 1.00 0.00 WT2 H ATOM 28449 H2 TIP3 1599 41.068 31.610 65.123 1.00 0.00 WT2 H ATOM 28450 OH2 TIP3 1601 56.542 68.643 63.504 1.00 0.00 WT2 O ATOM 28451 H1 TIP3 1601 56.200 68.820 62.628 1.00 0.00 WT2 H ATOM 28452 H2 TIP3 1601 57.471 68.870 63.450 1.00 0.00 WT2 H ATOM 28453 OH2 TIP3 1604 57.608 34.754 61.516 1.00 0.00 WT2 O ATOM 28454 H1 TIP3 1604 57.462 35.326 60.762 1.00 0.00 WT2 H ATOM 28455 H2 TIP3 1604 58.484 34.986 61.826 1.00 0.00 WT2 H ATOM 28456 OH2 TIP3 1605 78.813 35.562 60.425 1.00 0.00 WT2 O ATOM 28457 H1 TIP3 1605 78.684 36.461 60.123 1.00 0.00 WT2 H ATOM 28458 H2 TIP3 1605 78.787 35.034 59.626 1.00 0.00 WT2 H ATOM 28459 OH2 TIP3 1616 35.630 15.028 -18.327 1.00 0.00 WT2 O ATOM 28460 H1 TIP3 1616 35.464 15.579 -19.091 1.00 0.00 WT2 H ATOM 28461 H2 TIP3 1616 35.166 15.462 -17.611 1.00 0.00 WT2 H ATOM 28462 OH2 TIP3 1617 64.653 60.603 60.058 1.00 0.00 WT2 O ATOM 28463 H1 TIP3 1617 63.999 60.422 59.383 1.00 0.00 WT2 H ATOM 28464 H2 TIP3 1617 64.167 60.558 60.881 1.00 0.00 WT2 H ATOM 28465 OH2 TIP3 1618 24.817 63.614 23.990 1.00 0.00 WT2 O ATOM 28466 H1 TIP3 1618 24.702 62.673 23.855 1.00 0.00 WT2 H ATOM 28467 H2 TIP3 1618 25.747 63.768 23.823 1.00 0.00 WT2 H ATOM 28468 OH2 TIP3 1620 38.198 72.538 -18.705 1.00 0.00 WT2 O ATOM 28469 H1 TIP3 1620 38.140 73.387 -18.267 1.00 0.00 WT2 H ATOM 28470 H2 TIP3 1620 37.633 72.625 -19.473 1.00 0.00 WT2 H ATOM 28471 OH2 TIP3 1621 25.618 23.624 11.985 1.00 0.00 WT2 O ATOM 28472 H1 TIP3 1621 26.454 23.908 11.615 1.00 0.00 WT2 H ATOM 28473 H2 TIP3 1621 25.586 22.683 11.811 1.00 0.00 WT2 H ATOM 28474 OH2 TIP3 1622 82.903 41.655 48.002 1.00 0.00 WT2 O ATOM 28475 H1 TIP3 1622 82.446 41.845 47.182 1.00 0.00 WT2 H ATOM 28476 H2 TIP3 1622 83.240 40.766 47.888 1.00 0.00 WT2 H ATOM 28477 OH2 TIP3 1623 31.375 26.296 -19.039 1.00 0.00 WT2 O ATOM 28478 H1 TIP3 1623 31.183 26.077 -18.127 1.00 0.00 WT2 H ATOM 28479 H2 TIP3 1623 30.878 27.097 -19.204 1.00 0.00 WT2 H ATOM 28480 OH2 TIP3 1624 34.828 84.115 -17.750 1.00 0.00 WT2 O ATOM 28481 H1 TIP3 1624 34.244 84.798 -17.420 1.00 0.00 WT2 H ATOM 28482 H2 TIP3 1624 35.302 84.532 -18.470 1.00 0.00 WT2 H ATOM 28483 OH2 TIP3 1625 23.347 87.649 59.158 1.00 0.00 WT2 O ATOM 28484 H1 TIP3 1625 23.443 87.809 60.097 1.00 0.00 WT2 H ATOM 28485 H2 TIP3 1625 23.459 88.510 58.755 1.00 0.00 WT2 H ATOM 28486 OH2 TIP3 1628 73.873 58.484 7.402 1.00 0.00 WT2 O ATOM 28487 H1 TIP3 1628 74.519 58.485 8.108 1.00 0.00 WT2 H ATOM 28488 H2 TIP3 1628 73.042 58.675 7.837 1.00 0.00 WT2 H ATOM 28489 OH2 TIP3 1638 32.986 76.256 26.895 1.00 0.00 WT2 O ATOM 28490 H1 TIP3 1638 32.130 76.517 26.556 1.00 0.00 WT2 H ATOM 28491 H2 TIP3 1638 33.296 77.021 27.381 1.00 0.00 WT2 H ATOM 28492 OH2 TIP3 1639 67.309 70.200 65.757 1.00 0.00 WT2 O ATOM 28493 H1 TIP3 1639 67.146 71.135 65.637 1.00 0.00 WT2 H ATOM 28494 H2 TIP3 1639 66.512 69.774 65.442 1.00 0.00 WT2 H ATOM 28495 OH2 TIP3 1640 58.199 0.180 42.015 1.00 0.00 WT2 O ATOM 28496 H1 TIP3 1640 57.637 -0.445 41.557 1.00 0.00 WT2 H ATOM 28497 H2 TIP3 1640 58.228 0.944 41.439 1.00 0.00 WT2 H ATOM 28498 OH2 TIP3 1641 64.103 6.444 46.056 1.00 0.00 WT2 O ATOM 28499 H1 TIP3 1641 63.941 5.609 45.617 1.00 0.00 WT2 H ATOM 28500 H2 TIP3 1641 64.076 6.234 46.990 1.00 0.00 WT2 H ATOM 28501 OH2 TIP3 1643 74.196 61.068 46.739 1.00 0.00 WT2 O ATOM 28502 H1 TIP3 1643 73.678 60.458 47.264 1.00 0.00 WT2 H ATOM 28503 H2 TIP3 1643 74.960 61.263 47.282 1.00 0.00 WT2 H ATOM 28504 OH2 TIP3 1645 30.885 74.310 42.095 1.00 0.00 WT2 O ATOM 28505 H1 TIP3 1645 31.654 73.741 42.113 1.00 0.00 WT2 H ATOM 28506 H2 TIP3 1645 30.142 73.708 42.043 1.00 0.00 WT2 H ATOM 28507 OH2 TIP3 1647 43.214 18.147 62.087 1.00 0.00 WT2 O ATOM 28508 H1 TIP3 1647 43.040 17.422 61.485 1.00 0.00 WT2 H ATOM 28509 H2 TIP3 1647 42.349 18.416 62.394 1.00 0.00 WT2 H ATOM 28510 OH2 TIP3 1648 71.562 67.217 6.519 1.00 0.00 WT2 O ATOM 28511 H1 TIP3 1648 72.331 66.660 6.399 1.00 0.00 WT2 H ATOM 28512 H2 TIP3 1648 70.876 66.794 6.003 1.00 0.00 WT2 H ATOM 28513 OH2 TIP3 1656 27.600 8.999 32.800 1.00 0.00 WT2 O ATOM 28514 H1 TIP3 1656 27.052 8.232 32.963 1.00 0.00 WT2 H ATOM 28515 H2 TIP3 1656 27.275 9.661 33.410 1.00 0.00 WT2 H ATOM 28516 OH2 TIP3 1658 72.037 34.903 53.415 1.00 0.00 WT2 O ATOM 28517 H1 TIP3 1658 71.080 34.873 53.423 1.00 0.00 WT2 H ATOM 28518 H2 TIP3 1658 72.249 35.832 53.503 1.00 0.00 WT2 H ATOM 28519 OH2 TIP3 1659 24.923 61.912 17.954 1.00 0.00 WT2 O ATOM 28520 H1 TIP3 1659 25.201 62.790 18.217 1.00 0.00 WT2 H ATOM 28521 H2 TIP3 1659 25.257 61.339 18.644 1.00 0.00 WT2 H ATOM 28522 OH2 TIP3 1661 81.362 78.647 66.898 1.00 0.00 WT2 O ATOM 28523 H1 TIP3 1661 80.466 78.604 66.563 1.00 0.00 WT2 H ATOM 28524 H2 TIP3 1661 81.386 79.454 67.413 1.00 0.00 WT2 H ATOM 28525 OH2 TIP3 1662 40.980 89.114 -1.751 1.00 0.00 WT2 O ATOM 28526 H1 TIP3 1662 40.743 88.317 -1.277 1.00 0.00 WT2 H ATOM 28527 H2 TIP3 1662 41.398 88.800 -2.553 1.00 0.00 WT2 H ATOM 28528 OH2 TIP3 1663 86.685 77.597 9.297 1.00 0.00 WT2 O ATOM 28529 H1 TIP3 1663 86.814 77.174 10.145 1.00 0.00 WT2 H ATOM 28530 H2 TIP3 1663 87.571 77.752 8.968 1.00 0.00 WT2 H ATOM 28531 OH2 TIP3 1664 82.045 36.138 -18.612 1.00 0.00 WT2 O ATOM 28532 H1 TIP3 1664 81.472 36.842 -18.307 1.00 0.00 WT2 H ATOM 28533 H2 TIP3 1664 81.901 36.104 -19.558 1.00 0.00 WT2 H ATOM 28534 OH2 TIP3 1665 56.872 32.338 33.619 1.00 0.00 WT2 O ATOM 28535 H1 TIP3 1665 56.469 32.998 33.055 1.00 0.00 WT2 H ATOM 28536 H2 TIP3 1665 56.133 31.857 33.991 1.00 0.00 WT2 H ATOM 28537 OH2 TIP3 1666 49.030 61.528 61.929 1.00 0.00 WT2 O ATOM 28538 H1 TIP3 1666 48.846 62.313 61.412 1.00 0.00 WT2 H ATOM 28539 H2 TIP3 1666 48.215 61.354 62.399 1.00 0.00 WT2 H ATOM 28540 OH2 TIP3 1667 37.191 71.183 -16.569 1.00 0.00 WT2 O ATOM 28541 H1 TIP3 1667 37.454 71.891 -17.157 1.00 0.00 WT2 H ATOM 28542 H2 TIP3 1667 37.619 70.404 -16.924 1.00 0.00 WT2 H ATOM 28543 OH2 TIP3 1681 36.254 43.272 -14.646 1.00 0.00 WT2 O ATOM 28544 H1 TIP3 1681 35.574 43.760 -14.183 1.00 0.00 WT2 H ATOM 28545 H2 TIP3 1681 36.657 43.916 -15.228 1.00 0.00 WT2 H ATOM 28546 OH2 TIP3 1683 54.892 16.669 57.162 1.00 0.00 WT2 O ATOM 28547 H1 TIP3 1683 55.519 16.823 57.869 1.00 0.00 WT2 H ATOM 28548 H2 TIP3 1683 54.465 17.515 57.031 1.00 0.00 WT2 H ATOM 28549 OH2 TIP3 1684 89.649 44.577 33.874 1.00 0.00 WT2 O ATOM 28550 H1 TIP3 1684 89.048 43.939 33.490 1.00 0.00 WT2 H ATOM 28551 H2 TIP3 1684 89.363 45.419 33.521 1.00 0.00 WT2 H ATOM 28552 OH2 TIP3 1686 44.621 94.066 58.248 1.00 0.00 WT2 O ATOM 28553 H1 TIP3 1686 43.979 93.657 58.829 1.00 0.00 WT2 H ATOM 28554 H2 TIP3 1686 44.661 93.485 57.488 1.00 0.00 WT2 H ATOM 28555 OH2 TIP3 1687 22.241 38.392 29.404 1.00 0.00 WT2 O ATOM 28556 H1 TIP3 1687 21.812 39.132 28.973 1.00 0.00 WT2 H ATOM 28557 H2 TIP3 1687 23.077 38.301 28.947 1.00 0.00 WT2 H ATOM 28558 OH2 TIP3 1688 54.933 54.336 -0.089 1.00 0.00 WT2 O ATOM 28559 H1 TIP3 1688 54.886 55.281 0.052 1.00 0.00 WT2 H ATOM 28560 H2 TIP3 1688 55.276 53.987 0.733 1.00 0.00 WT2 H ATOM 28561 OH2 TIP3 1689 62.035 17.923 65.792 1.00 0.00 WT2 O ATOM 28562 H1 TIP3 1689 61.317 18.103 65.185 1.00 0.00 WT2 H ATOM 28563 H2 TIP3 1689 61.720 18.242 66.638 1.00 0.00 WT2 H ATOM 28564 OH2 TIP3 1691 62.804 43.207 60.104 1.00 0.00 WT2 O ATOM 28565 H1 TIP3 1691 63.016 42.420 59.602 1.00 0.00 WT2 H ATOM 28566 H2 TIP3 1691 63.579 43.761 60.020 1.00 0.00 WT2 H ATOM 28567 OH2 TIP3 1701 23.855 84.638 24.719 1.00 0.00 WT2 O ATOM 28568 H1 TIP3 1701 23.951 85.014 25.594 1.00 0.00 WT2 H ATOM 28569 H2 TIP3 1701 24.481 85.121 24.180 1.00 0.00 WT2 H ATOM 28570 OH2 TIP3 1702 75.161 69.020 -0.965 1.00 0.00 WT2 O ATOM 28571 H1 TIP3 1702 75.326 68.169 -1.370 1.00 0.00 WT2 H ATOM 28572 H2 TIP3 1702 74.638 68.820 -0.188 1.00 0.00 WT2 H ATOM 28573 OH2 TIP3 1704 89.661 80.964 34.362 1.00 0.00 WT2 O ATOM 28574 H1 TIP3 1704 89.067 81.169 33.640 1.00 0.00 WT2 H ATOM 28575 H2 TIP3 1704 90.408 80.535 33.944 1.00 0.00 WT2 H ATOM 28576 OH2 TIP3 1706 40.054 43.751 50.568 1.00 0.00 WT2 O ATOM 28577 H1 TIP3 1706 39.871 43.532 49.654 1.00 0.00 WT2 H ATOM 28578 H2 TIP3 1706 40.463 44.616 50.531 1.00 0.00 WT2 H ATOM 28579 OH2 TIP3 1707 88.634 70.206 60.169 1.00 0.00 WT2 O ATOM 28580 H1 TIP3 1707 88.138 71.023 60.223 1.00 0.00 WT2 H ATOM 28581 H2 TIP3 1707 88.978 70.192 59.276 1.00 0.00 WT2 H ATOM 28582 OH2 TIP3 1708 50.274 41.222 -1.764 1.00 0.00 WT2 O ATOM 28583 H1 TIP3 1708 49.406 41.473 -2.083 1.00 0.00 WT2 H ATOM 28584 H2 TIP3 1708 50.124 40.933 -0.864 1.00 0.00 WT2 H ATOM 28585 OH2 TIP3 1710 84.347 50.189 66.331 1.00 0.00 WT2 O ATOM 28586 H1 TIP3 1710 84.379 49.697 67.152 1.00 0.00 WT2 H ATOM 28587 H2 TIP3 1710 83.675 50.855 66.476 1.00 0.00 WT2 H ATOM 28588 OH2 TIP3 1723 48.717 23.336 52.030 1.00 0.00 WT2 O ATOM 28589 H1 TIP3 1723 48.968 24.210 52.329 1.00 0.00 WT2 H ATOM 28590 H2 TIP3 1723 47.787 23.268 52.244 1.00 0.00 WT2 H ATOM 28591 OH2 TIP3 1725 66.766 82.496 2.786 1.00 0.00 WT2 O ATOM 28592 H1 TIP3 1725 66.014 81.981 3.079 1.00 0.00 WT2 H ATOM 28593 H2 TIP3 1725 67.047 82.072 1.975 1.00 0.00 WT2 H ATOM 28594 OH2 TIP3 1728 59.246 32.263 9.597 1.00 0.00 WT2 O ATOM 28595 H1 TIP3 1728 59.841 32.945 9.285 1.00 0.00 WT2 H ATOM 28596 H2 TIP3 1728 58.576 32.736 10.091 1.00 0.00 WT2 H ATOM 28597 OH2 TIP3 1730 87.385 29.224 4.330 1.00 0.00 WT2 O ATOM 28598 H1 TIP3 1730 88.326 29.077 4.240 1.00 0.00 WT2 H ATOM 28599 H2 TIP3 1730 87.006 28.346 4.356 1.00 0.00 WT2 H ATOM 28600 OH2 TIP3 1731 47.117 48.042 56.828 1.00 0.00 WT2 O ATOM 28601 H1 TIP3 1731 46.171 48.170 56.758 1.00 0.00 WT2 H ATOM 28602 H2 TIP3 1731 47.403 48.705 57.456 1.00 0.00 WT2 H ATOM 28603 OH2 TIP3 1733 66.930 89.987 63.768 1.00 0.00 WT2 O ATOM 28604 H1 TIP3 1733 67.711 89.623 63.351 1.00 0.00 WT2 H ATOM 28605 H2 TIP3 1733 66.429 90.368 63.047 1.00 0.00 WT2 H ATOM 28606 OH2 TIP3 1738 49.244 81.631 -16.409 1.00 0.00 WT2 O ATOM 28607 H1 TIP3 1738 48.813 82.471 -16.255 1.00 0.00 WT2 H ATOM 28608 H2 TIP3 1738 49.018 81.101 -15.645 1.00 0.00 WT2 H ATOM 28609 OH2 TIP3 1744 25.095 28.252 27.133 1.00 0.00 WT2 O ATOM 28610 H1 TIP3 1744 25.827 27.927 27.656 1.00 0.00 WT2 H ATOM 28611 H2 TIP3 1744 24.829 27.503 26.600 1.00 0.00 WT2 H ATOM 28612 OH2 TIP3 1746 59.632 8.711 1.718 1.00 0.00 WT2 O ATOM 28613 H1 TIP3 1746 59.692 8.906 2.654 1.00 0.00 WT2 H ATOM 28614 H2 TIP3 1746 59.825 9.544 1.287 1.00 0.00 WT2 H ATOM 28615 OH2 TIP3 1747 38.691 48.479 -0.400 1.00 0.00 WT2 O ATOM 28616 H1 TIP3 1747 39.211 47.992 -1.040 1.00 0.00 WT2 H ATOM 28617 H2 TIP3 1747 39.306 49.105 -0.018 1.00 0.00 WT2 H ATOM 28618 OH2 TIP3 1748 57.157 93.519 19.585 1.00 0.00 WT2 O ATOM 28619 H1 TIP3 1748 57.961 93.140 19.232 1.00 0.00 WT2 H ATOM 28620 H2 TIP3 1748 56.572 93.589 18.831 1.00 0.00 WT2 H ATOM 28621 OH2 TIP3 1749 56.364 89.279 -7.575 1.00 0.00 WT2 O ATOM 28622 H1 TIP3 1749 56.459 88.816 -8.408 1.00 0.00 WT2 H ATOM 28623 H2 TIP3 1749 55.423 89.271 -7.402 1.00 0.00 WT2 H ATOM 28624 OH2 TIP3 1750 30.460 95.360 30.091 1.00 0.00 WT2 O ATOM 28625 H1 TIP3 1750 31.161 95.829 29.638 1.00 0.00 WT2 H ATOM 28626 H2 TIP3 1750 29.654 95.733 29.735 1.00 0.00 WT2 H ATOM 28627 OH2 TIP3 1751 87.392 96.368 58.464 1.00 0.00 WT2 O ATOM 28628 H1 TIP3 1751 87.099 96.365 59.376 1.00 0.00 WT2 H ATOM 28629 H2 TIP3 1751 86.786 95.779 58.015 1.00 0.00 WT2 H ATOM 28630 OH2 TIP3 1764 50.986 11.669 -10.598 1.00 0.00 WT2 O ATOM 28631 H1 TIP3 1764 50.111 12.055 -10.542 1.00 0.00 WT2 H ATOM 28632 H2 TIP3 1764 51.529 12.361 -10.976 1.00 0.00 WT2 H ATOM 28633 OH2 TIP3 1766 37.153 49.230 15.329 1.00 0.00 WT2 O ATOM 28634 H1 TIP3 1766 38.092 49.400 15.259 1.00 0.00 WT2 H ATOM 28635 H2 TIP3 1766 36.993 48.508 14.721 1.00 0.00 WT2 H ATOM 28636 OH2 TIP3 1767 82.410 52.289 42.315 1.00 0.00 WT2 O ATOM 28637 H1 TIP3 1767 81.464 52.205 42.439 1.00 0.00 WT2 H ATOM 28638 H2 TIP3 1767 82.643 51.558 41.744 1.00 0.00 WT2 H ATOM 28639 OH2 TIP3 1768 40.157 84.980 52.723 1.00 0.00 WT2 O ATOM 28640 H1 TIP3 1768 40.162 85.587 53.463 1.00 0.00 WT2 H ATOM 28641 H2 TIP3 1768 40.085 85.542 51.952 1.00 0.00 WT2 H ATOM 28642 OH2 TIP3 1769 71.034 70.586 31.789 1.00 0.00 WT2 O ATOM 28643 H1 TIP3 1769 70.214 71.054 31.944 1.00 0.00 WT2 H ATOM 28644 H2 TIP3 1769 71.650 70.969 32.413 1.00 0.00 WT2 H ATOM 28645 OH2 TIP3 1770 68.827 5.651 23.988 1.00 0.00 WT2 O ATOM 28646 H1 TIP3 1770 69.259 5.722 23.136 1.00 0.00 WT2 H ATOM 28647 H2 TIP3 1770 69.532 5.427 24.596 1.00 0.00 WT2 H ATOM 28648 OH2 TIP3 1771 80.665 89.061 -7.638 1.00 0.00 WT2 O ATOM 28649 H1 TIP3 1771 80.902 88.377 -7.013 1.00 0.00 WT2 H ATOM 28650 H2 TIP3 1771 80.153 89.687 -7.126 1.00 0.00 WT2 H ATOM 28651 OH2 TIP3 1773 78.366 74.717 49.843 1.00 0.00 WT2 O ATOM 28652 H1 TIP3 1773 77.742 73.992 49.878 1.00 0.00 WT2 H ATOM 28653 H2 TIP3 1773 78.514 74.861 48.909 1.00 0.00 WT2 H ATOM 28654 OH2 TIP3 1784 32.472 93.137 -4.736 1.00 0.00 WT2 O ATOM 28655 H1 TIP3 1784 33.269 92.683 -4.463 1.00 0.00 WT2 H ATOM 28656 H2 TIP3 1784 32.178 92.662 -5.513 1.00 0.00 WT2 H ATOM 28657 OH2 TIP3 1785 68.119 94.479 -13.095 1.00 0.00 WT2 O ATOM 28658 H1 TIP3 1785 68.050 95.218 -12.491 1.00 0.00 WT2 H ATOM 28659 H2 TIP3 1785 67.983 93.707 -12.546 1.00 0.00 WT2 H ATOM 28660 OH2 TIP3 1788 20.636 43.733 46.188 1.00 0.00 WT2 O ATOM 28661 H1 TIP3 1788 21.498 44.048 45.914 1.00 0.00 WT2 H ATOM 28662 H2 TIP3 1788 20.818 43.131 46.909 1.00 0.00 WT2 H ATOM 28663 OH2 TIP3 1789 23.325 50.943 1.591 1.00 0.00 WT2 O ATOM 28664 H1 TIP3 1789 22.836 50.239 1.164 1.00 0.00 WT2 H ATOM 28665 H2 TIP3 1789 22.859 51.742 1.345 1.00 0.00 WT2 H ATOM 28666 OH2 TIP3 1790 58.444 44.149 1.991 1.00 0.00 WT2 O ATOM 28667 H1 TIP3 1790 57.998 44.597 2.709 1.00 0.00 WT2 H ATOM 28668 H2 TIP3 1790 58.975 43.478 2.420 1.00 0.00 WT2 H ATOM 28669 OH2 TIP3 1791 58.248 78.920 63.985 1.00 0.00 WT2 O ATOM 28670 H1 TIP3 1791 58.582 79.358 63.203 1.00 0.00 WT2 H ATOM 28671 H2 TIP3 1791 58.659 78.056 63.971 1.00 0.00 WT2 H ATOM 28672 OH2 TIP3 1792 55.762 25.170 40.219 1.00 0.00 WT2 O ATOM 28673 H1 TIP3 1792 56.423 24.696 40.724 1.00 0.00 WT2 H ATOM 28674 H2 TIP3 1792 55.651 24.651 39.423 1.00 0.00 WT2 H ATOM 28675 OH2 TIP3 1795 57.013 89.903 57.390 1.00 0.00 WT2 O ATOM 28676 H1 TIP3 1795 56.518 90.714 57.511 1.00 0.00 WT2 H ATOM 28677 H2 TIP3 1795 56.951 89.722 56.453 1.00 0.00 WT2 H ATOM 28678 OH2 TIP3 1796 34.061 9.332 -7.761 1.00 0.00 WT2 O ATOM 28679 H1 TIP3 1796 34.035 8.377 -7.701 1.00 0.00 WT2 H ATOM 28680 H2 TIP3 1796 34.769 9.514 -8.378 1.00 0.00 WT2 H ATOM 28681 OH2 TIP3 1810 46.751 18.946 -16.616 1.00 0.00 WT2 O ATOM 28682 H1 TIP3 1810 47.627 19.238 -16.365 1.00 0.00 WT2 H ATOM 28683 H2 TIP3 1810 46.852 18.627 -17.513 1.00 0.00 WT2 H ATOM 28684 OH2 TIP3 1811 29.383 67.390 64.788 1.00 0.00 WT2 O ATOM 28685 H1 TIP3 1811 30.039 68.081 64.696 1.00 0.00 WT2 H ATOM 28686 H2 TIP3 1811 29.890 66.597 64.958 1.00 0.00 WT2 H ATOM 28687 OH2 TIP3 1813 74.219 14.383 -1.664 1.00 0.00 WT2 O ATOM 28688 H1 TIP3 1813 73.298 14.143 -1.563 1.00 0.00 WT2 H ATOM 28689 H2 TIP3 1813 74.408 14.935 -0.905 1.00 0.00 WT2 H ATOM 28690 OH2 TIP3 1814 42.919 32.842 -8.258 1.00 0.00 WT2 O ATOM 28691 H1 TIP3 1814 42.431 32.035 -8.094 1.00 0.00 WT2 H ATOM 28692 H2 TIP3 1814 43.838 32.587 -8.176 1.00 0.00 WT2 H ATOM 28693 OH2 TIP3 1816 24.129 46.962 -13.411 1.00 0.00 WT2 O ATOM 28694 H1 TIP3 1816 24.457 47.735 -13.871 1.00 0.00 WT2 H ATOM 28695 H2 TIP3 1816 23.408 46.646 -13.956 1.00 0.00 WT2 H ATOM 28696 OH2 TIP3 1824 31.367 54.859 65.152 1.00 0.00 WT2 O ATOM 28697 H1 TIP3 1824 31.335 55.487 65.874 1.00 0.00 WT2 H ATOM 28698 H2 TIP3 1824 30.546 54.370 65.222 1.00 0.00 WT2 H ATOM 28699 OH2 TIP3 1829 83.938 68.341 61.548 1.00 0.00 WT2 O ATOM 28700 H1 TIP3 1829 84.210 67.477 61.240 1.00 0.00 WT2 H ATOM 28701 H2 TIP3 1829 83.116 68.512 61.087 1.00 0.00 WT2 H ATOM 28702 OH2 TIP3 1830 29.453 43.679 -5.379 1.00 0.00 WT2 O ATOM 28703 H1 TIP3 1830 29.747 43.331 -4.537 1.00 0.00 WT2 H ATOM 28704 H2 TIP3 1830 30.195 44.193 -5.699 1.00 0.00 WT2 H ATOM 28705 OH2 TIP3 1831 46.576 5.887 66.091 1.00 0.00 WT2 O ATOM 28706 H1 TIP3 1831 46.817 6.516 66.771 1.00 0.00 WT2 H ATOM 28707 H2 TIP3 1831 45.873 6.317 65.604 1.00 0.00 WT2 H ATOM 28708 OH2 TIP3 1832 38.702 84.551 40.370 1.00 0.00 WT2 O ATOM 28709 H1 TIP3 1832 39.395 83.973 40.689 1.00 0.00 WT2 H ATOM 28710 H2 TIP3 1832 38.953 84.751 39.468 1.00 0.00 WT2 H ATOM 28711 OH2 TIP3 1835 76.479 48.864 34.404 1.00 0.00 WT2 O ATOM 28712 H1 TIP3 1835 75.755 48.239 34.432 1.00 0.00 WT2 H ATOM 28713 H2 TIP3 1835 76.056 49.715 34.287 1.00 0.00 WT2 H ATOM 28714 OH2 TIP3 1837 72.637 61.431 25.851 1.00 0.00 WT2 O ATOM 28715 H1 TIP3 1837 72.148 62.003 26.442 1.00 0.00 WT2 H ATOM 28716 H2 TIP3 1837 72.781 60.631 26.356 1.00 0.00 WT2 H ATOM 28717 OH2 TIP3 1847 37.379 24.644 52.316 1.00 0.00 WT2 O ATOM 28718 H1 TIP3 1847 37.552 25.573 52.159 1.00 0.00 WT2 H ATOM 28719 H2 TIP3 1847 38.165 24.198 52.000 1.00 0.00 WT2 H ATOM 28720 OH2 TIP3 1850 87.991 3.429 39.405 1.00 0.00 WT2 O ATOM 28721 H1 TIP3 1850 88.768 3.869 39.749 1.00 0.00 WT2 H ATOM 28722 H2 TIP3 1850 88.257 3.110 38.543 1.00 0.00 WT2 H ATOM 28723 OH2 TIP3 1851 56.692 31.332 50.530 1.00 0.00 WT2 O ATOM 28724 H1 TIP3 1851 56.195 31.949 49.993 1.00 0.00 WT2 H ATOM 28725 H2 TIP3 1851 56.553 31.630 51.428 1.00 0.00 WT2 H ATOM 28726 OH2 TIP3 1852 48.294 74.417 67.137 1.00 0.00 WT2 O ATOM 28727 H1 TIP3 1852 48.896 74.942 66.609 1.00 0.00 WT2 H ATOM 28728 H2 TIP3 1852 48.860 73.943 67.746 1.00 0.00 WT2 H ATOM 28729 OH2 TIP3 1853 63.507 4.713 -15.033 1.00 0.00 WT2 O ATOM 28730 H1 TIP3 1853 63.553 5.405 -14.373 1.00 0.00 WT2 H ATOM 28731 H2 TIP3 1853 63.631 3.902 -14.539 1.00 0.00 WT2 H ATOM 28732 OH2 TIP3 1854 90.507 64.811 46.244 1.00 0.00 WT2 O ATOM 28733 H1 TIP3 1854 89.691 64.833 45.745 1.00 0.00 WT2 H ATOM 28734 H2 TIP3 1854 90.950 64.016 45.946 1.00 0.00 WT2 H ATOM 28735 OH2 TIP3 1855 70.403 89.238 58.175 1.00 0.00 WT2 O ATOM 28736 H1 TIP3 1855 69.727 89.062 57.520 1.00 0.00 WT2 H ATOM 28737 H2 TIP3 1855 71.079 88.583 58.004 1.00 0.00 WT2 H ATOM 28738 OH2 TIP3 1856 86.451 2.045 -9.173 1.00 0.00 WT2 O ATOM 28739 H1 TIP3 1856 86.770 1.351 -8.597 1.00 0.00 WT2 H ATOM 28740 H2 TIP3 1856 85.497 1.971 -9.132 1.00 0.00 WT2 H ATOM 28741 OH2 TIP3 1870 64.009 94.733 -1.541 1.00 0.00 WT2 O ATOM 28742 H1 TIP3 1870 63.453 94.422 -2.256 1.00 0.00 WT2 H ATOM 28743 H2 TIP3 1870 63.870 95.680 -1.522 1.00 0.00 WT2 H ATOM 28744 OH2 TIP3 1871 82.713 87.060 26.485 1.00 0.00 WT2 O ATOM 28745 H1 TIP3 1871 82.822 86.111 26.550 1.00 0.00 WT2 H ATOM 28746 H2 TIP3 1871 83.369 87.419 27.083 1.00 0.00 WT2 H ATOM 28747 OH2 TIP3 1872 65.836 14.446 6.896 1.00 0.00 WT2 O ATOM 28748 H1 TIP3 1872 65.921 13.986 7.731 1.00 0.00 WT2 H ATOM 28749 H2 TIP3 1872 66.150 15.332 7.077 1.00 0.00 WT2 H ATOM 28750 OH2 TIP3 1873 38.746 26.758 31.952 1.00 0.00 WT2 O ATOM 28751 H1 TIP3 1873 38.697 27.592 31.486 1.00 0.00 WT2 H ATOM 28752 H2 TIP3 1873 39.659 26.693 32.232 1.00 0.00 WT2 H ATOM 28753 OH2 TIP3 1875 47.405 9.661 5.656 1.00 0.00 WT2 O ATOM 28754 H1 TIP3 1875 47.859 9.762 6.492 1.00 0.00 WT2 H ATOM 28755 H2 TIP3 1875 46.840 10.431 5.595 1.00 0.00 WT2 H ATOM 28756 OH2 TIP3 1877 71.713 31.620 57.138 1.00 0.00 WT2 O ATOM 28757 H1 TIP3 1877 72.382 31.244 56.567 1.00 0.00 WT2 H ATOM 28758 H2 TIP3 1877 71.664 32.539 56.877 1.00 0.00 WT2 H ATOM 28759 OH2 TIP3 1881 62.621 25.910 52.250 1.00 0.00 WT2 O ATOM 28760 H1 TIP3 1881 62.838 25.414 51.461 1.00 0.00 WT2 H ATOM 28761 H2 TIP3 1881 62.245 26.728 51.925 1.00 0.00 WT2 H ATOM 28762 OH2 TIP3 1885 29.694 68.496 12.300 1.00 0.00 WT2 O ATOM 28763 H1 TIP3 1885 30.523 68.155 12.637 1.00 0.00 WT2 H ATOM 28764 H2 TIP3 1885 29.091 68.436 13.041 1.00 0.00 WT2 H ATOM 28765 OH2 TIP3 1891 47.612 15.505 -9.573 1.00 0.00 WT2 O ATOM 28766 H1 TIP3 1891 47.608 16.009 -10.386 1.00 0.00 WT2 H ATOM 28767 H2 TIP3 1891 47.152 16.060 -8.944 1.00 0.00 WT2 H ATOM 28768 OH2 TIP3 1892 81.923 90.800 29.826 1.00 0.00 WT2 O ATOM 28769 H1 TIP3 1892 81.702 90.063 29.257 1.00 0.00 WT2 H ATOM 28770 H2 TIP3 1892 81.918 90.431 30.709 1.00 0.00 WT2 H ATOM 28771 OH2 TIP3 1894 88.996 8.585 40.987 1.00 0.00 WT2 O ATOM 28772 H1 TIP3 1894 88.959 7.653 41.200 1.00 0.00 WT2 H ATOM 28773 H2 TIP3 1894 89.931 8.781 40.928 1.00 0.00 WT2 H ATOM 28774 OH2 TIP3 1895 75.311 6.470 5.381 1.00 0.00 WT2 O ATOM 28775 H1 TIP3 1895 75.916 6.967 5.932 1.00 0.00 WT2 H ATOM 28776 H2 TIP3 1895 75.373 5.572 5.705 1.00 0.00 WT2 H ATOM 28777 OH2 TIP3 1896 44.246 40.823 -12.657 1.00 0.00 WT2 O ATOM 28778 H1 TIP3 1896 43.685 41.090 -11.929 1.00 0.00 WT2 H ATOM 28779 H2 TIP3 1896 44.878 41.535 -12.747 1.00 0.00 WT2 H ATOM 28780 OH2 TIP3 1897 87.172 5.175 -7.210 1.00 0.00 WT2 O ATOM 28781 H1 TIP3 1897 87.212 6.043 -7.610 1.00 0.00 WT2 H ATOM 28782 H2 TIP3 1897 86.306 4.842 -7.445 1.00 0.00 WT2 H ATOM 28783 OH2 TIP3 1911 22.339 46.543 62.441 1.00 0.00 WT2 O ATOM 28784 H1 TIP3 1911 22.295 47.074 63.235 1.00 0.00 WT2 H ATOM 28785 H2 TIP3 1911 21.521 46.732 61.980 1.00 0.00 WT2 H ATOM 28786 OH2 TIP3 1912 39.043 80.898 25.226 1.00 0.00 WT2 O ATOM 28787 H1 TIP3 1912 38.934 80.198 25.870 1.00 0.00 WT2 H ATOM 28788 H2 TIP3 1912 38.904 80.470 24.381 1.00 0.00 WT2 H ATOM 28789 OH2 TIP3 1913 88.387 9.841 38.587 1.00 0.00 WT2 O ATOM 28790 H1 TIP3 1913 88.589 9.331 39.372 1.00 0.00 WT2 H ATOM 28791 H2 TIP3 1913 89.129 9.687 38.003 1.00 0.00 WT2 H ATOM 28792 OH2 TIP3 1914 69.076 2.723 21.102 1.00 0.00 WT2 O ATOM 28793 H1 TIP3 1914 68.241 2.703 21.569 1.00 0.00 WT2 H ATOM 28794 H2 TIP3 1914 69.514 3.510 21.426 1.00 0.00 WT2 H ATOM 28795 OH2 TIP3 1915 65.355 78.761 36.273 1.00 0.00 WT2 O ATOM 28796 H1 TIP3 1915 64.780 78.339 35.635 1.00 0.00 WT2 H ATOM 28797 H2 TIP3 1915 65.061 79.672 36.296 1.00 0.00 WT2 H ATOM 28798 OH2 TIP3 1917 25.836 2.807 -11.670 1.00 0.00 WT2 O ATOM 28799 H1 TIP3 1917 25.248 2.572 -12.387 1.00 0.00 WT2 H ATOM 28800 H2 TIP3 1917 25.566 2.246 -10.943 1.00 0.00 WT2 H ATOM 28801 OH2 TIP3 1918 43.658 2.581 -14.903 1.00 0.00 WT2 O ATOM 28802 H1 TIP3 1918 43.887 3.507 -14.982 1.00 0.00 WT2 H ATOM 28803 H2 TIP3 1918 43.670 2.253 -15.802 1.00 0.00 WT2 H ATOM 28804 OH2 TIP3 1919 87.878 52.272 30.907 1.00 0.00 WT2 O ATOM 28805 H1 TIP3 1919 88.767 52.596 31.046 1.00 0.00 WT2 H ATOM 28806 H2 TIP3 1919 87.695 51.734 31.679 1.00 0.00 WT2 H ATOM 28807 OH2 TIP3 1931 37.932 22.907 -16.538 1.00 0.00 WT2 O ATOM 28808 H1 TIP3 1931 38.496 23.671 -16.421 1.00 0.00 WT2 H ATOM 28809 H2 TIP3 1931 37.216 23.040 -15.917 1.00 0.00 WT2 H ATOM 28810 OH2 TIP3 1934 53.951 61.256 64.607 1.00 0.00 WT2 O ATOM 28811 H1 TIP3 1934 53.083 61.132 64.222 1.00 0.00 WT2 H ATOM 28812 H2 TIP3 1934 54.556 60.909 63.952 1.00 0.00 WT2 H ATOM 28813 OH2 TIP3 1935 31.442 57.691 50.622 1.00 0.00 WT2 O ATOM 28814 H1 TIP3 1935 32.396 57.735 50.550 1.00 0.00 WT2 H ATOM 28815 H2 TIP3 1935 31.248 58.086 51.472 1.00 0.00 WT2 H ATOM 28816 OH2 TIP3 1936 79.675 19.048 39.940 1.00 0.00 WT2 O ATOM 28817 H1 TIP3 1936 80.102 18.362 40.453 1.00 0.00 WT2 H ATOM 28818 H2 TIP3 1936 79.462 19.728 40.579 1.00 0.00 WT2 H ATOM 28819 OH2 TIP3 1937 36.759 21.139 -18.398 1.00 0.00 WT2 O ATOM 28820 H1 TIP3 1937 37.242 20.634 -19.052 1.00 0.00 WT2 H ATOM 28821 H2 TIP3 1937 37.375 21.246 -17.674 1.00 0.00 WT2 H ATOM 28822 OH2 TIP3 1938 20.464 85.159 59.250 1.00 0.00 WT2 O ATOM 28823 H1 TIP3 1938 19.768 85.167 59.907 1.00 0.00 WT2 H ATOM 28824 H2 TIP3 1938 21.077 85.834 59.542 1.00 0.00 WT2 H ATOM 28825 OH2 TIP3 1950 57.006 32.405 -2.079 1.00 0.00 WT2 O ATOM 28826 H1 TIP3 1950 57.188 32.446 -1.140 1.00 0.00 WT2 H ATOM 28827 H2 TIP3 1950 57.863 32.268 -2.483 1.00 0.00 WT2 H ATOM 28828 OH2 TIP3 1952 29.302 30.501 56.196 1.00 0.00 WT2 O ATOM 28829 H1 TIP3 1952 28.657 31.205 56.136 1.00 0.00 WT2 H ATOM 28830 H2 TIP3 1952 28.801 29.740 56.488 1.00 0.00 WT2 H ATOM 28831 OH2 TIP3 1953 89.718 22.370 58.556 1.00 0.00 WT2 O ATOM 28832 H1 TIP3 1953 89.584 22.190 57.626 1.00 0.00 WT2 H ATOM 28833 H2 TIP3 1953 90.533 21.917 58.774 1.00 0.00 WT2 H ATOM 28834 OH2 TIP3 1954 67.409 93.005 65.576 1.00 0.00 WT2 O ATOM 28835 H1 TIP3 1954 67.113 93.370 66.410 1.00 0.00 WT2 H ATOM 28836 H2 TIP3 1954 68.357 93.134 65.580 1.00 0.00 WT2 H ATOM 28837 OH2 TIP3 1955 36.633 44.638 18.647 1.00 0.00 WT2 O ATOM 28838 H1 TIP3 1955 37.468 44.736 19.105 1.00 0.00 WT2 H ATOM 28839 H2 TIP3 1955 36.065 44.194 19.277 1.00 0.00 WT2 H ATOM 28840 OH2 TIP3 1959 37.818 84.240 55.803 1.00 0.00 WT2 O ATOM 28841 H1 TIP3 1959 37.114 84.067 55.178 1.00 0.00 WT2 H ATOM 28842 H2 TIP3 1959 37.377 84.625 56.560 1.00 0.00 WT2 H ATOM 28843 OH2 TIP3 1976 90.446 79.254 21.847 1.00 0.00 WT2 O ATOM 28844 H1 TIP3 1976 89.994 78.420 21.721 1.00 0.00 WT2 H ATOM 28845 H2 TIP3 1976 89.760 79.915 21.751 1.00 0.00 WT2 H ATOM 28846 OH2 TIP3 1977 32.906 63.056 48.536 1.00 0.00 WT2 O ATOM 28847 H1 TIP3 1977 33.267 62.170 48.548 1.00 0.00 WT2 H ATOM 28848 H2 TIP3 1977 33.152 63.403 47.678 1.00 0.00 WT2 H ATOM 28849 OH2 TIP3 1978 44.651 50.817 -6.024 1.00 0.00 WT2 O ATOM 28850 H1 TIP3 1978 45.413 50.304 -5.756 1.00 0.00 WT2 H ATOM 28851 H2 TIP3 1978 44.997 51.694 -6.189 1.00 0.00 WT2 H ATOM 28852 OH2 TIP3 1979 87.009 12.510 57.117 1.00 0.00 WT2 O ATOM 28853 H1 TIP3 1979 86.641 13.199 56.565 1.00 0.00 WT2 H ATOM 28854 H2 TIP3 1979 87.831 12.877 57.443 1.00 0.00 WT2 H ATOM 28855 OH2 TIP3 1983 32.675 11.708 40.604 1.00 0.00 WT2 O ATOM 28856 H1 TIP3 1983 32.014 12.196 40.113 1.00 0.00 WT2 H ATOM 28857 H2 TIP3 1983 32.563 11.997 41.510 1.00 0.00 WT2 H ATOM 28858 OH2 TIP3 1993 67.488 81.386 23.143 1.00 0.00 WT2 O ATOM 28859 H1 TIP3 1993 67.791 81.848 22.361 1.00 0.00 WT2 H ATOM 28860 H2 TIP3 1993 67.331 80.490 22.847 1.00 0.00 WT2 H ATOM 28861 OH2 TIP3 1998 78.913 23.467 49.120 1.00 0.00 WT2 O ATOM 28862 H1 TIP3 1998 79.131 24.267 48.641 1.00 0.00 WT2 H ATOM 28863 H2 TIP3 1998 79.273 22.761 48.584 1.00 0.00 WT2 H ATOM 28864 OH2 TIP3 1999 41.658 57.998 -9.158 1.00 0.00 WT2 O ATOM 28865 H1 TIP3 1999 41.403 58.823 -8.745 1.00 0.00 WT2 H ATOM 28866 H2 TIP3 1999 42.585 57.898 -8.942 1.00 0.00 WT2 H ATOM 28867 OH2 TIP3 2000 38.920 34.346 51.312 1.00 0.00 WT2 O ATOM 28868 H1 TIP3 2000 39.360 33.497 51.273 1.00 0.00 WT2 H ATOM 28869 H2 TIP3 2000 39.270 34.831 50.564 1.00 0.00 WT2 H ATOM 28870 OH2 TIP3 2001 43.186 35.947 -8.773 1.00 0.00 WT2 O ATOM 28871 H1 TIP3 2001 42.458 36.378 -9.222 1.00 0.00 WT2 H ATOM 28872 H2 TIP3 2001 42.929 35.025 -8.731 1.00 0.00 WT2 H ATOM 28873 OH2 TIP3 2002 37.841 25.697 37.879 1.00 0.00 WT2 O ATOM 28874 H1 TIP3 2002 38.287 25.251 38.599 1.00 0.00 WT2 H ATOM 28875 H2 TIP3 2002 38.365 25.488 37.106 1.00 0.00 WT2 H ATOM 28876 OH2 TIP3 2014 52.359 6.717 32.310 1.00 0.00 WT2 O ATOM 28877 H1 TIP3 2014 52.602 6.894 33.219 1.00 0.00 WT2 H ATOM 28878 H2 TIP3 2014 51.662 7.345 32.121 1.00 0.00 WT2 H ATOM 28879 OH2 TIP3 2016 75.540 37.740 44.866 1.00 0.00 WT2 O ATOM 28880 H1 TIP3 2016 75.995 38.563 44.689 1.00 0.00 WT2 H ATOM 28881 H2 TIP3 2016 76.162 37.060 44.609 1.00 0.00 WT2 H ATOM 28882 OH2 TIP3 2018 32.086 73.087 44.771 1.00 0.00 WT2 O ATOM 28883 H1 TIP3 2018 32.882 73.222 44.255 1.00 0.00 WT2 H ATOM 28884 H2 TIP3 2018 32.284 72.330 45.323 1.00 0.00 WT2 H ATOM 28885 OH2 TIP3 2019 75.654 94.682 55.278 1.00 0.00 WT2 O ATOM 28886 H1 TIP3 2019 76.308 94.945 54.630 1.00 0.00 WT2 H ATOM 28887 H2 TIP3 2019 74.867 95.172 55.038 1.00 0.00 WT2 H ATOM 28888 OH2 TIP3 2021 57.539 34.440 10.302 1.00 0.00 WT2 O ATOM 28889 H1 TIP3 2021 57.758 35.324 10.596 1.00 0.00 WT2 H ATOM 28890 H2 TIP3 2021 57.099 34.040 11.052 1.00 0.00 WT2 H ATOM 28891 OH2 TIP3 2022 35.399 80.272 -9.777 1.00 0.00 WT2 O ATOM 28892 H1 TIP3 2022 35.370 81.227 -9.838 1.00 0.00 WT2 H ATOM 28893 H2 TIP3 2022 35.866 80.098 -8.960 1.00 0.00 WT2 H ATOM 28894 OH2 TIP3 2024 81.149 54.484 65.763 1.00 0.00 WT2 O ATOM 28895 H1 TIP3 2024 80.515 53.892 66.168 1.00 0.00 WT2 H ATOM 28896 H2 TIP3 2024 80.650 54.946 65.090 1.00 0.00 WT2 H ATOM 28897 OH2 TIP3 2034 43.863 51.309 43.670 1.00 0.00 WT2 O ATOM 28898 H1 TIP3 2034 44.251 51.514 44.521 1.00 0.00 WT2 H ATOM 28899 H2 TIP3 2034 44.526 51.575 43.033 1.00 0.00 WT2 H ATOM 28900 OH2 TIP3 2037 65.351 27.897 46.514 1.00 0.00 WT2 O ATOM 28901 H1 TIP3 2037 64.871 27.192 46.081 1.00 0.00 WT2 H ATOM 28902 H2 TIP3 2037 64.756 28.209 47.196 1.00 0.00 WT2 H ATOM 28903 OH2 TIP3 2038 88.623 48.346 59.649 1.00 0.00 WT2 O ATOM 28904 H1 TIP3 2038 88.411 47.790 58.900 1.00 0.00 WT2 H ATOM 28905 H2 TIP3 2038 87.898 48.968 59.699 1.00 0.00 WT2 H ATOM 28906 OH2 TIP3 2039 21.256 94.417 11.657 1.00 0.00 WT2 O ATOM 28907 H1 TIP3 2039 21.219 93.769 10.953 1.00 0.00 WT2 H ATOM 28908 H2 TIP3 2039 20.897 95.214 11.268 1.00 0.00 WT2 H ATOM 28909 OH2 TIP3 2040 40.490 16.745 32.683 1.00 0.00 WT2 O ATOM 28910 H1 TIP3 2040 41.304 16.281 32.877 1.00 0.00 WT2 H ATOM 28911 H2 TIP3 2040 40.693 17.666 32.846 1.00 0.00 WT2 H ATOM 28912 OH2 TIP3 2042 46.812 62.281 15.758 1.00 0.00 WT2 O ATOM 28913 H1 TIP3 2042 46.729 62.715 14.909 1.00 0.00 WT2 H ATOM 28914 H2 TIP3 2042 47.728 62.006 15.799 1.00 0.00 WT2 H ATOM 28915 OH2 TIP3 2043 56.923 59.442 36.441 1.00 0.00 WT2 O ATOM 28916 H1 TIP3 2043 56.446 60.053 37.004 1.00 0.00 WT2 H ATOM 28917 H2 TIP3 2043 56.455 59.469 35.607 1.00 0.00 WT2 H ATOM 28918 OH2 TIP3 2044 56.167 87.816 0.076 1.00 0.00 WT2 O ATOM 28919 H1 TIP3 2044 55.981 87.378 -0.755 1.00 0.00 WT2 H ATOM 28920 H2 TIP3 2044 55.329 87.819 0.538 1.00 0.00 WT2 H ATOM 28921 OH2 TIP3 2046 51.036 31.388 -10.214 1.00 0.00 WT2 O ATOM 28922 H1 TIP3 2046 51.753 31.482 -9.587 1.00 0.00 WT2 H ATOM 28923 H2 TIP3 2046 50.350 31.968 -9.883 1.00 0.00 WT2 H ATOM 28924 OH2 TIP3 2059 64.562 48.072 -10.546 1.00 0.00 WT2 O ATOM 28925 H1 TIP3 2059 64.153 48.138 -9.683 1.00 0.00 WT2 H ATOM 28926 H2 TIP3 2059 65.475 47.852 -10.364 1.00 0.00 WT2 H ATOM 28927 OH2 TIP3 2060 55.936 38.225 60.099 1.00 0.00 WT2 O ATOM 28928 H1 TIP3 2060 55.702 39.114 59.832 1.00 0.00 WT2 H ATOM 28929 H2 TIP3 2060 55.162 37.701 59.894 1.00 0.00 WT2 H ATOM 28930 OH2 TIP3 2061 30.499 43.857 4.787 1.00 0.00 WT2 O ATOM 28931 H1 TIP3 2061 31.093 44.268 5.415 1.00 0.00 WT2 H ATOM 28932 H2 TIP3 2061 29.753 43.571 5.315 1.00 0.00 WT2 H ATOM 28933 OH2 TIP3 2062 57.581 65.540 45.960 1.00 0.00 WT2 O ATOM 28934 H1 TIP3 2062 57.901 66.036 45.206 1.00 0.00 WT2 H ATOM 28935 H2 TIP3 2062 56.908 64.963 45.600 1.00 0.00 WT2 H ATOM 28936 OH2 TIP3 2063 38.815 43.683 58.431 1.00 0.00 WT2 O ATOM 28937 H1 TIP3 2063 39.341 43.086 58.963 1.00 0.00 WT2 H ATOM 28938 H2 TIP3 2063 38.083 43.148 58.125 1.00 0.00 WT2 H ATOM 28939 OH2 TIP3 2064 23.397 23.651 59.565 1.00 0.00 WT2 O ATOM 28940 H1 TIP3 2064 23.752 24.407 60.033 1.00 0.00 WT2 H ATOM 28941 H2 TIP3 2064 22.718 24.017 58.998 1.00 0.00 WT2 H ATOM 28942 OH2 TIP3 2066 51.609 80.854 30.581 1.00 0.00 WT2 O ATOM 28943 H1 TIP3 2066 50.754 80.615 30.939 1.00 0.00 WT2 H ATOM 28944 H2 TIP3 2066 51.726 80.270 29.832 1.00 0.00 WT2 H ATOM 28945 OH2 TIP3 2079 69.578 32.524 51.359 1.00 0.00 WT2 O ATOM 28946 H1 TIP3 2079 69.885 33.224 50.783 1.00 0.00 WT2 H ATOM 28947 H2 TIP3 2079 70.375 32.070 51.632 1.00 0.00 WT2 H ATOM 28948 OH2 TIP3 2081 58.759 48.068 58.011 1.00 0.00 WT2 O ATOM 28949 H1 TIP3 2081 59.299 48.295 57.254 1.00 0.00 WT2 H ATOM 28950 H2 TIP3 2081 59.166 48.531 58.743 1.00 0.00 WT2 H ATOM 28951 OH2 TIP3 2082 41.889 56.679 -12.848 1.00 0.00 WT2 O ATOM 28952 H1 TIP3 2082 42.831 56.826 -12.763 1.00 0.00 WT2 H ATOM 28953 H2 TIP3 2082 41.691 56.907 -13.756 1.00 0.00 WT2 H ATOM 28954 OH2 TIP3 2083 48.501 89.795 22.434 1.00 0.00 WT2 O ATOM 28955 H1 TIP3 2083 48.047 89.554 21.626 1.00 0.00 WT2 H ATOM 28956 H2 TIP3 2083 47.824 90.194 22.980 1.00 0.00 WT2 H ATOM 28957 OH2 TIP3 2084 27.089 69.257 49.723 1.00 0.00 WT2 O ATOM 28958 H1 TIP3 2084 27.526 68.841 48.980 1.00 0.00 WT2 H ATOM 28959 H2 TIP3 2084 27.549 70.089 49.836 1.00 0.00 WT2 H ATOM 28960 OH2 TIP3 2088 42.664 86.392 31.989 1.00 0.00 WT2 O ATOM 28961 H1 TIP3 2088 41.753 86.659 32.111 1.00 0.00 WT2 H ATOM 28962 H2 TIP3 2088 42.683 85.475 32.263 1.00 0.00 WT2 H ATOM 28963 OH2 TIP3 2101 23.003 6.229 49.970 1.00 0.00 WT2 O ATOM 28964 H1 TIP3 2101 23.875 6.109 49.594 1.00 0.00 WT2 H ATOM 28965 H2 TIP3 2101 22.701 7.064 49.614 1.00 0.00 WT2 H ATOM 28966 OH2 TIP3 2102 63.854 93.241 3.867 1.00 0.00 WT2 O ATOM 28967 H1 TIP3 2102 64.549 92.669 4.194 1.00 0.00 WT2 H ATOM 28968 H2 TIP3 2102 63.253 92.651 3.411 1.00 0.00 WT2 H ATOM 28969 OH2 TIP3 2103 86.500 79.970 64.585 1.00 0.00 WT2 O ATOM 28970 H1 TIP3 2103 85.815 80.553 64.912 1.00 0.00 WT2 H ATOM 28971 H2 TIP3 2103 86.040 79.360 64.008 1.00 0.00 WT2 H ATOM 28972 OH2 TIP3 2104 23.139 39.342 61.088 1.00 0.00 WT2 O ATOM 28973 H1 TIP3 2104 23.330 38.639 61.708 1.00 0.00 WT2 H ATOM 28974 H2 TIP3 2104 23.751 40.040 61.321 1.00 0.00 WT2 H ATOM 28975 OH2 TIP3 2105 81.687 4.324 59.628 1.00 0.00 WT2 O ATOM 28976 H1 TIP3 2105 82.242 4.943 59.154 1.00 0.00 WT2 H ATOM 28977 H2 TIP3 2105 80.843 4.366 59.178 1.00 0.00 WT2 H ATOM 28978 OH2 TIP3 2106 81.719 67.797 46.904 1.00 0.00 WT2 O ATOM 28979 H1 TIP3 2106 81.684 67.236 46.129 1.00 0.00 WT2 H ATOM 28980 H2 TIP3 2106 82.230 67.296 47.539 1.00 0.00 WT2 H ATOM 28981 OH2 TIP3 2108 35.655 37.797 30.120 1.00 0.00 WT2 O ATOM 28982 H1 TIP3 2108 35.311 38.687 30.052 1.00 0.00 WT2 H ATOM 28983 H2 TIP3 2108 35.118 37.285 29.514 1.00 0.00 WT2 H ATOM 28984 OH2 TIP3 2122 53.664 73.353 41.807 1.00 0.00 WT2 O ATOM 28985 H1 TIP3 2122 53.582 73.489 42.751 1.00 0.00 WT2 H ATOM 28986 H2 TIP3 2122 53.027 73.954 41.421 1.00 0.00 WT2 H ATOM 28987 OH2 TIP3 2123 31.977 84.313 53.289 1.00 0.00 WT2 O ATOM 28988 H1 TIP3 2123 31.087 84.645 53.412 1.00 0.00 WT2 H ATOM 28989 H2 TIP3 2123 32.537 84.969 53.704 1.00 0.00 WT2 H ATOM 28990 OH2 TIP3 2124 43.877 76.270 -13.770 1.00 0.00 WT2 O ATOM 28991 H1 TIP3 2124 43.957 75.628 -14.476 1.00 0.00 WT2 H ATOM 28992 H2 TIP3 2124 42.962 76.549 -13.802 1.00 0.00 WT2 H ATOM 28993 OH2 TIP3 2125 24.278 19.292 -4.198 1.00 0.00 WT2 O ATOM 28994 H1 TIP3 2125 24.615 19.029 -5.054 1.00 0.00 WT2 H ATOM 28995 H2 TIP3 2125 23.328 19.204 -4.277 1.00 0.00 WT2 H ATOM 28996 OH2 TIP3 2126 69.524 76.890 0.464 1.00 0.00 WT2 O ATOM 28997 H1 TIP3 2126 70.118 76.734 1.198 1.00 0.00 WT2 H ATOM 28998 H2 TIP3 2126 68.773 76.322 0.637 1.00 0.00 WT2 H ATOM 28999 OH2 TIP3 2128 55.141 43.147 38.328 1.00 0.00 WT2 O ATOM 29000 H1 TIP3 2128 56.028 43.502 38.269 1.00 0.00 WT2 H ATOM 29001 H2 TIP3 2128 54.809 43.182 37.431 1.00 0.00 WT2 H ATOM 29002 OH2 TIP3 2129 77.370 36.478 23.402 1.00 0.00 WT2 O ATOM 29003 H1 TIP3 2129 76.832 35.829 22.948 1.00 0.00 WT2 H ATOM 29004 H2 TIP3 2129 76.758 37.178 23.631 1.00 0.00 WT2 H ATOM 29005 OH2 TIP3 2131 42.105 46.829 44.843 1.00 0.00 WT2 O ATOM 29006 H1 TIP3 2131 41.568 46.729 45.629 1.00 0.00 WT2 H ATOM 29007 H2 TIP3 2131 41.643 47.482 44.318 1.00 0.00 WT2 H ATOM 29008 OH2 TIP3 2143 34.306 52.914 49.119 1.00 0.00 WT2 O ATOM 29009 H1 TIP3 2143 35.133 53.365 49.290 1.00 0.00 WT2 H ATOM 29010 H2 TIP3 2143 33.647 53.608 49.131 1.00 0.00 WT2 H ATOM 29011 OH2 TIP3 2146 48.168 56.604 45.376 1.00 0.00 WT2 O ATOM 29012 H1 TIP3 2146 48.780 57.044 45.965 1.00 0.00 WT2 H ATOM 29013 H2 TIP3 2146 47.447 57.224 45.271 1.00 0.00 WT2 H ATOM 29014 OH2 TIP3 2148 21.915 74.915 39.465 1.00 0.00 WT2 O ATOM 29015 H1 TIP3 2148 21.842 74.561 38.579 1.00 0.00 WT2 H ATOM 29016 H2 TIP3 2148 22.756 74.590 39.785 1.00 0.00 WT2 H ATOM 29017 OH2 TIP3 2150 35.054 46.727 -14.302 1.00 0.00 WT2 O ATOM 29018 H1 TIP3 2150 35.941 46.660 -13.948 1.00 0.00 WT2 H ATOM 29019 H2 TIP3 2150 34.592 47.294 -13.684 1.00 0.00 WT2 H ATOM 29020 OH2 TIP3 2152 28.195 87.274 16.418 1.00 0.00 WT2 O ATOM 29021 H1 TIP3 2152 28.553 87.028 17.271 1.00 0.00 WT2 H ATOM 29022 H2 TIP3 2152 27.870 86.453 16.048 1.00 0.00 WT2 H ATOM 29023 OH2 TIP3 2163 43.620 79.191 60.622 1.00 0.00 WT2 O ATOM 29024 H1 TIP3 2163 42.781 78.859 60.940 1.00 0.00 WT2 H ATOM 29025 H2 TIP3 2163 44.121 78.406 60.400 1.00 0.00 WT2 H ATOM 29026 OH2 TIP3 2164 39.976 45.940 63.740 1.00 0.00 WT2 O ATOM 29027 H1 TIP3 2164 40.374 46.344 62.969 1.00 0.00 WT2 H ATOM 29028 H2 TIP3 2164 40.291 45.036 63.728 1.00 0.00 WT2 H ATOM 29029 OH2 TIP3 2165 51.197 27.430 48.699 1.00 0.00 WT2 O ATOM 29030 H1 TIP3 2165 50.546 26.745 48.854 1.00 0.00 WT2 H ATOM 29031 H2 TIP3 2165 50.865 27.908 47.939 1.00 0.00 WT2 H ATOM 29032 OH2 TIP3 2166 29.909 44.402 -9.287 1.00 0.00 WT2 O ATOM 29033 H1 TIP3 2166 29.522 43.880 -8.585 1.00 0.00 WT2 H ATOM 29034 H2 TIP3 2166 29.212 44.483 -9.938 1.00 0.00 WT2 H ATOM 29035 OH2 TIP3 2167 33.717 21.379 66.693 1.00 0.00 WT2 O ATOM 29036 H1 TIP3 2167 32.776 21.435 66.856 1.00 0.00 WT2 H ATOM 29037 H2 TIP3 2167 33.904 20.440 66.683 1.00 0.00 WT2 H ATOM 29038 OH2 TIP3 2168 41.155 3.585 -18.045 1.00 0.00 WT2 O ATOM 29039 H1 TIP3 2168 40.640 3.259 -17.308 1.00 0.00 WT2 H ATOM 29040 H2 TIP3 2168 42.060 3.371 -17.820 1.00 0.00 WT2 H ATOM 29041 OH2 TIP3 2169 77.173 54.612 -16.588 1.00 0.00 WT2 O ATOM 29042 H1 TIP3 2169 76.308 54.235 -16.428 1.00 0.00 WT2 H ATOM 29043 H2 TIP3 2169 77.089 55.528 -16.324 1.00 0.00 WT2 H ATOM 29044 OH2 TIP3 2170 46.024 36.847 4.086 1.00 0.00 WT2 O ATOM 29045 H1 TIP3 2170 46.295 37.698 4.430 1.00 0.00 WT2 H ATOM 29046 H2 TIP3 2170 46.845 36.384 3.918 1.00 0.00 WT2 H ATOM 29047 OH2 TIP3 2183 39.729 53.147 -12.012 1.00 0.00 WT2 O ATOM 29048 H1 TIP3 2183 39.532 52.415 -11.427 1.00 0.00 WT2 H ATOM 29049 H2 TIP3 2183 40.260 53.742 -11.482 1.00 0.00 WT2 H ATOM 29050 OH2 TIP3 2185 29.311 50.597 15.840 1.00 0.00 WT2 O ATOM 29051 H1 TIP3 2185 30.130 50.332 16.257 1.00 0.00 WT2 H ATOM 29052 H2 TIP3 2185 29.125 49.900 15.211 1.00 0.00 WT2 H ATOM 29053 OH2 TIP3 2186 72.000 14.602 54.978 1.00 0.00 WT2 O ATOM 29054 H1 TIP3 2186 72.324 13.990 55.639 1.00 0.00 WT2 H ATOM 29055 H2 TIP3 2186 71.156 14.241 54.710 1.00 0.00 WT2 H ATOM 29056 OH2 TIP3 2187 79.557 80.053 10.476 1.00 0.00 WT2 O ATOM 29057 H1 TIP3 2187 78.610 80.154 10.564 1.00 0.00 WT2 H ATOM 29058 H2 TIP3 2187 79.713 79.119 10.620 1.00 0.00 WT2 H ATOM 29059 OH2 TIP3 2188 60.009 91.958 34.135 1.00 0.00 WT2 O ATOM 29060 H1 TIP3 2188 60.038 92.902 33.983 1.00 0.00 WT2 H ATOM 29061 H2 TIP3 2188 59.095 91.779 34.359 1.00 0.00 WT2 H ATOM 29062 OH2 TIP3 2189 82.775 58.362 -14.750 1.00 0.00 WT2 O ATOM 29063 H1 TIP3 2189 82.639 57.415 -14.719 1.00 0.00 WT2 H ATOM 29064 H2 TIP3 2189 82.131 58.718 -14.138 1.00 0.00 WT2 H ATOM 29065 OH2 TIP3 2190 44.819 51.845 33.355 1.00 0.00 WT2 O ATOM 29066 H1 TIP3 2190 45.286 51.200 32.825 1.00 0.00 WT2 H ATOM 29067 H2 TIP3 2190 44.256 52.305 32.733 1.00 0.00 WT2 H ATOM 29068 OH2 TIP3 2191 37.009 60.034 33.827 1.00 0.00 WT2 O ATOM 29069 H1 TIP3 2191 37.302 59.975 32.918 1.00 0.00 WT2 H ATOM 29070 H2 TIP3 2191 37.800 59.883 34.345 1.00 0.00 WT2 H ATOM 29071 OH2 TIP3 2193 49.853 28.523 -4.505 1.00 0.00 WT2 O ATOM 29072 H1 TIP3 2193 50.394 27.769 -4.271 1.00 0.00 WT2 H ATOM 29073 H2 TIP3 2193 49.236 28.611 -3.778 1.00 0.00 WT2 H ATOM 29074 OH2 TIP3 2205 81.651 46.334 27.565 1.00 0.00 WT2 O ATOM 29075 H1 TIP3 2205 80.975 46.967 27.322 1.00 0.00 WT2 H ATOM 29076 H2 TIP3 2205 82.476 46.774 27.363 1.00 0.00 WT2 H ATOM 29077 OH2 TIP3 2206 50.482 50.905 26.323 1.00 0.00 WT2 O ATOM 29078 H1 TIP3 2206 50.416 50.046 25.906 1.00 0.00 WT2 H ATOM 29079 H2 TIP3 2206 50.762 51.492 25.620 1.00 0.00 WT2 H ATOM 29080 OH2 TIP3 2207 39.580 20.982 57.554 1.00 0.00 WT2 O ATOM 29081 H1 TIP3 2207 40.235 20.737 56.901 1.00 0.00 WT2 H ATOM 29082 H2 TIP3 2207 40.062 21.510 58.191 1.00 0.00 WT2 H ATOM 29083 OH2 TIP3 2208 36.168 55.208 54.058 1.00 0.00 WT2 O ATOM 29084 H1 TIP3 2208 35.943 56.120 53.877 1.00 0.00 WT2 H ATOM 29085 H2 TIP3 2208 35.883 54.731 53.279 1.00 0.00 WT2 H ATOM 29086 OH2 TIP3 2209 44.695 15.588 40.302 1.00 0.00 WT2 O ATOM 29087 H1 TIP3 2209 44.159 15.800 39.539 1.00 0.00 WT2 H ATOM 29088 H2 TIP3 2209 44.068 15.287 40.960 1.00 0.00 WT2 H ATOM 29089 OH2 TIP3 2227 87.511 3.203 50.740 1.00 0.00 WT2 O ATOM 29090 H1 TIP3 2227 87.933 3.728 51.421 1.00 0.00 WT2 H ATOM 29091 H2 TIP3 2227 86.575 3.283 50.920 1.00 0.00 WT2 H ATOM 29092 OH2 TIP3 2228 73.335 66.109 45.100 1.00 0.00 WT2 O ATOM 29093 H1 TIP3 2228 73.687 65.317 44.694 1.00 0.00 WT2 H ATOM 29094 H2 TIP3 2228 72.436 66.165 44.776 1.00 0.00 WT2 H ATOM 29095 OH2 TIP3 2229 36.421 3.147 53.356 1.00 0.00 WT2 O ATOM 29096 H1 TIP3 2229 36.458 4.034 53.715 1.00 0.00 WT2 H ATOM 29097 H2 TIP3 2229 35.831 2.675 53.944 1.00 0.00 WT2 H ATOM 29098 OH2 TIP3 2230 58.108 47.304 -17.592 1.00 0.00 WT2 O ATOM 29099 H1 TIP3 2230 58.587 47.583 -18.372 1.00 0.00 WT2 H ATOM 29100 H2 TIP3 2230 58.266 47.998 -16.952 1.00 0.00 WT2 H ATOM 29101 OH2 TIP3 2231 28.914 78.805 17.000 1.00 0.00 WT2 O ATOM 29102 H1 TIP3 2231 28.084 78.355 16.841 1.00 0.00 WT2 H ATOM 29103 H2 TIP3 2231 28.670 79.591 17.488 1.00 0.00 WT2 H ATOM 29104 OH2 TIP3 2232 40.935 87.377 17.034 1.00 0.00 WT2 O ATOM 29105 H1 TIP3 2232 41.515 86.944 16.408 1.00 0.00 WT2 H ATOM 29106 H2 TIP3 2232 41.526 87.843 17.625 1.00 0.00 WT2 H ATOM 29107 OH2 TIP3 2233 48.203 43.437 -0.501 1.00 0.00 WT2 O ATOM 29108 H1 TIP3 2233 48.770 43.124 0.204 1.00 0.00 WT2 H ATOM 29109 H2 TIP3 2233 48.642 44.222 -0.830 1.00 0.00 WT2 H ATOM 29110 OH2 TIP3 2244 43.621 44.996 -12.255 1.00 0.00 WT2 O ATOM 29111 H1 TIP3 2244 42.825 45.186 -11.757 1.00 0.00 WT2 H ATOM 29112 H2 TIP3 2244 44.063 45.842 -12.331 1.00 0.00 WT2 H ATOM 29113 OH2 TIP3 2250 21.484 43.394 23.446 1.00 0.00 WT2 O ATOM 29114 H1 TIP3 2250 20.869 43.962 22.982 1.00 0.00 WT2 H ATOM 29115 H2 TIP3 2250 21.562 43.785 24.316 1.00 0.00 WT2 H ATOM 29116 OH2 TIP3 2251 59.684 8.558 56.010 1.00 0.00 WT2 O ATOM 29117 H1 TIP3 2251 59.683 7.868 55.346 1.00 0.00 WT2 H ATOM 29118 H2 TIP3 2251 60.027 8.133 56.796 1.00 0.00 WT2 H ATOM 29119 OH2 TIP3 2252 83.431 48.500 33.128 1.00 0.00 WT2 O ATOM 29120 H1 TIP3 2252 83.337 49.325 32.650 1.00 0.00 WT2 H ATOM 29121 H2 TIP3 2252 84.036 47.983 32.597 1.00 0.00 WT2 H ATOM 29122 OH2 TIP3 2253 39.642 16.639 42.750 1.00 0.00 WT2 O ATOM 29123 H1 TIP3 2253 40.198 16.390 42.011 1.00 0.00 WT2 H ATOM 29124 H2 TIP3 2253 38.854 17.001 42.345 1.00 0.00 WT2 H ATOM 29125 OH2 TIP3 2254 49.709 27.871 59.759 1.00 0.00 WT2 O ATOM 29126 H1 TIP3 2254 48.945 27.675 59.216 1.00 0.00 WT2 H ATOM 29127 H2 TIP3 2254 50.069 28.675 59.384 1.00 0.00 WT2 H ATOM 29128 OH2 TIP3 2255 58.388 62.855 54.060 1.00 0.00 WT2 O ATOM 29129 H1 TIP3 2255 58.967 62.094 54.113 1.00 0.00 WT2 H ATOM 29130 H2 TIP3 2255 58.191 62.941 53.127 1.00 0.00 WT2 H ATOM 29131 OH2 TIP3 2269 82.969 48.185 61.127 1.00 0.00 WT2 O ATOM 29132 H1 TIP3 2269 82.607 47.840 61.943 1.00 0.00 WT2 H ATOM 29133 H2 TIP3 2269 83.860 48.453 61.354 1.00 0.00 WT2 H ATOM 29134 OH2 TIP3 2270 61.976 48.381 40.612 1.00 0.00 WT2 O ATOM 29135 H1 TIP3 2270 62.023 48.926 39.826 1.00 0.00 WT2 H ATOM 29136 H2 TIP3 2270 62.153 47.494 40.299 1.00 0.00 WT2 H ATOM 29137 OH2 TIP3 2271 36.160 93.113 11.693 1.00 0.00 WT2 O ATOM 29138 H1 TIP3 2271 36.132 92.510 12.435 1.00 0.00 WT2 H ATOM 29139 H2 TIP3 2271 36.538 93.916 12.050 1.00 0.00 WT2 H ATOM 29140 OH2 TIP3 2272 82.061 46.916 46.822 1.00 0.00 WT2 O ATOM 29141 H1 TIP3 2272 82.564 46.344 46.243 1.00 0.00 WT2 H ATOM 29142 H2 TIP3 2272 81.258 46.427 47.004 1.00 0.00 WT2 H ATOM 29143 OH2 TIP3 2273 63.999 56.019 2.898 1.00 0.00 WT2 O ATOM 29144 H1 TIP3 2273 64.844 56.186 2.481 1.00 0.00 WT2 H ATOM 29145 H2 TIP3 2273 64.154 55.258 3.457 1.00 0.00 WT2 H ATOM 29146 OH2 TIP3 2274 42.070 67.848 62.080 1.00 0.00 WT2 O ATOM 29147 H1 TIP3 2274 41.599 67.706 61.259 1.00 0.00 WT2 H ATOM 29148 H2 TIP3 2274 41.383 67.904 62.744 1.00 0.00 WT2 H ATOM 29149 OH2 TIP3 2275 52.662 17.637 61.720 1.00 0.00 WT2 O ATOM 29150 H1 TIP3 2275 53.294 17.109 61.231 1.00 0.00 WT2 H ATOM 29151 H2 TIP3 2275 52.371 18.301 61.095 1.00 0.00 WT2 H ATOM 29152 OH2 TIP3 2276 67.634 14.365 -9.658 1.00 0.00 WT2 O ATOM 29153 H1 TIP3 2276 68.282 13.946 -9.092 1.00 0.00 WT2 H ATOM 29154 H2 TIP3 2276 66.952 14.667 -9.058 1.00 0.00 WT2 H ATOM 29155 OH2 TIP3 2277 82.817 18.931 8.115 1.00 0.00 WT2 O ATOM 29156 H1 TIP3 2277 82.706 19.871 7.976 1.00 0.00 WT2 H ATOM 29157 H2 TIP3 2277 82.115 18.693 8.721 1.00 0.00 WT2 H ATOM 29158 OH2 TIP3 2280 42.444 95.097 38.592 1.00 0.00 WT2 O ATOM 29159 H1 TIP3 2280 42.967 94.787 37.853 1.00 0.00 WT2 H ATOM 29160 H2 TIP3 2280 42.391 94.344 39.181 1.00 0.00 WT2 H ATOM 29161 OH2 TIP3 2288 68.784 90.610 16.399 1.00 0.00 WT2 O ATOM 29162 H1 TIP3 2288 69.690 90.776 16.138 1.00 0.00 WT2 H ATOM 29163 H2 TIP3 2288 68.851 89.957 17.096 1.00 0.00 WT2 H ATOM 29164 OH2 TIP3 2290 73.318 71.586 15.460 1.00 0.00 WT2 O ATOM 29165 H1 TIP3 2290 72.423 71.920 15.408 1.00 0.00 WT2 H ATOM 29166 H2 TIP3 2290 73.444 71.109 14.639 1.00 0.00 WT2 H ATOM 29167 OH2 TIP3 2292 31.809 8.752 61.432 1.00 0.00 WT2 O ATOM 29168 H1 TIP3 2292 32.064 9.422 60.798 1.00 0.00 WT2 H ATOM 29169 H2 TIP3 2292 31.050 8.324 61.036 1.00 0.00 WT2 H ATOM 29170 OH2 TIP3 2293 31.715 80.045 49.500 1.00 0.00 WT2 O ATOM 29171 H1 TIP3 2293 31.700 80.005 48.544 1.00 0.00 WT2 H ATOM 29172 H2 TIP3 2293 32.492 80.565 49.706 1.00 0.00 WT2 H ATOM 29173 OH2 TIP3 2294 29.084 4.224 40.614 1.00 0.00 WT2 O ATOM 29174 H1 TIP3 2294 28.553 5.018 40.670 1.00 0.00 WT2 H ATOM 29175 H2 TIP3 2294 29.413 4.092 41.503 1.00 0.00 WT2 H ATOM 29176 OH2 TIP3 2296 87.668 66.464 19.648 1.00 0.00 WT2 O ATOM 29177 H1 TIP3 2296 88.550 66.327 19.994 1.00 0.00 WT2 H ATOM 29178 H2 TIP3 2296 87.263 65.597 19.672 1.00 0.00 WT2 H ATOM 29179 OH2 TIP3 2309 88.962 52.644 22.903 1.00 0.00 WT2 O ATOM 29180 H1 TIP3 2309 88.958 53.600 22.929 1.00 0.00 WT2 H ATOM 29181 H2 TIP3 2309 88.563 52.379 23.732 1.00 0.00 WT2 H ATOM 29182 OH2 TIP3 2311 41.328 79.129 47.341 1.00 0.00 WT2 O ATOM 29183 H1 TIP3 2311 42.064 79.169 46.731 1.00 0.00 WT2 H ATOM 29184 H2 TIP3 2311 40.940 80.003 47.307 1.00 0.00 WT2 H ATOM 29185 OH2 TIP3 2312 88.258 14.549 66.118 1.00 0.00 WT2 O ATOM 29186 H1 TIP3 2312 87.841 13.692 66.205 1.00 0.00 WT2 H ATOM 29187 H2 TIP3 2312 88.848 14.605 66.869 1.00 0.00 WT2 H ATOM 29188 OH2 TIP3 2313 88.140 65.328 36.722 1.00 0.00 WT2 O ATOM 29189 H1 TIP3 2313 88.612 65.964 36.185 1.00 0.00 WT2 H ATOM 29190 H2 TIP3 2313 88.223 64.502 36.245 1.00 0.00 WT2 H ATOM 29191 OH2 TIP3 2314 21.504 18.593 11.126 1.00 0.00 WT2 O ATOM 29192 H1 TIP3 2314 22.140 18.654 10.414 1.00 0.00 WT2 H ATOM 29193 H2 TIP3 2314 20.900 17.904 10.850 1.00 0.00 WT2 H ATOM 29194 OH2 TIP3 2315 33.622 50.495 -18.670 1.00 0.00 WT2 O ATOM 29195 H1 TIP3 2315 32.725 50.635 -18.974 1.00 0.00 WT2 H ATOM 29196 H2 TIP3 2315 33.547 50.440 -17.718 1.00 0.00 WT2 H ATOM 29197 OH2 TIP3 2316 66.133 26.359 24.795 1.00 0.00 WT2 O ATOM 29198 H1 TIP3 2316 65.184 26.481 24.762 1.00 0.00 WT2 H ATOM 29199 H2 TIP3 2316 66.433 26.987 25.451 1.00 0.00 WT2 H ATOM 29200 OH2 TIP3 2317 69.552 75.166 8.965 1.00 0.00 WT2 O ATOM 29201 H1 TIP3 2317 68.714 74.727 9.110 1.00 0.00 WT2 H ATOM 29202 H2 TIP3 2317 69.872 75.368 9.844 1.00 0.00 WT2 H ATOM 29203 OH2 TIP3 2318 30.316 78.988 -10.857 1.00 0.00 WT2 O ATOM 29204 H1 TIP3 2318 29.983 79.560 -10.165 1.00 0.00 WT2 H ATOM 29205 H2 TIP3 2318 30.148 78.102 -10.536 1.00 0.00 WT2 H ATOM 29206 OH2 TIP3 2319 46.292 13.451 18.772 1.00 0.00 WT2 O ATOM 29207 H1 TIP3 2319 47.005 14.003 18.452 1.00 0.00 WT2 H ATOM 29208 H2 TIP3 2319 46.033 13.851 19.602 1.00 0.00 WT2 H ATOM 29209 OH2 TIP3 2329 78.047 46.786 4.554 1.00 0.00 WT2 O ATOM 29210 H1 TIP3 2329 78.243 46.961 5.474 1.00 0.00 WT2 H ATOM 29211 H2 TIP3 2329 78.743 47.231 4.071 1.00 0.00 WT2 H ATOM 29212 OH2 TIP3 2331 50.861 36.473 13.939 1.00 0.00 WT2 O ATOM 29213 H1 TIP3 2331 50.423 37.267 14.246 1.00 0.00 WT2 H ATOM 29214 H2 TIP3 2331 50.616 35.801 14.575 1.00 0.00 WT2 H ATOM 29215 OH2 TIP3 2332 44.425 85.071 -6.685 1.00 0.00 WT2 O ATOM 29216 H1 TIP3 2332 44.969 84.489 -6.156 1.00 0.00 WT2 H ATOM 29217 H2 TIP3 2332 43.537 84.729 -6.584 1.00 0.00 WT2 H ATOM 29218 OH2 TIP3 2333 60.634 41.232 23.601 1.00 0.00 WT2 O ATOM 29219 H1 TIP3 2333 60.777 42.078 23.178 1.00 0.00 WT2 H ATOM 29220 H2 TIP3 2333 59.706 41.235 23.837 1.00 0.00 WT2 H ATOM 29221 OH2 TIP3 2335 73.604 91.462 -2.857 1.00 0.00 WT2 O ATOM 29222 H1 TIP3 2335 73.974 92.330 -2.694 1.00 0.00 WT2 H ATOM 29223 H2 TIP3 2335 72.790 91.633 -3.330 1.00 0.00 WT2 H ATOM 29224 OH2 TIP3 2336 31.307 65.013 27.775 1.00 0.00 WT2 O ATOM 29225 H1 TIP3 2336 32.029 64.952 28.400 1.00 0.00 WT2 H ATOM 29226 H2 TIP3 2336 31.561 64.430 27.059 1.00 0.00 WT2 H ATOM 29227 OH2 TIP3 2337 53.181 37.404 60.059 1.00 0.00 WT2 O ATOM 29228 H1 TIP3 2337 52.859 36.541 60.318 1.00 0.00 WT2 H ATOM 29229 H2 TIP3 2337 52.557 38.019 60.445 1.00 0.00 WT2 H ATOM 29230 OH2 TIP3 2338 20.747 33.998 20.876 1.00 0.00 WT2 O ATOM 29231 H1 TIP3 2338 21.213 34.755 20.522 1.00 0.00 WT2 H ATOM 29232 H2 TIP3 2338 21.280 33.246 20.619 1.00 0.00 WT2 H ATOM 29233 OH2 TIP3 2339 43.725 6.471 49.500 1.00 0.00 WT2 O ATOM 29234 H1 TIP3 2339 43.793 7.153 48.833 1.00 0.00 WT2 H ATOM 29235 H2 TIP3 2339 43.187 5.791 49.095 1.00 0.00 WT2 H ATOM 29236 OH2 TIP3 2351 34.933 20.591 38.960 1.00 0.00 WT2 O ATOM 29237 H1 TIP3 2351 35.352 20.565 38.099 1.00 0.00 WT2 H ATOM 29238 H2 TIP3 2351 33.996 20.534 38.773 1.00 0.00 WT2 H ATOM 29239 OH2 TIP3 2352 61.598 82.286 -19.209 1.00 0.00 WT2 O ATOM 29240 H1 TIP3 2352 61.537 83.233 -19.335 1.00 0.00 WT2 H ATOM 29241 H2 TIP3 2352 62.462 82.150 -18.820 1.00 0.00 WT2 H ATOM 29242 OH2 TIP3 2354 43.684 25.064 1.303 1.00 0.00 WT2 O ATOM 29243 H1 TIP3 2354 43.256 25.860 0.988 1.00 0.00 WT2 H ATOM 29244 H2 TIP3 2354 44.440 25.378 1.798 1.00 0.00 WT2 H ATOM 29245 OH2 TIP3 2355 41.018 38.577 2.653 1.00 0.00 WT2 O ATOM 29246 H1 TIP3 2355 41.682 38.660 3.338 1.00 0.00 WT2 H ATOM 29247 H2 TIP3 2355 40.246 39.015 3.012 1.00 0.00 WT2 H ATOM 29248 OH2 TIP3 2357 89.868 86.746 -11.637 1.00 0.00 WT2 O ATOM 29249 H1 TIP3 2357 89.582 86.567 -12.533 1.00 0.00 WT2 H ATOM 29250 H2 TIP3 2357 90.406 85.991 -11.401 1.00 0.00 WT2 H ATOM 29251 OH2 TIP3 2358 33.687 2.516 52.610 1.00 0.00 WT2 O ATOM 29252 H1 TIP3 2358 33.755 1.568 52.719 1.00 0.00 WT2 H ATOM 29253 H2 TIP3 2358 34.594 2.816 52.545 1.00 0.00 WT2 H ATOM 29254 OH2 TIP3 2359 70.451 38.127 64.267 1.00 0.00 WT2 O ATOM 29255 H1 TIP3 2359 70.306 39.072 64.216 1.00 0.00 WT2 H ATOM 29256 H2 TIP3 2359 70.004 37.859 65.070 1.00 0.00 WT2 H ATOM 29257 OH2 TIP3 2376 31.551 44.303 48.913 1.00 0.00 WT2 O ATOM 29258 H1 TIP3 2376 31.367 44.968 49.577 1.00 0.00 WT2 H ATOM 29259 H2 TIP3 2376 31.414 43.470 49.364 1.00 0.00 WT2 H ATOM 29260 OH2 TIP3 2377 68.607 5.330 42.160 1.00 0.00 WT2 O ATOM 29261 H1 TIP3 2377 68.013 4.580 42.130 1.00 0.00 WT2 H ATOM 29262 H2 TIP3 2377 68.056 6.082 41.941 1.00 0.00 WT2 H ATOM 29263 OH2 TIP3 2378 52.477 95.891 62.165 1.00 0.00 WT2 O ATOM 29264 H1 TIP3 2378 52.324 96.808 62.394 1.00 0.00 WT2 H ATOM 29265 H2 TIP3 2378 52.367 95.860 61.215 1.00 0.00 WT2 H ATOM 29266 OH2 TIP3 2380 59.335 5.192 40.827 1.00 0.00 WT2 O ATOM 29267 H1 TIP3 2380 59.892 5.713 41.406 1.00 0.00 WT2 H ATOM 29268 H2 TIP3 2380 58.463 5.572 40.928 1.00 0.00 WT2 H ATOM 29269 OH2 TIP3 2395 42.767 41.187 45.405 1.00 0.00 WT2 O ATOM 29270 H1 TIP3 2395 41.870 41.027 45.698 1.00 0.00 WT2 H ATOM 29271 H2 TIP3 2395 42.710 41.986 44.880 1.00 0.00 WT2 H ATOM 29272 OH2 TIP3 2397 27.836 47.663 13.910 1.00 0.00 WT2 O ATOM 29273 H1 TIP3 2397 28.757 47.415 13.986 1.00 0.00 WT2 H ATOM 29274 H2 TIP3 2397 27.824 48.342 13.235 1.00 0.00 WT2 H ATOM 29275 OH2 TIP3 2398 77.020 96.216 6.362 1.00 0.00 WT2 O ATOM 29276 H1 TIP3 2398 77.789 96.360 6.913 1.00 0.00 WT2 H ATOM 29277 H2 TIP3 2398 76.296 96.605 6.852 1.00 0.00 WT2 H ATOM 29278 OH2 TIP3 2399 55.992 18.542 -10.744 1.00 0.00 WT2 O ATOM 29279 H1 TIP3 2399 55.753 18.165 -9.897 1.00 0.00 WT2 H ATOM 29280 H2 TIP3 2399 56.061 19.482 -10.577 1.00 0.00 WT2 H ATOM 29281 OH2 TIP3 2400 29.864 87.919 57.892 1.00 0.00 WT2 O ATOM 29282 H1 TIP3 2400 30.488 87.876 57.167 1.00 0.00 WT2 H ATOM 29283 H2 TIP3 2400 29.358 88.714 57.727 1.00 0.00 WT2 H ATOM 29284 OH2 TIP3 2416 39.250 65.253 7.929 1.00 0.00 WT2 O ATOM 29285 H1 TIP3 2416 39.566 64.675 7.235 1.00 0.00 WT2 H ATOM 29286 H2 TIP3 2416 39.921 65.199 8.610 1.00 0.00 WT2 H ATOM 29287 OH2 TIP3 2417 22.929 29.282 22.349 1.00 0.00 WT2 O ATOM 29288 H1 TIP3 2417 23.665 29.567 22.891 1.00 0.00 WT2 H ATOM 29289 H2 TIP3 2417 23.310 29.137 21.483 1.00 0.00 WT2 H ATOM 29290 OH2 TIP3 2418 87.096 43.578 -6.960 1.00 0.00 WT2 O ATOM 29291 H1 TIP3 2418 86.144 43.607 -6.863 1.00 0.00 WT2 H ATOM 29292 H2 TIP3 2418 87.430 44.039 -6.191 1.00 0.00 WT2 H ATOM 29293 OH2 TIP3 2419 60.477 86.194 40.182 1.00 0.00 WT2 O ATOM 29294 H1 TIP3 2419 61.128 85.864 39.563 1.00 0.00 WT2 H ATOM 29295 H2 TIP3 2419 60.867 86.045 41.043 1.00 0.00 WT2 H ATOM 29296 OH2 TIP3 2421 37.631 43.209 -19.173 1.00 0.00 WT2 O ATOM 29297 H1 TIP3 2421 38.113 43.905 -18.726 1.00 0.00 WT2 H ATOM 29298 H2 TIP3 2421 38.018 43.173 -20.048 1.00 0.00 WT2 H ATOM 29299 OH2 TIP3 2423 52.002 12.268 6.648 1.00 0.00 WT2 O ATOM 29300 H1 TIP3 2423 52.282 13.183 6.653 1.00 0.00 WT2 H ATOM 29301 H2 TIP3 2423 51.249 12.250 6.058 1.00 0.00 WT2 H ATOM 29302 OH2 TIP3 2436 57.477 72.599 58.470 1.00 0.00 WT2 O ATOM 29303 H1 TIP3 2436 58.012 72.578 59.263 1.00 0.00 WT2 H ATOM 29304 H2 TIP3 2436 56.815 73.268 58.643 1.00 0.00 WT2 H ATOM 29305 OH2 TIP3 2438 88.138 43.913 -18.450 1.00 0.00 WT2 O ATOM 29306 H1 TIP3 2438 88.293 42.986 -18.264 1.00 0.00 WT2 H ATOM 29307 H2 TIP3 2438 88.666 44.379 -17.801 1.00 0.00 WT2 H ATOM 29308 OH2 TIP3 2440 86.788 21.763 46.938 1.00 0.00 WT2 O ATOM 29309 H1 TIP3 2440 86.119 22.271 47.397 1.00 0.00 WT2 H ATOM 29310 H2 TIP3 2440 86.575 21.867 46.011 1.00 0.00 WT2 H ATOM 29311 OH2 TIP3 2441 48.541 9.781 33.945 1.00 0.00 WT2 O ATOM 29312 H1 TIP3 2441 49.318 10.237 34.269 1.00 0.00 WT2 H ATOM 29313 H2 TIP3 2441 48.291 9.195 34.659 1.00 0.00 WT2 H ATOM 29314 OH2 TIP3 2442 68.282 24.933 55.834 1.00 0.00 WT2 O ATOM 29315 H1 TIP3 2442 67.526 24.864 55.251 1.00 0.00 WT2 H ATOM 29316 H2 TIP3 2442 69.040 24.895 55.250 1.00 0.00 WT2 H ATOM 29317 OH2 TIP3 2447 35.569 21.054 16.134 1.00 0.00 WT2 O ATOM 29318 H1 TIP3 2447 36.394 21.422 15.817 1.00 0.00 WT2 H ATOM 29319 H2 TIP3 2447 35.005 21.028 15.361 1.00 0.00 WT2 H ATOM 29320 OH2 TIP3 2458 69.076 49.584 58.077 1.00 0.00 WT2 O ATOM 29321 H1 TIP3 2458 68.660 50.326 57.640 1.00 0.00 WT2 H ATOM 29322 H2 TIP3 2458 69.689 49.236 57.430 1.00 0.00 WT2 H ATOM 29323 OH2 TIP3 2459 81.986 24.573 62.776 1.00 0.00 WT2 O ATOM 29324 H1 TIP3 2459 81.717 25.490 62.726 1.00 0.00 WT2 H ATOM 29325 H2 TIP3 2459 82.881 24.567 62.437 1.00 0.00 WT2 H ATOM 29326 OH2 TIP3 2460 61.554 41.341 66.167 1.00 0.00 WT2 O ATOM 29327 H1 TIP3 2460 61.074 42.040 65.722 1.00 0.00 WT2 H ATOM 29328 H2 TIP3 2460 61.868 41.743 66.977 1.00 0.00 WT2 H ATOM 29329 OH2 TIP3 2461 78.329 73.991 11.384 1.00 0.00 WT2 O ATOM 29330 H1 TIP3 2461 77.478 73.671 11.082 1.00 0.00 WT2 H ATOM 29331 H2 TIP3 2461 78.148 74.865 11.728 1.00 0.00 WT2 H ATOM 29332 OH2 TIP3 2463 63.347 71.929 -17.829 1.00 0.00 WT2 O ATOM 29333 H1 TIP3 2463 64.198 71.849 -18.260 1.00 0.00 WT2 H ATOM 29334 H2 TIP3 2463 63.520 71.713 -16.913 1.00 0.00 WT2 H ATOM 29335 OH2 TIP3 2465 73.725 26.028 -18.092 1.00 0.00 WT2 O ATOM 29336 H1 TIP3 2465 74.193 25.330 -17.633 1.00 0.00 WT2 H ATOM 29337 H2 TIP3 2465 74.373 26.395 -18.693 1.00 0.00 WT2 H ATOM 29338 OH2 TIP3 2477 61.330 62.763 32.955 1.00 0.00 WT2 O ATOM 29339 H1 TIP3 2477 61.260 61.916 32.515 1.00 0.00 WT2 H ATOM 29340 H2 TIP3 2477 60.497 63.198 32.771 1.00 0.00 WT2 H ATOM 29341 OH2 TIP3 2480 77.932 71.318 66.439 1.00 0.00 WT2 O ATOM 29342 H1 TIP3 2480 77.043 71.647 66.300 1.00 0.00 WT2 H ATOM 29343 H2 TIP3 2480 77.872 70.798 67.241 1.00 0.00 WT2 H ATOM 29344 OH2 TIP3 2482 46.179 35.217 39.099 1.00 0.00 WT2 O ATOM 29345 H1 TIP3 2482 45.426 35.241 39.690 1.00 0.00 WT2 H ATOM 29346 H2 TIP3 2482 46.398 36.136 38.952 1.00 0.00 WT2 H ATOM 29347 OH2 TIP3 2483 54.625 45.130 64.612 1.00 0.00 WT2 O ATOM 29348 H1 TIP3 2483 54.059 44.358 64.639 1.00 0.00 WT2 H ATOM 29349 H2 TIP3 2483 54.654 45.437 65.519 1.00 0.00 WT2 H ATOM 29350 OH2 TIP3 2484 30.374 46.840 62.677 1.00 0.00 WT2 O ATOM 29351 H1 TIP3 2484 30.250 47.215 63.549 1.00 0.00 WT2 H ATOM 29352 H2 TIP3 2484 30.948 47.460 62.228 1.00 0.00 WT2 H ATOM 29353 OH2 TIP3 2499 87.288 67.613 59.568 1.00 0.00 WT2 O ATOM 29354 H1 TIP3 2499 87.449 68.158 60.338 1.00 0.00 WT2 H ATOM 29355 H2 TIP3 2499 86.497 67.981 59.174 1.00 0.00 WT2 H ATOM 29356 OH2 TIP3 2500 36.160 42.475 6.387 1.00 0.00 WT2 O ATOM 29357 H1 TIP3 2500 36.271 42.216 7.302 1.00 0.00 WT2 H ATOM 29358 H2 TIP3 2500 36.277 43.425 6.391 1.00 0.00 WT2 H ATOM 29359 OH2 TIP3 2503 22.307 19.421 48.571 1.00 0.00 WT2 O ATOM 29360 H1 TIP3 2503 23.064 19.739 48.078 1.00 0.00 WT2 H ATOM 29361 H2 TIP3 2503 21.579 19.965 48.270 1.00 0.00 WT2 H ATOM 29362 OH2 TIP3 2508 66.162 95.824 37.252 1.00 0.00 WT2 O ATOM 29363 H1 TIP3 2508 66.093 96.398 38.015 1.00 0.00 WT2 H ATOM 29364 H2 TIP3 2508 65.874 96.366 36.517 1.00 0.00 WT2 H ATOM 29365 OH2 TIP3 2519 40.660 6.407 -12.383 1.00 0.00 WT2 O ATOM 29366 H1 TIP3 2519 40.023 5.908 -11.872 1.00 0.00 WT2 H ATOM 29367 H2 TIP3 2519 41.156 6.901 -11.730 1.00 0.00 WT2 H ATOM 29368 OH2 TIP3 2521 51.490 80.283 -15.997 1.00 0.00 WT2 O ATOM 29369 H1 TIP3 2521 51.108 79.424 -16.177 1.00 0.00 WT2 H ATOM 29370 H2 TIP3 2521 50.755 80.892 -16.062 1.00 0.00 WT2 H ATOM 29371 OH2 TIP3 2522 79.302 56.702 46.502 1.00 0.00 WT2 O ATOM 29372 H1 TIP3 2522 79.246 56.664 45.547 1.00 0.00 WT2 H ATOM 29373 H2 TIP3 2522 78.551 56.192 46.807 1.00 0.00 WT2 H ATOM 29374 OH2 TIP3 2523 31.807 94.668 40.791 1.00 0.00 WT2 O ATOM 29375 H1 TIP3 2523 32.119 95.205 41.519 1.00 0.00 WT2 H ATOM 29376 H2 TIP3 2523 31.865 93.769 41.114 1.00 0.00 WT2 H ATOM 29377 OH2 TIP3 2525 38.880 14.258 -19.106 1.00 0.00 WT2 O ATOM 29378 H1 TIP3 2525 39.293 15.027 -19.499 1.00 0.00 WT2 H ATOM 29379 H2 TIP3 2525 37.982 14.272 -19.438 1.00 0.00 WT2 H ATOM 29380 OH2 TIP3 2526 27.298 77.170 27.475 1.00 0.00 WT2 O ATOM 29381 H1 TIP3 2526 27.551 76.663 26.704 1.00 0.00 WT2 H ATOM 29382 H2 TIP3 2526 26.357 77.018 27.565 1.00 0.00 WT2 H ATOM 29383 OH2 TIP3 2527 26.610 28.665 46.577 1.00 0.00 WT2 O ATOM 29384 H1 TIP3 2527 26.356 27.752 46.705 1.00 0.00 WT2 H ATOM 29385 H2 TIP3 2527 26.580 28.792 45.628 1.00 0.00 WT2 H ATOM 29386 OH2 TIP3 2528 32.123 50.882 5.398 1.00 0.00 WT2 O ATOM 29387 H1 TIP3 2528 32.997 50.574 5.639 1.00 0.00 WT2 H ATOM 29388 H2 TIP3 2528 31.571 50.102 5.449 1.00 0.00 WT2 H ATOM 29389 OH2 TIP3 2529 37.922 5.016 36.705 1.00 0.00 WT2 O ATOM 29390 H1 TIP3 2529 37.650 4.298 37.277 1.00 0.00 WT2 H ATOM 29391 H2 TIP3 2529 37.251 5.688 36.829 1.00 0.00 WT2 H ATOM 29392 OH2 TIP3 2539 57.195 72.898 -19.006 1.00 0.00 WT2 O ATOM 29393 H1 TIP3 2539 57.403 72.580 -18.128 1.00 0.00 WT2 H ATOM 29394 H2 TIP3 2539 56.661 73.679 -18.858 1.00 0.00 WT2 H ATOM 29395 OH2 TIP3 2540 76.927 67.963 43.692 1.00 0.00 WT2 O ATOM 29396 H1 TIP3 2540 77.786 67.916 43.273 1.00 0.00 WT2 H ATOM 29397 H2 TIP3 2540 76.303 67.922 42.967 1.00 0.00 WT2 H ATOM 29398 OH2 TIP3 2541 47.035 55.413 -17.902 1.00 0.00 WT2 O ATOM 29399 H1 TIP3 2541 47.668 54.827 -17.488 1.00 0.00 WT2 H ATOM 29400 H2 TIP3 2541 46.586 55.838 -17.171 1.00 0.00 WT2 H ATOM 29401 OH2 TIP3 2544 73.652 56.503 53.569 1.00 0.00 WT2 O ATOM 29402 H1 TIP3 2544 74.102 56.141 52.806 1.00 0.00 WT2 H ATOM 29403 H2 TIP3 2544 72.723 56.464 53.341 1.00 0.00 WT2 H ATOM 29404 OH2 TIP3 2545 51.666 81.535 -1.293 1.00 0.00 WT2 O ATOM 29405 H1 TIP3 2545 50.900 81.132 -1.701 1.00 0.00 WT2 H ATOM 29406 H2 TIP3 2545 52.283 80.813 -1.175 1.00 0.00 WT2 H ATOM 29407 OH2 TIP3 2547 87.786 55.902 54.775 1.00 0.00 WT2 O ATOM 29408 H1 TIP3 2547 87.440 56.371 55.535 1.00 0.00 WT2 H ATOM 29409 H2 TIP3 2547 88.565 56.396 54.522 1.00 0.00 WT2 H ATOM 29410 OH2 TIP3 2548 81.315 91.329 64.478 1.00 0.00 WT2 O ATOM 29411 H1 TIP3 2548 80.827 90.883 63.785 1.00 0.00 WT2 H ATOM 29412 H2 TIP3 2548 82.177 90.911 64.471 1.00 0.00 WT2 H ATOM 29413 OH2 TIP3 2562 77.975 32.082 -4.668 1.00 0.00 WT2 O ATOM 29414 H1 TIP3 2562 78.828 32.401 -4.375 1.00 0.00 WT2 H ATOM 29415 H2 TIP3 2562 77.379 32.299 -3.951 1.00 0.00 WT2 H ATOM 29416 OH2 TIP3 2563 39.506 54.937 10.154 1.00 0.00 WT2 O ATOM 29417 H1 TIP3 2563 39.999 55.511 10.741 1.00 0.00 WT2 H ATOM 29418 H2 TIP3 2563 38.602 54.995 10.465 1.00 0.00 WT2 H ATOM 29419 OH2 TIP3 2564 31.499 45.257 -15.210 1.00 0.00 WT2 O ATOM 29420 H1 TIP3 2564 30.680 45.729 -15.057 1.00 0.00 WT2 H ATOM 29421 H2 TIP3 2564 32.165 45.943 -15.264 1.00 0.00 WT2 H ATOM 29422 OH2 TIP3 2565 42.140 36.173 1.470 1.00 0.00 WT2 O ATOM 29423 H1 TIP3 2565 41.893 36.954 1.965 1.00 0.00 WT2 H ATOM 29424 H2 TIP3 2565 42.868 35.795 1.963 1.00 0.00 WT2 H ATOM 29425 OH2 TIP3 2566 72.791 92.122 36.792 1.00 0.00 WT2 O ATOM 29426 H1 TIP3 2566 73.655 92.477 36.582 1.00 0.00 WT2 H ATOM 29427 H2 TIP3 2566 72.970 91.248 37.140 1.00 0.00 WT2 H ATOM 29428 OH2 TIP3 2567 52.836 81.632 49.924 1.00 0.00 WT2 O ATOM 29429 H1 TIP3 2567 52.092 82.204 49.739 1.00 0.00 WT2 H ATOM 29430 H2 TIP3 2567 53.280 81.535 49.081 1.00 0.00 WT2 H ATOM 29431 OH2 TIP3 2570 42.000 42.632 30.129 1.00 0.00 WT2 O ATOM 29432 H1 TIP3 2570 42.743 42.179 29.730 1.00 0.00 WT2 H ATOM 29433 H2 TIP3 2570 41.926 43.450 29.638 1.00 0.00 WT2 H ATOM 29434 OH2 TIP3 2573 26.959 25.977 60.068 1.00 0.00 WT2 O ATOM 29435 H1 TIP3 2573 27.588 26.697 60.112 1.00 0.00 WT2 H ATOM 29436 H2 TIP3 2573 27.462 25.240 59.720 1.00 0.00 WT2 H ATOM 29437 OH2 TIP3 2580 30.008 58.266 45.304 1.00 0.00 WT2 O ATOM 29438 H1 TIP3 2580 30.868 58.235 45.722 1.00 0.00 WT2 H ATOM 29439 H2 TIP3 2580 29.510 57.566 45.727 1.00 0.00 WT2 H ATOM 29440 OH2 TIP3 2582 79.587 14.835 53.973 1.00 0.00 WT2 O ATOM 29441 H1 TIP3 2582 78.783 14.552 54.408 1.00 0.00 WT2 H ATOM 29442 H2 TIP3 2582 79.289 15.399 53.259 1.00 0.00 WT2 H ATOM 29443 OH2 TIP3 2584 31.858 95.662 52.014 1.00 0.00 WT2 O ATOM 29444 H1 TIP3 2584 32.762 95.886 52.236 1.00 0.00 WT2 H ATOM 29445 H2 TIP3 2584 31.384 96.491 52.071 1.00 0.00 WT2 H ATOM 29446 OH2 TIP3 2588 74.238 63.899 43.619 1.00 0.00 WT2 O ATOM 29447 H1 TIP3 2588 73.630 63.919 42.880 1.00 0.00 WT2 H ATOM 29448 H2 TIP3 2588 74.199 62.997 43.937 1.00 0.00 WT2 H ATOM 29449 OH2 TIP3 2589 82.676 55.393 -17.799 1.00 0.00 WT2 O ATOM 29450 H1 TIP3 2589 83.320 55.614 -17.126 1.00 0.00 WT2 H ATOM 29451 H2 TIP3 2589 82.420 54.493 -17.599 1.00 0.00 WT2 H ATOM 29452 OH2 TIP3 2606 46.647 80.249 24.807 1.00 0.00 WT2 O ATOM 29453 H1 TIP3 2606 47.114 79.414 24.784 1.00 0.00 WT2 H ATOM 29454 H2 TIP3 2606 46.026 80.157 25.529 1.00 0.00 WT2 H ATOM 29455 OH2 TIP3 2607 51.450 83.683 7.896 1.00 0.00 WT2 O ATOM 29456 H1 TIP3 2607 51.386 83.201 8.721 1.00 0.00 WT2 H ATOM 29457 H2 TIP3 2607 51.556 83.005 7.229 1.00 0.00 WT2 H ATOM 29458 OH2 TIP3 2608 54.850 77.016 5.916 1.00 0.00 WT2 O ATOM 29459 H1 TIP3 2608 55.462 76.687 6.575 1.00 0.00 WT2 H ATOM 29460 H2 TIP3 2608 55.157 76.637 5.092 1.00 0.00 WT2 H ATOM 29461 OH2 TIP3 2610 88.011 8.650 58.484 1.00 0.00 WT2 O ATOM 29462 H1 TIP3 2610 88.360 9.405 58.957 1.00 0.00 WT2 H ATOM 29463 H2 TIP3 2610 87.296 9.007 57.957 1.00 0.00 WT2 H ATOM 29464 OH2 TIP3 2628 75.494 89.359 -12.159 1.00 0.00 WT2 O ATOM 29465 H1 TIP3 2628 75.732 90.272 -11.995 1.00 0.00 WT2 H ATOM 29466 H2 TIP3 2628 76.057 89.091 -12.886 1.00 0.00 WT2 H ATOM 29467 OH2 TIP3 2631 28.250 29.605 32.474 1.00 0.00 WT2 O ATOM 29468 H1 TIP3 2631 27.404 29.351 32.104 1.00 0.00 WT2 H ATOM 29469 H2 TIP3 2631 28.036 30.276 33.123 1.00 0.00 WT2 H ATOM 29470 OH2 TIP3 2632 81.399 22.983 4.680 1.00 0.00 WT2 O ATOM 29471 H1 TIP3 2632 82.257 23.115 5.083 1.00 0.00 WT2 H ATOM 29472 H2 TIP3 2632 80.944 23.815 4.808 1.00 0.00 WT2 H ATOM 29473 OH2 TIP3 2634 24.017 35.613 54.218 1.00 0.00 WT2 O ATOM 29474 H1 TIP3 2634 23.547 35.042 53.610 1.00 0.00 WT2 H ATOM 29475 H2 TIP3 2634 24.497 36.219 53.654 1.00 0.00 WT2 H ATOM 29476 OH2 TIP3 2635 40.079 12.942 14.231 1.00 0.00 WT2 O ATOM 29477 H1 TIP3 2635 40.732 13.565 14.550 1.00 0.00 WT2 H ATOM 29478 H2 TIP3 2635 40.222 12.908 13.285 1.00 0.00 WT2 H ATOM 29479 OH2 TIP3 2643 47.512 94.013 -12.621 1.00 0.00 WT2 O ATOM 29480 H1 TIP3 2643 47.013 93.866 -13.424 1.00 0.00 WT2 H ATOM 29481 H2 TIP3 2643 48.204 93.352 -12.643 1.00 0.00 WT2 H ATOM 29482 OH2 TIP3 2648 36.099 66.904 31.526 1.00 0.00 WT2 O ATOM 29483 H1 TIP3 2648 36.559 67.557 30.999 1.00 0.00 WT2 H ATOM 29484 H2 TIP3 2648 36.513 66.073 31.292 1.00 0.00 WT2 H ATOM 29485 OH2 TIP3 2649 45.508 6.916 -4.174 1.00 0.00 WT2 O ATOM 29486 H1 TIP3 2649 45.290 7.495 -3.444 1.00 0.00 WT2 H ATOM 29487 H2 TIP3 2649 46.423 7.113 -4.372 1.00 0.00 WT2 H ATOM 29488 OH2 TIP3 2650 70.510 5.041 -13.025 1.00 0.00 WT2 O ATOM 29489 H1 TIP3 2650 71.233 5.669 -13.011 1.00 0.00 WT2 H ATOM 29490 H2 TIP3 2650 69.728 5.580 -13.144 1.00 0.00 WT2 H ATOM 29491 OH2 TIP3 2651 44.301 96.774 34.609 1.00 0.00 WT2 O ATOM 29492 H1 TIP3 2651 44.073 95.876 34.366 1.00 0.00 WT2 H ATOM 29493 H2 TIP3 2651 45.162 96.917 34.217 1.00 0.00 WT2 H ATOM 29494 OH2 TIP3 2653 85.203 59.602 56.401 1.00 0.00 WT2 O ATOM 29495 H1 TIP3 2653 85.540 58.759 56.704 1.00 0.00 WT2 H ATOM 29496 H2 TIP3 2653 84.439 59.379 55.869 1.00 0.00 WT2 H ATOM 29497 OH2 TIP3 2654 49.325 25.414 60.932 1.00 0.00 WT2 O ATOM 29498 H1 TIP3 2654 49.200 25.457 61.880 1.00 0.00 WT2 H ATOM 29499 H2 TIP3 2654 49.240 26.320 60.637 1.00 0.00 WT2 H ATOM 29500 OH2 TIP3 2655 68.704 41.213 14.975 1.00 0.00 WT2 O ATOM 29501 H1 TIP3 2655 68.045 40.710 14.496 1.00 0.00 WT2 H ATOM 29502 H2 TIP3 2655 68.306 42.075 15.096 1.00 0.00 WT2 H ATOM 29503 OH2 TIP3 2667 90.066 94.284 -5.756 1.00 0.00 WT2 O ATOM 29504 H1 TIP3 2667 90.552 93.985 -4.987 1.00 0.00 WT2 H ATOM 29505 H2 TIP3 2667 89.853 95.197 -5.565 1.00 0.00 WT2 H ATOM 29506 OH2 TIP3 2668 29.054 54.461 9.528 1.00 0.00 WT2 O ATOM 29507 H1 TIP3 2668 29.356 54.915 8.742 1.00 0.00 WT2 H ATOM 29508 H2 TIP3 2668 29.806 53.940 9.808 1.00 0.00 WT2 H ATOM 29509 OH2 TIP3 2669 59.059 31.149 -8.518 1.00 0.00 WT2 O ATOM 29510 H1 TIP3 2669 58.594 31.695 -9.152 1.00 0.00 WT2 H ATOM 29511 H2 TIP3 2669 58.884 31.562 -7.672 1.00 0.00 WT2 H ATOM 29512 OH2 TIP3 2670 88.982 82.950 66.836 1.00 0.00 WT2 O ATOM 29513 H1 TIP3 2670 88.908 83.477 66.040 1.00 0.00 WT2 H ATOM 29514 H2 TIP3 2670 89.068 82.051 66.521 1.00 0.00 WT2 H ATOM 29515 OH2 TIP3 2672 28.133 78.858 -8.115 1.00 0.00 WT2 O ATOM 29516 H1 TIP3 2672 27.417 78.654 -7.513 1.00 0.00 WT2 H ATOM 29517 H2 TIP3 2672 27.911 79.719 -8.469 1.00 0.00 WT2 H ATOM 29518 OH2 TIP3 2673 50.160 81.529 55.430 1.00 0.00 WT2 O ATOM 29519 H1 TIP3 2673 49.352 81.434 55.936 1.00 0.00 WT2 H ATOM 29520 H2 TIP3 2673 50.825 81.086 55.956 1.00 0.00 WT2 H ATOM 29521 OH2 TIP3 2674 37.498 64.955 46.283 1.00 0.00 WT2 O ATOM 29522 H1 TIP3 2674 37.913 65.512 45.624 1.00 0.00 WT2 H ATOM 29523 H2 TIP3 2674 37.967 64.122 46.223 1.00 0.00 WT2 H ATOM 29524 OH2 TIP3 2676 89.551 92.180 37.199 1.00 0.00 WT2 O ATOM 29525 H1 TIP3 2676 89.312 92.302 36.280 1.00 0.00 WT2 H ATOM 29526 H2 TIP3 2676 89.913 91.295 37.237 1.00 0.00 WT2 H ATOM 29527 OH2 TIP3 2689 50.568 2.759 2.145 1.00 0.00 WT2 O ATOM 29528 H1 TIP3 2689 50.679 3.698 1.993 1.00 0.00 WT2 H ATOM 29529 H2 TIP3 2689 51.432 2.457 2.424 1.00 0.00 WT2 H ATOM 29530 OH2 TIP3 2690 67.524 73.304 -1.861 1.00 0.00 WT2 O ATOM 29531 H1 TIP3 2690 67.303 72.376 -1.789 1.00 0.00 WT2 H ATOM 29532 H2 TIP3 2690 66.699 73.761 -1.700 1.00 0.00 WT2 H ATOM 29533 OH2 TIP3 2691 33.782 86.993 10.390 1.00 0.00 WT2 O ATOM 29534 H1 TIP3 2691 34.196 86.131 10.447 1.00 0.00 WT2 H ATOM 29535 H2 TIP3 2691 33.211 86.934 9.625 1.00 0.00 WT2 H ATOM 29536 OH2 TIP3 2692 62.141 82.316 38.165 1.00 0.00 WT2 O ATOM 29537 H1 TIP3 2692 62.788 82.388 37.463 1.00 0.00 WT2 H ATOM 29538 H2 TIP3 2692 62.113 81.381 38.369 1.00 0.00 WT2 H ATOM 29539 OH2 TIP3 2694 44.567 81.450 51.258 1.00 0.00 WT2 O ATOM 29540 H1 TIP3 2694 44.894 80.572 51.454 1.00 0.00 WT2 H ATOM 29541 H2 TIP3 2694 43.642 81.320 51.047 1.00 0.00 WT2 H ATOM 29542 OH2 TIP3 2695 46.921 23.475 59.914 1.00 0.00 WT2 O ATOM 29543 H1 TIP3 2695 46.716 24.176 59.295 1.00 0.00 WT2 H ATOM 29544 H2 TIP3 2695 47.787 23.167 59.650 1.00 0.00 WT2 H ATOM 29545 OH2 TIP3 2697 58.833 87.557 -10.684 1.00 0.00 WT2 O ATOM 29546 H1 TIP3 2697 59.108 88.359 -11.127 1.00 0.00 WT2 H ATOM 29547 H2 TIP3 2697 59.598 86.983 -10.731 1.00 0.00 WT2 H ATOM 29548 OH2 TIP3 2701 75.594 29.273 -2.721 1.00 0.00 WT2 O ATOM 29549 H1 TIP3 2701 76.483 29.168 -3.060 1.00 0.00 WT2 H ATOM 29550 H2 TIP3 2701 75.525 30.204 -2.511 1.00 0.00 WT2 H ATOM 29551 OH2 TIP3 2709 56.922 4.473 29.582 1.00 0.00 WT2 O ATOM 29552 H1 TIP3 2709 57.434 4.842 30.302 1.00 0.00 WT2 H ATOM 29553 H2 TIP3 2709 56.083 4.240 29.980 1.00 0.00 WT2 H ATOM 29554 OH2 TIP3 2710 37.891 41.669 29.861 1.00 0.00 WT2 O ATOM 29555 H1 TIP3 2710 38.775 41.897 29.574 1.00 0.00 WT2 H ATOM 29556 H2 TIP3 2710 37.975 40.784 30.216 1.00 0.00 WT2 H ATOM 29557 OH2 TIP3 2712 27.802 46.253 36.395 1.00 0.00 WT2 O ATOM 29558 H1 TIP3 2712 27.467 45.459 36.810 1.00 0.00 WT2 H ATOM 29559 H2 TIP3 2712 27.457 46.222 35.502 1.00 0.00 WT2 H ATOM 29560 OH2 TIP3 2713 70.799 22.003 45.705 1.00 0.00 WT2 O ATOM 29561 H1 TIP3 2713 71.339 21.792 46.467 1.00 0.00 WT2 H ATOM 29562 H2 TIP3 2713 70.477 21.156 45.397 1.00 0.00 WT2 H ATOM 29563 OH2 TIP3 2714 66.505 84.845 -18.914 1.00 0.00 WT2 O ATOM 29564 H1 TIP3 2714 66.339 85.228 -19.775 1.00 0.00 WT2 H ATOM 29565 H2 TIP3 2714 67.074 84.095 -19.090 1.00 0.00 WT2 H ATOM 29566 OH2 TIP3 2715 44.996 38.675 2.060 1.00 0.00 WT2 O ATOM 29567 H1 TIP3 2715 44.683 38.435 2.932 1.00 0.00 WT2 H ATOM 29568 H2 TIP3 2715 45.948 38.601 2.118 1.00 0.00 WT2 H ATOM 29569 OH2 TIP3 2717 77.317 13.705 -5.856 1.00 0.00 WT2 O ATOM 29570 H1 TIP3 2717 77.176 13.069 -5.155 1.00 0.00 WT2 H ATOM 29571 H2 TIP3 2717 77.144 14.554 -5.448 1.00 0.00 WT2 H ATOM 29572 OH2 TIP3 2732 65.292 88.229 49.040 1.00 0.00 WT2 O ATOM 29573 H1 TIP3 2732 64.420 87.941 49.310 1.00 0.00 WT2 H ATOM 29574 H2 TIP3 2732 65.466 89.002 49.577 1.00 0.00 WT2 H ATOM 29575 OH2 TIP3 2734 22.379 83.497 62.514 1.00 0.00 WT2 O ATOM 29576 H1 TIP3 2734 23.138 83.398 63.088 1.00 0.00 WT2 H ATOM 29577 H2 TIP3 2734 22.606 84.228 61.939 1.00 0.00 WT2 H ATOM 29578 OH2 TIP3 2735 49.312 34.525 -14.280 1.00 0.00 WT2 O ATOM 29579 H1 TIP3 2735 49.351 33.888 -13.567 1.00 0.00 WT2 H ATOM 29580 H2 TIP3 2735 50.228 34.692 -14.502 1.00 0.00 WT2 H ATOM 29581 OH2 TIP3 2736 87.427 27.017 40.185 1.00 0.00 WT2 O ATOM 29582 H1 TIP3 2736 86.911 26.841 40.972 1.00 0.00 WT2 H ATOM 29583 H2 TIP3 2736 87.529 27.968 40.172 1.00 0.00 WT2 H ATOM 29584 OH2 TIP3 2753 40.020 60.468 -13.840 1.00 0.00 WT2 O ATOM 29585 H1 TIP3 2753 39.181 60.467 -13.380 1.00 0.00 WT2 H ATOM 29586 H2 TIP3 2753 40.663 60.243 -13.168 1.00 0.00 WT2 H ATOM 29587 OH2 TIP3 2754 32.534 39.844 22.618 1.00 0.00 WT2 O ATOM 29588 H1 TIP3 2754 33.456 39.841 22.875 1.00 0.00 WT2 H ATOM 29589 H2 TIP3 2754 32.548 40.038 21.681 1.00 0.00 WT2 H ATOM 29590 OH2 TIP3 2755 76.018 21.026 34.501 1.00 0.00 WT2 O ATOM 29591 H1 TIP3 2755 75.466 20.862 35.265 1.00 0.00 WT2 H ATOM 29592 H2 TIP3 2755 76.834 20.563 34.691 1.00 0.00 WT2 H ATOM 29593 OH2 TIP3 2757 47.781 95.828 4.714 1.00 0.00 WT2 O ATOM 29594 H1 TIP3 2757 48.370 96.407 4.230 1.00 0.00 WT2 H ATOM 29595 H2 TIP3 2757 47.134 96.415 5.104 1.00 0.00 WT2 H ATOM 29596 OH2 TIP3 2758 85.144 76.600 13.332 1.00 0.00 WT2 O ATOM 29597 H1 TIP3 2758 84.615 76.986 12.634 1.00 0.00 WT2 H ATOM 29598 H2 TIP3 2758 84.593 75.907 13.696 1.00 0.00 WT2 H ATOM 29599 OH2 TIP3 2771 36.760 57.807 -14.625 1.00 0.00 WT2 O ATOM 29600 H1 TIP3 2771 36.493 56.919 -14.389 1.00 0.00 WT2 H ATOM 29601 H2 TIP3 2771 37.590 57.693 -15.088 1.00 0.00 WT2 H ATOM 29602 OH2 TIP3 2773 85.918 43.111 30.120 1.00 0.00 WT2 O ATOM 29603 H1 TIP3 2773 85.504 42.352 30.530 1.00 0.00 WT2 H ATOM 29604 H2 TIP3 2773 86.161 42.809 29.245 1.00 0.00 WT2 H ATOM 29605 OH2 TIP3 2774 22.094 26.097 7.209 1.00 0.00 WT2 O ATOM 29606 H1 TIP3 2774 21.833 26.576 7.995 1.00 0.00 WT2 H ATOM 29607 H2 TIP3 2774 21.915 25.180 7.416 1.00 0.00 WT2 H ATOM 29608 OH2 TIP3 2775 87.426 82.898 17.741 1.00 0.00 WT2 O ATOM 29609 H1 TIP3 2775 87.524 82.700 16.810 1.00 0.00 WT2 H ATOM 29610 H2 TIP3 2775 86.481 82.867 17.895 1.00 0.00 WT2 H ATOM 29611 OH2 TIP3 2776 64.725 8.115 18.076 1.00 0.00 WT2 O ATOM 29612 H1 TIP3 2776 65.581 8.295 17.687 1.00 0.00 WT2 H ATOM 29613 H2 TIP3 2776 64.768 8.512 18.946 1.00 0.00 WT2 H ATOM 29614 OH2 TIP3 2777 37.996 9.027 -12.003 1.00 0.00 WT2 O ATOM 29615 H1 TIP3 2777 38.681 9.677 -12.156 1.00 0.00 WT2 H ATOM 29616 H2 TIP3 2777 37.617 8.869 -12.867 1.00 0.00 WT2 H ATOM 29617 OH2 TIP3 2778 80.198 44.865 -17.361 1.00 0.00 WT2 O ATOM 29618 H1 TIP3 2778 80.019 45.251 -16.503 1.00 0.00 WT2 H ATOM 29619 H2 TIP3 2778 80.069 45.584 -17.979 1.00 0.00 WT2 H ATOM 29620 OH2 TIP3 2781 75.795 4.816 46.496 1.00 0.00 WT2 O ATOM 29621 H1 TIP3 2781 76.144 4.326 47.242 1.00 0.00 WT2 H ATOM 29622 H2 TIP3 2781 75.763 4.177 45.784 1.00 0.00 WT2 H ATOM 29623 OH2 TIP3 2793 60.312 67.118 65.895 1.00 0.00 WT2 O ATOM 29624 H1 TIP3 2793 60.310 68.070 65.787 1.00 0.00 WT2 H ATOM 29625 H2 TIP3 2793 59.630 66.949 66.544 1.00 0.00 WT2 H ATOM 29626 OH2 TIP3 2794 39.178 42.913 2.544 1.00 0.00 WT2 O ATOM 29627 H1 TIP3 2794 38.832 42.402 1.813 1.00 0.00 WT2 H ATOM 29628 H2 TIP3 2794 38.401 43.257 2.985 1.00 0.00 WT2 H ATOM 29629 OH2 TIP3 2795 23.921 12.609 50.492 1.00 0.00 WT2 O ATOM 29630 H1 TIP3 2795 23.555 13.045 51.261 1.00 0.00 WT2 H ATOM 29631 H2 TIP3 2795 24.631 13.183 50.206 1.00 0.00 WT2 H ATOM 29632 OH2 TIP3 2796 65.460 17.505 46.114 1.00 0.00 WT2 O ATOM 29633 H1 TIP3 2796 65.419 17.816 45.210 1.00 0.00 WT2 H ATOM 29634 H2 TIP3 2796 65.509 18.303 46.641 1.00 0.00 WT2 H ATOM 29635 OH2 TIP3 2797 29.411 35.477 7.063 1.00 0.00 WT2 O ATOM 29636 H1 TIP3 2797 30.066 35.735 6.414 1.00 0.00 WT2 H ATOM 29637 H2 TIP3 2797 29.304 36.250 7.617 1.00 0.00 WT2 H ATOM 29638 OH2 TIP3 2798 26.088 78.717 44.227 1.00 0.00 WT2 O ATOM 29639 H1 TIP3 2798 26.463 78.039 43.664 1.00 0.00 WT2 H ATOM 29640 H2 TIP3 2798 26.730 79.426 44.210 1.00 0.00 WT2 H ATOM 29641 OH2 TIP3 2802 61.883 17.330 24.608 1.00 0.00 WT2 O ATOM 29642 H1 TIP3 2802 61.154 17.724 24.129 1.00 0.00 WT2 H ATOM 29643 H2 TIP3 2802 62.397 16.882 23.936 1.00 0.00 WT2 H ATOM 29644 OH2 TIP3 2814 65.862 1.276 -7.860 1.00 0.00 WT2 O ATOM 29645 H1 TIP3 2814 65.097 1.679 -8.271 1.00 0.00 WT2 H ATOM 29646 H2 TIP3 2814 66.515 1.976 -7.831 1.00 0.00 WT2 H ATOM 29647 OH2 TIP3 2815 55.603 74.515 57.536 1.00 0.00 WT2 O ATOM 29648 H1 TIP3 2815 54.711 74.832 57.676 1.00 0.00 WT2 H ATOM 29649 H2 TIP3 2815 56.144 75.057 58.110 1.00 0.00 WT2 H ATOM 29650 OH2 TIP3 2817 29.963 91.207 -0.470 1.00 0.00 WT2 O ATOM 29651 H1 TIP3 2817 29.437 90.524 -0.885 1.00 0.00 WT2 H ATOM 29652 H2 TIP3 2817 30.530 91.531 -1.170 1.00 0.00 WT2 H ATOM 29653 OH2 TIP3 2818 36.606 88.581 33.897 1.00 0.00 WT2 O ATOM 29654 H1 TIP3 2818 37.561 88.574 33.828 1.00 0.00 WT2 H ATOM 29655 H2 TIP3 2818 36.429 88.358 34.811 1.00 0.00 WT2 H ATOM 29656 OH2 TIP3 2819 60.174 48.069 36.391 1.00 0.00 WT2 O ATOM 29657 H1 TIP3 2819 59.910 47.748 35.529 1.00 0.00 WT2 H ATOM 29658 H2 TIP3 2819 59.679 48.880 36.508 1.00 0.00 WT2 H ATOM 29659 OH2 TIP3 2820 24.946 48.133 -1.654 1.00 0.00 WT2 O ATOM 29660 H1 TIP3 2820 24.021 48.022 -1.433 1.00 0.00 WT2 H ATOM 29661 H2 TIP3 2820 25.125 49.058 -1.480 1.00 0.00 WT2 H ATOM 29662 OH2 TIP3 2821 50.722 13.068 -0.084 1.00 0.00 WT2 O ATOM 29663 H1 TIP3 2821 51.535 13.393 0.302 1.00 0.00 WT2 H ATOM 29664 H2 TIP3 2821 50.178 12.831 0.668 1.00 0.00 WT2 H ATOM 29665 OH2 TIP3 2822 26.162 51.008 21.509 1.00 0.00 WT2 O ATOM 29666 H1 TIP3 2822 26.946 50.625 21.904 1.00 0.00 WT2 H ATOM 29667 H2 TIP3 2822 26.294 50.906 20.567 1.00 0.00 WT2 H ATOM 29668 OH2 TIP3 2823 64.025 62.217 50.985 1.00 0.00 WT2 O ATOM 29669 H1 TIP3 2823 63.883 62.504 50.083 1.00 0.00 WT2 H ATOM 29670 H2 TIP3 2823 63.146 62.053 51.325 1.00 0.00 WT2 H ATOM 29671 OH2 TIP3 2832 21.334 19.186 -17.220 1.00 0.00 WT2 O ATOM 29672 H1 TIP3 2832 21.324 20.142 -17.167 1.00 0.00 WT2 H ATOM 29673 H2 TIP3 2832 20.596 18.969 -17.789 1.00 0.00 WT2 H ATOM 29674 OH2 TIP3 2838 23.572 57.032 48.741 1.00 0.00 WT2 O ATOM 29675 H1 TIP3 2838 23.982 57.421 47.969 1.00 0.00 WT2 H ATOM 29676 H2 TIP3 2838 23.754 57.653 49.447 1.00 0.00 WT2 H ATOM 29677 OH2 TIP3 2839 76.698 88.381 -9.721 1.00 0.00 WT2 O ATOM 29678 H1 TIP3 2839 77.498 88.654 -10.170 1.00 0.00 WT2 H ATOM 29679 H2 TIP3 2839 76.006 88.498 -10.371 1.00 0.00 WT2 H ATOM 29680 OH2 TIP3 2840 25.569 9.377 0.814 1.00 0.00 WT2 O ATOM 29681 H1 TIP3 2840 26.189 9.866 1.356 1.00 0.00 WT2 H ATOM 29682 H2 TIP3 2840 25.235 10.022 0.191 1.00 0.00 WT2 H ATOM 29683 OH2 TIP3 2841 56.834 24.041 -11.506 1.00 0.00 WT2 O ATOM 29684 H1 TIP3 2841 56.771 23.826 -12.436 1.00 0.00 WT2 H ATOM 29685 H2 TIP3 2841 56.570 23.239 -11.055 1.00 0.00 WT2 H ATOM 29686 OH2 TIP3 2842 42.739 85.028 64.184 1.00 0.00 WT2 O ATOM 29687 H1 TIP3 2842 43.606 85.313 63.896 1.00 0.00 WT2 H ATOM 29688 H2 TIP3 2842 42.207 85.038 63.387 1.00 0.00 WT2 H ATOM 29689 OH2 TIP3 2843 39.466 24.749 40.583 1.00 0.00 WT2 O ATOM 29690 H1 TIP3 2843 38.899 24.009 40.365 1.00 0.00 WT2 H ATOM 29691 H2 TIP3 2843 40.340 24.368 40.659 1.00 0.00 WT2 H ATOM 29692 OH2 TIP3 2857 63.684 91.303 57.245 1.00 0.00 WT2 O ATOM 29693 H1 TIP3 2857 63.644 91.942 56.534 1.00 0.00 WT2 H ATOM 29694 H2 TIP3 2857 63.115 90.588 56.959 1.00 0.00 WT2 H ATOM 29695 OH2 TIP3 2859 28.226 84.046 59.883 1.00 0.00 WT2 O ATOM 29696 H1 TIP3 2859 29.162 84.233 59.815 1.00 0.00 WT2 H ATOM 29697 H2 TIP3 2859 27.802 84.898 59.772 1.00 0.00 WT2 H ATOM 29698 OH2 TIP3 2862 57.283 20.747 36.600 1.00 0.00 WT2 O ATOM 29699 H1 TIP3 2862 56.519 20.720 36.023 1.00 0.00 WT2 H ATOM 29700 H2 TIP3 2862 57.980 21.118 36.058 1.00 0.00 WT2 H ATOM 29701 OH2 TIP3 2863 71.577 26.668 63.224 1.00 0.00 WT2 O ATOM 29702 H1 TIP3 2863 71.515 26.060 62.488 1.00 0.00 WT2 H ATOM 29703 H2 TIP3 2863 70.675 26.772 63.527 1.00 0.00 WT2 H ATOM 29704 OH2 TIP3 2877 48.469 8.010 61.084 1.00 0.00 WT2 O ATOM 29705 H1 TIP3 2877 48.703 8.376 61.937 1.00 0.00 WT2 H ATOM 29706 H2 TIP3 2877 49.189 7.417 60.871 1.00 0.00 WT2 H ATOM 29707 OH2 TIP3 2878 87.655 92.718 52.080 1.00 0.00 WT2 O ATOM 29708 H1 TIP3 2878 88.305 93.163 51.536 1.00 0.00 WT2 H ATOM 29709 H2 TIP3 2878 87.768 91.789 51.878 1.00 0.00 WT2 H ATOM 29710 OH2 TIP3 2880 62.821 25.121 0.965 1.00 0.00 WT2 O ATOM 29711 H1 TIP3 2880 62.268 24.611 0.373 1.00 0.00 WT2 H ATOM 29712 H2 TIP3 2880 63.499 25.491 0.400 1.00 0.00 WT2 H ATOM 29713 OH2 TIP3 2882 29.312 66.285 51.373 1.00 0.00 WT2 O ATOM 29714 H1 TIP3 2882 29.627 66.958 50.769 1.00 0.00 WT2 H ATOM 29715 H2 TIP3 2882 30.055 66.115 51.952 1.00 0.00 WT2 H ATOM 29716 OH2 TIP3 2883 30.925 49.096 39.971 1.00 0.00 WT2 O ATOM 29717 H1 TIP3 2883 31.589 48.408 39.929 1.00 0.00 WT2 H ATOM 29718 H2 TIP3 2883 31.243 49.773 39.374 1.00 0.00 WT2 H ATOM 29719 OH2 TIP3 2884 23.578 65.353 50.315 1.00 0.00 WT2 O ATOM 29720 H1 TIP3 2884 23.457 65.566 51.241 1.00 0.00 WT2 H ATOM 29721 H2 TIP3 2884 24.174 66.027 49.990 1.00 0.00 WT2 H ATOM 29722 OH2 TIP3 2899 85.523 2.537 -15.821 1.00 0.00 WT2 O ATOM 29723 H1 TIP3 2899 86.153 3.184 -16.140 1.00 0.00 WT2 H ATOM 29724 H2 TIP3 2899 84.741 3.047 -15.609 1.00 0.00 WT2 H ATOM 29725 OH2 TIP3 2900 38.965 25.229 49.176 1.00 0.00 WT2 O ATOM 29726 H1 TIP3 2900 39.830 24.943 49.471 1.00 0.00 WT2 H ATOM 29727 H2 TIP3 2900 39.142 25.974 48.601 1.00 0.00 WT2 H ATOM 29728 OH2 TIP3 2901 42.540 53.449 -4.031 1.00 0.00 WT2 O ATOM 29729 H1 TIP3 2901 43.097 53.231 -4.778 1.00 0.00 WT2 H ATOM 29730 H2 TIP3 2901 43.119 53.914 -3.427 1.00 0.00 WT2 H ATOM 29731 OH2 TIP3 2902 78.556 31.424 31.652 1.00 0.00 WT2 O ATOM 29732 H1 TIP3 2902 79.095 32.213 31.689 1.00 0.00 WT2 H ATOM 29733 H2 TIP3 2902 79.039 30.830 31.076 1.00 0.00 WT2 H ATOM 29734 OH2 TIP3 2903 65.908 24.738 6.853 1.00 0.00 WT2 O ATOM 29735 H1 TIP3 2903 66.116 23.856 6.546 1.00 0.00 WT2 H ATOM 29736 H2 TIP3 2903 64.955 24.741 6.947 1.00 0.00 WT2 H ATOM 29737 OH2 TIP3 2904 56.423 12.616 66.798 1.00 0.00 WT2 O ATOM 29738 H1 TIP3 2904 56.383 12.360 67.719 1.00 0.00 WT2 H ATOM 29739 H2 TIP3 2904 55.517 12.818 66.565 1.00 0.00 WT2 H ATOM 29740 OH2 TIP3 2905 79.660 60.727 19.595 1.00 0.00 WT2 O ATOM 29741 H1 TIP3 2905 79.188 61.555 19.685 1.00 0.00 WT2 H ATOM 29742 H2 TIP3 2905 79.229 60.284 18.864 1.00 0.00 WT2 H ATOM 29743 OH2 TIP3 2908 55.441 10.498 -9.186 1.00 0.00 WT2 O ATOM 29744 H1 TIP3 2908 55.089 9.858 -8.567 1.00 0.00 WT2 H ATOM 29745 H2 TIP3 2908 55.702 9.978 -9.946 1.00 0.00 WT2 H ATOM 29746 OH2 TIP3 2918 31.222 14.697 41.499 1.00 0.00 WT2 O ATOM 29747 H1 TIP3 2918 31.919 14.382 42.075 1.00 0.00 WT2 H ATOM 29748 H2 TIP3 2918 30.495 14.898 42.089 1.00 0.00 WT2 H ATOM 29749 OH2 TIP3 2919 34.351 29.470 17.162 1.00 0.00 WT2 O ATOM 29750 H1 TIP3 2919 35.283 29.315 17.011 1.00 0.00 WT2 H ATOM 29751 H2 TIP3 2919 34.273 30.422 17.221 1.00 0.00 WT2 H ATOM 29752 OH2 TIP3 2920 63.158 57.103 55.812 1.00 0.00 WT2 O ATOM 29753 H1 TIP3 2920 62.712 56.364 55.398 1.00 0.00 WT2 H ATOM 29754 H2 TIP3 2920 63.889 57.301 55.227 1.00 0.00 WT2 H ATOM 29755 OH2 TIP3 2922 22.763 31.806 28.986 1.00 0.00 WT2 O ATOM 29756 H1 TIP3 2922 23.198 32.260 28.265 1.00 0.00 WT2 H ATOM 29757 H2 TIP3 2922 22.507 30.961 28.619 1.00 0.00 WT2 H ATOM 29758 OH2 TIP3 2923 32.292 68.574 -5.801 1.00 0.00 WT2 O ATOM 29759 H1 TIP3 2923 31.939 68.578 -6.691 1.00 0.00 WT2 H ATOM 29760 H2 TIP3 2923 32.912 67.846 -5.792 1.00 0.00 WT2 H ATOM 29761 OH2 TIP3 2925 62.676 14.544 52.475 1.00 0.00 WT2 O ATOM 29762 H1 TIP3 2925 62.856 15.405 52.097 1.00 0.00 WT2 H ATOM 29763 H2 TIP3 2925 61.908 14.681 53.029 1.00 0.00 WT2 H ATOM 29764 OH2 TIP3 2927 37.932 13.406 -1.508 1.00 0.00 WT2 O ATOM 29765 H1 TIP3 2927 37.503 14.260 -1.455 1.00 0.00 WT2 H ATOM 29766 H2 TIP3 2927 38.652 13.460 -0.880 1.00 0.00 WT2 H ATOM 29767 OH2 TIP3 2938 46.776 22.048 62.320 1.00 0.00 WT2 O ATOM 29768 H1 TIP3 2938 46.815 22.504 61.479 1.00 0.00 WT2 H ATOM 29769 H2 TIP3 2938 47.083 22.693 62.957 1.00 0.00 WT2 H ATOM 29770 OH2 TIP3 2941 52.852 13.164 64.894 1.00 0.00 WT2 O ATOM 29771 H1 TIP3 2941 53.200 13.104 65.783 1.00 0.00 WT2 H ATOM 29772 H2 TIP3 2941 52.285 13.936 64.909 1.00 0.00 WT2 H ATOM 29773 OH2 TIP3 2942 33.632 24.509 -7.961 1.00 0.00 WT2 O ATOM 29774 H1 TIP3 2942 33.342 25.066 -7.239 1.00 0.00 WT2 H ATOM 29775 H2 TIP3 2942 34.550 24.747 -8.094 1.00 0.00 WT2 H ATOM 29776 OH2 TIP3 2943 84.836 34.794 1.572 1.00 0.00 WT2 O ATOM 29777 H1 TIP3 2943 85.346 34.720 2.379 1.00 0.00 WT2 H ATOM 29778 H2 TIP3 2943 85.337 35.399 1.026 1.00 0.00 WT2 H ATOM 29779 OH2 TIP3 2944 70.510 22.291 58.650 1.00 0.00 WT2 O ATOM 29780 H1 TIP3 2944 70.099 21.916 59.429 1.00 0.00 WT2 H ATOM 29781 H2 TIP3 2944 71.321 22.685 58.973 1.00 0.00 WT2 H ATOM 29782 OH2 TIP3 2945 28.451 50.605 49.370 1.00 0.00 WT2 O ATOM 29783 H1 TIP3 2945 27.765 51.106 48.928 1.00 0.00 WT2 H ATOM 29784 H2 TIP3 2945 28.131 49.703 49.363 1.00 0.00 WT2 H ATOM 29785 OH2 TIP3 2946 78.388 13.219 5.126 1.00 0.00 WT2 O ATOM 29786 H1 TIP3 2946 79.174 13.762 5.074 1.00 0.00 WT2 H ATOM 29787 H2 TIP3 2946 78.239 13.101 6.064 1.00 0.00 WT2 H ATOM 29788 OH2 TIP3 2960 35.757 67.183 40.392 1.00 0.00 WT2 O ATOM 29789 H1 TIP3 2960 35.694 68.129 40.260 1.00 0.00 WT2 H ATOM 29790 H2 TIP3 2960 36.532 66.922 39.895 1.00 0.00 WT2 H ATOM 29791 OH2 TIP3 2961 54.609 23.678 -9.165 1.00 0.00 WT2 O ATOM 29792 H1 TIP3 2961 55.527 23.806 -8.927 1.00 0.00 WT2 H ATOM 29793 H2 TIP3 2961 54.121 23.909 -8.375 1.00 0.00 WT2 H ATOM 29794 OH2 TIP3 2963 44.547 23.052 58.869 1.00 0.00 WT2 O ATOM 29795 H1 TIP3 2963 45.159 23.259 59.576 1.00 0.00 WT2 H ATOM 29796 H2 TIP3 2963 43.951 23.801 58.841 1.00 0.00 WT2 H ATOM 29797 OH2 TIP3 2964 36.788 75.817 -13.531 1.00 0.00 WT2 O ATOM 29798 H1 TIP3 2964 35.936 75.999 -13.135 1.00 0.00 WT2 H ATOM 29799 H2 TIP3 2964 36.755 74.887 -13.754 1.00 0.00 WT2 H ATOM 29800 OH2 TIP3 2966 70.076 40.834 56.903 1.00 0.00 WT2 O ATOM 29801 H1 TIP3 2966 69.692 41.702 56.778 1.00 0.00 WT2 H ATOM 29802 H2 TIP3 2966 69.324 40.246 56.975 1.00 0.00 WT2 H ATOM 29803 OH2 TIP3 2967 76.539 50.390 -14.919 1.00 0.00 WT2 O ATOM 29804 H1 TIP3 2967 76.969 49.560 -15.121 1.00 0.00 WT2 H ATOM 29805 H2 TIP3 2967 75.679 50.139 -14.582 1.00 0.00 WT2 H ATOM 29806 OH2 TIP3 2969 51.047 44.008 48.227 1.00 0.00 WT2 O ATOM 29807 H1 TIP3 2969 51.903 44.078 47.805 1.00 0.00 WT2 H ATOM 29808 H2 TIP3 2969 50.628 44.852 48.062 1.00 0.00 WT2 H ATOM 29809 OH2 TIP3 2972 52.517 9.817 37.765 1.00 0.00 WT2 O ATOM 29810 H1 TIP3 2972 53.263 10.204 38.223 1.00 0.00 WT2 H ATOM 29811 H2 TIP3 2972 52.016 10.567 37.445 1.00 0.00 WT2 H ATOM 29812 OH2 TIP3 2979 45.827 60.531 54.500 1.00 0.00 WT2 O ATOM 29813 H1 TIP3 2979 46.294 61.081 53.871 1.00 0.00 WT2 H ATOM 29814 H2 TIP3 2979 44.935 60.477 54.154 1.00 0.00 WT2 H ATOM 29815 OH2 TIP3 2983 33.152 73.974 4.448 1.00 0.00 WT2 O ATOM 29816 H1 TIP3 2983 33.770 74.588 4.845 1.00 0.00 WT2 H ATOM 29817 H2 TIP3 2983 32.671 74.498 3.808 1.00 0.00 WT2 H ATOM 29818 OH2 TIP3 2984 70.625 4.295 26.027 1.00 0.00 WT2 O ATOM 29819 H1 TIP3 2984 70.544 3.375 25.775 1.00 0.00 WT2 H ATOM 29820 H2 TIP3 2984 71.288 4.297 26.718 1.00 0.00 WT2 H ATOM 29821 OH2 TIP3 2986 68.138 82.019 52.006 1.00 0.00 WT2 O ATOM 29822 H1 TIP3 2986 67.813 81.809 51.131 1.00 0.00 WT2 H ATOM 29823 H2 TIP3 2986 69.003 81.611 52.045 1.00 0.00 WT2 H ATOM 29824 OH2 TIP3 2989 59.780 94.492 1.057 1.00 0.00 WT2 O ATOM 29825 H1 TIP3 2989 58.827 94.510 0.973 1.00 0.00 WT2 H ATOM 29826 H2 TIP3 2989 59.940 94.049 1.890 1.00 0.00 WT2 H ATOM 29827 OH2 TIP3 2990 28.661 96.659 42.016 1.00 0.00 WT2 O ATOM 29828 H1 TIP3 2990 27.986 96.153 41.565 1.00 0.00 WT2 H ATOM 29829 H2 TIP3 2990 28.216 97.027 42.780 1.00 0.00 WT2 H ATOM 29830 OH2 TIP3 2992 27.447 92.717 63.148 1.00 0.00 WT2 O ATOM 29831 H1 TIP3 2992 27.004 93.306 62.538 1.00 0.00 WT2 H ATOM 29832 H2 TIP3 2992 26.996 92.851 63.982 1.00 0.00 WT2 H ATOM 29833 OH2 TIP3 3002 43.052 8.808 46.961 1.00 0.00 WT2 O ATOM 29834 H1 TIP3 3002 42.386 8.566 46.317 1.00 0.00 WT2 H ATOM 29835 H2 TIP3 3002 42.579 8.842 47.793 1.00 0.00 WT2 H ATOM 29836 OH2 TIP3 3006 73.563 11.295 40.699 1.00 0.00 WT2 O ATOM 29837 H1 TIP3 3006 73.290 10.912 41.533 1.00 0.00 WT2 H ATOM 29838 H2 TIP3 3006 73.702 12.222 40.895 1.00 0.00 WT2 H ATOM 29839 OH2 TIP3 3009 36.276 55.618 -12.897 1.00 0.00 WT2 O ATOM 29840 H1 TIP3 3009 36.896 55.592 -12.169 1.00 0.00 WT2 H ATOM 29841 H2 TIP3 3009 36.126 54.699 -13.118 1.00 0.00 WT2 H ATOM 29842 OH2 TIP3 3010 79.426 12.391 53.060 1.00 0.00 WT2 O ATOM 29843 H1 TIP3 3010 78.701 12.496 52.443 1.00 0.00 WT2 H ATOM 29844 H2 TIP3 3010 79.614 13.280 53.362 1.00 0.00 WT2 H ATOM 29845 OH2 TIP3 3011 25.614 60.418 1.243 1.00 0.00 WT2 O ATOM 29846 H1 TIP3 3011 25.725 60.417 2.194 1.00 0.00 WT2 H ATOM 29847 H2 TIP3 3011 24.925 59.774 1.081 1.00 0.00 WT2 H ATOM 29848 OH2 TIP3 3012 81.219 1.635 -16.037 1.00 0.00 WT2 O ATOM 29849 H1 TIP3 3012 81.340 2.502 -16.422 1.00 0.00 WT2 H ATOM 29850 H2 TIP3 3012 82.073 1.211 -16.127 1.00 0.00 WT2 H ATOM 29851 OH2 TIP3 3013 63.245 10.620 1.789 1.00 0.00 WT2 O ATOM 29852 H1 TIP3 3013 62.620 11.318 1.593 1.00 0.00 WT2 H ATOM 29853 H2 TIP3 3013 63.228 10.544 2.743 1.00 0.00 WT2 H ATOM 29854 OH2 TIP3 3018 74.823 57.783 60.267 1.00 0.00 WT2 O ATOM 29855 H1 TIP3 3018 74.241 58.541 60.228 1.00 0.00 WT2 H ATOM 29856 H2 TIP3 3018 75.215 57.736 59.395 1.00 0.00 WT2 H ATOM 29857 OH2 TIP3 3027 88.020 11.919 44.954 1.00 0.00 WT2 O ATOM 29858 H1 TIP3 3027 87.525 12.125 45.748 1.00 0.00 WT2 H ATOM 29859 H2 TIP3 3027 87.490 11.262 44.504 1.00 0.00 WT2 H ATOM 29860 OH2 TIP3 3028 70.974 70.033 28.868 1.00 0.00 WT2 O ATOM 29861 H1 TIP3 3028 70.045 70.089 28.643 1.00 0.00 WT2 H ATOM 29862 H2 TIP3 3028 71.043 70.474 29.715 1.00 0.00 WT2 H ATOM 29863 OH2 TIP3 3029 44.768 28.827 39.578 1.00 0.00 WT2 O ATOM 29864 H1 TIP3 3029 44.977 29.705 39.899 1.00 0.00 WT2 H ATOM 29865 H2 TIP3 3029 43.871 28.671 39.873 1.00 0.00 WT2 H ATOM 29866 OH2 TIP3 3046 48.960 77.746 39.024 1.00 0.00 WT2 O ATOM 29867 H1 TIP3 3046 49.733 77.978 39.539 1.00 0.00 WT2 H ATOM 29868 H2 TIP3 3046 48.278 77.580 39.675 1.00 0.00 WT2 H ATOM 29869 OH2 TIP3 3048 82.175 13.166 47.215 1.00 0.00 WT2 O ATOM 29870 H1 TIP3 3048 82.667 12.353 47.334 1.00 0.00 WT2 H ATOM 29871 H2 TIP3 3048 82.664 13.818 47.717 1.00 0.00 WT2 H ATOM 29872 OH2 TIP3 3049 84.287 31.919 52.675 1.00 0.00 WT2 O ATOM 29873 H1 TIP3 3049 84.608 32.710 52.243 1.00 0.00 WT2 H ATOM 29874 H2 TIP3 3049 85.065 31.372 52.785 1.00 0.00 WT2 H ATOM 29875 OH2 TIP3 3050 62.664 60.364 58.203 1.00 0.00 WT2 O ATOM 29876 H1 TIP3 3050 62.036 60.017 57.569 1.00 0.00 WT2 H ATOM 29877 H2 TIP3 3050 62.131 60.866 58.819 1.00 0.00 WT2 H ATOM 29878 OH2 TIP3 3051 55.900 77.757 -8.190 1.00 0.00 WT2 O ATOM 29879 H1 TIP3 3051 55.431 77.460 -8.970 1.00 0.00 WT2 H ATOM 29880 H2 TIP3 3051 56.493 77.037 -7.978 1.00 0.00 WT2 H ATOM 29881 OH2 TIP3 3052 44.316 62.455 60.382 1.00 0.00 WT2 O ATOM 29882 H1 TIP3 3052 44.921 61.839 60.795 1.00 0.00 WT2 H ATOM 29883 H2 TIP3 3052 44.797 63.282 60.354 1.00 0.00 WT2 H ATOM 29884 OH2 TIP3 3067 82.311 85.326 44.691 1.00 0.00 WT2 O ATOM 29885 H1 TIP3 3067 81.892 85.602 43.876 1.00 0.00 WT2 H ATOM 29886 H2 TIP3 3067 81.863 85.826 45.373 1.00 0.00 WT2 H ATOM 29887 OH2 TIP3 3069 39.979 74.620 -1.803 1.00 0.00 WT2 O ATOM 29888 H1 TIP3 3069 39.451 75.145 -1.202 1.00 0.00 WT2 H ATOM 29889 H2 TIP3 3069 40.522 74.076 -1.234 1.00 0.00 WT2 H ATOM 29890 OH2 TIP3 3070 59.249 20.898 7.260 1.00 0.00 WT2 O ATOM 29891 H1 TIP3 3070 59.005 21.786 7.002 1.00 0.00 WT2 H ATOM 29892 H2 TIP3 3070 58.551 20.619 7.852 1.00 0.00 WT2 H ATOM 29893 OH2 TIP3 3072 83.521 91.478 67.291 1.00 0.00 WT2 O ATOM 29894 H1 TIP3 3072 83.337 92.306 66.847 1.00 0.00 WT2 H ATOM 29895 H2 TIP3 3072 82.674 91.033 67.328 1.00 0.00 WT2 H ATOM 29896 OH2 TIP3 3073 81.957 46.236 66.042 1.00 0.00 WT2 O ATOM 29897 H1 TIP3 3073 81.117 46.626 66.281 1.00 0.00 WT2 H ATOM 29898 H2 TIP3 3073 81.744 45.334 65.804 1.00 0.00 WT2 H ATOM 29899 OH2 TIP3 3076 47.948 73.109 50.605 1.00 0.00 WT2 O ATOM 29900 H1 TIP3 3076 48.160 73.991 50.298 1.00 0.00 WT2 H ATOM 29901 H2 TIP3 3076 47.144 72.880 50.138 1.00 0.00 WT2 H ATOM 29902 OH2 TIP3 3085 85.425 85.288 42.802 1.00 0.00 WT2 O ATOM 29903 H1 TIP3 3085 84.833 85.987 42.522 1.00 0.00 WT2 H ATOM 29904 H2 TIP3 3085 85.330 85.261 43.754 1.00 0.00 WT2 H ATOM 29905 OH2 TIP3 3086 27.814 9.773 50.123 1.00 0.00 WT2 O ATOM 29906 H1 TIP3 3086 28.284 9.111 50.631 1.00 0.00 WT2 H ATOM 29907 H2 TIP3 3086 26.906 9.700 50.417 1.00 0.00 WT2 H ATOM 29908 OH2 TIP3 3087 35.942 47.329 37.397 1.00 0.00 WT2 O ATOM 29909 H1 TIP3 3087 36.870 47.095 37.386 1.00 0.00 WT2 H ATOM 29910 H2 TIP3 3087 35.916 48.222 37.052 1.00 0.00 WT2 H ATOM 29911 OH2 TIP3 3088 57.430 39.058 39.600 1.00 0.00 WT2 O ATOM 29912 H1 TIP3 3088 56.507 39.041 39.346 1.00 0.00 WT2 H ATOM 29913 H2 TIP3 3088 57.778 39.847 39.184 1.00 0.00 WT2 H ATOM 29914 OH2 TIP3 3091 39.012 71.137 28.645 1.00 0.00 WT2 O ATOM 29915 H1 TIP3 3091 39.381 70.464 28.073 1.00 0.00 WT2 H ATOM 29916 H2 TIP3 3091 39.762 71.674 28.899 1.00 0.00 WT2 H ATOM 29917 OH2 TIP3 3092 39.836 68.412 -9.291 1.00 0.00 WT2 O ATOM 29918 H1 TIP3 3092 39.583 68.304 -8.375 1.00 0.00 WT2 H ATOM 29919 H2 TIP3 3092 39.929 69.358 -9.405 1.00 0.00 WT2 H ATOM 29920 OH2 TIP3 3093 56.189 54.852 58.430 1.00 0.00 WT2 O ATOM 29921 H1 TIP3 3093 57.018 54.393 58.562 1.00 0.00 WT2 H ATOM 29922 H2 TIP3 3093 55.927 54.624 57.538 1.00 0.00 WT2 H ATOM 29923 OH2 TIP3 3094 61.286 95.212 46.102 1.00 0.00 WT2 O ATOM 29924 H1 TIP3 3094 60.932 95.927 46.630 1.00 0.00 WT2 H ATOM 29925 H2 TIP3 3094 60.889 95.331 45.239 1.00 0.00 WT2 H ATOM 29926 OH2 TIP3 3095 77.988 90.247 64.640 1.00 0.00 WT2 O ATOM 29927 H1 TIP3 3095 78.675 89.623 64.876 1.00 0.00 WT2 H ATOM 29928 H2 TIP3 3095 77.480 90.358 65.444 1.00 0.00 WT2 H ATOM 29929 OH2 TIP3 3097 75.543 45.479 -11.274 1.00 0.00 WT2 O ATOM 29930 H1 TIP3 3097 75.524 46.025 -10.489 1.00 0.00 WT2 H ATOM 29931 H2 TIP3 3097 75.917 44.648 -10.979 1.00 0.00 WT2 H ATOM 29932 OH2 TIP3 3108 40.121 14.275 36.218 1.00 0.00 WT2 O ATOM 29933 H1 TIP3 3108 39.433 14.014 35.606 1.00 0.00 WT2 H ATOM 29934 H2 TIP3 3108 40.894 14.409 35.670 1.00 0.00 WT2 H ATOM 29935 OH2 TIP3 3109 46.475 58.122 64.337 1.00 0.00 WT2 O ATOM 29936 H1 TIP3 3109 47.137 58.130 63.646 1.00 0.00 WT2 H ATOM 29937 H2 TIP3 3109 45.745 58.624 63.975 1.00 0.00 WT2 H ATOM 29938 OH2 TIP3 3110 22.051 58.028 38.836 1.00 0.00 WT2 O ATOM 29939 H1 TIP3 3110 21.698 58.806 38.403 1.00 0.00 WT2 H ATOM 29940 H2 TIP3 3110 22.993 58.192 38.893 1.00 0.00 WT2 H ATOM 29941 OH2 TIP3 3111 49.519 8.850 52.345 1.00 0.00 WT2 O ATOM 29942 H1 TIP3 3111 49.520 7.901 52.469 1.00 0.00 WT2 H ATOM 29943 H2 TIP3 3111 48.913 9.178 53.010 1.00 0.00 WT2 H ATOM 29944 OH2 TIP3 3112 74.881 27.501 43.919 1.00 0.00 WT2 O ATOM 29945 H1 TIP3 3112 74.595 26.760 43.384 1.00 0.00 WT2 H ATOM 29946 H2 TIP3 3112 74.677 28.272 43.391 1.00 0.00 WT2 H ATOM 29947 OH2 TIP3 3114 51.487 31.261 -19.609 1.00 0.00 WT2 O ATOM 29948 H1 TIP3 3114 50.751 31.434 -20.196 1.00 0.00 WT2 H ATOM 29949 H2 TIP3 3114 51.480 31.994 -18.993 1.00 0.00 WT2 H ATOM 29950 OH2 TIP3 3115 20.561 4.209 51.165 1.00 0.00 WT2 O ATOM 29951 H1 TIP3 3115 20.434 3.409 51.675 1.00 0.00 WT2 H ATOM 29952 H2 TIP3 3115 20.837 3.902 50.302 1.00 0.00 WT2 H ATOM 29953 OH2 TIP3 3116 39.940 86.079 22.464 1.00 0.00 WT2 O ATOM 29954 H1 TIP3 3116 39.580 85.293 22.875 1.00 0.00 WT2 H ATOM 29955 H2 TIP3 3116 40.791 85.803 22.123 1.00 0.00 WT2 H ATOM 29956 OH2 TIP3 3128 39.668 9.775 54.119 1.00 0.00 WT2 O ATOM 29957 H1 TIP3 3128 40.503 9.360 53.902 1.00 0.00 WT2 H ATOM 29958 H2 TIP3 3128 39.880 10.383 54.828 1.00 0.00 WT2 H ATOM 29959 OH2 TIP3 3129 49.834 42.770 32.715 1.00 0.00 WT2 O ATOM 29960 H1 TIP3 3129 49.740 42.887 31.769 1.00 0.00 WT2 H ATOM 29961 H2 TIP3 3129 49.564 41.866 32.873 1.00 0.00 WT2 H ATOM 29962 OH2 TIP3 3131 43.684 13.989 52.155 1.00 0.00 WT2 O ATOM 29963 H1 TIP3 3131 42.796 13.763 51.877 1.00 0.00 WT2 H ATOM 29964 H2 TIP3 3131 43.665 13.907 53.108 1.00 0.00 WT2 H ATOM 29965 OH2 TIP3 3134 71.223 23.670 -9.436 1.00 0.00 WT2 O ATOM 29966 H1 TIP3 3134 70.487 23.640 -10.046 1.00 0.00 WT2 H ATOM 29967 H2 TIP3 3134 71.999 23.698 -9.996 1.00 0.00 WT2 H ATOM 29968 OH2 TIP3 3140 72.534 96.358 32.500 1.00 0.00 WT2 O ATOM 29969 H1 TIP3 3140 72.950 97.057 33.005 1.00 0.00 WT2 H ATOM 29970 H2 TIP3 3140 71.937 95.937 33.120 1.00 0.00 WT2 H ATOM 29971 OH2 TIP3 3150 32.664 26.555 -3.647 1.00 0.00 WT2 O ATOM 29972 H1 TIP3 3150 33.204 26.553 -2.857 1.00 0.00 WT2 H ATOM 29973 H2 TIP3 3150 32.566 25.630 -3.873 1.00 0.00 WT2 H ATOM 29974 OH2 TIP3 3151 23.084 86.781 -17.585 1.00 0.00 WT2 O ATOM 29975 H1 TIP3 3151 23.716 86.227 -17.129 1.00 0.00 WT2 H ATOM 29976 H2 TIP3 3151 22.752 86.232 -18.296 1.00 0.00 WT2 H ATOM 29977 OH2 TIP3 3152 33.962 39.486 43.698 1.00 0.00 WT2 O ATOM 29978 H1 TIP3 3152 34.799 39.101 43.958 1.00 0.00 WT2 H ATOM 29979 H2 TIP3 3152 33.843 40.227 44.291 1.00 0.00 WT2 H ATOM 29980 OH2 TIP3 3153 80.022 62.318 22.664 1.00 0.00 WT2 O ATOM 29981 H1 TIP3 3153 79.787 62.822 21.884 1.00 0.00 WT2 H ATOM 29982 H2 TIP3 3153 79.270 62.416 23.248 1.00 0.00 WT2 H ATOM 29983 OH2 TIP3 3154 82.364 83.723 31.500 1.00 0.00 WT2 O ATOM 29984 H1 TIP3 3154 82.632 84.641 31.535 1.00 0.00 WT2 H ATOM 29985 H2 TIP3 3154 82.676 83.350 32.325 1.00 0.00 WT2 H ATOM 29986 OH2 TIP3 3157 51.407 74.211 52.945 1.00 0.00 WT2 O ATOM 29987 H1 TIP3 3157 51.825 73.764 53.681 1.00 0.00 WT2 H ATOM 29988 H2 TIP3 3157 50.718 73.611 52.660 1.00 0.00 WT2 H ATOM 29989 OH2 TIP3 3173 46.544 87.512 40.157 1.00 0.00 WT2 O ATOM 29990 H1 TIP3 3173 46.190 88.174 39.564 1.00 0.00 WT2 H ATOM 29991 H2 TIP3 3173 46.776 87.997 40.949 1.00 0.00 WT2 H ATOM 29992 OH2 TIP3 3174 34.763 63.651 35.602 1.00 0.00 WT2 O ATOM 29993 H1 TIP3 3174 35.497 63.678 34.988 1.00 0.00 WT2 H ATOM 29994 H2 TIP3 3174 35.126 63.980 36.424 1.00 0.00 WT2 H ATOM 29995 OH2 TIP3 3176 68.416 23.963 29.406 1.00 0.00 WT2 O ATOM 29996 H1 TIP3 3176 68.302 23.884 28.459 1.00 0.00 WT2 H ATOM 29997 H2 TIP3 3176 69.177 24.534 29.510 1.00 0.00 WT2 H ATOM 29998 OH2 TIP3 3177 83.951 95.787 32.801 1.00 0.00 WT2 O ATOM 29999 H1 TIP3 3177 84.096 95.948 31.869 1.00 0.00 WT2 H ATOM 30000 H2 TIP3 3177 83.294 96.434 33.057 1.00 0.00 WT2 H ATOM 30001 OH2 TIP3 3179 58.643 82.956 45.572 1.00 0.00 WT2 O ATOM 30002 H1 TIP3 3179 58.068 82.193 45.514 1.00 0.00 WT2 H ATOM 30003 H2 TIP3 3179 58.115 83.680 45.235 1.00 0.00 WT2 H ATOM 30004 OH2 TIP3 3187 89.112 66.775 61.683 1.00 0.00 WT2 O ATOM 30005 H1 TIP3 3187 88.221 66.426 61.699 1.00 0.00 WT2 H ATOM 30006 H2 TIP3 3187 89.048 67.617 62.133 1.00 0.00 WT2 H ATOM 30007 OH2 TIP3 3192 32.948 12.809 9.878 1.00 0.00 WT2 O ATOM 30008 H1 TIP3 3192 33.394 12.558 10.688 1.00 0.00 WT2 H ATOM 30009 H2 TIP3 3192 33.529 12.504 9.181 1.00 0.00 WT2 H ATOM 30010 OH2 TIP3 3193 76.714 5.693 64.198 1.00 0.00 WT2 O ATOM 30011 H1 TIP3 3193 76.136 5.251 63.576 1.00 0.00 WT2 H ATOM 30012 H2 TIP3 3193 77.067 6.438 63.711 1.00 0.00 WT2 H ATOM 30013 OH2 TIP3 3195 26.906 56.339 15.531 1.00 0.00 WT2 O ATOM 30014 H1 TIP3 3195 26.720 57.165 15.977 1.00 0.00 WT2 H ATOM 30015 H2 TIP3 3195 27.848 56.211 15.647 1.00 0.00 WT2 H ATOM 30016 OH2 TIP3 3196 59.615 93.360 -1.811 1.00 0.00 WT2 O ATOM 30017 H1 TIP3 3196 59.235 93.030 -0.997 1.00 0.00 WT2 H ATOM 30018 H2 TIP3 3196 58.982 94.006 -2.126 1.00 0.00 WT2 H ATOM 30019 OH2 TIP3 3197 48.404 4.528 59.287 1.00 0.00 WT2 O ATOM 30020 H1 TIP3 3197 48.906 4.059 59.954 1.00 0.00 WT2 H ATOM 30021 H2 TIP3 3197 47.501 4.499 59.604 1.00 0.00 WT2 H ATOM 30022 OH2 TIP3 3198 68.294 86.371 -1.556 1.00 0.00 WT2 O ATOM 30023 H1 TIP3 3198 68.258 86.779 -0.691 1.00 0.00 WT2 H ATOM 30024 H2 TIP3 3198 68.974 86.858 -2.023 1.00 0.00 WT2 H ATOM 30025 OH2 TIP3 3200 33.386 89.461 -7.873 1.00 0.00 WT2 O ATOM 30026 H1 TIP3 3200 33.390 88.540 -7.609 1.00 0.00 WT2 H ATOM 30027 H2 TIP3 3200 33.765 89.926 -7.127 1.00 0.00 WT2 H ATOM 30028 OH2 TIP3 3202 35.542 30.885 7.435 1.00 0.00 WT2 O ATOM 30029 H1 TIP3 3202 36.423 31.082 7.753 1.00 0.00 WT2 H ATOM 30030 H2 TIP3 3202 35.660 30.135 6.852 1.00 0.00 WT2 H ATOM 30031 OH2 TIP3 3214 24.954 30.975 37.750 1.00 0.00 WT2 O ATOM 30032 H1 TIP3 3214 24.965 31.795 37.256 1.00 0.00 WT2 H ATOM 30033 H2 TIP3 3214 24.921 30.292 37.080 1.00 0.00 WT2 H ATOM 30034 OH2 TIP3 3215 27.702 83.762 49.472 1.00 0.00 WT2 O ATOM 30035 H1 TIP3 3215 27.766 83.347 50.332 1.00 0.00 WT2 H ATOM 30036 H2 TIP3 3215 27.239 84.584 49.635 1.00 0.00 WT2 H ATOM 30037 OH2 TIP3 3218 30.532 32.008 2.085 1.00 0.00 WT2 O ATOM 30038 H1 TIP3 3218 29.802 32.439 1.638 1.00 0.00 WT2 H ATOM 30039 H2 TIP3 3218 30.132 31.588 2.847 1.00 0.00 WT2 H ATOM 30040 OH2 TIP3 3220 53.153 52.902 44.540 1.00 0.00 WT2 O ATOM 30041 H1 TIP3 3220 52.827 52.322 43.852 1.00 0.00 WT2 H ATOM 30042 H2 TIP3 3220 53.765 53.486 44.093 1.00 0.00 WT2 H ATOM 30043 OH2 TIP3 3233 35.874 48.572 51.865 1.00 0.00 WT2 O ATOM 30044 H1 TIP3 3233 36.524 48.689 52.558 1.00 0.00 WT2 H ATOM 30045 H2 TIP3 3233 36.090 49.243 51.218 1.00 0.00 WT2 H ATOM 30046 OH2 TIP3 3234 80.424 89.956 -0.493 1.00 0.00 WT2 O ATOM 30047 H1 TIP3 3234 80.091 90.028 0.402 1.00 0.00 WT2 H ATOM 30048 H2 TIP3 3234 81.159 89.345 -0.427 1.00 0.00 WT2 H ATOM 30049 OH2 TIP3 3236 24.138 32.152 17.706 1.00 0.00 WT2 O ATOM 30050 H1 TIP3 3236 24.157 32.936 18.255 1.00 0.00 WT2 H ATOM 30051 H2 TIP3 3236 25.047 32.031 17.430 1.00 0.00 WT2 H ATOM 30052 OH2 TIP3 3237 76.478 78.271 51.318 1.00 0.00 WT2 O ATOM 30053 H1 TIP3 3237 77.189 77.921 51.856 1.00 0.00 WT2 H ATOM 30054 H2 TIP3 3237 75.728 77.710 51.517 1.00 0.00 WT2 H ATOM 30055 OH2 TIP3 3238 26.947 32.390 19.700 1.00 0.00 WT2 O ATOM 30056 H1 TIP3 3238 26.303 33.086 19.830 1.00 0.00 WT2 H ATOM 30057 H2 TIP3 3238 27.784 32.849 19.623 1.00 0.00 WT2 H ATOM 30058 OH2 TIP3 3239 33.424 77.337 -2.036 1.00 0.00 WT2 O ATOM 30059 H1 TIP3 3239 32.508 77.239 -2.296 1.00 0.00 WT2 H ATOM 30060 H2 TIP3 3239 33.917 77.221 -2.848 1.00 0.00 WT2 H ATOM 30061 OH2 TIP3 3240 76.497 65.338 58.355 1.00 0.00 WT2 O ATOM 30062 H1 TIP3 3240 76.119 65.781 57.596 1.00 0.00 WT2 H ATOM 30063 H2 TIP3 3240 77.308 64.950 58.028 1.00 0.00 WT2 H ATOM 30064 OH2 TIP3 3241 67.698 1.986 29.754 1.00 0.00 WT2 O ATOM 30065 H1 TIP3 3241 68.361 1.722 30.392 1.00 0.00 WT2 H ATOM 30066 H2 TIP3 3241 67.958 1.547 28.944 1.00 0.00 WT2 H ATOM 30067 OH2 TIP3 3242 83.407 18.095 53.091 1.00 0.00 WT2 O ATOM 30068 H1 TIP3 3242 83.814 17.589 53.794 1.00 0.00 WT2 H ATOM 30069 H2 TIP3 3242 82.990 17.438 52.533 1.00 0.00 WT2 H ATOM 30070 OH2 TIP3 3243 70.704 37.899 19.436 1.00 0.00 WT2 O ATOM 30071 H1 TIP3 3243 70.809 38.359 18.603 1.00 0.00 WT2 H ATOM 30072 H2 TIP3 3243 70.593 36.980 19.190 1.00 0.00 WT2 H ATOM 30073 OH2 TIP3 3244 53.846 58.628 -4.385 1.00 0.00 WT2 O ATOM 30074 H1 TIP3 3244 53.300 57.858 -4.544 1.00 0.00 WT2 H ATOM 30075 H2 TIP3 3244 53.392 59.105 -3.691 1.00 0.00 WT2 H ATOM 30076 OH2 TIP3 3257 79.072 33.612 67.422 1.00 0.00 WT2 O ATOM 30077 H1 TIP3 3257 79.203 32.670 67.528 1.00 0.00 WT2 H ATOM 30078 H2 TIP3 3257 79.058 33.748 66.475 1.00 0.00 WT2 H ATOM 30079 OH2 TIP3 3258 62.952 54.030 64.386 1.00 0.00 WT2 O ATOM 30080 H1 TIP3 3258 62.131 54.333 63.998 1.00 0.00 WT2 H ATOM 30081 H2 TIP3 3258 62.831 54.152 65.328 1.00 0.00 WT2 H ATOM 30082 OH2 TIP3 3262 90.097 93.717 40.727 1.00 0.00 WT2 O ATOM 30083 H1 TIP3 3262 89.625 93.146 41.333 1.00 0.00 WT2 H ATOM 30084 H2 TIP3 3262 90.489 93.121 40.090 1.00 0.00 WT2 H ATOM 30085 OH2 TIP3 3274 30.960 18.909 -5.759 1.00 0.00 WT2 O ATOM 30086 H1 TIP3 3274 31.500 18.127 -5.871 1.00 0.00 WT2 H ATOM 30087 H2 TIP3 3274 31.584 19.604 -5.549 1.00 0.00 WT2 H ATOM 30088 OH2 TIP3 3275 87.736 37.908 42.649 1.00 0.00 WT2 O ATOM 30089 H1 TIP3 3275 88.498 37.594 43.136 1.00 0.00 WT2 H ATOM 30090 H2 TIP3 3275 87.879 38.851 42.562 1.00 0.00 WT2 H ATOM 30091 OH2 TIP3 3276 39.445 38.652 0.364 1.00 0.00 WT2 O ATOM 30092 H1 TIP3 3276 39.905 38.364 -0.424 1.00 0.00 WT2 H ATOM 30093 H2 TIP3 3276 39.840 38.144 1.072 1.00 0.00 WT2 H ATOM 30094 OH2 TIP3 3277 29.903 43.639 63.336 1.00 0.00 WT2 O ATOM 30095 H1 TIP3 3277 30.201 42.939 63.916 1.00 0.00 WT2 H ATOM 30096 H2 TIP3 3277 29.973 44.435 63.863 1.00 0.00 WT2 H ATOM 30097 OH2 TIP3 3278 57.297 67.534 27.343 1.00 0.00 WT2 O ATOM 30098 H1 TIP3 3278 57.479 66.596 27.286 1.00 0.00 WT2 H ATOM 30099 H2 TIP3 3278 57.017 67.778 26.461 1.00 0.00 WT2 H ATOM 30100 OH2 TIP3 3279 50.290 38.160 64.690 1.00 0.00 WT2 O ATOM 30101 H1 TIP3 3279 50.700 38.875 65.177 1.00 0.00 WT2 H ATOM 30102 H2 TIP3 3279 50.990 37.812 64.138 1.00 0.00 WT2 H ATOM 30103 OH2 TIP3 3280 34.004 81.433 50.055 1.00 0.00 WT2 O ATOM 30104 H1 TIP3 3280 33.550 81.945 49.385 1.00 0.00 WT2 H ATOM 30105 H2 TIP3 3280 34.039 82.012 50.816 1.00 0.00 WT2 H ATOM 30106 OH2 TIP3 3282 34.930 0.997 46.072 1.00 0.00 WT2 O ATOM 30107 H1 TIP3 3282 34.450 0.169 46.097 1.00 0.00 WT2 H ATOM 30108 H2 TIP3 3282 35.486 0.927 45.296 1.00 0.00 WT2 H ATOM 30109 OH2 TIP3 3283 35.926 75.393 29.460 1.00 0.00 WT2 O ATOM 30110 H1 TIP3 3283 36.805 75.450 29.834 1.00 0.00 WT2 H ATOM 30111 H2 TIP3 3283 35.537 74.624 29.876 1.00 0.00 WT2 H ATOM 30112 OH2 TIP3 3284 70.811 45.585 -15.467 1.00 0.00 WT2 O ATOM 30113 H1 TIP3 3284 71.387 44.988 -15.946 1.00 0.00 WT2 H ATOM 30114 H2 TIP3 3284 70.025 45.069 -15.289 1.00 0.00 WT2 H ATOM 30115 OH2 TIP3 3296 76.850 62.215 50.538 1.00 0.00 WT2 O ATOM 30116 H1 TIP3 3296 76.945 62.379 51.477 1.00 0.00 WT2 H ATOM 30117 H2 TIP3 3296 76.875 61.262 50.458 1.00 0.00 WT2 H ATOM 30118 OH2 TIP3 3298 37.785 19.231 25.978 1.00 0.00 WT2 O ATOM 30119 H1 TIP3 3298 36.971 19.722 26.092 1.00 0.00 WT2 H ATOM 30120 H2 TIP3 3298 38.267 19.374 26.793 1.00 0.00 WT2 H ATOM 30121 OH2 TIP3 3301 82.792 4.340 4.673 1.00 0.00 WT2 O ATOM 30122 H1 TIP3 3301 83.010 4.558 5.580 1.00 0.00 WT2 H ATOM 30123 H2 TIP3 3301 83.639 4.204 4.249 1.00 0.00 WT2 H ATOM 30124 OH2 TIP3 3302 84.676 17.726 43.546 1.00 0.00 WT2 O ATOM 30125 H1 TIP3 3302 84.373 16.845 43.766 1.00 0.00 WT2 H ATOM 30126 H2 TIP3 3302 84.575 17.785 42.596 1.00 0.00 WT2 H ATOM 30127 OH2 TIP3 3303 38.076 87.911 46.700 1.00 0.00 WT2 O ATOM 30128 H1 TIP3 3303 37.552 87.408 47.323 1.00 0.00 WT2 H ATOM 30129 H2 TIP3 3303 38.290 88.720 47.164 1.00 0.00 WT2 H ATOM 30130 OH2 TIP3 3304 62.474 23.545 23.352 1.00 0.00 WT2 O ATOM 30131 H1 TIP3 3304 62.272 24.173 22.658 1.00 0.00 WT2 H ATOM 30132 H2 TIP3 3304 61.862 22.823 23.209 1.00 0.00 WT2 H ATOM 30133 OH2 TIP3 3308 46.679 85.942 -2.317 1.00 0.00 WT2 O ATOM 30134 H1 TIP3 3308 46.570 84.996 -2.220 1.00 0.00 WT2 H ATOM 30135 H2 TIP3 3308 47.342 86.175 -1.668 1.00 0.00 WT2 H ATOM 30136 OH2 TIP3 3317 34.049 81.695 7.745 1.00 0.00 WT2 O ATOM 30137 H1 TIP3 3317 34.228 82.095 6.894 1.00 0.00 WT2 H ATOM 30138 H2 TIP3 3317 33.945 80.762 7.554 1.00 0.00 WT2 H ATOM 30139 OH2 TIP3 3319 54.529 15.269 -10.491 1.00 0.00 WT2 O ATOM 30140 H1 TIP3 3319 53.704 14.866 -10.222 1.00 0.00 WT2 H ATOM 30141 H2 TIP3 3319 54.769 15.836 -9.758 1.00 0.00 WT2 H ATOM 30142 OH2 TIP3 3320 50.548 33.071 46.237 1.00 0.00 WT2 O ATOM 30143 H1 TIP3 3320 50.670 33.986 46.487 1.00 0.00 WT2 H ATOM 30144 H2 TIP3 3320 51.310 32.866 45.695 1.00 0.00 WT2 H ATOM 30145 OH2 TIP3 3321 48.914 30.832 -5.341 1.00 0.00 WT2 O ATOM 30146 H1 TIP3 3321 49.463 30.099 -5.060 1.00 0.00 WT2 H ATOM 30147 H2 TIP3 3321 48.482 30.517 -6.135 1.00 0.00 WT2 H ATOM 30148 OH2 TIP3 3322 31.408 16.402 36.658 1.00 0.00 WT2 O ATOM 30149 H1 TIP3 3322 32.277 16.289 36.273 1.00 0.00 WT2 H ATOM 30150 H2 TIP3 3322 31.545 16.283 37.598 1.00 0.00 WT2 H ATOM 30151 OH2 TIP3 3323 65.814 3.770 13.095 1.00 0.00 WT2 O ATOM 30152 H1 TIP3 3323 65.712 4.250 13.917 1.00 0.00 WT2 H ATOM 30153 H2 TIP3 3323 66.344 4.346 12.545 1.00 0.00 WT2 H ATOM 30154 OH2 TIP3 3326 73.434 50.642 -18.577 1.00 0.00 WT2 O ATOM 30155 H1 TIP3 3326 72.515 50.672 -18.312 1.00 0.00 WT2 H ATOM 30156 H2 TIP3 3326 73.444 51.023 -19.455 1.00 0.00 WT2 H ATOM 30157 OH2 TIP3 3337 81.186 19.586 53.983 1.00 0.00 WT2 O ATOM 30158 H1 TIP3 3337 80.867 19.970 53.166 1.00 0.00 WT2 H ATOM 30159 H2 TIP3 3337 81.955 19.078 53.727 1.00 0.00 WT2 H ATOM 30160 OH2 TIP3 3341 20.727 11.879 46.822 1.00 0.00 WT2 O ATOM 30161 H1 TIP3 3341 19.824 12.013 46.533 1.00 0.00 WT2 H ATOM 30162 H2 TIP3 3341 20.862 10.933 46.757 1.00 0.00 WT2 H ATOM 30163 OH2 TIP3 3342 37.974 52.944 63.717 1.00 0.00 WT2 O ATOM 30164 H1 TIP3 3342 37.109 52.607 63.950 1.00 0.00 WT2 H ATOM 30165 H2 TIP3 3342 38.453 52.178 63.401 1.00 0.00 WT2 H ATOM 30166 OH2 TIP3 3344 27.924 36.884 43.001 1.00 0.00 WT2 O ATOM 30167 H1 TIP3 3344 28.461 37.511 43.485 1.00 0.00 WT2 H ATOM 30168 H2 TIP3 3344 27.063 37.299 42.944 1.00 0.00 WT2 H ATOM 30169 OH2 TIP3 3345 65.892 64.621 43.753 1.00 0.00 WT2 O ATOM 30170 H1 TIP3 3345 65.395 65.344 44.136 1.00 0.00 WT2 H ATOM 30171 H2 TIP3 3345 65.638 64.617 42.830 1.00 0.00 WT2 H ATOM 30172 OH2 TIP3 3347 58.674 28.397 -8.140 1.00 0.00 WT2 O ATOM 30173 H1 TIP3 3347 58.441 29.319 -8.245 1.00 0.00 WT2 H ATOM 30174 H2 TIP3 3347 58.042 28.060 -7.505 1.00 0.00 WT2 H ATOM 30175 OH2 TIP3 3348 25.193 49.525 25.886 1.00 0.00 WT2 O ATOM 30176 H1 TIP3 3348 26.127 49.599 25.693 1.00 0.00 WT2 H ATOM 30177 H2 TIP3 3348 24.841 48.994 25.172 1.00 0.00 WT2 H ATOM 30178 OH2 TIP3 3349 21.146 17.863 61.379 1.00 0.00 WT2 O ATOM 30179 H1 TIP3 3349 21.221 17.690 62.317 1.00 0.00 WT2 H ATOM 30180 H2 TIP3 3349 21.541 18.726 61.261 1.00 0.00 WT2 H ATOM 30181 OH2 TIP3 3360 21.332 94.950 37.116 1.00 0.00 WT2 O ATOM 30182 H1 TIP3 3360 20.557 95.460 36.883 1.00 0.00 WT2 H ATOM 30183 H2 TIP3 3360 21.622 95.321 37.949 1.00 0.00 WT2 H ATOM 30184 OH2 TIP3 3361 66.271 89.882 30.151 1.00 0.00 WT2 O ATOM 30185 H1 TIP3 3361 65.937 90.124 31.015 1.00 0.00 WT2 H ATOM 30186 H2 TIP3 3361 66.054 90.628 29.592 1.00 0.00 WT2 H ATOM 30187 OH2 TIP3 3362 80.579 86.908 -19.921 1.00 0.00 WT2 O ATOM 30188 H1 TIP3 3362 79.842 87.378 -19.531 1.00 0.00 WT2 H ATOM 30189 H2 TIP3 3362 81.352 87.393 -19.633 1.00 0.00 WT2 H ATOM 30190 OH2 TIP3 3363 61.190 39.450 4.837 1.00 0.00 WT2 O ATOM 30191 H1 TIP3 3363 61.194 39.933 4.010 1.00 0.00 WT2 H ATOM 30192 H2 TIP3 3363 60.346 39.662 5.234 1.00 0.00 WT2 H ATOM 30193 OH2 TIP3 3364 74.830 83.947 25.003 1.00 0.00 WT2 O ATOM 30194 H1 TIP3 3364 74.391 84.407 24.288 1.00 0.00 WT2 H ATOM 30195 H2 TIP3 3364 75.740 83.873 24.717 1.00 0.00 WT2 H ATOM 30196 OH2 TIP3 3366 24.056 48.602 28.355 1.00 0.00 WT2 O ATOM 30197 H1 TIP3 3366 23.311 48.127 27.987 1.00 0.00 WT2 H ATOM 30198 H2 TIP3 3366 24.477 49.011 27.599 1.00 0.00 WT2 H ATOM 30199 OH2 TIP3 3367 62.108 15.378 -18.390 1.00 0.00 WT2 O ATOM 30200 H1 TIP3 3367 62.522 14.784 -19.016 1.00 0.00 WT2 H ATOM 30201 H2 TIP3 3367 62.734 16.095 -18.289 1.00 0.00 WT2 H ATOM 30202 OH2 TIP3 3381 55.673 6.418 -0.727 1.00 0.00 WT2 O ATOM 30203 H1 TIP3 3381 56.503 6.830 -0.489 1.00 0.00 WT2 H ATOM 30204 H2 TIP3 3381 55.053 6.729 -0.067 1.00 0.00 WT2 H ATOM 30205 OH2 TIP3 3382 24.758 83.626 21.127 1.00 0.00 WT2 O ATOM 30206 H1 TIP3 3382 24.569 83.438 22.046 1.00 0.00 WT2 H ATOM 30207 H2 TIP3 3382 24.267 82.964 20.641 1.00 0.00 WT2 H ATOM 30208 OH2 TIP3 3383 84.752 50.661 -10.672 1.00 0.00 WT2 O ATOM 30209 H1 TIP3 3383 84.561 49.729 -10.568 1.00 0.00 WT2 H ATOM 30210 H2 TIP3 3383 84.439 50.873 -11.552 1.00 0.00 WT2 H ATOM 30211 OH2 TIP3 3384 34.003 47.696 -8.908 1.00 0.00 WT2 O ATOM 30212 H1 TIP3 3384 34.823 47.975 -8.499 1.00 0.00 WT2 H ATOM 30213 H2 TIP3 3384 33.384 48.397 -8.706 1.00 0.00 WT2 H ATOM 30214 OH2 TIP3 3386 64.864 25.828 -0.436 1.00 0.00 WT2 O ATOM 30215 H1 TIP3 3386 65.116 26.170 -1.294 1.00 0.00 WT2 H ATOM 30216 H2 TIP3 3386 65.396 26.326 0.186 1.00 0.00 WT2 H ATOM 30217 OH2 TIP3 3387 65.417 49.628 66.108 1.00 0.00 WT2 O ATOM 30218 H1 TIP3 3387 65.283 49.609 67.055 1.00 0.00 WT2 H ATOM 30219 H2 TIP3 3387 64.535 49.701 65.742 1.00 0.00 WT2 H ATOM 30220 OH2 TIP3 3388 89.546 6.538 -18.911 1.00 0.00 WT2 O ATOM 30221 H1 TIP3 3388 90.326 6.318 -19.421 1.00 0.00 WT2 H ATOM 30222 H2 TIP3 3388 89.864 6.628 -18.013 1.00 0.00 WT2 H ATOM 30223 OH2 TIP3 3389 30.291 59.495 -17.777 1.00 0.00 WT2 O ATOM 30224 H1 TIP3 3389 31.080 59.183 -17.335 1.00 0.00 WT2 H ATOM 30225 H2 TIP3 3389 29.880 58.703 -18.124 1.00 0.00 WT2 H ATOM 30226 OH2 TIP3 3402 31.108 59.270 48.502 1.00 0.00 WT2 O ATOM 30227 H1 TIP3 3402 31.375 58.656 49.185 1.00 0.00 WT2 H ATOM 30228 H2 TIP3 3402 31.758 59.155 47.808 1.00 0.00 WT2 H ATOM 30229 OH2 TIP3 3404 39.411 71.814 35.773 1.00 0.00 WT2 O ATOM 30230 H1 TIP3 3404 39.705 72.725 35.786 1.00 0.00 WT2 H ATOM 30231 H2 TIP3 3404 39.096 71.651 36.662 1.00 0.00 WT2 H ATOM 30232 OH2 TIP3 3405 61.540 73.663 -6.251 1.00 0.00 WT2 O ATOM 30233 H1 TIP3 3405 62.215 73.164 -6.711 1.00 0.00 WT2 H ATOM 30234 H2 TIP3 3405 61.121 73.026 -5.674 1.00 0.00 WT2 H ATOM 30235 OH2 TIP3 3406 28.767 60.495 -11.416 1.00 0.00 WT2 O ATOM 30236 H1 TIP3 3406 28.970 59.590 -11.653 1.00 0.00 WT2 H ATOM 30237 H2 TIP3 3406 28.336 60.428 -10.563 1.00 0.00 WT2 H ATOM 30238 OH2 TIP3 3407 76.576 37.008 53.120 1.00 0.00 WT2 O ATOM 30239 H1 TIP3 3407 75.701 37.315 53.358 1.00 0.00 WT2 H ATOM 30240 H2 TIP3 3407 76.885 36.541 53.896 1.00 0.00 WT2 H ATOM 30241 OH2 TIP3 3408 88.645 51.313 42.121 1.00 0.00 WT2 O ATOM 30242 H1 TIP3 3408 87.746 51.420 41.809 1.00 0.00 WT2 H ATOM 30243 H2 TIP3 3408 88.833 52.124 42.593 1.00 0.00 WT2 H ATOM 30244 OH2 TIP3 3409 60.706 54.419 53.109 1.00 0.00 WT2 O ATOM 30245 H1 TIP3 3409 61.183 53.807 52.548 1.00 0.00 WT2 H ATOM 30246 H2 TIP3 3409 60.005 54.758 52.552 1.00 0.00 WT2 H ATOM 30247 OH2 TIP3 3411 22.932 6.206 61.137 1.00 0.00 WT2 O ATOM 30248 H1 TIP3 3411 23.536 5.945 61.832 1.00 0.00 WT2 H ATOM 30249 H2 TIP3 3411 23.436 6.814 60.596 1.00 0.00 WT2 H ATOM 30250 OH2 TIP3 3422 83.601 47.743 -14.626 1.00 0.00 WT2 O ATOM 30251 H1 TIP3 3422 84.157 47.228 -15.210 1.00 0.00 WT2 H ATOM 30252 H2 TIP3 3422 83.380 48.524 -15.133 1.00 0.00 WT2 H ATOM 30253 OH2 TIP3 3424 49.622 39.273 -9.940 1.00 0.00 WT2 O ATOM 30254 H1 TIP3 3424 49.855 39.871 -9.230 1.00 0.00 WT2 H ATOM 30255 H2 TIP3 3424 50.162 38.497 -9.787 1.00 0.00 WT2 H ATOM 30256 OH2 TIP3 3426 74.796 4.138 55.196 1.00 0.00 WT2 O ATOM 30257 H1 TIP3 3426 74.568 3.661 55.995 1.00 0.00 WT2 H ATOM 30258 H2 TIP3 3426 75.505 3.627 54.806 1.00 0.00 WT2 H ATOM 30259 OH2 TIP3 3427 88.745 36.699 -2.121 1.00 0.00 WT2 O ATOM 30260 H1 TIP3 3427 88.777 37.566 -2.525 1.00 0.00 WT2 H ATOM 30261 H2 TIP3 3427 89.278 36.783 -1.330 1.00 0.00 WT2 H ATOM 30262 OH2 TIP3 3428 88.511 21.433 56.003 1.00 0.00 WT2 O ATOM 30263 H1 TIP3 3428 88.472 22.388 56.064 1.00 0.00 WT2 H ATOM 30264 H2 TIP3 3428 87.600 21.151 56.085 1.00 0.00 WT2 H ATOM 30265 OH2 TIP3 3429 86.571 90.388 -14.325 1.00 0.00 WT2 O ATOM 30266 H1 TIP3 3429 87.370 90.763 -14.696 1.00 0.00 WT2 H ATOM 30267 H2 TIP3 3429 86.135 89.969 -15.067 1.00 0.00 WT2 H ATOM 30268 OH2 TIP3 3430 35.637 56.341 40.640 1.00 0.00 WT2 O ATOM 30269 H1 TIP3 3430 36.414 56.818 40.929 1.00 0.00 WT2 H ATOM 30270 H2 TIP3 3430 35.646 56.422 39.686 1.00 0.00 WT2 H ATOM 30271 OH2 TIP3 3431 87.940 49.397 -1.721 1.00 0.00 WT2 O ATOM 30272 H1 TIP3 3431 87.563 48.930 -0.975 1.00 0.00 WT2 H ATOM 30273 H2 TIP3 3431 87.447 50.216 -1.766 1.00 0.00 WT2 H ATOM 30274 OH2 TIP3 3442 66.744 47.470 -8.927 1.00 0.00 WT2 O ATOM 30275 H1 TIP3 3442 67.112 47.466 -8.043 1.00 0.00 WT2 H ATOM 30276 H2 TIP3 3442 67.413 47.898 -9.462 1.00 0.00 WT2 H ATOM 30277 OH2 TIP3 3444 71.836 27.888 42.475 1.00 0.00 WT2 O ATOM 30278 H1 TIP3 3444 72.586 28.447 42.678 1.00 0.00 WT2 H ATOM 30279 H2 TIP3 3444 71.500 28.229 41.646 1.00 0.00 WT2 H ATOM 30280 OH2 TIP3 3446 40.926 16.879 -19.724 1.00 0.00 WT2 O ATOM 30281 H1 TIP3 3446 41.541 16.631 -19.034 1.00 0.00 WT2 H ATOM 30282 H2 TIP3 3446 40.648 17.764 -19.490 1.00 0.00 WT2 H ATOM 30283 OH2 TIP3 3447 20.457 4.379 43.134 1.00 0.00 WT2 O ATOM 30284 H1 TIP3 3447 21.270 4.358 43.640 1.00 0.00 WT2 H ATOM 30285 H2 TIP3 3447 19.787 4.074 43.745 1.00 0.00 WT2 H ATOM 30286 OH2 TIP3 3449 54.529 65.758 45.369 1.00 0.00 WT2 O ATOM 30287 H1 TIP3 3449 54.007 64.961 45.280 1.00 0.00 WT2 H ATOM 30288 H2 TIP3 3449 53.884 66.457 45.471 1.00 0.00 WT2 H ATOM 30289 OH2 TIP3 3450 31.135 48.997 -17.219 1.00 0.00 WT2 O ATOM 30290 H1 TIP3 3450 30.323 48.515 -17.057 1.00 0.00 WT2 H ATOM 30291 H2 TIP3 3450 31.751 48.653 -16.572 1.00 0.00 WT2 H ATOM 30292 OH2 TIP3 3465 39.071 34.256 62.085 1.00 0.00 WT2 O ATOM 30293 H1 TIP3 3465 39.718 34.956 62.172 1.00 0.00 WT2 H ATOM 30294 H2 TIP3 3465 39.497 33.486 62.462 1.00 0.00 WT2 H ATOM 30295 OH2 TIP3 3466 26.303 60.766 20.244 1.00 0.00 WT2 O ATOM 30296 H1 TIP3 3466 27.196 60.613 19.936 1.00 0.00 WT2 H ATOM 30297 H2 TIP3 3466 26.404 61.368 20.981 1.00 0.00 WT2 H ATOM 30298 OH2 TIP3 3467 74.039 9.769 46.263 1.00 0.00 WT2 O ATOM 30299 H1 TIP3 3467 74.068 8.828 46.434 1.00 0.00 WT2 H ATOM 30300 H2 TIP3 3467 74.761 10.130 46.779 1.00 0.00 WT2 H ATOM 30301 OH2 TIP3 3470 32.235 35.027 33.353 1.00 0.00 WT2 O ATOM 30302 H1 TIP3 3470 31.747 34.255 33.066 1.00 0.00 WT2 H ATOM 30303 H2 TIP3 3470 32.330 35.558 32.562 1.00 0.00 WT2 H ATOM 30304 OH2 TIP3 3471 37.106 92.102 45.026 1.00 0.00 WT2 O ATOM 30305 H1 TIP3 3471 37.249 91.763 44.142 1.00 0.00 WT2 H ATOM 30306 H2 TIP3 3471 37.937 92.514 45.263 1.00 0.00 WT2 H ATOM 30307 OH2 TIP3 3472 47.186 90.089 -4.631 1.00 0.00 WT2 O ATOM 30308 H1 TIP3 3472 46.806 90.800 -5.147 1.00 0.00 WT2 H ATOM 30309 H2 TIP3 3472 46.511 89.871 -3.989 1.00 0.00 WT2 H ATOM 30310 OH2 TIP3 3473 27.897 41.674 17.225 1.00 0.00 WT2 O ATOM 30311 H1 TIP3 3473 28.730 41.846 17.664 1.00 0.00 WT2 H ATOM 30312 H2 TIP3 3473 28.085 40.949 16.629 1.00 0.00 WT2 H ATOM 30313 OH2 TIP3 3484 70.139 72.566 61.958 1.00 0.00 WT2 O ATOM 30314 H1 TIP3 3484 70.574 73.359 62.270 1.00 0.00 WT2 H ATOM 30315 H2 TIP3 3484 70.845 72.031 61.595 1.00 0.00 WT2 H ATOM 30316 OH2 TIP3 3486 36.347 34.546 47.224 1.00 0.00 WT2 O ATOM 30317 H1 TIP3 3486 36.999 35.086 47.671 1.00 0.00 WT2 H ATOM 30318 H2 TIP3 3486 35.760 34.254 47.921 1.00 0.00 WT2 H ATOM 30319 OH2 TIP3 3488 35.313 54.935 27.908 1.00 0.00 WT2 O ATOM 30320 H1 TIP3 3488 35.993 55.593 28.054 1.00 0.00 WT2 H ATOM 30321 H2 TIP3 3488 34.989 55.117 27.026 1.00 0.00 WT2 H ATOM 30322 OH2 TIP3 3489 61.725 58.446 -16.378 1.00 0.00 WT2 O ATOM 30323 H1 TIP3 3489 61.455 58.002 -15.575 1.00 0.00 WT2 H ATOM 30324 H2 TIP3 3489 62.397 59.066 -16.095 1.00 0.00 WT2 H ATOM 30325 OH2 TIP3 3490 29.857 75.887 -10.270 1.00 0.00 WT2 O ATOM 30326 H1 TIP3 3490 30.803 75.812 -10.397 1.00 0.00 WT2 H ATOM 30327 H2 TIP3 3490 29.576 75.004 -10.032 1.00 0.00 WT2 H ATOM 30328 OH2 TIP3 3494 37.789 36.336 48.541 1.00 0.00 WT2 O ATOM 30329 H1 TIP3 3494 38.656 36.005 48.774 1.00 0.00 WT2 H ATOM 30330 H2 TIP3 3494 37.863 37.287 48.627 1.00 0.00 WT2 H ATOM 30331 OH2 TIP3 3495 64.439 22.615 -16.064 1.00 0.00 WT2 O ATOM 30332 H1 TIP3 3495 65.190 22.557 -16.655 1.00 0.00 WT2 H ATOM 30333 H2 TIP3 3495 64.107 23.504 -16.187 1.00 0.00 WT2 H ATOM 30334 OH2 TIP3 3508 32.907 55.536 32.404 1.00 0.00 WT2 O ATOM 30335 H1 TIP3 3508 32.600 55.743 31.521 1.00 0.00 WT2 H ATOM 30336 H2 TIP3 3508 33.846 55.720 32.380 1.00 0.00 WT2 H ATOM 30337 OH2 TIP3 3510 53.719 44.678 51.676 1.00 0.00 WT2 O ATOM 30338 H1 TIP3 3510 54.294 45.237 51.154 1.00 0.00 WT2 H ATOM 30339 H2 TIP3 3510 53.321 45.272 52.313 1.00 0.00 WT2 H ATOM 30340 OH2 TIP3 3511 27.086 68.017 26.783 1.00 0.00 WT2 O ATOM 30341 H1 TIP3 3511 26.158 68.111 26.999 1.00 0.00 WT2 H ATOM 30342 H2 TIP3 3511 27.542 68.169 27.610 1.00 0.00 WT2 H ATOM 30343 OH2 TIP3 3512 90.359 42.747 59.674 1.00 0.00 WT2 O ATOM 30344 H1 TIP3 3512 89.683 42.862 60.342 1.00 0.00 WT2 H ATOM 30345 H2 TIP3 3512 90.954 42.095 60.044 1.00 0.00 WT2 H ATOM 30346 OH2 TIP3 3513 26.297 10.457 -17.503 1.00 0.00 WT2 O ATOM 30347 H1 TIP3 3513 26.022 10.118 -18.355 1.00 0.00 WT2 H ATOM 30348 H2 TIP3 3513 25.511 10.407 -16.959 1.00 0.00 WT2 H ATOM 30349 OH2 TIP3 3514 51.523 81.372 19.281 1.00 0.00 WT2 O ATOM 30350 H1 TIP3 3514 50.830 81.312 19.938 1.00 0.00 WT2 H ATOM 30351 H2 TIP3 3514 52.316 81.553 19.786 1.00 0.00 WT2 H ATOM 30352 OH2 TIP3 3516 58.316 41.364 65.847 1.00 0.00 WT2 O ATOM 30353 H1 TIP3 3516 58.891 41.708 65.163 1.00 0.00 WT2 H ATOM 30354 H2 TIP3 3516 58.079 40.488 65.544 1.00 0.00 WT2 H ATOM 30355 OH2 TIP3 3526 53.329 32.259 -8.929 1.00 0.00 WT2 O ATOM 30356 H1 TIP3 3526 53.962 32.933 -9.177 1.00 0.00 WT2 H ATOM 30357 H2 TIP3 3526 53.390 32.213 -7.975 1.00 0.00 WT2 H ATOM 30358 OH2 TIP3 3527 71.028 94.093 50.872 1.00 0.00 WT2 O ATOM 30359 H1 TIP3 3527 70.087 94.006 51.025 1.00 0.00 WT2 H ATOM 30360 H2 TIP3 3527 71.406 93.292 51.237 1.00 0.00 WT2 H ATOM 30361 OH2 TIP3 3530 35.506 2.568 -6.833 1.00 0.00 WT2 O ATOM 30362 H1 TIP3 3530 36.091 2.705 -7.578 1.00 0.00 WT2 H ATOM 30363 H2 TIP3 3530 34.654 2.385 -7.227 1.00 0.00 WT2 H ATOM 30364 OH2 TIP3 3531 27.245 25.190 4.263 1.00 0.00 WT2 O ATOM 30365 H1 TIP3 3531 26.361 25.448 4.525 1.00 0.00 WT2 H ATOM 30366 H2 TIP3 3531 27.625 25.984 3.887 1.00 0.00 WT2 H ATOM 30367 OH2 TIP3 3533 50.297 71.803 59.630 1.00 0.00 WT2 O ATOM 30368 H1 TIP3 3533 49.448 71.549 59.992 1.00 0.00 WT2 H ATOM 30369 H2 TIP3 3533 50.800 70.990 59.603 1.00 0.00 WT2 H ATOM 30370 OH2 TIP3 3534 60.966 0.459 5.054 1.00 0.00 WT2 O ATOM 30371 H1 TIP3 3534 60.339 1.176 4.959 1.00 0.00 WT2 H ATOM 30372 H2 TIP3 3534 61.647 0.811 5.627 1.00 0.00 WT2 H ATOM 30373 OH2 TIP3 3535 23.079 59.829 61.155 1.00 0.00 WT2 O ATOM 30374 H1 TIP3 3535 23.958 60.190 61.038 1.00 0.00 WT2 H ATOM 30375 H2 TIP3 3535 22.570 60.551 61.522 1.00 0.00 WT2 H ATOM 30376 OH2 TIP3 3536 54.158 75.959 43.712 1.00 0.00 WT2 O ATOM 30377 H1 TIP3 3536 53.653 75.186 43.964 1.00 0.00 WT2 H ATOM 30378 H2 TIP3 3536 53.615 76.397 43.056 1.00 0.00 WT2 H ATOM 30379 OH2 TIP3 3545 89.912 47.625 -1.519 1.00 0.00 WT2 O ATOM 30380 H1 TIP3 3545 89.306 47.246 -0.882 1.00 0.00 WT2 H ATOM 30381 H2 TIP3 3545 89.420 48.340 -1.922 1.00 0.00 WT2 H ATOM 30382 OH2 TIP3 3548 58.883 75.309 53.361 1.00 0.00 WT2 O ATOM 30383 H1 TIP3 3548 58.501 76.144 53.631 1.00 0.00 WT2 H ATOM 30384 H2 TIP3 3548 59.108 75.435 52.440 1.00 0.00 WT2 H ATOM 30385 OH2 TIP3 3549 78.600 80.572 5.243 1.00 0.00 WT2 O ATOM 30386 H1 TIP3 3549 77.932 80.157 5.789 1.00 0.00 WT2 H ATOM 30387 H2 TIP3 3549 78.120 80.899 4.483 1.00 0.00 WT2 H ATOM 30388 OH2 TIP3 3550 47.164 30.404 64.642 1.00 0.00 WT2 O ATOM 30389 H1 TIP3 3550 46.986 29.861 63.874 1.00 0.00 WT2 H ATOM 30390 H2 TIP3 3550 46.729 31.235 64.454 1.00 0.00 WT2 H ATOM 30391 OH2 TIP3 3551 41.024 90.677 53.947 1.00 0.00 WT2 O ATOM 30392 H1 TIP3 3551 41.811 90.147 54.069 1.00 0.00 WT2 H ATOM 30393 H2 TIP3 3551 40.840 90.622 53.009 1.00 0.00 WT2 H ATOM 30394 OH2 TIP3 3554 21.124 34.928 -0.315 1.00 0.00 WT2 O ATOM 30395 H1 TIP3 3554 21.384 35.577 0.338 1.00 0.00 WT2 H ATOM 30396 H2 TIP3 3554 20.356 34.500 0.064 1.00 0.00 WT2 H ATOM 30397 OH2 TIP3 3555 63.511 78.349 12.055 1.00 0.00 WT2 O ATOM 30398 H1 TIP3 3555 63.083 77.738 11.455 1.00 0.00 WT2 H ATOM 30399 H2 TIP3 3555 63.444 77.929 12.913 1.00 0.00 WT2 H ATOM 30400 OH2 TIP3 3559 62.956 90.344 15.219 1.00 0.00 WT2 O ATOM 30401 H1 TIP3 3559 62.974 89.933 14.355 1.00 0.00 WT2 H ATOM 30402 H2 TIP3 3559 63.763 90.050 15.641 1.00 0.00 WT2 H ATOM 30403 OH2 TIP3 3569 38.450 37.243 43.157 1.00 0.00 WT2 O ATOM 30404 H1 TIP3 3569 39.362 36.952 43.187 1.00 0.00 WT2 H ATOM 30405 H2 TIP3 3569 38.043 36.687 42.492 1.00 0.00 WT2 H ATOM 30406 OH2 TIP3 3570 33.983 70.528 33.621 1.00 0.00 WT2 O ATOM 30407 H1 TIP3 3570 34.394 69.721 33.931 1.00 0.00 WT2 H ATOM 30408 H2 TIP3 3570 34.712 71.070 33.320 1.00 0.00 WT2 H ATOM 30409 OH2 TIP3 3572 74.554 0.330 44.762 1.00 0.00 WT2 O ATOM 30410 H1 TIP3 3572 73.883 -0.118 45.276 1.00 0.00 WT2 H ATOM 30411 H2 TIP3 3572 74.066 0.788 44.077 1.00 0.00 WT2 H ATOM 30412 OH2 TIP3 3573 26.199 48.812 47.529 1.00 0.00 WT2 O ATOM 30413 H1 TIP3 3573 26.280 49.721 47.816 1.00 0.00 WT2 H ATOM 30414 H2 TIP3 3573 25.399 48.497 47.950 1.00 0.00 WT2 H ATOM 30415 OH2 TIP3 3574 82.827 35.914 50.226 1.00 0.00 WT2 O ATOM 30416 H1 TIP3 3574 83.499 36.115 50.877 1.00 0.00 WT2 H ATOM 30417 H2 TIP3 3574 82.676 36.744 49.773 1.00 0.00 WT2 H ATOM 30418 OH2 TIP3 3575 31.747 22.024 62.423 1.00 0.00 WT2 O ATOM 30419 H1 TIP3 3575 32.478 21.976 63.038 1.00 0.00 WT2 H ATOM 30420 H2 TIP3 3575 31.818 21.223 61.903 1.00 0.00 WT2 H ATOM 30421 OH2 TIP3 3591 72.592 15.771 -10.381 1.00 0.00 WT2 O ATOM 30422 H1 TIP3 3591 72.228 14.931 -10.658 1.00 0.00 WT2 H ATOM 30423 H2 TIP3 3591 72.713 16.260 -11.195 1.00 0.00 WT2 H ATOM 30424 OH2 TIP3 3593 28.773 26.645 38.788 1.00 0.00 WT2 O ATOM 30425 H1 TIP3 3593 28.024 26.138 38.472 1.00 0.00 WT2 H ATOM 30426 H2 TIP3 3593 28.426 27.153 39.521 1.00 0.00 WT2 H ATOM 30427 OH2 TIP3 3594 32.906 55.081 15.035 1.00 0.00 WT2 O ATOM 30428 H1 TIP3 3594 33.387 54.533 14.414 1.00 0.00 WT2 H ATOM 30429 H2 TIP3 3594 33.587 55.527 15.539 1.00 0.00 WT2 H ATOM 30430 OH2 TIP3 3595 27.708 37.611 -11.433 1.00 0.00 WT2 O ATOM 30431 H1 TIP3 3595 27.207 38.245 -11.947 1.00 0.00 WT2 H ATOM 30432 H2 TIP3 3595 27.290 37.618 -10.572 1.00 0.00 WT2 H ATOM 30433 OH2 TIP3 3596 83.606 33.064 23.371 1.00 0.00 WT2 O ATOM 30434 H1 TIP3 3596 82.783 33.510 23.569 1.00 0.00 WT2 H ATOM 30435 H2 TIP3 3596 83.756 32.493 24.124 1.00 0.00 WT2 H ATOM 30436 OH2 TIP3 3597 54.427 3.937 43.471 1.00 0.00 WT2 O ATOM 30437 H1 TIP3 3597 54.555 4.884 43.539 1.00 0.00 WT2 H ATOM 30438 H2 TIP3 3597 55.310 3.583 43.363 1.00 0.00 WT2 H ATOM 30439 OH2 TIP3 3599 41.866 53.032 13.646 1.00 0.00 WT2 O ATOM 30440 H1 TIP3 3599 42.432 53.802 13.600 1.00 0.00 WT2 H ATOM 30441 H2 TIP3 3599 41.814 52.827 14.579 1.00 0.00 WT2 H ATOM 30442 OH2 TIP3 3612 72.365 21.177 64.520 1.00 0.00 WT2 O ATOM 30443 H1 TIP3 3612 73.174 21.531 64.152 1.00 0.00 WT2 H ATOM 30444 H2 TIP3 3612 72.161 20.421 63.969 1.00 0.00 WT2 H ATOM 30445 OH2 TIP3 3614 42.434 42.981 -18.803 1.00 0.00 WT2 O ATOM 30446 H1 TIP3 3614 43.384 42.889 -18.874 1.00 0.00 WT2 H ATOM 30447 H2 TIP3 3614 42.245 42.810 -17.880 1.00 0.00 WT2 H ATOM 30448 OH2 TIP3 3615 67.027 93.720 63.070 1.00 0.00 WT2 O ATOM 30449 H1 TIP3 3615 66.648 93.012 62.550 1.00 0.00 WT2 H ATOM 30450 H2 TIP3 3615 66.941 93.425 63.976 1.00 0.00 WT2 H ATOM 30451 OH2 TIP3 3619 48.813 91.883 39.863 1.00 0.00 WT2 O ATOM 30452 H1 TIP3 3619 48.236 91.170 40.136 1.00 0.00 WT2 H ATOM 30453 H2 TIP3 3619 48.666 91.963 38.920 1.00 0.00 WT2 H ATOM 30454 OH2 TIP3 3623 50.756 70.368 3.597 1.00 0.00 WT2 O ATOM 30455 H1 TIP3 3623 51.608 70.518 4.006 1.00 0.00 WT2 H ATOM 30456 H2 TIP3 3623 50.345 69.695 4.139 1.00 0.00 WT2 H ATOM 30457 OH2 TIP3 3633 62.834 25.824 55.513 1.00 0.00 WT2 O ATOM 30458 H1 TIP3 3633 62.813 24.970 55.080 1.00 0.00 WT2 H ATOM 30459 H2 TIP3 3633 61.919 26.105 55.533 1.00 0.00 WT2 H ATOM 30460 OH2 TIP3 3634 50.125 6.588 58.863 1.00 0.00 WT2 O ATOM 30461 H1 TIP3 3634 49.264 6.184 58.965 1.00 0.00 WT2 H ATOM 30462 H2 TIP3 3634 50.105 6.979 57.989 1.00 0.00 WT2 H ATOM 30463 OH2 TIP3 3636 61.817 39.214 25.405 1.00 0.00 WT2 O ATOM 30464 H1 TIP3 3636 61.490 39.941 24.876 1.00 0.00 WT2 H ATOM 30465 H2 TIP3 3636 61.040 38.691 25.601 1.00 0.00 WT2 H ATOM 30466 OH2 TIP3 3638 56.063 52.998 62.658 1.00 0.00 WT2 O ATOM 30467 H1 TIP3 3638 56.658 52.624 62.007 1.00 0.00 WT2 H ATOM 30468 H2 TIP3 3638 56.616 53.162 63.422 1.00 0.00 WT2 H ATOM 30469 OH2 TIP3 3639 48.948 18.182 39.452 1.00 0.00 WT2 O ATOM 30470 H1 TIP3 3639 48.026 17.936 39.521 1.00 0.00 WT2 H ATOM 30471 H2 TIP3 3639 48.937 19.040 39.029 1.00 0.00 WT2 H ATOM 30472 OH2 TIP3 3641 49.452 80.242 3.592 1.00 0.00 WT2 O ATOM 30473 H1 TIP3 3641 49.335 79.623 4.312 1.00 0.00 WT2 H ATOM 30474 H2 TIP3 3641 50.396 80.252 3.435 1.00 0.00 WT2 H ATOM 30475 OH2 TIP3 3650 77.986 2.019 41.936 1.00 0.00 WT2 O ATOM 30476 H1 TIP3 3650 77.732 2.643 41.256 1.00 0.00 WT2 H ATOM 30477 H2 TIP3 3650 77.821 2.481 42.759 1.00 0.00 WT2 H ATOM 30478 OH2 TIP3 3651 57.166 6.359 -13.846 1.00 0.00 WT2 O ATOM 30479 H1 TIP3 3651 58.014 6.606 -13.479 1.00 0.00 WT2 H ATOM 30480 H2 TIP3 3651 56.962 5.518 -13.438 1.00 0.00 WT2 H ATOM 30481 OH2 TIP3 3653 72.033 92.284 -17.208 1.00 0.00 WT2 O ATOM 30482 H1 TIP3 3653 71.862 92.293 -16.267 1.00 0.00 WT2 H ATOM 30483 H2 TIP3 3653 72.930 91.959 -17.286 1.00 0.00 WT2 H ATOM 30484 OH2 TIP3 3659 77.631 41.501 61.661 1.00 0.00 WT2 O ATOM 30485 H1 TIP3 3659 78.126 42.261 61.355 1.00 0.00 WT2 H ATOM 30486 H2 TIP3 3659 78.298 40.842 61.853 1.00 0.00 WT2 H ATOM 30487 OH2 TIP3 3660 23.114 84.377 -19.228 1.00 0.00 WT2 O ATOM 30488 H1 TIP3 3660 23.745 83.911 -19.776 1.00 0.00 WT2 H ATOM 30489 H2 TIP3 3660 22.284 83.923 -19.378 1.00 0.00 WT2 H ATOM 30490 OH2 TIP3 3661 72.687 32.634 -8.091 1.00 0.00 WT2 O ATOM 30491 H1 TIP3 3661 72.935 32.419 -7.192 1.00 0.00 WT2 H ATOM 30492 H2 TIP3 3661 73.488 32.501 -8.599 1.00 0.00 WT2 H ATOM 30493 OH2 TIP3 3662 71.665 79.207 25.934 1.00 0.00 WT2 O ATOM 30494 H1 TIP3 3662 71.762 79.044 24.996 1.00 0.00 WT2 H ATOM 30495 H2 TIP3 3662 71.521 80.151 26.000 1.00 0.00 WT2 H ATOM 30496 OH2 TIP3 3674 53.836 92.707 23.968 1.00 0.00 WT2 O ATOM 30497 H1 TIP3 3674 54.470 92.971 24.636 1.00 0.00 WT2 H ATOM 30498 H2 TIP3 3674 52.983 92.849 24.378 1.00 0.00 WT2 H ATOM 30499 OH2 TIP3 3675 74.223 33.997 51.252 1.00 0.00 WT2 O ATOM 30500 H1 TIP3 3675 74.807 34.468 50.657 1.00 0.00 WT2 H ATOM 30501 H2 TIP3 3675 74.764 33.295 51.613 1.00 0.00 WT2 H ATOM 30502 OH2 TIP3 3677 76.296 40.424 44.824 1.00 0.00 WT2 O ATOM 30503 H1 TIP3 3677 77.070 40.357 45.383 1.00 0.00 WT2 H ATOM 30504 H2 TIP3 3677 76.575 40.976 44.093 1.00 0.00 WT2 H ATOM 30505 OH2 TIP3 3681 71.406 36.174 -2.868 1.00 0.00 WT2 O ATOM 30506 H1 TIP3 3681 71.554 35.555 -3.583 1.00 0.00 WT2 H ATOM 30507 H2 TIP3 3681 71.089 36.968 -3.299 1.00 0.00 WT2 H ATOM 30508 OH2 TIP3 3693 56.798 8.471 18.455 1.00 0.00 WT2 O ATOM 30509 H1 TIP3 3693 57.320 8.117 17.735 1.00 0.00 WT2 H ATOM 30510 H2 TIP3 3693 57.422 8.971 18.981 1.00 0.00 WT2 H ATOM 30511 OH2 TIP3 3697 27.612 31.149 47.421 1.00 0.00 WT2 O ATOM 30512 H1 TIP3 3697 27.237 30.268 47.421 1.00 0.00 WT2 H ATOM 30513 H2 TIP3 3697 28.207 31.156 46.671 1.00 0.00 WT2 H ATOM 30514 OH2 TIP3 3698 70.722 55.401 14.205 1.00 0.00 WT2 O ATOM 30515 H1 TIP3 3698 69.924 55.835 14.507 1.00 0.00 WT2 H ATOM 30516 H2 TIP3 3698 70.434 54.528 13.940 1.00 0.00 WT2 H ATOM 30517 OH2 TIP3 3700 48.339 18.656 -4.642 1.00 0.00 WT2 O ATOM 30518 H1 TIP3 3700 47.952 17.851 -4.301 1.00 0.00 WT2 H ATOM 30519 H2 TIP3 3700 49.270 18.453 -4.739 1.00 0.00 WT2 H ATOM 30520 OH2 TIP3 3701 61.062 39.039 54.564 1.00 0.00 WT2 O ATOM 30521 H1 TIP3 3701 61.446 38.209 54.283 1.00 0.00 WT2 H ATOM 30522 H2 TIP3 3701 60.944 39.535 53.754 1.00 0.00 WT2 H ATOM 30523 OH2 TIP3 3702 45.790 44.036 45.303 1.00 0.00 WT2 O ATOM 30524 H1 TIP3 3702 45.683 43.207 45.769 1.00 0.00 WT2 H ATOM 30525 H2 TIP3 3702 46.721 44.241 45.386 1.00 0.00 WT2 H ATOM 30526 OH2 TIP3 3703 30.398 34.534 49.214 1.00 0.00 WT2 O ATOM 30527 H1 TIP3 3703 31.270 34.536 48.819 1.00 0.00 WT2 H ATOM 30528 H2 TIP3 3703 30.054 33.660 49.031 1.00 0.00 WT2 H ATOM 30529 OH2 TIP3 3705 38.123 91.435 58.031 1.00 0.00 WT2 O ATOM 30530 H1 TIP3 3705 37.945 90.629 58.516 1.00 0.00 WT2 H ATOM 30531 H2 TIP3 3705 38.877 91.822 58.476 1.00 0.00 WT2 H ATOM 30532 OH2 TIP3 3708 37.186 90.425 -9.867 1.00 0.00 WT2 O ATOM 30533 H1 TIP3 3708 36.389 90.949 -9.783 1.00 0.00 WT2 H ATOM 30534 H2 TIP3 3708 37.680 90.851 -10.567 1.00 0.00 WT2 H ATOM 30535 OH2 TIP3 3718 62.526 14.613 -5.916 1.00 0.00 WT2 O ATOM 30536 H1 TIP3 3718 62.070 15.345 -6.332 1.00 0.00 WT2 H ATOM 30537 H2 TIP3 3718 62.032 14.449 -5.112 1.00 0.00 WT2 H ATOM 30538 OH2 TIP3 3719 33.280 8.055 66.164 1.00 0.00 WT2 O ATOM 30539 H1 TIP3 3719 32.537 7.452 66.202 1.00 0.00 WT2 H ATOM 30540 H2 TIP3 3719 33.569 8.136 67.073 1.00 0.00 WT2 H ATOM 30541 OH2 TIP3 3720 75.602 50.107 -8.594 1.00 0.00 WT2 O ATOM 30542 H1 TIP3 3720 76.490 50.304 -8.891 1.00 0.00 WT2 H ATOM 30543 H2 TIP3 3720 75.128 50.934 -8.690 1.00 0.00 WT2 H ATOM 30544 OH2 TIP3 3721 53.009 13.872 61.808 1.00 0.00 WT2 O ATOM 30545 H1 TIP3 3721 53.202 14.275 60.962 1.00 0.00 WT2 H ATOM 30546 H2 TIP3 3721 52.564 14.558 62.305 1.00 0.00 WT2 H ATOM 30547 OH2 TIP3 3722 33.597 76.805 67.239 1.00 0.00 WT2 O ATOM 30548 H1 TIP3 3722 33.253 77.593 66.818 1.00 0.00 WT2 H ATOM 30549 H2 TIP3 3722 33.842 76.233 66.512 1.00 0.00 WT2 H ATOM 30550 OH2 TIP3 3723 55.646 80.621 -19.236 1.00 0.00 WT2 O ATOM 30551 H1 TIP3 3723 55.940 79.929 -18.644 1.00 0.00 WT2 H ATOM 30552 H2 TIP3 3723 55.999 80.371 -20.090 1.00 0.00 WT2 H ATOM 30553 OH2 TIP3 3727 27.129 67.636 -10.144 1.00 0.00 WT2 O ATOM 30554 H1 TIP3 3727 26.219 67.585 -10.438 1.00 0.00 WT2 H ATOM 30555 H2 TIP3 3727 27.208 68.509 -9.759 1.00 0.00 WT2 H ATOM 30556 OH2 TIP3 3737 87.924 9.955 -6.683 1.00 0.00 WT2 O ATOM 30557 H1 TIP3 3737 87.889 9.299 -7.379 1.00 0.00 WT2 H ATOM 30558 H2 TIP3 3737 88.048 9.447 -5.881 1.00 0.00 WT2 H ATOM 30559 OH2 TIP3 3740 35.334 42.131 33.205 1.00 0.00 WT2 O ATOM 30560 H1 TIP3 3740 36.246 41.915 33.400 1.00 0.00 WT2 H ATOM 30561 H2 TIP3 3740 35.374 42.620 32.383 1.00 0.00 WT2 H ATOM 30562 OH2 TIP3 3743 88.046 39.953 29.955 1.00 0.00 WT2 O ATOM 30563 H1 TIP3 3743 88.685 40.663 30.015 1.00 0.00 WT2 H ATOM 30564 H2 TIP3 3743 87.737 39.831 30.853 1.00 0.00 WT2 H ATOM 30565 OH2 TIP3 3757 25.019 16.595 48.311 1.00 0.00 WT2 O ATOM 30566 H1 TIP3 3757 24.738 17.077 47.533 1.00 0.00 WT2 H ATOM 30567 H2 TIP3 3757 24.558 15.758 48.253 1.00 0.00 WT2 H ATOM 30568 OH2 TIP3 3758 87.502 15.420 42.296 1.00 0.00 WT2 O ATOM 30569 H1 TIP3 3758 87.288 15.998 41.564 1.00 0.00 WT2 H ATOM 30570 H2 TIP3 3758 88.428 15.210 42.173 1.00 0.00 WT2 H ATOM 30571 OH2 TIP3 3761 75.086 37.317 -8.922 1.00 0.00 WT2 O ATOM 30572 H1 TIP3 3761 74.489 37.426 -9.662 1.00 0.00 WT2 H ATOM 30573 H2 TIP3 3761 74.524 37.043 -8.197 1.00 0.00 WT2 H ATOM 30574 OH2 TIP3 3762 90.490 54.305 60.304 1.00 0.00 WT2 O ATOM 30575 H1 TIP3 3762 89.913 54.756 59.689 1.00 0.00 WT2 H ATOM 30576 H2 TIP3 3762 90.800 54.994 60.892 1.00 0.00 WT2 H ATOM 30577 OH2 TIP3 3763 34.549 35.968 28.368 1.00 0.00 WT2 O ATOM 30578 H1 TIP3 3763 34.990 35.215 27.975 1.00 0.00 WT2 H ATOM 30579 H2 TIP3 3763 33.848 36.184 27.752 1.00 0.00 WT2 H ATOM 30580 OH2 TIP3 3764 47.232 43.957 -19.641 1.00 0.00 WT2 O ATOM 30581 H1 TIP3 3764 46.619 44.211 -18.951 1.00 0.00 WT2 H ATOM 30582 H2 TIP3 3764 47.875 44.665 -19.665 1.00 0.00 WT2 H ATOM 30583 OH2 TIP3 3765 69.822 50.505 -13.207 1.00 0.00 WT2 O ATOM 30584 H1 TIP3 3765 69.849 49.882 -13.933 1.00 0.00 WT2 H ATOM 30585 H2 TIP3 3765 69.399 50.026 -12.495 1.00 0.00 WT2 H ATOM 30586 OH2 TIP3 3770 50.555 27.285 -19.329 1.00 0.00 WT2 O ATOM 30587 H1 TIP3 3770 50.473 27.361 -18.378 1.00 0.00 WT2 H ATOM 30588 H2 TIP3 3770 49.818 27.788 -19.674 1.00 0.00 WT2 H ATOM 30589 OH2 TIP3 3776 61.300 56.765 35.419 1.00 0.00 WT2 O ATOM 30590 H1 TIP3 3776 60.511 57.008 34.933 1.00 0.00 WT2 H ATOM 30591 H2 TIP3 3776 61.913 56.468 34.747 1.00 0.00 WT2 H ATOM 30592 OH2 TIP3 3779 32.333 38.008 64.829 1.00 0.00 WT2 O ATOM 30593 H1 TIP3 3779 31.634 37.364 64.951 1.00 0.00 WT2 H ATOM 30594 H2 TIP3 3779 32.925 37.602 64.196 1.00 0.00 WT2 H ATOM 30595 OH2 TIP3 3783 38.897 19.190 22.831 1.00 0.00 WT2 O ATOM 30596 H1 TIP3 3783 39.591 19.588 22.306 1.00 0.00 WT2 H ATOM 30597 H2 TIP3 3783 39.239 19.194 23.725 1.00 0.00 WT2 H ATOM 30598 OH2 TIP3 3784 21.490 53.503 13.040 1.00 0.00 WT2 O ATOM 30599 H1 TIP3 3784 21.366 52.660 12.604 1.00 0.00 WT2 H ATOM 30600 H2 TIP3 3784 22.220 53.358 13.641 1.00 0.00 WT2 H ATOM 30601 OH2 TIP3 3785 86.778 6.661 51.699 1.00 0.00 WT2 O ATOM 30602 H1 TIP3 3785 85.951 7.142 51.730 1.00 0.00 WT2 H ATOM 30603 H2 TIP3 3785 86.733 6.058 52.441 1.00 0.00 WT2 H ATOM 30604 OH2 TIP3 3786 51.524 86.143 -15.127 1.00 0.00 WT2 O ATOM 30605 H1 TIP3 3786 50.741 85.720 -14.773 1.00 0.00 WT2 H ATOM 30606 H2 TIP3 3786 52.247 85.766 -14.626 1.00 0.00 WT2 H ATOM 30607 OH2 TIP3 3798 36.411 36.773 40.633 1.00 0.00 WT2 O ATOM 30608 H1 TIP3 3798 35.480 36.552 40.617 1.00 0.00 WT2 H ATOM 30609 H2 TIP3 3798 36.476 37.489 41.265 1.00 0.00 WT2 H ATOM 30610 OH2 TIP3 3800 44.613 54.448 -2.390 1.00 0.00 WT2 O ATOM 30611 H1 TIP3 3800 44.947 53.706 -1.887 1.00 0.00 WT2 H ATOM 30612 H2 TIP3 3800 44.039 54.912 -1.781 1.00 0.00 WT2 H ATOM 30613 OH2 TIP3 3801 44.500 33.753 44.839 1.00 0.00 WT2 O ATOM 30614 H1 TIP3 3801 44.742 33.657 43.918 1.00 0.00 WT2 H ATOM 30615 H2 TIP3 3801 45.127 34.387 45.187 1.00 0.00 WT2 H ATOM 30616 OH2 TIP3 3802 33.873 30.698 57.100 1.00 0.00 WT2 O ATOM 30617 H1 TIP3 3802 34.495 31.390 57.322 1.00 0.00 WT2 H ATOM 30618 H2 TIP3 3802 34.106 30.443 56.207 1.00 0.00 WT2 H ATOM 30619 OH2 TIP3 3804 55.938 21.456 -10.692 1.00 0.00 WT2 O ATOM 30620 H1 TIP3 3804 55.099 21.728 -10.318 1.00 0.00 WT2 H ATOM 30621 H2 TIP3 3804 55.713 21.093 -11.548 1.00 0.00 WT2 H ATOM 30622 OH2 TIP3 3805 49.688 90.265 60.799 1.00 0.00 WT2 O ATOM 30623 H1 TIP3 3805 50.086 91.135 60.754 1.00 0.00 WT2 H ATOM 30624 H2 TIP3 3805 50.181 89.742 60.167 1.00 0.00 WT2 H ATOM 30625 OH2 TIP3 3806 31.933 88.872 46.451 1.00 0.00 WT2 O ATOM 30626 H1 TIP3 3806 31.437 88.154 46.843 1.00 0.00 WT2 H ATOM 30627 H2 TIP3 3806 32.054 88.609 45.538 1.00 0.00 WT2 H ATOM 30628 OH2 TIP3 3807 83.720 92.123 0.081 1.00 0.00 WT2 O ATOM 30629 H1 TIP3 3807 83.577 91.415 -0.547 1.00 0.00 WT2 H ATOM 30630 H2 TIP3 3807 82.841 92.424 0.308 1.00 0.00 WT2 H ATOM 30631 OH2 TIP3 3808 79.389 58.078 -12.162 1.00 0.00 WT2 O ATOM 30632 H1 TIP3 3808 78.759 58.423 -12.795 1.00 0.00 WT2 H ATOM 30633 H2 TIP3 3808 78.870 57.908 -11.376 1.00 0.00 WT2 H ATOM 30634 OH2 TIP3 3809 76.433 73.903 47.078 1.00 0.00 WT2 O ATOM 30635 H1 TIP3 3809 76.899 74.736 47.156 1.00 0.00 WT2 H ATOM 30636 H2 TIP3 3809 76.230 73.828 46.145 1.00 0.00 WT2 H ATOM 30637 OH2 TIP3 3821 39.701 50.664 31.642 1.00 0.00 WT2 O ATOM 30638 H1 TIP3 3821 40.183 51.074 32.361 1.00 0.00 WT2 H ATOM 30639 H2 TIP3 3821 40.279 50.752 30.884 1.00 0.00 WT2 H ATOM 30640 OH2 TIP3 3823 27.345 44.379 33.108 1.00 0.00 WT2 O ATOM 30641 H1 TIP3 3823 26.624 44.264 33.727 1.00 0.00 WT2 H ATOM 30642 H2 TIP3 3823 27.320 45.308 32.880 1.00 0.00 WT2 H ATOM 30643 OH2 TIP3 3826 63.057 25.588 -17.220 1.00 0.00 WT2 O ATOM 30644 H1 TIP3 3826 62.227 26.043 -17.361 1.00 0.00 WT2 H ATOM 30645 H2 TIP3 3826 63.681 26.047 -17.783 1.00 0.00 WT2 H ATOM 30646 OH2 TIP3 3827 73.755 17.738 42.466 1.00 0.00 WT2 O ATOM 30647 H1 TIP3 3827 73.401 18.029 41.626 1.00 0.00 WT2 H ATOM 30648 H2 TIP3 3827 73.122 17.094 42.783 1.00 0.00 WT2 H ATOM 30649 OH2 TIP3 3828 27.183 17.489 40.873 1.00 0.00 WT2 O ATOM 30650 H1 TIP3 3828 27.871 17.335 41.519 1.00 0.00 WT2 H ATOM 30651 H2 TIP3 3828 26.521 16.825 41.064 1.00 0.00 WT2 H ATOM 30652 OH2 TIP3 3829 78.584 26.362 44.740 1.00 0.00 WT2 O ATOM 30653 H1 TIP3 3829 78.269 26.534 43.853 1.00 0.00 WT2 H ATOM 30654 H2 TIP3 3829 78.522 25.412 44.836 1.00 0.00 WT2 H ATOM 30655 OH2 TIP3 3845 31.655 30.467 19.992 1.00 0.00 WT2 O ATOM 30656 H1 TIP3 3845 31.395 30.159 20.860 1.00 0.00 WT2 H ATOM 30657 H2 TIP3 3845 32.089 29.714 19.590 1.00 0.00 WT2 H ATOM 30658 OH2 TIP3 3846 49.553 2.473 6.424 1.00 0.00 WT2 O ATOM 30659 H1 TIP3 3846 49.714 2.096 7.289 1.00 0.00 WT2 H ATOM 30660 H2 TIP3 3846 48.667 2.830 6.480 1.00 0.00 WT2 H ATOM 30661 OH2 TIP3 3847 28.033 40.630 -15.865 1.00 0.00 WT2 O ATOM 30662 H1 TIP3 3847 27.599 41.362 -15.427 1.00 0.00 WT2 H ATOM 30663 H2 TIP3 3847 28.933 40.655 -15.541 1.00 0.00 WT2 H ATOM 30664 OH2 TIP3 3848 82.222 63.283 -12.198 1.00 0.00 WT2 O ATOM 30665 H1 TIP3 3848 82.646 62.532 -12.613 1.00 0.00 WT2 H ATOM 30666 H2 TIP3 3848 81.291 63.065 -12.201 1.00 0.00 WT2 H ATOM 30667 OH2 TIP3 3849 33.810 40.727 12.387 1.00 0.00 WT2 O ATOM 30668 H1 TIP3 3849 33.637 41.457 12.981 1.00 0.00 WT2 H ATOM 30669 H2 TIP3 3849 34.164 41.138 11.598 1.00 0.00 WT2 H ATOM 30670 OH2 TIP3 3853 37.424 60.574 12.401 1.00 0.00 WT2 O ATOM 30671 H1 TIP3 3853 38.022 61.244 12.070 1.00 0.00 WT2 H ATOM 30672 H2 TIP3 3853 37.820 60.284 13.223 1.00 0.00 WT2 H ATOM 30673 OH2 TIP3 3863 37.239 52.903 -9.667 1.00 0.00 WT2 O ATOM 30674 H1 TIP3 3863 37.628 53.777 -9.703 1.00 0.00 WT2 H ATOM 30675 H2 TIP3 3863 36.955 52.804 -8.758 1.00 0.00 WT2 H ATOM 30676 OH2 TIP3 3867 35.923 10.499 -5.641 1.00 0.00 WT2 O ATOM 30677 H1 TIP3 3867 35.270 9.978 -6.108 1.00 0.00 WT2 H ATOM 30678 H2 TIP3 3867 36.754 10.269 -6.058 1.00 0.00 WT2 H ATOM 30679 OH2 TIP3 3868 37.566 18.204 41.332 1.00 0.00 WT2 O ATOM 30680 H1 TIP3 3868 37.461 18.046 40.394 1.00 0.00 WT2 H ATOM 30681 H2 TIP3 3868 37.905 19.098 41.388 1.00 0.00 WT2 H ATOM 30682 OH2 TIP3 3869 67.260 55.502 39.861 1.00 0.00 WT2 O ATOM 30683 H1 TIP3 3869 67.973 55.717 40.462 1.00 0.00 WT2 H ATOM 30684 H2 TIP3 3869 66.830 56.339 39.689 1.00 0.00 WT2 H ATOM 30685 OH2 TIP3 3873 29.069 92.875 24.489 1.00 0.00 WT2 O ATOM 30686 H1 TIP3 3873 28.774 92.742 25.389 1.00 0.00 WT2 H ATOM 30687 H2 TIP3 3873 30.008 93.044 24.566 1.00 0.00 WT2 H ATOM 30688 OH2 TIP3 3875 48.195 76.097 -11.911 1.00 0.00 WT2 O ATOM 30689 H1 TIP3 3875 47.299 76.414 -11.798 1.00 0.00 WT2 H ATOM 30690 H2 TIP3 3875 48.179 75.624 -12.742 1.00 0.00 WT2 H ATOM 30691 OH2 TIP3 3882 32.771 93.705 64.313 1.00 0.00 WT2 O ATOM 30692 H1 TIP3 3882 32.714 93.846 63.368 1.00 0.00 WT2 H ATOM 30693 H2 TIP3 3882 31.875 93.496 64.579 1.00 0.00 WT2 H ATOM 30694 OH2 TIP3 3886 23.290 75.158 47.731 1.00 0.00 WT2 O ATOM 30695 H1 TIP3 3886 22.457 74.917 47.325 1.00 0.00 WT2 H ATOM 30696 H2 TIP3 3886 23.953 74.885 47.096 1.00 0.00 WT2 H ATOM 30697 OH2 TIP3 3888 70.209 69.511 4.637 1.00 0.00 WT2 O ATOM 30698 H1 TIP3 3888 69.895 69.207 3.786 1.00 0.00 WT2 H ATOM 30699 H2 TIP3 3888 69.913 68.843 5.255 1.00 0.00 WT2 H ATOM 30700 OH2 TIP3 3889 57.259 62.566 -19.598 1.00 0.00 WT2 O ATOM 30701 H1 TIP3 3889 56.427 62.118 -19.747 1.00 0.00 WT2 H ATOM 30702 H2 TIP3 3889 57.866 61.868 -19.352 1.00 0.00 WT2 H ATOM 30703 OH2 TIP3 3891 39.226 71.569 52.377 1.00 0.00 WT2 O ATOM 30704 H1 TIP3 3891 39.094 70.671 52.680 1.00 0.00 WT2 H ATOM 30705 H2 TIP3 3891 38.349 71.954 52.379 1.00 0.00 WT2 H ATOM 30706 OH2 TIP3 3892 90.166 26.577 51.354 1.00 0.00 WT2 O ATOM 30707 H1 TIP3 3892 90.289 27.414 50.908 1.00 0.00 WT2 H ATOM 30708 H2 TIP3 3892 90.618 25.941 50.799 1.00 0.00 WT2 H ATOM 30709 OH2 TIP3 3907 83.535 68.492 54.854 1.00 0.00 WT2 O ATOM 30710 H1 TIP3 3907 83.454 69.380 55.203 1.00 0.00 WT2 H ATOM 30711 H2 TIP3 3907 84.186 68.567 54.156 1.00 0.00 WT2 H ATOM 30712 OH2 TIP3 3909 78.553 95.173 -5.545 1.00 0.00 WT2 O ATOM 30713 H1 TIP3 3909 78.360 94.245 -5.414 1.00 0.00 WT2 H ATOM 30714 H2 TIP3 3909 78.969 95.212 -6.407 1.00 0.00 WT2 H ATOM 30715 OH2 TIP3 3911 81.964 57.047 51.672 1.00 0.00 WT2 O ATOM 30716 H1 TIP3 3911 82.073 57.975 51.464 1.00 0.00 WT2 H ATOM 30717 H2 TIP3 3911 82.574 56.597 51.087 1.00 0.00 WT2 H ATOM 30718 OH2 TIP3 3912 78.748 42.398 -2.400 1.00 0.00 WT2 O ATOM 30719 H1 TIP3 3912 78.014 42.725 -2.921 1.00 0.00 WT2 H ATOM 30720 H2 TIP3 3912 78.654 42.833 -1.553 1.00 0.00 WT2 H ATOM 30721 OH2 TIP3 3925 47.927 46.733 0.725 1.00 0.00 WT2 O ATOM 30722 H1 TIP3 3925 47.584 47.497 1.189 1.00 0.00 WT2 H ATOM 30723 H2 TIP3 3925 48.721 46.498 1.205 1.00 0.00 WT2 H ATOM 30724 OH2 TIP3 3928 75.135 37.574 20.241 1.00 0.00 WT2 O ATOM 30725 H1 TIP3 3928 74.630 36.776 20.397 1.00 0.00 WT2 H ATOM 30726 H2 TIP3 3928 74.532 38.286 20.458 1.00 0.00 WT2 H ATOM 30727 OH2 TIP3 3929 47.546 33.885 37.325 1.00 0.00 WT2 O ATOM 30728 H1 TIP3 3929 47.032 34.507 37.840 1.00 0.00 WT2 H ATOM 30729 H2 TIP3 3929 47.845 34.389 36.568 1.00 0.00 WT2 H ATOM 30730 OH2 TIP3 3930 51.990 14.269 22.142 1.00 0.00 WT2 O ATOM 30731 H1 TIP3 3930 51.067 14.118 21.940 1.00 0.00 WT2 H ATOM 30732 H2 TIP3 3930 52.094 15.220 22.094 1.00 0.00 WT2 H ATOM 30733 OH2 TIP3 3931 89.933 24.218 60.461 1.00 0.00 WT2 O ATOM 30734 H1 TIP3 3931 89.728 23.827 61.310 1.00 0.00 WT2 H ATOM 30735 H2 TIP3 3931 89.723 23.535 59.824 1.00 0.00 WT2 H ATOM 30736 OH2 TIP3 3932 57.859 51.043 64.951 1.00 0.00 WT2 O ATOM 30737 H1 TIP3 3932 57.051 51.553 65.021 1.00 0.00 WT2 H ATOM 30738 H2 TIP3 3932 57.571 50.131 64.992 1.00 0.00 WT2 H ATOM 30739 OH2 TIP3 3933 73.416 12.121 -17.372 1.00 0.00 WT2 O ATOM 30740 H1 TIP3 3933 72.995 12.871 -17.791 1.00 0.00 WT2 H ATOM 30741 H2 TIP3 3933 72.698 11.515 -17.188 1.00 0.00 WT2 H ATOM 30742 OH2 TIP3 3934 71.553 73.616 59.033 1.00 0.00 WT2 O ATOM 30743 H1 TIP3 3934 71.488 74.538 58.785 1.00 0.00 WT2 H ATOM 30744 H2 TIP3 3934 70.645 73.335 59.149 1.00 0.00 WT2 H ATOM 30745 OH2 TIP3 3949 32.525 51.171 61.416 1.00 0.00 WT2 O ATOM 30746 H1 TIP3 3949 32.105 51.732 62.068 1.00 0.00 WT2 H ATOM 30747 H2 TIP3 3949 33.358 50.922 61.816 1.00 0.00 WT2 H ATOM 30748 OH2 TIP3 3951 85.346 67.571 -0.118 1.00 0.00 WT2 O ATOM 30749 H1 TIP3 3951 85.443 66.619 -0.101 1.00 0.00 WT2 H ATOM 30750 H2 TIP3 3951 84.994 67.792 0.745 1.00 0.00 WT2 H ATOM 30751 OH2 TIP3 3955 51.988 58.876 13.672 1.00 0.00 WT2 O ATOM 30752 H1 TIP3 3955 51.719 58.650 14.562 1.00 0.00 WT2 H ATOM 30753 H2 TIP3 3955 51.504 59.676 13.470 1.00 0.00 WT2 H ATOM 30754 OH2 TIP3 3956 62.035 94.278 -4.065 1.00 0.00 WT2 O ATOM 30755 H1 TIP3 3956 61.785 94.571 -4.941 1.00 0.00 WT2 H ATOM 30756 H2 TIP3 3956 61.234 94.360 -3.547 1.00 0.00 WT2 H ATOM 30757 OH2 TIP3 3971 44.311 51.894 -14.095 1.00 0.00 WT2 O ATOM 30758 H1 TIP3 3971 43.621 52.262 -13.544 1.00 0.00 WT2 H ATOM 30759 H2 TIP3 3971 45.105 52.357 -13.828 1.00 0.00 WT2 H ATOM 30760 OH2 TIP3 3972 36.817 12.923 59.667 1.00 0.00 WT2 O ATOM 30761 H1 TIP3 3972 37.515 12.278 59.556 1.00 0.00 WT2 H ATOM 30762 H2 TIP3 3972 36.941 13.538 58.944 1.00 0.00 WT2 H ATOM 30763 OH2 TIP3 3973 72.998 93.662 -11.322 1.00 0.00 WT2 O ATOM 30764 H1 TIP3 3973 72.669 94.009 -10.493 1.00 0.00 WT2 H ATOM 30765 H2 TIP3 3973 72.999 92.712 -11.202 1.00 0.00 WT2 H ATOM 30766 OH2 TIP3 3974 67.062 4.715 -3.147 1.00 0.00 WT2 O ATOM 30767 H1 TIP3 3974 66.474 5.444 -2.952 1.00 0.00 WT2 H ATOM 30768 H2 TIP3 3974 67.676 4.699 -2.413 1.00 0.00 WT2 H ATOM 30769 OH2 TIP3 3975 32.834 37.939 27.183 1.00 0.00 WT2 O ATOM 30770 H1 TIP3 3975 33.656 38.340 27.466 1.00 0.00 WT2 H ATOM 30771 H2 TIP3 3975 32.594 38.419 26.390 1.00 0.00 WT2 H ATOM 30772 OH2 TIP3 3976 60.952 2.710 37.856 1.00 0.00 WT2 O ATOM 30773 H1 TIP3 3976 61.887 2.510 37.900 1.00 0.00 WT2 H ATOM 30774 H2 TIP3 3976 60.908 3.563 37.425 1.00 0.00 WT2 H ATOM 30775 OH2 TIP3 3977 82.683 2.448 -18.983 1.00 0.00 WT2 O ATOM 30776 H1 TIP3 3977 82.286 2.943 -18.267 1.00 0.00 WT2 H ATOM 30777 H2 TIP3 3977 82.151 1.656 -19.053 1.00 0.00 WT2 H ATOM 30778 OH2 TIP3 3978 41.495 82.430 25.114 1.00 0.00 WT2 O ATOM 30779 H1 TIP3 3978 41.997 81.634 24.939 1.00 0.00 WT2 H ATOM 30780 H2 TIP3 3978 40.617 82.237 24.784 1.00 0.00 WT2 H ATOM 30781 OH2 TIP3 3986 72.591 2.789 45.101 1.00 0.00 WT2 O ATOM 30782 H1 TIP3 3986 72.330 3.671 44.838 1.00 0.00 WT2 H ATOM 30783 H2 TIP3 3986 72.795 2.867 46.033 1.00 0.00 WT2 H ATOM 30784 OH2 TIP3 3991 78.388 76.374 9.040 1.00 0.00 WT2 O ATOM 30785 H1 TIP3 3991 79.310 76.316 9.293 1.00 0.00 WT2 H ATOM 30786 H2 TIP3 3991 77.960 76.790 9.789 1.00 0.00 WT2 H ATOM 30787 OH2 TIP3 3992 34.304 70.827 50.403 1.00 0.00 WT2 O ATOM 30788 H1 TIP3 3992 34.695 69.995 50.136 1.00 0.00 WT2 H ATOM 30789 H2 TIP3 3992 34.444 70.865 51.349 1.00 0.00 WT2 H ATOM 30790 OH2 TIP3 3993 43.856 14.384 65.202 1.00 0.00 WT2 O ATOM 30791 H1 TIP3 3993 43.946 14.632 66.122 1.00 0.00 WT2 H ATOM 30792 H2 TIP3 3993 42.926 14.503 65.010 1.00 0.00 WT2 H ATOM 30793 OH2 TIP3 3994 86.042 11.550 -10.767 1.00 0.00 WT2 O ATOM 30794 H1 TIP3 3994 86.068 11.367 -9.828 1.00 0.00 WT2 H ATOM 30795 H2 TIP3 3994 86.198 12.492 -10.832 1.00 0.00 WT2 H ATOM 30796 OH2 TIP3 3995 24.270 17.945 34.946 1.00 0.00 WT2 O ATOM 30797 H1 TIP3 3995 23.533 18.107 34.356 1.00 0.00 WT2 H ATOM 30798 H2 TIP3 3995 24.373 18.764 35.430 1.00 0.00 WT2 H ATOM 30799 OH2 TIP3 3996 38.277 77.527 16.965 1.00 0.00 WT2 O ATOM 30800 H1 TIP3 3996 37.570 77.426 17.602 1.00 0.00 WT2 H ATOM 30801 H2 TIP3 3996 37.830 77.685 16.133 1.00 0.00 WT2 H ATOM 30802 OH2 TIP3 4009 30.487 15.451 31.863 1.00 0.00 WT2 O ATOM 30803 H1 TIP3 4009 30.115 16.155 31.332 1.00 0.00 WT2 H ATOM 30804 H2 TIP3 4009 30.501 15.803 32.753 1.00 0.00 WT2 H ATOM 30805 OH2 TIP3 4010 36.240 39.674 -2.160 1.00 0.00 WT2 O ATOM 30806 H1 TIP3 4010 37.088 40.072 -1.966 1.00 0.00 WT2 H ATOM 30807 H2 TIP3 4010 35.740 40.370 -2.586 1.00 0.00 WT2 H ATOM 30808 OH2 TIP3 4011 41.466 65.184 36.529 1.00 0.00 WT2 O ATOM 30809 H1 TIP3 4011 42.235 65.675 36.817 1.00 0.00 WT2 H ATOM 30810 H2 TIP3 4011 41.603 65.050 35.592 1.00 0.00 WT2 H ATOM 30811 OH2 TIP3 4012 28.743 49.408 1.724 1.00 0.00 WT2 O ATOM 30812 H1 TIP3 4012 29.438 50.028 1.503 1.00 0.00 WT2 H ATOM 30813 H2 TIP3 4012 28.262 49.832 2.435 1.00 0.00 WT2 H ATOM 30814 OH2 TIP3 4014 52.381 7.446 -10.849 1.00 0.00 WT2 O ATOM 30815 H1 TIP3 4014 53.320 7.258 -10.841 1.00 0.00 WT2 H ATOM 30816 H2 TIP3 4014 51.964 6.585 -10.821 1.00 0.00 WT2 H ATOM 30817 OH2 TIP3 4015 75.265 81.356 4.841 1.00 0.00 WT2 O ATOM 30818 H1 TIP3 4015 74.786 82.002 5.361 1.00 0.00 WT2 H ATOM 30819 H2 TIP3 4015 75.829 81.878 4.270 1.00 0.00 WT2 H ATOM 30820 OH2 TIP3 4016 27.200 8.849 9.122 1.00 0.00 WT2 O ATOM 30821 H1 TIP3 4016 27.606 8.698 8.268 1.00 0.00 WT2 H ATOM 30822 H2 TIP3 4016 27.700 9.572 9.501 1.00 0.00 WT2 H ATOM 30823 OH2 TIP3 4017 38.885 50.501 62.656 1.00 0.00 WT2 O ATOM 30824 H1 TIP3 4017 38.436 50.196 61.868 1.00 0.00 WT2 H ATOM 30825 H2 TIP3 4017 39.815 50.468 62.431 1.00 0.00 WT2 H ATOM 30826 OH2 TIP3 4021 81.255 89.748 67.027 1.00 0.00 WT2 O ATOM 30827 H1 TIP3 4021 81.165 90.176 66.176 1.00 0.00 WT2 H ATOM 30828 H2 TIP3 4021 80.416 89.898 67.462 1.00 0.00 WT2 H ATOM 30829 OH2 TIP3 4022 22.971 91.386 -16.158 1.00 0.00 WT2 O ATOM 30830 H1 TIP3 4022 22.960 90.571 -16.660 1.00 0.00 WT2 H ATOM 30831 H2 TIP3 4022 23.151 91.112 -15.259 1.00 0.00 WT2 H ATOM 30832 OH2 TIP3 4030 88.394 87.880 53.278 1.00 0.00 WT2 O ATOM 30833 H1 TIP3 4030 88.806 88.475 53.904 1.00 0.00 WT2 H ATOM 30834 H2 TIP3 4030 87.481 87.828 53.561 1.00 0.00 WT2 H ATOM 30835 OH2 TIP3 4033 59.759 7.088 58.495 1.00 0.00 WT2 O ATOM 30836 H1 TIP3 4033 60.504 6.507 58.341 1.00 0.00 WT2 H ATOM 30837 H2 TIP3 4033 58.994 6.515 58.451 1.00 0.00 WT2 H ATOM 30838 OH2 TIP3 4035 34.923 92.496 16.623 1.00 0.00 WT2 O ATOM 30839 H1 TIP3 4035 35.564 92.565 17.331 1.00 0.00 WT2 H ATOM 30840 H2 TIP3 4035 35.234 93.109 15.957 1.00 0.00 WT2 H ATOM 30841 OH2 TIP3 4036 89.946 84.858 -7.175 1.00 0.00 WT2 O ATOM 30842 H1 TIP3 4036 90.618 85.478 -6.889 1.00 0.00 WT2 H ATOM 30843 H2 TIP3 4036 90.276 84.003 -6.899 1.00 0.00 WT2 H ATOM 30844 OH2 TIP3 4037 30.914 75.932 65.785 1.00 0.00 WT2 O ATOM 30845 H1 TIP3 4037 31.249 75.730 66.659 1.00 0.00 WT2 H ATOM 30846 H2 TIP3 4037 31.247 75.225 65.232 1.00 0.00 WT2 H ATOM 30847 OH2 TIP3 4040 37.938 27.041 64.279 1.00 0.00 WT2 O ATOM 30848 H1 TIP3 4040 37.841 26.102 64.435 1.00 0.00 WT2 H ATOM 30849 H2 TIP3 4040 38.624 27.105 63.615 1.00 0.00 WT2 H ATOM 30850 OH2 TIP3 4053 62.030 2.796 48.854 1.00 0.00 WT2 O ATOM 30851 H1 TIP3 4053 62.960 2.661 48.669 1.00 0.00 WT2 H ATOM 30852 H2 TIP3 4053 61.889 2.368 49.699 1.00 0.00 WT2 H ATOM 30853 OH2 TIP3 4054 73.888 83.492 -10.402 1.00 0.00 WT2 O ATOM 30854 H1 TIP3 4054 72.988 83.190 -10.529 1.00 0.00 WT2 H ATOM 30855 H2 TIP3 4054 73.840 84.442 -10.514 1.00 0.00 WT2 H ATOM 30856 OH2 TIP3 4055 40.918 56.731 7.355 1.00 0.00 WT2 O ATOM 30857 H1 TIP3 4055 41.235 55.943 7.796 1.00 0.00 WT2 H ATOM 30858 H2 TIP3 4055 41.257 57.454 7.882 1.00 0.00 WT2 H ATOM 30859 OH2 TIP3 4056 22.839 90.907 27.152 1.00 0.00 WT2 O ATOM 30860 H1 TIP3 4056 23.086 90.103 26.695 1.00 0.00 WT2 H ATOM 30861 H2 TIP3 4056 22.098 91.249 26.652 1.00 0.00 WT2 H ATOM 30862 OH2 TIP3 4057 77.996 43.998 50.728 1.00 0.00 WT2 O ATOM 30863 H1 TIP3 4057 78.631 44.460 50.181 1.00 0.00 WT2 H ATOM 30864 H2 TIP3 4057 77.674 43.288 50.173 1.00 0.00 WT2 H ATOM 30865 OH2 TIP3 4058 41.643 90.774 41.607 1.00 0.00 WT2 O ATOM 30866 H1 TIP3 4058 41.051 90.695 42.355 1.00 0.00 WT2 H ATOM 30867 H2 TIP3 4058 41.517 89.964 41.114 1.00 0.00 WT2 H ATOM 30868 OH2 TIP3 4059 66.670 29.796 55.567 1.00 0.00 WT2 O ATOM 30869 H1 TIP3 4059 65.947 30.197 56.051 1.00 0.00 WT2 H ATOM 30870 H2 TIP3 4059 66.395 28.889 55.433 1.00 0.00 WT2 H ATOM 30871 OH2 TIP3 4060 75.990 42.554 -3.103 1.00 0.00 WT2 O ATOM 30872 H1 TIP3 4060 75.976 41.601 -3.013 1.00 0.00 WT2 H ATOM 30873 H2 TIP3 4060 76.050 42.705 -4.047 1.00 0.00 WT2 H ATOM 30874 OH2 TIP3 4064 26.909 80.588 23.792 1.00 0.00 WT2 O ATOM 30875 H1 TIP3 4064 27.289 80.676 24.666 1.00 0.00 WT2 H ATOM 30876 H2 TIP3 4064 26.214 81.245 23.765 1.00 0.00 WT2 H ATOM 30877 OH2 TIP3 4072 45.786 61.590 57.919 1.00 0.00 WT2 O ATOM 30878 H1 TIP3 4072 45.500 61.951 58.758 1.00 0.00 WT2 H ATOM 30879 H2 TIP3 4072 45.187 60.862 57.754 1.00 0.00 WT2 H ATOM 30880 OH2 TIP3 4074 61.368 88.024 54.450 1.00 0.00 WT2 O ATOM 30881 H1 TIP3 4074 61.475 87.073 54.436 1.00 0.00 WT2 H ATOM 30882 H2 TIP3 4074 61.959 88.342 53.768 1.00 0.00 WT2 H ATOM 30883 OH2 TIP3 4076 62.803 39.505 -12.347 1.00 0.00 WT2 O ATOM 30884 H1 TIP3 4076 62.149 39.431 -11.652 1.00 0.00 WT2 H ATOM 30885 H2 TIP3 4076 62.346 39.950 -13.061 1.00 0.00 WT2 H ATOM 30886 OH2 TIP3 4077 78.836 28.073 53.625 1.00 0.00 WT2 O ATOM 30887 H1 TIP3 4077 78.984 27.129 53.568 1.00 0.00 WT2 H ATOM 30888 H2 TIP3 4077 79.631 28.416 54.032 1.00 0.00 WT2 H ATOM 30889 OH2 TIP3 4078 57.403 0.824 66.457 1.00 0.00 WT2 O ATOM 30890 H1 TIP3 4078 56.618 1.353 66.600 1.00 0.00 WT2 H ATOM 30891 H2 TIP3 4078 58.011 1.412 66.010 1.00 0.00 WT2 H ATOM 30892 OH2 TIP3 4083 37.343 29.274 17.203 1.00 0.00 WT2 O ATOM 30893 H1 TIP3 4083 37.853 28.600 16.753 1.00 0.00 WT2 H ATOM 30894 H2 TIP3 4083 37.840 30.081 17.068 1.00 0.00 WT2 H ATOM 30895 OH2 TIP3 4093 86.275 60.445 40.397 1.00 0.00 WT2 O ATOM 30896 H1 TIP3 4093 86.139 61.243 39.887 1.00 0.00 WT2 H ATOM 30897 H2 TIP3 4093 85.586 60.464 41.061 1.00 0.00 WT2 H ATOM 30898 OH2 TIP3 4097 29.080 75.719 18.017 1.00 0.00 WT2 O ATOM 30899 H1 TIP3 4097 29.278 76.436 17.414 1.00 0.00 WT2 H ATOM 30900 H2 TIP3 4097 29.395 74.935 17.569 1.00 0.00 WT2 H ATOM 30901 OH2 TIP3 4098 23.202 45.376 46.951 1.00 0.00 WT2 O ATOM 30902 H1 TIP3 4098 22.874 46.210 46.614 1.00 0.00 WT2 H ATOM 30903 H2 TIP3 4098 22.835 45.313 47.832 1.00 0.00 WT2 H ATOM 30904 OH2 TIP3 4099 29.849 29.570 -13.091 1.00 0.00 WT2 O ATOM 30905 H1 TIP3 4099 30.367 28.992 -13.652 1.00 0.00 WT2 H ATOM 30906 H2 TIP3 4099 29.692 30.347 -13.627 1.00 0.00 WT2 H ATOM 30907 OH2 TIP3 4100 24.030 83.063 32.028 1.00 0.00 WT2 O ATOM 30908 H1 TIP3 4100 23.567 83.896 32.116 1.00 0.00 WT2 H ATOM 30909 H2 TIP3 4100 23.368 82.453 31.703 1.00 0.00 WT2 H ATOM 30910 OH2 TIP3 4101 77.409 91.942 -8.473 1.00 0.00 WT2 O ATOM 30911 H1 TIP3 4101 76.519 92.296 -8.483 1.00 0.00 WT2 H ATOM 30912 H2 TIP3 4101 77.354 91.172 -7.907 1.00 0.00 WT2 H ATOM 30913 OH2 TIP3 4104 58.882 43.488 4.649 1.00 0.00 WT2 O ATOM 30914 H1 TIP3 4104 58.852 42.633 5.077 1.00 0.00 WT2 H ATOM 30915 H2 TIP3 4104 58.130 43.962 5.006 1.00 0.00 WT2 H ATOM 30916 OH2 TIP3 4116 53.876 67.689 8.758 1.00 0.00 WT2 O ATOM 30917 H1 TIP3 4116 54.373 66.870 8.752 1.00 0.00 WT2 H ATOM 30918 H2 TIP3 4116 54.345 68.250 9.376 1.00 0.00 WT2 H ATOM 30919 OH2 TIP3 4119 21.802 47.253 -11.129 1.00 0.00 WT2 O ATOM 30920 H1 TIP3 4119 22.439 46.980 -11.790 1.00 0.00 WT2 H ATOM 30921 H2 TIP3 4119 21.162 46.542 -11.105 1.00 0.00 WT2 H ATOM 30922 OH2 TIP3 4120 54.366 28.258 -14.971 1.00 0.00 WT2 O ATOM 30923 H1 TIP3 4120 53.588 28.480 -14.460 1.00 0.00 WT2 H ATOM 30924 H2 TIP3 4120 54.394 28.918 -15.664 1.00 0.00 WT2 H ATOM 30925 OH2 TIP3 4121 28.046 40.678 52.215 1.00 0.00 WT2 O ATOM 30926 H1 TIP3 4121 28.119 40.358 51.316 1.00 0.00 WT2 H ATOM 30927 H2 TIP3 4121 27.830 39.901 52.730 1.00 0.00 WT2 H ATOM 30928 OH2 TIP3 4123 40.266 17.465 5.355 1.00 0.00 WT2 O ATOM 30929 H1 TIP3 4123 40.510 18.358 5.111 1.00 0.00 WT2 H ATOM 30930 H2 TIP3 4123 39.703 17.167 4.641 1.00 0.00 WT2 H ATOM 30931 OH2 TIP3 4138 21.764 56.182 62.496 1.00 0.00 WT2 O ATOM 30932 H1 TIP3 4138 22.458 55.619 62.840 1.00 0.00 WT2 H ATOM 30933 H2 TIP3 4138 21.122 56.232 63.204 1.00 0.00 WT2 H ATOM 30934 OH2 TIP3 4139 85.618 42.208 25.107 1.00 0.00 WT2 O ATOM 30935 H1 TIP3 4139 84.970 41.610 24.735 1.00 0.00 WT2 H ATOM 30936 H2 TIP3 4139 85.102 42.927 25.470 1.00 0.00 WT2 H ATOM 30937 OH2 TIP3 4140 52.971 2.212 19.736 1.00 0.00 WT2 O ATOM 30938 H1 TIP3 4140 52.743 1.392 20.175 1.00 0.00 WT2 H ATOM 30939 H2 TIP3 4140 53.928 2.224 19.732 1.00 0.00 WT2 H ATOM 30940 OH2 TIP3 4141 84.707 59.162 49.503 1.00 0.00 WT2 O ATOM 30941 H1 TIP3 4141 84.766 59.809 48.801 1.00 0.00 WT2 H ATOM 30942 H2 TIP3 4141 85.471 58.600 49.375 1.00 0.00 WT2 H ATOM 30943 OH2 TIP3 4142 45.957 43.737 33.000 1.00 0.00 WT2 O ATOM 30944 H1 TIP3 4142 45.597 44.373 32.382 1.00 0.00 WT2 H ATOM 30945 H2 TIP3 4142 46.380 43.079 32.448 1.00 0.00 WT2 H ATOM 30946 OH2 TIP3 4143 80.377 17.914 -13.726 1.00 0.00 WT2 O ATOM 30947 H1 TIP3 4143 80.272 17.043 -13.345 1.00 0.00 WT2 H ATOM 30948 H2 TIP3 4143 79.486 18.191 -13.941 1.00 0.00 WT2 H ATOM 30949 OH2 TIP3 4157 31.802 38.575 -18.592 1.00 0.00 WT2 O ATOM 30950 H1 TIP3 4157 32.569 38.319 -18.080 1.00 0.00 WT2 H ATOM 30951 H2 TIP3 4157 32.063 39.388 -19.025 1.00 0.00 WT2 H ATOM 30952 OH2 TIP3 4158 21.870 77.048 15.392 1.00 0.00 WT2 O ATOM 30953 H1 TIP3 4158 22.643 76.486 15.348 1.00 0.00 WT2 H ATOM 30954 H2 TIP3 4158 21.309 76.633 16.049 1.00 0.00 WT2 H ATOM 30955 OH2 TIP3 4159 46.947 17.275 0.448 1.00 0.00 WT2 O ATOM 30956 H1 TIP3 4159 47.801 17.568 0.128 1.00 0.00 WT2 H ATOM 30957 H2 TIP3 4159 47.002 17.370 1.399 1.00 0.00 WT2 H ATOM 30958 OH2 TIP3 4161 29.319 54.747 17.696 1.00 0.00 WT2 O ATOM 30959 H1 TIP3 4161 29.541 55.099 16.833 1.00 0.00 WT2 H ATOM 30960 H2 TIP3 4161 30.164 54.556 18.102 1.00 0.00 WT2 H ATOM 30961 OH2 TIP3 4165 40.446 83.139 -15.166 1.00 0.00 WT2 O ATOM 30962 H1 TIP3 4165 39.623 83.379 -14.740 1.00 0.00 WT2 H ATOM 30963 H2 TIP3 4165 41.116 83.305 -14.504 1.00 0.00 WT2 H ATOM 30964 OH2 TIP3 4179 54.605 96.419 36.285 1.00 0.00 WT2 O ATOM 30965 H1 TIP3 4179 53.874 96.652 35.713 1.00 0.00 WT2 H ATOM 30966 H2 TIP3 4179 55.319 96.200 35.685 1.00 0.00 WT2 H ATOM 30967 OH2 TIP3 4181 79.171 33.652 58.164 1.00 0.00 WT2 O ATOM 30968 H1 TIP3 4181 78.734 33.221 57.430 1.00 0.00 WT2 H ATOM 30969 H2 TIP3 4181 80.104 33.520 57.999 1.00 0.00 WT2 H ATOM 30970 OH2 TIP3 4182 80.980 32.336 42.314 1.00 0.00 WT2 O ATOM 30971 H1 TIP3 4182 80.023 32.341 42.283 1.00 0.00 WT2 H ATOM 30972 H2 TIP3 4182 81.230 33.248 42.164 1.00 0.00 WT2 H ATOM 30973 OH2 TIP3 4183 45.561 64.709 5.668 1.00 0.00 WT2 O ATOM 30974 H1 TIP3 4183 45.057 64.390 6.416 1.00 0.00 WT2 H ATOM 30975 H2 TIP3 4183 46.195 65.317 6.048 1.00 0.00 WT2 H ATOM 30976 OH2 TIP3 4184 28.629 1.634 39.667 1.00 0.00 WT2 O ATOM 30977 H1 TIP3 4184 29.041 2.461 39.918 1.00 0.00 WT2 H ATOM 30978 H2 TIP3 4184 28.326 1.256 40.493 1.00 0.00 WT2 H ATOM 30979 OH2 TIP3 4186 34.691 10.395 23.628 1.00 0.00 WT2 O ATOM 30980 H1 TIP3 4186 34.806 10.842 22.789 1.00 0.00 WT2 H ATOM 30981 H2 TIP3 4186 35.451 9.818 23.699 1.00 0.00 WT2 H ATOM 30982 OH2 TIP3 4187 39.185 19.834 8.869 1.00 0.00 WT2 O ATOM 30983 H1 TIP3 4187 39.870 19.352 9.332 1.00 0.00 WT2 H ATOM 30984 H2 TIP3 4187 38.652 20.219 9.565 1.00 0.00 WT2 H ATOM 30985 OH2 TIP3 4198 63.335 29.874 6.638 1.00 0.00 WT2 O ATOM 30986 H1 TIP3 4198 63.521 29.261 7.349 1.00 0.00 WT2 H ATOM 30987 H2 TIP3 4198 62.379 29.900 6.588 1.00 0.00 WT2 H ATOM 30988 OH2 TIP3 4200 72.453 46.874 -11.597 1.00 0.00 WT2 O ATOM 30989 H1 TIP3 4200 72.318 47.211 -10.712 1.00 0.00 WT2 H ATOM 30990 H2 TIP3 4200 73.404 46.806 -11.685 1.00 0.00 WT2 H ATOM 30991 OH2 TIP3 4201 37.180 24.262 -2.932 1.00 0.00 WT2 O ATOM 30992 H1 TIP3 4201 38.107 24.029 -2.885 1.00 0.00 WT2 H ATOM 30993 H2 TIP3 4201 37.133 25.140 -2.555 1.00 0.00 WT2 H ATOM 30994 OH2 TIP3 4202 66.229 73.643 60.164 1.00 0.00 WT2 O ATOM 30995 H1 TIP3 4202 66.506 74.496 59.827 1.00 0.00 WT2 H ATOM 30996 H2 TIP3 4202 65.417 73.824 60.636 1.00 0.00 WT2 H ATOM 30997 OH2 TIP3 4205 21.508 44.960 3.011 1.00 0.00 WT2 O ATOM 30998 H1 TIP3 4205 20.733 45.047 2.456 1.00 0.00 WT2 H ATOM 30999 H2 TIP3 4205 21.296 45.460 3.799 1.00 0.00 WT2 H ATOM 31000 OH2 TIP3 4206 56.278 68.145 24.784 1.00 0.00 WT2 O ATOM 31001 H1 TIP3 4206 55.563 68.715 24.503 1.00 0.00 WT2 H ATOM 31002 H2 TIP3 4206 56.257 67.412 24.169 1.00 0.00 WT2 H ATOM 31003 OH2 TIP3 4207 51.449 26.102 -4.248 1.00 0.00 WT2 O ATOM 31004 H1 TIP3 4207 52.024 25.609 -3.663 1.00 0.00 WT2 H ATOM 31005 H2 TIP3 4207 51.650 25.766 -5.122 1.00 0.00 WT2 H ATOM 31006 OH2 TIP3 4218 72.474 22.657 39.522 1.00 0.00 WT2 O ATOM 31007 H1 TIP3 4218 72.522 22.584 40.475 1.00 0.00 WT2 H ATOM 31008 H2 TIP3 4218 73.384 22.598 39.231 1.00 0.00 WT2 H ATOM 31009 OH2 TIP3 4219 42.350 53.806 -13.432 1.00 0.00 WT2 O ATOM 31010 H1 TIP3 4219 41.435 53.525 -13.463 1.00 0.00 WT2 H ATOM 31011 H2 TIP3 4219 42.315 54.696 -13.081 1.00 0.00 WT2 H ATOM 31012 OH2 TIP3 4224 33.941 29.728 25.754 1.00 0.00 WT2 O ATOM 31013 H1 TIP3 4224 34.798 29.674 26.177 1.00 0.00 WT2 H ATOM 31014 H2 TIP3 4224 33.776 30.666 25.665 1.00 0.00 WT2 H ATOM 31015 OH2 TIP3 4225 27.091 36.215 49.131 1.00 0.00 WT2 O ATOM 31016 H1 TIP3 4225 27.316 36.910 48.512 1.00 0.00 WT2 H ATOM 31017 H2 TIP3 4225 26.997 35.432 48.589 1.00 0.00 WT2 H ATOM 31018 OH2 TIP3 4226 35.569 44.582 66.559 1.00 0.00 WT2 O ATOM 31019 H1 TIP3 4226 35.900 44.819 67.425 1.00 0.00 WT2 H ATOM 31020 H2 TIP3 4226 34.618 44.653 66.638 1.00 0.00 WT2 H ATOM 31021 OH2 TIP3 4227 43.211 28.791 -2.831 1.00 0.00 WT2 O ATOM 31022 H1 TIP3 4227 43.252 27.967 -2.344 1.00 0.00 WT2 H ATOM 31023 H2 TIP3 4227 44.126 29.043 -2.952 1.00 0.00 WT2 H ATOM 31024 OH2 TIP3 4229 72.445 71.925 -9.274 1.00 0.00 WT2 O ATOM 31025 H1 TIP3 4229 73.319 71.601 -9.059 1.00 0.00 WT2 H ATOM 31026 H2 TIP3 4229 72.147 72.361 -8.475 1.00 0.00 WT2 H ATOM 31027 OH2 TIP3 4243 40.378 16.347 -4.854 1.00 0.00 WT2 O ATOM 31028 H1 TIP3 4243 39.707 16.577 -5.497 1.00 0.00 WT2 H ATOM 31029 H2 TIP3 4243 39.932 16.405 -4.009 1.00 0.00 WT2 H ATOM 31030 OH2 TIP3 4245 56.997 44.492 63.620 1.00 0.00 WT2 O ATOM 31031 H1 TIP3 4245 56.699 44.149 62.777 1.00 0.00 WT2 H ATOM 31032 H2 TIP3 4245 56.191 44.702 64.092 1.00 0.00 WT2 H ATOM 31033 OH2 TIP3 4246 48.745 59.198 -5.743 1.00 0.00 WT2 O ATOM 31034 H1 TIP3 4246 48.560 58.312 -6.054 1.00 0.00 WT2 H ATOM 31035 H2 TIP3 4246 49.260 59.070 -4.946 1.00 0.00 WT2 H ATOM 31036 OH2 TIP3 4247 67.674 44.622 63.476 1.00 0.00 WT2 O ATOM 31037 H1 TIP3 4247 67.967 45.292 64.094 1.00 0.00 WT2 H ATOM 31038 H2 TIP3 4247 68.370 43.966 63.486 1.00 0.00 WT2 H ATOM 31039 OH2 TIP3 4248 41.819 20.294 56.157 1.00 0.00 WT2 O ATOM 31040 H1 TIP3 4248 41.915 20.536 55.236 1.00 0.00 WT2 H ATOM 31041 H2 TIP3 4248 42.716 20.187 56.473 1.00 0.00 WT2 H ATOM 31042 OH2 TIP3 4251 46.384 7.823 -11.607 1.00 0.00 WT2 O ATOM 31043 H1 TIP3 4251 47.219 7.647 -11.172 1.00 0.00 WT2 H ATOM 31044 H2 TIP3 4251 45.721 7.553 -10.972 1.00 0.00 WT2 H ATOM 31045 OH2 TIP3 4262 50.201 50.446 44.187 1.00 0.00 WT2 O ATOM 31046 H1 TIP3 4262 50.721 49.666 43.994 1.00 0.00 WT2 H ATOM 31047 H2 TIP3 4262 49.555 50.485 43.481 1.00 0.00 WT2 H ATOM 31048 OH2 TIP3 4264 60.762 57.531 57.163 1.00 0.00 WT2 O ATOM 31049 H1 TIP3 4264 61.631 57.669 56.786 1.00 0.00 WT2 H ATOM 31050 H2 TIP3 4264 60.240 57.183 56.440 1.00 0.00 WT2 H ATOM 31051 OH2 TIP3 4266 67.669 36.103 2.364 1.00 0.00 WT2 O ATOM 31052 H1 TIP3 4266 68.167 35.387 2.759 1.00 0.00 WT2 H ATOM 31053 H2 TIP3 4266 66.992 36.309 3.009 1.00 0.00 WT2 H ATOM 31054 OH2 TIP3 4267 38.734 20.981 41.303 1.00 0.00 WT2 O ATOM 31055 H1 TIP3 4267 39.008 21.383 40.478 1.00 0.00 WT2 H ATOM 31056 H2 TIP3 4267 39.541 20.908 41.813 1.00 0.00 WT2 H ATOM 31057 OH2 TIP3 4268 34.093 65.861 -0.725 1.00 0.00 WT2 O ATOM 31058 H1 TIP3 4268 33.533 65.306 -1.268 1.00 0.00 WT2 H ATOM 31059 H2 TIP3 4268 34.306 66.607 -1.285 1.00 0.00 WT2 H ATOM 31060 OH2 TIP3 4269 79.368 75.304 54.926 1.00 0.00 WT2 O ATOM 31061 H1 TIP3 4269 79.311 75.642 54.032 1.00 0.00 WT2 H ATOM 31062 H2 TIP3 4269 78.650 75.733 55.391 1.00 0.00 WT2 H ATOM 31063 OH2 TIP3 4282 35.397 26.509 53.840 1.00 0.00 WT2 O ATOM 31064 H1 TIP3 4282 36.067 26.366 53.171 1.00 0.00 WT2 H ATOM 31065 H2 TIP3 4282 34.569 26.346 53.389 1.00 0.00 WT2 H ATOM 31066 OH2 TIP3 4283 28.520 41.819 -19.991 1.00 0.00 WT2 O ATOM 31067 H1 TIP3 4283 28.488 42.757 -19.802 1.00 0.00 WT2 H ATOM 31068 H2 TIP3 4283 27.971 41.419 -19.316 1.00 0.00 WT2 H ATOM 31069 OH2 TIP3 4287 22.367 20.349 -10.527 1.00 0.00 WT2 O ATOM 31070 H1 TIP3 4287 23.118 20.834 -10.184 1.00 0.00 WT2 H ATOM 31071 H2 TIP3 4287 21.709 20.404 -9.834 1.00 0.00 WT2 H ATOM 31072 OH2 TIP3 4288 35.042 31.960 22.679 1.00 0.00 WT2 O ATOM 31073 H1 TIP3 4288 35.359 32.817 22.394 1.00 0.00 WT2 H ATOM 31074 H2 TIP3 4288 34.164 32.130 23.022 1.00 0.00 WT2 H ATOM 31075 OH2 TIP3 4289 84.741 5.324 44.740 1.00 0.00 WT2 O ATOM 31076 H1 TIP3 4289 84.583 5.389 45.682 1.00 0.00 WT2 H ATOM 31077 H2 TIP3 4289 85.638 4.998 44.669 1.00 0.00 WT2 H ATOM 31078 OH2 TIP3 4290 36.451 94.714 39.050 1.00 0.00 WT2 O ATOM 31079 H1 TIP3 4290 35.843 94.019 38.799 1.00 0.00 WT2 H ATOM 31080 H2 TIP3 4290 36.516 95.269 38.273 1.00 0.00 WT2 H ATOM 31081 OH2 TIP3 4293 71.687 15.954 1.222 1.00 0.00 WT2 O ATOM 31082 H1 TIP3 4293 71.799 15.247 0.586 1.00 0.00 WT2 H ATOM 31083 H2 TIP3 4293 71.448 15.511 2.035 1.00 0.00 WT2 H ATOM 31084 OH2 TIP3 4297 22.697 26.457 15.378 1.00 0.00 WT2 O ATOM 31085 H1 TIP3 4297 23.475 25.901 15.423 1.00 0.00 WT2 H ATOM 31086 H2 TIP3 4297 22.129 26.024 14.741 1.00 0.00 WT2 H ATOM 31087 OH2 TIP3 4304 60.388 3.492 63.692 1.00 0.00 WT2 O ATOM 31088 H1 TIP3 4304 60.693 2.600 63.863 1.00 0.00 WT2 H ATOM 31089 H2 TIP3 4304 61.180 4.028 63.733 1.00 0.00 WT2 H ATOM 31090 OH2 TIP3 4306 29.428 40.194 33.033 1.00 0.00 WT2 O ATOM 31091 H1 TIP3 4306 30.179 39.717 32.680 1.00 0.00 WT2 H ATOM 31092 H2 TIP3 4306 29.679 41.116 32.972 1.00 0.00 WT2 H ATOM 31093 OH2 TIP3 4307 62.566 2.066 -8.729 1.00 0.00 WT2 O ATOM 31094 H1 TIP3 4307 62.574 3.012 -8.584 1.00 0.00 WT2 H ATOM 31095 H2 TIP3 4307 61.657 1.808 -8.573 1.00 0.00 WT2 H ATOM 31096 OH2 TIP3 4311 44.802 13.178 -5.511 1.00 0.00 WT2 O ATOM 31097 H1 TIP3 4311 44.102 13.763 -5.223 1.00 0.00 WT2 H ATOM 31098 H2 TIP3 4311 45.606 13.679 -5.373 1.00 0.00 WT2 H ATOM 31099 OH2 TIP3 4313 33.242 90.857 62.757 1.00 0.00 WT2 O ATOM 31100 H1 TIP3 4313 33.059 90.826 61.818 1.00 0.00 WT2 H ATOM 31101 H2 TIP3 4313 32.642 91.521 63.096 1.00 0.00 WT2 H ATOM 31102 OH2 TIP3 4321 52.761 29.665 51.085 1.00 0.00 WT2 O ATOM 31103 H1 TIP3 4321 52.204 29.829 50.324 1.00 0.00 WT2 H ATOM 31104 H2 TIP3 4321 53.485 29.139 50.744 1.00 0.00 WT2 H ATOM 31105 OH2 TIP3 4328 89.425 26.388 38.431 1.00 0.00 WT2 O ATOM 31106 H1 TIP3 4328 88.840 26.860 39.023 1.00 0.00 WT2 H ATOM 31107 H2 TIP3 4328 89.003 26.453 37.574 1.00 0.00 WT2 H ATOM 31108 OH2 TIP3 4329 30.952 71.480 66.189 1.00 0.00 WT2 O ATOM 31109 H1 TIP3 4329 30.131 71.744 65.775 1.00 0.00 WT2 H ATOM 31110 H2 TIP3 4329 31.090 72.127 66.881 1.00 0.00 WT2 H ATOM 31111 OH2 TIP3 4330 33.209 49.253 57.180 1.00 0.00 WT2 O ATOM 31112 H1 TIP3 4330 32.789 48.681 57.823 1.00 0.00 WT2 H ATOM 31113 H2 TIP3 4330 34.119 48.957 57.154 1.00 0.00 WT2 H ATOM 31114 OH2 TIP3 4332 70.766 46.026 4.303 1.00 0.00 WT2 O ATOM 31115 H1 TIP3 4332 70.381 45.838 5.159 1.00 0.00 WT2 H ATOM 31116 H2 TIP3 4332 70.111 46.564 3.859 1.00 0.00 WT2 H ATOM 31117 OH2 TIP3 4337 25.955 47.267 34.143 1.00 0.00 WT2 O ATOM 31118 H1 TIP3 4337 26.294 48.008 34.645 1.00 0.00 WT2 H ATOM 31119 H2 TIP3 4337 25.915 47.586 33.241 1.00 0.00 WT2 H ATOM 31120 OH2 TIP3 4349 63.188 79.775 -10.412 1.00 0.00 WT2 O ATOM 31121 H1 TIP3 4349 63.642 78.939 -10.517 1.00 0.00 WT2 H ATOM 31122 H2 TIP3 4349 63.856 80.370 -10.074 1.00 0.00 WT2 H ATOM 31123 OH2 TIP3 4350 22.847 53.993 9.529 1.00 0.00 WT2 O ATOM 31124 H1 TIP3 4350 23.654 53.590 9.208 1.00 0.00 WT2 H ATOM 31125 H2 TIP3 4350 22.386 54.269 8.737 1.00 0.00 WT2 H ATOM 31126 OH2 TIP3 4351 44.264 41.518 29.146 1.00 0.00 WT2 O ATOM 31127 H1 TIP3 4351 44.427 40.581 29.255 1.00 0.00 WT2 H ATOM 31128 H2 TIP3 4351 45.137 41.909 29.097 1.00 0.00 WT2 H ATOM 31129 OH2 TIP3 4352 26.338 18.434 -8.028 1.00 0.00 WT2 O ATOM 31130 H1 TIP3 4352 26.278 18.161 -8.943 1.00 0.00 WT2 H ATOM 31131 H2 TIP3 4352 27.256 18.294 -7.795 1.00 0.00 WT2 H ATOM 31132 OH2 TIP3 4353 26.786 14.026 34.563 1.00 0.00 WT2 O ATOM 31133 H1 TIP3 4353 26.226 14.550 35.136 1.00 0.00 WT2 H ATOM 31134 H2 TIP3 4353 26.759 14.479 33.721 1.00 0.00 WT2 H ATOM 31135 OH2 TIP3 4356 56.309 24.527 6.834 1.00 0.00 WT2 O ATOM 31136 H1 TIP3 4356 55.942 25.217 6.281 1.00 0.00 WT2 H ATOM 31137 H2 TIP3 4356 56.036 24.759 7.721 1.00 0.00 WT2 H ATOM 31138 OH2 TIP3 4357 69.001 20.765 60.673 1.00 0.00 WT2 O ATOM 31139 H1 TIP3 4357 69.625 20.085 60.925 1.00 0.00 WT2 H ATOM 31140 H2 TIP3 4357 68.491 20.372 59.964 1.00 0.00 WT2 H ATOM 31141 OH2 TIP3 4363 77.091 54.523 21.824 1.00 0.00 WT2 O ATOM 31142 H1 TIP3 4363 77.429 54.601 22.716 1.00 0.00 WT2 H ATOM 31143 H2 TIP3 4363 76.165 54.755 21.896 1.00 0.00 WT2 H ATOM 31144 OH2 TIP3 4373 23.984 86.921 -10.589 1.00 0.00 WT2 O ATOM 31145 H1 TIP3 4373 23.788 86.812 -11.520 1.00 0.00 WT2 H ATOM 31146 H2 TIP3 4373 24.135 87.860 -10.483 1.00 0.00 WT2 H ATOM 31147 OH2 TIP3 4374 70.537 9.742 -17.455 1.00 0.00 WT2 O ATOM 31148 H1 TIP3 4374 69.606 9.803 -17.670 1.00 0.00 WT2 H ATOM 31149 H2 TIP3 4374 70.684 8.810 -17.290 1.00 0.00 WT2 H ATOM 31150 OH2 TIP3 4387 65.056 85.909 51.830 1.00 0.00 WT2 O ATOM 31151 H1 TIP3 4387 65.943 85.580 51.979 1.00 0.00 WT2 H ATOM 31152 H2 TIP3 4387 64.760 85.453 51.042 1.00 0.00 WT2 H ATOM 31153 OH2 TIP3 4391 70.986 62.814 -8.966 1.00 0.00 WT2 O ATOM 31154 H1 TIP3 4391 70.766 62.931 -9.890 1.00 0.00 WT2 H ATOM 31155 H2 TIP3 4391 70.155 62.925 -8.505 1.00 0.00 WT2 H ATOM 31156 OH2 TIP3 4392 68.573 38.918 23.477 1.00 0.00 WT2 O ATOM 31157 H1 TIP3 4392 68.488 39.415 22.663 1.00 0.00 WT2 H ATOM 31158 H2 TIP3 4392 68.120 38.094 23.303 1.00 0.00 WT2 H ATOM 31159 OH2 TIP3 4393 65.093 51.206 32.819 1.00 0.00 WT2 O ATOM 31160 H1 TIP3 4393 64.726 52.033 32.507 1.00 0.00 WT2 H ATOM 31161 H2 TIP3 4393 64.411 50.558 32.641 1.00 0.00 WT2 H ATOM 31162 OH2 TIP3 4394 36.703 81.000 1.585 1.00 0.00 WT2 O ATOM 31163 H1 TIP3 4394 37.143 80.897 0.741 1.00 0.00 WT2 H ATOM 31164 H2 TIP3 4394 35.999 81.625 1.415 1.00 0.00 WT2 H ATOM 31165 OH2 TIP3 4395 45.243 52.534 37.580 1.00 0.00 WT2 O ATOM 31166 H1 TIP3 4395 46.086 52.100 37.448 1.00 0.00 WT2 H ATOM 31167 H2 TIP3 4395 44.739 51.921 38.114 1.00 0.00 WT2 H ATOM 31168 OH2 TIP3 4399 57.984 30.922 31.445 1.00 0.00 WT2 O ATOM 31169 H1 TIP3 4399 57.474 31.134 32.227 1.00 0.00 WT2 H ATOM 31170 H2 TIP3 4399 58.360 31.758 31.171 1.00 0.00 WT2 H ATOM 31171 OH2 TIP3 4411 58.722 79.833 20.039 1.00 0.00 WT2 O ATOM 31172 H1 TIP3 4411 58.909 79.026 19.559 1.00 0.00 WT2 H ATOM 31173 H2 TIP3 4411 57.838 80.076 19.764 1.00 0.00 WT2 H ATOM 31174 OH2 TIP3 4414 52.104 75.670 65.639 1.00 0.00 WT2 O ATOM 31175 H1 TIP3 4414 52.528 76.124 66.368 1.00 0.00 WT2 H ATOM 31176 H2 TIP3 4414 51.760 74.865 66.025 1.00 0.00 WT2 H ATOM 31177 OH2 TIP3 4417 58.841 85.755 -16.050 1.00 0.00 WT2 O ATOM 31178 H1 TIP3 4417 59.099 84.845 -15.905 1.00 0.00 WT2 H ATOM 31179 H2 TIP3 4417 58.038 85.698 -16.567 1.00 0.00 WT2 H ATOM 31180 OH2 TIP3 4419 26.410 17.327 64.421 1.00 0.00 WT2 O ATOM 31181 H1 TIP3 4419 25.570 17.752 64.597 1.00 0.00 WT2 H ATOM 31182 H2 TIP3 4419 26.399 17.153 63.480 1.00 0.00 WT2 H ATOM 31183 OH2 TIP3 4432 64.703 35.189 -17.489 1.00 0.00 WT2 O ATOM 31184 H1 TIP3 4432 63.806 35.519 -17.434 1.00 0.00 WT2 H ATOM 31185 H2 TIP3 4432 65.091 35.670 -18.221 1.00 0.00 WT2 H ATOM 31186 OH2 TIP3 4434 59.361 59.160 62.161 1.00 0.00 WT2 O ATOM 31187 H1 TIP3 4434 58.926 59.533 61.395 1.00 0.00 WT2 H ATOM 31188 H2 TIP3 4434 59.654 59.919 62.665 1.00 0.00 WT2 H ATOM 31189 OH2 TIP3 4435 64.215 63.295 48.484 1.00 0.00 WT2 O ATOM 31190 H1 TIP3 4435 63.647 64.025 48.730 1.00 0.00 WT2 H ATOM 31191 H2 TIP3 4435 63.702 62.795 47.849 1.00 0.00 WT2 H ATOM 31192 OH2 TIP3 4437 73.391 25.578 46.559 1.00 0.00 WT2 O ATOM 31193 H1 TIP3 4437 74.335 25.453 46.648 1.00 0.00 WT2 H ATOM 31194 H2 TIP3 4437 73.224 25.487 45.621 1.00 0.00 WT2 H ATOM 31195 OH2 TIP3 4438 71.269 69.374 -17.016 1.00 0.00 WT2 O ATOM 31196 H1 TIP3 4438 72.142 68.983 -17.031 1.00 0.00 WT2 H ATOM 31197 H2 TIP3 4438 70.887 69.076 -16.190 1.00 0.00 WT2 H ATOM 31198 OH2 TIP3 4453 36.629 1.041 -9.220 1.00 0.00 WT2 O ATOM 31199 H1 TIP3 4453 36.917 0.677 -8.383 1.00 0.00 WT2 H ATOM 31200 H2 TIP3 4453 37.319 1.658 -9.464 1.00 0.00 WT2 H ATOM 31201 OH2 TIP3 4454 22.255 61.828 57.326 1.00 0.00 WT2 O ATOM 31202 H1 TIP3 4454 22.534 61.505 56.469 1.00 0.00 WT2 H ATOM 31203 H2 TIP3 4454 23.072 61.997 57.796 1.00 0.00 WT2 H ATOM 31204 OH2 TIP3 4455 64.626 19.114 10.685 1.00 0.00 WT2 O ATOM 31205 H1 TIP3 4455 64.860 18.193 10.793 1.00 0.00 WT2 H ATOM 31206 H2 TIP3 4455 64.885 19.526 11.510 1.00 0.00 WT2 H ATOM 31207 OH2 TIP3 4457 82.199 32.658 28.993 1.00 0.00 WT2 O ATOM 31208 H1 TIP3 4457 81.563 32.920 28.327 1.00 0.00 WT2 H ATOM 31209 H2 TIP3 4457 82.875 33.334 28.960 1.00 0.00 WT2 H ATOM 31210 OH2 TIP3 4461 32.730 28.746 44.832 1.00 0.00 WT2 O ATOM 31211 H1 TIP3 4461 33.383 29.251 44.347 1.00 0.00 WT2 H ATOM 31212 H2 TIP3 4461 33.156 28.539 45.664 1.00 0.00 WT2 H ATOM 31213 OH2 TIP3 4473 79.978 87.149 39.673 1.00 0.00 WT2 O ATOM 31214 H1 TIP3 4473 80.653 87.742 40.003 1.00 0.00 WT2 H ATOM 31215 H2 TIP3 4473 79.369 87.718 39.201 1.00 0.00 WT2 H ATOM 31216 OH2 TIP3 4474 74.642 93.588 60.284 1.00 0.00 WT2 O ATOM 31217 H1 TIP3 4474 74.141 94.337 60.606 1.00 0.00 WT2 H ATOM 31218 H2 TIP3 4474 75.122 93.927 59.528 1.00 0.00 WT2 H ATOM 31219 OH2 TIP3 4477 51.594 93.760 -16.905 1.00 0.00 WT2 O ATOM 31220 H1 TIP3 4477 52.541 93.778 -17.043 1.00 0.00 WT2 H ATOM 31221 H2 TIP3 4477 51.428 92.912 -16.494 1.00 0.00 WT2 H ATOM 31222 OH2 TIP3 4478 59.097 62.994 65.200 1.00 0.00 WT2 O ATOM 31223 H1 TIP3 4478 58.992 62.761 66.123 1.00 0.00 WT2 H ATOM 31224 H2 TIP3 4478 58.223 62.891 64.826 1.00 0.00 WT2 H ATOM 31225 OH2 TIP3 4479 43.668 32.810 39.088 1.00 0.00 WT2 O ATOM 31226 H1 TIP3 4479 43.285 33.639 39.374 1.00 0.00 WT2 H ATOM 31227 H2 TIP3 4479 43.253 32.633 38.244 1.00 0.00 WT2 H ATOM 31228 OH2 TIP3 4480 31.465 96.290 19.350 1.00 0.00 WT2 O ATOM 31229 H1 TIP3 4480 31.250 97.086 19.836 1.00 0.00 WT2 H ATOM 31230 H2 TIP3 4480 30.625 95.980 19.013 1.00 0.00 WT2 H ATOM 31231 OH2 TIP3 4481 68.257 14.127 64.811 1.00 0.00 WT2 O ATOM 31232 H1 TIP3 4481 67.627 14.849 64.806 1.00 0.00 WT2 H ATOM 31233 H2 TIP3 4481 68.028 13.615 65.586 1.00 0.00 WT2 H ATOM 31234 OH2 TIP3 4496 49.513 12.449 -8.040 1.00 0.00 WT2 O ATOM 31235 H1 TIP3 4496 50.241 13.069 -7.996 1.00 0.00 WT2 H ATOM 31236 H2 TIP3 4496 49.568 11.957 -7.220 1.00 0.00 WT2 H ATOM 31237 OH2 TIP3 4497 46.484 49.903 32.158 1.00 0.00 WT2 O ATOM 31238 H1 TIP3 4497 46.453 49.608 31.247 1.00 0.00 WT2 H ATOM 31239 H2 TIP3 4497 46.021 49.222 32.646 1.00 0.00 WT2 H ATOM 31240 OH2 TIP3 4499 81.728 36.641 -4.920 1.00 0.00 WT2 O ATOM 31241 H1 TIP3 4499 82.137 35.885 -4.498 1.00 0.00 WT2 H ATOM 31242 H2 TIP3 4499 81.780 36.450 -5.856 1.00 0.00 WT2 H ATOM 31243 OH2 TIP3 4500 64.326 68.266 60.176 1.00 0.00 WT2 O ATOM 31244 H1 TIP3 4500 65.034 68.121 60.804 1.00 0.00 WT2 H ATOM 31245 H2 TIP3 4500 63.945 69.106 60.433 1.00 0.00 WT2 H ATOM 31246 OH2 TIP3 4501 49.027 52.199 63.845 1.00 0.00 WT2 O ATOM 31247 H1 TIP3 4501 49.471 52.718 63.174 1.00 0.00 WT2 H ATOM 31248 H2 TIP3 4501 48.202 51.935 63.436 1.00 0.00 WT2 H ATOM 31249 OH2 TIP3 4513 28.440 71.288 41.506 1.00 0.00 WT2 O ATOM 31250 H1 TIP3 4513 29.249 71.347 40.998 1.00 0.00 WT2 H ATOM 31251 H2 TIP3 4513 28.037 70.468 41.221 1.00 0.00 WT2 H ATOM 31252 OH2 TIP3 4515 26.911 29.180 43.946 1.00 0.00 WT2 O ATOM 31253 H1 TIP3 4515 26.898 28.223 43.940 1.00 0.00 WT2 H ATOM 31254 H2 TIP3 4515 27.791 29.406 44.248 1.00 0.00 WT2 H ATOM 31255 OH2 TIP3 4516 41.749 35.734 -1.280 1.00 0.00 WT2 O ATOM 31256 H1 TIP3 4516 41.631 36.583 -1.706 1.00 0.00 WT2 H ATOM 31257 H2 TIP3 4516 41.851 35.943 -0.351 1.00 0.00 WT2 H ATOM 31258 OH2 TIP3 4517 34.185 77.480 -4.703 1.00 0.00 WT2 O ATOM 31259 H1 TIP3 4517 33.747 77.295 -5.533 1.00 0.00 WT2 H ATOM 31260 H2 TIP3 4517 34.662 76.675 -4.499 1.00 0.00 WT2 H ATOM 31261 OH2 TIP3 4518 39.465 22.423 39.067 1.00 0.00 WT2 O ATOM 31262 H1 TIP3 4518 40.391 22.632 38.940 1.00 0.00 WT2 H ATOM 31263 H2 TIP3 4518 39.240 21.868 38.320 1.00 0.00 WT2 H ATOM 31264 OH2 TIP3 4519 66.515 45.713 47.541 1.00 0.00 WT2 O ATOM 31265 H1 TIP3 4519 65.933 44.965 47.675 1.00 0.00 WT2 H ATOM 31266 H2 TIP3 4519 67.284 45.344 47.108 1.00 0.00 WT2 H ATOM 31267 OH2 TIP3 4523 28.929 91.253 34.116 1.00 0.00 WT2 O ATOM 31268 H1 TIP3 4523 28.831 92.066 33.621 1.00 0.00 WT2 H ATOM 31269 H2 TIP3 4523 28.668 90.566 33.503 1.00 0.00 WT2 H ATOM 31270 OH2 TIP3 4524 24.368 76.215 43.039 1.00 0.00 WT2 O ATOM 31271 H1 TIP3 4524 23.776 75.469 43.132 1.00 0.00 WT2 H ATOM 31272 H2 TIP3 4524 23.830 76.977 43.251 1.00 0.00 WT2 H ATOM 31273 OH2 TIP3 4536 88.886 45.514 45.979 1.00 0.00 WT2 O ATOM 31274 H1 TIP3 4536 88.481 45.729 46.819 1.00 0.00 WT2 H ATOM 31275 H2 TIP3 4536 89.624 44.948 46.207 1.00 0.00 WT2 H ATOM 31276 OH2 TIP3 4537 84.910 92.205 42.733 1.00 0.00 WT2 O ATOM 31277 H1 TIP3 4537 85.685 91.644 42.702 1.00 0.00 WT2 H ATOM 31278 H2 TIP3 4537 84.833 92.459 43.653 1.00 0.00 WT2 H ATOM 31279 OH2 TIP3 4538 78.622 44.275 53.532 1.00 0.00 WT2 O ATOM 31280 H1 TIP3 4538 78.158 44.325 52.697 1.00 0.00 WT2 H ATOM 31281 H2 TIP3 4538 78.973 43.385 53.558 1.00 0.00 WT2 H ATOM 31282 OH2 TIP3 4540 63.015 37.371 52.773 1.00 0.00 WT2 O ATOM 31283 H1 TIP3 4540 63.922 37.632 52.932 1.00 0.00 WT2 H ATOM 31284 H2 TIP3 4540 63.026 36.416 52.835 1.00 0.00 WT2 H ATOM 31285 OH2 TIP3 4544 87.685 31.930 10.540 1.00 0.00 WT2 O ATOM 31286 H1 TIP3 4544 88.475 32.378 10.844 1.00 0.00 WT2 H ATOM 31287 H2 TIP3 4544 87.147 31.832 11.325 1.00 0.00 WT2 H ATOM 31288 OH2 TIP3 4553 22.654 78.950 51.103 1.00 0.00 WT2 O ATOM 31289 H1 TIP3 4553 22.505 78.970 52.049 1.00 0.00 WT2 H ATOM 31290 H2 TIP3 4553 21.855 78.563 50.743 1.00 0.00 WT2 H ATOM 31291 OH2 TIP3 4558 56.413 62.057 -3.731 1.00 0.00 WT2 O ATOM 31292 H1 TIP3 4558 55.870 61.424 -3.262 1.00 0.00 WT2 H ATOM 31293 H2 TIP3 4558 56.383 62.847 -3.191 1.00 0.00 WT2 H ATOM 31294 OH2 TIP3 4559 32.556 16.539 26.006 1.00 0.00 WT2 O ATOM 31295 H1 TIP3 4559 32.204 17.424 25.910 1.00 0.00 WT2 H ATOM 31296 H2 TIP3 4559 33.479 16.670 26.223 1.00 0.00 WT2 H ATOM 31297 OH2 TIP3 4560 45.334 35.971 27.266 1.00 0.00 WT2 O ATOM 31298 H1 TIP3 4560 44.919 35.914 26.406 1.00 0.00 WT2 H ATOM 31299 H2 TIP3 4560 44.613 36.152 27.869 1.00 0.00 WT2 H ATOM 31300 OH2 TIP3 4561 42.880 85.944 0.914 1.00 0.00 WT2 O ATOM 31301 H1 TIP3 4561 43.206 86.753 1.310 1.00 0.00 WT2 H ATOM 31302 H2 TIP3 4561 42.356 85.534 1.603 1.00 0.00 WT2 H ATOM 31303 OH2 TIP3 4562 65.005 13.137 34.616 1.00 0.00 WT2 O ATOM 31304 H1 TIP3 4562 65.576 13.526 33.954 1.00 0.00 WT2 H ATOM 31305 H2 TIP3 4562 64.175 13.604 34.522 1.00 0.00 WT2 H ATOM 31306 OH2 TIP3 4563 72.145 93.266 -14.017 1.00 0.00 WT2 O ATOM 31307 H1 TIP3 4563 72.994 93.133 -14.439 1.00 0.00 WT2 H ATOM 31308 H2 TIP3 4563 72.361 93.504 -13.115 1.00 0.00 WT2 H ATOM 31309 OH2 TIP3 4565 87.648 35.638 36.936 1.00 0.00 WT2 O ATOM 31310 H1 TIP3 4565 87.879 36.516 37.239 1.00 0.00 WT2 H ATOM 31311 H2 TIP3 4565 87.749 35.083 37.710 1.00 0.00 WT2 H ATOM 31312 OH2 TIP3 4569 38.131 49.302 -4.554 1.00 0.00 WT2 O ATOM 31313 H1 TIP3 4569 38.734 49.738 -3.952 1.00 0.00 WT2 H ATOM 31314 H2 TIP3 4569 37.277 49.688 -4.359 1.00 0.00 WT2 H ATOM 31315 OH2 TIP3 4578 64.437 64.295 -11.473 1.00 0.00 WT2 O ATOM 31316 H1 TIP3 4578 64.964 63.505 -11.358 1.00 0.00 WT2 H ATOM 31317 H2 TIP3 4578 63.535 63.977 -11.527 1.00 0.00 WT2 H ATOM 31318 OH2 TIP3 4581 30.115 43.127 40.316 1.00 0.00 WT2 O ATOM 31319 H1 TIP3 4581 30.968 42.824 40.625 1.00 0.00 WT2 H ATOM 31320 H2 TIP3 4581 29.946 43.924 40.819 1.00 0.00 WT2 H ATOM 31321 OH2 TIP3 4582 22.946 86.374 33.231 1.00 0.00 WT2 O ATOM 31322 H1 TIP3 4582 22.710 87.165 33.716 1.00 0.00 WT2 H ATOM 31323 H2 TIP3 4582 23.618 85.954 33.767 1.00 0.00 WT2 H ATOM 31324 OH2 TIP3 4586 65.495 40.731 24.905 1.00 0.00 WT2 O ATOM 31325 H1 TIP3 4586 64.933 41.488 25.069 1.00 0.00 WT2 H ATOM 31326 H2 TIP3 4586 65.062 40.261 24.192 1.00 0.00 WT2 H ATOM 31327 OH2 TIP3 4599 23.837 13.939 -1.758 1.00 0.00 WT2 O ATOM 31328 H1 TIP3 4599 24.768 14.023 -1.552 1.00 0.00 WT2 H ATOM 31329 H2 TIP3 4599 23.618 14.750 -2.217 1.00 0.00 WT2 H ATOM 31330 OH2 TIP3 4600 84.118 45.723 34.013 1.00 0.00 WT2 O ATOM 31331 H1 TIP3 4600 83.635 44.900 33.940 1.00 0.00 WT2 H ATOM 31332 H2 TIP3 4600 83.449 46.378 34.212 1.00 0.00 WT2 H ATOM 31333 OH2 TIP3 4602 36.244 69.390 26.767 1.00 0.00 WT2 O ATOM 31334 H1 TIP3 4602 36.922 68.850 27.173 1.00 0.00 WT2 H ATOM 31335 H2 TIP3 4602 36.592 69.598 25.900 1.00 0.00 WT2 H ATOM 31336 OH2 TIP3 4603 48.029 77.469 49.786 1.00 0.00 WT2 O ATOM 31337 H1 TIP3 4603 48.611 78.227 49.844 1.00 0.00 WT2 H ATOM 31338 H2 TIP3 4603 48.534 76.749 50.164 1.00 0.00 WT2 H ATOM 31339 OH2 TIP3 4621 42.747 12.705 45.248 1.00 0.00 WT2 O ATOM 31340 H1 TIP3 4621 43.079 11.877 44.901 1.00 0.00 WT2 H ATOM 31341 H2 TIP3 4621 43.524 13.153 45.584 1.00 0.00 WT2 H ATOM 31342 OH2 TIP3 4622 21.873 32.181 -14.609 1.00 0.00 WT2 O ATOM 31343 H1 TIP3 4622 22.814 32.079 -14.755 1.00 0.00 WT2 H ATOM 31344 H2 TIP3 4622 21.474 31.950 -15.448 1.00 0.00 WT2 H ATOM 31345 OH2 TIP3 4623 55.476 37.301 67.236 1.00 0.00 WT2 O ATOM 31346 H1 TIP3 4623 55.154 37.970 66.632 1.00 0.00 WT2 H ATOM 31347 H2 TIP3 4623 54.690 36.975 67.674 1.00 0.00 WT2 H ATOM 31348 OH2 TIP3 4625 20.805 24.050 36.837 1.00 0.00 WT2 O ATOM 31349 H1 TIP3 4625 20.252 24.694 37.281 1.00 0.00 WT2 H ATOM 31350 H2 TIP3 4625 21.221 24.540 36.128 1.00 0.00 WT2 H ATOM 31351 OH2 TIP3 4627 45.129 48.595 63.703 1.00 0.00 WT2 O ATOM 31352 H1 TIP3 4627 46.074 48.699 63.593 1.00 0.00 WT2 H ATOM 31353 H2 TIP3 4627 44.943 47.719 63.365 1.00 0.00 WT2 H ATOM 31354 OH2 TIP3 4628 70.283 52.415 14.851 1.00 0.00 WT2 O ATOM 31355 H1 TIP3 4628 70.054 51.599 14.407 1.00 0.00 WT2 H ATOM 31356 H2 TIP3 4628 70.115 52.240 15.777 1.00 0.00 WT2 H ATOM 31357 OH2 TIP3 4641 39.141 51.112 37.391 1.00 0.00 WT2 O ATOM 31358 H1 TIP3 4641 38.673 50.943 38.208 1.00 0.00 WT2 H ATOM 31359 H2 TIP3 4641 38.800 51.953 37.088 1.00 0.00 WT2 H ATOM 31360 OH2 TIP3 4643 27.501 89.438 54.831 1.00 0.00 WT2 O ATOM 31361 H1 TIP3 4643 27.357 88.595 54.401 1.00 0.00 WT2 H ATOM 31362 H2 TIP3 4643 28.015 89.226 55.610 1.00 0.00 WT2 H ATOM 31363 OH2 TIP3 4644 46.933 40.693 33.843 1.00 0.00 WT2 O ATOM 31364 H1 TIP3 4644 46.482 39.920 33.504 1.00 0.00 WT2 H ATOM 31365 H2 TIP3 4644 47.314 41.107 33.069 1.00 0.00 WT2 H ATOM 31366 OH2 TIP3 4645 50.468 58.162 7.139 1.00 0.00 WT2 O ATOM 31367 H1 TIP3 4645 50.788 58.828 7.749 1.00 0.00 WT2 H ATOM 31368 H2 TIP3 4645 51.171 57.513 7.103 1.00 0.00 WT2 H ATOM 31369 OH2 TIP3 4647 48.649 24.972 45.699 1.00 0.00 WT2 O ATOM 31370 H1 TIP3 4647 49.597 24.876 45.781 1.00 0.00 WT2 H ATOM 31371 H2 TIP3 4647 48.402 24.349 45.016 1.00 0.00 WT2 H ATOM 31372 OH2 TIP3 4648 60.377 83.389 60.501 1.00 0.00 WT2 O ATOM 31373 H1 TIP3 4648 59.904 83.100 61.281 1.00 0.00 WT2 H ATOM 31374 H2 TIP3 4648 60.117 82.771 59.819 1.00 0.00 WT2 H ATOM 31375 OH2 TIP3 4661 36.257 50.867 25.994 1.00 0.00 WT2 O ATOM 31376 H1 TIP3 4661 36.593 50.427 25.213 1.00 0.00 WT2 H ATOM 31377 H2 TIP3 4661 37.039 51.166 26.456 1.00 0.00 WT2 H ATOM 31378 OH2 TIP3 4663 23.695 43.185 18.076 1.00 0.00 WT2 O ATOM 31379 H1 TIP3 4663 23.387 43.309 18.973 1.00 0.00 WT2 H ATOM 31380 H2 TIP3 4663 24.034 44.042 17.818 1.00 0.00 WT2 H ATOM 31381 OH2 TIP3 4664 73.134 44.175 39.432 1.00 0.00 WT2 O ATOM 31382 H1 TIP3 4664 72.572 44.333 40.191 1.00 0.00 WT2 H ATOM 31383 H2 TIP3 4664 72.873 43.310 39.117 1.00 0.00 WT2 H ATOM 31384 OH2 TIP3 4665 62.270 30.500 -7.795 1.00 0.00 WT2 O ATOM 31385 H1 TIP3 4665 61.455 30.043 -8.002 1.00 0.00 WT2 H ATOM 31386 H2 TIP3 4665 62.306 30.506 -6.839 1.00 0.00 WT2 H ATOM 31387 OH2 TIP3 4666 75.364 39.539 -2.714 1.00 0.00 WT2 O ATOM 31388 H1 TIP3 4666 74.886 38.976 -2.106 1.00 0.00 WT2 H ATOM 31389 H2 TIP3 4666 75.393 39.040 -3.531 1.00 0.00 WT2 H ATOM 31390 OH2 TIP3 4667 39.587 40.196 -15.462 1.00 0.00 WT2 O ATOM 31391 H1 TIP3 4667 40.297 40.671 -15.894 1.00 0.00 WT2 H ATOM 31392 H2 TIP3 4667 39.831 39.274 -15.542 1.00 0.00 WT2 H ATOM 31393 OH2 TIP3 4668 59.853 94.457 10.568 1.00 0.00 WT2 O ATOM 31394 H1 TIP3 4668 59.809 93.678 10.014 1.00 0.00 WT2 H ATOM 31395 H2 TIP3 4668 59.247 94.275 11.286 1.00 0.00 WT2 H ATOM 31396 OH2 TIP3 4670 79.539 80.709 48.114 1.00 0.00 WT2 O ATOM 31397 H1 TIP3 4670 79.717 80.661 47.175 1.00 0.00 WT2 H ATOM 31398 H2 TIP3 4670 78.739 80.198 48.233 1.00 0.00 WT2 H ATOM 31399 OH2 TIP3 4673 64.349 40.150 43.084 1.00 0.00 WT2 O ATOM 31400 H1 TIP3 4673 63.522 39.703 43.264 1.00 0.00 WT2 H ATOM 31401 H2 TIP3 4673 64.609 40.520 43.927 1.00 0.00 WT2 H ATOM 31402 OH2 TIP3 4675 65.000 47.176 60.918 1.00 0.00 WT2 O ATOM 31403 H1 TIP3 4675 64.212 47.703 60.786 1.00 0.00 WT2 H ATOM 31404 H2 TIP3 4675 65.542 47.358 60.151 1.00 0.00 WT2 H ATOM 31405 OH2 TIP3 4685 54.828 9.570 49.132 1.00 0.00 WT2 O ATOM 31406 H1 TIP3 4685 54.744 9.339 50.057 1.00 0.00 WT2 H ATOM 31407 H2 TIP3 4685 55.769 9.546 48.963 1.00 0.00 WT2 H ATOM 31408 OH2 TIP3 4686 79.653 44.179 4.188 1.00 0.00 WT2 O ATOM 31409 H1 TIP3 4686 79.136 44.971 4.039 1.00 0.00 WT2 H ATOM 31410 H2 TIP3 4686 79.731 44.120 5.140 1.00 0.00 WT2 H ATOM 31411 OH2 TIP3 4687 64.984 9.684 -5.085 1.00 0.00 WT2 O ATOM 31412 H1 TIP3 4687 65.837 10.116 -5.045 1.00 0.00 WT2 H ATOM 31413 H2 TIP3 4687 65.056 8.952 -4.472 1.00 0.00 WT2 H ATOM 31414 OH2 TIP3 4690 86.481 92.704 5.974 1.00 0.00 WT2 O ATOM 31415 H1 TIP3 4690 85.846 92.006 6.132 1.00 0.00 WT2 H ATOM 31416 H2 TIP3 4690 86.754 92.982 6.849 1.00 0.00 WT2 H ATOM 31417 OH2 TIP3 4694 20.961 23.917 1.036 1.00 0.00 WT2 O ATOM 31418 H1 TIP3 4694 21.772 24.140 0.580 1.00 0.00 WT2 H ATOM 31419 H2 TIP3 4694 20.277 24.021 0.374 1.00 0.00 WT2 H ATOM 31420 OH2 TIP3 4704 55.724 63.586 20.464 1.00 0.00 WT2 O ATOM 31421 H1 TIP3 4704 56.363 63.883 19.816 1.00 0.00 WT2 H ATOM 31422 H2 TIP3 4704 55.197 62.935 20.000 1.00 0.00 WT2 H ATOM 31423 OH2 TIP3 4706 54.731 10.365 -16.703 1.00 0.00 WT2 O ATOM 31424 H1 TIP3 4706 55.031 9.588 -16.232 1.00 0.00 WT2 H ATOM 31425 H2 TIP3 4706 54.034 10.044 -17.275 1.00 0.00 WT2 H ATOM 31426 OH2 TIP3 4707 67.634 42.976 49.699 1.00 0.00 WT2 O ATOM 31427 H1 TIP3 4707 67.958 42.957 48.798 1.00 0.00 WT2 H ATOM 31428 H2 TIP3 4707 66.970 42.288 49.729 1.00 0.00 WT2 H ATOM 31429 OH2 TIP3 4708 85.373 44.755 -15.336 1.00 0.00 WT2 O ATOM 31430 H1 TIP3 4708 86.263 44.932 -15.032 1.00 0.00 WT2 H ATOM 31431 H2 TIP3 4708 84.982 44.228 -14.639 1.00 0.00 WT2 H ATOM 31432 OH2 TIP3 4710 24.419 92.597 67.155 1.00 0.00 WT2 O ATOM 31433 H1 TIP3 4710 25.188 92.444 66.604 1.00 0.00 WT2 H ATOM 31434 H2 TIP3 4710 23.695 92.201 66.670 1.00 0.00 WT2 H ATOM 31435 OH2 TIP3 4713 59.103 46.800 40.693 1.00 0.00 WT2 O ATOM 31436 H1 TIP3 4713 60.014 47.090 40.651 1.00 0.00 WT2 H ATOM 31437 H2 TIP3 4713 58.634 47.537 41.085 1.00 0.00 WT2 H ATOM 31438 OH2 TIP3 4725 20.279 67.473 -8.717 1.00 0.00 WT2 O ATOM 31439 H1 TIP3 4725 21.190 67.223 -8.562 1.00 0.00 WT2 H ATOM 31440 H2 TIP3 4725 20.092 67.163 -9.603 1.00 0.00 WT2 H ATOM 31441 OH2 TIP3 4727 71.524 51.380 -7.271 1.00 0.00 WT2 O ATOM 31442 H1 TIP3 4727 72.006 51.271 -6.451 1.00 0.00 WT2 H ATOM 31443 H2 TIP3 4727 70.608 51.450 -7.004 1.00 0.00 WT2 H ATOM 31444 OH2 TIP3 4732 24.800 44.384 -13.498 1.00 0.00 WT2 O ATOM 31445 H1 TIP3 4732 24.405 43.821 -12.833 1.00 0.00 WT2 H ATOM 31446 H2 TIP3 4732 24.688 45.272 -13.158 1.00 0.00 WT2 H ATOM 31447 OH2 TIP3 4748 68.710 53.987 12.111 1.00 0.00 WT2 O ATOM 31448 H1 TIP3 4748 68.073 54.689 12.244 1.00 0.00 WT2 H ATOM 31449 H2 TIP3 4748 68.259 53.195 12.401 1.00 0.00 WT2 H ATOM 31450 OH2 TIP3 4750 39.656 57.797 63.407 1.00 0.00 WT2 O ATOM 31451 H1 TIP3 4750 38.969 58.271 63.874 1.00 0.00 WT2 H ATOM 31452 H2 TIP3 4750 39.491 57.984 62.483 1.00 0.00 WT2 H ATOM 31453 OH2 TIP3 4751 41.294 53.205 32.958 1.00 0.00 WT2 O ATOM 31454 H1 TIP3 4751 40.741 53.906 32.613 1.00 0.00 WT2 H ATOM 31455 H2 TIP3 4751 42.038 53.168 32.357 1.00 0.00 WT2 H ATOM 31456 OH2 TIP3 4767 24.388 58.240 0.046 1.00 0.00 WT2 O ATOM 31457 H1 TIP3 4767 24.954 57.963 -0.675 1.00 0.00 WT2 H ATOM 31458 H2 TIP3 4767 24.335 57.474 0.617 1.00 0.00 WT2 H ATOM 31459 OH2 TIP3 4768 59.300 75.465 56.670 1.00 0.00 WT2 O ATOM 31460 H1 TIP3 4768 58.974 76.245 56.219 1.00 0.00 WT2 H ATOM 31461 H2 TIP3 4768 58.514 75.043 57.018 1.00 0.00 WT2 H ATOM 31462 OH2 TIP3 4770 45.823 13.199 3.755 1.00 0.00 WT2 O ATOM 31463 H1 TIP3 4770 44.900 13.389 3.588 1.00 0.00 WT2 H ATOM 31464 H2 TIP3 4770 46.252 14.055 3.733 1.00 0.00 WT2 H ATOM 31465 OH2 TIP3 4774 51.887 56.004 47.474 1.00 0.00 WT2 O ATOM 31466 H1 TIP3 4774 50.963 55.797 47.335 1.00 0.00 WT2 H ATOM 31467 H2 TIP3 4774 52.244 56.112 46.592 1.00 0.00 WT2 H ATOM 31468 OH2 TIP3 4787 30.750 27.091 51.096 1.00 0.00 WT2 O ATOM 31469 H1 TIP3 4787 30.446 26.343 50.583 1.00 0.00 WT2 H ATOM 31470 H2 TIP3 4787 30.001 27.329 51.641 1.00 0.00 WT2 H ATOM 31471 OH2 TIP3 4790 86.107 84.620 45.518 1.00 0.00 WT2 O ATOM 31472 H1 TIP3 4790 86.077 83.844 44.959 1.00 0.00 WT2 H ATOM 31473 H2 TIP3 4790 87.023 84.686 45.787 1.00 0.00 WT2 H ATOM 31474 OH2 TIP3 4791 33.848 5.796 52.381 1.00 0.00 WT2 O ATOM 31475 H1 TIP3 4791 34.516 5.954 53.048 1.00 0.00 WT2 H ATOM 31476 H2 TIP3 4791 33.930 6.536 51.779 1.00 0.00 WT2 H ATOM 31477 OH2 TIP3 4792 47.925 65.301 -13.965 1.00 0.00 WT2 O ATOM 31478 H1 TIP3 4792 47.238 64.816 -13.507 1.00 0.00 WT2 H ATOM 31479 H2 TIP3 4792 47.455 65.955 -14.481 1.00 0.00 WT2 H ATOM 31480 OH2 TIP3 4793 22.214 82.878 57.928 1.00 0.00 WT2 O ATOM 31481 H1 TIP3 4793 21.604 83.136 58.619 1.00 0.00 WT2 H ATOM 31482 H2 TIP3 4793 22.978 82.539 58.396 1.00 0.00 WT2 H ATOM 31483 OH2 TIP3 4794 63.802 25.911 45.163 1.00 0.00 WT2 O ATOM 31484 H1 TIP3 4794 63.203 26.147 44.454 1.00 0.00 WT2 H ATOM 31485 H2 TIP3 4794 63.231 25.611 45.870 1.00 0.00 WT2 H ATOM 31486 OH2 TIP3 4808 47.342 47.847 45.985 1.00 0.00 WT2 O ATOM 31487 H1 TIP3 4808 47.110 47.781 45.058 1.00 0.00 WT2 H ATOM 31488 H2 TIP3 4808 47.342 48.787 46.165 1.00 0.00 WT2 H ATOM 31489 OH2 TIP3 4809 52.023 65.486 48.812 1.00 0.00 WT2 O ATOM 31490 H1 TIP3 4809 51.918 66.340 48.393 1.00 0.00 WT2 H ATOM 31491 H2 TIP3 4809 52.377 64.923 48.124 1.00 0.00 WT2 H ATOM 31492 OH2 TIP3 4811 41.043 69.163 -12.899 1.00 0.00 WT2 O ATOM 31493 H1 TIP3 4811 41.198 68.754 -12.048 1.00 0.00 WT2 H ATOM 31494 H2 TIP3 4811 40.951 70.096 -12.704 1.00 0.00 WT2 H ATOM 31495 OH2 TIP3 4813 32.383 90.357 60.100 1.00 0.00 WT2 O ATOM 31496 H1 TIP3 4813 31.555 89.894 60.224 1.00 0.00 WT2 H ATOM 31497 H2 TIP3 4813 32.908 89.768 59.558 1.00 0.00 WT2 H ATOM 31498 OH2 TIP3 4816 79.541 42.782 9.288 1.00 0.00 WT2 O ATOM 31499 H1 TIP3 4816 78.648 42.511 9.497 1.00 0.00 WT2 H ATOM 31500 H2 TIP3 4816 80.063 42.483 10.032 1.00 0.00 WT2 H ATOM 31501 OH2 TIP3 4832 74.872 63.532 59.716 1.00 0.00 WT2 O ATOM 31502 H1 TIP3 4832 75.586 63.031 59.322 1.00 0.00 WT2 H ATOM 31503 H2 TIP3 4832 74.963 64.410 59.346 1.00 0.00 WT2 H ATOM 31504 OH2 TIP3 4834 49.402 20.367 30.558 1.00 0.00 WT2 O ATOM 31505 H1 TIP3 4834 48.861 21.144 30.416 1.00 0.00 WT2 H ATOM 31506 H2 TIP3 4834 49.210 19.801 29.809 1.00 0.00 WT2 H ATOM 31507 OH2 TIP3 4835 26.810 8.970 -4.900 1.00 0.00 WT2 O ATOM 31508 H1 TIP3 4835 26.349 9.771 -4.650 1.00 0.00 WT2 H ATOM 31509 H2 TIP3 4835 26.115 8.328 -5.044 1.00 0.00 WT2 H ATOM 31510 OH2 TIP3 4836 22.935 91.142 13.162 1.00 0.00 WT2 O ATOM 31511 H1 TIP3 4836 22.629 90.803 12.321 1.00 0.00 WT2 H ATOM 31512 H2 TIP3 4836 22.611 90.513 13.806 1.00 0.00 WT2 H ATOM 31513 OH2 TIP3 4839 41.166 19.698 53.068 1.00 0.00 WT2 O ATOM 31514 H1 TIP3 4839 41.407 18.841 52.715 1.00 0.00 WT2 H ATOM 31515 H2 TIP3 4839 41.116 20.268 52.301 1.00 0.00 WT2 H ATOM 31516 OH2 TIP3 4841 73.709 56.236 48.895 1.00 0.00 WT2 O ATOM 31517 H1 TIP3 4841 73.337 56.011 48.042 1.00 0.00 WT2 H ATOM 31518 H2 TIP3 4841 73.471 57.154 49.026 1.00 0.00 WT2 H ATOM 31519 OH2 TIP3 4849 22.007 10.754 35.332 1.00 0.00 WT2 O ATOM 31520 H1 TIP3 4849 22.882 10.563 34.995 1.00 0.00 WT2 H ATOM 31521 H2 TIP3 4849 21.664 11.426 34.743 1.00 0.00 WT2 H ATOM 31522 OH2 TIP3 4851 35.142 31.860 35.854 1.00 0.00 WT2 O ATOM 31523 H1 TIP3 4851 35.802 31.811 35.163 1.00 0.00 WT2 H ATOM 31524 H2 TIP3 4851 35.155 32.776 36.134 1.00 0.00 WT2 H ATOM 31525 OH2 TIP3 4853 51.274 3.126 55.813 1.00 0.00 WT2 O ATOM 31526 H1 TIP3 4853 50.381 3.447 55.682 1.00 0.00 WT2 H ATOM 31527 H2 TIP3 4853 51.324 2.932 56.749 1.00 0.00 WT2 H ATOM 31528 OH2 TIP3 4854 53.764 93.298 35.407 1.00 0.00 WT2 O ATOM 31529 H1 TIP3 4854 53.065 93.910 35.638 1.00 0.00 WT2 H ATOM 31530 H2 TIP3 4854 53.513 92.959 34.548 1.00 0.00 WT2 H ATOM 31531 OH2 TIP3 4855 23.498 82.841 -12.369 1.00 0.00 WT2 O ATOM 31532 H1 TIP3 4855 24.401 82.529 -12.433 1.00 0.00 WT2 H ATOM 31533 H2 TIP3 4855 22.969 82.044 -12.352 1.00 0.00 WT2 H ATOM 31534 OH2 TIP3 4857 67.938 3.887 49.427 1.00 0.00 WT2 O ATOM 31535 H1 TIP3 4857 68.246 2.999 49.610 1.00 0.00 WT2 H ATOM 31536 H2 TIP3 4857 67.697 4.239 50.284 1.00 0.00 WT2 H ATOM 31537 OH2 TIP3 4859 35.326 34.958 -6.858 1.00 0.00 WT2 O ATOM 31538 H1 TIP3 4859 35.036 34.051 -6.958 1.00 0.00 WT2 H ATOM 31539 H2 TIP3 4859 36.279 34.915 -6.940 1.00 0.00 WT2 H ATOM 31540 OH2 TIP3 4863 82.213 2.863 62.069 1.00 0.00 WT2 O ATOM 31541 H1 TIP3 4863 82.818 2.484 61.432 1.00 0.00 WT2 H ATOM 31542 H2 TIP3 4863 81.944 3.695 61.679 1.00 0.00 WT2 H ATOM 31543 OH2 TIP3 4872 33.043 20.355 -15.495 1.00 0.00 WT2 O ATOM 31544 H1 TIP3 4872 32.451 19.672 -15.179 1.00 0.00 WT2 H ATOM 31545 H2 TIP3 4872 32.616 20.698 -16.280 1.00 0.00 WT2 H ATOM 31546 OH2 TIP3 4875 46.607 89.008 -12.224 1.00 0.00 WT2 O ATOM 31547 H1 TIP3 4875 45.829 89.299 -12.699 1.00 0.00 WT2 H ATOM 31548 H2 TIP3 4875 46.276 88.386 -11.577 1.00 0.00 WT2 H ATOM 31549 OH2 TIP3 4876 80.826 93.014 -6.377 1.00 0.00 WT2 O ATOM 31550 H1 TIP3 4876 80.229 92.345 -6.043 1.00 0.00 WT2 H ATOM 31551 H2 TIP3 4876 80.419 93.314 -7.190 1.00 0.00 WT2 H ATOM 31552 OH2 TIP3 4877 71.460 81.209 -14.779 1.00 0.00 WT2 O ATOM 31553 H1 TIP3 4877 71.479 81.925 -14.144 1.00 0.00 WT2 H ATOM 31554 H2 TIP3 4877 70.529 81.056 -14.939 1.00 0.00 WT2 H ATOM 31555 OH2 TIP3 4879 87.047 38.647 50.785 1.00 0.00 WT2 O ATOM 31556 H1 TIP3 4879 86.539 39.457 50.749 1.00 0.00 WT2 H ATOM 31557 H2 TIP3 4879 86.870 38.291 51.656 1.00 0.00 WT2 H ATOM 31558 OH2 TIP3 4890 86.424 44.462 58.927 1.00 0.00 WT2 O ATOM 31559 H1 TIP3 4890 86.083 44.014 59.700 1.00 0.00 WT2 H ATOM 31560 H2 TIP3 4890 87.050 43.845 58.548 1.00 0.00 WT2 H ATOM 31561 OH2 TIP3 4896 40.652 86.138 -2.924 1.00 0.00 WT2 O ATOM 31562 H1 TIP3 4896 40.331 86.136 -2.022 1.00 0.00 WT2 H ATOM 31563 H2 TIP3 4896 41.600 86.033 -2.842 1.00 0.00 WT2 H ATOM 31564 OH2 TIP3 4897 74.817 30.659 15.057 1.00 0.00 WT2 O ATOM 31565 H1 TIP3 4897 75.410 31.200 15.578 1.00 0.00 WT2 H ATOM 31566 H2 TIP3 4897 74.130 31.262 14.771 1.00 0.00 WT2 H ATOM 31567 OH2 TIP3 4898 69.700 44.227 39.075 1.00 0.00 WT2 O ATOM 31568 H1 TIP3 4898 70.059 45.114 39.114 1.00 0.00 WT2 H ATOM 31569 H2 TIP3 4898 69.556 43.987 39.991 1.00 0.00 WT2 H ATOM 31570 OH2 TIP3 4899 42.510 79.613 43.094 1.00 0.00 WT2 O ATOM 31571 H1 TIP3 4899 43.394 79.978 43.122 1.00 0.00 WT2 H ATOM 31572 H2 TIP3 4899 42.592 78.826 42.557 1.00 0.00 WT2 H ATOM 31573 OH2 TIP3 4904 37.087 23.113 -10.229 1.00 0.00 WT2 O ATOM 31574 H1 TIP3 4904 37.937 23.507 -10.427 1.00 0.00 WT2 H ATOM 31575 H2 TIP3 4904 36.554 23.291 -11.004 1.00 0.00 WT2 H ATOM 31576 OH2 TIP3 4914 25.188 78.081 19.778 1.00 0.00 WT2 O ATOM 31577 H1 TIP3 4914 24.380 78.105 19.265 1.00 0.00 WT2 H ATOM 31578 H2 TIP3 4914 24.942 77.647 20.594 1.00 0.00 WT2 H ATOM 31579 OH2 TIP3 4915 23.616 11.273 66.734 1.00 0.00 WT2 O ATOM 31580 H1 TIP3 4915 24.483 10.890 66.600 1.00 0.00 WT2 H ATOM 31581 H2 TIP3 4915 23.732 11.878 67.467 1.00 0.00 WT2 H ATOM 31582 OH2 TIP3 4916 60.336 48.255 45.246 1.00 0.00 WT2 O ATOM 31583 H1 TIP3 4916 60.491 47.434 44.778 1.00 0.00 WT2 H ATOM 31584 H2 TIP3 4916 60.784 48.918 44.721 1.00 0.00 WT2 H ATOM 31585 OH2 TIP3 4918 72.658 57.210 39.215 1.00 0.00 WT2 O ATOM 31586 H1 TIP3 4918 71.754 57.404 38.967 1.00 0.00 WT2 H ATOM 31587 H2 TIP3 4918 73.099 58.060 39.198 1.00 0.00 WT2 H ATOM 31588 OH2 TIP3 4919 41.596 24.446 50.121 1.00 0.00 WT2 O ATOM 31589 H1 TIP3 4919 41.785 24.047 49.272 1.00 0.00 WT2 H ATOM 31590 H2 TIP3 4919 42.437 24.798 50.413 1.00 0.00 WT2 H ATOM 31591 OH2 TIP3 4921 25.181 79.040 9.465 1.00 0.00 WT2 O ATOM 31592 H1 TIP3 4921 26.114 78.905 9.625 1.00 0.00 WT2 H ATOM 31593 H2 TIP3 4921 24.744 78.533 10.149 1.00 0.00 WT2 H ATOM 31594 OH2 TIP3 4922 75.485 55.947 -13.797 1.00 0.00 WT2 O ATOM 31595 H1 TIP3 4922 74.973 55.151 -13.941 1.00 0.00 WT2 H ATOM 31596 H2 TIP3 4922 74.867 56.562 -13.402 1.00 0.00 WT2 H ATOM 31597 OH2 TIP3 4924 46.282 6.043 0.214 1.00 0.00 WT2 O ATOM 31598 H1 TIP3 4924 46.818 5.280 0.001 1.00 0.00 WT2 H ATOM 31599 H2 TIP3 4924 45.474 5.676 0.575 1.00 0.00 WT2 H ATOM 31600 OH2 TIP3 4934 86.482 39.638 61.915 1.00 0.00 WT2 O ATOM 31601 H1 TIP3 4934 86.938 39.101 62.563 1.00 0.00 WT2 H ATOM 31602 H2 TIP3 4934 86.839 40.518 62.038 1.00 0.00 WT2 H ATOM 31603 OH2 TIP3 4935 30.336 45.744 -3.002 1.00 0.00 WT2 O ATOM 31604 H1 TIP3 4935 29.437 45.470 -2.821 1.00 0.00 WT2 H ATOM 31605 H2 TIP3 4935 30.602 45.213 -3.753 1.00 0.00 WT2 H ATOM 31606 OH2 TIP3 4936 39.400 94.105 -10.798 1.00 0.00 WT2 O ATOM 31607 H1 TIP3 4936 39.499 94.839 -10.193 1.00 0.00 WT2 H ATOM 31608 H2 TIP3 4936 40.211 93.605 -10.704 1.00 0.00 WT2 H ATOM 31609 OH2 TIP3 4937 57.221 28.510 -14.509 1.00 0.00 WT2 O ATOM 31610 H1 TIP3 4937 56.280 28.674 -14.580 1.00 0.00 WT2 H ATOM 31611 H2 TIP3 4937 57.550 29.231 -13.972 1.00 0.00 WT2 H ATOM 31612 OH2 TIP3 4939 55.358 14.670 29.616 1.00 0.00 WT2 O ATOM 31613 H1 TIP3 4939 54.662 15.083 29.105 1.00 0.00 WT2 H ATOM 31614 H2 TIP3 4939 54.986 14.568 30.491 1.00 0.00 WT2 H ATOM 31615 OH2 TIP3 4942 37.318 80.371 53.405 1.00 0.00 WT2 O ATOM 31616 H1 TIP3 4942 38.140 80.860 53.371 1.00 0.00 WT2 H ATOM 31617 H2 TIP3 4942 37.126 80.161 52.491 1.00 0.00 WT2 H ATOM 31618 OH2 TIP3 4956 53.724 89.443 55.323 1.00 0.00 WT2 O ATOM 31619 H1 TIP3 4956 54.590 89.562 54.932 1.00 0.00 WT2 H ATOM 31620 H2 TIP3 4956 53.118 89.805 54.676 1.00 0.00 WT2 H ATOM 31621 OH2 TIP3 4957 35.850 51.851 64.555 1.00 0.00 WT2 O ATOM 31622 H1 TIP3 4957 35.346 52.639 64.757 1.00 0.00 WT2 H ATOM 31623 H2 TIP3 4957 35.230 51.132 64.677 1.00 0.00 WT2 H ATOM 31624 OH2 TIP3 4962 85.966 48.245 43.044 1.00 0.00 WT2 O ATOM 31625 H1 TIP3 4962 85.783 47.403 43.461 1.00 0.00 WT2 H ATOM 31626 H2 TIP3 4962 85.733 48.113 42.125 1.00 0.00 WT2 H ATOM 31627 OH2 TIP3 4963 58.466 55.631 52.062 1.00 0.00 WT2 O ATOM 31628 H1 TIP3 4963 58.553 55.896 51.146 1.00 0.00 WT2 H ATOM 31629 H2 TIP3 4963 57.715 55.038 52.071 1.00 0.00 WT2 H ATOM 31630 OH2 TIP3 4965 38.615 21.062 36.901 1.00 0.00 WT2 O ATOM 31631 H1 TIP3 4965 39.108 20.435 36.371 1.00 0.00 WT2 H ATOM 31632 H2 TIP3 4965 37.698 20.866 36.713 1.00 0.00 WT2 H ATOM 31633 OH2 TIP3 4978 52.579 28.620 66.754 1.00 0.00 WT2 O ATOM 31634 H1 TIP3 4978 51.871 28.064 67.079 1.00 0.00 WT2 H ATOM 31635 H2 TIP3 4978 52.357 29.498 67.067 1.00 0.00 WT2 H ATOM 31636 OH2 TIP3 4980 83.679 25.408 -12.818 1.00 0.00 WT2 O ATOM 31637 H1 TIP3 4980 84.498 25.815 -13.098 1.00 0.00 WT2 H ATOM 31638 H2 TIP3 4980 83.017 25.770 -13.406 1.00 0.00 WT2 H ATOM 31639 OH2 TIP3 4981 49.215 87.821 -12.698 1.00 0.00 WT2 O ATOM 31640 H1 TIP3 4981 48.293 88.076 -12.716 1.00 0.00 WT2 H ATOM 31641 H2 TIP3 4981 49.601 88.367 -12.012 1.00 0.00 WT2 H ATOM 31642 OH2 TIP3 4982 45.145 64.462 8.341 1.00 0.00 WT2 O ATOM 31643 H1 TIP3 4982 45.150 64.760 9.251 1.00 0.00 WT2 H ATOM 31644 H2 TIP3 4982 45.865 63.834 8.291 1.00 0.00 WT2 H ATOM 31645 OH2 TIP3 4983 74.088 30.509 49.342 1.00 0.00 WT2 O ATOM 31646 H1 TIP3 4983 74.533 30.341 48.512 1.00 0.00 WT2 H ATOM 31647 H2 TIP3 4983 73.156 30.434 49.134 1.00 0.00 WT2 H ATOM 31648 OH2 TIP3 4985 50.426 21.387 33.809 1.00 0.00 WT2 O ATOM 31649 H1 TIP3 4985 50.277 20.512 33.451 1.00 0.00 WT2 H ATOM 31650 H2 TIP3 4985 50.688 21.914 33.055 1.00 0.00 WT2 H ATOM 31651 OH2 TIP3 4996 45.140 87.437 -5.047 1.00 0.00 WT2 O ATOM 31652 H1 TIP3 4996 44.769 87.704 -4.206 1.00 0.00 WT2 H ATOM 31653 H2 TIP3 4996 44.981 86.494 -5.090 1.00 0.00 WT2 H ATOM 31654 OH2 TIP3 4998 59.604 9.585 60.238 1.00 0.00 WT2 O ATOM 31655 H1 TIP3 4998 60.415 9.781 60.707 1.00 0.00 WT2 H ATOM 31656 H2 TIP3 4998 59.877 9.028 59.509 1.00 0.00 WT2 H ATOM 31657 OH2 TIP3 4999 43.151 55.201 -17.520 1.00 0.00 WT2 O ATOM 31658 H1 TIP3 4999 43.864 54.600 -17.736 1.00 0.00 WT2 H ATOM 31659 H2 TIP3 4999 43.237 55.913 -18.153 1.00 0.00 WT2 H ATOM 31660 OH2 TIP3 5000 48.770 41.082 -16.311 1.00 0.00 WT2 O ATOM 31661 H1 TIP3 5000 49.412 41.473 -16.903 1.00 0.00 WT2 H ATOM 31662 H2 TIP3 5000 49.052 40.172 -16.217 1.00 0.00 WT2 H ATOM 31663 OH2 TIP3 5001 34.290 68.300 20.516 1.00 0.00 WT2 O ATOM 31664 H1 TIP3 5001 34.963 68.881 20.871 1.00 0.00 WT2 H ATOM 31665 H2 TIP3 5001 34.734 67.460 20.404 1.00 0.00 WT2 H ATOM 31666 OH2 TIP3 5002 70.266 21.067 -12.230 1.00 0.00 WT2 O ATOM 31667 H1 TIP3 5002 71.181 21.337 -12.309 1.00 0.00 WT2 H ATOM 31668 H2 TIP3 5002 69.796 21.874 -12.020 1.00 0.00 WT2 H ATOM 31669 OH2 TIP3 5004 76.918 39.047 29.385 1.00 0.00 WT2 O ATOM 31670 H1 TIP3 5004 77.274 39.165 30.266 1.00 0.00 WT2 H ATOM 31671 H2 TIP3 5004 76.441 39.858 29.209 1.00 0.00 WT2 H ATOM 31672 OH2 TIP3 5005 21.526 27.068 9.931 1.00 0.00 WT2 O ATOM 31673 H1 TIP3 5005 20.919 26.530 10.439 1.00 0.00 WT2 H ATOM 31674 H2 TIP3 5005 21.576 27.893 10.413 1.00 0.00 WT2 H ATOM 31675 OH2 TIP3 5019 67.822 15.373 33.947 1.00 0.00 WT2 O ATOM 31676 H1 TIP3 5019 68.267 14.748 34.520 1.00 0.00 WT2 H ATOM 31677 H2 TIP3 5019 68.507 15.686 33.356 1.00 0.00 WT2 H ATOM 31678 OH2 TIP3 5021 53.678 18.051 44.173 1.00 0.00 WT2 O ATOM 31679 H1 TIP3 5021 53.767 17.541 43.368 1.00 0.00 WT2 H ATOM 31680 H2 TIP3 5021 54.539 18.448 44.303 1.00 0.00 WT2 H ATOM 31681 OH2 TIP3 5023 27.306 40.958 47.187 1.00 0.00 WT2 O ATOM 31682 H1 TIP3 5023 26.417 41.279 47.033 1.00 0.00 WT2 H ATOM 31683 H2 TIP3 5023 27.851 41.460 46.580 1.00 0.00 WT2 H ATOM 31684 OH2 TIP3 5025 65.293 7.279 -7.144 1.00 0.00 WT2 O ATOM 31685 H1 TIP3 5025 64.340 7.192 -7.122 1.00 0.00 WT2 H ATOM 31686 H2 TIP3 5025 65.469 8.096 -6.677 1.00 0.00 WT2 H ATOM 31687 OH2 TIP3 5040 80.733 9.737 53.210 1.00 0.00 WT2 O ATOM 31688 H1 TIP3 5040 80.310 10.530 53.540 1.00 0.00 WT2 H ATOM 31689 H2 TIP3 5040 80.407 9.645 52.315 1.00 0.00 WT2 H ATOM 31690 OH2 TIP3 5043 70.287 34.768 59.623 1.00 0.00 WT2 O ATOM 31691 H1 TIP3 5043 69.590 35.054 59.032 1.00 0.00 WT2 H ATOM 31692 H2 TIP3 5043 70.627 35.578 60.002 1.00 0.00 WT2 H ATOM 31693 OH2 TIP3 5044 27.153 7.832 41.898 1.00 0.00 WT2 O ATOM 31694 H1 TIP3 5044 27.705 8.508 41.504 1.00 0.00 WT2 H ATOM 31695 H2 TIP3 5044 26.265 8.183 41.840 1.00 0.00 WT2 H ATOM 31696 OH2 TIP3 5045 84.430 33.845 35.043 1.00 0.00 WT2 O ATOM 31697 H1 TIP3 5045 85.156 34.253 34.570 1.00 0.00 WT2 H ATOM 31698 H2 TIP3 5045 84.270 33.026 34.575 1.00 0.00 WT2 H ATOM 31699 OH2 TIP3 5049 33.699 27.217 -6.763 1.00 0.00 WT2 O ATOM 31700 H1 TIP3 5049 34.308 27.080 -7.489 1.00 0.00 WT2 H ATOM 31701 H2 TIP3 5049 33.288 28.061 -6.952 1.00 0.00 WT2 H ATOM 31702 OH2 TIP3 5060 71.681 42.447 27.335 1.00 0.00 WT2 O ATOM 31703 H1 TIP3 5060 70.935 41.878 27.524 1.00 0.00 WT2 H ATOM 31704 H2 TIP3 5060 71.649 42.578 26.387 1.00 0.00 WT2 H ATOM 31705 OH2 TIP3 5061 45.784 27.333 33.964 1.00 0.00 WT2 O ATOM 31706 H1 TIP3 5061 45.715 26.498 33.501 1.00 0.00 WT2 H ATOM 31707 H2 TIP3 5061 46.671 27.334 34.325 1.00 0.00 WT2 H ATOM 31708 OH2 TIP3 5062 27.835 56.489 63.444 1.00 0.00 WT2 O ATOM 31709 H1 TIP3 5062 28.682 56.912 63.581 1.00 0.00 WT2 H ATOM 31710 H2 TIP3 5062 27.194 57.190 63.567 1.00 0.00 WT2 H ATOM 31711 OH2 TIP3 5063 86.832 40.717 -2.597 1.00 0.00 WT2 O ATOM 31712 H1 TIP3 5063 85.997 40.290 -2.411 1.00 0.00 WT2 H ATOM 31713 H2 TIP3 5063 86.789 41.547 -2.122 1.00 0.00 WT2 H ATOM 31714 OH2 TIP3 5064 46.863 73.711 61.612 1.00 0.00 WT2 O ATOM 31715 H1 TIP3 5064 46.761 72.790 61.851 1.00 0.00 WT2 H ATOM 31716 H2 TIP3 5064 47.259 73.691 60.740 1.00 0.00 WT2 H ATOM 31717 OH2 TIP3 5067 33.900 11.492 38.262 1.00 0.00 WT2 O ATOM 31718 H1 TIP3 5067 33.547 10.603 38.277 1.00 0.00 WT2 H ATOM 31719 H2 TIP3 5067 33.598 11.885 39.080 1.00 0.00 WT2 H ATOM 31720 OH2 TIP3 5068 84.051 26.979 29.059 1.00 0.00 WT2 O ATOM 31721 H1 TIP3 5068 84.667 27.614 28.692 1.00 0.00 WT2 H ATOM 31722 H2 TIP3 5068 84.456 26.700 29.880 1.00 0.00 WT2 H ATOM 31723 OH2 TIP3 5069 90.555 26.034 17.281 1.00 0.00 WT2 O ATOM 31724 H1 TIP3 5069 91.239 25.882 16.629 1.00 0.00 WT2 H ATOM 31725 H2 TIP3 5069 89.797 26.319 16.771 1.00 0.00 WT2 H ATOM 31726 OH2 TIP3 5085 53.699 41.504 54.132 1.00 0.00 WT2 O ATOM 31727 H1 TIP3 5085 53.759 42.172 54.814 1.00 0.00 WT2 H ATOM 31728 H2 TIP3 5085 54.529 41.570 53.658 1.00 0.00 WT2 H ATOM 31729 OH2 TIP3 5088 23.722 65.369 37.354 1.00 0.00 WT2 O ATOM 31730 H1 TIP3 5088 24.567 65.542 37.769 1.00 0.00 WT2 H ATOM 31731 H2 TIP3 5088 23.209 66.162 37.514 1.00 0.00 WT2 H ATOM 31732 OH2 TIP3 5090 21.110 82.549 10.404 1.00 0.00 WT2 O ATOM 31733 H1 TIP3 5090 21.605 81.731 10.351 1.00 0.00 WT2 H ATOM 31734 H2 TIP3 5090 20.197 82.285 10.298 1.00 0.00 WT2 H ATOM 31735 OH2 TIP3 5091 58.624 46.064 66.152 1.00 0.00 WT2 O ATOM 31736 H1 TIP3 5091 59.069 46.740 66.662 1.00 0.00 WT2 H ATOM 31737 H2 TIP3 5091 58.128 46.548 65.492 1.00 0.00 WT2 H ATOM 31738 OH2 TIP3 5097 43.658 67.772 58.658 1.00 0.00 WT2 O ATOM 31739 H1 TIP3 5097 44.269 68.496 58.517 1.00 0.00 WT2 H ATOM 31740 H2 TIP3 5097 44.149 66.991 58.404 1.00 0.00 WT2 H ATOM 31741 OH2 TIP3 5104 29.145 14.614 43.358 1.00 0.00 WT2 O ATOM 31742 H1 TIP3 5104 28.305 14.188 43.186 1.00 0.00 WT2 H ATOM 31743 H2 TIP3 5104 29.605 14.012 43.942 1.00 0.00 WT2 H ATOM 31744 OH2 TIP3 5106 33.765 40.488 60.946 1.00 0.00 WT2 O ATOM 31745 H1 TIP3 5106 34.259 40.599 61.758 1.00 0.00 WT2 H ATOM 31746 H2 TIP3 5106 33.720 41.367 60.570 1.00 0.00 WT2 H ATOM 31747 OH2 TIP3 5108 89.137 10.915 -19.347 1.00 0.00 WT2 O ATOM 31748 H1 TIP3 5108 89.378 10.129 -19.838 1.00 0.00 WT2 H ATOM 31749 H2 TIP3 5108 88.348 11.237 -19.783 1.00 0.00 WT2 H ATOM 31750 OH2 TIP3 5109 56.238 13.170 27.255 1.00 0.00 WT2 O ATOM 31751 H1 TIP3 5109 55.575 13.667 27.735 1.00 0.00 WT2 H ATOM 31752 H2 TIP3 5109 55.801 12.352 27.019 1.00 0.00 WT2 H ATOM 31753 OH2 TIP3 5110 45.293 14.532 31.824 1.00 0.00 WT2 O ATOM 31754 H1 TIP3 5110 46.157 14.201 32.069 1.00 0.00 WT2 H ATOM 31755 H2 TIP3 5110 45.472 15.207 31.169 1.00 0.00 WT2 H ATOM 31756 OH2 TIP3 5111 40.420 48.636 59.110 1.00 0.00 WT2 O ATOM 31757 H1 TIP3 5111 39.891 48.861 58.345 1.00 0.00 WT2 H ATOM 31758 H2 TIP3 5111 39.863 48.850 59.859 1.00 0.00 WT2 H ATOM 31759 OH2 TIP3 5126 51.368 1.944 25.995 1.00 0.00 WT2 O ATOM 31760 H1 TIP3 5126 50.959 2.478 25.314 1.00 0.00 WT2 H ATOM 31761 H2 TIP3 5126 51.618 1.135 25.547 1.00 0.00 WT2 H ATOM 31762 OH2 TIP3 5127 39.656 41.669 5.648 1.00 0.00 WT2 O ATOM 31763 H1 TIP3 5127 39.692 41.345 4.748 1.00 0.00 WT2 H ATOM 31764 H2 TIP3 5127 38.724 41.680 5.863 1.00 0.00 WT2 H ATOM 31765 OH2 TIP3 5128 81.111 12.613 61.301 1.00 0.00 WT2 O ATOM 31766 H1 TIP3 5128 81.127 11.656 61.267 1.00 0.00 WT2 H ATOM 31767 H2 TIP3 5128 81.634 12.833 62.072 1.00 0.00 WT2 H ATOM 31768 OH2 TIP3 5129 87.920 36.356 14.632 1.00 0.00 WT2 O ATOM 31769 H1 TIP3 5129 87.289 37.066 14.510 1.00 0.00 WT2 H ATOM 31770 H2 TIP3 5129 87.391 35.559 14.608 1.00 0.00 WT2 H ATOM 31771 OH2 TIP3 5130 24.195 31.806 62.038 1.00 0.00 WT2 O ATOM 31772 H1 TIP3 5130 24.029 32.677 62.398 1.00 0.00 WT2 H ATOM 31773 H2 TIP3 5130 24.550 31.306 62.772 1.00 0.00 WT2 H ATOM 31774 OH2 TIP3 5131 41.099 48.407 -2.819 1.00 0.00 WT2 O ATOM 31775 H1 TIP3 5131 41.860 48.849 -3.193 1.00 0.00 WT2 H ATOM 31776 H2 TIP3 5131 41.365 48.183 -1.927 1.00 0.00 WT2 H ATOM 31777 OH2 TIP3 5132 23.444 55.063 24.418 1.00 0.00 WT2 O ATOM 31778 H1 TIP3 5132 24.305 55.230 24.036 1.00 0.00 WT2 H ATOM 31779 H2 TIP3 5132 22.864 55.690 23.986 1.00 0.00 WT2 H ATOM 31780 OH2 TIP3 5133 51.798 66.915 -16.193 1.00 0.00 WT2 O ATOM 31781 H1 TIP3 5133 52.046 67.487 -15.467 1.00 0.00 WT2 H ATOM 31782 H2 TIP3 5133 51.437 66.135 -15.772 1.00 0.00 WT2 H ATOM 31783 OH2 TIP3 5134 24.759 22.399 4.932 1.00 0.00 WT2 O ATOM 31784 H1 TIP3 5134 24.700 23.242 5.382 1.00 0.00 WT2 H ATOM 31785 H2 TIP3 5134 25.683 22.316 4.697 1.00 0.00 WT2 H ATOM 31786 OH2 TIP3 5146 52.022 44.226 40.958 1.00 0.00 WT2 O ATOM 31787 H1 TIP3 5146 51.125 43.958 40.759 1.00 0.00 WT2 H ATOM 31788 H2 TIP3 5146 52.179 44.981 40.391 1.00 0.00 WT2 H ATOM 31789 OH2 TIP3 5148 61.717 58.762 64.777 1.00 0.00 WT2 O ATOM 31790 H1 TIP3 5148 61.539 58.280 65.584 1.00 0.00 WT2 H ATOM 31791 H2 TIP3 5148 61.057 59.456 64.761 1.00 0.00 WT2 H ATOM 31792 OH2 TIP3 5149 73.587 25.819 65.997 1.00 0.00 WT2 O ATOM 31793 H1 TIP3 5149 73.066 26.621 66.017 1.00 0.00 WT2 H ATOM 31794 H2 TIP3 5149 73.117 25.213 66.570 1.00 0.00 WT2 H ATOM 31795 OH2 TIP3 5151 32.804 4.713 45.677 1.00 0.00 WT2 O ATOM 31796 H1 TIP3 5151 33.757 4.758 45.594 1.00 0.00 WT2 H ATOM 31797 H2 TIP3 5151 32.474 5.082 44.858 1.00 0.00 WT2 H ATOM 31798 OH2 TIP3 5152 72.443 52.778 7.156 1.00 0.00 WT2 O ATOM 31799 H1 TIP3 5152 71.813 52.206 6.718 1.00 0.00 WT2 H ATOM 31800 H2 TIP3 5152 71.943 53.567 7.368 1.00 0.00 WT2 H ATOM 31801 OH2 TIP3 5156 47.825 94.621 47.743 1.00 0.00 WT2 O ATOM 31802 H1 TIP3 5156 48.198 95.156 47.042 1.00 0.00 WT2 H ATOM 31803 H2 TIP3 5156 48.518 93.999 47.965 1.00 0.00 WT2 H ATOM 31804 OH2 TIP3 5162 57.284 90.482 -1.375 1.00 0.00 WT2 O ATOM 31805 H1 TIP3 5162 56.356 90.714 -1.347 1.00 0.00 WT2 H ATOM 31806 H2 TIP3 5162 57.469 90.343 -2.304 1.00 0.00 WT2 H ATOM 31807 OH2 TIP3 5164 40.642 22.006 -14.661 1.00 0.00 WT2 O ATOM 31808 H1 TIP3 5164 40.763 22.617 -15.387 1.00 0.00 WT2 H ATOM 31809 H2 TIP3 5164 39.704 22.038 -14.474 1.00 0.00 WT2 H ATOM 31810 OH2 TIP3 5165 77.619 30.102 34.826 1.00 0.00 WT2 O ATOM 31811 H1 TIP3 5165 77.988 30.904 35.197 1.00 0.00 WT2 H ATOM 31812 H2 TIP3 5165 76.845 29.924 35.361 1.00 0.00 WT2 H ATOM 31813 OH2 TIP3 5166 31.491 13.214 -0.217 1.00 0.00 WT2 O ATOM 31814 H1 TIP3 5166 31.738 13.152 0.706 1.00 0.00 WT2 H ATOM 31815 H2 TIP3 5166 31.807 12.398 -0.605 1.00 0.00 WT2 H ATOM 31816 OH2 TIP3 5172 52.825 34.034 51.507 1.00 0.00 WT2 O ATOM 31817 H1 TIP3 5172 51.948 34.407 51.417 1.00 0.00 WT2 H ATOM 31818 H2 TIP3 5172 53.182 34.046 50.619 1.00 0.00 WT2 H ATOM 31819 OH2 TIP3 5173 74.313 35.710 -1.918 1.00 0.00 WT2 O ATOM 31820 H1 TIP3 5173 73.775 35.443 -1.172 1.00 0.00 WT2 H ATOM 31821 H2 TIP3 5173 73.710 36.182 -2.492 1.00 0.00 WT2 H ATOM 31822 OH2 TIP3 5186 55.141 70.921 52.912 1.00 0.00 WT2 O ATOM 31823 H1 TIP3 5186 55.618 70.423 52.248 1.00 0.00 WT2 H ATOM 31824 H2 TIP3 5186 55.594 71.763 52.951 1.00 0.00 WT2 H ATOM 31825 OH2 TIP3 5189 61.782 47.339 2.074 1.00 0.00 WT2 O ATOM 31826 H1 TIP3 5189 61.426 46.911 2.853 1.00 0.00 WT2 H ATOM 31827 H2 TIP3 5189 62.724 47.173 2.119 1.00 0.00 WT2 H ATOM 31828 OH2 TIP3 5190 25.215 28.046 -14.495 1.00 0.00 WT2 O ATOM 31829 H1 TIP3 5190 25.894 27.563 -14.966 1.00 0.00 WT2 H ATOM 31830 H2 TIP3 5190 25.674 28.445 -13.755 1.00 0.00 WT2 H ATOM 31831 OH2 TIP3 5191 51.916 10.356 50.548 1.00 0.00 WT2 O ATOM 31832 H1 TIP3 5191 51.736 9.417 50.504 1.00 0.00 WT2 H ATOM 31833 H2 TIP3 5191 51.184 10.763 50.085 1.00 0.00 WT2 H ATOM 31834 OH2 TIP3 5193 29.504 55.146 -8.739 1.00 0.00 WT2 O ATOM 31835 H1 TIP3 5193 29.664 54.748 -7.883 1.00 0.00 WT2 H ATOM 31836 H2 TIP3 5193 30.310 54.990 -9.231 1.00 0.00 WT2 H ATOM 31837 OH2 TIP3 5194 20.814 40.667 -3.875 1.00 0.00 WT2 O ATOM 31838 H1 TIP3 5194 20.715 41.101 -3.027 1.00 0.00 WT2 H ATOM 31839 H2 TIP3 5194 20.628 41.351 -4.518 1.00 0.00 WT2 H ATOM 31840 OH2 TIP3 5206 44.627 41.998 54.214 1.00 0.00 WT2 O ATOM 31841 H1 TIP3 5206 45.344 42.226 53.623 1.00 0.00 WT2 H ATOM 31842 H2 TIP3 5206 45.010 42.054 55.090 1.00 0.00 WT2 H ATOM 31843 OH2 TIP3 5211 86.011 61.891 -4.001 1.00 0.00 WT2 O ATOM 31844 H1 TIP3 5211 86.900 61.851 -3.647 1.00 0.00 WT2 H ATOM 31845 H2 TIP3 5211 86.003 61.240 -4.703 1.00 0.00 WT2 H ATOM 31846 OH2 TIP3 5214 46.052 48.253 51.323 1.00 0.00 WT2 O ATOM 31847 H1 TIP3 5214 46.892 47.863 51.083 1.00 0.00 WT2 H ATOM 31848 H2 TIP3 5214 46.279 48.958 51.929 1.00 0.00 WT2 H ATOM 31849 OH2 TIP3 5216 85.996 45.435 48.705 1.00 0.00 WT2 O ATOM 31850 H1 TIP3 5216 86.371 45.346 49.582 1.00 0.00 WT2 H ATOM 31851 H2 TIP3 5216 85.181 45.919 48.841 1.00 0.00 WT2 H ATOM 31852 OH2 TIP3 5230 47.088 54.803 50.781 1.00 0.00 WT2 O ATOM 31853 H1 TIP3 5230 46.219 54.914 51.167 1.00 0.00 WT2 H ATOM 31854 H2 TIP3 5230 47.607 55.520 51.148 1.00 0.00 WT2 H ATOM 31855 OH2 TIP3 5231 71.560 24.623 -7.039 1.00 0.00 WT2 O ATOM 31856 H1 TIP3 5231 72.348 24.671 -6.499 1.00 0.00 WT2 H ATOM 31857 H2 TIP3 5231 71.824 24.113 -7.805 1.00 0.00 WT2 H ATOM 31858 OH2 TIP3 5232 75.855 53.004 -2.091 1.00 0.00 WT2 O ATOM 31859 H1 TIP3 5232 75.370 53.274 -2.871 1.00 0.00 WT2 H ATOM 31860 H2 TIP3 5232 76.484 53.710 -1.943 1.00 0.00 WT2 H ATOM 31861 OH2 TIP3 5234 50.135 15.633 -8.537 1.00 0.00 WT2 O ATOM 31862 H1 TIP3 5234 49.352 15.574 -9.085 1.00 0.00 WT2 H ATOM 31863 H2 TIP3 5234 49.801 15.615 -7.640 1.00 0.00 WT2 H ATOM 31864 OH2 TIP3 5235 79.370 71.570 37.040 1.00 0.00 WT2 O ATOM 31865 H1 TIP3 5235 80.200 71.581 37.515 1.00 0.00 WT2 H ATOM 31866 H2 TIP3 5235 79.620 71.624 36.117 1.00 0.00 WT2 H ATOM 31867 OH2 TIP3 5239 69.079 17.111 51.515 1.00 0.00 WT2 O ATOM 31868 H1 TIP3 5239 69.087 16.729 50.637 1.00 0.00 WT2 H ATOM 31869 H2 TIP3 5239 70.003 17.240 51.729 1.00 0.00 WT2 H ATOM 31870 OH2 TIP3 5241 60.030 54.621 63.738 1.00 0.00 WT2 O ATOM 31871 H1 TIP3 5241 59.566 55.413 63.469 1.00 0.00 WT2 H ATOM 31872 H2 TIP3 5241 59.500 54.263 64.450 1.00 0.00 WT2 H ATOM 31873 OH2 TIP3 5251 44.318 6.016 21.598 1.00 0.00 WT2 O ATOM 31874 H1 TIP3 5251 45.159 5.750 21.969 1.00 0.00 WT2 H ATOM 31875 H2 TIP3 5251 44.045 5.270 21.063 1.00 0.00 WT2 H ATOM 31876 OH2 TIP3 5253 90.320 86.975 19.198 1.00 0.00 WT2 O ATOM 31877 H1 TIP3 5253 89.942 87.626 19.790 1.00 0.00 WT2 H ATOM 31878 H2 TIP3 5253 91.166 86.759 19.589 1.00 0.00 WT2 H ATOM 31879 OH2 TIP3 5255 81.485 66.370 -12.999 1.00 0.00 WT2 O ATOM 31880 H1 TIP3 5255 81.104 66.492 -12.129 1.00 0.00 WT2 H ATOM 31881 H2 TIP3 5255 81.688 65.436 -13.043 1.00 0.00 WT2 H ATOM 31882 OH2 TIP3 5256 53.509 71.070 66.554 1.00 0.00 WT2 O ATOM 31883 H1 TIP3 5256 53.060 71.338 67.356 1.00 0.00 WT2 H ATOM 31884 H2 TIP3 5256 53.500 70.114 66.582 1.00 0.00 WT2 H ATOM 31885 OH2 TIP3 5259 48.685 91.960 -2.807 1.00 0.00 WT2 O ATOM 31886 H1 TIP3 5259 48.561 91.278 -3.467 1.00 0.00 WT2 H ATOM 31887 H2 TIP3 5259 48.969 91.489 -2.024 1.00 0.00 WT2 H ATOM 31888 OH2 TIP3 5260 59.577 4.776 6.329 1.00 0.00 WT2 O ATOM 31889 H1 TIP3 5260 59.006 4.303 6.935 1.00 0.00 WT2 H ATOM 31890 H2 TIP3 5260 59.091 5.572 6.114 1.00 0.00 WT2 H ATOM 31891 OH2 TIP3 5271 28.379 82.001 54.680 1.00 0.00 WT2 O ATOM 31892 H1 TIP3 5271 28.681 81.250 55.191 1.00 0.00 WT2 H ATOM 31893 H2 TIP3 5271 27.774 81.627 54.039 1.00 0.00 WT2 H ATOM 31894 OH2 TIP3 5272 42.979 15.527 27.675 1.00 0.00 WT2 O ATOM 31895 H1 TIP3 5272 43.597 14.910 27.283 1.00 0.00 WT2 H ATOM 31896 H2 TIP3 5272 42.183 15.435 27.152 1.00 0.00 WT2 H ATOM 31897 OH2 TIP3 5274 41.945 39.408 26.219 1.00 0.00 WT2 O ATOM 31898 H1 TIP3 5274 42.159 40.326 26.384 1.00 0.00 WT2 H ATOM 31899 H2 TIP3 5274 42.715 39.058 25.771 1.00 0.00 WT2 H ATOM 31900 OH2 TIP3 5277 21.178 22.928 46.185 1.00 0.00 WT2 O ATOM 31901 H1 TIP3 5277 20.549 22.287 46.515 1.00 0.00 WT2 H ATOM 31902 H2 TIP3 5277 21.699 23.170 46.952 1.00 0.00 WT2 H ATOM 31903 OH2 TIP3 5278 79.331 84.733 53.915 1.00 0.00 WT2 O ATOM 31904 H1 TIP3 5278 79.843 84.265 53.255 1.00 0.00 WT2 H ATOM 31905 H2 TIP3 5278 78.536 85.003 53.455 1.00 0.00 WT2 H ATOM 31906 OH2 TIP3 5279 67.897 35.997 20.293 1.00 0.00 WT2 O ATOM 31907 H1 TIP3 5279 67.783 36.828 19.831 1.00 0.00 WT2 H ATOM 31908 H2 TIP3 5279 67.308 35.390 19.844 1.00 0.00 WT2 H ATOM 31909 OH2 TIP3 5293 66.584 3.235 45.746 1.00 0.00 WT2 O ATOM 31910 H1 TIP3 5293 67.522 3.167 45.921 1.00 0.00 WT2 H ATOM 31911 H2 TIP3 5293 66.521 3.839 45.006 1.00 0.00 WT2 H ATOM 31912 OH2 TIP3 5294 46.702 73.016 0.883 1.00 0.00 WT2 O ATOM 31913 H1 TIP3 5294 47.376 72.968 1.561 1.00 0.00 WT2 H ATOM 31914 H2 TIP3 5294 47.154 73.376 0.120 1.00 0.00 WT2 H ATOM 31915 OH2 TIP3 5295 88.164 24.546 -11.852 1.00 0.00 WT2 O ATOM 31916 H1 TIP3 5295 88.431 23.906 -11.192 1.00 0.00 WT2 H ATOM 31917 H2 TIP3 5295 87.706 25.225 -11.356 1.00 0.00 WT2 H ATOM 31918 OH2 TIP3 5296 67.676 84.764 51.742 1.00 0.00 WT2 O ATOM 31919 H1 TIP3 5296 67.562 84.371 52.607 1.00 0.00 WT2 H ATOM 31920 H2 TIP3 5296 67.831 84.020 51.159 1.00 0.00 WT2 H ATOM 31921 OH2 TIP3 5297 86.457 77.050 -8.208 1.00 0.00 WT2 O ATOM 31922 H1 TIP3 5297 85.791 77.701 -7.985 1.00 0.00 WT2 H ATOM 31923 H2 TIP3 5297 87.090 77.528 -8.743 1.00 0.00 WT2 H ATOM 31924 OH2 TIP3 5300 47.641 3.338 21.476 1.00 0.00 WT2 O ATOM 31925 H1 TIP3 5300 46.796 2.903 21.364 1.00 0.00 WT2 H ATOM 31926 H2 TIP3 5300 48.142 3.093 20.698 1.00 0.00 WT2 H ATOM 31927 OH2 TIP3 5301 25.574 65.153 -7.988 1.00 0.00 WT2 O ATOM 31928 H1 TIP3 5301 26.163 65.749 -7.525 1.00 0.00 WT2 H ATOM 31929 H2 TIP3 5301 24.980 64.829 -7.311 1.00 0.00 WT2 H ATOM 31930 OH2 TIP3 5304 39.535 10.297 5.953 1.00 0.00 WT2 O ATOM 31931 H1 TIP3 5304 39.432 11.249 5.939 1.00 0.00 WT2 H ATOM 31932 H2 TIP3 5304 39.006 9.988 5.218 1.00 0.00 WT2 H ATOM 31933 OH2 TIP3 5315 86.751 50.440 46.784 1.00 0.00 WT2 O ATOM 31934 H1 TIP3 5315 87.275 49.739 47.171 1.00 0.00 WT2 H ATOM 31935 H2 TIP3 5315 85.936 50.436 47.287 1.00 0.00 WT2 H ATOM 31936 OH2 TIP3 5317 54.074 8.814 12.724 1.00 0.00 WT2 O ATOM 31937 H1 TIP3 5317 53.698 9.609 13.102 1.00 0.00 WT2 H ATOM 31938 H2 TIP3 5317 54.969 9.059 12.490 1.00 0.00 WT2 H ATOM 31939 OH2 TIP3 5318 33.291 92.519 -15.986 1.00 0.00 WT2 O ATOM 31940 H1 TIP3 5318 33.825 93.298 -16.140 1.00 0.00 WT2 H ATOM 31941 H2 TIP3 5318 33.842 91.954 -15.445 1.00 0.00 WT2 H ATOM 31942 OH2 TIP3 5319 31.674 5.778 66.248 1.00 0.00 WT2 O ATOM 31943 H1 TIP3 5319 31.352 4.995 66.696 1.00 0.00 WT2 H ATOM 31944 H2 TIP3 5319 31.088 5.883 65.498 1.00 0.00 WT2 H ATOM 31945 OH2 TIP3 5320 29.720 58.517 64.021 1.00 0.00 WT2 O ATOM 31946 H1 TIP3 5320 30.470 58.486 64.615 1.00 0.00 WT2 H ATOM 31947 H2 TIP3 5320 29.738 59.402 63.658 1.00 0.00 WT2 H ATOM 31948 OH2 TIP3 5335 25.053 36.641 56.677 1.00 0.00 WT2 O ATOM 31949 H1 TIP3 5335 25.920 36.838 56.323 1.00 0.00 WT2 H ATOM 31950 H2 TIP3 5335 24.552 36.327 55.924 1.00 0.00 WT2 H ATOM 31951 OH2 TIP3 5336 56.627 65.350 67.339 1.00 0.00 WT2 O ATOM 31952 H1 TIP3 5336 56.766 64.407 67.254 1.00 0.00 WT2 H ATOM 31953 H2 TIP3 5336 56.919 65.712 66.502 1.00 0.00 WT2 H ATOM 31954 OH2 TIP3 5339 46.997 78.776 33.419 1.00 0.00 WT2 O ATOM 31955 H1 TIP3 5339 47.207 77.918 33.789 1.00 0.00 WT2 H ATOM 31956 H2 TIP3 5339 47.137 78.672 32.478 1.00 0.00 WT2 H ATOM 31957 OH2 TIP3 5340 85.108 93.931 -17.601 1.00 0.00 WT2 O ATOM 31958 H1 TIP3 5340 85.649 94.410 -16.974 1.00 0.00 WT2 H ATOM 31959 H2 TIP3 5340 85.494 93.056 -17.632 1.00 0.00 WT2 H ATOM 31960 OH2 TIP3 5341 48.545 15.192 52.559 1.00 0.00 WT2 O ATOM 31961 H1 TIP3 5341 48.112 14.683 53.245 1.00 0.00 WT2 H ATOM 31962 H2 TIP3 5341 47.860 15.352 51.910 1.00 0.00 WT2 H ATOM 31963 OH2 TIP3 5355 44.718 69.449 34.481 1.00 0.00 WT2 O ATOM 31964 H1 TIP3 5355 45.269 68.761 34.107 1.00 0.00 WT2 H ATOM 31965 H2 TIP3 5355 45.122 69.646 35.326 1.00 0.00 WT2 H ATOM 31966 OH2 TIP3 5356 64.576 23.843 26.720 1.00 0.00 WT2 O ATOM 31967 H1 TIP3 5356 64.739 24.369 27.503 1.00 0.00 WT2 H ATOM 31968 H2 TIP3 5356 63.900 24.325 26.244 1.00 0.00 WT2 H ATOM 31969 OH2 TIP3 5357 64.168 53.312 57.549 1.00 0.00 WT2 O ATOM 31970 H1 TIP3 5357 63.876 52.761 56.822 1.00 0.00 WT2 H ATOM 31971 H2 TIP3 5357 63.386 53.799 57.809 1.00 0.00 WT2 H ATOM 31972 OH2 TIP3 5358 69.237 48.754 25.210 1.00 0.00 WT2 O ATOM 31973 H1 TIP3 5358 68.946 48.233 24.461 1.00 0.00 WT2 H ATOM 31974 H2 TIP3 5358 68.442 48.897 25.725 1.00 0.00 WT2 H ATOM 31975 OH2 TIP3 5359 70.819 89.306 5.174 1.00 0.00 WT2 O ATOM 31976 H1 TIP3 5359 70.666 88.884 6.019 1.00 0.00 WT2 H ATOM 31977 H2 TIP3 5359 70.419 88.716 4.535 1.00 0.00 WT2 H ATOM 31978 OH2 TIP3 5360 31.847 17.574 -18.417 1.00 0.00 WT2 O ATOM 31979 H1 TIP3 5360 31.846 18.499 -18.170 1.00 0.00 WT2 H ATOM 31980 H2 TIP3 5360 31.783 17.580 -19.372 1.00 0.00 WT2 H ATOM 31981 OH2 TIP3 5364 32.465 25.567 42.595 1.00 0.00 WT2 O ATOM 31982 H1 TIP3 5364 33.077 26.302 42.568 1.00 0.00 WT2 H ATOM 31983 H2 TIP3 5364 32.920 24.894 43.102 1.00 0.00 WT2 H ATOM 31984 OH2 TIP3 5375 75.185 28.098 50.463 1.00 0.00 WT2 O ATOM 31985 H1 TIP3 5375 74.676 28.741 49.968 1.00 0.00 WT2 H ATOM 31986 H2 TIP3 5375 76.095 28.366 50.340 1.00 0.00 WT2 H ATOM 31987 OH2 TIP3 5377 63.020 83.330 1.663 1.00 0.00 WT2 O ATOM 31988 H1 TIP3 5377 63.033 82.462 2.066 1.00 0.00 WT2 H ATOM 31989 H2 TIP3 5377 63.160 83.935 2.391 1.00 0.00 WT2 H ATOM 31990 OH2 TIP3 5378 29.258 7.578 37.867 1.00 0.00 WT2 O ATOM 31991 H1 TIP3 5378 28.698 7.082 37.270 1.00 0.00 WT2 H ATOM 31992 H2 TIP3 5378 29.852 6.925 38.237 1.00 0.00 WT2 H ATOM 31993 OH2 TIP3 5379 39.083 30.322 43.552 1.00 0.00 WT2 O ATOM 31994 H1 TIP3 5379 38.866 31.025 44.164 1.00 0.00 WT2 H ATOM 31995 H2 TIP3 5379 39.556 30.758 42.844 1.00 0.00 WT2 H ATOM 31996 OH2 TIP3 5380 46.008 45.450 65.307 1.00 0.00 WT2 O ATOM 31997 H1 TIP3 5380 46.579 45.286 66.057 1.00 0.00 WT2 H ATOM 31998 H2 TIP3 5380 46.295 44.822 64.644 1.00 0.00 WT2 H ATOM 31999 OH2 TIP3 5381 44.187 93.574 62.729 1.00 0.00 WT2 O ATOM 32000 H1 TIP3 5381 43.911 93.018 62.000 1.00 0.00 WT2 H ATOM 32001 H2 TIP3 5381 43.979 93.065 63.512 1.00 0.00 WT2 H ATOM 32002 OH2 TIP3 5382 87.844 69.285 53.400 1.00 0.00 WT2 O ATOM 32003 H1 TIP3 5382 87.127 68.672 53.231 1.00 0.00 WT2 H ATOM 32004 H2 TIP3 5382 87.969 69.743 52.569 1.00 0.00 WT2 H ATOM 32005 OH2 TIP3 5383 27.863 16.733 47.629 1.00 0.00 WT2 O ATOM 32006 H1 TIP3 5383 27.039 16.899 48.088 1.00 0.00 WT2 H ATOM 32007 H2 TIP3 5383 27.893 17.398 46.941 1.00 0.00 WT2 H ATOM 32008 OH2 TIP3 5384 63.872 37.850 50.128 1.00 0.00 WT2 O ATOM 32009 H1 TIP3 5384 63.462 37.594 50.954 1.00 0.00 WT2 H ATOM 32010 H2 TIP3 5384 63.803 37.071 49.575 1.00 0.00 WT2 H ATOM 32011 OH2 TIP3 5385 85.261 31.527 29.195 1.00 0.00 WT2 O ATOM 32012 H1 TIP3 5385 84.387 31.228 28.944 1.00 0.00 WT2 H ATOM 32013 H2 TIP3 5385 85.155 32.462 29.367 1.00 0.00 WT2 H ATOM 32014 OH2 TIP3 5393 41.454 10.011 36.142 1.00 0.00 WT2 O ATOM 32015 H1 TIP3 5393 41.264 10.740 36.732 1.00 0.00 WT2 H ATOM 32016 H2 TIP3 5393 40.750 10.037 35.493 1.00 0.00 WT2 H ATOM 32017 OH2 TIP3 5396 74.747 81.101 48.407 1.00 0.00 WT2 O ATOM 32018 H1 TIP3 5396 75.505 80.792 47.911 1.00 0.00 WT2 H ATOM 32019 H2 TIP3 5396 75.119 81.465 49.211 1.00 0.00 WT2 H ATOM 32020 OH2 TIP3 5399 36.014 85.253 64.382 1.00 0.00 WT2 O ATOM 32021 H1 TIP3 5399 35.515 84.756 63.733 1.00 0.00 WT2 H ATOM 32022 H2 TIP3 5399 35.849 86.169 64.161 1.00 0.00 WT2 H ATOM 32023 OH2 TIP3 5400 47.853 9.604 8.398 1.00 0.00 WT2 O ATOM 32024 H1 TIP3 5400 47.699 10.513 8.656 1.00 0.00 WT2 H ATOM 32025 H2 TIP3 5400 46.976 9.233 8.296 1.00 0.00 WT2 H ATOM 32026 OH2 TIP3 5402 82.267 10.863 -18.264 1.00 0.00 WT2 O ATOM 32027 H1 TIP3 5402 81.586 10.212 -18.432 1.00 0.00 WT2 H ATOM 32028 H2 TIP3 5402 83.087 10.406 -18.447 1.00 0.00 WT2 H ATOM 32029 OH2 TIP3 5404 33.320 74.482 64.689 1.00 0.00 WT2 O ATOM 32030 H1 TIP3 5404 33.433 73.624 65.097 1.00 0.00 WT2 H ATOM 32031 H2 TIP3 5404 33.960 74.496 63.977 1.00 0.00 WT2 H ATOM 32032 OH2 TIP3 5418 37.620 10.854 9.637 1.00 0.00 WT2 O ATOM 32033 H1 TIP3 5418 37.695 10.676 10.574 1.00 0.00 WT2 H ATOM 32034 H2 TIP3 5418 37.339 10.022 9.256 1.00 0.00 WT2 H ATOM 32035 OH2 TIP3 5419 41.841 20.872 11.833 1.00 0.00 WT2 O ATOM 32036 H1 TIP3 5419 41.475 20.247 11.208 1.00 0.00 WT2 H ATOM 32037 H2 TIP3 5419 42.719 20.541 12.018 1.00 0.00 WT2 H ATOM 32038 OH2 TIP3 5420 87.488 90.196 -11.548 1.00 0.00 WT2 O ATOM 32039 H1 TIP3 5420 87.404 89.745 -12.388 1.00 0.00 WT2 H ATOM 32040 H2 TIP3 5420 86.587 90.383 -11.284 1.00 0.00 WT2 H ATOM 32041 OH2 TIP3 5421 24.606 21.015 66.607 1.00 0.00 WT2 O ATOM 32042 H1 TIP3 5421 25.209 21.736 66.426 1.00 0.00 WT2 H ATOM 32043 H2 TIP3 5421 25.137 20.369 67.073 1.00 0.00 WT2 H ATOM 32044 OH2 TIP3 5422 78.263 40.168 23.607 1.00 0.00 WT2 O ATOM 32045 H1 TIP3 5422 77.853 39.983 22.763 1.00 0.00 WT2 H ATOM 32046 H2 TIP3 5422 77.543 40.135 24.236 1.00 0.00 WT2 H ATOM 32047 OH2 TIP3 5426 61.086 35.122 5.830 1.00 0.00 WT2 O ATOM 32048 H1 TIP3 5426 61.635 35.661 6.399 1.00 0.00 WT2 H ATOM 32049 H2 TIP3 5426 60.864 35.695 5.097 1.00 0.00 WT2 H ATOM 32050 OH2 TIP3 5430 61.797 20.758 49.568 1.00 0.00 WT2 O ATOM 32051 H1 TIP3 5430 62.177 21.065 48.745 1.00 0.00 WT2 H ATOM 32052 H2 TIP3 5430 60.878 20.589 49.360 1.00 0.00 WT2 H ATOM 32053 OH2 TIP3 5434 32.291 59.866 6.467 1.00 0.00 WT2 O ATOM 32054 H1 TIP3 5434 32.518 59.727 7.387 1.00 0.00 WT2 H ATOM 32055 H2 TIP3 5434 31.346 59.719 6.429 1.00 0.00 WT2 H ATOM 32056 OH2 TIP3 5440 56.081 77.637 47.220 1.00 0.00 WT2 O ATOM 32057 H1 TIP3 5440 56.825 77.050 47.084 1.00 0.00 WT2 H ATOM 32058 H2 TIP3 5440 55.325 77.144 46.900 1.00 0.00 WT2 H ATOM 32059 OH2 TIP3 5442 60.399 11.878 -13.665 1.00 0.00 WT2 O ATOM 32060 H1 TIP3 5442 61.102 11.424 -14.130 1.00 0.00 WT2 H ATOM 32061 H2 TIP3 5442 60.421 11.513 -12.781 1.00 0.00 WT2 H ATOM 32062 OH2 TIP3 5443 75.949 76.934 -7.543 1.00 0.00 WT2 O ATOM 32063 H1 TIP3 5443 75.476 76.102 -7.530 1.00 0.00 WT2 H ATOM 32064 H2 TIP3 5443 75.460 77.478 -8.159 1.00 0.00 WT2 H ATOM 32065 OH2 TIP3 5444 32.993 53.772 21.792 1.00 0.00 WT2 O ATOM 32066 H1 TIP3 5444 33.576 53.440 22.475 1.00 0.00 WT2 H ATOM 32067 H2 TIP3 5444 33.572 53.963 21.055 1.00 0.00 WT2 H ATOM 32068 OH2 TIP3 5445 50.812 93.469 -9.494 1.00 0.00 WT2 O ATOM 32069 H1 TIP3 5445 51.335 94.191 -9.842 1.00 0.00 WT2 H ATOM 32070 H2 TIP3 5445 49.957 93.568 -9.914 1.00 0.00 WT2 H ATOM 32071 OH2 TIP3 5446 81.690 62.403 17.603 1.00 0.00 WT2 O ATOM 32072 H1 TIP3 5446 82.462 62.006 18.005 1.00 0.00 WT2 H ATOM 32073 H2 TIP3 5446 80.982 61.784 17.780 1.00 0.00 WT2 H ATOM 32074 OH2 TIP3 5460 70.788 37.079 39.629 1.00 0.00 WT2 O ATOM 32075 H1 TIP3 5460 71.208 36.235 39.463 1.00 0.00 WT2 H ATOM 32076 H2 TIP3 5460 71.234 37.688 39.040 1.00 0.00 WT2 H ATOM 32077 OH2 TIP3 5461 56.564 6.655 51.014 1.00 0.00 WT2 O ATOM 32078 H1 TIP3 5461 57.267 7.062 50.508 1.00 0.00 WT2 H ATOM 32079 H2 TIP3 5461 57.015 6.188 51.717 1.00 0.00 WT2 H ATOM 32080 OH2 TIP3 5462 65.063 10.869 47.025 1.00 0.00 WT2 O ATOM 32081 H1 TIP3 5462 65.359 10.525 46.182 1.00 0.00 WT2 H ATOM 32082 H2 TIP3 5462 64.190 11.218 46.848 1.00 0.00 WT2 H ATOM 32083 OH2 TIP3 5463 82.428 60.644 43.911 1.00 0.00 WT2 O ATOM 32084 H1 TIP3 5463 81.866 59.912 43.655 1.00 0.00 WT2 H ATOM 32085 H2 TIP3 5463 82.896 60.327 44.684 1.00 0.00 WT2 H ATOM 32086 OH2 TIP3 5464 68.654 39.300 37.971 1.00 0.00 WT2 O ATOM 32087 H1 TIP3 5464 68.610 39.017 37.057 1.00 0.00 WT2 H ATOM 32088 H2 TIP3 5464 69.105 40.144 37.939 1.00 0.00 WT2 H ATOM 32089 OH2 TIP3 5466 21.462 74.706 2.922 1.00 0.00 WT2 O ATOM 32090 H1 TIP3 5466 22.204 74.949 3.475 1.00 0.00 WT2 H ATOM 32091 H2 TIP3 5466 21.458 73.749 2.933 1.00 0.00 WT2 H ATOM 32092 OH2 TIP3 5481 22.530 90.797 62.702 1.00 0.00 WT2 O ATOM 32093 H1 TIP3 5481 23.045 91.585 62.529 1.00 0.00 WT2 H ATOM 32094 H2 TIP3 5481 23.170 90.085 62.694 1.00 0.00 WT2 H ATOM 32095 OH2 TIP3 5482 79.126 43.223 15.595 1.00 0.00 WT2 O ATOM 32096 H1 TIP3 5482 79.424 43.560 14.750 1.00 0.00 WT2 H ATOM 32097 H2 TIP3 5482 79.308 43.930 16.214 1.00 0.00 WT2 H ATOM 32098 OH2 TIP3 5483 79.270 38.488 37.944 1.00 0.00 WT2 O ATOM 32099 H1 TIP3 5483 80.037 38.501 37.372 1.00 0.00 WT2 H ATOM 32100 H2 TIP3 5483 79.413 37.736 38.519 1.00 0.00 WT2 H ATOM 32101 OH2 TIP3 5484 81.633 29.212 -11.558 1.00 0.00 WT2 O ATOM 32102 H1 TIP3 5484 81.161 29.413 -12.366 1.00 0.00 WT2 H ATOM 32103 H2 TIP3 5484 80.946 29.017 -10.921 1.00 0.00 WT2 H ATOM 32104 OH2 TIP3 5486 58.621 32.401 41.700 1.00 0.00 WT2 O ATOM 32105 H1 TIP3 5486 57.817 32.896 41.853 1.00 0.00 WT2 H ATOM 32106 H2 TIP3 5486 58.651 31.766 42.416 1.00 0.00 WT2 H ATOM 32107 OH2 TIP3 5487 71.357 18.534 -7.198 1.00 0.00 WT2 O ATOM 32108 H1 TIP3 5487 71.550 18.392 -6.271 1.00 0.00 WT2 H ATOM 32109 H2 TIP3 5487 72.191 18.811 -7.577 1.00 0.00 WT2 H ATOM 32110 OH2 TIP3 5488 75.044 27.364 2.701 1.00 0.00 WT2 O ATOM 32111 H1 TIP3 5488 75.287 27.672 3.574 1.00 0.00 WT2 H ATOM 32112 H2 TIP3 5488 75.248 28.098 2.122 1.00 0.00 WT2 H ATOM 32113 OH2 TIP3 5504 47.808 3.982 51.873 1.00 0.00 WT2 O ATOM 32114 H1 TIP3 5504 48.502 3.767 51.251 1.00 0.00 WT2 H ATOM 32115 H2 TIP3 5504 48.037 3.498 52.666 1.00 0.00 WT2 H ATOM 32116 OH2 TIP3 5505 83.758 73.666 -17.664 1.00 0.00 WT2 O ATOM 32117 H1 TIP3 5505 83.770 74.542 -18.049 1.00 0.00 WT2 H ATOM 32118 H2 TIP3 5505 84.591 73.597 -17.198 1.00 0.00 WT2 H ATOM 32119 OH2 TIP3 5506 66.821 65.220 28.677 1.00 0.00 WT2 O ATOM 32120 H1 TIP3 5506 66.068 64.640 28.566 1.00 0.00 WT2 H ATOM 32121 H2 TIP3 5506 67.037 65.506 27.789 1.00 0.00 WT2 H ATOM 32122 OH2 TIP3 5507 57.684 10.596 56.583 1.00 0.00 WT2 O ATOM 32123 H1 TIP3 5507 56.894 10.342 57.059 1.00 0.00 WT2 H ATOM 32124 H2 TIP3 5507 58.066 9.768 56.293 1.00 0.00 WT2 H ATOM 32125 OH2 TIP3 5510 28.100 43.605 29.828 1.00 0.00 WT2 O ATOM 32126 H1 TIP3 5510 27.634 43.798 29.014 1.00 0.00 WT2 H ATOM 32127 H2 TIP3 5510 28.876 43.119 29.551 1.00 0.00 WT2 H ATOM 32128 OH2 TIP3 5522 34.700 67.641 -4.134 1.00 0.00 WT2 O ATOM 32129 H1 TIP3 5522 34.615 68.471 -4.604 1.00 0.00 WT2 H ATOM 32130 H2 TIP3 5522 34.695 67.888 -3.209 1.00 0.00 WT2 H ATOM 32131 OH2 TIP3 5526 73.118 20.469 -10.250 1.00 0.00 WT2 O ATOM 32132 H1 TIP3 5526 72.245 20.124 -10.438 1.00 0.00 WT2 H ATOM 32133 H2 TIP3 5526 73.038 20.865 -9.382 1.00 0.00 WT2 H ATOM 32134 OH2 TIP3 5527 50.243 77.790 58.903 1.00 0.00 WT2 O ATOM 32135 H1 TIP3 5527 51.198 77.850 58.925 1.00 0.00 WT2 H ATOM 32136 H2 TIP3 5527 50.024 77.785 57.971 1.00 0.00 WT2 H ATOM 32137 OH2 TIP3 5528 32.445 44.684 6.633 1.00 0.00 WT2 O ATOM 32138 H1 TIP3 5528 32.024 45.115 7.378 1.00 0.00 WT2 H ATOM 32139 H2 TIP3 5528 33.363 44.601 6.891 1.00 0.00 WT2 H ATOM 32140 OH2 TIP3 5530 61.188 80.318 6.293 1.00 0.00 WT2 O ATOM 32141 H1 TIP3 5530 61.747 80.437 7.060 1.00 0.00 WT2 H ATOM 32142 H2 TIP3 5530 60.865 79.420 6.367 1.00 0.00 WT2 H ATOM 32143 OH2 TIP3 5545 70.565 13.199 35.394 1.00 0.00 WT2 O ATOM 32144 H1 TIP3 5545 70.955 14.058 35.235 1.00 0.00 WT2 H ATOM 32145 H2 TIP3 5545 69.922 13.351 36.086 1.00 0.00 WT2 H ATOM 32146 OH2 TIP3 5547 63.837 7.133 -2.357 1.00 0.00 WT2 O ATOM 32147 H1 TIP3 5547 64.711 7.494 -2.507 1.00 0.00 WT2 H ATOM 32148 H2 TIP3 5547 63.541 7.547 -1.547 1.00 0.00 WT2 H ATOM 32149 OH2 TIP3 5548 60.809 2.358 56.069 1.00 0.00 WT2 O ATOM 32150 H1 TIP3 5548 60.588 1.903 56.882 1.00 0.00 WT2 H ATOM 32151 H2 TIP3 5548 60.244 1.959 55.409 1.00 0.00 WT2 H ATOM 32152 OH2 TIP3 5549 24.538 84.349 6.782 1.00 0.00 WT2 O ATOM 32153 H1 TIP3 5549 24.983 85.068 7.230 1.00 0.00 WT2 H ATOM 32154 H2 TIP3 5549 24.844 83.561 7.230 1.00 0.00 WT2 H ATOM 32155 OH2 TIP3 5550 86.484 36.414 62.097 1.00 0.00 WT2 O ATOM 32156 H1 TIP3 5550 87.306 36.903 62.137 1.00 0.00 WT2 H ATOM 32157 H2 TIP3 5550 85.965 36.871 61.435 1.00 0.00 WT2 H ATOM 32158 OH2 TIP3 5551 83.407 37.865 57.750 1.00 0.00 WT2 O ATOM 32159 H1 TIP3 5551 84.250 38.222 58.027 1.00 0.00 WT2 H ATOM 32160 H2 TIP3 5551 82.786 38.581 57.884 1.00 0.00 WT2 H ATOM 32161 OH2 TIP3 5552 38.378 10.448 46.976 1.00 0.00 WT2 O ATOM 32162 H1 TIP3 5552 38.106 9.626 47.383 1.00 0.00 WT2 H ATOM 32163 H2 TIP3 5552 39.185 10.686 47.433 1.00 0.00 WT2 H ATOM 32164 OH2 TIP3 5553 29.366 24.371 31.192 1.00 0.00 WT2 O ATOM 32165 H1 TIP3 5553 30.061 24.026 31.753 1.00 0.00 WT2 H ATOM 32166 H2 TIP3 5553 29.611 25.283 31.040 1.00 0.00 WT2 H ATOM 32167 OH2 TIP3 5564 28.251 19.414 65.207 1.00 0.00 WT2 O ATOM 32168 H1 TIP3 5564 28.100 18.573 64.776 1.00 0.00 WT2 H ATOM 32169 H2 TIP3 5564 28.060 20.067 64.534 1.00 0.00 WT2 H ATOM 32170 OH2 TIP3 5566 66.482 70.431 33.473 1.00 0.00 WT2 O ATOM 32171 H1 TIP3 5566 67.353 70.061 33.329 1.00 0.00 WT2 H ATOM 32172 H2 TIP3 5566 65.922 69.672 33.635 1.00 0.00 WT2 H ATOM 32173 OH2 TIP3 5567 55.765 52.761 -18.676 1.00 0.00 WT2 O ATOM 32174 H1 TIP3 5567 55.064 52.315 -18.200 1.00 0.00 WT2 H ATOM 32175 H2 TIP3 5567 56.544 52.230 -18.508 1.00 0.00 WT2 H ATOM 32176 OH2 TIP3 5568 72.612 76.040 21.289 1.00 0.00 WT2 O ATOM 32177 H1 TIP3 5568 73.388 75.481 21.260 1.00 0.00 WT2 H ATOM 32178 H2 TIP3 5568 71.888 75.456 21.063 1.00 0.00 WT2 H ATOM 32179 OH2 TIP3 5569 72.627 31.516 42.117 1.00 0.00 WT2 O ATOM 32180 H1 TIP3 5569 71.756 31.439 42.508 1.00 0.00 WT2 H ATOM 32181 H2 TIP3 5569 72.459 31.695 41.192 1.00 0.00 WT2 H ATOM 32182 OH2 TIP3 5571 48.992 90.210 -10.584 1.00 0.00 WT2 O ATOM 32183 H1 TIP3 5571 49.004 90.782 -11.350 1.00 0.00 WT2 H ATOM 32184 H2 TIP3 5571 48.079 89.935 -10.503 1.00 0.00 WT2 H ATOM 32185 OH2 TIP3 5572 83.760 92.632 58.484 1.00 0.00 WT2 O ATOM 32186 H1 TIP3 5572 84.501 92.134 58.138 1.00 0.00 WT2 H ATOM 32187 H2 TIP3 5572 83.257 92.883 57.709 1.00 0.00 WT2 H ATOM 32188 OH2 TIP3 5585 83.313 22.096 57.041 1.00 0.00 WT2 O ATOM 32189 H1 TIP3 5585 82.541 21.839 57.545 1.00 0.00 WT2 H ATOM 32190 H2 TIP3 5585 83.222 23.042 56.928 1.00 0.00 WT2 H ATOM 32191 OH2 TIP3 5590 85.280 37.422 30.585 1.00 0.00 WT2 O ATOM 32192 H1 TIP3 5590 85.887 37.194 29.881 1.00 0.00 WT2 H ATOM 32193 H2 TIP3 5590 84.679 38.053 30.189 1.00 0.00 WT2 H ATOM 32194 OH2 TIP3 5591 57.823 3.472 48.951 1.00 0.00 WT2 O ATOM 32195 H1 TIP3 5591 57.227 2.983 49.518 1.00 0.00 WT2 H ATOM 32196 H2 TIP3 5591 57.507 3.299 48.064 1.00 0.00 WT2 H ATOM 32197 OH2 TIP3 5592 31.419 59.111 30.661 1.00 0.00 WT2 O ATOM 32198 H1 TIP3 5592 32.094 58.732 30.098 1.00 0.00 WT2 H ATOM 32199 H2 TIP3 5592 31.720 60.004 30.828 1.00 0.00 WT2 H ATOM 32200 OH2 TIP3 5595 79.243 81.100 -1.476 1.00 0.00 WT2 O ATOM 32201 H1 TIP3 5595 79.392 80.915 -0.549 1.00 0.00 WT2 H ATOM 32202 H2 TIP3 5595 79.117 82.048 -1.515 1.00 0.00 WT2 H ATOM 32203 OH2 TIP3 5596 89.013 61.270 -2.655 1.00 0.00 WT2 O ATOM 32204 H1 TIP3 5596 89.152 60.359 -2.396 1.00 0.00 WT2 H ATOM 32205 H2 TIP3 5596 89.336 61.782 -1.914 1.00 0.00 WT2 H ATOM 32206 OH2 TIP3 5606 35.841 51.373 60.447 1.00 0.00 WT2 O ATOM 32207 H1 TIP3 5606 35.684 52.286 60.688 1.00 0.00 WT2 H ATOM 32208 H2 TIP3 5606 35.740 51.355 59.495 1.00 0.00 WT2 H ATOM 32209 OH2 TIP3 5607 52.089 27.030 13.718 1.00 0.00 WT2 O ATOM 32210 H1 TIP3 5607 52.013 27.906 13.341 1.00 0.00 WT2 H ATOM 32211 H2 TIP3 5607 51.647 26.459 13.090 1.00 0.00 WT2 H ATOM 32212 OH2 TIP3 5609 22.152 67.146 -5.657 1.00 0.00 WT2 O ATOM 32213 H1 TIP3 5609 22.273 66.853 -6.561 1.00 0.00 WT2 H ATOM 32214 H2 TIP3 5609 21.211 67.067 -5.503 1.00 0.00 WT2 H ATOM 32215 OH2 TIP3 5610 57.118 59.926 55.256 1.00 0.00 WT2 O ATOM 32216 H1 TIP3 5610 57.164 60.340 56.118 1.00 0.00 WT2 H ATOM 32217 H2 TIP3 5610 58.010 59.984 54.914 1.00 0.00 WT2 H ATOM 32218 OH2 TIP3 5611 27.246 29.198 -12.672 1.00 0.00 WT2 O ATOM 32219 H1 TIP3 5611 27.135 30.068 -12.288 1.00 0.00 WT2 H ATOM 32220 H2 TIP3 5611 28.187 29.128 -12.838 1.00 0.00 WT2 H ATOM 32221 OH2 TIP3 5612 82.563 52.110 66.699 1.00 0.00 WT2 O ATOM 32222 H1 TIP3 5612 81.845 51.582 66.351 1.00 0.00 WT2 H ATOM 32223 H2 TIP3 5612 82.227 53.007 66.693 1.00 0.00 WT2 H ATOM 32224 OH2 TIP3 5614 41.154 39.454 -12.628 1.00 0.00 WT2 O ATOM 32225 H1 TIP3 5614 40.363 39.640 -12.123 1.00 0.00 WT2 H ATOM 32226 H2 TIP3 5614 41.204 40.164 -13.268 1.00 0.00 WT2 H ATOM 32227 OH2 TIP3 5615 47.642 11.354 67.421 1.00 0.00 WT2 O ATOM 32228 H1 TIP3 5615 47.171 11.857 66.756 1.00 0.00 WT2 H ATOM 32229 H2 TIP3 5615 47.321 10.458 67.316 1.00 0.00 WT2 H ATOM 32230 OH2 TIP3 5616 25.159 42.461 46.342 1.00 0.00 WT2 O ATOM 32231 H1 TIP3 5616 25.634 43.285 46.447 1.00 0.00 WT2 H ATOM 32232 H2 TIP3 5616 25.191 42.283 45.402 1.00 0.00 WT2 H ATOM 32233 OH2 TIP3 5618 75.875 20.249 66.027 1.00 0.00 WT2 O ATOM 32234 H1 TIP3 5618 76.788 20.230 66.313 1.00 0.00 WT2 H ATOM 32235 H2 TIP3 5618 75.888 19.857 65.154 1.00 0.00 WT2 H ATOM 32236 OH2 TIP3 5626 87.811 71.350 37.755 1.00 0.00 WT2 O ATOM 32237 H1 TIP3 5626 88.749 71.166 37.801 1.00 0.00 WT2 H ATOM 32238 H2 TIP3 5626 87.426 70.549 37.398 1.00 0.00 WT2 H ATOM 32239 OH2 TIP3 5630 59.282 52.552 -9.580 1.00 0.00 WT2 O ATOM 32240 H1 TIP3 5630 58.565 52.102 -9.133 1.00 0.00 WT2 H ATOM 32241 H2 TIP3 5630 59.966 52.634 -8.916 1.00 0.00 WT2 H ATOM 32242 OH2 TIP3 5631 70.375 87.195 32.707 1.00 0.00 WT2 O ATOM 32243 H1 TIP3 5631 69.932 86.835 31.938 1.00 0.00 WT2 H ATOM 32244 H2 TIP3 5631 70.064 86.660 33.436 1.00 0.00 WT2 H ATOM 32245 OH2 TIP3 5633 45.348 76.464 -11.549 1.00 0.00 WT2 O ATOM 32246 H1 TIP3 5633 45.377 75.558 -11.240 1.00 0.00 WT2 H ATOM 32247 H2 TIP3 5633 44.903 76.415 -12.395 1.00 0.00 WT2 H ATOM 32248 OH2 TIP3 5635 66.311 7.995 -2.771 1.00 0.00 WT2 O ATOM 32249 H1 TIP3 5635 66.599 8.521 -2.026 1.00 0.00 WT2 H ATOM 32250 H2 TIP3 5635 66.932 8.205 -3.468 1.00 0.00 WT2 H ATOM 32251 OH2 TIP3 5647 87.049 77.568 32.561 1.00 0.00 WT2 O ATOM 32252 H1 TIP3 5647 87.489 78.394 32.760 1.00 0.00 WT2 H ATOM 32253 H2 TIP3 5647 86.976 77.125 33.407 1.00 0.00 WT2 H ATOM 32254 OH2 TIP3 5650 58.044 33.204 64.446 1.00 0.00 WT2 O ATOM 32255 H1 TIP3 5650 58.142 34.100 64.122 1.00 0.00 WT2 H ATOM 32256 H2 TIP3 5650 57.120 32.998 64.305 1.00 0.00 WT2 H ATOM 32257 OH2 TIP3 5651 34.762 54.554 51.777 1.00 0.00 WT2 O ATOM 32258 H1 TIP3 5651 34.869 55.082 50.986 1.00 0.00 WT2 H ATOM 32259 H2 TIP3 5651 33.858 54.240 51.735 1.00 0.00 WT2 H ATOM 32260 OH2 TIP3 5653 45.483 94.860 24.340 1.00 0.00 WT2 O ATOM 32261 H1 TIP3 5653 45.466 94.471 23.466 1.00 0.00 WT2 H ATOM 32262 H2 TIP3 5653 46.139 94.351 24.817 1.00 0.00 WT2 H ATOM 32263 OH2 TIP3 5654 40.934 2.301 52.552 1.00 0.00 WT2 O ATOM 32264 H1 TIP3 5654 41.699 1.773 52.782 1.00 0.00 WT2 H ATOM 32265 H2 TIP3 5654 40.418 2.339 53.357 1.00 0.00 WT2 H ATOM 32266 OH2 TIP3 5655 63.663 46.561 44.740 1.00 0.00 WT2 O ATOM 32267 H1 TIP3 5655 63.861 47.283 44.145 1.00 0.00 WT2 H ATOM 32268 H2 TIP3 5655 63.109 45.972 44.228 1.00 0.00 WT2 H ATOM 32269 OH2 TIP3 5656 67.537 30.359 51.482 1.00 0.00 WT2 O ATOM 32270 H1 TIP3 5656 67.405 30.658 50.583 1.00 0.00 WT2 H ATOM 32271 H2 TIP3 5656 68.229 30.926 51.824 1.00 0.00 WT2 H ATOM 32272 OH2 TIP3 5669 53.675 71.906 -3.496 1.00 0.00 WT2 O ATOM 32273 H1 TIP3 5669 54.240 71.953 -2.725 1.00 0.00 WT2 H ATOM 32274 H2 TIP3 5669 54.116 71.288 -4.079 1.00 0.00 WT2 H ATOM 32275 OH2 TIP3 5673 88.800 94.986 28.527 1.00 0.00 WT2 O ATOM 32276 H1 TIP3 5673 88.627 94.143 28.109 1.00 0.00 WT2 H ATOM 32277 H2 TIP3 5673 89.739 94.972 28.715 1.00 0.00 WT2 H ATOM 32278 OH2 TIP3 5674 23.644 32.337 -7.630 1.00 0.00 WT2 O ATOM 32279 H1 TIP3 5674 23.338 33.156 -7.240 1.00 0.00 WT2 H ATOM 32280 H2 TIP3 5674 22.919 32.049 -8.184 1.00 0.00 WT2 H ATOM 32281 OH2 TIP3 5675 86.411 46.334 17.181 1.00 0.00 WT2 O ATOM 32282 H1 TIP3 5675 85.533 46.251 16.807 1.00 0.00 WT2 H ATOM 32283 H2 TIP3 5675 86.939 45.699 16.697 1.00 0.00 WT2 H ATOM 32284 OH2 TIP3 5676 62.253 13.673 23.297 1.00 0.00 WT2 O ATOM 32285 H1 TIP3 5676 61.883 13.006 23.876 1.00 0.00 WT2 H ATOM 32286 H2 TIP3 5676 63.140 13.813 23.628 1.00 0.00 WT2 H ATOM 32287 OH2 TIP3 5678 77.215 25.650 -16.051 1.00 0.00 WT2 O ATOM 32288 H1 TIP3 5678 76.382 25.568 -16.516 1.00 0.00 WT2 H ATOM 32289 H2 TIP3 5678 76.968 25.846 -15.148 1.00 0.00 WT2 H ATOM 32290 OH2 TIP3 5679 61.125 27.435 -14.212 1.00 0.00 WT2 O ATOM 32291 H1 TIP3 5679 61.019 27.844 -13.352 1.00 0.00 WT2 H ATOM 32292 H2 TIP3 5679 61.475 28.132 -14.767 1.00 0.00 WT2 H ATOM 32293 OH2 TIP3 5687 39.195 4.577 23.635 1.00 0.00 WT2 O ATOM 32294 H1 TIP3 5687 39.461 5.030 22.835 1.00 0.00 WT2 H ATOM 32295 H2 TIP3 5687 38.389 5.018 23.904 1.00 0.00 WT2 H ATOM 32296 OH2 TIP3 5690 64.820 93.055 0.608 1.00 0.00 WT2 O ATOM 32297 H1 TIP3 5690 64.452 93.751 0.063 1.00 0.00 WT2 H ATOM 32298 H2 TIP3 5690 64.061 92.661 1.037 1.00 0.00 WT2 H ATOM 32299 OH2 TIP3 5692 51.818 17.287 -17.762 1.00 0.00 WT2 O ATOM 32300 H1 TIP3 5692 52.731 17.373 -17.486 1.00 0.00 WT2 H ATOM 32301 H2 TIP3 5692 51.519 16.475 -17.353 1.00 0.00 WT2 H ATOM 32302 OH2 TIP3 5693 47.668 50.583 4.304 1.00 0.00 WT2 O ATOM 32303 H1 TIP3 5693 47.517 50.666 5.246 1.00 0.00 WT2 H ATOM 32304 H2 TIP3 5693 48.471 51.078 4.145 1.00 0.00 WT2 H ATOM 32305 OH2 TIP3 5694 47.044 57.513 59.607 1.00 0.00 WT2 O ATOM 32306 H1 TIP3 5694 47.552 58.251 59.271 1.00 0.00 WT2 H ATOM 32307 H2 TIP3 5694 47.087 56.856 58.913 1.00 0.00 WT2 H ATOM 32308 OH2 TIP3 5695 54.059 29.907 47.600 1.00 0.00 WT2 O ATOM 32309 H1 TIP3 5695 54.240 28.980 47.754 1.00 0.00 WT2 H ATOM 32310 H2 TIP3 5695 54.099 30.004 46.649 1.00 0.00 WT2 H ATOM 32311 OH2 TIP3 5697 61.308 29.502 18.592 1.00 0.00 WT2 O ATOM 32312 H1 TIP3 5697 60.514 29.878 18.972 1.00 0.00 WT2 H ATOM 32313 H2 TIP3 5697 61.826 30.260 18.321 1.00 0.00 WT2 H ATOM 32314 OH2 TIP3 5702 72.400 55.847 58.916 1.00 0.00 WT2 O ATOM 32315 H1 TIP3 5702 71.729 56.004 59.579 1.00 0.00 WT2 H ATOM 32316 H2 TIP3 5702 72.961 56.622 58.954 1.00 0.00 WT2 H ATOM 32317 OH2 TIP3 5710 43.478 57.631 51.582 1.00 0.00 WT2 O ATOM 32318 H1 TIP3 5710 43.476 58.227 50.833 1.00 0.00 WT2 H ATOM 32319 H2 TIP3 5710 43.409 56.758 51.194 1.00 0.00 WT2 H ATOM 32320 OH2 TIP3 5711 53.566 22.484 44.307 1.00 0.00 WT2 O ATOM 32321 H1 TIP3 5711 53.335 21.874 45.008 1.00 0.00 WT2 H ATOM 32322 H2 TIP3 5711 54.438 22.801 44.543 1.00 0.00 WT2 H ATOM 32323 OH2 TIP3 5713 60.228 68.821 43.304 1.00 0.00 WT2 O ATOM 32324 H1 TIP3 5713 60.112 69.374 44.077 1.00 0.00 WT2 H ATOM 32325 H2 TIP3 5713 59.341 68.542 43.074 1.00 0.00 WT2 H ATOM 32326 OH2 TIP3 5714 50.908 96.585 37.224 1.00 0.00 WT2 O ATOM 32327 H1 TIP3 5714 51.267 96.378 36.362 1.00 0.00 WT2 H ATOM 32328 H2 TIP3 5714 51.036 95.786 37.736 1.00 0.00 WT2 H ATOM 32329 OH2 TIP3 5716 51.374 27.277 32.041 1.00 0.00 WT2 O ATOM 32330 H1 TIP3 5716 51.639 27.582 31.173 1.00 0.00 WT2 H ATOM 32331 H2 TIP3 5716 50.942 28.032 32.440 1.00 0.00 WT2 H ATOM 32332 OH2 TIP3 5717 67.566 31.196 38.878 1.00 0.00 WT2 O ATOM 32333 H1 TIP3 5717 67.540 32.047 39.317 1.00 0.00 WT2 H ATOM 32334 H2 TIP3 5717 68.408 31.186 38.424 1.00 0.00 WT2 H ATOM 32335 OH2 TIP3 5720 68.146 42.424 -0.389 1.00 0.00 WT2 O ATOM 32336 H1 TIP3 5720 67.990 43.287 -0.774 1.00 0.00 WT2 H ATOM 32337 H2 TIP3 5720 69.087 42.281 -0.496 1.00 0.00 WT2 H ATOM 32338 OH2 TIP3 5730 60.149 44.556 59.046 1.00 0.00 WT2 O ATOM 32339 H1 TIP3 5730 59.941 45.275 59.643 1.00 0.00 WT2 H ATOM 32340 H2 TIP3 5730 60.288 43.802 59.618 1.00 0.00 WT2 H ATOM 32341 OH2 TIP3 5734 30.913 10.972 -16.532 1.00 0.00 WT2 O ATOM 32342 H1 TIP3 5734 30.413 11.161 -15.738 1.00 0.00 WT2 H ATOM 32343 H2 TIP3 5734 30.318 11.195 -17.249 1.00 0.00 WT2 H ATOM 32344 OH2 TIP3 5735 40.369 71.522 -19.817 1.00 0.00 WT2 O ATOM 32345 H1 TIP3 5735 39.910 72.098 -19.206 1.00 0.00 WT2 H ATOM 32346 H2 TIP3 5735 41.118 71.193 -19.320 1.00 0.00 WT2 H ATOM 32347 OH2 TIP3 5736 58.850 87.684 35.422 1.00 0.00 WT2 O ATOM 32348 H1 TIP3 5736 58.615 88.329 36.090 1.00 0.00 WT2 H ATOM 32349 H2 TIP3 5736 58.620 88.102 34.593 1.00 0.00 WT2 H ATOM 32350 OH2 TIP3 5738 84.357 82.121 33.777 1.00 0.00 WT2 O ATOM 32351 H1 TIP3 5738 84.629 81.594 33.025 1.00 0.00 WT2 H ATOM 32352 H2 TIP3 5738 83.448 81.865 33.934 1.00 0.00 WT2 H ATOM 32353 OH2 TIP3 5740 52.879 93.528 6.866 1.00 0.00 WT2 O ATOM 32354 H1 TIP3 5740 52.878 93.440 7.820 1.00 0.00 WT2 H ATOM 32355 H2 TIP3 5740 52.785 92.632 6.543 1.00 0.00 WT2 H ATOM 32356 OH2 TIP3 5743 67.863 40.702 -18.221 1.00 0.00 WT2 O ATOM 32357 H1 TIP3 5743 68.259 40.196 -18.931 1.00 0.00 WT2 H ATOM 32358 H2 TIP3 5743 68.057 40.199 -17.431 1.00 0.00 WT2 H ATOM 32359 OH2 TIP3 5755 85.753 94.629 41.572 1.00 0.00 WT2 O ATOM 32360 H1 TIP3 5755 85.337 93.787 41.757 1.00 0.00 WT2 H ATOM 32361 H2 TIP3 5755 85.331 94.934 40.769 1.00 0.00 WT2 H ATOM 32362 OH2 TIP3 5756 79.326 19.218 -7.453 1.00 0.00 WT2 O ATOM 32363 H1 TIP3 5756 80.029 19.481 -6.859 1.00 0.00 WT2 H ATOM 32364 H2 TIP3 5756 79.493 18.291 -7.626 1.00 0.00 WT2 H ATOM 32365 OH2 TIP3 5758 64.800 24.087 -7.828 1.00 0.00 WT2 O ATOM 32366 H1 TIP3 5758 64.477 23.269 -8.205 1.00 0.00 WT2 H ATOM 32367 H2 TIP3 5758 65.284 23.817 -7.047 1.00 0.00 WT2 H ATOM 32368 OH2 TIP3 5759 77.721 86.617 -19.012 1.00 0.00 WT2 O ATOM 32369 H1 TIP3 5759 77.862 87.544 -18.817 1.00 0.00 WT2 H ATOM 32370 H2 TIP3 5759 76.833 86.439 -18.702 1.00 0.00 WT2 H ATOM 32371 OH2 TIP3 5761 30.743 64.083 60.566 1.00 0.00 WT2 O ATOM 32372 H1 TIP3 5761 29.962 63.733 60.994 1.00 0.00 WT2 H ATOM 32373 H2 TIP3 5761 31.330 63.331 60.486 1.00 0.00 WT2 H ATOM 32374 OH2 TIP3 5762 44.245 9.885 -16.737 1.00 0.00 WT2 O ATOM 32375 H1 TIP3 5762 45.026 10.438 -16.702 1.00 0.00 WT2 H ATOM 32376 H2 TIP3 5762 43.964 9.809 -15.825 1.00 0.00 WT2 H ATOM 32377 OH2 TIP3 5764 88.006 84.984 -5.257 1.00 0.00 WT2 O ATOM 32378 H1 TIP3 5764 88.584 84.949 -6.019 1.00 0.00 WT2 H ATOM 32379 H2 TIP3 5764 88.449 85.574 -4.647 1.00 0.00 WT2 H ATOM 32380 OH2 TIP3 5767 37.350 28.829 46.453 1.00 0.00 WT2 O ATOM 32381 H1 TIP3 5767 37.939 28.448 45.801 1.00 0.00 WT2 H ATOM 32382 H2 TIP3 5767 36.646 29.224 45.939 1.00 0.00 WT2 H ATOM 32383 OH2 TIP3 5768 73.058 87.987 -18.802 1.00 0.00 WT2 O ATOM 32384 H1 TIP3 5768 72.202 87.560 -18.762 1.00 0.00 WT2 H ATOM 32385 H2 TIP3 5768 73.208 88.139 -19.735 1.00 0.00 WT2 H ATOM 32386 OH2 TIP3 5775 64.777 47.768 47.133 1.00 0.00 WT2 O ATOM 32387 H1 TIP3 5775 64.589 47.327 46.304 1.00 0.00 WT2 H ATOM 32388 H2 TIP3 5775 65.680 47.524 47.335 1.00 0.00 WT2 H ATOM 32389 OH2 TIP3 5777 73.310 89.861 -0.881 1.00 0.00 WT2 O ATOM 32390 H1 TIP3 5777 72.834 90.209 -0.126 1.00 0.00 WT2 H ATOM 32391 H2 TIP3 5777 73.428 90.615 -1.458 1.00 0.00 WT2 H ATOM 32392 OH2 TIP3 5778 76.404 2.656 53.822 1.00 0.00 WT2 O ATOM 32393 H1 TIP3 5778 77.222 2.174 53.949 1.00 0.00 WT2 H ATOM 32394 H2 TIP3 5778 76.317 2.735 52.872 1.00 0.00 WT2 H ATOM 32395 OH2 TIP3 5779 72.152 31.904 52.510 1.00 0.00 WT2 O ATOM 32396 H1 TIP3 5779 72.370 32.766 52.866 1.00 0.00 WT2 H ATOM 32397 H2 TIP3 5779 72.848 31.721 51.879 1.00 0.00 WT2 H ATOM 32398 OH2 TIP3 5780 81.664 77.037 63.047 1.00 0.00 WT2 O ATOM 32399 H1 TIP3 5780 82.356 77.447 63.567 1.00 0.00 WT2 H ATOM 32400 H2 TIP3 5780 82.129 76.572 62.352 1.00 0.00 WT2 H ATOM 32401 OH2 TIP3 5795 33.645 88.424 58.768 1.00 0.00 WT2 O ATOM 32402 H1 TIP3 5795 34.358 88.014 58.279 1.00 0.00 WT2 H ATOM 32403 H2 TIP3 5795 33.385 87.764 59.411 1.00 0.00 WT2 H ATOM 32404 OH2 TIP3 5797 58.698 2.183 -3.745 1.00 0.00 WT2 O ATOM 32405 H1 TIP3 5797 59.353 1.614 -3.340 1.00 0.00 WT2 H ATOM 32406 H2 TIP3 5797 58.296 2.647 -3.010 1.00 0.00 WT2 H ATOM 32407 OH2 TIP3 5798 55.628 28.665 50.760 1.00 0.00 WT2 O ATOM 32408 H1 TIP3 5798 55.901 28.187 49.977 1.00 0.00 WT2 H ATOM 32409 H2 TIP3 5798 56.076 29.509 50.695 1.00 0.00 WT2 H ATOM 32410 OH2 TIP3 5799 34.560 39.602 40.843 1.00 0.00 WT2 O ATOM 32411 H1 TIP3 5799 34.093 39.490 41.671 1.00 0.00 WT2 H ATOM 32412 H2 TIP3 5799 34.170 38.953 40.258 1.00 0.00 WT2 H ATOM 32413 OH2 TIP3 5800 49.591 20.805 46.548 1.00 0.00 WT2 O ATOM 32414 H1 TIP3 5800 49.157 20.603 45.719 1.00 0.00 WT2 H ATOM 32415 H2 TIP3 5800 49.503 20.005 47.066 1.00 0.00 WT2 H ATOM 32416 OH2 TIP3 5801 59.116 86.639 -7.826 1.00 0.00 WT2 O ATOM 32417 H1 TIP3 5801 58.282 86.588 -7.358 1.00 0.00 WT2 H ATOM 32418 H2 TIP3 5801 58.896 87.041 -8.666 1.00 0.00 WT2 H ATOM 32419 OH2 TIP3 5802 67.831 7.143 -15.729 1.00 0.00 WT2 O ATOM 32420 H1 TIP3 5802 67.341 6.582 -16.330 1.00 0.00 WT2 H ATOM 32421 H2 TIP3 5802 68.688 7.248 -16.143 1.00 0.00 WT2 H ATOM 32422 OH2 TIP3 5818 74.297 14.005 41.481 1.00 0.00 WT2 O ATOM 32423 H1 TIP3 5818 74.560 14.888 41.221 1.00 0.00 WT2 H ATOM 32424 H2 TIP3 5818 74.879 13.787 42.209 1.00 0.00 WT2 H ATOM 32425 OH2 TIP3 5819 21.815 2.082 29.979 1.00 0.00 WT2 O ATOM 32426 H1 TIP3 5819 21.381 1.966 30.825 1.00 0.00 WT2 H ATOM 32427 H2 TIP3 5819 21.803 1.211 29.583 1.00 0.00 WT2 H ATOM 32428 OH2 TIP3 5820 73.921 52.816 38.293 1.00 0.00 WT2 O ATOM 32429 H1 TIP3 5820 74.201 53.417 37.602 1.00 0.00 WT2 H ATOM 32430 H2 TIP3 5820 72.995 53.019 38.427 1.00 0.00 WT2 H ATOM 32431 OH2 TIP3 5821 67.304 23.302 -0.782 1.00 0.00 WT2 O ATOM 32432 H1 TIP3 5821 66.542 23.856 -0.614 1.00 0.00 WT2 H ATOM 32433 H2 TIP3 5821 67.127 22.497 -0.294 1.00 0.00 WT2 H ATOM 32434 OH2 TIP3 5822 23.700 52.708 22.724 1.00 0.00 WT2 O ATOM 32435 H1 TIP3 5822 24.608 52.405 22.713 1.00 0.00 WT2 H ATOM 32436 H2 TIP3 5822 23.606 53.156 23.564 1.00 0.00 WT2 H ATOM 32437 OH2 TIP3 5823 24.640 27.481 55.217 1.00 0.00 WT2 O ATOM 32438 H1 TIP3 5823 25.551 27.516 54.926 1.00 0.00 WT2 H ATOM 32439 H2 TIP3 5823 24.660 26.940 56.006 1.00 0.00 WT2 H ATOM 32440 OH2 TIP3 5825 69.427 81.247 3.959 1.00 0.00 WT2 O ATOM 32441 H1 TIP3 5825 69.868 81.943 3.473 1.00 0.00 WT2 H ATOM 32442 H2 TIP3 5825 68.546 81.586 4.118 1.00 0.00 WT2 H ATOM 32443 OH2 TIP3 5828 41.665 62.306 58.914 1.00 0.00 WT2 O ATOM 32444 H1 TIP3 5828 41.618 63.140 58.446 1.00 0.00 WT2 H ATOM 32445 H2 TIP3 5828 42.596 62.189 59.100 1.00 0.00 WT2 H ATOM 32446 OH2 TIP3 5836 65.202 77.138 51.021 1.00 0.00 WT2 O ATOM 32447 H1 TIP3 5836 64.873 77.230 50.126 1.00 0.00 WT2 H ATOM 32448 H2 TIP3 5836 65.708 76.326 51.009 1.00 0.00 WT2 H ATOM 32449 OH2 TIP3 5837 80.076 53.885 50.814 1.00 0.00 WT2 O ATOM 32450 H1 TIP3 5837 80.245 54.195 49.924 1.00 0.00 WT2 H ATOM 32451 H2 TIP3 5837 79.125 53.785 50.856 1.00 0.00 WT2 H ATOM 32452 OH2 TIP3 5839 43.715 24.396 29.236 1.00 0.00 WT2 O ATOM 32453 H1 TIP3 5839 43.047 24.050 28.644 1.00 0.00 WT2 H ATOM 32454 H2 TIP3 5839 43.988 25.220 28.834 1.00 0.00 WT2 H ATOM 32455 OH2 TIP3 5840 57.589 49.756 41.491 1.00 0.00 WT2 O ATOM 32456 H1 TIP3 5840 57.457 50.697 41.609 1.00 0.00 WT2 H ATOM 32457 H2 TIP3 5840 57.351 49.594 40.577 1.00 0.00 WT2 H ATOM 32458 OH2 TIP3 5841 74.517 2.145 -14.057 1.00 0.00 WT2 O ATOM 32459 H1 TIP3 5841 74.260 1.226 -14.130 1.00 0.00 WT2 H ATOM 32460 H2 TIP3 5841 73.695 2.630 -14.130 1.00 0.00 WT2 H ATOM 32461 OH2 TIP3 5843 83.107 9.192 35.610 1.00 0.00 WT2 O ATOM 32462 H1 TIP3 5843 83.134 8.909 36.524 1.00 0.00 WT2 H ATOM 32463 H2 TIP3 5843 83.091 8.377 35.107 1.00 0.00 WT2 H ATOM 32464 OH2 TIP3 5844 35.027 46.194 45.461 1.00 0.00 WT2 O ATOM 32465 H1 TIP3 5844 35.547 46.705 44.841 1.00 0.00 WT2 H ATOM 32466 H2 TIP3 5844 34.208 46.681 45.548 1.00 0.00 WT2 H ATOM 32467 OH2 TIP3 5846 58.231 28.462 44.396 1.00 0.00 WT2 O ATOM 32468 H1 TIP3 5846 57.857 28.398 43.517 1.00 0.00 WT2 H ATOM 32469 H2 TIP3 5846 57.677 27.897 44.935 1.00 0.00 WT2 H ATOM 32470 OH2 TIP3 5859 60.855 15.078 54.685 1.00 0.00 WT2 O ATOM 32471 H1 TIP3 5859 60.911 14.436 55.392 1.00 0.00 WT2 H ATOM 32472 H2 TIP3 5859 60.784 15.922 55.131 1.00 0.00 WT2 H ATOM 32473 OH2 TIP3 5860 45.625 79.938 37.157 1.00 0.00 WT2 O ATOM 32474 H1 TIP3 5860 46.421 79.480 36.887 1.00 0.00 WT2 H ATOM 32475 H2 TIP3 5860 45.207 80.198 36.335 1.00 0.00 WT2 H ATOM 32476 OH2 TIP3 5861 46.158 12.819 36.540 1.00 0.00 WT2 O ATOM 32477 H1 TIP3 5861 45.577 12.180 36.953 1.00 0.00 WT2 H ATOM 32478 H2 TIP3 5861 46.228 12.527 35.631 1.00 0.00 WT2 H ATOM 32479 OH2 TIP3 5862 44.073 82.851 -14.980 1.00 0.00 WT2 O ATOM 32480 H1 TIP3 5862 44.170 81.953 -15.297 1.00 0.00 WT2 H ATOM 32481 H2 TIP3 5862 44.644 82.897 -14.213 1.00 0.00 WT2 H ATOM 32482 OH2 TIP3 5863 58.445 40.992 59.538 1.00 0.00 WT2 O ATOM 32483 H1 TIP3 5863 58.771 40.436 58.831 1.00 0.00 WT2 H ATOM 32484 H2 TIP3 5863 57.499 40.848 59.540 1.00 0.00 WT2 H ATOM 32485 OH2 TIP3 5865 51.666 15.630 65.623 1.00 0.00 WT2 O ATOM 32486 H1 TIP3 5865 51.985 16.527 65.727 1.00 0.00 WT2 H ATOM 32487 H2 TIP3 5865 51.708 15.469 64.680 1.00 0.00 WT2 H ATOM 32488 OH2 TIP3 5866 84.477 85.970 34.703 1.00 0.00 WT2 O ATOM 32489 H1 TIP3 5866 85.004 85.343 34.208 1.00 0.00 WT2 H ATOM 32490 H2 TIP3 5866 83.574 85.778 34.449 1.00 0.00 WT2 H ATOM 32491 OH2 TIP3 5869 43.688 20.965 62.265 1.00 0.00 WT2 O ATOM 32492 H1 TIP3 5869 43.983 20.225 61.734 1.00 0.00 WT2 H ATOM 32493 H2 TIP3 5869 43.551 21.673 61.635 1.00 0.00 WT2 H ATOM 32494 OH2 TIP3 5881 43.182 19.145 31.448 1.00 0.00 WT2 O ATOM 32495 H1 TIP3 5881 42.294 19.484 31.336 1.00 0.00 WT2 H ATOM 32496 H2 TIP3 5881 43.144 18.254 31.101 1.00 0.00 WT2 H ATOM 32497 OH2 TIP3 5883 20.483 53.386 18.801 1.00 0.00 WT2 O ATOM 32498 H1 TIP3 5883 21.046 53.556 18.046 1.00 0.00 WT2 H ATOM 32499 H2 TIP3 5883 19.986 52.604 18.559 1.00 0.00 WT2 H ATOM 32500 OH2 TIP3 5884 58.127 62.968 61.998 1.00 0.00 WT2 O ATOM 32501 H1 TIP3 5884 57.606 62.801 61.213 1.00 0.00 WT2 H ATOM 32502 H2 TIP3 5884 57.536 62.771 62.725 1.00 0.00 WT2 H ATOM 32503 OH2 TIP3 5885 57.796 36.347 49.639 1.00 0.00 WT2 O ATOM 32504 H1 TIP3 5885 57.898 36.722 48.764 1.00 0.00 WT2 H ATOM 32505 H2 TIP3 5885 56.851 36.344 49.790 1.00 0.00 WT2 H ATOM 32506 OH2 TIP3 5886 30.946 73.125 23.588 1.00 0.00 WT2 O ATOM 32507 H1 TIP3 5886 31.413 73.482 22.833 1.00 0.00 WT2 H ATOM 32508 H2 TIP3 5886 31.026 72.176 23.492 1.00 0.00 WT2 H ATOM 32509 OH2 TIP3 5887 71.970 7.657 64.107 1.00 0.00 WT2 O ATOM 32510 H1 TIP3 5887 71.018 7.642 64.003 1.00 0.00 WT2 H ATOM 32511 H2 TIP3 5887 72.107 7.730 65.051 1.00 0.00 WT2 H ATOM 32512 OH2 TIP3 5889 84.496 3.917 34.054 1.00 0.00 WT2 O ATOM 32513 H1 TIP3 5889 83.967 3.184 34.369 1.00 0.00 WT2 H ATOM 32514 H2 TIP3 5889 85.030 3.544 33.353 1.00 0.00 WT2 H ATOM 32515 OH2 TIP3 5899 69.690 27.844 49.978 1.00 0.00 WT2 O ATOM 32516 H1 TIP3 5899 69.462 27.983 50.897 1.00 0.00 WT2 H ATOM 32517 H2 TIP3 5899 70.398 28.465 49.810 1.00 0.00 WT2 H ATOM 32518 OH2 TIP3 5901 30.921 48.160 5.676 1.00 0.00 WT2 O ATOM 32519 H1 TIP3 5901 31.436 48.214 4.871 1.00 0.00 WT2 H ATOM 32520 H2 TIP3 5901 30.298 47.451 5.515 1.00 0.00 WT2 H ATOM 32521 OH2 TIP3 5903 47.979 56.559 53.844 1.00 0.00 WT2 O ATOM 32522 H1 TIP3 5903 48.299 56.475 52.946 1.00 0.00 WT2 H ATOM 32523 H2 TIP3 5903 47.032 56.667 53.753 1.00 0.00 WT2 H ATOM 32524 OH2 TIP3 5904 53.513 61.696 -14.204 1.00 0.00 WT2 O ATOM 32525 H1 TIP3 5904 53.781 61.281 -13.385 1.00 0.00 WT2 H ATOM 32526 H2 TIP3 5904 53.318 62.601 -13.961 1.00 0.00 WT2 H ATOM 32527 OH2 TIP3 5905 57.219 9.866 39.419 1.00 0.00 WT2 O ATOM 32528 H1 TIP3 5905 57.894 9.980 38.749 1.00 0.00 WT2 H ATOM 32529 H2 TIP3 5905 57.228 8.929 39.611 1.00 0.00 WT2 H ATOM 32530 OH2 TIP3 5906 55.428 30.489 59.976 1.00 0.00 WT2 O ATOM 32531 H1 TIP3 5906 55.257 29.547 59.992 1.00 0.00 WT2 H ATOM 32532 H2 TIP3 5906 54.647 30.868 59.573 1.00 0.00 WT2 H ATOM 32533 OH2 TIP3 5909 39.566 35.643 34.336 1.00 0.00 WT2 O ATOM 32534 H1 TIP3 5909 39.358 36.222 33.603 1.00 0.00 WT2 H ATOM 32535 H2 TIP3 5909 40.523 35.614 34.356 1.00 0.00 WT2 H ATOM 32536 OH2 TIP3 5911 23.170 89.261 -18.768 1.00 0.00 WT2 O ATOM 32537 H1 TIP3 5911 22.361 89.728 -18.560 1.00 0.00 WT2 H ATOM 32538 H2 TIP3 5911 23.078 88.414 -18.331 1.00 0.00 WT2 H ATOM 32539 OH2 TIP3 5920 83.885 70.365 6.971 1.00 0.00 WT2 O ATOM 32540 H1 TIP3 5920 83.503 70.111 6.131 1.00 0.00 WT2 H ATOM 32541 H2 TIP3 5920 83.864 69.565 7.496 1.00 0.00 WT2 H ATOM 32542 OH2 TIP3 5925 69.721 18.205 -16.984 1.00 0.00 WT2 O ATOM 32543 H1 TIP3 5925 69.908 17.302 -16.727 1.00 0.00 WT2 H ATOM 32544 H2 TIP3 5925 69.825 18.710 -16.177 1.00 0.00 WT2 H ATOM 32545 OH2 TIP3 5926 59.760 67.705 -1.997 1.00 0.00 WT2 O ATOM 32546 H1 TIP3 5926 58.902 67.460 -2.342 1.00 0.00 WT2 H ATOM 32547 H2 TIP3 5926 59.594 68.488 -1.472 1.00 0.00 WT2 H ATOM 32548 OH2 TIP3 5927 52.043 4.153 51.897 1.00 0.00 WT2 O ATOM 32549 H1 TIP3 5927 51.251 4.464 51.460 1.00 0.00 WT2 H ATOM 32550 H2 TIP3 5927 52.313 4.882 52.454 1.00 0.00 WT2 H ATOM 32551 OH2 TIP3 5928 52.542 40.783 -16.195 1.00 0.00 WT2 O ATOM 32552 H1 TIP3 5928 52.244 40.387 -15.375 1.00 0.00 WT2 H ATOM 32553 H2 TIP3 5928 52.785 41.677 -15.955 1.00 0.00 WT2 H ATOM 32554 OH2 TIP3 5941 62.059 46.233 -15.836 1.00 0.00 WT2 O ATOM 32555 H1 TIP3 5941 62.247 45.338 -15.554 1.00 0.00 WT2 H ATOM 32556 H2 TIP3 5941 61.367 46.530 -15.245 1.00 0.00 WT2 H ATOM 32557 OH2 TIP3 5945 68.880 39.274 -1.912 1.00 0.00 WT2 O ATOM 32558 H1 TIP3 5945 69.019 38.574 -1.275 1.00 0.00 WT2 H ATOM 32559 H2 TIP3 5945 69.691 39.781 -1.893 1.00 0.00 WT2 H ATOM 32560 OH2 TIP3 5946 35.632 41.214 63.254 1.00 0.00 WT2 O ATOM 32561 H1 TIP3 5946 36.496 41.271 63.661 1.00 0.00 WT2 H ATOM 32562 H2 TIP3 5946 35.045 40.967 63.968 1.00 0.00 WT2 H ATOM 32563 OH2 TIP3 5947 45.923 38.340 8.961 1.00 0.00 WT2 O ATOM 32564 H1 TIP3 5947 45.850 39.199 9.377 1.00 0.00 WT2 H ATOM 32565 H2 TIP3 5947 46.572 37.873 9.487 1.00 0.00 WT2 H ATOM 32566 OH2 TIP3 5948 33.663 0.672 12.486 1.00 0.00 WT2 O ATOM 32567 H1 TIP3 5948 33.350 0.600 11.584 1.00 0.00 WT2 H ATOM 32568 H2 TIP3 5948 33.813 1.609 12.614 1.00 0.00 WT2 H ATOM 32569 OH2 TIP3 5949 62.671 89.555 38.247 1.00 0.00 WT2 O ATOM 32570 H1 TIP3 5949 62.890 89.897 39.114 1.00 0.00 WT2 H ATOM 32571 H2 TIP3 5949 62.651 88.605 38.362 1.00 0.00 WT2 H ATOM 32572 OH2 TIP3 5950 81.507 76.245 16.158 1.00 0.00 WT2 O ATOM 32573 H1 TIP3 5950 80.720 76.142 16.694 1.00 0.00 WT2 H ATOM 32574 H2 TIP3 5950 81.547 77.182 15.967 1.00 0.00 WT2 H ATOM 32575 OH2 TIP3 5964 62.427 14.424 63.157 1.00 0.00 WT2 O ATOM 32576 H1 TIP3 5964 61.987 14.491 64.004 1.00 0.00 WT2 H ATOM 32577 H2 TIP3 5964 63.036 15.163 63.144 1.00 0.00 WT2 H ATOM 32578 OH2 TIP3 5965 65.930 16.727 18.226 1.00 0.00 WT2 O ATOM 32579 H1 TIP3 5965 65.827 17.121 17.359 1.00 0.00 WT2 H ATOM 32580 H2 TIP3 5965 66.208 15.828 18.050 1.00 0.00 WT2 H ATOM 32581 OH2 TIP3 5966 81.729 95.933 24.521 1.00 0.00 WT2 O ATOM 32582 H1 TIP3 5966 81.704 96.068 25.468 1.00 0.00 WT2 H ATOM 32583 H2 TIP3 5966 82.618 96.179 24.266 1.00 0.00 WT2 H ATOM 32584 OH2 TIP3 5968 48.566 27.045 34.691 1.00 0.00 WT2 O ATOM 32585 H1 TIP3 5968 48.808 26.595 33.882 1.00 0.00 WT2 H ATOM 32586 H2 TIP3 5968 48.808 27.958 34.540 1.00 0.00 WT2 H ATOM 32587 OH2 TIP3 5969 54.020 37.832 52.397 1.00 0.00 WT2 O ATOM 32588 H1 TIP3 5969 54.302 38.320 51.623 1.00 0.00 WT2 H ATOM 32589 H2 TIP3 5969 53.064 37.825 52.341 1.00 0.00 WT2 H ATOM 32590 OH2 TIP3 5970 73.175 8.394 9.024 1.00 0.00 WT2 O ATOM 32591 H1 TIP3 5970 73.275 9.234 8.576 1.00 0.00 WT2 H ATOM 32592 H2 TIP3 5970 73.815 7.820 8.603 1.00 0.00 WT2 H ATOM 32593 OH2 TIP3 5986 82.526 28.652 16.341 1.00 0.00 WT2 O ATOM 32594 H1 TIP3 5986 81.707 28.338 16.724 1.00 0.00 WT2 H ATOM 32595 H2 TIP3 5986 82.886 29.247 16.999 1.00 0.00 WT2 H ATOM 32596 OH2 TIP3 5987 77.210 51.808 -12.278 1.00 0.00 WT2 O ATOM 32597 H1 TIP3 5987 77.301 50.932 -12.654 1.00 0.00 WT2 H ATOM 32598 H2 TIP3 5987 76.310 51.837 -11.952 1.00 0.00 WT2 H ATOM 32599 OH2 TIP3 5988 54.483 40.151 50.903 1.00 0.00 WT2 O ATOM 32600 H1 TIP3 5988 54.035 40.766 51.484 1.00 0.00 WT2 H ATOM 32601 H2 TIP3 5988 54.042 40.254 50.060 1.00 0.00 WT2 H ATOM 32602 OH2 TIP3 5989 48.306 35.828 49.878 1.00 0.00 WT2 O ATOM 32603 H1 TIP3 5989 48.944 36.482 49.592 1.00 0.00 WT2 H ATOM 32604 H2 TIP3 5989 47.459 36.262 49.785 1.00 0.00 WT2 H ATOM 32605 OH2 TIP3 5990 41.335 37.441 -6.964 1.00 0.00 WT2 O ATOM 32606 H1 TIP3 5990 41.188 36.500 -6.864 1.00 0.00 WT2 H ATOM 32607 H2 TIP3 5990 41.059 37.633 -7.860 1.00 0.00 WT2 H ATOM 32608 OH2 TIP3 5991 60.891 33.609 -16.721 1.00 0.00 WT2 O ATOM 32609 H1 TIP3 5991 60.897 34.114 -15.908 1.00 0.00 WT2 H ATOM 32610 H2 TIP3 5991 60.090 33.087 -16.674 1.00 0.00 WT2 H ATOM 32611 OH2 TIP3 5992 70.695 36.428 -7.662 1.00 0.00 WT2 O ATOM 32612 H1 TIP3 5992 70.291 37.237 -7.976 1.00 0.00 WT2 H ATOM 32613 H2 TIP3 5992 71.381 36.719 -7.062 1.00 0.00 WT2 H ATOM 32614 OH2 TIP3 5994 80.513 25.599 53.095 1.00 0.00 WT2 O ATOM 32615 H1 TIP3 5994 81.344 26.057 52.970 1.00 0.00 WT2 H ATOM 32616 H2 TIP3 5994 80.497 24.936 52.404 1.00 0.00 WT2 H ATOM 32617 OH2 TIP3 6006 33.544 41.683 45.101 1.00 0.00 WT2 O ATOM 32618 H1 TIP3 6006 33.091 41.643 45.944 1.00 0.00 WT2 H ATOM 32619 H2 TIP3 6006 34.336 42.190 45.279 1.00 0.00 WT2 H ATOM 32620 OH2 TIP3 6009 47.255 34.391 0.822 1.00 0.00 WT2 O ATOM 32621 H1 TIP3 6009 47.655 34.453 1.690 1.00 0.00 WT2 H ATOM 32622 H2 TIP3 6009 47.325 35.275 0.463 1.00 0.00 WT2 H ATOM 32623 OH2 TIP3 6011 81.957 55.619 29.029 1.00 0.00 WT2 O ATOM 32624 H1 TIP3 6011 81.466 56.250 29.556 1.00 0.00 WT2 H ATOM 32625 H2 TIP3 6011 82.357 56.144 28.336 1.00 0.00 WT2 H ATOM 32626 OH2 TIP3 6013 36.129 38.358 -8.315 1.00 0.00 WT2 O ATOM 32627 H1 TIP3 6013 36.229 38.512 -7.376 1.00 0.00 WT2 H ATOM 32628 H2 TIP3 6013 35.249 38.676 -8.517 1.00 0.00 WT2 H ATOM 32629 OH2 TIP3 6014 81.414 86.011 17.818 1.00 0.00 WT2 O ATOM 32630 H1 TIP3 6014 81.344 85.069 17.667 1.00 0.00 WT2 H ATOM 32631 H2 TIP3 6014 81.125 86.131 18.723 1.00 0.00 WT2 H ATOM 32632 OH2 TIP3 6019 56.368 25.894 56.647 1.00 0.00 WT2 O ATOM 32633 H1 TIP3 6019 56.311 26.621 56.027 1.00 0.00 WT2 H ATOM 32634 H2 TIP3 6019 56.020 26.249 57.465 1.00 0.00 WT2 H ATOM 32635 OH2 TIP3 6027 58.846 14.109 -12.802 1.00 0.00 WT2 O ATOM 32636 H1 TIP3 6027 59.379 13.404 -13.171 1.00 0.00 WT2 H ATOM 32637 H2 TIP3 6027 59.159 14.900 -13.240 1.00 0.00 WT2 H ATOM 32638 OH2 TIP3 6028 28.632 47.981 9.485 1.00 0.00 WT2 O ATOM 32639 H1 TIP3 6028 28.598 48.902 9.226 1.00 0.00 WT2 H ATOM 32640 H2 TIP3 6028 29.542 47.839 9.746 1.00 0.00 WT2 H ATOM 32641 OH2 TIP3 6029 63.629 30.962 16.482 1.00 0.00 WT2 O ATOM 32642 H1 TIP3 6029 63.253 31.800 16.750 1.00 0.00 WT2 H ATOM 32643 H2 TIP3 6029 62.871 30.404 16.308 1.00 0.00 WT2 H ATOM 32644 OH2 TIP3 6030 77.489 65.468 63.863 1.00 0.00 WT2 O ATOM 32645 H1 TIP3 6030 76.637 65.280 64.257 1.00 0.00 WT2 H ATOM 32646 H2 TIP3 6030 77.333 65.418 62.920 1.00 0.00 WT2 H ATOM 32647 OH2 TIP3 6031 41.261 95.489 -2.816 1.00 0.00 WT2 O ATOM 32648 H1 TIP3 6031 41.376 95.980 -3.630 1.00 0.00 WT2 H ATOM 32649 H2 TIP3 6031 42.087 95.020 -2.700 1.00 0.00 WT2 H ATOM 32650 OH2 TIP3 6034 35.230 40.002 14.540 1.00 0.00 WT2 O ATOM 32651 H1 TIP3 6034 36.154 39.763 14.459 1.00 0.00 WT2 H ATOM 32652 H2 TIP3 6034 34.920 40.070 13.637 1.00 0.00 WT2 H ATOM 32653 OH2 TIP3 6035 42.871 55.233 49.961 1.00 0.00 WT2 O ATOM 32654 H1 TIP3 6035 43.298 54.399 49.768 1.00 0.00 WT2 H ATOM 32655 H2 TIP3 6035 43.128 55.807 49.239 1.00 0.00 WT2 H ATOM 32656 OH2 TIP3 6036 79.840 34.551 -17.386 1.00 0.00 WT2 O ATOM 32657 H1 TIP3 6036 79.517 34.377 -18.270 1.00 0.00 WT2 H ATOM 32658 H2 TIP3 6036 80.735 34.864 -17.515 1.00 0.00 WT2 H ATOM 32659 OH2 TIP3 6037 75.526 22.618 39.465 1.00 0.00 WT2 O ATOM 32660 H1 TIP3 6037 76.040 23.396 39.246 1.00 0.00 WT2 H ATOM 32661 H2 TIP3 6037 76.155 21.898 39.432 1.00 0.00 WT2 H ATOM 32662 OH2 TIP3 6046 69.822 62.400 41.301 1.00 0.00 WT2 O ATOM 32663 H1 TIP3 6046 68.947 62.778 41.390 1.00 0.00 WT2 H ATOM 32664 H2 TIP3 6046 69.954 62.319 40.357 1.00 0.00 WT2 H ATOM 32665 OH2 TIP3 6048 44.555 39.339 61.909 1.00 0.00 WT2 O ATOM 32666 H1 TIP3 6048 44.387 38.736 62.633 1.00 0.00 WT2 H ATOM 32667 H2 TIP3 6048 43.788 39.255 61.343 1.00 0.00 WT2 H ATOM 32668 OH2 TIP3 6049 25.955 44.856 39.584 1.00 0.00 WT2 O ATOM 32669 H1 TIP3 6049 25.539 44.172 39.059 1.00 0.00 WT2 H ATOM 32670 H2 TIP3 6049 26.223 44.412 40.389 1.00 0.00 WT2 H ATOM 32671 OH2 TIP3 6051 23.255 23.765 52.432 1.00 0.00 WT2 O ATOM 32672 H1 TIP3 6051 22.977 24.634 52.722 1.00 0.00 WT2 H ATOM 32673 H2 TIP3 6051 23.944 23.516 53.048 1.00 0.00 WT2 H ATOM 32674 OH2 TIP3 6054 28.903 35.596 59.835 1.00 0.00 WT2 O ATOM 32675 H1 TIP3 6054 29.030 35.112 60.651 1.00 0.00 WT2 H ATOM 32676 H2 TIP3 6054 29.678 36.154 59.764 1.00 0.00 WT2 H ATOM 32677 OH2 TIP3 6068 54.252 54.106 53.247 1.00 0.00 WT2 O ATOM 32678 H1 TIP3 6068 53.721 54.853 52.971 1.00 0.00 WT2 H ATOM 32679 H2 TIP3 6068 54.248 54.149 54.203 1.00 0.00 WT2 H ATOM 32680 OH2 TIP3 6070 84.135 76.707 8.166 1.00 0.00 WT2 O ATOM 32681 H1 TIP3 6070 83.448 76.069 8.358 1.00 0.00 WT2 H ATOM 32682 H2 TIP3 6070 84.773 76.592 8.870 1.00 0.00 WT2 H ATOM 32683 OH2 TIP3 6072 57.942 14.535 50.816 1.00 0.00 WT2 O ATOM 32684 H1 TIP3 6072 57.187 14.036 50.504 1.00 0.00 WT2 H ATOM 32685 H2 TIP3 6072 57.645 14.935 51.633 1.00 0.00 WT2 H ATOM 32686 OH2 TIP3 6073 50.481 31.672 40.097 1.00 0.00 WT2 O ATOM 32687 H1 TIP3 6073 50.606 31.076 39.358 1.00 0.00 WT2 H ATOM 32688 H2 TIP3 6073 50.924 32.478 39.832 1.00 0.00 WT2 H ATOM 32689 OH2 TIP3 6074 34.259 32.449 -7.591 1.00 0.00 WT2 O ATOM 32690 H1 TIP3 6074 33.378 32.148 -7.814 1.00 0.00 WT2 H ATOM 32691 H2 TIP3 6074 34.842 31.812 -8.004 1.00 0.00 WT2 H ATOM 32692 OH2 TIP3 6075 54.958 83.207 -19.521 1.00 0.00 WT2 O ATOM 32693 H1 TIP3 6075 55.295 82.346 -19.272 1.00 0.00 WT2 H ATOM 32694 H2 TIP3 6075 54.605 83.571 -18.708 1.00 0.00 WT2 H ATOM 32695 OH2 TIP3 6077 64.912 94.976 -8.870 1.00 0.00 WT2 O ATOM 32696 H1 TIP3 6077 64.895 94.341 -9.587 1.00 0.00 WT2 H ATOM 32697 H2 TIP3 6077 64.668 95.806 -9.278 1.00 0.00 WT2 H ATOM 32698 OH2 TIP3 6079 76.335 20.458 57.194 1.00 0.00 WT2 O ATOM 32699 H1 TIP3 6079 76.832 20.536 56.379 1.00 0.00 WT2 H ATOM 32700 H2 TIP3 6079 77.002 20.355 57.873 1.00 0.00 WT2 H ATOM 32701 OH2 TIP3 6090 59.129 85.517 59.145 1.00 0.00 WT2 O ATOM 32702 H1 TIP3 6090 58.400 85.839 59.675 1.00 0.00 WT2 H ATOM 32703 H2 TIP3 6090 59.470 84.768 59.635 1.00 0.00 WT2 H ATOM 32704 OH2 TIP3 6091 71.374 94.664 21.133 1.00 0.00 WT2 O ATOM 32705 H1 TIP3 6091 70.427 94.696 21.003 1.00 0.00 WT2 H ATOM 32706 H2 TIP3 6091 71.738 95.072 20.347 1.00 0.00 WT2 H ATOM 32707 OH2 TIP3 6093 74.410 34.885 -19.320 1.00 0.00 WT2 O ATOM 32708 H1 TIP3 6093 75.128 34.395 -18.921 1.00 0.00 WT2 H ATOM 32709 H2 TIP3 6093 73.734 34.914 -18.643 1.00 0.00 WT2 H ATOM 32710 OH2 TIP3 6095 85.449 57.614 18.200 1.00 0.00 WT2 O ATOM 32711 H1 TIP3 6095 85.012 58.106 17.506 1.00 0.00 WT2 H ATOM 32712 H2 TIP3 6095 85.096 57.979 19.012 1.00 0.00 WT2 H ATOM 32713 OH2 TIP3 6096 79.524 45.811 -14.863 1.00 0.00 WT2 O ATOM 32714 H1 TIP3 6096 80.044 46.310 -14.233 1.00 0.00 WT2 H ATOM 32715 H2 TIP3 6096 79.802 44.903 -14.739 1.00 0.00 WT2 H ATOM 32716 OH2 TIP3 6097 22.206 59.614 28.106 1.00 0.00 WT2 O ATOM 32717 H1 TIP3 6097 21.955 60.230 28.794 1.00 0.00 WT2 H ATOM 32718 H2 TIP3 6097 23.158 59.693 28.048 1.00 0.00 WT2 H ATOM 32719 OH2 TIP3 6098 44.070 36.150 24.796 1.00 0.00 WT2 O ATOM 32720 H1 TIP3 6098 43.200 36.083 24.401 1.00 0.00 WT2 H ATOM 32721 H2 TIP3 6098 44.667 35.842 24.115 1.00 0.00 WT2 H ATOM 32722 OH2 TIP3 6100 71.974 40.702 -6.552 1.00 0.00 WT2 O ATOM 32723 H1 TIP3 6100 71.193 40.536 -7.079 1.00 0.00 WT2 H ATOM 32724 H2 TIP3 6100 71.659 41.221 -5.812 1.00 0.00 WT2 H ATOM 32725 OH2 TIP3 6102 44.225 45.077 37.149 1.00 0.00 WT2 O ATOM 32726 H1 TIP3 6102 44.539 45.869 37.584 1.00 0.00 WT2 H ATOM 32727 H2 TIP3 6102 45.011 44.683 36.771 1.00 0.00 WT2 H ATOM 32728 OH2 TIP3 6110 43.643 22.164 51.782 1.00 0.00 WT2 O ATOM 32729 H1 TIP3 6110 42.751 21.944 51.514 1.00 0.00 WT2 H ATOM 32730 H2 TIP3 6110 44.155 22.116 50.975 1.00 0.00 WT2 H ATOM 32731 OH2 TIP3 6112 79.826 10.783 -15.933 1.00 0.00 WT2 O ATOM 32732 H1 TIP3 6112 80.082 10.483 -15.060 1.00 0.00 WT2 H ATOM 32733 H2 TIP3 6112 79.540 9.989 -16.384 1.00 0.00 WT2 H ATOM 32734 OH2 TIP3 6113 86.064 26.405 9.474 1.00 0.00 WT2 O ATOM 32735 H1 TIP3 6113 86.964 26.245 9.188 1.00 0.00 WT2 H ATOM 32736 H2 TIP3 6113 85.692 26.965 8.793 1.00 0.00 WT2 H ATOM 32737 OH2 TIP3 6115 51.118 43.625 -18.085 1.00 0.00 WT2 O ATOM 32738 H1 TIP3 6115 50.617 43.073 -17.484 1.00 0.00 WT2 H ATOM 32739 H2 TIP3 6115 51.251 44.443 -17.606 1.00 0.00 WT2 H ATOM 32740 OH2 TIP3 6116 86.783 8.097 62.261 1.00 0.00 WT2 O ATOM 32741 H1 TIP3 6116 87.708 7.876 62.154 1.00 0.00 WT2 H ATOM 32742 H2 TIP3 6116 86.694 8.957 61.850 1.00 0.00 WT2 H ATOM 32743 OH2 TIP3 6117 59.587 38.627 0.127 1.00 0.00 WT2 O ATOM 32744 H1 TIP3 6117 59.565 39.135 -0.684 1.00 0.00 WT2 H ATOM 32745 H2 TIP3 6117 58.680 38.357 0.267 1.00 0.00 WT2 H ATOM 32746 OH2 TIP3 6120 60.189 62.389 40.623 1.00 0.00 WT2 O ATOM 32747 H1 TIP3 6120 59.793 61.706 40.081 1.00 0.00 WT2 H ATOM 32748 H2 TIP3 6120 59.521 63.071 40.676 1.00 0.00 WT2 H ATOM 32749 OH2 TIP3 6132 86.389 76.694 37.834 1.00 0.00 WT2 O ATOM 32750 H1 TIP3 6132 85.805 76.693 37.076 1.00 0.00 WT2 H ATOM 32751 H2 TIP3 6132 86.016 77.349 38.424 1.00 0.00 WT2 H ATOM 32752 OH2 TIP3 6133 56.054 57.259 -16.289 1.00 0.00 WT2 O ATOM 32753 H1 TIP3 6133 55.242 57.356 -15.791 1.00 0.00 WT2 H ATOM 32754 H2 TIP3 6133 55.982 57.906 -16.991 1.00 0.00 WT2 H ATOM 32755 OH2 TIP3 6134 79.487 0.182 52.433 1.00 0.00 WT2 O ATOM 32756 H1 TIP3 6134 78.591 0.248 52.763 1.00 0.00 WT2 H ATOM 32757 H2 TIP3 6134 79.934 0.945 52.798 1.00 0.00 WT2 H ATOM 32758 OH2 TIP3 6136 81.644 75.209 -12.159 1.00 0.00 WT2 O ATOM 32759 H1 TIP3 6136 82.097 76.026 -11.947 1.00 0.00 WT2 H ATOM 32760 H2 TIP3 6136 81.006 75.456 -12.828 1.00 0.00 WT2 H ATOM 32761 OH2 TIP3 6137 57.657 7.599 -17.520 1.00 0.00 WT2 O ATOM 32762 H1 TIP3 6137 58.061 6.734 -17.580 1.00 0.00 WT2 H ATOM 32763 H2 TIP3 6137 58.392 8.200 -17.401 1.00 0.00 WT2 H ATOM 32764 OH2 TIP3 6138 65.672 15.473 -3.696 1.00 0.00 WT2 O ATOM 32765 H1 TIP3 6138 66.487 15.871 -3.390 1.00 0.00 WT2 H ATOM 32766 H2 TIP3 6138 65.125 16.214 -3.956 1.00 0.00 WT2 H ATOM 32767 OH2 TIP3 6141 53.254 78.668 53.378 1.00 0.00 WT2 O ATOM 32768 H1 TIP3 6141 53.660 78.803 52.522 1.00 0.00 WT2 H ATOM 32769 H2 TIP3 6141 52.505 79.264 53.385 1.00 0.00 WT2 H ATOM 32770 OH2 TIP3 6155 38.966 87.387 -19.519 1.00 0.00 WT2 O ATOM 32771 H1 TIP3 6155 38.893 86.435 -19.581 1.00 0.00 WT2 H ATOM 32772 H2 TIP3 6155 38.065 87.702 -19.592 1.00 0.00 WT2 H ATOM 32773 OH2 TIP3 6158 40.344 35.514 49.319 1.00 0.00 WT2 O ATOM 32774 H1 TIP3 6158 41.141 35.825 49.749 1.00 0.00 WT2 H ATOM 32775 H2 TIP3 6158 40.566 34.636 49.009 1.00 0.00 WT2 H ATOM 32776 OH2 TIP3 6159 63.494 11.251 56.883 1.00 0.00 WT2 O ATOM 32777 H1 TIP3 6159 63.061 11.894 57.444 1.00 0.00 WT2 H ATOM 32778 H2 TIP3 6159 62.788 10.879 56.355 1.00 0.00 WT2 H ATOM 32779 OH2 TIP3 6160 34.257 4.193 39.355 1.00 0.00 WT2 O ATOM 32780 H1 TIP3 6160 34.704 3.382 39.598 1.00 0.00 WT2 H ATOM 32781 H2 TIP3 6160 34.945 4.744 38.982 1.00 0.00 WT2 H ATOM 32782 OH2 TIP3 6162 21.249 48.626 29.930 1.00 0.00 WT2 O ATOM 32783 H1 TIP3 6162 20.331 48.762 30.165 1.00 0.00 WT2 H ATOM 32784 H2 TIP3 6162 21.464 49.370 29.368 1.00 0.00 WT2 H ATOM 32785 OH2 TIP3 6176 87.774 56.522 40.148 1.00 0.00 WT2 O ATOM 32786 H1 TIP3 6176 88.711 56.468 39.958 1.00 0.00 WT2 H ATOM 32787 H2 TIP3 6176 87.682 57.316 40.675 1.00 0.00 WT2 H ATOM 32788 OH2 TIP3 6177 55.154 22.660 47.496 1.00 0.00 WT2 O ATOM 32789 H1 TIP3 6177 54.550 22.009 47.138 1.00 0.00 WT2 H ATOM 32790 H2 TIP3 6177 54.994 23.447 46.975 1.00 0.00 WT2 H ATOM 32791 OH2 TIP3 6178 67.466 34.064 38.115 1.00 0.00 WT2 O ATOM 32792 H1 TIP3 6178 66.716 33.857 37.557 1.00 0.00 WT2 H ATOM 32793 H2 TIP3 6178 67.277 34.939 38.455 1.00 0.00 WT2 H ATOM 32794 OH2 TIP3 6181 61.690 84.996 54.359 1.00 0.00 WT2 O ATOM 32795 H1 TIP3 6181 61.318 84.913 55.237 1.00 0.00 WT2 H ATOM 32796 H2 TIP3 6181 62.576 84.644 54.439 1.00 0.00 WT2 H ATOM 32797 OH2 TIP3 6182 36.218 88.234 25.303 1.00 0.00 WT2 O ATOM 32798 H1 TIP3 6182 36.649 87.649 25.926 1.00 0.00 WT2 H ATOM 32799 H2 TIP3 6182 35.992 87.671 24.562 1.00 0.00 WT2 H ATOM 32800 OH2 TIP3 6183 42.046 5.316 45.791 1.00 0.00 WT2 O ATOM 32801 H1 TIP3 6183 42.389 4.852 46.555 1.00 0.00 WT2 H ATOM 32802 H2 TIP3 6183 42.824 5.644 45.340 1.00 0.00 WT2 H ATOM 32803 OH2 TIP3 6190 86.308 58.755 -1.038 1.00 0.00 WT2 O ATOM 32804 H1 TIP3 6190 85.902 57.995 -1.454 1.00 0.00 WT2 H ATOM 32805 H2 TIP3 6190 85.762 58.927 -0.270 1.00 0.00 WT2 H ATOM 32806 OH2 TIP3 6195 34.076 58.082 49.780 1.00 0.00 WT2 O ATOM 32807 H1 TIP3 6195 34.187 59.007 49.564 1.00 0.00 WT2 H ATOM 32808 H2 TIP3 6195 34.962 57.773 49.973 1.00 0.00 WT2 H ATOM 32809 OH2 TIP3 6197 73.595 78.404 -12.881 1.00 0.00 WT2 O ATOM 32810 H1 TIP3 6197 73.732 78.870 -13.706 1.00 0.00 WT2 H ATOM 32811 H2 TIP3 6197 73.601 79.090 -12.214 1.00 0.00 WT2 H ATOM 32812 OH2 TIP3 6198 53.565 1.925 51.296 1.00 0.00 WT2 O ATOM 32813 H1 TIP3 6198 53.764 1.318 52.009 1.00 0.00 WT2 H ATOM 32814 H2 TIP3 6198 52.963 2.560 51.683 1.00 0.00 WT2 H ATOM 32815 OH2 TIP3 6200 83.080 77.388 -14.702 1.00 0.00 WT2 O ATOM 32816 H1 TIP3 6200 83.594 77.535 -13.908 1.00 0.00 WT2 H ATOM 32817 H2 TIP3 6200 83.512 77.920 -15.370 1.00 0.00 WT2 H ATOM 32818 OH2 TIP3 6201 32.726 58.372 46.515 1.00 0.00 WT2 O ATOM 32819 H1 TIP3 6201 33.152 57.614 46.915 1.00 0.00 WT2 H ATOM 32820 H2 TIP3 6201 33.215 58.522 45.705 1.00 0.00 WT2 H ATOM 32821 OH2 TIP3 6215 20.846 79.599 32.174 1.00 0.00 WT2 O ATOM 32822 H1 TIP3 6215 20.445 78.825 31.777 1.00 0.00 WT2 H ATOM 32823 H2 TIP3 6215 21.173 80.107 31.432 1.00 0.00 WT2 H ATOM 32824 OH2 TIP3 6216 62.264 84.741 9.345 1.00 0.00 WT2 O ATOM 32825 H1 TIP3 6216 61.333 84.518 9.350 1.00 0.00 WT2 H ATOM 32826 H2 TIP3 6216 62.706 83.933 9.604 1.00 0.00 WT2 H ATOM 32827 OH2 TIP3 6218 78.228 28.873 57.442 1.00 0.00 WT2 O ATOM 32828 H1 TIP3 6218 79.127 28.753 57.137 1.00 0.00 WT2 H ATOM 32829 H2 TIP3 6218 78.096 28.172 58.080 1.00 0.00 WT2 H ATOM 32830 OH2 TIP3 6219 78.657 16.222 51.957 1.00 0.00 WT2 O ATOM 32831 H1 TIP3 6219 77.913 16.822 52.000 1.00 0.00 WT2 H ATOM 32832 H2 TIP3 6219 79.057 16.396 51.104 1.00 0.00 WT2 H ATOM 32833 OH2 TIP3 6220 63.022 71.671 -12.457 1.00 0.00 WT2 O ATOM 32834 H1 TIP3 6220 63.003 70.943 -11.836 1.00 0.00 WT2 H ATOM 32835 H2 TIP3 6220 62.370 72.288 -12.124 1.00 0.00 WT2 H ATOM 32836 OH2 TIP3 6221 29.992 12.583 5.414 1.00 0.00 WT2 O ATOM 32837 H1 TIP3 6221 30.481 12.372 6.209 1.00 0.00 WT2 H ATOM 32838 H2 TIP3 6221 29.955 11.759 4.928 1.00 0.00 WT2 H ATOM 32839 OH2 TIP3 6225 40.732 6.459 64.682 1.00 0.00 WT2 O ATOM 32840 H1 TIP3 6225 41.143 6.192 63.860 1.00 0.00 WT2 H ATOM 32841 H2 TIP3 6225 41.183 7.268 64.924 1.00 0.00 WT2 H ATOM 32842 OH2 TIP3 6238 51.084 73.402 1.366 1.00 0.00 WT2 O ATOM 32843 H1 TIP3 6238 50.714 74.209 1.724 1.00 0.00 WT2 H ATOM 32844 H2 TIP3 6238 51.848 73.225 1.915 1.00 0.00 WT2 H ATOM 32845 OH2 TIP3 6240 51.988 85.199 -11.103 1.00 0.00 WT2 O ATOM 32846 H1 TIP3 6240 52.722 84.843 -11.604 1.00 0.00 WT2 H ATOM 32847 H2 TIP3 6240 51.330 85.418 -11.763 1.00 0.00 WT2 H ATOM 32848 OH2 TIP3 6241 33.415 84.436 63.032 1.00 0.00 WT2 O ATOM 32849 H1 TIP3 6241 33.318 83.935 63.841 1.00 0.00 WT2 H ATOM 32850 H2 TIP3 6241 32.565 84.360 62.599 1.00 0.00 WT2 H ATOM 32851 OH2 TIP3 6242 87.377 61.105 -0.133 1.00 0.00 WT2 O ATOM 32852 H1 TIP3 6242 87.020 60.266 -0.423 1.00 0.00 WT2 H ATOM 32853 H2 TIP3 6242 88.149 60.873 0.383 1.00 0.00 WT2 H ATOM 32854 OH2 TIP3 6243 29.676 14.491 58.060 1.00 0.00 WT2 O ATOM 32855 H1 TIP3 6243 30.383 14.479 58.705 1.00 0.00 WT2 H ATOM 32856 H2 TIP3 6243 29.869 15.248 57.507 1.00 0.00 WT2 H ATOM 32857 OH2 TIP3 6245 24.294 82.283 -8.155 1.00 0.00 WT2 O ATOM 32858 H1 TIP3 6245 24.481 83.181 -8.428 1.00 0.00 WT2 H ATOM 32859 H2 TIP3 6245 24.987 81.760 -8.558 1.00 0.00 WT2 H ATOM 32860 OH2 TIP3 6246 81.572 76.307 38.778 1.00 0.00 WT2 O ATOM 32861 H1 TIP3 6246 81.706 76.076 39.697 1.00 0.00 WT2 H ATOM 32862 H2 TIP3 6246 80.687 76.001 38.580 1.00 0.00 WT2 H ATOM 32863 OH2 TIP3 6256 27.677 59.114 -3.608 1.00 0.00 WT2 O ATOM 32864 H1 TIP3 6256 27.855 59.746 -2.911 1.00 0.00 WT2 H ATOM 32865 H2 TIP3 6256 28.455 59.147 -4.165 1.00 0.00 WT2 H ATOM 32866 OH2 TIP3 6258 47.935 59.523 -16.447 1.00 0.00 WT2 O ATOM 32867 H1 TIP3 6258 48.779 59.794 -16.806 1.00 0.00 WT2 H ATOM 32868 H2 TIP3 6258 47.762 60.149 -15.743 1.00 0.00 WT2 H ATOM 32869 OH2 TIP3 6259 65.550 96.649 49.719 1.00 0.00 WT2 O ATOM 32870 H1 TIP3 6259 64.799 96.134 49.424 1.00 0.00 WT2 H ATOM 32871 H2 TIP3 6259 66.311 96.115 49.491 1.00 0.00 WT2 H ATOM 32872 OH2 TIP3 6261 90.367 20.545 63.906 1.00 0.00 WT2 O ATOM 32873 H1 TIP3 6261 90.156 20.797 64.804 1.00 0.00 WT2 H ATOM 32874 H2 TIP3 6261 89.820 19.778 63.736 1.00 0.00 WT2 H ATOM 32875 OH2 TIP3 6263 36.758 44.227 54.719 1.00 0.00 WT2 O ATOM 32876 H1 TIP3 6263 36.867 44.178 53.769 1.00 0.00 WT2 H ATOM 32877 H2 TIP3 6263 36.845 43.322 55.018 1.00 0.00 WT2 H ATOM 32878 OH2 TIP3 6264 64.230 58.848 21.940 1.00 0.00 WT2 O ATOM 32879 H1 TIP3 6264 63.693 59.390 22.519 1.00 0.00 WT2 H ATOM 32880 H2 TIP3 6264 63.600 58.299 21.473 1.00 0.00 WT2 H ATOM 32881 OH2 TIP3 6269 37.033 41.987 50.050 1.00 0.00 WT2 O ATOM 32882 H1 TIP3 6269 37.817 42.130 49.520 1.00 0.00 WT2 H ATOM 32883 H2 TIP3 6269 37.026 41.045 50.219 1.00 0.00 WT2 H ATOM 32884 OH2 TIP3 6281 38.511 90.533 55.452 1.00 0.00 WT2 O ATOM 32885 H1 TIP3 6281 39.463 90.628 55.434 1.00 0.00 WT2 H ATOM 32886 H2 TIP3 6281 38.227 91.100 56.169 1.00 0.00 WT2 H ATOM 32887 OH2 TIP3 6283 59.550 66.607 50.752 1.00 0.00 WT2 O ATOM 32888 H1 TIP3 6283 59.273 65.723 50.991 1.00 0.00 WT2 H ATOM 32889 H2 TIP3 6283 59.042 66.813 49.967 1.00 0.00 WT2 H ATOM 32890 OH2 TIP3 6284 64.821 70.088 43.482 1.00 0.00 WT2 O ATOM 32891 H1 TIP3 6284 63.902 70.345 43.404 1.00 0.00 WT2 H ATOM 32892 H2 TIP3 6284 65.267 70.580 42.792 1.00 0.00 WT2 H ATOM 32893 OH2 TIP3 6285 61.634 39.502 63.793 1.00 0.00 WT2 O ATOM 32894 H1 TIP3 6285 61.633 39.797 64.703 1.00 0.00 WT2 H ATOM 32895 H2 TIP3 6285 62.509 39.138 63.659 1.00 0.00 WT2 H ATOM 32896 OH2 TIP3 6286 64.016 81.677 6.245 1.00 0.00 WT2 O ATOM 32897 H1 TIP3 6286 64.855 81.626 5.787 1.00 0.00 WT2 H ATOM 32898 H2 TIP3 6286 63.588 82.450 5.877 1.00 0.00 WT2 H ATOM 32899 OH2 TIP3 6288 42.300 47.644 -9.247 1.00 0.00 WT2 O ATOM 32900 H1 TIP3 6288 43.148 47.542 -9.679 1.00 0.00 WT2 H ATOM 32901 H2 TIP3 6288 42.513 47.993 -8.381 1.00 0.00 WT2 H ATOM 32902 OH2 TIP3 6297 89.768 35.159 51.430 1.00 0.00 WT2 O ATOM 32903 H1 TIP3 6297 89.752 35.834 52.109 1.00 0.00 WT2 H ATOM 32904 H2 TIP3 6297 89.130 35.456 50.782 1.00 0.00 WT2 H ATOM 32905 OH2 TIP3 6300 38.281 15.097 33.361 1.00 0.00 WT2 O ATOM 32906 H1 TIP3 6300 37.809 15.340 34.157 1.00 0.00 WT2 H ATOM 32907 H2 TIP3 6300 38.805 15.869 33.148 1.00 0.00 WT2 H ATOM 32908 OH2 TIP3 6302 80.789 57.864 32.581 1.00 0.00 WT2 O ATOM 32909 H1 TIP3 6302 80.665 57.757 31.637 1.00 0.00 WT2 H ATOM 32910 H2 TIP3 6302 81.303 57.100 32.842 1.00 0.00 WT2 H ATOM 32911 OH2 TIP3 6303 63.614 5.548 18.832 1.00 0.00 WT2 O ATOM 32912 H1 TIP3 6303 63.866 6.389 18.452 1.00 0.00 WT2 H ATOM 32913 H2 TIP3 6303 63.093 5.780 19.602 1.00 0.00 WT2 H ATOM 32914 OH2 TIP3 6305 30.630 15.780 27.738 1.00 0.00 WT2 O ATOM 32915 H1 TIP3 6305 31.290 16.152 27.154 1.00 0.00 WT2 H ATOM 32916 H2 TIP3 6305 31.127 15.472 28.497 1.00 0.00 WT2 H ATOM 32917 OH2 TIP3 6309 78.421 23.802 -13.490 1.00 0.00 WT2 O ATOM 32918 H1 TIP3 6309 79.214 24.239 -13.801 1.00 0.00 WT2 H ATOM 32919 H2 TIP3 6309 78.565 23.684 -12.551 1.00 0.00 WT2 H ATOM 32920 OH2 TIP3 6311 57.758 21.218 16.805 1.00 0.00 WT2 O ATOM 32921 H1 TIP3 6311 57.681 22.118 17.120 1.00 0.00 WT2 H ATOM 32922 H2 TIP3 6311 56.929 21.047 16.359 1.00 0.00 WT2 H ATOM 32923 OH2 TIP3 6319 72.830 67.114 63.401 1.00 0.00 WT2 O ATOM 32924 H1 TIP3 6319 72.694 66.849 64.311 1.00 0.00 WT2 H ATOM 32925 H2 TIP3 6319 72.098 67.699 63.209 1.00 0.00 WT2 H ATOM 32926 OH2 TIP3 6321 25.614 68.932 64.752 1.00 0.00 WT2 O ATOM 32927 H1 TIP3 6321 26.131 69.505 64.187 1.00 0.00 WT2 H ATOM 32928 H2 TIP3 6321 25.188 68.321 64.151 1.00 0.00 WT2 H ATOM 32929 OH2 TIP3 6322 81.589 63.793 -6.344 1.00 0.00 WT2 O ATOM 32930 H1 TIP3 6322 81.791 63.709 -7.276 1.00 0.00 WT2 H ATOM 32931 H2 TIP3 6322 82.352 63.422 -5.900 1.00 0.00 WT2 H ATOM 32932 OH2 TIP3 6323 52.296 94.908 54.824 1.00 0.00 WT2 O ATOM 32933 H1 TIP3 6323 51.800 94.345 54.230 1.00 0.00 WT2 H ATOM 32934 H2 TIP3 6323 52.048 94.610 55.700 1.00 0.00 WT2 H ATOM 32935 OH2 TIP3 6324 46.451 23.371 66.210 1.00 0.00 WT2 O ATOM 32936 H1 TIP3 6324 45.791 22.810 65.804 1.00 0.00 WT2 H ATOM 32937 H2 TIP3 6324 46.140 24.262 66.050 1.00 0.00 WT2 H ATOM 32938 OH2 TIP3 6325 29.275 17.844 37.563 1.00 0.00 WT2 O ATOM 32939 H1 TIP3 6325 29.749 18.173 38.327 1.00 0.00 WT2 H ATOM 32940 H2 TIP3 6325 29.877 17.220 37.158 1.00 0.00 WT2 H ATOM 32941 OH2 TIP3 6326 21.174 64.128 37.213 1.00 0.00 WT2 O ATOM 32942 H1 TIP3 6326 21.104 64.894 37.782 1.00 0.00 WT2 H ATOM 32943 H2 TIP3 6326 22.107 64.068 37.005 1.00 0.00 WT2 H ATOM 32944 OH2 TIP3 6328 77.782 90.084 12.870 1.00 0.00 WT2 O ATOM 32945 H1 TIP3 6328 77.912 89.752 13.759 1.00 0.00 WT2 H ATOM 32946 H2 TIP3 6328 78.492 89.692 12.362 1.00 0.00 WT2 H ATOM 32947 OH2 TIP3 6329 58.436 19.033 -5.527 1.00 0.00 WT2 O ATOM 32948 H1 TIP3 6329 59.021 18.445 -5.049 1.00 0.00 WT2 H ATOM 32949 H2 TIP3 6329 58.530 19.876 -5.085 1.00 0.00 WT2 H ATOM 32950 OH2 TIP3 6341 37.670 63.825 60.575 1.00 0.00 WT2 O ATOM 32951 H1 TIP3 6341 38.414 64.427 60.606 1.00 0.00 WT2 H ATOM 32952 H2 TIP3 6341 37.994 63.067 60.090 1.00 0.00 WT2 H ATOM 32953 OH2 TIP3 6345 41.112 7.250 31.291 1.00 0.00 WT2 O ATOM 32954 H1 TIP3 6345 40.558 8.009 31.475 1.00 0.00 WT2 H ATOM 32955 H2 TIP3 6345 40.886 6.999 30.395 1.00 0.00 WT2 H ATOM 32956 OH2 TIP3 6347 51.713 26.882 44.098 1.00 0.00 WT2 O ATOM 32957 H1 TIP3 6347 51.100 26.831 43.365 1.00 0.00 WT2 H ATOM 32958 H2 TIP3 6347 52.514 27.241 43.717 1.00 0.00 WT2 H ATOM 32959 OH2 TIP3 6348 25.770 20.136 -11.918 1.00 0.00 WT2 O ATOM 32960 H1 TIP3 6348 25.055 19.713 -12.394 1.00 0.00 WT2 H ATOM 32961 H2 TIP3 6348 26.165 20.729 -12.556 1.00 0.00 WT2 H ATOM 32962 OH2 TIP3 6353 70.743 26.285 54.409 1.00 0.00 WT2 O ATOM 32963 H1 TIP3 6353 71.077 25.396 54.526 1.00 0.00 WT2 H ATOM 32964 H2 TIP3 6353 71.102 26.568 53.568 1.00 0.00 WT2 H ATOM 32965 OH2 TIP3 6357 68.968 90.272 1.021 1.00 0.00 WT2 O ATOM 32966 H1 TIP3 6357 68.162 90.411 1.519 1.00 0.00 WT2 H ATOM 32967 H2 TIP3 6357 68.672 90.100 0.127 1.00 0.00 WT2 H ATOM 32968 OH2 TIP3 6364 34.064 86.569 -16.899 1.00 0.00 WT2 O ATOM 32969 H1 TIP3 6364 33.618 87.206 -17.458 1.00 0.00 WT2 H ATOM 32970 H2 TIP3 6364 34.958 86.901 -16.824 1.00 0.00 WT2 H ATOM 32971 OH2 TIP3 6366 55.319 83.169 52.461 1.00 0.00 WT2 O ATOM 32972 H1 TIP3 6366 54.888 83.597 51.721 1.00 0.00 WT2 H ATOM 32973 H2 TIP3 6366 54.789 83.412 53.220 1.00 0.00 WT2 H ATOM 32974 OH2 TIP3 6368 23.168 35.392 11.142 1.00 0.00 WT2 O ATOM 32975 H1 TIP3 6368 22.335 35.792 11.394 1.00 0.00 WT2 H ATOM 32976 H2 TIP3 6368 23.782 36.124 11.098 1.00 0.00 WT2 H ATOM 32977 OH2 TIP3 6369 77.465 68.350 -9.710 1.00 0.00 WT2 O ATOM 32978 H1 TIP3 6369 77.897 69.164 -9.449 1.00 0.00 WT2 H ATOM 32979 H2 TIP3 6369 76.806 68.200 -9.033 1.00 0.00 WT2 H ATOM 32980 OH2 TIP3 6381 73.763 87.848 35.798 1.00 0.00 WT2 O ATOM 32981 H1 TIP3 6381 73.026 88.283 36.228 1.00 0.00 WT2 H ATOM 32982 H2 TIP3 6381 73.653 88.051 34.869 1.00 0.00 WT2 H ATOM 32983 OH2 TIP3 6385 60.193 17.204 -11.764 1.00 0.00 WT2 O ATOM 32984 H1 TIP3 6385 61.121 16.978 -11.702 1.00 0.00 WT2 H ATOM 32985 H2 TIP3 6385 60.170 18.155 -11.653 1.00 0.00 WT2 H ATOM 32986 OH2 TIP3 6388 46.551 39.738 49.389 1.00 0.00 WT2 O ATOM 32987 H1 TIP3 6388 45.694 39.548 49.010 1.00 0.00 WT2 H ATOM 32988 H2 TIP3 6388 46.404 39.728 50.335 1.00 0.00 WT2 H ATOM 32989 OH2 TIP3 6389 47.255 51.008 47.257 1.00 0.00 WT2 O ATOM 32990 H1 TIP3 6389 47.995 51.373 47.743 1.00 0.00 WT2 H ATOM 32991 H2 TIP3 6389 47.388 51.306 46.357 1.00 0.00 WT2 H ATOM 32992 OH2 TIP3 6390 21.442 74.085 55.868 1.00 0.00 WT2 O ATOM 32993 H1 TIP3 6390 21.864 73.340 55.440 1.00 0.00 WT2 H ATOM 32994 H2 TIP3 6390 22.109 74.771 55.869 1.00 0.00 WT2 H ATOM 32995 OH2 TIP3 6403 55.791 84.281 0.611 1.00 0.00 WT2 O ATOM 32996 H1 TIP3 6403 55.739 84.714 1.463 1.00 0.00 WT2 H ATOM 32997 H2 TIP3 6403 55.127 83.593 0.650 1.00 0.00 WT2 H ATOM 32998 OH2 TIP3 6404 24.415 86.035 -4.797 1.00 0.00 WT2 O ATOM 32999 H1 TIP3 6404 25.310 85.879 -5.099 1.00 0.00 WT2 H ATOM 33000 H2 TIP3 6404 24.156 86.851 -5.225 1.00 0.00 WT2 H ATOM 33001 OH2 TIP3 6407 31.065 14.891 47.092 1.00 0.00 WT2 O ATOM 33002 H1 TIP3 6407 30.401 14.639 47.733 1.00 0.00 WT2 H ATOM 33003 H2 TIP3 6407 31.725 15.361 47.601 1.00 0.00 WT2 H ATOM 33004 OH2 TIP3 6408 33.516 60.745 52.317 1.00 0.00 WT2 O ATOM 33005 H1 TIP3 6408 34.442 60.827 52.088 1.00 0.00 WT2 H ATOM 33006 H2 TIP3 6408 33.050 61.111 51.566 1.00 0.00 WT2 H ATOM 33007 OH2 TIP3 6409 51.402 88.555 63.042 1.00 0.00 WT2 O ATOM 33008 H1 TIP3 6409 51.644 87.886 62.401 1.00 0.00 WT2 H ATOM 33009 H2 TIP3 6409 51.394 89.373 62.544 1.00 0.00 WT2 H ATOM 33010 OH2 TIP3 6410 49.279 9.688 40.776 1.00 0.00 WT2 O ATOM 33011 H1 TIP3 6410 49.768 9.032 40.280 1.00 0.00 WT2 H ATOM 33012 H2 TIP3 6410 49.779 9.799 41.585 1.00 0.00 WT2 H ATOM 33013 OH2 TIP3 6412 21.461 35.966 -19.898 1.00 0.00 WT2 O ATOM 33014 H1 TIP3 6412 20.977 36.789 -19.961 1.00 0.00 WT2 H ATOM 33015 H2 TIP3 6412 21.874 35.996 -19.034 1.00 0.00 WT2 H ATOM 33016 OH2 TIP3 6413 41.166 25.531 -13.764 1.00 0.00 WT2 O ATOM 33017 H1 TIP3 6413 41.822 24.908 -13.451 1.00 0.00 WT2 H ATOM 33018 H2 TIP3 6413 41.200 26.252 -13.135 1.00 0.00 WT2 H ATOM 33019 OH2 TIP3 6417 49.975 18.544 -19.335 1.00 0.00 WT2 O ATOM 33020 H1 TIP3 6417 50.478 18.807 -20.107 1.00 0.00 WT2 H ATOM 33021 H2 TIP3 6417 50.630 18.195 -18.730 1.00 0.00 WT2 H ATOM 33022 OH2 TIP3 6425 44.500 3.561 31.602 1.00 0.00 WT2 O ATOM 33023 H1 TIP3 6425 45.332 3.150 31.838 1.00 0.00 WT2 H ATOM 33024 H2 TIP3 6425 44.653 4.498 31.723 1.00 0.00 WT2 H ATOM 33025 OH2 TIP3 6428 31.013 64.301 -0.358 1.00 0.00 WT2 O ATOM 33026 H1 TIP3 6428 30.198 63.900 -0.662 1.00 0.00 WT2 H ATOM 33027 H2 TIP3 6428 31.494 63.584 0.054 1.00 0.00 WT2 H ATOM 33028 OH2 TIP3 6429 78.434 31.537 39.693 1.00 0.00 WT2 O ATOM 33029 H1 TIP3 6429 79.117 32.050 39.263 1.00 0.00 WT2 H ATOM 33030 H2 TIP3 6429 78.889 30.765 40.030 1.00 0.00 WT2 H ATOM 33031 OH2 TIP3 6430 59.491 30.830 45.439 1.00 0.00 WT2 O ATOM 33032 H1 TIP3 6430 58.680 31.084 44.998 1.00 0.00 WT2 H ATOM 33033 H2 TIP3 6430 59.543 29.882 45.317 1.00 0.00 WT2 H ATOM 33034 OH2 TIP3 6431 83.017 88.786 8.077 1.00 0.00 WT2 O ATOM 33035 H1 TIP3 6431 82.509 88.601 8.866 1.00 0.00 WT2 H ATOM 33036 H2 TIP3 6431 83.887 89.019 8.401 1.00 0.00 WT2 H ATOM 33037 OH2 TIP3 6433 25.883 89.140 16.078 1.00 0.00 WT2 O ATOM 33038 H1 TIP3 6433 25.042 88.686 16.143 1.00 0.00 WT2 H ATOM 33039 H2 TIP3 6433 26.534 88.438 16.072 1.00 0.00 WT2 H ATOM 33040 OH2 TIP3 6436 27.529 35.089 21.902 1.00 0.00 WT2 O ATOM 33041 H1 TIP3 6436 27.640 35.957 22.291 1.00 0.00 WT2 H ATOM 33042 H2 TIP3 6436 28.105 35.094 21.138 1.00 0.00 WT2 H ATOM 33043 OH2 TIP3 6444 61.242 21.108 33.254 1.00 0.00 WT2 O ATOM 33044 H1 TIP3 6444 61.154 20.788 32.356 1.00 0.00 WT2 H ATOM 33045 H2 TIP3 6444 61.923 20.557 33.639 1.00 0.00 WT2 H ATOM 33046 OH2 TIP3 6446 21.542 59.678 33.192 1.00 0.00 WT2 O ATOM 33047 H1 TIP3 6446 22.079 59.939 32.444 1.00 0.00 WT2 H ATOM 33048 H2 TIP3 6446 21.230 60.503 33.563 1.00 0.00 WT2 H ATOM 33049 OH2 TIP3 6450 70.540 63.355 54.601 1.00 0.00 WT2 O ATOM 33050 H1 TIP3 6450 69.606 63.424 54.798 1.00 0.00 WT2 H ATOM 33051 H2 TIP3 6450 70.581 62.806 53.818 1.00 0.00 WT2 H ATOM 33052 OH2 TIP3 6452 70.418 90.608 39.809 1.00 0.00 WT2 O ATOM 33053 H1 TIP3 6452 70.081 90.466 38.924 1.00 0.00 WT2 H ATOM 33054 H2 TIP3 6452 69.680 90.401 40.382 1.00 0.00 WT2 H ATOM 33055 OH2 TIP3 6454 78.543 86.895 43.440 1.00 0.00 WT2 O ATOM 33056 H1 TIP3 6454 78.821 87.788 43.644 1.00 0.00 WT2 H ATOM 33057 H2 TIP3 6454 77.613 86.975 43.229 1.00 0.00 WT2 H ATOM 33058 OH2 TIP3 6455 26.441 10.494 36.676 1.00 0.00 WT2 O ATOM 33059 H1 TIP3 6455 25.895 11.270 36.805 1.00 0.00 WT2 H ATOM 33060 H2 TIP3 6455 26.117 9.863 37.319 1.00 0.00 WT2 H ATOM 33061 OH2 TIP3 6469 90.356 60.997 16.519 1.00 0.00 WT2 O ATOM 33062 H1 TIP3 6469 90.272 60.099 16.837 1.00 0.00 WT2 H ATOM 33063 H2 TIP3 6469 91.227 61.273 16.804 1.00 0.00 WT2 H ATOM 33064 OH2 TIP3 6470 67.971 10.060 -16.940 1.00 0.00 WT2 O ATOM 33065 H1 TIP3 6470 67.298 9.454 -16.631 1.00 0.00 WT2 H ATOM 33066 H2 TIP3 6470 68.148 10.626 -16.189 1.00 0.00 WT2 H ATOM 33067 OH2 TIP3 6471 39.576 55.951 40.835 1.00 0.00 WT2 O ATOM 33068 H1 TIP3 6471 39.206 56.827 40.723 1.00 0.00 WT2 H ATOM 33069 H2 TIP3 6471 40.494 56.043 40.578 1.00 0.00 WT2 H ATOM 33070 OH2 TIP3 6472 49.762 41.763 48.598 1.00 0.00 WT2 O ATOM 33071 H1 TIP3 6472 50.174 42.585 48.331 1.00 0.00 WT2 H ATOM 33072 H2 TIP3 6472 49.510 41.907 49.511 1.00 0.00 WT2 H ATOM 33073 OH2 TIP3 6473 66.544 20.350 42.576 1.00 0.00 WT2 O ATOM 33074 H1 TIP3 6473 66.313 21.255 42.364 1.00 0.00 WT2 H ATOM 33075 H2 TIP3 6473 67.492 20.367 42.702 1.00 0.00 WT2 H ATOM 33076 OH2 TIP3 6474 39.894 84.382 66.959 1.00 0.00 WT2 O ATOM 33077 H1 TIP3 6474 40.330 84.060 66.170 1.00 0.00 WT2 H ATOM 33078 H2 TIP3 6474 39.433 83.619 67.307 1.00 0.00 WT2 H ATOM 33079 OH2 TIP3 6475 60.407 56.519 -2.711 1.00 0.00 WT2 O ATOM 33080 H1 TIP3 6475 60.374 57.469 -2.820 1.00 0.00 WT2 H ATOM 33081 H2 TIP3 6475 59.896 56.350 -1.919 1.00 0.00 WT2 H ATOM 33082 OH2 TIP3 6476 70.752 58.507 4.889 1.00 0.00 WT2 O ATOM 33083 H1 TIP3 6476 71.315 59.245 5.121 1.00 0.00 WT2 H ATOM 33084 H2 TIP3 6476 69.980 58.609 5.445 1.00 0.00 WT2 H ATOM 33085 OH2 TIP3 6490 83.034 75.131 60.987 1.00 0.00 WT2 O ATOM 33086 H1 TIP3 6490 83.829 75.607 60.746 1.00 0.00 WT2 H ATOM 33087 H2 TIP3 6490 83.304 74.213 61.018 1.00 0.00 WT2 H ATOM 33088 OH2 TIP3 6491 64.506 31.214 46.863 1.00 0.00 WT2 O ATOM 33089 H1 TIP3 6491 63.749 31.414 47.413 1.00 0.00 WT2 H ATOM 33090 H2 TIP3 6491 64.295 31.602 46.014 1.00 0.00 WT2 H ATOM 33091 OH2 TIP3 6492 82.146 42.553 19.550 1.00 0.00 WT2 O ATOM 33092 H1 TIP3 6492 82.452 43.403 19.233 1.00 0.00 WT2 H ATOM 33093 H2 TIP3 6492 82.788 42.299 20.213 1.00 0.00 WT2 H ATOM 33094 OH2 TIP3 6493 29.820 57.708 32.635 1.00 0.00 WT2 O ATOM 33095 H1 TIP3 6493 30.431 58.010 31.963 1.00 0.00 WT2 H ATOM 33096 H2 TIP3 6493 29.679 56.783 32.434 1.00 0.00 WT2 H ATOM 33097 OH2 TIP3 6497 58.449 36.509 5.121 1.00 0.00 WT2 O ATOM 33098 H1 TIP3 6497 58.214 35.866 5.789 1.00 0.00 WT2 H ATOM 33099 H2 TIP3 6497 57.907 37.272 5.320 1.00 0.00 WT2 H ATOM 33100 OH2 TIP3 6499 60.999 48.941 -6.480 1.00 0.00 WT2 O ATOM 33101 H1 TIP3 6499 60.173 48.609 -6.831 1.00 0.00 WT2 H ATOM 33102 H2 TIP3 6499 60.910 49.893 -6.515 1.00 0.00 WT2 H ATOM 33103 OH2 TIP3 6509 36.848 47.585 62.922 1.00 0.00 WT2 O ATOM 33104 H1 TIP3 6509 37.593 47.857 62.386 1.00 0.00 WT2 H ATOM 33105 H2 TIP3 6509 37.160 46.813 63.393 1.00 0.00 WT2 H ATOM 33106 OH2 TIP3 6512 27.736 56.674 -9.833 1.00 0.00 WT2 O ATOM 33107 H1 TIP3 6512 28.310 56.007 -9.455 1.00 0.00 WT2 H ATOM 33108 H2 TIP3 6512 26.865 56.457 -9.501 1.00 0.00 WT2 H ATOM 33109 OH2 TIP3 6513 68.492 52.243 53.312 1.00 0.00 WT2 O ATOM 33110 H1 TIP3 6513 68.912 51.965 52.498 1.00 0.00 WT2 H ATOM 33111 H2 TIP3 6513 68.544 53.199 53.294 1.00 0.00 WT2 H ATOM 33112 OH2 TIP3 6514 45.823 57.915 44.637 1.00 0.00 WT2 O ATOM 33113 H1 TIP3 6514 45.830 57.351 43.864 1.00 0.00 WT2 H ATOM 33114 H2 TIP3 6514 45.491 58.754 44.319 1.00 0.00 WT2 H ATOM 33115 OH2 TIP3 6515 41.756 36.064 67.022 1.00 0.00 WT2 O ATOM 33116 H1 TIP3 6515 42.387 35.795 66.354 1.00 0.00 WT2 H ATOM 33117 H2 TIP3 6515 41.801 35.374 67.685 1.00 0.00 WT2 H ATOM 33118 OH2 TIP3 6516 59.185 56.341 59.562 1.00 0.00 WT2 O ATOM 33119 H1 TIP3 6516 59.656 56.640 58.784 1.00 0.00 WT2 H ATOM 33120 H2 TIP3 6516 59.405 55.412 59.634 1.00 0.00 WT2 H ATOM 33121 OH2 TIP3 6519 23.950 65.580 32.977 1.00 0.00 WT2 O ATOM 33122 H1 TIP3 6519 24.714 66.069 32.672 1.00 0.00 WT2 H ATOM 33123 H2 TIP3 6519 23.435 65.420 32.187 1.00 0.00 WT2 H ATOM 33124 OH2 TIP3 6528 34.529 42.969 10.590 1.00 0.00 WT2 O ATOM 33125 H1 TIP3 6528 33.641 42.957 10.232 1.00 0.00 WT2 H ATOM 33126 H2 TIP3 6528 34.797 43.886 10.535 1.00 0.00 WT2 H ATOM 33127 OH2 TIP3 6534 31.835 80.562 -19.229 1.00 0.00 WT2 O ATOM 33128 H1 TIP3 6534 31.416 81.030 -18.507 1.00 0.00 WT2 H ATOM 33129 H2 TIP3 6534 31.289 79.788 -19.363 1.00 0.00 WT2 H ATOM 33130 OH2 TIP3 6535 52.073 25.581 -6.729 1.00 0.00 WT2 O ATOM 33131 H1 TIP3 6535 52.189 26.516 -6.900 1.00 0.00 WT2 H ATOM 33132 H2 TIP3 6535 51.848 25.207 -7.580 1.00 0.00 WT2 H ATOM 33133 OH2 TIP3 6536 63.585 16.203 48.139 1.00 0.00 WT2 O ATOM 33134 H1 TIP3 6536 64.170 16.636 47.518 1.00 0.00 WT2 H ATOM 33135 H2 TIP3 6536 62.753 16.125 47.671 1.00 0.00 WT2 H ATOM 33136 OH2 TIP3 6537 47.470 -0.070 60.687 1.00 0.00 WT2 O ATOM 33137 H1 TIP3 6537 47.802 0.780 60.978 1.00 0.00 WT2 H ATOM 33138 H2 TIP3 6537 46.792 -0.294 61.325 1.00 0.00 WT2 H ATOM 33139 OH2 TIP3 6538 77.048 61.435 13.183 1.00 0.00 WT2 O ATOM 33140 H1 TIP3 6538 76.313 61.952 12.851 1.00 0.00 WT2 H ATOM 33141 H2 TIP3 6538 76.685 60.950 13.923 1.00 0.00 WT2 H ATOM 33142 OH2 TIP3 6549 48.264 48.046 62.938 1.00 0.00 WT2 O ATOM 33143 H1 TIP3 6549 47.573 47.492 62.575 1.00 0.00 WT2 H ATOM 33144 H2 TIP3 6549 48.880 47.431 63.338 1.00 0.00 WT2 H ATOM 33145 OH2 TIP3 6551 22.901 26.774 -6.964 1.00 0.00 WT2 O ATOM 33146 H1 TIP3 6551 22.623 26.113 -7.598 1.00 0.00 WT2 H ATOM 33147 H2 TIP3 6551 23.444 27.378 -7.470 1.00 0.00 WT2 H ATOM 33148 OH2 TIP3 6552 22.814 79.362 -8.320 1.00 0.00 WT2 O ATOM 33149 H1 TIP3 6552 23.376 79.364 -9.095 1.00 0.00 WT2 H ATOM 33150 H2 TIP3 6552 22.921 80.235 -7.943 1.00 0.00 WT2 H ATOM 33151 OH2 TIP3 6555 81.987 95.870 46.817 1.00 0.00 WT2 O ATOM 33152 H1 TIP3 6555 82.510 95.290 47.371 1.00 0.00 WT2 H ATOM 33153 H2 TIP3 6555 82.253 96.752 47.075 1.00 0.00 WT2 H ATOM 33154 OH2 TIP3 6556 53.440 67.783 59.777 1.00 0.00 WT2 O ATOM 33155 H1 TIP3 6556 53.508 68.028 58.854 1.00 0.00 WT2 H ATOM 33156 H2 TIP3 6556 52.856 67.025 59.782 1.00 0.00 WT2 H ATOM 33157 OH2 TIP3 6559 25.006 45.433 17.266 1.00 0.00 WT2 O ATOM 33158 H1 TIP3 6559 25.914 45.519 17.557 1.00 0.00 WT2 H ATOM 33159 H2 TIP3 6559 24.563 46.197 17.635 1.00 0.00 WT2 H ATOM 33160 OH2 TIP3 6560 54.520 18.083 34.355 1.00 0.00 WT2 O ATOM 33161 H1 TIP3 6560 53.909 17.383 34.583 1.00 0.00 WT2 H ATOM 33162 H2 TIP3 6560 54.910 17.801 33.528 1.00 0.00 WT2 H ATOM 33163 OH2 TIP3 6575 72.782 88.792 -12.319 1.00 0.00 WT2 O ATOM 33164 H1 TIP3 6575 73.670 89.125 -12.191 1.00 0.00 WT2 H ATOM 33165 H2 TIP3 6575 72.900 87.966 -12.789 1.00 0.00 WT2 H ATOM 33166 OH2 TIP3 6576 22.784 91.551 -5.842 1.00 0.00 WT2 O ATOM 33167 H1 TIP3 6576 23.723 91.545 -6.028 1.00 0.00 WT2 H ATOM 33168 H2 TIP3 6576 22.662 90.854 -5.198 1.00 0.00 WT2 H ATOM 33169 OH2 TIP3 6577 89.048 43.068 25.321 1.00 0.00 WT2 O ATOM 33170 H1 TIP3 6577 88.634 43.922 25.440 1.00 0.00 WT2 H ATOM 33171 H2 TIP3 6577 89.123 42.967 24.372 1.00 0.00 WT2 H ATOM 33172 OH2 TIP3 6579 23.599 0.704 41.080 1.00 0.00 WT2 O ATOM 33173 H1 TIP3 6579 23.184 0.048 41.640 1.00 0.00 WT2 H ATOM 33174 H2 TIP3 6579 23.347 1.543 41.465 1.00 0.00 WT2 H ATOM 33175 OH2 TIP3 6580 34.937 78.360 47.622 1.00 0.00 WT2 O ATOM 33176 H1 TIP3 6580 34.990 77.495 48.029 1.00 0.00 WT2 H ATOM 33177 H2 TIP3 6580 35.378 78.944 48.239 1.00 0.00 WT2 H ATOM 33178 OH2 TIP3 6595 85.136 34.578 25.761 1.00 0.00 WT2 O ATOM 33179 H1 TIP3 6595 84.659 35.059 25.084 1.00 0.00 WT2 H ATOM 33180 H2 TIP3 6595 86.034 34.904 25.699 1.00 0.00 WT2 H ATOM 33181 OH2 TIP3 6597 60.568 84.474 51.555 1.00 0.00 WT2 O ATOM 33182 H1 TIP3 6597 59.620 84.345 51.574 1.00 0.00 WT2 H ATOM 33183 H2 TIP3 6597 60.833 84.439 52.475 1.00 0.00 WT2 H ATOM 33184 OH2 TIP3 6598 71.732 62.181 37.008 1.00 0.00 WT2 O ATOM 33185 H1 TIP3 6598 71.742 63.018 37.474 1.00 0.00 WT2 H ATOM 33186 H2 TIP3 6598 71.329 62.382 36.163 1.00 0.00 WT2 H ATOM 33187 OH2 TIP3 6599 87.566 90.036 65.934 1.00 0.00 WT2 O ATOM 33188 H1 TIP3 6599 87.641 90.980 66.073 1.00 0.00 WT2 H ATOM 33189 H2 TIP3 6599 87.892 89.648 66.746 1.00 0.00 WT2 H ATOM 33190 OH2 TIP3 6600 75.540 74.072 6.854 1.00 0.00 WT2 O ATOM 33191 H1 TIP3 6600 75.152 73.270 7.204 1.00 0.00 WT2 H ATOM 33192 H2 TIP3 6600 75.828 73.835 5.973 1.00 0.00 WT2 H ATOM 33193 OH2 TIP3 6602 70.322 17.821 -9.540 1.00 0.00 WT2 O ATOM 33194 H1 TIP3 6602 70.527 18.146 -8.663 1.00 0.00 WT2 H ATOM 33195 H2 TIP3 6602 70.941 17.104 -9.681 1.00 0.00 WT2 H ATOM 33196 OH2 TIP3 6603 63.128 32.123 54.639 1.00 0.00 WT2 O ATOM 33197 H1 TIP3 6603 62.359 32.590 54.967 1.00 0.00 WT2 H ATOM 33198 H2 TIP3 6603 62.780 31.301 54.293 1.00 0.00 WT2 H ATOM 33199 OH2 TIP3 6615 73.587 34.733 10.478 1.00 0.00 WT2 O ATOM 33200 H1 TIP3 6615 73.453 34.709 11.426 1.00 0.00 WT2 H ATOM 33201 H2 TIP3 6615 72.792 34.345 10.113 1.00 0.00 WT2 H ATOM 33202 OH2 TIP3 6616 64.009 93.663 -13.289 1.00 0.00 WT2 O ATOM 33203 H1 TIP3 6616 63.105 93.354 -13.229 1.00 0.00 WT2 H ATOM 33204 H2 TIP3 6616 64.291 93.414 -14.169 1.00 0.00 WT2 H ATOM 33205 OH2 TIP3 6618 44.697 90.864 32.522 1.00 0.00 WT2 O ATOM 33206 H1 TIP3 6618 44.542 89.929 32.660 1.00 0.00 WT2 H ATOM 33207 H2 TIP3 6618 43.925 91.167 32.045 1.00 0.00 WT2 H ATOM 33208 OH2 TIP3 6620 71.467 2.574 -13.043 1.00 0.00 WT2 O ATOM 33209 H1 TIP3 6620 70.987 3.370 -12.816 1.00 0.00 WT2 H ATOM 33210 H2 TIP3 6620 71.403 2.024 -12.263 1.00 0.00 WT2 H ATOM 33211 OH2 TIP3 6621 68.893 48.152 53.321 1.00 0.00 WT2 O ATOM 33212 H1 TIP3 6621 68.418 47.925 52.522 1.00 0.00 WT2 H ATOM 33213 H2 TIP3 6621 68.220 48.486 53.914 1.00 0.00 WT2 H ATOM 33214 OH2 TIP3 6623 39.383 26.504 28.471 1.00 0.00 WT2 O ATOM 33215 H1 TIP3 6623 40.009 27.223 28.552 1.00 0.00 WT2 H ATOM 33216 H2 TIP3 6623 39.258 26.398 27.528 1.00 0.00 WT2 H ATOM 33217 OH2 TIP3 6633 89.356 28.299 -17.044 1.00 0.00 WT2 O ATOM 33218 H1 TIP3 6633 88.419 28.435 -16.904 1.00 0.00 WT2 H ATOM 33219 H2 TIP3 6633 89.769 28.640 -16.251 1.00 0.00 WT2 H ATOM 33220 OH2 TIP3 6637 20.824 87.321 26.814 1.00 0.00 WT2 O ATOM 33221 H1 TIP3 6637 20.479 88.213 26.770 1.00 0.00 WT2 H ATOM 33222 H2 TIP3 6637 21.666 87.368 26.362 1.00 0.00 WT2 H ATOM 33223 OH2 TIP3 6638 53.275 27.484 53.279 1.00 0.00 WT2 O ATOM 33224 H1 TIP3 6638 53.330 28.437 53.208 1.00 0.00 WT2 H ATOM 33225 H2 TIP3 6638 52.951 27.199 52.425 1.00 0.00 WT2 H ATOM 33226 OH2 TIP3 6639 76.326 1.479 46.527 1.00 0.00 WT2 O ATOM 33227 H1 TIP3 6639 75.897 0.952 45.853 1.00 0.00 WT2 H ATOM 33228 H2 TIP3 6639 77.261 1.334 46.386 1.00 0.00 WT2 H ATOM 33229 OH2 TIP3 6640 21.515 10.284 -5.292 1.00 0.00 WT2 O ATOM 33230 H1 TIP3 6640 22.180 10.967 -5.204 1.00 0.00 WT2 H ATOM 33231 H2 TIP3 6640 21.791 9.778 -6.056 1.00 0.00 WT2 H ATOM 33232 OH2 TIP3 6641 38.958 25.958 25.765 1.00 0.00 WT2 O ATOM 33233 H1 TIP3 6641 39.123 26.832 25.410 1.00 0.00 WT2 H ATOM 33234 H2 TIP3 6641 39.035 25.374 25.011 1.00 0.00 WT2 H ATOM 33235 OH2 TIP3 6642 44.009 95.034 19.313 1.00 0.00 WT2 O ATOM 33236 H1 TIP3 6642 43.533 95.423 20.047 1.00 0.00 WT2 H ATOM 33237 H2 TIP3 6642 43.982 94.093 19.482 1.00 0.00 WT2 H ATOM 33238 OH2 TIP3 6645 63.215 33.960 15.420 1.00 0.00 WT2 O ATOM 33239 H1 TIP3 6645 62.731 34.779 15.523 1.00 0.00 WT2 H ATOM 33240 H2 TIP3 6645 62.660 33.300 15.836 1.00 0.00 WT2 H ATOM 33241 OH2 TIP3 6656 71.909 54.202 63.067 1.00 0.00 WT2 O ATOM 33242 H1 TIP3 6656 71.434 53.383 63.208 1.00 0.00 WT2 H ATOM 33243 H2 TIP3 6656 72.025 54.567 63.944 1.00 0.00 WT2 H ATOM 33244 OH2 TIP3 6659 79.801 41.726 53.233 1.00 0.00 WT2 O ATOM 33245 H1 TIP3 6659 79.017 41.341 53.623 1.00 0.00 WT2 H ATOM 33246 H2 TIP3 6659 80.512 41.143 53.499 1.00 0.00 WT2 H ATOM 33247 OH2 TIP3 6660 46.137 23.195 52.879 1.00 0.00 WT2 O ATOM 33248 H1 TIP3 6660 46.509 22.749 53.639 1.00 0.00 WT2 H ATOM 33249 H2 TIP3 6660 45.361 22.680 52.655 1.00 0.00 WT2 H ATOM 33250 OH2 TIP3 6661 59.356 37.792 42.529 1.00 0.00 WT2 O ATOM 33251 H1 TIP3 6661 58.598 38.084 42.022 1.00 0.00 WT2 H ATOM 33252 H2 TIP3 6661 59.417 36.854 42.350 1.00 0.00 WT2 H ATOM 33253 OH2 TIP3 6662 36.687 4.485 -5.067 1.00 0.00 WT2 O ATOM 33254 H1 TIP3 6662 36.293 3.903 -5.715 1.00 0.00 WT2 H ATOM 33255 H2 TIP3 6662 36.021 5.155 -4.909 1.00 0.00 WT2 H ATOM 33256 OH2 TIP3 6664 41.620 16.642 29.734 1.00 0.00 WT2 O ATOM 33257 H1 TIP3 6664 41.791 17.549 29.480 1.00 0.00 WT2 H ATOM 33258 H2 TIP3 6664 42.138 16.120 29.121 1.00 0.00 WT2 H ATOM 33259 OH2 TIP3 6671 25.602 79.998 -3.632 1.00 0.00 WT2 O ATOM 33260 H1 TIP3 6671 25.202 80.417 -4.394 1.00 0.00 WT2 H ATOM 33261 H2 TIP3 6671 26.090 79.259 -3.994 1.00 0.00 WT2 H ATOM 33262 OH2 TIP3 6679 30.051 25.329 24.340 1.00 0.00 WT2 O ATOM 33263 H1 TIP3 6679 29.265 25.309 23.794 1.00 0.00 WT2 H ATOM 33264 H2 TIP3 6679 30.777 25.280 23.718 1.00 0.00 WT2 H ATOM 33265 OH2 TIP3 6681 64.840 83.517 -13.514 1.00 0.00 WT2 O ATOM 33266 H1 TIP3 6681 64.355 83.015 -14.170 1.00 0.00 WT2 H ATOM 33267 H2 TIP3 6681 65.557 82.939 -13.252 1.00 0.00 WT2 H ATOM 33268 OH2 TIP3 6684 20.995 2.713 14.980 1.00 0.00 WT2 O ATOM 33269 H1 TIP3 6684 21.772 2.828 14.434 1.00 0.00 WT2 H ATOM 33270 H2 TIP3 6684 21.304 2.212 15.735 1.00 0.00 WT2 H ATOM 33271 OH2 TIP3 6686 57.013 9.932 66.214 1.00 0.00 WT2 O ATOM 33272 H1 TIP3 6686 56.696 10.826 66.344 1.00 0.00 WT2 H ATOM 33273 H2 TIP3 6686 57.210 9.880 65.279 1.00 0.00 WT2 H ATOM 33274 OH2 TIP3 6698 67.060 59.533 64.334 1.00 0.00 WT2 O ATOM 33275 H1 TIP3 6698 67.017 59.130 63.467 1.00 0.00 WT2 H ATOM 33276 H2 TIP3 6698 66.202 59.361 64.721 1.00 0.00 WT2 H ATOM 33277 OH2 TIP3 6700 47.220 55.825 57.256 1.00 0.00 WT2 O ATOM 33278 H1 TIP3 6700 48.055 55.701 56.804 1.00 0.00 WT2 H ATOM 33279 H2 TIP3 6700 46.638 56.186 56.587 1.00 0.00 WT2 H ATOM 33280 OH2 TIP3 6701 70.171 24.459 36.321 1.00 0.00 WT2 O ATOM 33281 H1 TIP3 6701 70.357 25.371 36.099 1.00 0.00 WT2 H ATOM 33282 H2 TIP3 6701 70.984 23.994 36.125 1.00 0.00 WT2 H ATOM 33283 OH2 TIP3 6703 26.895 52.988 -2.443 1.00 0.00 WT2 O ATOM 33284 H1 TIP3 6703 27.346 53.686 -1.967 1.00 0.00 WT2 H ATOM 33285 H2 TIP3 6703 27.407 52.201 -2.256 1.00 0.00 WT2 H ATOM 33286 OH2 TIP3 6704 22.102 11.831 -1.305 1.00 0.00 WT2 O ATOM 33287 H1 TIP3 6704 22.063 11.872 -0.350 1.00 0.00 WT2 H ATOM 33288 H2 TIP3 6704 22.513 12.655 -1.565 1.00 0.00 WT2 H ATOM 33289 OH2 TIP3 6705 87.789 80.099 21.984 1.00 0.00 WT2 O ATOM 33290 H1 TIP3 6705 87.004 80.628 21.841 1.00 0.00 WT2 H ATOM 33291 H2 TIP3 6705 87.490 79.195 21.891 1.00 0.00 WT2 H ATOM 33292 OH2 TIP3 6706 31.417 35.528 38.225 1.00 0.00 WT2 O ATOM 33293 H1 TIP3 6706 32.087 36.163 38.478 1.00 0.00 WT2 H ATOM 33294 H2 TIP3 6706 30.695 36.061 37.890 1.00 0.00 WT2 H ATOM 33295 OH2 TIP3 6721 20.885 15.186 57.034 1.00 0.00 WT2 O ATOM 33296 H1 TIP3 6721 21.354 15.497 57.808 1.00 0.00 WT2 H ATOM 33297 H2 TIP3 6721 20.461 15.968 56.680 1.00 0.00 WT2 H ATOM 33298 OH2 TIP3 6722 87.236 75.041 23.830 1.00 0.00 WT2 O ATOM 33299 H1 TIP3 6722 86.456 75.354 24.288 1.00 0.00 WT2 H ATOM 33300 H2 TIP3 6722 86.922 74.318 23.287 1.00 0.00 WT2 H ATOM 33301 OH2 TIP3 6726 61.065 19.965 -7.548 1.00 0.00 WT2 O ATOM 33302 H1 TIP3 6726 61.590 20.011 -6.749 1.00 0.00 WT2 H ATOM 33303 H2 TIP3 6726 60.501 19.202 -7.422 1.00 0.00 WT2 H ATOM 33304 OH2 TIP3 6727 28.550 71.669 1.143 1.00 0.00 WT2 O ATOM 33305 H1 TIP3 6727 29.097 71.346 1.858 1.00 0.00 WT2 H ATOM 33306 H2 TIP3 6727 27.658 71.430 1.396 1.00 0.00 WT2 H ATOM 33307 OH2 TIP3 6730 34.782 14.902 2.862 1.00 0.00 WT2 O ATOM 33308 H1 TIP3 6730 35.190 14.037 2.850 1.00 0.00 WT2 H ATOM 33309 H2 TIP3 6730 34.349 14.974 2.011 1.00 0.00 WT2 H ATOM 33310 OH2 TIP3 6731 34.782 13.123 19.609 1.00 0.00 WT2 O ATOM 33311 H1 TIP3 6731 34.097 13.517 19.069 1.00 0.00 WT2 H ATOM 33312 H2 TIP3 6731 35.157 13.857 20.095 1.00 0.00 WT2 H ATOM 33313 OH2 TIP3 6740 69.794 38.902 8.029 1.00 0.00 WT2 O ATOM 33314 H1 TIP3 6740 68.939 39.312 8.161 1.00 0.00 WT2 H ATOM 33315 H2 TIP3 6740 70.368 39.624 7.772 1.00 0.00 WT2 H ATOM 33316 OH2 TIP3 6742 51.782 26.399 51.023 1.00 0.00 WT2 O ATOM 33317 H1 TIP3 6742 51.119 25.710 51.065 1.00 0.00 WT2 H ATOM 33318 H2 TIP3 6742 51.804 26.656 50.101 1.00 0.00 WT2 H ATOM 33319 OH2 TIP3 6743 86.661 39.258 27.659 1.00 0.00 WT2 O ATOM 33320 H1 TIP3 6743 87.041 39.818 28.335 1.00 0.00 WT2 H ATOM 33321 H2 TIP3 6743 87.050 39.569 26.842 1.00 0.00 WT2 H ATOM 33322 OH2 TIP3 6745 83.780 42.014 44.445 1.00 0.00 WT2 O ATOM 33323 H1 TIP3 6745 83.548 41.178 44.849 1.00 0.00 WT2 H ATOM 33324 H2 TIP3 6745 83.167 42.643 44.827 1.00 0.00 WT2 H ATOM 33325 OH2 TIP3 6748 77.280 59.047 60.593 1.00 0.00 WT2 O ATOM 33326 H1 TIP3 6748 77.765 58.962 59.772 1.00 0.00 WT2 H ATOM 33327 H2 TIP3 6748 76.586 58.390 60.532 1.00 0.00 WT2 H ATOM 33328 OH2 TIP3 6750 73.719 35.814 58.280 1.00 0.00 WT2 O ATOM 33329 H1 TIP3 6750 74.285 35.107 58.590 1.00 0.00 WT2 H ATOM 33330 H2 TIP3 6750 73.448 35.538 57.405 1.00 0.00 WT2 H ATOM 33331 OH2 TIP3 6762 54.860 89.664 47.138 1.00 0.00 WT2 O ATOM 33332 H1 TIP3 6762 55.075 90.367 47.751 1.00 0.00 WT2 H ATOM 33333 H2 TIP3 6762 54.271 90.072 46.503 1.00 0.00 WT2 H ATOM 33334 OH2 TIP3 6763 32.801 16.070 55.138 1.00 0.00 WT2 O ATOM 33335 H1 TIP3 6763 33.739 16.150 55.312 1.00 0.00 WT2 H ATOM 33336 H2 TIP3 6763 32.654 15.129 55.041 1.00 0.00 WT2 H ATOM 33337 OH2 TIP3 6765 66.736 84.229 12.802 1.00 0.00 WT2 O ATOM 33338 H1 TIP3 6765 67.385 83.678 13.240 1.00 0.00 WT2 H ATOM 33339 H2 TIP3 6765 65.936 84.111 13.314 1.00 0.00 WT2 H ATOM 33340 OH2 TIP3 6767 73.984 23.802 52.271 1.00 0.00 WT2 O ATOM 33341 H1 TIP3 6767 73.538 24.631 52.443 1.00 0.00 WT2 H ATOM 33342 H2 TIP3 6767 73.296 23.140 52.344 1.00 0.00 WT2 H ATOM 33343 OH2 TIP3 6768 26.828 53.884 66.816 1.00 0.00 WT2 O ATOM 33344 H1 TIP3 6768 26.571 54.733 67.176 1.00 0.00 WT2 H ATOM 33345 H2 TIP3 6768 27.062 53.359 67.581 1.00 0.00 WT2 H ATOM 33346 OH2 TIP3 6769 24.120 80.836 -5.857 1.00 0.00 WT2 O ATOM 33347 H1 TIP3 6769 23.864 81.555 -6.434 1.00 0.00 WT2 H ATOM 33348 H2 TIP3 6769 23.485 80.866 -5.140 1.00 0.00 WT2 H ATOM 33349 OH2 TIP3 6770 89.699 30.937 54.226 1.00 0.00 WT2 O ATOM 33350 H1 TIP3 6770 88.754 31.085 54.196 1.00 0.00 WT2 H ATOM 33351 H2 TIP3 6770 90.066 31.612 53.656 1.00 0.00 WT2 H ATOM 33352 OH2 TIP3 6771 39.075 50.838 41.076 1.00 0.00 WT2 O ATOM 33353 H1 TIP3 6771 39.096 51.702 40.664 1.00 0.00 WT2 H ATOM 33354 H2 TIP3 6771 39.736 50.884 41.767 1.00 0.00 WT2 H ATOM 33355 OH2 TIP3 6786 29.117 4.153 23.428 1.00 0.00 WT2 O ATOM 33356 H1 TIP3 6786 28.305 4.442 23.011 1.00 0.00 WT2 H ATOM 33357 H2 TIP3 6786 29.032 3.202 23.487 1.00 0.00 WT2 H ATOM 33358 OH2 TIP3 6788 23.477 87.544 61.792 1.00 0.00 WT2 O ATOM 33359 H1 TIP3 6788 23.870 86.675 61.875 1.00 0.00 WT2 H ATOM 33360 H2 TIP3 6788 24.098 88.131 62.223 1.00 0.00 WT2 H ATOM 33361 OH2 TIP3 6790 73.877 60.588 -4.248 1.00 0.00 WT2 O ATOM 33362 H1 TIP3 6790 73.370 61.381 -4.071 1.00 0.00 WT2 H ATOM 33363 H2 TIP3 6790 73.249 59.873 -4.145 1.00 0.00 WT2 H ATOM 33364 OH2 TIP3 6791 41.894 90.779 8.273 1.00 0.00 WT2 O ATOM 33365 H1 TIP3 6791 41.744 91.035 7.363 1.00 0.00 WT2 H ATOM 33366 H2 TIP3 6791 41.793 89.827 8.274 1.00 0.00 WT2 H ATOM 33367 OH2 TIP3 6792 82.395 65.684 23.496 1.00 0.00 WT2 O ATOM 33368 H1 TIP3 6792 82.938 64.895 23.500 1.00 0.00 WT2 H ATOM 33369 H2 TIP3 6792 81.997 65.696 22.626 1.00 0.00 WT2 H ATOM 33370 OH2 TIP3 6803 55.134 36.888 49.947 1.00 0.00 WT2 O ATOM 33371 H1 TIP3 6803 54.450 37.283 49.406 1.00 0.00 WT2 H ATOM 33372 H2 TIP3 6803 54.659 36.452 50.654 1.00 0.00 WT2 H ATOM 33373 OH2 TIP3 6807 89.501 51.850 -6.431 1.00 0.00 WT2 O ATOM 33374 H1 TIP3 6807 88.743 52.109 -6.956 1.00 0.00 WT2 H ATOM 33375 H2 TIP3 6807 89.974 51.227 -6.983 1.00 0.00 WT2 H ATOM 33376 OH2 TIP3 6810 87.959 20.232 10.685 1.00 0.00 WT2 O ATOM 33377 H1 TIP3 6810 88.775 20.315 10.191 1.00 0.00 WT2 H ATOM 33378 H2 TIP3 6810 88.156 19.589 11.366 1.00 0.00 WT2 H ATOM 33379 OH2 TIP3 6811 61.834 91.294 -16.162 1.00 0.00 WT2 O ATOM 33380 H1 TIP3 6811 62.161 91.160 -17.052 1.00 0.00 WT2 H ATOM 33381 H2 TIP3 6811 61.188 91.995 -16.247 1.00 0.00 WT2 H ATOM 33382 OH2 TIP3 6813 24.615 26.226 57.531 1.00 0.00 WT2 O ATOM 33383 H1 TIP3 6813 24.461 26.192 58.475 1.00 0.00 WT2 H ATOM 33384 H2 TIP3 6813 24.299 25.383 57.205 1.00 0.00 WT2 H ATOM 33385 OH2 TIP3 6815 21.229 40.846 2.049 1.00 0.00 WT2 O ATOM 33386 H1 TIP3 6815 21.740 40.067 1.832 1.00 0.00 WT2 H ATOM 33387 H2 TIP3 6815 21.452 41.034 2.960 1.00 0.00 WT2 H ATOM 33388 OH2 TIP3 6825 33.554 40.417 48.843 1.00 0.00 WT2 O ATOM 33389 H1 TIP3 6825 33.622 40.509 49.793 1.00 0.00 WT2 H ATOM 33390 H2 TIP3 6825 34.039 41.165 48.494 1.00 0.00 WT2 H ATOM 33391 OH2 TIP3 6826 45.630 82.631 56.760 1.00 0.00 WT2 O ATOM 33392 H1 TIP3 6826 45.664 83.579 56.888 1.00 0.00 WT2 H ATOM 33393 H2 TIP3 6826 45.498 82.274 57.639 1.00 0.00 WT2 H ATOM 33394 OH2 TIP3 6827 23.889 2.934 46.721 1.00 0.00 WT2 O ATOM 33395 H1 TIP3 6827 23.069 2.458 46.854 1.00 0.00 WT2 H ATOM 33396 H2 TIP3 6827 24.445 2.663 47.451 1.00 0.00 WT2 H ATOM 33397 OH2 TIP3 6828 60.313 67.728 30.108 1.00 0.00 WT2 O ATOM 33398 H1 TIP3 6828 60.111 68.626 29.845 1.00 0.00 WT2 H ATOM 33399 H2 TIP3 6828 59.459 67.321 30.250 1.00 0.00 WT2 H ATOM 33400 OH2 TIP3 6831 59.743 27.024 51.193 1.00 0.00 WT2 O ATOM 33401 H1 TIP3 6831 59.169 27.547 50.633 1.00 0.00 WT2 H ATOM 33402 H2 TIP3 6831 60.019 26.294 50.638 1.00 0.00 WT2 H ATOM 33403 OH2 TIP3 6834 57.578 67.136 -4.494 1.00 0.00 WT2 O ATOM 33404 H1 TIP3 6834 57.860 66.667 -5.280 1.00 0.00 WT2 H ATOM 33405 H2 TIP3 6834 57.094 66.484 -3.987 1.00 0.00 WT2 H ATOM 33406 OH2 TIP3 6836 24.727 44.127 -9.785 1.00 0.00 WT2 O ATOM 33407 H1 TIP3 6836 24.372 43.328 -10.176 1.00 0.00 WT2 H ATOM 33408 H2 TIP3 6836 24.179 44.281 -9.015 1.00 0.00 WT2 H ATOM 33409 OH2 TIP3 6846 55.630 63.089 25.782 1.00 0.00 WT2 O ATOM 33410 H1 TIP3 6846 55.597 62.876 24.850 1.00 0.00 WT2 H ATOM 33411 H2 TIP3 6846 55.691 62.241 26.221 1.00 0.00 WT2 H ATOM 33412 OH2 TIP3 6848 33.832 61.997 59.183 1.00 0.00 WT2 O ATOM 33413 H1 TIP3 6848 34.766 62.024 58.976 1.00 0.00 WT2 H ATOM 33414 H2 TIP3 6848 33.450 62.700 58.657 1.00 0.00 WT2 H ATOM 33415 OH2 TIP3 6849 90.682 44.718 28.408 1.00 0.00 WT2 O ATOM 33416 H1 TIP3 6849 89.908 45.278 28.358 1.00 0.00 WT2 H ATOM 33417 H2 TIP3 6849 90.333 43.841 28.573 1.00 0.00 WT2 H ATOM 33418 OH2 TIP3 6850 67.558 67.961 56.929 1.00 0.00 WT2 O ATOM 33419 H1 TIP3 6850 67.252 67.196 57.416 1.00 0.00 WT2 H ATOM 33420 H2 TIP3 6850 66.776 68.294 56.488 1.00 0.00 WT2 H ATOM 33421 OH2 TIP3 6851 49.009 53.288 -5.024 1.00 0.00 WT2 O ATOM 33422 H1 TIP3 6851 49.214 52.630 -4.359 1.00 0.00 WT2 H ATOM 33423 H2 TIP3 6851 48.514 53.959 -4.553 1.00 0.00 WT2 H ATOM 33424 OH2 TIP3 6852 70.787 61.877 -4.882 1.00 0.00 WT2 O ATOM 33425 H1 TIP3 6852 71.289 61.975 -4.073 1.00 0.00 WT2 H ATOM 33426 H2 TIP3 6852 70.282 61.073 -4.755 1.00 0.00 WT2 H ATOM 33427 OH2 TIP3 6853 41.092 28.880 -10.571 1.00 0.00 WT2 O ATOM 33428 H1 TIP3 6853 40.550 29.648 -10.394 1.00 0.00 WT2 H ATOM 33429 H2 TIP3 6853 40.865 28.628 -11.466 1.00 0.00 WT2 H ATOM 33430 OH2 TIP3 6854 49.707 5.811 19.531 1.00 0.00 WT2 O ATOM 33431 H1 TIP3 6854 49.413 6.508 20.118 1.00 0.00 WT2 H ATOM 33432 H2 TIP3 6854 48.921 5.558 19.047 1.00 0.00 WT2 H ATOM 33433 OH2 TIP3 6855 66.625 16.892 -1.134 1.00 0.00 WT2 O ATOM 33434 H1 TIP3 6855 66.358 15.982 -1.263 1.00 0.00 WT2 H ATOM 33435 H2 TIP3 6855 66.584 17.022 -0.186 1.00 0.00 WT2 H ATOM 33436 OH2 TIP3 6866 35.494 67.810 50.729 1.00 0.00 WT2 O ATOM 33437 H1 TIP3 6866 35.055 67.683 51.570 1.00 0.00 WT2 H ATOM 33438 H2 TIP3 6866 35.020 67.242 50.122 1.00 0.00 WT2 H ATOM 33439 OH2 TIP3 6867 85.027 25.656 52.101 1.00 0.00 WT2 O ATOM 33440 H1 TIP3 6867 85.045 24.705 52.208 1.00 0.00 WT2 H ATOM 33441 H2 TIP3 6867 85.795 25.966 52.580 1.00 0.00 WT2 H ATOM 33442 OH2 TIP3 6869 59.176 71.995 -10.944 1.00 0.00 WT2 O ATOM 33443 H1 TIP3 6869 59.449 71.097 -10.756 1.00 0.00 WT2 H ATOM 33444 H2 TIP3 6869 58.856 72.329 -10.106 1.00 0.00 WT2 H ATOM 33445 OH2 TIP3 6870 36.777 29.608 42.329 1.00 0.00 WT2 O ATOM 33446 H1 TIP3 6870 37.027 28.765 41.952 1.00 0.00 WT2 H ATOM 33447 H2 TIP3 6870 37.569 29.920 42.767 1.00 0.00 WT2 H ATOM 33448 OH2 TIP3 6872 64.819 50.612 41.787 1.00 0.00 WT2 O ATOM 33449 H1 TIP3 6872 64.075 50.854 41.235 1.00 0.00 WT2 H ATOM 33450 H2 TIP3 6872 65.236 51.445 42.006 1.00 0.00 WT2 H ATOM 33451 OH2 TIP3 6874 31.901 23.404 25.466 1.00 0.00 WT2 O ATOM 33452 H1 TIP3 6874 31.183 23.809 25.953 1.00 0.00 WT2 H ATOM 33453 H2 TIP3 6874 32.227 24.101 24.897 1.00 0.00 WT2 H ATOM 33454 OH2 TIP3 6886 26.252 47.665 39.512 1.00 0.00 WT2 O ATOM 33455 H1 TIP3 6886 25.970 46.834 39.130 1.00 0.00 WT2 H ATOM 33456 H2 TIP3 6886 26.405 47.464 40.436 1.00 0.00 WT2 H ATOM 33457 OH2 TIP3 6887 74.822 28.347 11.785 1.00 0.00 WT2 O ATOM 33458 H1 TIP3 6887 74.057 28.849 12.064 1.00 0.00 WT2 H ATOM 33459 H2 TIP3 6887 74.474 27.485 11.557 1.00 0.00 WT2 H ATOM 33460 OH2 TIP3 6889 47.096 63.518 -11.997 1.00 0.00 WT2 O ATOM 33461 H1 TIP3 6889 47.842 63.061 -11.607 1.00 0.00 WT2 H ATOM 33462 H2 TIP3 6889 46.496 63.664 -11.266 1.00 0.00 WT2 H ATOM 33463 OH2 TIP3 6890 44.217 77.935 28.656 1.00 0.00 WT2 O ATOM 33464 H1 TIP3 6890 44.999 77.413 28.477 1.00 0.00 WT2 H ATOM 33465 H2 TIP3 6890 43.496 77.421 28.292 1.00 0.00 WT2 H ATOM 33466 OH2 TIP3 6893 83.031 12.388 -2.126 1.00 0.00 WT2 O ATOM 33467 H1 TIP3 6893 82.357 12.723 -2.716 1.00 0.00 WT2 H ATOM 33468 H2 TIP3 6893 83.804 12.919 -2.318 1.00 0.00 WT2 H ATOM 33469 OH2 TIP3 6896 45.878 77.072 7.732 1.00 0.00 WT2 O ATOM 33470 H1 TIP3 6896 45.490 76.238 7.467 1.00 0.00 WT2 H ATOM 33471 H2 TIP3 6896 46.479 77.294 7.021 1.00 0.00 WT2 H ATOM 33472 OH2 TIP3 6910 88.999 50.272 14.487 1.00 0.00 WT2 O ATOM 33473 H1 TIP3 6910 88.928 51.162 14.143 1.00 0.00 WT2 H ATOM 33474 H2 TIP3 6910 89.437 49.780 13.792 1.00 0.00 WT2 H ATOM 33475 OH2 TIP3 6911 31.295 39.870 42.722 1.00 0.00 WT2 O ATOM 33476 H1 TIP3 6911 31.681 40.643 42.310 1.00 0.00 WT2 H ATOM 33477 H2 TIP3 6911 31.791 39.757 43.533 1.00 0.00 WT2 H ATOM 33478 OH2 TIP3 6913 36.635 87.056 28.516 1.00 0.00 WT2 O ATOM 33479 H1 TIP3 6913 37.388 87.057 27.925 1.00 0.00 WT2 H ATOM 33480 H2 TIP3 6913 36.914 86.522 29.260 1.00 0.00 WT2 H ATOM 33481 OH2 TIP3 6914 75.243 11.533 -19.220 1.00 0.00 WT2 O ATOM 33482 H1 TIP3 6914 74.291 11.503 -19.118 1.00 0.00 WT2 H ATOM 33483 H2 TIP3 6914 75.583 11.372 -18.340 1.00 0.00 WT2 H ATOM 33484 OH2 TIP3 6915 55.551 7.986 -15.518 1.00 0.00 WT2 O ATOM 33485 H1 TIP3 6915 55.913 7.814 -16.387 1.00 0.00 WT2 H ATOM 33486 H2 TIP3 6915 56.143 7.533 -14.918 1.00 0.00 WT2 H ATOM 33487 OH2 TIP3 6916 66.057 96.614 24.677 1.00 0.00 WT2 O ATOM 33488 H1 TIP3 6916 66.170 96.279 23.787 1.00 0.00 WT2 H ATOM 33489 H2 TIP3 6916 65.270 96.176 25.000 1.00 0.00 WT2 H ATOM 33490 OH2 TIP3 6919 82.704 78.674 38.470 1.00 0.00 WT2 O ATOM 33491 H1 TIP3 6919 81.899 79.135 38.708 1.00 0.00 WT2 H ATOM 33492 H2 TIP3 6919 82.417 77.788 38.252 1.00 0.00 WT2 H ATOM 33493 OH2 TIP3 6928 57.903 51.880 -15.839 1.00 0.00 WT2 O ATOM 33494 H1 TIP3 6928 58.732 51.469 -15.597 1.00 0.00 WT2 H ATOM 33495 H2 TIP3 6928 58.132 52.488 -16.542 1.00 0.00 WT2 H ATOM 33496 OH2 TIP3 6932 65.783 37.025 52.889 1.00 0.00 WT2 O ATOM 33497 H1 TIP3 6932 65.938 36.192 52.444 1.00 0.00 WT2 H ATOM 33498 H2 TIP3 6932 66.244 36.940 53.724 1.00 0.00 WT2 H ATOM 33499 OH2 TIP3 6933 70.947 75.054 29.892 1.00 0.00 WT2 O ATOM 33500 H1 TIP3 6933 70.538 74.473 29.251 1.00 0.00 WT2 H ATOM 33501 H2 TIP3 6933 70.277 75.711 30.084 1.00 0.00 WT2 H ATOM 33502 OH2 TIP3 6935 69.495 53.053 9.441 1.00 0.00 WT2 O ATOM 33503 H1 TIP3 6935 69.176 53.941 9.600 1.00 0.00 WT2 H ATOM 33504 H2 TIP3 6935 68.758 52.488 9.673 1.00 0.00 WT2 H ATOM 33505 OH2 TIP3 6936 66.193 25.916 43.397 1.00 0.00 WT2 O ATOM 33506 H1 TIP3 6936 65.460 26.161 43.961 1.00 0.00 WT2 H ATOM 33507 H2 TIP3 6936 66.924 25.779 43.999 1.00 0.00 WT2 H ATOM 33508 OH2 TIP3 6952 79.871 2.483 -10.931 1.00 0.00 WT2 O ATOM 33509 H1 TIP3 6952 79.743 2.142 -11.817 1.00 0.00 WT2 H ATOM 33510 H2 TIP3 6952 79.967 1.703 -10.385 1.00 0.00 WT2 H ATOM 33511 OH2 TIP3 6953 54.722 31.595 35.154 1.00 0.00 WT2 O ATOM 33512 H1 TIP3 6953 54.508 32.453 35.521 1.00 0.00 WT2 H ATOM 33513 H2 TIP3 6953 54.134 31.502 34.405 1.00 0.00 WT2 H ATOM 33514 OH2 TIP3 6955 44.142 70.693 29.955 1.00 0.00 WT2 O ATOM 33515 H1 TIP3 6955 44.313 71.577 30.278 1.00 0.00 WT2 H ATOM 33516 H2 TIP3 6955 44.729 70.134 30.464 1.00 0.00 WT2 H ATOM 33517 OH2 TIP3 6957 70.156 34.567 26.101 1.00 0.00 WT2 O ATOM 33518 H1 TIP3 6957 69.318 34.935 25.820 1.00 0.00 WT2 H ATOM 33519 H2 TIP3 6957 70.807 35.013 25.559 1.00 0.00 WT2 H ATOM 33520 OH2 TIP3 6959 44.947 53.232 -16.510 1.00 0.00 WT2 O ATOM 33521 H1 TIP3 6959 44.589 52.725 -15.781 1.00 0.00 WT2 H ATOM 33522 H2 TIP3 6959 44.990 54.130 -16.179 1.00 0.00 WT2 H ATOM 33523 OH2 TIP3 6970 90.229 89.350 37.742 1.00 0.00 WT2 O ATOM 33524 H1 TIP3 6970 89.886 88.605 37.247 1.00 0.00 WT2 H ATOM 33525 H2 TIP3 6970 91.178 89.296 37.630 1.00 0.00 WT2 H ATOM 33526 OH2 TIP3 6973 64.067 50.858 -5.872 1.00 0.00 WT2 O ATOM 33527 H1 TIP3 6973 63.611 50.364 -5.190 1.00 0.00 WT2 H ATOM 33528 H2 TIP3 6973 64.979 50.882 -5.582 1.00 0.00 WT2 H ATOM 33529 OH2 TIP3 6975 63.049 90.765 -18.451 1.00 0.00 WT2 O ATOM 33530 H1 TIP3 6975 63.943 90.442 -18.562 1.00 0.00 WT2 H ATOM 33531 H2 TIP3 6975 62.976 91.488 -19.074 1.00 0.00 WT2 H ATOM 33532 OH2 TIP3 6977 48.292 31.563 33.846 1.00 0.00 WT2 O ATOM 33533 H1 TIP3 6977 48.800 32.343 33.621 1.00 0.00 WT2 H ATOM 33534 H2 TIP3 6977 48.358 31.500 34.799 1.00 0.00 WT2 H ATOM 33535 OH2 TIP3 6978 60.101 43.862 44.838 1.00 0.00 WT2 O ATOM 33536 H1 TIP3 6978 60.886 43.889 44.290 1.00 0.00 WT2 H ATOM 33537 H2 TIP3 6978 60.084 42.972 45.189 1.00 0.00 WT2 H ATOM 33538 OH2 TIP3 6980 36.281 29.860 3.059 1.00 0.00 WT2 O ATOM 33539 H1 TIP3 6980 35.369 29.866 3.349 1.00 0.00 WT2 H ATOM 33540 H2 TIP3 6980 36.521 28.933 3.042 1.00 0.00 WT2 H ATOM 33541 OH2 TIP3 6993 49.604 54.363 43.174 1.00 0.00 WT2 O ATOM 33542 H1 TIP3 6993 49.970 55.165 43.547 1.00 0.00 WT2 H ATOM 33543 H2 TIP3 6993 49.235 54.636 42.334 1.00 0.00 WT2 H ATOM 33544 OH2 TIP3 6995 39.413 37.515 56.270 1.00 0.00 WT2 O ATOM 33545 H1 TIP3 6995 39.126 38.407 56.469 1.00 0.00 WT2 H ATOM 33546 H2 TIP3 6995 40.354 37.596 56.112 1.00 0.00 WT2 H ATOM 33547 OH2 TIP3 6997 36.643 56.408 25.040 1.00 0.00 WT2 O ATOM 33548 H1 TIP3 6997 36.671 57.355 24.905 1.00 0.00 WT2 H ATOM 33549 H2 TIP3 6997 37.277 56.246 25.739 1.00 0.00 WT2 H ATOM 33550 OH2 TIP3 6998 77.208 53.315 58.365 1.00 0.00 WT2 O ATOM 33551 H1 TIP3 6998 76.884 52.478 58.699 1.00 0.00 WT2 H ATOM 33552 H2 TIP3 6998 77.557 53.762 59.136 1.00 0.00 WT2 H ATOM 33553 OH2 TIP3 6999 74.769 41.585 46.752 1.00 0.00 WT2 O ATOM 33554 H1 TIP3 6999 75.141 41.334 45.906 1.00 0.00 WT2 H ATOM 33555 H2 TIP3 6999 74.595 40.754 47.194 1.00 0.00 WT2 H ATOM 33556 OH2 TIP3 7000 54.055 40.441 -12.120 1.00 0.00 WT2 O ATOM 33557 H1 TIP3 7000 53.797 40.945 -11.348 1.00 0.00 WT2 H ATOM 33558 H2 TIP3 7000 53.322 40.541 -12.728 1.00 0.00 WT2 H ATOM 33559 OH2 TIP3 7002 61.928 54.634 66.767 1.00 0.00 WT2 O ATOM 33560 H1 TIP3 7002 61.755 55.551 66.979 1.00 0.00 WT2 H ATOM 33561 H2 TIP3 7002 61.090 54.193 66.906 1.00 0.00 WT2 H ATOM 33562 OH2 TIP3 7015 54.617 16.866 52.851 1.00 0.00 WT2 O ATOM 33563 H1 TIP3 7015 55.479 16.458 52.766 1.00 0.00 WT2 H ATOM 33564 H2 TIP3 7015 54.733 17.748 52.500 1.00 0.00 WT2 H ATOM 33565 OH2 TIP3 7017 46.889 23.710 47.117 1.00 0.00 WT2 O ATOM 33566 H1 TIP3 7017 46.293 24.348 47.510 1.00 0.00 WT2 H ATOM 33567 H2 TIP3 7017 47.652 24.225 46.854 1.00 0.00 WT2 H ATOM 33568 OH2 TIP3 7018 59.554 82.962 -16.644 1.00 0.00 WT2 O ATOM 33569 H1 TIP3 7018 59.372 82.203 -17.198 1.00 0.00 WT2 H ATOM 33570 H2 TIP3 7018 59.961 83.597 -17.234 1.00 0.00 WT2 H ATOM 33571 OH2 TIP3 7019 36.754 89.265 5.749 1.00 0.00 WT2 O ATOM 33572 H1 TIP3 7019 36.181 89.492 5.017 1.00 0.00 WT2 H ATOM 33573 H2 TIP3 7019 36.432 89.795 6.479 1.00 0.00 WT2 H ATOM 33574 OH2 TIP3 7020 25.348 86.825 -14.914 1.00 0.00 WT2 O ATOM 33575 H1 TIP3 7020 24.527 86.607 -14.474 1.00 0.00 WT2 H ATOM 33576 H2 TIP3 7020 26.022 86.680 -14.250 1.00 0.00 WT2 H ATOM 33577 OH2 TIP3 7021 65.180 21.705 -11.316 1.00 0.00 WT2 O ATOM 33578 H1 TIP3 7021 65.211 21.482 -12.247 1.00 0.00 WT2 H ATOM 33579 H2 TIP3 7021 64.275 21.978 -11.165 1.00 0.00 WT2 H ATOM 33580 OH2 TIP3 7023 88.636 57.204 25.991 1.00 0.00 WT2 O ATOM 33581 H1 TIP3 7023 89.567 57.383 26.122 1.00 0.00 WT2 H ATOM 33582 H2 TIP3 7023 88.615 56.509 25.333 1.00 0.00 WT2 H ATOM 33583 OH2 TIP3 7024 38.140 92.462 4.037 1.00 0.00 WT2 O ATOM 33584 H1 TIP3 7024 38.409 91.920 4.779 1.00 0.00 WT2 H ATOM 33585 H2 TIP3 7024 37.758 93.244 4.437 1.00 0.00 WT2 H ATOM 33586 OH2 TIP3 7035 80.152 21.594 47.020 1.00 0.00 WT2 O ATOM 33587 H1 TIP3 7035 80.730 22.073 46.426 1.00 0.00 WT2 H ATOM 33588 H2 TIP3 7035 79.459 21.251 46.456 1.00 0.00 WT2 H ATOM 33589 OH2 TIP3 7038 83.751 82.366 -17.261 1.00 0.00 WT2 O ATOM 33590 H1 TIP3 7038 83.834 83.093 -17.879 1.00 0.00 WT2 H ATOM 33591 H2 TIP3 7038 83.426 82.772 -16.457 1.00 0.00 WT2 H ATOM 33592 OH2 TIP3 7040 50.570 44.884 66.075 1.00 0.00 WT2 O ATOM 33593 H1 TIP3 7040 51.270 44.258 66.259 1.00 0.00 WT2 H ATOM 33594 H2 TIP3 7040 51.021 45.650 65.719 1.00 0.00 WT2 H ATOM 33595 OH2 TIP3 7041 74.879 34.554 7.964 1.00 0.00 WT2 O ATOM 33596 H1 TIP3 7041 75.698 34.151 8.251 1.00 0.00 WT2 H ATOM 33597 H2 TIP3 7041 74.608 35.099 8.702 1.00 0.00 WT2 H ATOM 33598 OH2 TIP3 7042 58.793 5.747 -3.825 1.00 0.00 WT2 O ATOM 33599 H1 TIP3 7042 58.111 5.173 -3.476 1.00 0.00 WT2 H ATOM 33600 H2 TIP3 7042 59.585 5.496 -3.350 1.00 0.00 WT2 H ATOM 33601 OH2 TIP3 7043 38.625 21.332 44.318 1.00 0.00 WT2 O ATOM 33602 H1 TIP3 7043 39.514 21.330 43.962 1.00 0.00 WT2 H ATOM 33603 H2 TIP3 7043 38.148 20.702 43.778 1.00 0.00 WT2 H ATOM 33604 OH2 TIP3 7044 40.525 38.013 -9.440 1.00 0.00 WT2 O ATOM 33605 H1 TIP3 7044 40.915 37.769 -10.279 1.00 0.00 WT2 H ATOM 33606 H2 TIP3 7044 39.691 38.422 -9.672 1.00 0.00 WT2 H ATOM 33607 OH2 TIP3 7052 77.210 76.598 35.708 1.00 0.00 WT2 O ATOM 33608 H1 TIP3 7052 77.363 77.355 35.143 1.00 0.00 WT2 H ATOM 33609 H2 TIP3 7052 76.929 75.905 35.109 1.00 0.00 WT2 H ATOM 33610 OH2 TIP3 7058 21.495 28.471 25.447 1.00 0.00 WT2 O ATOM 33611 H1 TIP3 7058 21.284 28.073 24.603 1.00 0.00 WT2 H ATOM 33612 H2 TIP3 7058 20.852 29.172 25.549 1.00 0.00 WT2 H ATOM 33613 OH2 TIP3 7059 33.939 75.714 41.873 1.00 0.00 WT2 O ATOM 33614 H1 TIP3 7059 33.002 75.909 41.906 1.00 0.00 WT2 H ATOM 33615 H2 TIP3 7059 33.984 74.793 41.617 1.00 0.00 WT2 H ATOM 33616 OH2 TIP3 7061 25.702 56.107 44.238 1.00 0.00 WT2 O ATOM 33617 H1 TIP3 7061 26.114 55.251 44.123 1.00 0.00 WT2 H ATOM 33618 H2 TIP3 7061 25.044 56.152 43.545 1.00 0.00 WT2 H ATOM 33619 OH2 TIP3 7062 81.748 0.366 0.205 1.00 0.00 WT2 O ATOM 33620 H1 TIP3 7062 81.647 0.874 -0.600 1.00 0.00 WT2 H ATOM 33621 H2 TIP3 7062 82.690 0.369 0.375 1.00 0.00 WT2 H ATOM 33622 OH2 TIP3 7063 73.300 13.145 56.774 1.00 0.00 WT2 O ATOM 33623 H1 TIP3 7063 73.527 13.438 57.656 1.00 0.00 WT2 H ATOM 33624 H2 TIP3 7063 73.673 12.265 56.710 1.00 0.00 WT2 H ATOM 33625 OH2 TIP3 7064 47.854 8.491 66.876 1.00 0.00 WT2 O ATOM 33626 H1 TIP3 7064 47.843 8.195 67.786 1.00 0.00 WT2 H ATOM 33627 H2 TIP3 7064 48.729 8.858 66.753 1.00 0.00 WT2 H ATOM 33628 OH2 TIP3 7065 37.808 74.004 64.563 1.00 0.00 WT2 O ATOM 33629 H1 TIP3 7065 37.114 73.602 65.087 1.00 0.00 WT2 H ATOM 33630 H2 TIP3 7065 38.607 73.553 64.836 1.00 0.00 WT2 H ATOM 33631 OH2 TIP3 7066 75.783 72.288 -16.624 1.00 0.00 WT2 O ATOM 33632 H1 TIP3 7066 75.841 71.975 -15.721 1.00 0.00 WT2 H ATOM 33633 H2 TIP3 7066 74.973 71.902 -16.959 1.00 0.00 WT2 H ATOM 33634 OH2 TIP3 7076 88.432 0.425 42.730 1.00 0.00 WT2 O ATOM 33635 H1 TIP3 7076 88.327 0.207 41.803 1.00 0.00 WT2 H ATOM 33636 H2 TIP3 7076 89.323 0.769 42.797 1.00 0.00 WT2 H ATOM 33637 OH2 TIP3 7078 71.350 41.340 14.041 1.00 0.00 WT2 O ATOM 33638 H1 TIP3 7078 70.478 41.396 14.432 1.00 0.00 WT2 H ATOM 33639 H2 TIP3 7078 71.792 42.141 14.324 1.00 0.00 WT2 H ATOM 33640 OH2 TIP3 7081 51.262 24.160 44.984 1.00 0.00 WT2 O ATOM 33641 H1 TIP3 7081 51.067 24.732 44.241 1.00 0.00 WT2 H ATOM 33642 H2 TIP3 7081 52.120 23.787 44.781 1.00 0.00 WT2 H ATOM 33643 OH2 TIP3 7100 74.795 4.497 10.710 1.00 0.00 WT2 O ATOM 33644 H1 TIP3 7100 74.755 5.252 10.124 1.00 0.00 WT2 H ATOM 33645 H2 TIP3 7100 75.549 3.994 10.402 1.00 0.00 WT2 H ATOM 33646 OH2 TIP3 7101 22.353 83.666 28.763 1.00 0.00 WT2 O ATOM 33647 H1 TIP3 7101 22.769 83.517 27.914 1.00 0.00 WT2 H ATOM 33648 H2 TIP3 7101 22.157 84.603 28.773 1.00 0.00 WT2 H ATOM 33649 OH2 TIP3 7102 32.354 95.559 3.093 1.00 0.00 WT2 O ATOM 33650 H1 TIP3 7102 31.994 95.801 2.240 1.00 0.00 WT2 H ATOM 33651 H2 TIP3 7102 32.050 94.663 3.237 1.00 0.00 WT2 H ATOM 33652 OH2 TIP3 7104 79.908 14.071 -6.043 1.00 0.00 WT2 O ATOM 33653 H1 TIP3 7104 78.954 14.043 -6.108 1.00 0.00 WT2 H ATOM 33654 H2 TIP3 7104 80.210 14.102 -6.951 1.00 0.00 WT2 H ATOM 33655 OH2 TIP3 7107 22.147 7.665 37.803 1.00 0.00 WT2 O ATOM 33656 H1 TIP3 7107 21.575 8.357 37.474 1.00 0.00 WT2 H ATOM 33657 H2 TIP3 7107 22.076 6.965 37.153 1.00 0.00 WT2 H ATOM 33658 OH2 TIP3 7120 47.773 75.066 41.149 1.00 0.00 WT2 O ATOM 33659 H1 TIP3 7120 47.314 75.887 41.323 1.00 0.00 WT2 H ATOM 33660 H2 TIP3 7120 47.614 74.893 40.221 1.00 0.00 WT2 H ATOM 33661 OH2 TIP3 7121 48.096 84.176 29.784 1.00 0.00 WT2 O ATOM 33662 H1 TIP3 7121 47.504 84.883 29.527 1.00 0.00 WT2 H ATOM 33663 H2 TIP3 7121 47.661 83.377 29.485 1.00 0.00 WT2 H ATOM 33664 OH2 TIP3 7122 36.175 58.222 8.888 1.00 0.00 WT2 O ATOM 33665 H1 TIP3 7122 35.861 59.051 9.250 1.00 0.00 WT2 H ATOM 33666 H2 TIP3 7122 37.003 58.061 9.341 1.00 0.00 WT2 H ATOM 33667 OH2 TIP3 7123 51.081 8.907 30.413 1.00 0.00 WT2 O ATOM 33668 H1 TIP3 7123 50.640 8.401 29.731 1.00 0.00 WT2 H ATOM 33669 H2 TIP3 7123 51.425 9.676 29.957 1.00 0.00 WT2 H ATOM 33670 OH2 TIP3 7124 70.480 51.185 26.284 1.00 0.00 WT2 O ATOM 33671 H1 TIP3 7124 69.726 51.763 26.402 1.00 0.00 WT2 H ATOM 33672 H2 TIP3 7124 70.108 50.372 25.944 1.00 0.00 WT2 H ATOM 33673 OH2 TIP3 7125 81.999 43.004 58.748 1.00 0.00 WT2 O ATOM 33674 H1 TIP3 7125 82.765 43.577 58.773 1.00 0.00 WT2 H ATOM 33675 H2 TIP3 7125 81.252 43.602 58.770 1.00 0.00 WT2 H ATOM 33676 OH2 TIP3 7128 75.504 0.844 59.019 1.00 0.00 WT2 O ATOM 33677 H1 TIP3 7128 76.019 1.133 58.265 1.00 0.00 WT2 H ATOM 33678 H2 TIP3 7128 76.130 0.822 59.743 1.00 0.00 WT2 H ATOM 33679 OH2 TIP3 7141 27.775 23.767 0.749 1.00 0.00 WT2 O ATOM 33680 H1 TIP3 7141 28.156 23.921 1.613 1.00 0.00 WT2 H ATOM 33681 H2 TIP3 7141 28.470 24.002 0.134 1.00 0.00 WT2 H ATOM 33682 OH2 TIP3 7142 27.472 47.561 4.078 1.00 0.00 WT2 O ATOM 33683 H1 TIP3 7142 27.777 47.297 4.946 1.00 0.00 WT2 H ATOM 33684 H2 TIP3 7142 27.228 48.481 4.179 1.00 0.00 WT2 H ATOM 33685 OH2 TIP3 7143 30.985 22.736 13.472 1.00 0.00 WT2 O ATOM 33686 H1 TIP3 7143 30.448 23.506 13.290 1.00 0.00 WT2 H ATOM 33687 H2 TIP3 7143 30.701 22.087 12.829 1.00 0.00 WT2 H ATOM 33688 OH2 TIP3 7144 53.077 12.678 50.667 1.00 0.00 WT2 O ATOM 33689 H1 TIP3 7144 52.793 11.767 50.584 1.00 0.00 WT2 H ATOM 33690 H2 TIP3 7144 52.865 12.914 51.570 1.00 0.00 WT2 H ATOM 33691 OH2 TIP3 7145 77.884 55.195 34.488 1.00 0.00 WT2 O ATOM 33692 H1 TIP3 7145 78.149 55.967 33.989 1.00 0.00 WT2 H ATOM 33693 H2 TIP3 7145 77.088 55.466 34.945 1.00 0.00 WT2 H ATOM 33694 OH2 TIP3 7146 46.732 84.607 63.336 1.00 0.00 WT2 O ATOM 33695 H1 TIP3 7146 47.231 84.902 64.097 1.00 0.00 WT2 H ATOM 33696 H2 TIP3 7146 46.548 83.685 63.513 1.00 0.00 WT2 H ATOM 33697 OH2 TIP3 7147 44.097 9.223 52.003 1.00 0.00 WT2 O ATOM 33698 H1 TIP3 7147 43.833 8.816 51.178 1.00 0.00 WT2 H ATOM 33699 H2 TIP3 7147 44.852 8.712 52.292 1.00 0.00 WT2 H ATOM 33700 OH2 TIP3 7148 87.283 24.363 38.247 1.00 0.00 WT2 O ATOM 33701 H1 TIP3 7148 86.889 25.217 38.425 1.00 0.00 WT2 H ATOM 33702 H2 TIP3 7148 87.395 23.966 39.110 1.00 0.00 WT2 H ATOM 33703 OH2 TIP3 7161 50.935 41.216 -8.299 1.00 0.00 WT2 O ATOM 33704 H1 TIP3 7161 51.584 41.137 -7.599 1.00 0.00 WT2 H ATOM 33705 H2 TIP3 7161 50.368 41.935 -8.021 1.00 0.00 WT2 H ATOM 33706 OH2 TIP3 7166 35.232 79.559 20.869 1.00 0.00 WT2 O ATOM 33707 H1 TIP3 7166 34.640 79.953 21.510 1.00 0.00 WT2 H ATOM 33708 H2 TIP3 7166 35.758 78.941 21.377 1.00 0.00 WT2 H ATOM 33709 OH2 TIP3 7179 76.191 73.967 -19.422 1.00 0.00 WT2 O ATOM 33710 H1 TIP3 7179 75.551 74.617 -19.713 1.00 0.00 WT2 H ATOM 33711 H2 TIP3 7179 76.946 74.102 -19.994 1.00 0.00 WT2 H ATOM 33712 OH2 TIP3 7181 31.374 74.879 32.526 1.00 0.00 WT2 O ATOM 33713 H1 TIP3 7181 30.650 75.393 32.168 1.00 0.00 WT2 H ATOM 33714 H2 TIP3 7181 31.879 75.506 33.045 1.00 0.00 WT2 H ATOM 33715 OH2 TIP3 7182 85.538 3.408 63.776 1.00 0.00 WT2 O ATOM 33716 H1 TIP3 7182 84.872 3.181 64.425 1.00 0.00 WT2 H ATOM 33717 H2 TIP3 7182 85.865 4.263 64.057 1.00 0.00 WT2 H ATOM 33718 OH2 TIP3 7183 69.480 23.300 61.535 1.00 0.00 WT2 O ATOM 33719 H1 TIP3 7183 69.504 22.347 61.455 1.00 0.00 WT2 H ATOM 33720 H2 TIP3 7183 69.154 23.458 62.421 1.00 0.00 WT2 H ATOM 33721 OH2 TIP3 7184 32.660 31.798 -15.393 1.00 0.00 WT2 O ATOM 33722 H1 TIP3 7184 33.352 32.137 -14.825 1.00 0.00 WT2 H ATOM 33723 H2 TIP3 7184 33.058 31.767 -16.263 1.00 0.00 WT2 H ATOM 33724 OH2 TIP3 7185 32.249 95.903 22.808 1.00 0.00 WT2 O ATOM 33725 H1 TIP3 7185 32.062 95.740 21.884 1.00 0.00 WT2 H ATOM 33726 H2 TIP3 7185 32.151 96.850 22.909 1.00 0.00 WT2 H ATOM 33727 OH2 TIP3 7186 73.250 6.431 -0.169 1.00 0.00 WT2 O ATOM 33728 H1 TIP3 7186 73.602 6.743 -1.003 1.00 0.00 WT2 H ATOM 33729 H2 TIP3 7186 73.068 5.503 -0.317 1.00 0.00 WT2 H ATOM 33730 OH2 TIP3 7187 65.082 55.170 -13.412 1.00 0.00 WT2 O ATOM 33731 H1 TIP3 7187 64.620 55.936 -13.072 1.00 0.00 WT2 H ATOM 33732 H2 TIP3 7187 65.867 55.527 -13.827 1.00 0.00 WT2 H ATOM 33733 OH2 TIP3 7188 78.533 19.184 58.459 1.00 0.00 WT2 O ATOM 33734 H1 TIP3 7188 78.865 18.842 57.629 1.00 0.00 WT2 H ATOM 33735 H2 TIP3 7188 79.319 19.408 58.958 1.00 0.00 WT2 H ATOM 33736 OH2 TIP3 7189 26.124 14.343 49.938 1.00 0.00 WT2 O ATOM 33737 H1 TIP3 7189 26.668 13.692 50.382 1.00 0.00 WT2 H ATOM 33738 H2 TIP3 7189 26.478 14.386 49.049 1.00 0.00 WT2 H ATOM 33739 OH2 TIP3 7200 64.818 4.567 23.671 1.00 0.00 WT2 O ATOM 33740 H1 TIP3 7200 63.929 4.588 23.317 1.00 0.00 WT2 H ATOM 33741 H2 TIP3 7200 64.699 4.432 24.611 1.00 0.00 WT2 H ATOM 33742 OH2 TIP3 7203 73.383 61.412 44.261 1.00 0.00 WT2 O ATOM 33743 H1 TIP3 7203 73.496 61.414 45.212 1.00 0.00 WT2 H ATOM 33744 H2 TIP3 7203 72.971 60.569 44.071 1.00 0.00 WT2 H ATOM 33745 OH2 TIP3 7206 64.279 66.892 -19.578 1.00 0.00 WT2 O ATOM 33746 H1 TIP3 7206 64.589 66.281 -20.246 1.00 0.00 WT2 H ATOM 33747 H2 TIP3 7206 64.793 66.677 -18.799 1.00 0.00 WT2 H ATOM 33748 OH2 TIP3 7207 79.235 34.935 37.387 1.00 0.00 WT2 O ATOM 33749 H1 TIP3 7207 79.655 35.177 38.212 1.00 0.00 WT2 H ATOM 33750 H2 TIP3 7207 79.708 34.154 37.097 1.00 0.00 WT2 H ATOM 33751 OH2 TIP3 7210 54.069 90.441 -14.756 1.00 0.00 WT2 O ATOM 33752 H1 TIP3 7210 54.644 89.762 -15.110 1.00 0.00 WT2 H ATOM 33753 H2 TIP3 7210 54.516 90.747 -13.967 1.00 0.00 WT2 H ATOM 33754 OH2 TIP3 7211 84.829 19.383 58.445 1.00 0.00 WT2 O ATOM 33755 H1 TIP3 7211 84.868 20.330 58.581 1.00 0.00 WT2 H ATOM 33756 H2 TIP3 7211 84.071 19.253 57.876 1.00 0.00 WT2 H ATOM 33757 OH2 TIP3 7212 48.940 53.517 -1.275 1.00 0.00 WT2 O ATOM 33758 H1 TIP3 7212 48.957 54.205 -0.610 1.00 0.00 WT2 H ATOM 33759 H2 TIP3 7212 48.141 53.025 -1.091 1.00 0.00 WT2 H ATOM 33760 OH2 TIP3 7213 21.628 18.464 44.896 1.00 0.00 WT2 O ATOM 33761 H1 TIP3 7213 20.690 18.652 44.924 1.00 0.00 WT2 H ATOM 33762 H2 TIP3 7213 22.038 19.314 44.734 1.00 0.00 WT2 H ATOM 33763 OH2 TIP3 7222 85.673 92.840 3.421 1.00 0.00 WT2 O ATOM 33764 H1 TIP3 7222 85.655 92.923 4.375 1.00 0.00 WT2 H ATOM 33765 H2 TIP3 7222 84.804 93.124 3.139 1.00 0.00 WT2 H ATOM 33766 OH2 TIP3 7226 25.540 31.755 64.438 1.00 0.00 WT2 O ATOM 33767 H1 TIP3 7226 25.797 31.557 65.339 1.00 0.00 WT2 H ATOM 33768 H2 TIP3 7226 25.240 32.663 64.468 1.00 0.00 WT2 H ATOM 33769 OH2 TIP3 7227 51.537 21.931 31.266 1.00 0.00 WT2 O ATOM 33770 H1 TIP3 7227 52.300 21.837 30.696 1.00 0.00 WT2 H ATOM 33771 H2 TIP3 7227 50.946 21.228 30.993 1.00 0.00 WT2 H ATOM 33772 OH2 TIP3 7228 20.270 9.793 -13.303 1.00 0.00 WT2 O ATOM 33773 H1 TIP3 7228 20.913 10.422 -13.629 1.00 0.00 WT2 H ATOM 33774 H2 TIP3 7228 20.154 10.023 -12.381 1.00 0.00 WT2 H ATOM 33775 OH2 TIP3 7229 61.786 54.412 57.790 1.00 0.00 WT2 O ATOM 33776 H1 TIP3 7229 61.225 53.637 57.756 1.00 0.00 WT2 H ATOM 33777 H2 TIP3 7229 61.352 55.047 57.221 1.00 0.00 WT2 H ATOM 33778 OH2 TIP3 7230 32.639 23.782 -4.326 1.00 0.00 WT2 O ATOM 33779 H1 TIP3 7230 32.154 23.396 -5.055 1.00 0.00 WT2 H ATOM 33780 H2 TIP3 7230 33.554 23.568 -4.506 1.00 0.00 WT2 H ATOM 33781 OH2 TIP3 7246 42.510 42.042 27.005 1.00 0.00 WT2 O ATOM 33782 H1 TIP3 7246 43.103 42.017 27.757 1.00 0.00 WT2 H ATOM 33783 H2 TIP3 7246 42.954 42.604 26.369 1.00 0.00 WT2 H ATOM 33784 OH2 TIP3 7247 62.612 95.336 -16.630 1.00 0.00 WT2 O ATOM 33785 H1 TIP3 7247 63.424 94.930 -16.934 1.00 0.00 WT2 H ATOM 33786 H2 TIP3 7247 62.560 96.160 -17.114 1.00 0.00 WT2 H ATOM 33787 OH2 TIP3 7248 75.734 18.643 63.786 1.00 0.00 WT2 O ATOM 33788 H1 TIP3 7248 76.017 17.763 64.035 1.00 0.00 WT2 H ATOM 33789 H2 TIP3 7248 74.797 18.553 63.612 1.00 0.00 WT2 H ATOM 33790 OH2 TIP3 7249 26.108 35.975 39.814 1.00 0.00 WT2 O ATOM 33791 H1 TIP3 7249 26.168 36.733 40.395 1.00 0.00 WT2 H ATOM 33792 H2 TIP3 7249 25.899 36.345 38.956 1.00 0.00 WT2 H ATOM 33793 OH2 TIP3 7250 78.918 93.542 63.891 1.00 0.00 WT2 O ATOM 33794 H1 TIP3 7250 78.351 94.142 63.406 1.00 0.00 WT2 H ATOM 33795 H2 TIP3 7250 79.417 94.107 64.481 1.00 0.00 WT2 H ATOM 33796 OH2 TIP3 7251 43.196 27.546 43.259 1.00 0.00 WT2 O ATOM 33797 H1 TIP3 7251 43.825 28.266 43.305 1.00 0.00 WT2 H ATOM 33798 H2 TIP3 7251 43.010 27.449 42.325 1.00 0.00 WT2 H ATOM 33799 OH2 TIP3 7253 57.386 94.767 40.353 1.00 0.00 WT2 O ATOM 33800 H1 TIP3 7253 56.821 94.679 39.586 1.00 0.00 WT2 H ATOM 33801 H2 TIP3 7253 58.003 94.038 40.281 1.00 0.00 WT2 H ATOM 33802 OH2 TIP3 7254 55.636 93.874 66.309 1.00 0.00 WT2 O ATOM 33803 H1 TIP3 7254 55.506 92.930 66.218 1.00 0.00 WT2 H ATOM 33804 H2 TIP3 7254 54.759 94.246 66.219 1.00 0.00 WT2 H ATOM 33805 OH2 TIP3 7264 53.451 42.060 -9.873 1.00 0.00 WT2 O ATOM 33806 H1 TIP3 7264 53.749 42.347 -9.010 1.00 0.00 WT2 H ATOM 33807 H2 TIP3 7264 52.532 41.827 -9.744 1.00 0.00 WT2 H ATOM 33808 OH2 TIP3 7267 77.978 64.070 38.708 1.00 0.00 WT2 O ATOM 33809 H1 TIP3 7267 77.451 64.623 38.131 1.00 0.00 WT2 H ATOM 33810 H2 TIP3 7267 77.395 63.859 39.437 1.00 0.00 WT2 H ATOM 33811 OH2 TIP3 7268 37.967 49.393 57.755 1.00 0.00 WT2 O ATOM 33812 H1 TIP3 7268 37.392 50.158 57.751 1.00 0.00 WT2 H ATOM 33813 H2 TIP3 7268 38.417 49.426 56.911 1.00 0.00 WT2 H ATOM 33814 OH2 TIP3 7269 74.125 11.340 36.705 1.00 0.00 WT2 O ATOM 33815 H1 TIP3 7269 74.829 11.706 36.170 1.00 0.00 WT2 H ATOM 33816 H2 TIP3 7269 74.219 11.770 37.554 1.00 0.00 WT2 H ATOM 33817 OH2 TIP3 7270 33.375 22.683 50.385 1.00 0.00 WT2 O ATOM 33818 H1 TIP3 7270 33.240 23.626 50.478 1.00 0.00 WT2 H ATOM 33819 H2 TIP3 7270 34.241 22.526 50.763 1.00 0.00 WT2 H ATOM 33820 OH2 TIP3 7271 88.046 65.862 -19.164 1.00 0.00 WT2 O ATOM 33821 H1 TIP3 7271 87.265 65.764 -18.619 1.00 0.00 WT2 H ATOM 33822 H2 TIP3 7271 88.746 66.069 -18.544 1.00 0.00 WT2 H ATOM 33823 OH2 TIP3 7272 53.692 23.064 14.587 1.00 0.00 WT2 O ATOM 33824 H1 TIP3 7272 53.079 22.485 15.040 1.00 0.00 WT2 H ATOM 33825 H2 TIP3 7272 53.633 23.894 15.060 1.00 0.00 WT2 H ATOM 33826 OH2 TIP3 7273 28.985 49.688 12.512 1.00 0.00 WT2 O ATOM 33827 H1 TIP3 7273 29.797 50.144 12.736 1.00 0.00 WT2 H ATOM 33828 H2 TIP3 7273 28.479 50.331 12.015 1.00 0.00 WT2 H ATOM 33829 OH2 TIP3 7276 90.229 81.484 -7.503 1.00 0.00 WT2 O ATOM 33830 H1 TIP3 7276 89.355 81.762 -7.229 1.00 0.00 WT2 H ATOM 33831 H2 TIP3 7276 90.293 80.574 -7.214 1.00 0.00 WT2 H ATOM 33832 OH2 TIP3 7287 77.341 11.293 -10.439 1.00 0.00 WT2 O ATOM 33833 H1 TIP3 7287 77.300 12.187 -10.101 1.00 0.00 WT2 H ATOM 33834 H2 TIP3 7287 78.217 10.986 -10.202 1.00 0.00 WT2 H ATOM 33835 OH2 TIP3 7291 84.600 25.594 3.642 1.00 0.00 WT2 O ATOM 33836 H1 TIP3 7291 84.576 24.998 4.391 1.00 0.00 WT2 H ATOM 33837 H2 TIP3 7291 85.530 25.676 3.432 1.00 0.00 WT2 H ATOM 33838 OH2 TIP3 7293 52.256 29.994 -13.572 1.00 0.00 WT2 O ATOM 33839 H1 TIP3 7293 51.763 30.813 -13.623 1.00 0.00 WT2 H ATOM 33840 H2 TIP3 7293 51.597 29.310 -13.692 1.00 0.00 WT2 H ATOM 33841 OH2 TIP3 7294 44.478 31.715 67.055 1.00 0.00 WT2 O ATOM 33842 H1 TIP3 7294 43.937 32.287 66.510 1.00 0.00 WT2 H ATOM 33843 H2 TIP3 7294 44.242 31.946 67.953 1.00 0.00 WT2 H ATOM 33844 OH2 TIP3 7297 35.885 9.209 -9.749 1.00 0.00 WT2 O ATOM 33845 H1 TIP3 7297 35.672 9.190 -10.682 1.00 0.00 WT2 H ATOM 33846 H2 TIP3 7297 36.841 9.248 -9.722 1.00 0.00 WT2 H ATOM 33847 OH2 TIP3 7307 25.369 25.948 34.755 1.00 0.00 WT2 O ATOM 33848 H1 TIP3 7307 25.050 25.858 33.857 1.00 0.00 WT2 H ATOM 33849 H2 TIP3 7307 25.358 25.057 35.104 1.00 0.00 WT2 H ATOM 33850 OH2 TIP3 7310 72.046 25.426 43.838 1.00 0.00 WT2 O ATOM 33851 H1 TIP3 7310 71.971 26.193 43.271 1.00 0.00 WT2 H ATOM 33852 H2 TIP3 7310 71.776 24.692 43.286 1.00 0.00 WT2 H ATOM 33853 OH2 TIP3 7311 80.891 13.197 44.712 1.00 0.00 WT2 O ATOM 33854 H1 TIP3 7311 81.313 13.109 45.567 1.00 0.00 WT2 H ATOM 33855 H2 TIP3 7311 81.003 14.120 44.483 1.00 0.00 WT2 H ATOM 33856 OH2 TIP3 7312 41.948 38.727 51.150 1.00 0.00 WT2 O ATOM 33857 H1 TIP3 7312 41.968 39.261 50.356 1.00 0.00 WT2 H ATOM 33858 H2 TIP3 7312 41.036 38.449 51.230 1.00 0.00 WT2 H ATOM 33859 OH2 TIP3 7313 87.721 94.409 43.627 1.00 0.00 WT2 O ATOM 33860 H1 TIP3 7313 87.148 94.088 42.931 1.00 0.00 WT2 H ATOM 33861 H2 TIP3 7313 87.831 95.341 43.436 1.00 0.00 WT2 H ATOM 33862 OH2 TIP3 7314 30.308 15.410 0.862 1.00 0.00 WT2 O ATOM 33863 H1 TIP3 7314 31.077 15.958 1.018 1.00 0.00 WT2 H ATOM 33864 H2 TIP3 7314 30.666 14.574 0.564 1.00 0.00 WT2 H ATOM 33865 OH2 TIP3 7315 79.497 60.941 28.406 1.00 0.00 WT2 O ATOM 33866 H1 TIP3 7315 79.591 61.785 27.963 1.00 0.00 WT2 H ATOM 33867 H2 TIP3 7315 78.853 61.103 29.095 1.00 0.00 WT2 H ATOM 33868 OH2 TIP3 7328 78.943 13.978 -2.098 1.00 0.00 WT2 O ATOM 33869 H1 TIP3 7328 78.290 14.488 -2.577 1.00 0.00 WT2 H ATOM 33870 H2 TIP3 7328 78.873 14.287 -1.195 1.00 0.00 WT2 H ATOM 33871 OH2 TIP3 7331 51.730 49.658 -19.089 1.00 0.00 WT2 O ATOM 33872 H1 TIP3 7331 51.644 49.751 -20.037 1.00 0.00 WT2 H ATOM 33873 H2 TIP3 7331 50.848 49.816 -18.751 1.00 0.00 WT2 H ATOM 33874 OH2 TIP3 7333 89.542 31.660 -11.913 1.00 0.00 WT2 O ATOM 33875 H1 TIP3 7333 89.281 30.753 -11.752 1.00 0.00 WT2 H ATOM 33876 H2 TIP3 7333 90.058 31.622 -12.718 1.00 0.00 WT2 H ATOM 33877 OH2 TIP3 7334 82.226 61.828 24.858 1.00 0.00 WT2 O ATOM 33878 H1 TIP3 7334 81.292 61.630 24.789 1.00 0.00 WT2 H ATOM 33879 H2 TIP3 7334 82.647 60.971 24.929 1.00 0.00 WT2 H ATOM 33880 OH2 TIP3 7335 46.363 33.023 63.707 1.00 0.00 WT2 O ATOM 33881 H1 TIP3 7335 47.268 33.189 63.444 1.00 0.00 WT2 H ATOM 33882 H2 TIP3 7335 46.366 33.133 64.658 1.00 0.00 WT2 H ATOM 33883 OH2 TIP3 7336 29.305 24.737 -9.103 1.00 0.00 WT2 O ATOM 33884 H1 TIP3 7336 29.178 25.665 -9.301 1.00 0.00 WT2 H ATOM 33885 H2 TIP3 7336 29.331 24.697 -8.147 1.00 0.00 WT2 H ATOM 33886 OH2 TIP3 7339 65.780 40.337 52.181 1.00 0.00 WT2 O ATOM 33887 H1 TIP3 7339 65.850 39.849 51.360 1.00 0.00 WT2 H ATOM 33888 H2 TIP3 7339 65.040 39.935 52.637 1.00 0.00 WT2 H ATOM 33889 OH2 TIP3 7351 68.776 29.295 62.716 1.00 0.00 WT2 O ATOM 33890 H1 TIP3 7351 69.265 29.304 61.893 1.00 0.00 WT2 H ATOM 33891 H2 TIP3 7351 69.348 28.835 63.331 1.00 0.00 WT2 H ATOM 33892 OH2 TIP3 7352 79.058 78.044 0.588 1.00 0.00 WT2 O ATOM 33893 H1 TIP3 7352 78.986 77.221 0.104 1.00 0.00 WT2 H ATOM 33894 H2 TIP3 7352 78.550 78.670 0.072 1.00 0.00 WT2 H ATOM 33895 OH2 TIP3 7353 39.383 96.707 56.500 1.00 0.00 WT2 O ATOM 33896 H1 TIP3 7353 39.572 96.252 55.680 1.00 0.00 WT2 H ATOM 33897 H2 TIP3 7353 38.562 96.320 56.805 1.00 0.00 WT2 H ATOM 33898 OH2 TIP3 7354 30.100 16.416 55.456 1.00 0.00 WT2 O ATOM 33899 H1 TIP3 7354 29.790 15.866 54.736 1.00 0.00 WT2 H ATOM 33900 H2 TIP3 7354 31.044 16.487 55.314 1.00 0.00 WT2 H ATOM 33901 OH2 TIP3 7355 88.663 10.220 48.962 1.00 0.00 WT2 O ATOM 33902 H1 TIP3 7355 88.864 9.779 48.136 1.00 0.00 WT2 H ATOM 33903 H2 TIP3 7355 89.513 10.328 49.389 1.00 0.00 WT2 H ATOM 33904 OH2 TIP3 7356 48.439 44.365 -11.411 1.00 0.00 WT2 O ATOM 33905 H1 TIP3 7356 47.774 43.678 -11.442 1.00 0.00 WT2 H ATOM 33906 H2 TIP3 7356 49.267 43.904 -11.540 1.00 0.00 WT2 H ATOM 33907 OH2 TIP3 7357 42.721 34.367 59.181 1.00 0.00 WT2 O ATOM 33908 H1 TIP3 7357 43.364 34.842 58.655 1.00 0.00 WT2 H ATOM 33909 H2 TIP3 7357 42.253 35.049 59.662 1.00 0.00 WT2 H ATOM 33910 OH2 TIP3 7359 45.091 60.910 -17.635 1.00 0.00 WT2 O ATOM 33911 H1 TIP3 7359 45.719 60.998 -16.918 1.00 0.00 WT2 H ATOM 33912 H2 TIP3 7359 45.580 61.172 -18.415 1.00 0.00 WT2 H ATOM 33913 OH2 TIP3 7370 24.368 42.595 -15.916 1.00 0.00 WT2 O ATOM 33914 H1 TIP3 7370 24.617 41.769 -15.500 1.00 0.00 WT2 H ATOM 33915 H2 TIP3 7370 25.176 42.913 -16.318 1.00 0.00 WT2 H ATOM 33916 OH2 TIP3 7371 88.534 21.470 -5.258 1.00 0.00 WT2 O ATOM 33917 H1 TIP3 7371 87.716 21.621 -4.784 1.00 0.00 WT2 H ATOM 33918 H2 TIP3 7371 89.107 21.045 -4.621 1.00 0.00 WT2 H ATOM 33919 OH2 TIP3 7374 23.744 62.796 63.276 1.00 0.00 WT2 O ATOM 33920 H1 TIP3 7374 23.791 62.421 64.155 1.00 0.00 WT2 H ATOM 33921 H2 TIP3 7374 23.138 62.225 62.804 1.00 0.00 WT2 H ATOM 33922 OH2 TIP3 7376 56.525 49.483 -3.146 1.00 0.00 WT2 O ATOM 33923 H1 TIP3 7376 56.345 49.427 -2.207 1.00 0.00 WT2 H ATOM 33924 H2 TIP3 7376 55.840 50.057 -3.488 1.00 0.00 WT2 H ATOM 33925 OH2 TIP3 7378 57.157 10.119 51.226 1.00 0.00 WT2 O ATOM 33926 H1 TIP3 7378 57.183 10.336 52.158 1.00 0.00 WT2 H ATOM 33927 H2 TIP3 7378 58.077 10.065 50.967 1.00 0.00 WT2 H ATOM 33928 OH2 TIP3 7379 52.598 23.776 48.661 1.00 0.00 WT2 O ATOM 33929 H1 TIP3 7379 51.726 23.490 48.389 1.00 0.00 WT2 H ATOM 33930 H2 TIP3 7379 53.122 22.975 48.667 1.00 0.00 WT2 H ATOM 33931 OH2 TIP3 7380 65.624 90.825 4.036 1.00 0.00 WT2 O ATOM 33932 H1 TIP3 7380 64.733 90.483 3.967 1.00 0.00 WT2 H ATOM 33933 H2 TIP3 7380 66.036 90.590 3.205 1.00 0.00 WT2 H ATOM 33934 OH2 TIP3 7382 21.059 76.482 65.432 1.00 0.00 WT2 O ATOM 33935 H1 TIP3 7382 21.943 76.354 65.775 1.00 0.00 WT2 H ATOM 33936 H2 TIP3 7382 21.014 77.415 65.223 1.00 0.00 WT2 H ATOM 33937 OH2 TIP3 7393 21.297 24.373 50.466 1.00 0.00 WT2 O ATOM 33938 H1 TIP3 7393 20.841 23.537 50.375 1.00 0.00 WT2 H ATOM 33939 H2 TIP3 7393 22.094 24.161 50.951 1.00 0.00 WT2 H ATOM 33940 OH2 TIP3 7394 25.181 65.741 -17.374 1.00 0.00 WT2 O ATOM 33941 H1 TIP3 7394 26.107 65.693 -17.610 1.00 0.00 WT2 H ATOM 33942 H2 TIP3 7394 24.949 64.846 -17.127 1.00 0.00 WT2 H ATOM 33943 OH2 TIP3 7395 43.814 35.213 3.562 1.00 0.00 WT2 O ATOM 33944 H1 TIP3 7395 43.515 34.927 4.425 1.00 0.00 WT2 H ATOM 33945 H2 TIP3 7395 44.509 35.845 3.746 1.00 0.00 WT2 H ATOM 33946 OH2 TIP3 7396 79.321 60.748 24.956 1.00 0.00 WT2 O ATOM 33947 H1 TIP3 7396 79.212 61.049 25.858 1.00 0.00 WT2 H ATOM 33948 H2 TIP3 7396 78.430 60.704 24.609 1.00 0.00 WT2 H ATOM 33949 OH2 TIP3 7397 42.378 40.238 54.288 1.00 0.00 WT2 O ATOM 33950 H1 TIP3 7397 41.747 40.833 53.884 1.00 0.00 WT2 H ATOM 33951 H2 TIP3 7397 43.233 40.588 54.037 1.00 0.00 WT2 H ATOM 33952 OH2 TIP3 7398 31.302 85.759 65.227 1.00 0.00 WT2 O ATOM 33953 H1 TIP3 7398 32.061 85.213 65.435 1.00 0.00 WT2 H ATOM 33954 H2 TIP3 7398 30.623 85.466 65.835 1.00 0.00 WT2 H ATOM 33955 OH2 TIP3 7399 62.553 64.664 53.843 1.00 0.00 WT2 O ATOM 33956 H1 TIP3 7399 62.404 64.261 54.699 1.00 0.00 WT2 H ATOM 33957 H2 TIP3 7399 62.580 63.927 53.232 1.00 0.00 WT2 H ATOM 33958 OH2 TIP3 7400 68.393 61.007 11.602 1.00 0.00 WT2 O ATOM 33959 H1 TIP3 7400 68.404 60.062 11.755 1.00 0.00 WT2 H ATOM 33960 H2 TIP3 7400 68.090 61.381 12.429 1.00 0.00 WT2 H ATOM 33961 OH2 TIP3 7415 86.631 82.677 -16.390 1.00 0.00 WT2 O ATOM 33962 H1 TIP3 7415 86.206 81.867 -16.671 1.00 0.00 WT2 H ATOM 33963 H2 TIP3 7415 86.807 82.545 -15.459 1.00 0.00 WT2 H ATOM 33964 OH2 TIP3 7416 78.380 14.527 64.377 1.00 0.00 WT2 O ATOM 33965 H1 TIP3 7416 78.219 13.608 64.167 1.00 0.00 WT2 H ATOM 33966 H2 TIP3 7416 78.520 14.536 65.324 1.00 0.00 WT2 H ATOM 33967 OH2 TIP3 7418 25.202 17.602 -15.601 1.00 0.00 WT2 O ATOM 33968 H1 TIP3 7418 25.852 18.304 -15.639 1.00 0.00 WT2 H ATOM 33969 H2 TIP3 7418 24.698 17.697 -16.409 1.00 0.00 WT2 H ATOM 33970 OH2 TIP3 7419 39.573 34.943 53.777 1.00 0.00 WT2 O ATOM 33971 H1 TIP3 7419 39.544 34.926 52.820 1.00 0.00 WT2 H ATOM 33972 H2 TIP3 7419 40.397 34.509 54.000 1.00 0.00 WT2 H ATOM 33973 OH2 TIP3 7420 69.938 31.109 47.109 1.00 0.00 WT2 O ATOM 33974 H1 TIP3 7420 69.168 30.559 46.961 1.00 0.00 WT2 H ATOM 33975 H2 TIP3 7420 69.623 32.003 46.978 1.00 0.00 WT2 H ATOM 33976 OH2 TIP3 7421 41.068 18.767 58.813 1.00 0.00 WT2 O ATOM 33977 H1 TIP3 7421 41.264 18.951 57.895 1.00 0.00 WT2 H ATOM 33978 H2 TIP3 7421 40.178 18.417 58.803 1.00 0.00 WT2 H ATOM 33979 OH2 TIP3 7422 31.345 18.276 57.407 1.00 0.00 WT2 O ATOM 33980 H1 TIP3 7422 31.415 17.349 57.636 1.00 0.00 WT2 H ATOM 33981 H2 TIP3 7422 30.471 18.531 57.704 1.00 0.00 WT2 H ATOM 33982 OH2 TIP3 7434 30.271 61.233 -7.404 1.00 0.00 WT2 O ATOM 33983 H1 TIP3 7434 29.857 60.707 -6.721 1.00 0.00 WT2 H ATOM 33984 H2 TIP3 7434 30.454 60.611 -8.108 1.00 0.00 WT2 H ATOM 33985 OH2 TIP3 7435 40.282 94.391 -6.672 1.00 0.00 WT2 O ATOM 33986 H1 TIP3 7435 40.848 94.337 -7.443 1.00 0.00 WT2 H ATOM 33987 H2 TIP3 7435 39.484 93.929 -6.927 1.00 0.00 WT2 H ATOM 33988 OH2 TIP3 7437 20.884 15.219 3.189 1.00 0.00 WT2 O ATOM 33989 H1 TIP3 7437 21.483 14.519 3.447 1.00 0.00 WT2 H ATOM 33990 H2 TIP3 7437 20.046 14.977 3.585 1.00 0.00 WT2 H ATOM 33991 OH2 TIP3 7438 47.811 22.983 33.090 1.00 0.00 WT2 O ATOM 33992 H1 TIP3 7438 47.871 22.664 32.189 1.00 0.00 WT2 H ATOM 33993 H2 TIP3 7438 48.123 22.253 33.624 1.00 0.00 WT2 H ATOM 33994 OH2 TIP3 7439 87.260 93.394 -12.706 1.00 0.00 WT2 O ATOM 33995 H1 TIP3 7439 87.849 93.078 -12.021 1.00 0.00 WT2 H ATOM 33996 H2 TIP3 7439 87.407 92.798 -13.441 1.00 0.00 WT2 H ATOM 33997 OH2 TIP3 7440 47.580 5.314 18.084 1.00 0.00 WT2 O ATOM 33998 H1 TIP3 7440 47.191 5.996 17.537 1.00 0.00 WT2 H ATOM 33999 H2 TIP3 7440 47.341 4.494 17.652 1.00 0.00 WT2 H ATOM 34000 OH2 TIP3 7441 36.140 28.161 32.809 1.00 0.00 WT2 O ATOM 34001 H1 TIP3 7441 36.252 27.490 33.483 1.00 0.00 WT2 H ATOM 34002 H2 TIP3 7441 36.978 28.178 32.346 1.00 0.00 WT2 H ATOM 34003 OH2 TIP3 7443 64.831 74.068 55.185 1.00 0.00 WT2 O ATOM 34004 H1 TIP3 7443 64.785 74.813 55.784 1.00 0.00 WT2 H ATOM 34005 H2 TIP3 7443 65.768 73.929 55.047 1.00 0.00 WT2 H ATOM 34006 OH2 TIP3 7454 85.620 59.981 44.767 1.00 0.00 WT2 O ATOM 34007 H1 TIP3 7454 86.395 59.454 44.960 1.00 0.00 WT2 H ATOM 34008 H2 TIP3 7454 84.883 59.392 44.927 1.00 0.00 WT2 H ATOM 34009 OH2 TIP3 7455 81.425 10.043 57.081 1.00 0.00 WT2 O ATOM 34010 H1 TIP3 7455 81.593 10.982 57.005 1.00 0.00 WT2 H ATOM 34011 H2 TIP3 7455 82.220 9.689 57.480 1.00 0.00 WT2 H ATOM 34012 OH2 TIP3 7457 84.030 58.545 20.125 1.00 0.00 WT2 O ATOM 34013 H1 TIP3 7457 83.293 58.453 20.729 1.00 0.00 WT2 H ATOM 34014 H2 TIP3 7457 84.081 59.485 19.950 1.00 0.00 WT2 H ATOM 34015 OH2 TIP3 7461 67.712 25.069 -3.075 1.00 0.00 WT2 O ATOM 34016 H1 TIP3 7461 67.733 25.857 -2.533 1.00 0.00 WT2 H ATOM 34017 H2 TIP3 7461 67.825 24.348 -2.454 1.00 0.00 WT2 H ATOM 34018 OH2 TIP3 7463 22.960 22.557 48.095 1.00 0.00 WT2 O ATOM 34019 H1 TIP3 7463 23.600 21.920 47.776 1.00 0.00 WT2 H ATOM 34020 H2 TIP3 7463 23.257 22.773 48.980 1.00 0.00 WT2 H ATOM 34021 OH2 TIP3 7475 27.170 69.380 35.150 1.00 0.00 WT2 O ATOM 34022 H1 TIP3 7475 27.793 68.823 34.683 1.00 0.00 WT2 H ATOM 34023 H2 TIP3 7475 26.586 69.710 34.468 1.00 0.00 WT2 H ATOM 34024 OH2 TIP3 7477 59.806 18.943 51.413 1.00 0.00 WT2 O ATOM 34025 H1 TIP3 7477 59.675 18.029 51.160 1.00 0.00 WT2 H ATOM 34026 H2 TIP3 7477 59.860 19.417 50.583 1.00 0.00 WT2 H ATOM 34027 OH2 TIP3 7479 26.197 55.221 35.512 1.00 0.00 WT2 O ATOM 34028 H1 TIP3 7479 25.259 55.223 35.319 1.00 0.00 WT2 H ATOM 34029 H2 TIP3 7479 26.611 55.495 34.693 1.00 0.00 WT2 H ATOM 34030 OH2 TIP3 7480 58.715 15.622 35.210 1.00 0.00 WT2 O ATOM 34031 H1 TIP3 7480 58.708 16.536 35.493 1.00 0.00 WT2 H ATOM 34032 H2 TIP3 7480 58.984 15.657 34.292 1.00 0.00 WT2 H ATOM 34033 OH2 TIP3 7481 87.672 64.726 -13.732 1.00 0.00 WT2 O ATOM 34034 H1 TIP3 7481 87.512 65.296 -14.484 1.00 0.00 WT2 H ATOM 34035 H2 TIP3 7481 87.382 65.239 -12.977 1.00 0.00 WT2 H ATOM 34036 OH2 TIP3 7489 28.021 74.746 -1.239 1.00 0.00 WT2 O ATOM 34037 H1 TIP3 7489 28.651 75.176 -0.660 1.00 0.00 WT2 H ATOM 34038 H2 TIP3 7489 28.343 73.848 -1.320 1.00 0.00 WT2 H ATOM 34039 OH2 TIP3 7493 83.777 9.000 58.323 1.00 0.00 WT2 O ATOM 34040 H1 TIP3 7493 83.777 9.752 58.916 1.00 0.00 WT2 H ATOM 34041 H2 TIP3 7493 84.326 9.273 57.589 1.00 0.00 WT2 H ATOM 34042 OH2 TIP3 7496 88.263 79.439 -8.811 1.00 0.00 WT2 O ATOM 34043 H1 TIP3 7496 88.721 78.907 -8.160 1.00 0.00 WT2 H ATOM 34044 H2 TIP3 7496 88.097 80.271 -8.368 1.00 0.00 WT2 H ATOM 34045 OH2 TIP3 7498 65.182 23.605 32.162 1.00 0.00 WT2 O ATOM 34046 H1 TIP3 7498 65.029 24.531 32.352 1.00 0.00 WT2 H ATOM 34047 H2 TIP3 7498 66.026 23.413 32.570 1.00 0.00 WT2 H ATOM 34048 OH2 TIP3 7499 65.837 85.433 57.933 1.00 0.00 WT2 O ATOM 34049 H1 TIP3 7499 65.678 84.507 58.112 1.00 0.00 WT2 H ATOM 34050 H2 TIP3 7499 65.500 85.568 57.048 1.00 0.00 WT2 H ATOM 34051 OH2 TIP3 7500 80.643 88.976 62.560 1.00 0.00 WT2 O ATOM 34052 H1 TIP3 7500 80.308 88.598 61.747 1.00 0.00 WT2 H ATOM 34053 H2 TIP3 7500 80.363 88.365 63.242 1.00 0.00 WT2 H ATOM 34054 OH2 TIP3 7501 90.015 89.475 54.890 1.00 0.00 WT2 O ATOM 34055 H1 TIP3 7501 89.763 90.370 55.117 1.00 0.00 WT2 H ATOM 34056 H2 TIP3 7501 90.876 89.358 55.292 1.00 0.00 WT2 H ATOM 34057 OH2 TIP3 7502 23.523 65.627 -2.094 1.00 0.00 WT2 O ATOM 34058 H1 TIP3 7502 22.842 65.117 -2.533 1.00 0.00 WT2 H ATOM 34059 H2 TIP3 7502 24.103 64.971 -1.708 1.00 0.00 WT2 H ATOM 34060 OH2 TIP3 7503 38.509 20.865 66.624 1.00 0.00 WT2 O ATOM 34061 H1 TIP3 7503 39.211 20.887 67.274 1.00 0.00 WT2 H ATOM 34062 H2 TIP3 7503 38.942 21.070 65.796 1.00 0.00 WT2 H ATOM 34063 OH2 TIP3 7504 82.159 25.470 -3.413 1.00 0.00 WT2 O ATOM 34064 H1 TIP3 7504 82.312 24.817 -2.730 1.00 0.00 WT2 H ATOM 34065 H2 TIP3 7504 81.515 25.064 -3.993 1.00 0.00 WT2 H ATOM 34066 OH2 TIP3 7510 55.563 36.845 7.546 1.00 0.00 WT2 O ATOM 34067 H1 TIP3 7510 55.761 37.692 7.946 1.00 0.00 WT2 H ATOM 34068 H2 TIP3 7510 54.903 36.457 8.121 1.00 0.00 WT2 H ATOM 34069 OH2 TIP3 7515 90.778 7.256 -2.483 1.00 0.00 WT2 O ATOM 34070 H1 TIP3 7515 89.860 6.992 -2.551 1.00 0.00 WT2 H ATOM 34071 H2 TIP3 7515 90.753 8.213 -2.486 1.00 0.00 WT2 H ATOM 34072 OH2 TIP3 7518 89.182 6.603 12.519 1.00 0.00 WT2 O ATOM 34073 H1 TIP3 7518 89.240 7.318 13.154 1.00 0.00 WT2 H ATOM 34074 H2 TIP3 7518 89.228 5.808 13.050 1.00 0.00 WT2 H ATOM 34075 OH2 TIP3 7519 25.789 31.550 42.955 1.00 0.00 WT2 O ATOM 34076 H1 TIP3 7519 25.710 31.598 42.002 1.00 0.00 WT2 H ATOM 34077 H2 TIP3 7519 26.185 30.694 43.120 1.00 0.00 WT2 H ATOM 34078 OH2 TIP3 7521 78.506 48.288 44.137 1.00 0.00 WT2 O ATOM 34079 H1 TIP3 7521 78.504 48.328 45.094 1.00 0.00 WT2 H ATOM 34080 H2 TIP3 7521 77.596 48.450 43.888 1.00 0.00 WT2 H ATOM 34081 OH2 TIP3 7522 35.634 82.282 -15.774 1.00 0.00 WT2 O ATOM 34082 H1 TIP3 7522 36.436 82.542 -15.322 1.00 0.00 WT2 H ATOM 34083 H2 TIP3 7522 35.525 82.935 -16.465 1.00 0.00 WT2 H ATOM 34084 OH2 TIP3 7523 71.539 10.334 56.986 1.00 0.00 WT2 O ATOM 34085 H1 TIP3 7523 70.776 10.048 57.488 1.00 0.00 WT2 H ATOM 34086 H2 TIP3 7523 72.288 9.971 57.459 1.00 0.00 WT2 H ATOM 34087 OH2 TIP3 7525 71.459 55.503 -16.406 1.00 0.00 WT2 O ATOM 34088 H1 TIP3 7525 72.275 55.763 -16.834 1.00 0.00 WT2 H ATOM 34089 H2 TIP3 7525 71.571 55.769 -15.493 1.00 0.00 WT2 H ATOM 34090 OH2 TIP3 7526 57.783 15.686 62.265 1.00 0.00 WT2 O ATOM 34091 H1 TIP3 7526 57.167 15.723 62.996 1.00 0.00 WT2 H ATOM 34092 H2 TIP3 7526 57.989 14.756 62.170 1.00 0.00 WT2 H ATOM 34093 OH2 TIP3 7541 60.827 78.124 -13.179 1.00 0.00 WT2 O ATOM 34094 H1 TIP3 7541 60.923 77.873 -12.260 1.00 0.00 WT2 H ATOM 34095 H2 TIP3 7541 61.718 78.326 -13.466 1.00 0.00 WT2 H ATOM 34096 OH2 TIP3 7543 86.047 69.137 41.382 1.00 0.00 WT2 O ATOM 34097 H1 TIP3 7543 86.503 69.601 40.679 1.00 0.00 WT2 H ATOM 34098 H2 TIP3 7543 85.334 68.674 40.942 1.00 0.00 WT2 H ATOM 34099 OH2 TIP3 7544 58.055 52.670 -0.172 1.00 0.00 WT2 O ATOM 34100 H1 TIP3 7544 58.824 52.151 -0.404 1.00 0.00 WT2 H ATOM 34101 H2 TIP3 7544 57.937 52.520 0.766 1.00 0.00 WT2 H ATOM 34102 OH2 TIP3 7545 70.554 40.829 20.107 1.00 0.00 WT2 O ATOM 34103 H1 TIP3 7545 70.302 41.286 19.304 1.00 0.00 WT2 H ATOM 34104 H2 TIP3 7545 70.253 39.930 19.976 1.00 0.00 WT2 H ATOM 34105 OH2 TIP3 7549 64.343 87.533 -1.367 1.00 0.00 WT2 O ATOM 34106 H1 TIP3 7549 64.887 87.199 -2.080 1.00 0.00 WT2 H ATOM 34107 H2 TIP3 7549 64.907 87.490 -0.595 1.00 0.00 WT2 H ATOM 34108 OH2 TIP3 7559 72.605 87.168 -1.538 1.00 0.00 WT2 O ATOM 34109 H1 TIP3 7559 73.179 87.860 -1.207 1.00 0.00 WT2 H ATOM 34110 H2 TIP3 7559 71.919 87.634 -2.017 1.00 0.00 WT2 H ATOM 34111 OH2 TIP3 7561 57.616 3.406 53.103 1.00 0.00 WT2 O ATOM 34112 H1 TIP3 7561 58.514 3.734 53.055 1.00 0.00 WT2 H ATOM 34113 H2 TIP3 7561 57.708 2.494 53.382 1.00 0.00 WT2 H ATOM 34114 OH2 TIP3 7563 82.443 5.624 52.042 1.00 0.00 WT2 O ATOM 34115 H1 TIP3 7563 82.948 5.110 51.411 1.00 0.00 WT2 H ATOM 34116 H2 TIP3 7563 81.921 6.219 51.503 1.00 0.00 WT2 H ATOM 34117 OH2 TIP3 7564 85.801 93.619 47.688 1.00 0.00 WT2 O ATOM 34118 H1 TIP3 7564 86.271 92.840 47.985 1.00 0.00 WT2 H ATOM 34119 H2 TIP3 7564 86.405 94.342 47.858 1.00 0.00 WT2 H ATOM 34120 OH2 TIP3 7565 47.075 84.240 47.932 1.00 0.00 WT2 O ATOM 34121 H1 TIP3 7565 47.966 83.998 47.679 1.00 0.00 WT2 H ATOM 34122 H2 TIP3 7565 46.807 83.557 48.547 1.00 0.00 WT2 H ATOM 34123 OH2 TIP3 7566 38.268 65.019 36.579 1.00 0.00 WT2 O ATOM 34124 H1 TIP3 7566 38.399 64.876 35.642 1.00 0.00 WT2 H ATOM 34125 H2 TIP3 7566 37.585 65.688 36.627 1.00 0.00 WT2 H ATOM 34126 OH2 TIP3 7567 40.128 8.731 -19.354 1.00 0.00 WT2 O ATOM 34127 H1 TIP3 7567 40.710 8.832 -20.107 1.00 0.00 WT2 H ATOM 34128 H2 TIP3 7567 39.737 7.864 -19.468 1.00 0.00 WT2 H ATOM 34129 OH2 TIP3 7582 44.654 26.545 65.712 1.00 0.00 WT2 O ATOM 34130 H1 TIP3 7582 45.473 26.712 66.180 1.00 0.00 WT2 H ATOM 34131 H2 TIP3 7582 44.050 27.211 66.041 1.00 0.00 WT2 H ATOM 34132 OH2 TIP3 7584 46.687 38.041 31.295 1.00 0.00 WT2 O ATOM 34133 H1 TIP3 7584 47.104 37.872 30.450 1.00 0.00 WT2 H ATOM 34134 H2 TIP3 7584 47.250 37.601 31.932 1.00 0.00 WT2 H ATOM 34135 OH2 TIP3 7586 71.448 84.743 -1.071 1.00 0.00 WT2 O ATOM 34136 H1 TIP3 7586 71.277 84.391 -1.944 1.00 0.00 WT2 H ATOM 34137 H2 TIP3 7586 71.729 85.645 -1.226 1.00 0.00 WT2 H ATOM 34138 OH2 TIP3 7587 66.430 50.804 -8.901 1.00 0.00 WT2 O ATOM 34139 H1 TIP3 7587 65.821 51.406 -8.474 1.00 0.00 WT2 H ATOM 34140 H2 TIP3 7587 66.100 49.933 -8.680 1.00 0.00 WT2 H ATOM 34141 OH2 TIP3 7594 30.619 34.338 3.903 1.00 0.00 WT2 O ATOM 34142 H1 TIP3 7594 30.920 34.736 3.087 1.00 0.00 WT2 H ATOM 34143 H2 TIP3 7594 31.043 33.480 3.923 1.00 0.00 WT2 H ATOM 34144 OH2 TIP3 7602 74.153 54.344 -4.074 1.00 0.00 WT2 O ATOM 34145 H1 TIP3 7602 74.498 55.232 -3.976 1.00 0.00 WT2 H ATOM 34146 H2 TIP3 7602 73.491 54.267 -3.387 1.00 0.00 WT2 H ATOM 34147 OH2 TIP3 7603 69.846 24.888 45.407 1.00 0.00 WT2 O ATOM 34148 H1 TIP3 7603 69.931 23.995 45.739 1.00 0.00 WT2 H ATOM 34149 H2 TIP3 7603 70.646 25.033 44.902 1.00 0.00 WT2 H ATOM 34150 OH2 TIP3 7605 88.593 16.798 61.390 1.00 0.00 WT2 O ATOM 34151 H1 TIP3 7605 89.444 17.194 61.203 1.00 0.00 WT2 H ATOM 34152 H2 TIP3 7605 88.780 15.865 61.493 1.00 0.00 WT2 H ATOM 34153 OH2 TIP3 7608 53.477 86.254 62.803 1.00 0.00 WT2 O ATOM 34154 H1 TIP3 7608 53.283 85.991 61.904 1.00 0.00 WT2 H ATOM 34155 H2 TIP3 7608 52.732 85.937 63.313 1.00 0.00 WT2 H ATOM 34156 OH2 TIP3 7612 76.499 73.452 44.229 1.00 0.00 WT2 O ATOM 34157 H1 TIP3 7612 77.215 72.957 43.831 1.00 0.00 WT2 H ATOM 34158 H2 TIP3 7612 75.853 72.788 44.469 1.00 0.00 WT2 H ATOM 34159 OH2 TIP3 7625 74.192 32.985 -0.475 1.00 0.00 WT2 O ATOM 34160 H1 TIP3 7625 74.333 32.910 0.468 1.00 0.00 WT2 H ATOM 34161 H2 TIP3 7625 73.485 33.625 -0.562 1.00 0.00 WT2 H ATOM 34162 OH2 TIP3 7626 27.852 6.562 -7.262 1.00 0.00 WT2 O ATOM 34163 H1 TIP3 7626 27.819 5.681 -7.635 1.00 0.00 WT2 H ATOM 34164 H2 TIP3 7626 28.135 7.119 -7.987 1.00 0.00 WT2 H ATOM 34165 OH2 TIP3 7628 43.170 18.433 49.948 1.00 0.00 WT2 O ATOM 34166 H1 TIP3 7628 43.381 18.791 49.086 1.00 0.00 WT2 H ATOM 34167 H2 TIP3 7628 42.832 17.556 49.768 1.00 0.00 WT2 H ATOM 34168 OH2 TIP3 7630 35.432 94.012 14.641 1.00 0.00 WT2 O ATOM 34169 H1 TIP3 7630 36.099 94.559 14.225 1.00 0.00 WT2 H ATOM 34170 H2 TIP3 7630 34.772 93.881 13.960 1.00 0.00 WT2 H ATOM 34171 OH2 TIP3 7631 31.766 34.388 -16.272 1.00 0.00 WT2 O ATOM 34172 H1 TIP3 7631 32.059 33.622 -15.777 1.00 0.00 WT2 H ATOM 34173 H2 TIP3 7631 30.845 34.490 -16.033 1.00 0.00 WT2 H ATOM 34174 OH2 TIP3 7643 70.051 83.583 -13.505 1.00 0.00 WT2 O ATOM 34175 H1 TIP3 7643 69.285 83.429 -14.058 1.00 0.00 WT2 H ATOM 34176 H2 TIP3 7643 70.263 84.507 -13.640 1.00 0.00 WT2 H ATOM 34177 OH2 TIP3 7644 27.492 68.783 14.080 1.00 0.00 WT2 O ATOM 34178 H1 TIP3 7644 26.570 68.787 14.337 1.00 0.00 WT2 H ATOM 34179 H2 TIP3 7644 27.960 69.085 14.859 1.00 0.00 WT2 H ATOM 34180 OH2 TIP3 7645 75.302 21.583 61.752 1.00 0.00 WT2 O ATOM 34181 H1 TIP3 7645 76.066 21.757 62.301 1.00 0.00 WT2 H ATOM 34182 H2 TIP3 7645 74.825 22.413 61.735 1.00 0.00 WT2 H ATOM 34183 OH2 TIP3 7646 37.078 32.383 45.645 1.00 0.00 WT2 O ATOM 34184 H1 TIP3 7646 36.681 33.043 46.214 1.00 0.00 WT2 H ATOM 34185 H2 TIP3 7646 36.907 32.697 44.757 1.00 0.00 WT2 H ATOM 34186 OH2 TIP3 7647 36.633 27.505 49.208 1.00 0.00 WT2 O ATOM 34187 H1 TIP3 7647 35.709 27.538 49.458 1.00 0.00 WT2 H ATOM 34188 H2 TIP3 7647 36.654 27.858 48.319 1.00 0.00 WT2 H ATOM 34189 OH2 TIP3 7648 74.450 62.132 19.329 1.00 0.00 WT2 O ATOM 34190 H1 TIP3 7648 74.692 61.905 18.431 1.00 0.00 WT2 H ATOM 34191 H2 TIP3 7648 74.830 63.000 19.467 1.00 0.00 WT2 H ATOM 34192 OH2 TIP3 7649 43.878 4.404 66.867 1.00 0.00 WT2 O ATOM 34193 H1 TIP3 7649 44.590 4.503 66.236 1.00 0.00 WT2 H ATOM 34194 H2 TIP3 7649 43.662 3.472 66.842 1.00 0.00 WT2 H ATOM 34195 OH2 TIP3 7650 37.261 24.392 64.474 1.00 0.00 WT2 O ATOM 34196 H1 TIP3 7650 37.207 23.965 65.329 1.00 0.00 WT2 H ATOM 34197 H2 TIP3 7650 36.352 24.460 64.182 1.00 0.00 WT2 H ATOM 34198 OH2 TIP3 7652 37.835 93.530 25.184 1.00 0.00 WT2 O ATOM 34199 H1 TIP3 7652 38.293 94.330 25.440 1.00 0.00 WT2 H ATOM 34200 H2 TIP3 7652 37.216 93.369 25.897 1.00 0.00 WT2 H ATOM 34201 OH2 TIP3 7653 56.289 36.286 -7.632 1.00 0.00 WT2 O ATOM 34202 H1 TIP3 7653 55.916 37.004 -8.142 1.00 0.00 WT2 H ATOM 34203 H2 TIP3 7653 57.230 36.336 -7.800 1.00 0.00 WT2 H ATOM 34204 OH2 TIP3 7663 78.367 33.105 44.029 1.00 0.00 WT2 O ATOM 34205 H1 TIP3 7663 79.007 33.130 44.741 1.00 0.00 WT2 H ATOM 34206 H2 TIP3 7663 77.735 32.438 44.299 1.00 0.00 WT2 H ATOM 34207 OH2 TIP3 7668 37.602 36.168 19.017 1.00 0.00 WT2 O ATOM 34208 H1 TIP3 7668 37.964 36.873 19.554 1.00 0.00 WT2 H ATOM 34209 H2 TIP3 7668 38.352 35.827 18.530 1.00 0.00 WT2 H ATOM 34210 OH2 TIP3 7669 89.813 68.824 22.530 1.00 0.00 WT2 O ATOM 34211 H1 TIP3 7669 88.905 68.524 22.566 1.00 0.00 WT2 H ATOM 34212 H2 TIP3 7669 90.303 68.065 22.212 1.00 0.00 WT2 H ATOM 34213 OH2 TIP3 7670 66.382 92.106 57.804 1.00 0.00 WT2 O ATOM 34214 H1 TIP3 7670 66.932 91.463 58.251 1.00 0.00 WT2 H ATOM 34215 H2 TIP3 7670 65.543 91.662 57.682 1.00 0.00 WT2 H ATOM 34216 OH2 TIP3 7673 73.654 39.708 56.667 1.00 0.00 WT2 O ATOM 34217 H1 TIP3 7673 73.086 38.937 56.665 1.00 0.00 WT2 H ATOM 34218 H2 TIP3 7673 73.696 39.977 55.750 1.00 0.00 WT2 H ATOM 34219 OH2 TIP3 7686 49.052 54.599 62.135 1.00 0.00 WT2 O ATOM 34220 H1 TIP3 7686 48.167 54.420 62.453 1.00 0.00 WT2 H ATOM 34221 H2 TIP3 7686 48.956 54.666 61.185 1.00 0.00 WT2 H ATOM 34222 OH2 TIP3 7688 74.578 4.817 -10.489 1.00 0.00 WT2 O ATOM 34223 H1 TIP3 7688 75.326 5.011 -9.925 1.00 0.00 WT2 H ATOM 34224 H2 TIP3 7688 74.393 5.643 -10.935 1.00 0.00 WT2 H ATOM 34225 OH2 TIP3 7689 44.315 95.312 -9.635 1.00 0.00 WT2 O ATOM 34226 H1 TIP3 7689 43.868 96.158 -9.677 1.00 0.00 WT2 H ATOM 34227 H2 TIP3 7689 44.414 95.047 -10.550 1.00 0.00 WT2 H ATOM 34228 OH2 TIP3 7690 64.270 39.408 54.363 1.00 0.00 WT2 O ATOM 34229 H1 TIP3 7690 63.911 40.007 55.017 1.00 0.00 WT2 H ATOM 34230 H2 TIP3 7690 63.524 39.187 53.805 1.00 0.00 WT2 H ATOM 34231 OH2 TIP3 7691 28.652 46.042 6.313 1.00 0.00 WT2 O ATOM 34232 H1 TIP3 7691 28.345 45.883 7.206 1.00 0.00 WT2 H ATOM 34233 H2 TIP3 7691 28.685 45.174 5.912 1.00 0.00 WT2 H ATOM 34234 OH2 TIP3 7692 44.511 85.089 45.779 1.00 0.00 WT2 O ATOM 34235 H1 TIP3 7692 45.199 85.331 45.158 1.00 0.00 WT2 H ATOM 34236 H2 TIP3 7692 44.975 84.935 46.602 1.00 0.00 WT2 H ATOM 34237 OH2 TIP3 7694 34.653 41.435 56.453 1.00 0.00 WT2 O ATOM 34238 H1 TIP3 7694 34.013 42.134 56.320 1.00 0.00 WT2 H ATOM 34239 H2 TIP3 7694 34.695 40.984 55.609 1.00 0.00 WT2 H ATOM 34240 OH2 TIP3 7695 33.961 37.358 37.753 1.00 0.00 WT2 O ATOM 34241 H1 TIP3 7695 33.647 37.247 36.855 1.00 0.00 WT2 H ATOM 34242 H2 TIP3 7695 34.869 37.644 37.656 1.00 0.00 WT2 H ATOM 34243 OH2 TIP3 7696 72.515 56.050 43.677 1.00 0.00 WT2 O ATOM 34244 H1 TIP3 7696 72.435 55.439 42.945 1.00 0.00 WT2 H ATOM 34245 H2 TIP3 7696 73.234 56.630 43.428 1.00 0.00 WT2 H ATOM 34246 OH2 TIP3 7698 20.254 32.636 52.431 1.00 0.00 WT2 O ATOM 34247 H1 TIP3 7698 19.718 33.411 52.265 1.00 0.00 WT2 H ATOM 34248 H2 TIP3 7698 21.154 32.935 52.299 1.00 0.00 WT2 H ATOM 34249 OH2 TIP3 7705 83.840 2.361 44.843 1.00 0.00 WT2 O ATOM 34250 H1 TIP3 7705 84.101 3.155 44.376 1.00 0.00 WT2 H ATOM 34251 H2 TIP3 7705 83.949 1.659 44.202 1.00 0.00 WT2 H ATOM 34252 OH2 TIP3 7707 59.846 69.878 51.161 1.00 0.00 WT2 O ATOM 34253 H1 TIP3 7707 59.182 70.088 50.504 1.00 0.00 WT2 H ATOM 34254 H2 TIP3 7707 59.965 68.931 51.088 1.00 0.00 WT2 H ATOM 34255 OH2 TIP3 7708 34.184 59.248 26.879 1.00 0.00 WT2 O ATOM 34256 H1 TIP3 7708 34.128 60.193 27.020 1.00 0.00 WT2 H ATOM 34257 H2 TIP3 7708 34.993 59.127 26.381 1.00 0.00 WT2 H ATOM 34258 OH2 TIP3 7710 88.282 90.092 50.695 1.00 0.00 WT2 O ATOM 34259 H1 TIP3 7710 88.288 89.575 49.889 1.00 0.00 WT2 H ATOM 34260 H2 TIP3 7710 88.431 89.453 51.391 1.00 0.00 WT2 H ATOM 34261 OH2 TIP3 7711 87.198 50.619 53.944 1.00 0.00 WT2 O ATOM 34262 H1 TIP3 7711 87.592 50.952 53.138 1.00 0.00 WT2 H ATOM 34263 H2 TIP3 7711 87.112 51.390 54.506 1.00 0.00 WT2 H ATOM 34264 OH2 TIP3 7712 36.745 33.972 2.202 1.00 0.00 WT2 O ATOM 34265 H1 TIP3 7712 36.144 34.669 2.466 1.00 0.00 WT2 H ATOM 34266 H2 TIP3 7712 37.467 34.429 1.769 1.00 0.00 WT2 H ATOM 34267 OH2 TIP3 7713 72.361 28.345 57.222 1.00 0.00 WT2 O ATOM 34268 H1 TIP3 7713 73.299 28.273 57.044 1.00 0.00 WT2 H ATOM 34269 H2 TIP3 7713 72.263 28.032 58.121 1.00 0.00 WT2 H ATOM 34270 OH2 TIP3 7716 25.313 27.603 -18.011 1.00 0.00 WT2 O ATOM 34271 H1 TIP3 7716 25.435 28.508 -18.300 1.00 0.00 WT2 H ATOM 34272 H2 TIP3 7716 24.915 27.680 -17.144 1.00 0.00 WT2 H ATOM 34273 OH2 TIP3 7718 88.575 61.907 57.524 1.00 0.00 WT2 O ATOM 34274 H1 TIP3 7718 89.206 61.820 58.238 1.00 0.00 WT2 H ATOM 34275 H2 TIP3 7718 87.787 62.256 57.941 1.00 0.00 WT2 H ATOM 34276 OH2 TIP3 7730 36.249 6.613 -15.161 1.00 0.00 WT2 O ATOM 34277 H1 TIP3 7730 35.672 6.287 -15.852 1.00 0.00 WT2 H ATOM 34278 H2 TIP3 7730 36.395 5.856 -14.593 1.00 0.00 WT2 H ATOM 34279 OH2 TIP3 7731 62.118 44.893 42.761 1.00 0.00 WT2 O ATOM 34280 H1 TIP3 7731 62.630 44.162 42.415 1.00 0.00 WT2 H ATOM 34281 H2 TIP3 7731 61.678 45.262 41.995 1.00 0.00 WT2 H ATOM 34282 OH2 TIP3 7734 85.915 20.327 53.682 1.00 0.00 WT2 O ATOM 34283 H1 TIP3 7734 86.098 20.106 54.595 1.00 0.00 WT2 H ATOM 34284 H2 TIP3 7734 86.396 19.672 53.176 1.00 0.00 WT2 H ATOM 34285 OH2 TIP3 7735 58.853 2.199 28.181 1.00 0.00 WT2 O ATOM 34286 H1 TIP3 7735 58.632 3.129 28.133 1.00 0.00 WT2 H ATOM 34287 H2 TIP3 7735 59.805 2.183 28.286 1.00 0.00 WT2 H ATOM 34288 OH2 TIP3 7736 31.912 21.574 2.463 1.00 0.00 WT2 O ATOM 34289 H1 TIP3 7736 32.049 21.708 1.525 1.00 0.00 WT2 H ATOM 34290 H2 TIP3 7736 31.272 22.242 2.710 1.00 0.00 WT2 H ATOM 34291 OH2 TIP3 7737 80.653 38.965 48.044 1.00 0.00 WT2 O ATOM 34292 H1 TIP3 7737 81.593 38.789 48.075 1.00 0.00 WT2 H ATOM 34293 H2 TIP3 7737 80.514 39.644 48.705 1.00 0.00 WT2 H ATOM 34294 OH2 TIP3 7748 69.296 23.646 -11.740 1.00 0.00 WT2 O ATOM 34295 H1 TIP3 7748 68.474 24.051 -12.015 1.00 0.00 WT2 H ATOM 34296 H2 TIP3 7748 69.976 24.196 -12.129 1.00 0.00 WT2 H ATOM 34297 OH2 TIP3 7750 21.702 55.152 7.424 1.00 0.00 WT2 O ATOM 34298 H1 TIP3 7750 20.961 55.456 6.900 1.00 0.00 WT2 H ATOM 34299 H2 TIP3 7750 22.162 55.953 7.676 1.00 0.00 WT2 H ATOM 34300 OH2 TIP3 7751 36.500 73.521 17.366 1.00 0.00 WT2 O ATOM 34301 H1 TIP3 7751 36.001 72.761 17.664 1.00 0.00 WT2 H ATOM 34302 H2 TIP3 7751 37.409 73.311 17.579 1.00 0.00 WT2 H ATOM 34303 OH2 TIP3 7752 72.785 83.987 -7.020 1.00 0.00 WT2 O ATOM 34304 H1 TIP3 7752 72.214 83.274 -6.736 1.00 0.00 WT2 H ATOM 34305 H2 TIP3 7752 73.414 83.570 -7.609 1.00 0.00 WT2 H ATOM 34306 OH2 TIP3 7753 76.802 28.946 63.795 1.00 0.00 WT2 O ATOM 34307 H1 TIP3 7753 76.822 29.669 64.422 1.00 0.00 WT2 H ATOM 34308 H2 TIP3 7753 75.981 28.491 63.979 1.00 0.00 WT2 H ATOM 34309 OH2 TIP3 7754 88.285 48.463 -16.820 1.00 0.00 WT2 O ATOM 34310 H1 TIP3 7754 87.672 47.728 -16.848 1.00 0.00 WT2 H ATOM 34311 H2 TIP3 7754 87.728 49.236 -16.728 1.00 0.00 WT2 H ATOM 34312 OH2 TIP3 7755 57.019 18.921 62.174 1.00 0.00 WT2 O ATOM 34313 H1 TIP3 7755 57.010 19.189 63.093 1.00 0.00 WT2 H ATOM 34314 H2 TIP3 7755 56.232 19.317 61.800 1.00 0.00 WT2 H ATOM 34315 OH2 TIP3 7757 69.408 22.786 12.863 1.00 0.00 WT2 O ATOM 34316 H1 TIP3 7757 68.744 23.471 12.781 1.00 0.00 WT2 H ATOM 34317 H2 TIP3 7757 69.686 22.829 13.778 1.00 0.00 WT2 H ATOM 34318 OH2 TIP3 7772 41.378 47.910 65.896 1.00 0.00 WT2 O ATOM 34319 H1 TIP3 7772 41.658 47.582 66.751 1.00 0.00 WT2 H ATOM 34320 H2 TIP3 7772 40.656 48.507 66.094 1.00 0.00 WT2 H ATOM 34321 OH2 TIP3 7773 72.681 9.248 6.422 1.00 0.00 WT2 O ATOM 34322 H1 TIP3 7773 71.871 9.622 6.767 1.00 0.00 WT2 H ATOM 34323 H2 TIP3 7773 72.393 8.594 5.785 1.00 0.00 WT2 H ATOM 34324 OH2 TIP3 7774 24.632 49.223 -14.768 1.00 0.00 WT2 O ATOM 34325 H1 TIP3 7774 25.501 49.573 -14.967 1.00 0.00 WT2 H ATOM 34326 H2 TIP3 7774 24.301 49.787 -14.069 1.00 0.00 WT2 H ATOM 34327 OH2 TIP3 7776 75.253 75.777 -15.526 1.00 0.00 WT2 O ATOM 34328 H1 TIP3 7776 74.485 75.228 -15.687 1.00 0.00 WT2 H ATOM 34329 H2 TIP3 7776 75.335 75.801 -14.573 1.00 0.00 WT2 H ATOM 34330 OH2 TIP3 7780 72.285 36.511 63.001 1.00 0.00 WT2 O ATOM 34331 H1 TIP3 7780 71.713 37.140 63.440 1.00 0.00 WT2 H ATOM 34332 H2 TIP3 7780 72.238 36.751 62.075 1.00 0.00 WT2 H ATOM 34333 OH2 TIP3 7791 29.028 87.543 12.983 1.00 0.00 WT2 O ATOM 34334 H1 TIP3 7791 29.777 88.131 12.885 1.00 0.00 WT2 H ATOM 34335 H2 TIP3 7791 28.475 87.966 13.639 1.00 0.00 WT2 H ATOM 34336 OH2 TIP3 7793 68.815 65.052 48.272 1.00 0.00 WT2 O ATOM 34337 H1 TIP3 7793 69.166 64.551 47.535 1.00 0.00 WT2 H ATOM 34338 H2 TIP3 7793 67.964 65.365 47.966 1.00 0.00 WT2 H ATOM 34339 OH2 TIP3 7795 78.495 68.074 31.402 1.00 0.00 WT2 O ATOM 34340 H1 TIP3 7795 78.818 67.450 30.752 1.00 0.00 WT2 H ATOM 34341 H2 TIP3 7795 77.544 68.068 31.289 1.00 0.00 WT2 H ATOM 34342 OH2 TIP3 7796 59.079 70.482 32.549 1.00 0.00 WT2 O ATOM 34343 H1 TIP3 7796 58.663 70.430 31.688 1.00 0.00 WT2 H ATOM 34344 H2 TIP3 7796 58.633 69.816 33.072 1.00 0.00 WT2 H ATOM 34345 OH2 TIP3 7797 85.818 8.270 -11.132 1.00 0.00 WT2 O ATOM 34346 H1 TIP3 7797 85.315 8.080 -10.340 1.00 0.00 WT2 H ATOM 34347 H2 TIP3 7797 86.581 8.758 -10.820 1.00 0.00 WT2 H ATOM 34348 OH2 TIP3 7798 39.629 41.656 60.337 1.00 0.00 WT2 O ATOM 34349 H1 TIP3 7798 38.694 41.462 60.267 1.00 0.00 WT2 H ATOM 34350 H2 TIP3 7798 39.960 41.018 60.969 1.00 0.00 WT2 H ATOM 34351 OH2 TIP3 7799 50.407 49.708 65.050 1.00 0.00 WT2 O ATOM 34352 H1 TIP3 7799 49.939 50.441 64.650 1.00 0.00 WT2 H ATOM 34353 H2 TIP3 7799 49.720 49.175 65.452 1.00 0.00 WT2 H ATOM 34354 OH2 TIP3 7806 58.128 8.582 35.065 1.00 0.00 WT2 O ATOM 34355 H1 TIP3 7806 57.920 7.827 34.514 1.00 0.00 WT2 H ATOM 34356 H2 TIP3 7806 58.601 9.179 34.485 1.00 0.00 WT2 H ATOM 34357 OH2 TIP3 7811 54.554 78.785 38.236 1.00 0.00 WT2 O ATOM 34358 H1 TIP3 7811 54.786 78.945 39.151 1.00 0.00 WT2 H ATOM 34359 H2 TIP3 7811 54.932 79.526 37.761 1.00 0.00 WT2 H ATOM 34360 OH2 TIP3 7813 35.058 40.827 -19.282 1.00 0.00 WT2 O ATOM 34361 H1 TIP3 7813 35.471 41.682 -19.407 1.00 0.00 WT2 H ATOM 34362 H2 TIP3 7813 34.321 41.000 -18.696 1.00 0.00 WT2 H ATOM 34363 OH2 TIP3 7815 89.623 40.841 47.603 1.00 0.00 WT2 O ATOM 34364 H1 TIP3 7815 89.654 40.217 48.328 1.00 0.00 WT2 H ATOM 34365 H2 TIP3 7815 89.999 41.645 47.961 1.00 0.00 WT2 H ATOM 34366 OH2 TIP3 7816 59.399 89.319 33.406 1.00 0.00 WT2 O ATOM 34367 H1 TIP3 7816 59.905 90.086 33.675 1.00 0.00 WT2 H ATOM 34368 H2 TIP3 7816 58.658 89.680 32.919 1.00 0.00 WT2 H ATOM 34369 OH2 TIP3 7817 60.741 75.457 60.644 1.00 0.00 WT2 O ATOM 34370 H1 TIP3 7817 61.153 75.500 59.781 1.00 0.00 WT2 H ATOM 34371 H2 TIP3 7817 60.473 74.543 60.736 1.00 0.00 WT2 H ATOM 34372 OH2 TIP3 7818 21.648 89.305 45.520 1.00 0.00 WT2 O ATOM 34373 H1 TIP3 7818 21.666 89.846 44.731 1.00 0.00 WT2 H ATOM 34374 H2 TIP3 7818 22.061 88.482 45.258 1.00 0.00 WT2 H ATOM 34375 OH2 TIP3 7820 69.786 8.307 36.397 1.00 0.00 WT2 O ATOM 34376 H1 TIP3 7820 70.341 7.629 36.782 1.00 0.00 WT2 H ATOM 34377 H2 TIP3 7820 70.373 9.052 36.265 1.00 0.00 WT2 H ATOM 34378 OH2 TIP3 7833 28.105 55.646 -17.143 1.00 0.00 WT2 O ATOM 34379 H1 TIP3 7833 27.150 55.653 -17.074 1.00 0.00 WT2 H ATOM 34380 H2 TIP3 7833 28.314 56.431 -17.650 1.00 0.00 WT2 H ATOM 34381 OH2 TIP3 7835 67.086 87.269 24.404 1.00 0.00 WT2 O ATOM 34382 H1 TIP3 7835 67.056 86.661 25.143 1.00 0.00 WT2 H ATOM 34383 H2 TIP3 7835 66.604 86.822 23.707 1.00 0.00 WT2 H ATOM 34384 OH2 TIP3 7836 72.130 51.244 28.505 1.00 0.00 WT2 O ATOM 34385 H1 TIP3 7836 71.337 51.166 29.035 1.00 0.00 WT2 H ATOM 34386 H2 TIP3 7836 71.830 51.119 27.605 1.00 0.00 WT2 H ATOM 34387 OH2 TIP3 7837 54.809 64.081 64.454 1.00 0.00 WT2 O ATOM 34388 H1 TIP3 7837 54.573 63.323 64.988 1.00 0.00 WT2 H ATOM 34389 H2 TIP3 7837 54.116 64.719 64.623 1.00 0.00 WT2 H ATOM 34390 OH2 TIP3 7838 81.178 48.927 56.320 1.00 0.00 WT2 O ATOM 34391 H1 TIP3 7838 81.288 49.822 55.997 1.00 0.00 WT2 H ATOM 34392 H2 TIP3 7838 80.803 49.032 57.194 1.00 0.00 WT2 H ATOM 34393 OH2 TIP3 7839 73.689 52.211 -8.423 1.00 0.00 WT2 O ATOM 34394 H1 TIP3 7839 74.078 53.033 -8.125 1.00 0.00 WT2 H ATOM 34395 H2 TIP3 7839 73.006 52.021 -7.780 1.00 0.00 WT2 H ATOM 34396 OH2 TIP3 7840 34.736 9.049 31.824 1.00 0.00 WT2 O ATOM 34397 H1 TIP3 7840 34.939 8.119 31.722 1.00 0.00 WT2 H ATOM 34398 H2 TIP3 7840 35.069 9.456 31.024 1.00 0.00 WT2 H ATOM 34399 OH2 TIP3 7842 76.129 51.062 -17.589 1.00 0.00 WT2 O ATOM 34400 H1 TIP3 7842 76.510 50.847 -16.738 1.00 0.00 WT2 H ATOM 34401 H2 TIP3 7842 75.205 50.828 -17.504 1.00 0.00 WT2 H ATOM 34402 OH2 TIP3 7853 21.117 8.906 63.888 1.00 0.00 WT2 O ATOM 34403 H1 TIP3 7853 21.085 9.387 64.715 1.00 0.00 WT2 H ATOM 34404 H2 TIP3 7853 21.559 9.499 63.281 1.00 0.00 WT2 H ATOM 34405 OH2 TIP3 7854 25.345 24.852 1.011 1.00 0.00 WT2 O ATOM 34406 H1 TIP3 7854 26.177 24.453 0.757 1.00 0.00 WT2 H ATOM 34407 H2 TIP3 7854 25.566 25.761 1.213 1.00 0.00 WT2 H ATOM 34408 OH2 TIP3 7856 72.219 59.913 40.876 1.00 0.00 WT2 O ATOM 34409 H1 TIP3 7856 71.457 59.586 40.397 1.00 0.00 WT2 H ATOM 34410 H2 TIP3 7856 71.849 60.390 41.619 1.00 0.00 WT2 H ATOM 34411 OH2 TIP3 7858 39.785 74.167 54.232 1.00 0.00 WT2 O ATOM 34412 H1 TIP3 7858 40.091 75.016 53.913 1.00 0.00 WT2 H ATOM 34413 H2 TIP3 7858 40.489 73.856 54.800 1.00 0.00 WT2 H ATOM 34414 OH2 TIP3 7859 34.235 40.361 51.675 1.00 0.00 WT2 O ATOM 34415 H1 TIP3 7859 34.106 40.111 52.590 1.00 0.00 WT2 H ATOM 34416 H2 TIP3 7859 34.900 39.753 51.352 1.00 0.00 WT2 H ATOM 34417 OH2 TIP3 7861 77.359 48.612 65.985 1.00 0.00 WT2 O ATOM 34418 H1 TIP3 7861 76.628 48.778 66.580 1.00 0.00 WT2 H ATOM 34419 H2 TIP3 7861 77.038 48.888 65.127 1.00 0.00 WT2 H ATOM 34420 OH2 TIP3 7864 46.315 96.225 20.585 1.00 0.00 WT2 O ATOM 34421 H1 TIP3 7864 45.514 95.734 20.403 1.00 0.00 WT2 H ATOM 34422 H2 TIP3 7864 46.065 97.142 20.474 1.00 0.00 WT2 H ATOM 34423 OH2 TIP3 7865 78.741 5.336 61.343 1.00 0.00 WT2 O ATOM 34424 H1 TIP3 7865 78.359 4.979 60.541 1.00 0.00 WT2 H ATOM 34425 H2 TIP3 7865 78.018 5.796 61.770 1.00 0.00 WT2 H ATOM 34426 OH2 TIP3 7872 85.424 69.131 58.115 1.00 0.00 WT2 O ATOM 34427 H1 TIP3 7872 85.955 69.220 57.323 1.00 0.00 WT2 H ATOM 34428 H2 TIP3 7872 85.205 70.031 58.359 1.00 0.00 WT2 H ATOM 34429 OH2 TIP3 7875 45.116 65.427 58.211 1.00 0.00 WT2 O ATOM 34430 H1 TIP3 7875 45.005 64.892 57.426 1.00 0.00 WT2 H ATOM 34431 H2 TIP3 7875 46.039 65.681 58.200 1.00 0.00 WT2 H ATOM 34432 OH2 TIP3 7878 31.235 95.694 45.902 1.00 0.00 WT2 O ATOM 34433 H1 TIP3 7878 31.177 96.632 46.088 1.00 0.00 WT2 H ATOM 34434 H2 TIP3 7878 31.461 95.297 46.743 1.00 0.00 WT2 H ATOM 34435 OH2 TIP3 7880 73.488 83.356 42.016 1.00 0.00 WT2 O ATOM 34436 H1 TIP3 7880 73.023 82.870 42.697 1.00 0.00 WT2 H ATOM 34437 H2 TIP3 7880 74.372 82.987 42.019 1.00 0.00 WT2 H ATOM 34438 OH2 TIP3 7882 72.274 37.129 60.369 1.00 0.00 WT2 O ATOM 34439 H1 TIP3 7882 71.974 37.958 59.996 1.00 0.00 WT2 H ATOM 34440 H2 TIP3 7882 72.821 36.742 59.685 1.00 0.00 WT2 H ATOM 34441 OH2 TIP3 7884 61.713 57.740 -19.226 1.00 0.00 WT2 O ATOM 34442 H1 TIP3 7884 61.492 57.777 -18.296 1.00 0.00 WT2 H ATOM 34443 H2 TIP3 7884 61.945 58.640 -19.454 1.00 0.00 WT2 H ATOM 34444 OH2 TIP3 7895 41.282 69.269 15.483 1.00 0.00 WT2 O ATOM 34445 H1 TIP3 7895 42.010 68.647 15.517 1.00 0.00 WT2 H ATOM 34446 H2 TIP3 7895 40.499 68.727 15.581 1.00 0.00 WT2 H ATOM 34447 OH2 TIP3 7899 63.440 47.342 -17.898 1.00 0.00 WT2 O ATOM 34448 H1 TIP3 7899 64.199 47.196 -17.335 1.00 0.00 WT2 H ATOM 34449 H2 TIP3 7899 62.688 47.114 -17.352 1.00 0.00 WT2 H ATOM 34450 OH2 TIP3 7900 60.375 20.959 65.554 1.00 0.00 WT2 O ATOM 34451 H1 TIP3 7900 59.838 21.611 66.005 1.00 0.00 WT2 H ATOM 34452 H2 TIP3 7900 60.528 20.279 66.210 1.00 0.00 WT2 H ATOM 34453 OH2 TIP3 7905 67.699 51.591 -11.275 1.00 0.00 WT2 O ATOM 34454 H1 TIP3 7905 67.220 50.858 -10.887 1.00 0.00 WT2 H ATOM 34455 H2 TIP3 7905 67.189 52.365 -11.035 1.00 0.00 WT2 H ATOM 34456 OH2 TIP3 7919 75.220 78.798 47.016 1.00 0.00 WT2 O ATOM 34457 H1 TIP3 7919 75.910 79.038 46.397 1.00 0.00 WT2 H ATOM 34458 H2 TIP3 7919 74.406 79.042 46.575 1.00 0.00 WT2 H ATOM 34459 OH2 TIP3 7920 38.620 42.000 14.659 1.00 0.00 WT2 O ATOM 34460 H1 TIP3 7920 39.146 42.003 13.859 1.00 0.00 WT2 H ATOM 34461 H2 TIP3 7920 38.876 42.800 15.117 1.00 0.00 WT2 H ATOM 34462 OH2 TIP3 7921 68.220 25.779 58.508 1.00 0.00 WT2 O ATOM 34463 H1 TIP3 7921 68.189 25.066 59.146 1.00 0.00 WT2 H ATOM 34464 H2 TIP3 7921 68.246 25.339 57.658 1.00 0.00 WT2 H ATOM 34465 OH2 TIP3 7922 23.238 88.484 30.946 1.00 0.00 WT2 O ATOM 34466 H1 TIP3 7922 22.765 89.106 30.393 1.00 0.00 WT2 H ATOM 34467 H2 TIP3 7922 23.274 87.681 30.426 1.00 0.00 WT2 H ATOM 34468 OH2 TIP3 7933 24.574 59.436 43.234 1.00 0.00 WT2 O ATOM 34469 H1 TIP3 7933 24.622 60.309 43.625 1.00 0.00 WT2 H ATOM 34470 H2 TIP3 7933 25.484 59.208 43.044 1.00 0.00 WT2 H ATOM 34471 OH2 TIP3 7938 73.527 58.091 4.909 1.00 0.00 WT2 O ATOM 34472 H1 TIP3 7938 72.589 57.975 4.758 1.00 0.00 WT2 H ATOM 34473 H2 TIP3 7938 73.600 58.256 5.849 1.00 0.00 WT2 H ATOM 34474 OH2 TIP3 7939 58.452 94.357 36.727 1.00 0.00 WT2 O ATOM 34475 H1 TIP3 7939 57.896 95.120 36.888 1.00 0.00 WT2 H ATOM 34476 H2 TIP3 7939 59.265 94.548 37.194 1.00 0.00 WT2 H ATOM 34477 OH2 TIP3 7940 74.072 60.710 63.961 1.00 0.00 WT2 O ATOM 34478 H1 TIP3 7940 73.900 61.435 63.361 1.00 0.00 WT2 H ATOM 34479 H2 TIP3 7940 73.446 60.032 63.705 1.00 0.00 WT2 H ATOM 34480 OH2 TIP3 7941 73.267 8.270 -6.091 1.00 0.00 WT2 O ATOM 34481 H1 TIP3 7941 72.890 7.817 -6.845 1.00 0.00 WT2 H ATOM 34482 H2 TIP3 7941 72.760 7.954 -5.343 1.00 0.00 WT2 H ATOM 34483 OH2 TIP3 7942 83.790 67.690 20.901 1.00 0.00 WT2 O ATOM 34484 H1 TIP3 7942 84.021 66.761 20.873 1.00 0.00 WT2 H ATOM 34485 H2 TIP3 7942 83.180 67.807 20.172 1.00 0.00 WT2 H ATOM 34486 OH2 TIP3 7944 36.164 22.539 5.725 1.00 0.00 WT2 O ATOM 34487 H1 TIP3 7944 36.023 23.194 6.409 1.00 0.00 WT2 H ATOM 34488 H2 TIP3 7944 35.991 21.702 6.156 1.00 0.00 WT2 H ATOM 34489 OH2 TIP3 7946 88.123 24.711 40.947 1.00 0.00 WT2 O ATOM 34490 H1 TIP3 7946 87.981 25.552 40.512 1.00 0.00 WT2 H ATOM 34491 H2 TIP3 7946 88.980 24.800 41.366 1.00 0.00 WT2 H ATOM 34492 OH2 TIP3 7947 32.375 20.610 37.948 1.00 0.00 WT2 O ATOM 34493 H1 TIP3 7947 31.524 20.601 37.511 1.00 0.00 WT2 H ATOM 34494 H2 TIP3 7947 32.408 21.458 38.392 1.00 0.00 WT2 H ATOM 34495 OH2 TIP3 7949 55.331 18.529 7.614 1.00 0.00 WT2 O ATOM 34496 H1 TIP3 7949 55.596 17.652 7.891 1.00 0.00 WT2 H ATOM 34497 H2 TIP3 7949 55.624 18.592 6.705 1.00 0.00 WT2 H ATOM 34498 OH2 TIP3 7959 38.103 59.584 65.129 1.00 0.00 WT2 O ATOM 34499 H1 TIP3 7959 37.728 58.859 65.630 1.00 0.00 WT2 H ATOM 34500 H2 TIP3 7959 38.431 60.190 65.793 1.00 0.00 WT2 H ATOM 34501 OH2 TIP3 7962 31.687 67.637 23.051 1.00 0.00 WT2 O ATOM 34502 H1 TIP3 7962 32.589 67.824 22.789 1.00 0.00 WT2 H ATOM 34503 H2 TIP3 7962 31.739 66.796 23.505 1.00 0.00 WT2 H ATOM 34504 OH2 TIP3 7963 47.562 13.693 55.004 1.00 0.00 WT2 O ATOM 34505 H1 TIP3 7963 47.377 12.980 55.615 1.00 0.00 WT2 H ATOM 34506 H2 TIP3 7963 48.233 14.216 55.442 1.00 0.00 WT2 H ATOM 34507 OH2 TIP3 7964 58.556 19.928 -13.877 1.00 0.00 WT2 O ATOM 34508 H1 TIP3 7964 58.628 20.666 -14.482 1.00 0.00 WT2 H ATOM 34509 H2 TIP3 7964 58.817 20.285 -13.029 1.00 0.00 WT2 H ATOM 34510 OH2 TIP3 7965 84.477 23.714 1.345 1.00 0.00 WT2 O ATOM 34511 H1 TIP3 7965 85.010 24.250 0.758 1.00 0.00 WT2 H ATOM 34512 H2 TIP3 7965 84.185 24.321 2.025 1.00 0.00 WT2 H ATOM 34513 OH2 TIP3 7967 65.144 10.447 -14.051 1.00 0.00 WT2 O ATOM 34514 H1 TIP3 7967 64.908 11.016 -13.318 1.00 0.00 WT2 H ATOM 34515 H2 TIP3 7967 65.941 10.002 -13.763 1.00 0.00 WT2 H ATOM 34516 OH2 TIP3 7969 76.132 24.751 46.498 1.00 0.00 WT2 O ATOM 34517 H1 TIP3 7969 76.732 24.393 45.844 1.00 0.00 WT2 H ATOM 34518 H2 TIP3 7969 75.951 24.017 47.085 1.00 0.00 WT2 H ATOM 34519 OH2 TIP3 7972 59.947 81.833 -8.101 1.00 0.00 WT2 O ATOM 34520 H1 TIP3 7972 60.744 81.868 -7.573 1.00 0.00 WT2 H ATOM 34521 H2 TIP3 7972 59.237 81.973 -7.474 1.00 0.00 WT2 H ATOM 34522 OH2 TIP3 7979 41.754 48.827 16.868 1.00 0.00 WT2 O ATOM 34523 H1 TIP3 7979 42.644 48.521 16.697 1.00 0.00 WT2 H ATOM 34524 H2 TIP3 7979 41.852 49.475 17.565 1.00 0.00 WT2 H ATOM 34525 OH2 TIP3 7981 64.405 5.276 56.886 1.00 0.00 WT2 O ATOM 34526 H1 TIP3 7981 65.212 5.783 56.982 1.00 0.00 WT2 H ATOM 34527 H2 TIP3 7981 64.592 4.658 56.180 1.00 0.00 WT2 H ATOM 34528 OH2 TIP3 7983 39.850 25.117 44.148 1.00 0.00 WT2 O ATOM 34529 H1 TIP3 7983 39.877 25.981 44.560 1.00 0.00 WT2 H ATOM 34530 H2 TIP3 7983 38.917 24.940 44.024 1.00 0.00 WT2 H ATOM 34531 OH2 TIP3 7984 21.226 62.366 11.038 1.00 0.00 WT2 O ATOM 34532 H1 TIP3 7984 21.961 62.235 11.636 1.00 0.00 WT2 H ATOM 34533 H2 TIP3 7984 20.469 62.013 11.507 1.00 0.00 WT2 H ATOM 34534 OH2 TIP3 7985 75.145 84.928 35.649 1.00 0.00 WT2 O ATOM 34535 H1 TIP3 7985 74.789 84.243 36.215 1.00 0.00 WT2 H ATOM 34536 H2 TIP3 7985 74.531 85.656 35.737 1.00 0.00 WT2 H ATOM 34537 OH2 TIP3 7986 26.063 94.675 -18.855 1.00 0.00 WT2 O ATOM 34538 H1 TIP3 7986 25.507 93.983 -19.214 1.00 0.00 WT2 H ATOM 34539 H2 TIP3 7986 25.621 94.945 -18.051 1.00 0.00 WT2 H ATOM 34540 OH2 TIP3 7987 82.803 84.487 -4.771 1.00 0.00 WT2 O ATOM 34541 H1 TIP3 7987 83.525 84.483 -4.143 1.00 0.00 WT2 H ATOM 34542 H2 TIP3 7987 82.122 83.958 -4.356 1.00 0.00 WT2 H ATOM 34543 OH2 TIP3 8003 89.015 45.777 43.492 1.00 0.00 WT2 O ATOM 34544 H1 TIP3 8003 88.233 46.212 43.151 1.00 0.00 WT2 H ATOM 34545 H2 TIP3 8003 88.966 45.904 44.440 1.00 0.00 WT2 H ATOM 34546 OH2 TIP3 8004 88.655 72.626 -5.022 1.00 0.00 WT2 O ATOM 34547 H1 TIP3 8004 87.959 73.155 -4.632 1.00 0.00 WT2 H ATOM 34548 H2 TIP3 8004 89.373 72.672 -4.391 1.00 0.00 WT2 H ATOM 34549 OH2 TIP3 8005 67.100 22.371 7.909 1.00 0.00 WT2 O ATOM 34550 H1 TIP3 8005 67.490 22.731 8.705 1.00 0.00 WT2 H ATOM 34551 H2 TIP3 8005 66.645 21.581 8.200 1.00 0.00 WT2 H ATOM 34552 OH2 TIP3 8007 83.624 59.573 -11.374 1.00 0.00 WT2 O ATOM 34553 H1 TIP3 8007 83.324 58.784 -10.922 1.00 0.00 WT2 H ATOM 34554 H2 TIP3 8007 82.851 59.892 -11.839 1.00 0.00 WT2 H ATOM 34555 OH2 TIP3 8012 43.254 45.318 14.149 1.00 0.00 WT2 O ATOM 34556 H1 TIP3 8012 43.571 46.091 14.616 1.00 0.00 WT2 H ATOM 34557 H2 TIP3 8012 43.403 44.593 14.755 1.00 0.00 WT2 H ATOM 34558 OH2 TIP3 8020 41.545 73.018 14.129 1.00 0.00 WT2 O ATOM 34559 H1 TIP3 8020 41.165 72.811 14.983 1.00 0.00 WT2 H ATOM 34560 H2 TIP3 8020 42.354 72.509 14.096 1.00 0.00 WT2 H ATOM 34561 OH2 TIP3 8022 89.943 6.405 49.641 1.00 0.00 WT2 O ATOM 34562 H1 TIP3 8022 90.018 5.691 50.274 1.00 0.00 WT2 H ATOM 34563 H2 TIP3 8022 90.044 7.201 50.163 1.00 0.00 WT2 H ATOM 34564 OH2 TIP3 8023 60.007 14.302 59.993 1.00 0.00 WT2 O ATOM 34565 H1 TIP3 8023 59.942 13.375 59.764 1.00 0.00 WT2 H ATOM 34566 H2 TIP3 8023 59.368 14.421 60.696 1.00 0.00 WT2 H ATOM 34567 OH2 TIP3 8024 78.547 64.293 32.258 1.00 0.00 WT2 O ATOM 34568 H1 TIP3 8024 77.590 64.275 32.269 1.00 0.00 WT2 H ATOM 34569 H2 TIP3 8024 78.779 64.132 31.343 1.00 0.00 WT2 H ATOM 34570 OH2 TIP3 8027 29.671 55.868 15.240 1.00 0.00 WT2 O ATOM 34571 H1 TIP3 8027 30.545 56.026 15.598 1.00 0.00 WT2 H ATOM 34572 H2 TIP3 8027 29.814 55.750 14.301 1.00 0.00 WT2 H ATOM 34573 OH2 TIP3 8029 90.038 66.056 39.005 1.00 0.00 WT2 O ATOM 34574 H1 TIP3 8029 90.876 66.505 39.115 1.00 0.00 WT2 H ATOM 34575 H2 TIP3 8029 89.464 66.713 38.611 1.00 0.00 WT2 H ATOM 34576 OH2 TIP3 8030 41.774 15.967 11.448 1.00 0.00 WT2 O ATOM 34577 H1 TIP3 8030 41.546 15.041 11.528 1.00 0.00 WT2 H ATOM 34578 H2 TIP3 8030 42.544 16.074 12.006 1.00 0.00 WT2 H ATOM 34579 OH2 TIP3 8040 61.515 39.656 43.233 1.00 0.00 WT2 O ATOM 34580 H1 TIP3 8040 61.297 40.473 42.785 1.00 0.00 WT2 H ATOM 34581 H2 TIP3 8040 61.120 38.973 42.692 1.00 0.00 WT2 H ATOM 34582 OH2 TIP3 8041 39.827 10.286 44.743 1.00 0.00 WT2 O ATOM 34583 H1 TIP3 8041 40.347 9.614 45.183 1.00 0.00 WT2 H ATOM 34584 H2 TIP3 8041 39.259 10.638 45.429 1.00 0.00 WT2 H ATOM 34585 OH2 TIP3 8045 29.442 69.345 43.784 1.00 0.00 WT2 O ATOM 34586 H1 TIP3 8045 29.865 70.162 43.519 1.00 0.00 WT2 H ATOM 34587 H2 TIP3 8045 28.539 69.594 43.980 1.00 0.00 WT2 H ATOM 34588 OH2 TIP3 8046 21.238 1.176 32.965 1.00 0.00 WT2 O ATOM 34589 H1 TIP3 8046 21.176 1.691 33.770 1.00 0.00 WT2 H ATOM 34590 H2 TIP3 8046 20.420 0.680 32.934 1.00 0.00 WT2 H ATOM 34591 OH2 TIP3 8047 79.832 45.929 45.482 1.00 0.00 WT2 O ATOM 34592 H1 TIP3 8047 79.012 45.930 45.976 1.00 0.00 WT2 H ATOM 34593 H2 TIP3 8047 79.653 46.479 44.719 1.00 0.00 WT2 H ATOM 34594 OH2 TIP3 8050 24.476 65.484 44.980 1.00 0.00 WT2 O ATOM 34595 H1 TIP3 8050 25.316 65.123 45.266 1.00 0.00 WT2 H ATOM 34596 H2 TIP3 8050 23.907 65.403 45.745 1.00 0.00 WT2 H ATOM 34597 OH2 TIP3 8052 66.392 95.491 11.952 1.00 0.00 WT2 O ATOM 34598 H1 TIP3 8052 65.856 94.725 12.158 1.00 0.00 WT2 H ATOM 34599 H2 TIP3 8052 67.294 95.186 12.054 1.00 0.00 WT2 H ATOM 34600 OH2 TIP3 8063 44.926 77.516 -9.191 1.00 0.00 WT2 O ATOM 34601 H1 TIP3 8063 44.859 77.401 -10.139 1.00 0.00 WT2 H ATOM 34602 H2 TIP3 8063 45.188 76.656 -8.863 1.00 0.00 WT2 H ATOM 34603 OH2 TIP3 8064 81.667 24.096 40.190 1.00 0.00 WT2 O ATOM 34604 H1 TIP3 8064 82.402 24.659 40.431 1.00 0.00 WT2 H ATOM 34605 H2 TIP3 8064 81.129 24.052 40.980 1.00 0.00 WT2 H ATOM 34606 OH2 TIP3 8067 47.132 41.796 4.882 1.00 0.00 WT2 O ATOM 34607 H1 TIP3 8067 47.845 42.431 4.813 1.00 0.00 WT2 H ATOM 34608 H2 TIP3 8067 46.514 42.195 5.496 1.00 0.00 WT2 H ATOM 34609 OH2 TIP3 8068 67.371 21.806 -9.114 1.00 0.00 WT2 O ATOM 34610 H1 TIP3 8068 66.709 22.228 -8.566 1.00 0.00 WT2 H ATOM 34611 H2 TIP3 8068 66.890 21.510 -9.887 1.00 0.00 WT2 H ATOM 34612 OH2 TIP3 8069 66.381 13.784 42.599 1.00 0.00 WT2 O ATOM 34613 H1 TIP3 8069 66.085 14.152 43.431 1.00 0.00 WT2 H ATOM 34614 H2 TIP3 8069 66.079 12.876 42.617 1.00 0.00 WT2 H ATOM 34615 OH2 TIP3 8070 82.888 17.224 47.552 1.00 0.00 WT2 O ATOM 34616 H1 TIP3 8070 82.363 17.410 46.773 1.00 0.00 WT2 H ATOM 34617 H2 TIP3 8070 83.265 18.070 47.794 1.00 0.00 WT2 H ATOM 34618 OH2 TIP3 8071 24.669 65.122 -13.791 1.00 0.00 WT2 O ATOM 34619 H1 TIP3 8071 24.389 66.024 -13.940 1.00 0.00 WT2 H ATOM 34620 H2 TIP3 8071 25.622 65.176 -13.714 1.00 0.00 WT2 H ATOM 34621 OH2 TIP3 8075 68.246 39.479 52.865 1.00 0.00 WT2 O ATOM 34622 H1 TIP3 8075 67.374 39.842 52.715 1.00 0.00 WT2 H ATOM 34623 H2 TIP3 8075 68.674 39.519 52.010 1.00 0.00 WT2 H ATOM 34624 OH2 TIP3 8084 45.941 80.552 -8.591 1.00 0.00 WT2 O ATOM 34625 H1 TIP3 8084 45.745 79.716 -9.014 1.00 0.00 WT2 H ATOM 34626 H2 TIP3 8084 46.628 80.344 -7.957 1.00 0.00 WT2 H ATOM 34627 OH2 TIP3 8085 59.010 25.142 21.170 1.00 0.00 WT2 O ATOM 34628 H1 TIP3 8085 58.604 25.569 21.925 1.00 0.00 WT2 H ATOM 34629 H2 TIP3 8085 58.366 24.492 20.888 1.00 0.00 WT2 H ATOM 34630 OH2 TIP3 8087 60.725 91.733 28.506 1.00 0.00 WT2 O ATOM 34631 H1 TIP3 8087 60.249 91.351 27.769 1.00 0.00 WT2 H ATOM 34632 H2 TIP3 8087 60.082 91.768 29.214 1.00 0.00 WT2 H ATOM 34633 OH2 TIP3 8088 23.065 71.036 9.378 1.00 0.00 WT2 O ATOM 34634 H1 TIP3 8088 23.925 71.332 9.080 1.00 0.00 WT2 H ATOM 34635 H2 TIP3 8088 22.837 70.323 8.782 1.00 0.00 WT2 H ATOM 34636 OH2 TIP3 8089 44.858 14.862 20.343 1.00 0.00 WT2 O ATOM 34637 H1 TIP3 8089 44.345 15.459 19.797 1.00 0.00 WT2 H ATOM 34638 H2 TIP3 8089 45.044 15.363 21.137 1.00 0.00 WT2 H ATOM 34639 OH2 TIP3 8091 44.965 49.992 61.135 1.00 0.00 WT2 O ATOM 34640 H1 TIP3 8091 44.377 50.734 61.277 1.00 0.00 WT2 H ATOM 34641 H2 TIP3 8091 44.847 49.442 61.909 1.00 0.00 WT2 H ATOM 34642 OH2 TIP3 8092 62.637 7.243 -7.029 1.00 0.00 WT2 O ATOM 34643 H1 TIP3 8092 62.349 7.280 -6.116 1.00 0.00 WT2 H ATOM 34644 H2 TIP3 8092 61.885 6.889 -7.503 1.00 0.00 WT2 H ATOM 34645 OH2 TIP3 8093 65.082 32.560 25.335 1.00 0.00 WT2 O ATOM 34646 H1 TIP3 8093 64.461 32.696 24.621 1.00 0.00 WT2 H ATOM 34647 H2 TIP3 8093 65.918 32.397 24.898 1.00 0.00 WT2 H ATOM 34648 OH2 TIP3 8095 68.596 35.945 29.005 1.00 0.00 WT2 O ATOM 34649 H1 TIP3 8095 69.012 36.394 29.741 1.00 0.00 WT2 H ATOM 34650 H2 TIP3 8095 68.946 36.381 28.228 1.00 0.00 WT2 H ATOM 34651 OH2 TIP3 8096 29.894 61.935 -1.376 1.00 0.00 WT2 O ATOM 34652 H1 TIP3 8096 30.629 62.018 -0.769 1.00 0.00 WT2 H ATOM 34653 H2 TIP3 8096 29.942 61.031 -1.688 1.00 0.00 WT2 H ATOM 34654 OH2 TIP3 8104 59.462 35.437 24.846 1.00 0.00 WT2 O ATOM 34655 H1 TIP3 8104 60.020 35.034 24.180 1.00 0.00 WT2 H ATOM 34656 H2 TIP3 8104 58.572 35.329 24.511 1.00 0.00 WT2 H ATOM 34657 OH2 TIP3 8106 78.430 65.616 16.731 1.00 0.00 WT2 O ATOM 34658 H1 TIP3 8106 79.232 65.166 16.466 1.00 0.00 WT2 H ATOM 34659 H2 TIP3 8106 77.957 65.766 15.913 1.00 0.00 WT2 H ATOM 34660 OH2 TIP3 8107 50.421 14.052 30.742 1.00 0.00 WT2 O ATOM 34661 H1 TIP3 8107 51.173 13.505 30.969 1.00 0.00 WT2 H ATOM 34662 H2 TIP3 8107 49.690 13.439 30.672 1.00 0.00 WT2 H ATOM 34663 OH2 TIP3 8109 52.623 31.445 -16.247 1.00 0.00 WT2 O ATOM 34664 H1 TIP3 8109 52.126 30.673 -15.975 1.00 0.00 WT2 H ATOM 34665 H2 TIP3 8109 52.681 31.983 -15.457 1.00 0.00 WT2 H ATOM 34666 OH2 TIP3 8110 36.520 44.482 39.053 1.00 0.00 WT2 O ATOM 34667 H1 TIP3 8110 35.754 44.943 39.395 1.00 0.00 WT2 H ATOM 34668 H2 TIP3 8110 36.649 44.848 38.178 1.00 0.00 WT2 H ATOM 34669 OH2 TIP3 8111 77.136 27.539 13.111 1.00 0.00 WT2 O ATOM 34670 H1 TIP3 8111 76.469 28.099 13.508 1.00 0.00 WT2 H ATOM 34671 H2 TIP3 8111 76.874 27.468 12.193 1.00 0.00 WT2 H ATOM 34672 OH2 TIP3 8112 52.099 30.087 7.206 1.00 0.00 WT2 O ATOM 34673 H1 TIP3 8112 51.560 29.866 7.966 1.00 0.00 WT2 H ATOM 34674 H2 TIP3 8112 51.940 31.020 7.063 1.00 0.00 WT2 H ATOM 34675 OH2 TIP3 8113 85.103 31.618 20.383 1.00 0.00 WT2 O ATOM 34676 H1 TIP3 8113 85.404 31.486 21.283 1.00 0.00 WT2 H ATOM 34677 H2 TIP3 8113 84.148 31.619 20.447 1.00 0.00 WT2 H ATOM 34678 OH2 TIP3 8114 89.072 33.278 31.798 1.00 0.00 WT2 O ATOM 34679 H1 TIP3 8114 89.391 32.731 32.516 1.00 0.00 WT2 H ATOM 34680 H2 TIP3 8114 89.806 33.323 31.186 1.00 0.00 WT2 H ATOM 34681 OH2 TIP3 8126 79.692 67.058 -15.024 1.00 0.00 WT2 O ATOM 34682 H1 TIP3 8126 80.476 67.349 -14.560 1.00 0.00 WT2 H ATOM 34683 H2 TIP3 8126 80.020 66.695 -15.847 1.00 0.00 WT2 H ATOM 34684 OH2 TIP3 8129 59.504 60.292 53.948 1.00 0.00 WT2 O ATOM 34685 H1 TIP3 8129 59.774 59.481 53.518 1.00 0.00 WT2 H ATOM 34686 H2 TIP3 8129 60.089 60.370 54.702 1.00 0.00 WT2 H ATOM 34687 OH2 TIP3 8131 69.811 11.930 62.448 1.00 0.00 WT2 O ATOM 34688 H1 TIP3 8131 70.085 11.475 61.651 1.00 0.00 WT2 H ATOM 34689 H2 TIP3 8131 70.591 12.409 62.731 1.00 0.00 WT2 H ATOM 34690 OH2 TIP3 8135 28.334 94.987 57.428 1.00 0.00 WT2 O ATOM 34691 H1 TIP3 8135 27.726 94.253 57.343 1.00 0.00 WT2 H ATOM 34692 H2 TIP3 8135 27.943 95.547 58.098 1.00 0.00 WT2 H ATOM 34693 OH2 TIP3 8136 22.344 89.425 15.217 1.00 0.00 WT2 O ATOM 34694 H1 TIP3 8136 21.835 88.680 15.539 1.00 0.00 WT2 H ATOM 34695 H2 TIP3 8136 22.860 89.707 15.972 1.00 0.00 WT2 H ATOM 34696 OH2 TIP3 8150 73.425 86.698 -6.922 1.00 0.00 WT2 O ATOM 34697 H1 TIP3 8150 74.376 86.733 -7.021 1.00 0.00 WT2 H ATOM 34698 H2 TIP3 8150 73.189 85.805 -7.175 1.00 0.00 WT2 H ATOM 34699 OH2 TIP3 8152 52.100 48.587 57.900 1.00 0.00 WT2 O ATOM 34700 H1 TIP3 8152 52.722 49.027 58.480 1.00 0.00 WT2 H ATOM 34701 H2 TIP3 8152 51.683 49.297 57.412 1.00 0.00 WT2 H ATOM 34702 OH2 TIP3 8154 26.143 30.638 29.018 1.00 0.00 WT2 O ATOM 34703 H1 TIP3 8154 25.941 30.903 28.120 1.00 0.00 WT2 H ATOM 34704 H2 TIP3 8154 25.287 30.523 29.432 1.00 0.00 WT2 H ATOM 34705 OH2 TIP3 8155 34.064 84.696 56.621 1.00 0.00 WT2 O ATOM 34706 H1 TIP3 8155 33.644 83.871 56.377 1.00 0.00 WT2 H ATOM 34707 H2 TIP3 8155 33.559 85.010 57.370 1.00 0.00 WT2 H ATOM 34708 OH2 TIP3 8157 85.551 92.631 -7.752 1.00 0.00 WT2 O ATOM 34709 H1 TIP3 8157 84.751 93.025 -7.403 1.00 0.00 WT2 H ATOM 34710 H2 TIP3 8157 86.076 92.426 -6.979 1.00 0.00 WT2 H ATOM 34711 OH2 TIP3 8159 30.620 88.213 9.726 1.00 0.00 WT2 O ATOM 34712 H1 TIP3 8159 29.787 87.818 9.985 1.00 0.00 WT2 H ATOM 34713 H2 TIP3 8159 31.077 88.373 10.551 1.00 0.00 WT2 H ATOM 34714 OH2 TIP3 8169 83.904 67.542 3.137 1.00 0.00 WT2 O ATOM 34715 H1 TIP3 8169 84.303 68.382 3.363 1.00 0.00 WT2 H ATOM 34716 H2 TIP3 8169 84.156 66.957 3.851 1.00 0.00 WT2 H ATOM 34717 OH2 TIP3 8171 41.239 59.749 -11.682 1.00 0.00 WT2 O ATOM 34718 H1 TIP3 8171 41.786 60.421 -11.275 1.00 0.00 WT2 H ATOM 34719 H2 TIP3 8171 41.484 58.938 -11.236 1.00 0.00 WT2 H ATOM 34720 OH2 TIP3 8173 51.399 41.104 46.385 1.00 0.00 WT2 O ATOM 34721 H1 TIP3 8173 51.537 41.202 47.328 1.00 0.00 WT2 H ATOM 34722 H2 TIP3 8173 52.123 41.585 45.985 1.00 0.00 WT2 H ATOM 34723 OH2 TIP3 8174 36.418 44.266 61.766 1.00 0.00 WT2 O ATOM 34724 H1 TIP3 8174 36.651 44.473 62.671 1.00 0.00 WT2 H ATOM 34725 H2 TIP3 8174 35.471 44.400 61.725 1.00 0.00 WT2 H ATOM 34726 OH2 TIP3 8178 37.363 35.552 8.012 1.00 0.00 WT2 O ATOM 34727 H1 TIP3 8178 37.059 34.645 7.991 1.00 0.00 WT2 H ATOM 34728 H2 TIP3 8178 37.511 35.735 8.939 1.00 0.00 WT2 H ATOM 34729 OH2 TIP3 8181 81.069 7.052 61.071 1.00 0.00 WT2 O ATOM 34730 H1 TIP3 8181 80.245 6.570 61.142 1.00 0.00 WT2 H ATOM 34731 H2 TIP3 8181 81.728 6.378 60.904 1.00 0.00 WT2 H ATOM 34732 OH2 TIP3 8192 25.775 33.342 35.387 1.00 0.00 WT2 O ATOM 34733 H1 TIP3 8192 26.501 33.813 34.978 1.00 0.00 WT2 H ATOM 34734 H2 TIP3 8192 25.114 34.015 35.550 1.00 0.00 WT2 H ATOM 34735 OH2 TIP3 8193 45.115 0.440 42.146 1.00 0.00 WT2 O ATOM 34736 H1 TIP3 8193 45.016 -0.494 42.329 1.00 0.00 WT2 H ATOM 34737 H2 TIP3 8193 44.350 0.664 41.616 1.00 0.00 WT2 H ATOM 34738 OH2 TIP3 8194 66.889 24.375 51.079 1.00 0.00 WT2 O ATOM 34739 H1 TIP3 8194 66.645 25.247 50.768 1.00 0.00 WT2 H ATOM 34740 H2 TIP3 8194 66.570 23.780 50.401 1.00 0.00 WT2 H ATOM 34741 OH2 TIP3 8196 59.188 30.939 63.568 1.00 0.00 WT2 O ATOM 34742 H1 TIP3 8196 58.356 30.687 63.166 1.00 0.00 WT2 H ATOM 34743 H2 TIP3 8196 59.022 31.805 63.940 1.00 0.00 WT2 H ATOM 34744 OH2 TIP3 8198 33.175 16.398 33.505 1.00 0.00 WT2 O ATOM 34745 H1 TIP3 8198 32.612 17.169 33.434 1.00 0.00 WT2 H ATOM 34746 H2 TIP3 8198 34.058 16.730 33.346 1.00 0.00 WT2 H ATOM 34747 OH2 TIP3 8200 23.698 46.703 53.940 1.00 0.00 WT2 O ATOM 34748 H1 TIP3 8200 24.070 47.535 54.234 1.00 0.00 WT2 H ATOM 34749 H2 TIP3 8200 24.356 46.342 53.346 1.00 0.00 WT2 H ATOM 34750 OH2 TIP3 8211 54.626 34.589 -9.282 1.00 0.00 WT2 O ATOM 34751 H1 TIP3 8211 54.281 35.162 -9.967 1.00 0.00 WT2 H ATOM 34752 H2 TIP3 8211 54.931 35.187 -8.600 1.00 0.00 WT2 H ATOM 34753 OH2 TIP3 8212 40.559 23.514 59.225 1.00 0.00 WT2 O ATOM 34754 H1 TIP3 8212 40.426 23.855 60.109 1.00 0.00 WT2 H ATOM 34755 H2 TIP3 8212 41.153 22.772 59.341 1.00 0.00 WT2 H ATOM 34756 OH2 TIP3 8215 27.189 43.010 53.976 1.00 0.00 WT2 O ATOM 34757 H1 TIP3 8215 26.394 43.115 54.499 1.00 0.00 WT2 H ATOM 34758 H2 TIP3 8215 26.917 42.475 53.230 1.00 0.00 WT2 H ATOM 34759 OH2 TIP3 8216 58.380 90.635 6.774 1.00 0.00 WT2 O ATOM 34760 H1 TIP3 8216 57.626 91.212 6.894 1.00 0.00 WT2 H ATOM 34761 H2 TIP3 8216 58.022 89.857 6.347 1.00 0.00 WT2 H ATOM 34762 OH2 TIP3 8218 69.980 89.226 37.292 1.00 0.00 WT2 O ATOM 34763 H1 TIP3 8218 70.100 89.447 36.369 1.00 0.00 WT2 H ATOM 34764 H2 TIP3 8218 70.086 88.275 37.327 1.00 0.00 WT2 H ATOM 34765 OH2 TIP3 8219 65.961 48.928 3.714 1.00 0.00 WT2 O ATOM 34766 H1 TIP3 8219 65.537 49.526 4.329 1.00 0.00 WT2 H ATOM 34767 H2 TIP3 8219 65.816 49.325 2.855 1.00 0.00 WT2 H ATOM 34768 OH2 TIP3 8231 49.327 2.472 61.144 1.00 0.00 WT2 O ATOM 34769 H1 TIP3 8231 49.685 2.738 61.991 1.00 0.00 WT2 H ATOM 34770 H2 TIP3 8231 50.092 2.214 60.630 1.00 0.00 WT2 H ATOM 34771 OH2 TIP3 8233 39.367 86.322 -0.573 1.00 0.00 WT2 O ATOM 34772 H1 TIP3 8233 39.367 86.479 0.371 1.00 0.00 WT2 H ATOM 34773 H2 TIP3 8233 38.448 86.398 -0.830 1.00 0.00 WT2 H ATOM 34774 OH2 TIP3 8234 43.936 26.148 -2.416 1.00 0.00 WT2 O ATOM 34775 H1 TIP3 8234 43.551 25.272 -2.393 1.00 0.00 WT2 H ATOM 34776 H2 TIP3 8234 44.516 26.175 -1.655 1.00 0.00 WT2 H ATOM 34777 OH2 TIP3 8235 29.364 90.998 41.635 1.00 0.00 WT2 O ATOM 34778 H1 TIP3 8235 29.283 91.747 42.226 1.00 0.00 WT2 H ATOM 34779 H2 TIP3 8235 29.297 90.233 42.205 1.00 0.00 WT2 H ATOM 34780 OH2 TIP3 8239 73.361 72.449 -12.141 1.00 0.00 WT2 O ATOM 34781 H1 TIP3 8239 73.310 71.717 -11.525 1.00 0.00 WT2 H ATOM 34782 H2 TIP3 8239 74.274 72.457 -12.428 1.00 0.00 WT2 H ATOM 34783 OH2 TIP3 8240 28.356 74.397 1.778 1.00 0.00 WT2 O ATOM 34784 H1 TIP3 8240 28.345 73.481 1.499 1.00 0.00 WT2 H ATOM 34785 H2 TIP3 8240 29.169 74.487 2.275 1.00 0.00 WT2 H ATOM 34786 OH2 TIP3 8242 33.975 25.061 33.649 1.00 0.00 WT2 O ATOM 34787 H1 TIP3 8242 34.551 25.490 34.281 1.00 0.00 WT2 H ATOM 34788 H2 TIP3 8242 33.530 25.782 33.203 1.00 0.00 WT2 H ATOM 34789 OH2 TIP3 8256 68.911 34.862 53.429 1.00 0.00 WT2 O ATOM 34790 H1 TIP3 8256 69.188 35.778 53.411 1.00 0.00 WT2 H ATOM 34791 H2 TIP3 8256 68.618 34.682 52.536 1.00 0.00 WT2 H ATOM 34792 OH2 TIP3 8257 79.167 11.326 -4.252 1.00 0.00 WT2 O ATOM 34793 H1 TIP3 8257 78.848 11.642 -3.407 1.00 0.00 WT2 H ATOM 34794 H2 TIP3 8257 79.918 11.886 -4.451 1.00 0.00 WT2 H ATOM 34795 OH2 TIP3 8258 50.198 2.090 30.265 1.00 0.00 WT2 O ATOM 34796 H1 TIP3 8258 50.875 2.750 30.113 1.00 0.00 WT2 H ATOM 34797 H2 TIP3 8258 49.373 2.559 30.144 1.00 0.00 WT2 H ATOM 34798 OH2 TIP3 8259 81.934 69.682 60.507 1.00 0.00 WT2 O ATOM 34799 H1 TIP3 8259 81.122 69.209 60.689 1.00 0.00 WT2 H ATOM 34800 H2 TIP3 8259 81.733 70.219 59.741 1.00 0.00 WT2 H ATOM 34801 OH2 TIP3 8260 38.024 39.333 14.415 1.00 0.00 WT2 O ATOM 34802 H1 TIP3 8260 38.281 38.644 15.027 1.00 0.00 WT2 H ATOM 34803 H2 TIP3 8260 38.476 40.116 14.730 1.00 0.00 WT2 H ATOM 34804 OH2 TIP3 8276 55.683 23.872 24.228 1.00 0.00 WT2 O ATOM 34805 H1 TIP3 8276 55.576 24.682 23.729 1.00 0.00 WT2 H ATOM 34806 H2 TIP3 8276 54.797 23.648 24.514 1.00 0.00 WT2 H ATOM 34807 OH2 TIP3 8277 67.252 67.827 -14.127 1.00 0.00 WT2 O ATOM 34808 H1 TIP3 8277 67.014 68.614 -14.617 1.00 0.00 WT2 H ATOM 34809 H2 TIP3 8277 66.418 67.394 -13.947 1.00 0.00 WT2 H ATOM 34810 OH2 TIP3 8278 82.396 85.327 13.403 1.00 0.00 WT2 O ATOM 34811 H1 TIP3 8278 81.482 85.289 13.685 1.00 0.00 WT2 H ATOM 34812 H2 TIP3 8278 82.884 84.914 14.115 1.00 0.00 WT2 H ATOM 34813 OH2 TIP3 8279 58.245 22.278 -1.695 1.00 0.00 WT2 O ATOM 34814 H1 TIP3 8279 57.615 22.958 -1.934 1.00 0.00 WT2 H ATOM 34815 H2 TIP3 8279 58.791 22.682 -1.021 1.00 0.00 WT2 H ATOM 34816 OH2 TIP3 8280 69.929 13.203 -7.314 1.00 0.00 WT2 O ATOM 34817 H1 TIP3 8280 69.714 14.130 -7.416 1.00 0.00 WT2 H ATOM 34818 H2 TIP3 8280 70.874 13.158 -7.459 1.00 0.00 WT2 H ATOM 34819 OH2 TIP3 8281 63.465 41.114 58.665 1.00 0.00 WT2 O ATOM 34820 H1 TIP3 8281 63.406 41.219 57.716 1.00 0.00 WT2 H ATOM 34821 H2 TIP3 8281 63.761 40.212 58.789 1.00 0.00 WT2 H ATOM 34822 OH2 TIP3 8297 59.064 47.907 -13.869 1.00 0.00 WT2 O ATOM 34823 H1 TIP3 8297 59.157 48.375 -13.039 1.00 0.00 WT2 H ATOM 34824 H2 TIP3 8297 58.186 47.528 -13.833 1.00 0.00 WT2 H ATOM 34825 OH2 TIP3 8300 64.033 93.133 39.466 1.00 0.00 WT2 O ATOM 34826 H1 TIP3 8300 64.112 93.599 38.633 1.00 0.00 WT2 H ATOM 34827 H2 TIP3 8300 63.177 92.708 39.423 1.00 0.00 WT2 H ATOM 34828 OH2 TIP3 8301 69.267 51.720 -19.511 1.00 0.00 WT2 O ATOM 34829 H1 TIP3 8301 69.872 52.315 -19.069 1.00 0.00 WT2 H ATOM 34830 H2 TIP3 8301 68.699 52.293 -20.027 1.00 0.00 WT2 H ATOM 34831 OH2 TIP3 8302 47.566 38.447 44.069 1.00 0.00 WT2 O ATOM 34832 H1 TIP3 8302 48.495 38.580 44.262 1.00 0.00 WT2 H ATOM 34833 H2 TIP3 8302 47.153 38.361 44.928 1.00 0.00 WT2 H ATOM 34834 OH2 TIP3 8305 50.918 8.685 10.744 1.00 0.00 WT2 O ATOM 34835 H1 TIP3 8305 50.556 9.102 11.526 1.00 0.00 WT2 H ATOM 34836 H2 TIP3 8305 50.161 8.288 10.312 1.00 0.00 WT2 H ATOM 34837 OH2 TIP3 8315 36.465 37.188 -1.358 1.00 0.00 WT2 O ATOM 34838 H1 TIP3 8315 37.371 37.099 -1.656 1.00 0.00 WT2 H ATOM 34839 H2 TIP3 8315 36.144 37.976 -1.797 1.00 0.00 WT2 H ATOM 34840 OH2 TIP3 8317 59.890 68.746 -6.020 1.00 0.00 WT2 O ATOM 34841 H1 TIP3 8317 59.308 68.831 -5.265 1.00 0.00 WT2 H ATOM 34842 H2 TIP3 8317 60.683 68.343 -5.667 1.00 0.00 WT2 H ATOM 34843 OH2 TIP3 8319 79.294 34.074 27.763 1.00 0.00 WT2 O ATOM 34844 H1 TIP3 8319 78.945 34.885 27.394 1.00 0.00 WT2 H ATOM 34845 H2 TIP3 8319 78.609 33.424 27.603 1.00 0.00 WT2 H ATOM 34846 OH2 TIP3 8322 30.950 72.579 57.993 1.00 0.00 WT2 O ATOM 34847 H1 TIP3 8322 31.213 72.389 57.092 1.00 0.00 WT2 H ATOM 34848 H2 TIP3 8322 31.760 72.517 58.498 1.00 0.00 WT2 H ATOM 34849 OH2 TIP3 8323 57.699 50.172 47.281 1.00 0.00 WT2 O ATOM 34850 H1 TIP3 8323 57.708 49.215 47.245 1.00 0.00 WT2 H ATOM 34851 H2 TIP3 8323 57.210 50.378 48.077 1.00 0.00 WT2 H ATOM 34852 OH2 TIP3 8324 71.687 17.270 52.082 1.00 0.00 WT2 O ATOM 34853 H1 TIP3 8324 72.351 17.940 51.916 1.00 0.00 WT2 H ATOM 34854 H2 TIP3 8324 71.926 16.902 52.933 1.00 0.00 WT2 H ATOM 34855 OH2 TIP3 8325 59.113 61.553 -3.758 1.00 0.00 WT2 O ATOM 34856 H1 TIP3 8325 58.160 61.616 -3.707 1.00 0.00 WT2 H ATOM 34857 H2 TIP3 8325 59.430 62.300 -3.250 1.00 0.00 WT2 H ATOM 34858 OH2 TIP3 8338 29.680 64.515 2.254 1.00 0.00 WT2 O ATOM 34859 H1 TIP3 8338 30.292 65.175 2.577 1.00 0.00 WT2 H ATOM 34860 H2 TIP3 8338 29.942 64.369 1.345 1.00 0.00 WT2 H ATOM 34861 OH2 TIP3 8339 42.448 1.052 54.830 1.00 0.00 WT2 O ATOM 34862 H1 TIP3 8339 43.355 0.852 54.599 1.00 0.00 WT2 H ATOM 34863 H2 TIP3 8339 42.500 1.876 55.315 1.00 0.00 WT2 H ATOM 34864 OH2 TIP3 8344 87.551 88.776 7.194 1.00 0.00 WT2 O ATOM 34865 H1 TIP3 8344 88.315 89.127 6.738 1.00 0.00 WT2 H ATOM 34866 H2 TIP3 8344 87.916 88.194 7.861 1.00 0.00 WT2 H ATOM 34867 OH2 TIP3 8345 25.612 16.744 0.686 1.00 0.00 WT2 O ATOM 34868 H1 TIP3 8345 24.965 16.971 1.354 1.00 0.00 WT2 H ATOM 34869 H2 TIP3 8345 26.028 17.576 0.462 1.00 0.00 WT2 H ATOM 34870 OH2 TIP3 8347 64.451 25.985 35.140 1.00 0.00 WT2 O ATOM 34871 H1 TIP3 8347 64.672 25.918 34.211 1.00 0.00 WT2 H ATOM 34872 H2 TIP3 8347 63.495 26.025 35.156 1.00 0.00 WT2 H ATOM 34873 OH2 TIP3 8362 71.356 96.414 39.270 1.00 0.00 WT2 O ATOM 34874 H1 TIP3 8362 71.313 96.863 40.115 1.00 0.00 WT2 H ATOM 34875 H2 TIP3 8362 71.355 95.483 39.493 1.00 0.00 WT2 H ATOM 34876 OH2 TIP3 8363 73.381 68.340 -10.131 1.00 0.00 WT2 O ATOM 34877 H1 TIP3 8363 72.718 68.366 -10.821 1.00 0.00 WT2 H ATOM 34878 H2 TIP3 8363 73.262 67.485 -9.716 1.00 0.00 WT2 H ATOM 34879 OH2 TIP3 8364 72.605 60.976 15.261 1.00 0.00 WT2 O ATOM 34880 H1 TIP3 8364 71.921 60.988 14.592 1.00 0.00 WT2 H ATOM 34881 H2 TIP3 8364 72.317 60.312 15.887 1.00 0.00 WT2 H ATOM 34882 OH2 TIP3 8365 69.703 78.682 15.840 1.00 0.00 WT2 O ATOM 34883 H1 TIP3 8365 70.144 78.879 15.013 1.00 0.00 WT2 H ATOM 34884 H2 TIP3 8365 70.333 78.148 16.325 1.00 0.00 WT2 H ATOM 34885 OH2 TIP3 8366 70.883 82.916 66.428 1.00 0.00 WT2 O ATOM 34886 H1 TIP3 8366 71.089 83.403 67.226 1.00 0.00 WT2 H ATOM 34887 H2 TIP3 8366 70.560 83.580 65.819 1.00 0.00 WT2 H ATOM 34888 OH2 TIP3 8367 68.492 78.470 21.791 1.00 0.00 WT2 O ATOM 34889 H1 TIP3 8367 68.309 77.833 21.102 1.00 0.00 WT2 H ATOM 34890 H2 TIP3 8367 67.856 78.271 22.478 1.00 0.00 WT2 H ATOM 34891 OH2 TIP3 8377 69.237 81.900 11.871 1.00 0.00 WT2 O ATOM 34892 H1 TIP3 8377 68.501 81.560 12.379 1.00 0.00 WT2 H ATOM 34893 H2 TIP3 8377 68.835 82.281 11.091 1.00 0.00 WT2 H ATOM 34894 OH2 TIP3 8378 45.009 35.086 10.591 1.00 0.00 WT2 O ATOM 34895 H1 TIP3 8378 45.340 34.475 11.250 1.00 0.00 WT2 H ATOM 34896 H2 TIP3 8378 45.607 35.832 10.634 1.00 0.00 WT2 H ATOM 34897 OH2 TIP3 8379 30.484 27.315 2.274 1.00 0.00 WT2 O ATOM 34898 H1 TIP3 8379 30.853 27.291 1.391 1.00 0.00 WT2 H ATOM 34899 H2 TIP3 8379 29.604 27.672 2.156 1.00 0.00 WT2 H ATOM 34900 OH2 TIP3 8380 75.196 30.959 58.038 1.00 0.00 WT2 O ATOM 34901 H1 TIP3 8380 75.424 30.180 57.530 1.00 0.00 WT2 H ATOM 34902 H2 TIP3 8380 75.287 30.686 58.951 1.00 0.00 WT2 H ATOM 34903 OH2 TIP3 8381 81.980 23.867 33.195 1.00 0.00 WT2 O ATOM 34904 H1 TIP3 8381 82.639 23.910 32.502 1.00 0.00 WT2 H ATOM 34905 H2 TIP3 8381 81.225 24.336 32.838 1.00 0.00 WT2 H ATOM 34906 OH2 TIP3 8382 41.418 26.206 -7.888 1.00 0.00 WT2 O ATOM 34907 H1 TIP3 8382 41.489 25.844 -8.771 1.00 0.00 WT2 H ATOM 34908 H2 TIP3 8382 42.249 25.982 -7.469 1.00 0.00 WT2 H ATOM 34909 OH2 TIP3 8383 61.132 57.224 0.766 1.00 0.00 WT2 O ATOM 34910 H1 TIP3 8383 60.875 57.419 -0.135 1.00 0.00 WT2 H ATOM 34911 H2 TIP3 8383 60.326 57.324 1.272 1.00 0.00 WT2 H ATOM 34912 OH2 TIP3 8384 57.754 15.458 32.110 1.00 0.00 WT2 O ATOM 34913 H1 TIP3 8384 57.809 15.065 31.239 1.00 0.00 WT2 H ATOM 34914 H2 TIP3 8384 57.916 16.390 31.963 1.00 0.00 WT2 H ATOM 34915 OH2 TIP3 8385 74.747 46.481 2.057 1.00 0.00 WT2 O ATOM 34916 H1 TIP3 8385 75.443 46.006 1.603 1.00 0.00 WT2 H ATOM 34917 H2 TIP3 8385 74.193 45.796 2.431 1.00 0.00 WT2 H ATOM 34918 OH2 TIP3 8386 79.951 21.797 -5.392 1.00 0.00 WT2 O ATOM 34919 H1 TIP3 8386 80.732 21.552 -4.896 1.00 0.00 WT2 H ATOM 34920 H2 TIP3 8386 79.642 22.600 -4.972 1.00 0.00 WT2 H ATOM 34921 OH2 TIP3 8388 38.030 24.010 4.448 1.00 0.00 WT2 O ATOM 34922 H1 TIP3 8388 37.512 24.815 4.465 1.00 0.00 WT2 H ATOM 34923 H2 TIP3 8388 37.405 23.318 4.662 1.00 0.00 WT2 H ATOM 34924 OH2 TIP3 8389 64.183 26.792 -11.260 1.00 0.00 WT2 O ATOM 34925 H1 TIP3 8389 64.903 27.064 -10.691 1.00 0.00 WT2 H ATOM 34926 H2 TIP3 8389 63.887 27.602 -11.675 1.00 0.00 WT2 H ATOM 34927 OH2 TIP3 8390 79.907 78.161 24.097 1.00 0.00 WT2 O ATOM 34928 H1 TIP3 8390 80.696 77.621 24.142 1.00 0.00 WT2 H ATOM 34929 H2 TIP3 8390 79.261 77.686 24.620 1.00 0.00 WT2 H ATOM 34930 OH2 TIP3 8403 39.101 79.515 58.856 1.00 0.00 WT2 O ATOM 34931 H1 TIP3 8403 38.990 78.564 58.889 1.00 0.00 WT2 H ATOM 34932 H2 TIP3 8403 39.131 79.721 57.922 1.00 0.00 WT2 H ATOM 34933 OH2 TIP3 8405 37.001 78.872 29.835 1.00 0.00 WT2 O ATOM 34934 H1 TIP3 8405 37.859 78.453 29.764 1.00 0.00 WT2 H ATOM 34935 H2 TIP3 8405 36.687 78.628 30.706 1.00 0.00 WT2 H ATOM 34936 OH2 TIP3 8411 24.659 16.570 51.477 1.00 0.00 WT2 O ATOM 34937 H1 TIP3 8411 24.774 15.923 50.781 1.00 0.00 WT2 H ATOM 34938 H2 TIP3 8411 25.338 17.224 51.312 1.00 0.00 WT2 H ATOM 34939 OH2 TIP3 8425 49.706 96.383 64.891 1.00 0.00 WT2 O ATOM 34940 H1 TIP3 8425 49.527 96.409 63.951 1.00 0.00 WT2 H ATOM 34941 H2 TIP3 8425 49.023 96.930 65.280 1.00 0.00 WT2 H ATOM 34942 OH2 TIP3 8427 59.815 20.383 -10.987 1.00 0.00 WT2 O ATOM 34943 H1 TIP3 8427 60.568 19.882 -10.673 1.00 0.00 WT2 H ATOM 34944 H2 TIP3 8427 59.307 20.574 -10.198 1.00 0.00 WT2 H ATOM 34945 OH2 TIP3 8428 69.010 60.814 27.321 1.00 0.00 WT2 O ATOM 34946 H1 TIP3 8428 69.524 61.612 27.439 1.00 0.00 WT2 H ATOM 34947 H2 TIP3 8428 68.106 61.119 27.245 1.00 0.00 WT2 H ATOM 34948 OH2 TIP3 8431 81.814 51.899 30.266 1.00 0.00 WT2 O ATOM 34949 H1 TIP3 8431 82.218 51.102 29.921 1.00 0.00 WT2 H ATOM 34950 H2 TIP3 8431 81.513 52.370 29.489 1.00 0.00 WT2 H ATOM 34951 OH2 TIP3 8441 59.224 42.235 48.201 1.00 0.00 WT2 O ATOM 34952 H1 TIP3 8441 59.829 42.213 47.459 1.00 0.00 WT2 H ATOM 34953 H2 TIP3 8441 59.520 41.526 48.772 1.00 0.00 WT2 H ATOM 34954 OH2 TIP3 8442 20.351 7.227 34.766 1.00 0.00 WT2 O ATOM 34955 H1 TIP3 8442 20.978 7.416 34.068 1.00 0.00 WT2 H ATOM 34956 H2 TIP3 8442 20.859 6.747 35.420 1.00 0.00 WT2 H ATOM 34957 OH2 TIP3 8444 76.975 12.914 66.428 1.00 0.00 WT2 O ATOM 34958 H1 TIP3 8444 76.414 12.951 67.203 1.00 0.00 WT2 H ATOM 34959 H2 TIP3 8444 77.234 11.995 66.364 1.00 0.00 WT2 H ATOM 34960 OH2 TIP3 8445 30.187 66.247 47.761 1.00 0.00 WT2 O ATOM 34961 H1 TIP3 8445 29.626 65.472 47.719 1.00 0.00 WT2 H ATOM 34962 H2 TIP3 8445 30.969 66.004 47.265 1.00 0.00 WT2 H ATOM 34963 OH2 TIP3 8446 29.909 0.757 65.668 1.00 0.00 WT2 O ATOM 34964 H1 TIP3 8446 30.543 0.214 66.137 1.00 0.00 WT2 H ATOM 34965 H2 TIP3 8446 29.425 1.210 66.358 1.00 0.00 WT2 H ATOM 34966 OH2 TIP3 8449 42.501 17.422 21.580 1.00 0.00 WT2 O ATOM 34967 H1 TIP3 8449 42.556 17.966 20.795 1.00 0.00 WT2 H ATOM 34968 H2 TIP3 8449 42.618 18.035 22.306 1.00 0.00 WT2 H ATOM 34969 OH2 TIP3 8455 34.868 94.288 55.287 1.00 0.00 WT2 O ATOM 34970 H1 TIP3 8455 35.157 94.151 56.189 1.00 0.00 WT2 H ATOM 34971 H2 TIP3 8455 35.657 94.161 54.761 1.00 0.00 WT2 H ATOM 34972 OH2 TIP3 8462 49.016 29.199 44.406 1.00 0.00 WT2 O ATOM 34973 H1 TIP3 8462 49.156 28.616 43.660 1.00 0.00 WT2 H ATOM 34974 H2 TIP3 8462 48.913 30.067 44.016 1.00 0.00 WT2 H ATOM 34975 OH2 TIP3 8463 81.964 12.877 -19.901 1.00 0.00 WT2 O ATOM 34976 H1 TIP3 8463 81.826 12.303 -19.147 1.00 0.00 WT2 H ATOM 34977 H2 TIP3 8463 81.319 13.576 -19.790 1.00 0.00 WT2 H ATOM 34978 OH2 TIP3 8465 29.217 24.896 50.494 1.00 0.00 WT2 O ATOM 34979 H1 TIP3 8465 28.943 24.200 51.091 1.00 0.00 WT2 H ATOM 34980 H2 TIP3 8465 28.403 25.203 50.095 1.00 0.00 WT2 H ATOM 34981 OH2 TIP3 8466 86.166 6.058 64.245 1.00 0.00 WT2 O ATOM 34982 H1 TIP3 8466 86.029 6.353 65.145 1.00 0.00 WT2 H ATOM 34983 H2 TIP3 8466 86.671 6.761 63.836 1.00 0.00 WT2 H ATOM 34984 OH2 TIP3 8468 59.360 56.033 -7.811 1.00 0.00 WT2 O ATOM 34985 H1 TIP3 8468 59.029 56.420 -7.001 1.00 0.00 WT2 H ATOM 34986 H2 TIP3 8468 58.575 55.753 -8.282 1.00 0.00 WT2 H ATOM 34987 OH2 TIP3 8471 45.009 63.123 -15.108 1.00 0.00 WT2 O ATOM 34988 H1 TIP3 8471 44.521 63.637 -15.751 1.00 0.00 WT2 H ATOM 34989 H2 TIP3 8471 44.838 63.558 -14.272 1.00 0.00 WT2 H ATOM 34990 OH2 TIP3 8486 67.243 20.942 -3.122 1.00 0.00 WT2 O ATOM 34991 H1 TIP3 8486 66.656 21.660 -2.885 1.00 0.00 WT2 H ATOM 34992 H2 TIP3 8486 67.777 20.801 -2.340 1.00 0.00 WT2 H ATOM 34993 OH2 TIP3 8487 51.713 15.760 -1.113 1.00 0.00 WT2 O ATOM 34994 H1 TIP3 8487 51.429 16.631 -1.391 1.00 0.00 WT2 H ATOM 34995 H2 TIP3 8487 51.627 15.773 -0.160 1.00 0.00 WT2 H ATOM 34996 OH2 TIP3 8488 49.356 52.758 45.465 1.00 0.00 WT2 O ATOM 34997 H1 TIP3 8488 49.116 51.862 45.228 1.00 0.00 WT2 H ATOM 34998 H2 TIP3 8488 49.507 53.196 44.628 1.00 0.00 WT2 H ATOM 34999 OH2 TIP3 8489 84.699 3.672 -1.719 1.00 0.00 WT2 O ATOM 35000 H1 TIP3 8489 84.807 4.296 -1.001 1.00 0.00 WT2 H ATOM 35001 H2 TIP3 8489 85.180 4.061 -2.449 1.00 0.00 WT2 H ATOM 35002 OH2 TIP3 8490 65.038 92.965 -10.843 1.00 0.00 WT2 O ATOM 35003 H1 TIP3 8490 64.574 93.086 -11.671 1.00 0.00 WT2 H ATOM 35004 H2 TIP3 8490 65.924 92.707 -11.099 1.00 0.00 WT2 H ATOM 35005 OH2 TIP3 8493 71.059 58.322 -6.699 1.00 0.00 WT2 O ATOM 35006 H1 TIP3 8493 71.305 59.051 -6.129 1.00 0.00 WT2 H ATOM 35007 H2 TIP3 8493 71.728 57.657 -6.539 1.00 0.00 WT2 H ATOM 35008 OH2 TIP3 8504 89.333 56.720 -3.257 1.00 0.00 WT2 O ATOM 35009 H1 TIP3 8504 90.038 56.281 -2.780 1.00 0.00 WT2 H ATOM 35010 H2 TIP3 8504 89.069 57.441 -2.685 1.00 0.00 WT2 H ATOM 35011 OH2 TIP3 8505 49.602 45.507 -1.701 1.00 0.00 WT2 O ATOM 35012 H1 TIP3 8505 49.472 46.421 -1.954 1.00 0.00 WT2 H ATOM 35013 H2 TIP3 8505 50.525 45.334 -1.891 1.00 0.00 WT2 H ATOM 35014 OH2 TIP3 8506 54.105 47.640 2.288 1.00 0.00 WT2 O ATOM 35015 H1 TIP3 8506 54.961 48.014 2.497 1.00 0.00 WT2 H ATOM 35016 H2 TIP3 8506 54.050 46.851 2.828 1.00 0.00 WT2 H ATOM 35017 OH2 TIP3 8507 41.131 39.309 66.576 1.00 0.00 WT2 O ATOM 35018 H1 TIP3 8507 41.951 39.671 66.241 1.00 0.00 WT2 H ATOM 35019 H2 TIP3 8507 40.626 39.092 65.792 1.00 0.00 WT2 H ATOM 35020 OH2 TIP3 8508 42.542 38.697 38.714 1.00 0.00 WT2 O ATOM 35021 H1 TIP3 8508 42.818 39.532 39.092 1.00 0.00 WT2 H ATOM 35022 H2 TIP3 8508 43.253 38.455 38.120 1.00 0.00 WT2 H ATOM 35023 OH2 TIP3 8509 31.280 80.094 39.542 1.00 0.00 WT2 O ATOM 35024 H1 TIP3 8509 32.200 79.828 39.569 1.00 0.00 WT2 H ATOM 35025 H2 TIP3 8509 31.254 80.915 40.033 1.00 0.00 WT2 H ATOM 35026 OH2 TIP3 8513 53.122 10.680 -12.800 1.00 0.00 WT2 O ATOM 35027 H1 TIP3 8513 52.888 9.783 -12.563 1.00 0.00 WT2 H ATOM 35028 H2 TIP3 8513 52.384 10.990 -13.326 1.00 0.00 WT2 H ATOM 35029 OH2 TIP3 8515 54.054 0.293 41.272 1.00 0.00 WT2 O ATOM 35030 H1 TIP3 8515 54.127 0.761 40.440 1.00 0.00 WT2 H ATOM 35031 H2 TIP3 8515 53.442 -0.421 41.093 1.00 0.00 WT2 H ATOM 35032 OH2 TIP3 8516 54.650 7.267 -12.924 1.00 0.00 WT2 O ATOM 35033 H1 TIP3 8516 55.556 6.992 -13.066 1.00 0.00 WT2 H ATOM 35034 H2 TIP3 8516 54.437 7.798 -13.691 1.00 0.00 WT2 H ATOM 35035 OH2 TIP3 8528 74.994 38.146 23.793 1.00 0.00 WT2 O ATOM 35036 H1 TIP3 8528 74.587 38.998 23.640 1.00 0.00 WT2 H ATOM 35037 H2 TIP3 8528 74.957 38.029 24.743 1.00 0.00 WT2 H ATOM 35038 OH2 TIP3 8529 79.579 40.264 56.712 1.00 0.00 WT2 O ATOM 35039 H1 TIP3 8529 79.272 41.061 56.279 1.00 0.00 WT2 H ATOM 35040 H2 TIP3 8529 78.841 39.658 56.649 1.00 0.00 WT2 H ATOM 35041 OH2 TIP3 8530 78.189 69.866 -1.175 1.00 0.00 WT2 O ATOM 35042 H1 TIP3 8530 78.514 69.455 -0.373 1.00 0.00 WT2 H ATOM 35043 H2 TIP3 8530 77.379 69.397 -1.373 1.00 0.00 WT2 H ATOM 35044 OH2 TIP3 8531 38.084 55.482 -10.099 1.00 0.00 WT2 O ATOM 35045 H1 TIP3 8531 38.233 56.074 -9.362 1.00 0.00 WT2 H ATOM 35046 H2 TIP3 8531 38.926 55.448 -10.553 1.00 0.00 WT2 H ATOM 35047 OH2 TIP3 8532 75.801 45.934 -13.724 1.00 0.00 WT2 O ATOM 35048 H1 TIP3 8532 75.667 45.617 -12.831 1.00 0.00 WT2 H ATOM 35049 H2 TIP3 8532 75.734 46.886 -13.654 1.00 0.00 WT2 H ATOM 35050 OH2 TIP3 8533 58.149 22.898 24.281 1.00 0.00 WT2 O ATOM 35051 H1 TIP3 8533 57.232 23.170 24.297 1.00 0.00 WT2 H ATOM 35052 H2 TIP3 8533 58.620 23.619 24.699 1.00 0.00 WT2 H ATOM 35053 OH2 TIP3 8534 23.565 89.736 57.210 1.00 0.00 WT2 O ATOM 35054 H1 TIP3 8534 23.163 89.187 56.536 1.00 0.00 WT2 H ATOM 35055 H2 TIP3 8534 23.034 90.532 57.219 1.00 0.00 WT2 H ATOM 35056 OH2 TIP3 8535 75.355 56.048 62.629 1.00 0.00 WT2 O ATOM 35057 H1 TIP3 8535 74.593 55.469 62.613 1.00 0.00 WT2 H ATOM 35058 H2 TIP3 8535 75.326 56.505 61.789 1.00 0.00 WT2 H ATOM 35059 OH2 TIP3 8536 72.040 82.971 8.545 1.00 0.00 WT2 O ATOM 35060 H1 TIP3 8536 71.396 82.418 8.988 1.00 0.00 WT2 H ATOM 35061 H2 TIP3 8536 71.622 83.830 8.491 1.00 0.00 WT2 H ATOM 35062 OH2 TIP3 8539 66.865 58.116 -17.076 1.00 0.00 WT2 O ATOM 35063 H1 TIP3 8539 67.475 57.413 -16.852 1.00 0.00 WT2 H ATOM 35064 H2 TIP3 8539 66.003 57.700 -17.058 1.00 0.00 WT2 H ATOM 35065 OH2 TIP3 8543 62.349 43.611 54.875 1.00 0.00 WT2 O ATOM 35066 H1 TIP3 8543 63.281 43.656 54.661 1.00 0.00 WT2 H ATOM 35067 H2 TIP3 8543 61.949 44.308 54.355 1.00 0.00 WT2 H ATOM 35068 OH2 TIP3 8548 21.395 10.365 40.535 1.00 0.00 WT2 O ATOM 35069 H1 TIP3 8548 21.242 11.131 41.090 1.00 0.00 WT2 H ATOM 35070 H2 TIP3 8548 21.306 10.695 39.641 1.00 0.00 WT2 H ATOM 35071 OH2 TIP3 8549 51.015 15.803 41.775 1.00 0.00 WT2 O ATOM 35072 H1 TIP3 8549 50.141 16.190 41.841 1.00 0.00 WT2 H ATOM 35073 H2 TIP3 8549 50.987 15.046 42.361 1.00 0.00 WT2 H ATOM 35074 OH2 TIP3 8550 43.035 80.177 24.740 1.00 0.00 WT2 O ATOM 35075 H1 TIP3 8550 42.737 79.296 24.965 1.00 0.00 WT2 H ATOM 35076 H2 TIP3 8550 43.976 80.163 24.912 1.00 0.00 WT2 H ATOM 35077 OH2 TIP3 8551 33.653 96.206 38.872 1.00 0.00 WT2 O ATOM 35078 H1 TIP3 8551 33.151 95.938 39.643 1.00 0.00 WT2 H ATOM 35079 H2 TIP3 8551 33.792 95.395 38.383 1.00 0.00 WT2 H ATOM 35080 OH2 TIP3 8553 32.596 6.024 55.737 1.00 0.00 WT2 O ATOM 35081 H1 TIP3 8553 32.292 5.134 55.556 1.00 0.00 WT2 H ATOM 35082 H2 TIP3 8553 33.544 5.983 55.610 1.00 0.00 WT2 H ATOM 35083 OH2 TIP3 8554 67.729 34.967 61.524 1.00 0.00 WT2 O ATOM 35084 H1 TIP3 8554 68.071 35.860 61.522 1.00 0.00 WT2 H ATOM 35085 H2 TIP3 8554 67.335 34.858 60.658 1.00 0.00 WT2 H ATOM 35086 OH2 TIP3 8556 35.434 26.097 35.784 1.00 0.00 WT2 O ATOM 35087 H1 TIP3 8556 35.657 27.028 35.786 1.00 0.00 WT2 H ATOM 35088 H2 TIP3 8556 35.096 25.929 36.664 1.00 0.00 WT2 H ATOM 35089 OH2 TIP3 8558 73.154 51.233 65.832 1.00 0.00 WT2 O ATOM 35090 H1 TIP3 8558 72.601 50.981 65.093 1.00 0.00 WT2 H ATOM 35091 H2 TIP3 8558 73.605 52.024 65.537 1.00 0.00 WT2 H ATOM 35092 OH2 TIP3 8571 90.063 63.147 -13.644 1.00 0.00 WT2 O ATOM 35093 H1 TIP3 8571 90.858 63.680 -13.614 1.00 0.00 WT2 H ATOM 35094 H2 TIP3 8571 89.382 63.750 -13.943 1.00 0.00 WT2 H ATOM 35095 OH2 TIP3 8572 79.055 23.213 13.821 1.00 0.00 WT2 O ATOM 35096 H1 TIP3 8572 79.645 23.180 14.575 1.00 0.00 WT2 H ATOM 35097 H2 TIP3 8572 78.269 23.648 14.150 1.00 0.00 WT2 H ATOM 35098 OH2 TIP3 8573 49.400 25.544 32.479 1.00 0.00 WT2 O ATOM 35099 H1 TIP3 8573 50.038 26.191 32.179 1.00 0.00 WT2 H ATOM 35100 H2 TIP3 8573 48.616 25.720 31.959 1.00 0.00 WT2 H ATOM 35101 OH2 TIP3 8574 52.298 25.370 38.352 1.00 0.00 WT2 O ATOM 35102 H1 TIP3 8574 51.403 25.216 38.654 1.00 0.00 WT2 H ATOM 35103 H2 TIP3 8574 52.243 26.174 37.835 1.00 0.00 WT2 H ATOM 35104 OH2 TIP3 8576 25.745 60.855 23.623 1.00 0.00 WT2 O ATOM 35105 H1 TIP3 8576 26.338 61.368 23.073 1.00 0.00 WT2 H ATOM 35106 H2 TIP3 8576 26.320 60.260 24.105 1.00 0.00 WT2 H ATOM 35107 OH2 TIP3 8589 53.732 50.980 -17.806 1.00 0.00 WT2 O ATOM 35108 H1 TIP3 8589 54.246 50.512 -17.148 1.00 0.00 WT2 H ATOM 35109 H2 TIP3 8589 53.056 50.357 -18.070 1.00 0.00 WT2 H ATOM 35110 OH2 TIP3 8590 78.932 89.730 34.554 1.00 0.00 WT2 O ATOM 35111 H1 TIP3 8590 79.471 90.489 34.779 1.00 0.00 WT2 H ATOM 35112 H2 TIP3 8590 78.193 90.097 34.069 1.00 0.00 WT2 H ATOM 35113 OH2 TIP3 8592 74.664 71.430 44.138 1.00 0.00 WT2 O ATOM 35114 H1 TIP3 8592 74.644 70.491 43.953 1.00 0.00 WT2 H ATOM 35115 H2 TIP3 8592 74.228 71.831 43.386 1.00 0.00 WT2 H ATOM 35116 OH2 TIP3 8593 86.747 36.302 40.712 1.00 0.00 WT2 O ATOM 35117 H1 TIP3 8593 87.064 35.402 40.788 1.00 0.00 WT2 H ATOM 35118 H2 TIP3 8593 87.402 36.827 41.172 1.00 0.00 WT2 H ATOM 35119 OH2 TIP3 8594 68.309 6.418 19.203 1.00 0.00 WT2 O ATOM 35120 H1 TIP3 8594 67.941 7.075 18.612 1.00 0.00 WT2 H ATOM 35121 H2 TIP3 8594 67.545 5.975 19.573 1.00 0.00 WT2 H ATOM 35122 OH2 TIP3 8611 30.982 12.591 24.678 1.00 0.00 WT2 O ATOM 35123 H1 TIP3 8611 30.799 12.146 23.850 1.00 0.00 WT2 H ATOM 35124 H2 TIP3 8611 31.401 13.413 24.421 1.00 0.00 WT2 H ATOM 35125 OH2 TIP3 8613 74.733 89.388 4.313 1.00 0.00 WT2 O ATOM 35126 H1 TIP3 8613 75.553 89.231 4.780 1.00 0.00 WT2 H ATOM 35127 H2 TIP3 8613 74.090 89.551 5.004 1.00 0.00 WT2 H ATOM 35128 OH2 TIP3 8616 71.313 63.449 0.471 1.00 0.00 WT2 O ATOM 35129 H1 TIP3 8616 70.780 63.937 1.099 1.00 0.00 WT2 H ATOM 35130 H2 TIP3 8616 71.499 62.618 0.908 1.00 0.00 WT2 H ATOM 35131 OH2 TIP3 8617 72.155 43.713 58.272 1.00 0.00 WT2 O ATOM 35132 H1 TIP3 8617 72.192 43.597 57.322 1.00 0.00 WT2 H ATOM 35133 H2 TIP3 8617 71.980 44.646 58.393 1.00 0.00 WT2 H ATOM 35134 OH2 TIP3 8618 81.456 15.305 60.813 1.00 0.00 WT2 O ATOM 35135 H1 TIP3 8618 81.228 14.382 60.921 1.00 0.00 WT2 H ATOM 35136 H2 TIP3 8618 82.226 15.297 60.244 1.00 0.00 WT2 H ATOM 35137 OH2 TIP3 8619 88.979 30.040 44.013 1.00 0.00 WT2 O ATOM 35138 H1 TIP3 8619 88.666 29.212 44.379 1.00 0.00 WT2 H ATOM 35139 H2 TIP3 8619 89.933 29.960 44.020 1.00 0.00 WT2 H ATOM 35140 OH2 TIP3 8631 82.309 43.054 51.923 1.00 0.00 WT2 O ATOM 35141 H1 TIP3 8631 82.786 43.376 51.158 1.00 0.00 WT2 H ATOM 35142 H2 TIP3 8631 81.412 43.363 51.795 1.00 0.00 WT2 H ATOM 35143 OH2 TIP3 8632 67.956 42.240 46.701 1.00 0.00 WT2 O ATOM 35144 H1 TIP3 8632 68.094 43.149 46.437 1.00 0.00 WT2 H ATOM 35145 H2 TIP3 8632 67.014 42.102 46.605 1.00 0.00 WT2 H ATOM 35146 OH2 TIP3 8633 51.665 18.367 59.064 1.00 0.00 WT2 O ATOM 35147 H1 TIP3 8633 52.307 18.606 58.395 1.00 0.00 WT2 H ATOM 35148 H2 TIP3 8633 50.824 18.641 58.698 1.00 0.00 WT2 H ATOM 35149 OH2 TIP3 8634 80.815 21.045 41.776 1.00 0.00 WT2 O ATOM 35150 H1 TIP3 8634 81.672 21.127 42.193 1.00 0.00 WT2 H ATOM 35151 H2 TIP3 8634 80.377 20.346 42.262 1.00 0.00 WT2 H ATOM 35152 OH2 TIP3 8636 60.739 50.639 54.965 1.00 0.00 WT2 O ATOM 35153 H1 TIP3 8636 60.430 49.800 55.306 1.00 0.00 WT2 H ATOM 35154 H2 TIP3 8636 59.966 51.033 54.559 1.00 0.00 WT2 H ATOM 35155 OH2 TIP3 8638 29.449 32.976 51.218 1.00 0.00 WT2 O ATOM 35156 H1 TIP3 8638 29.526 33.769 50.689 1.00 0.00 WT2 H ATOM 35157 H2 TIP3 8638 28.524 32.739 51.163 1.00 0.00 WT2 H ATOM 35158 OH2 TIP3 8640 66.592 22.137 39.683 1.00 0.00 WT2 O ATOM 35159 H1 TIP3 8640 65.641 22.244 39.715 1.00 0.00 WT2 H ATOM 35160 H2 TIP3 8640 66.900 22.476 40.523 1.00 0.00 WT2 H ATOM 35161 OH2 TIP3 8653 26.937 36.323 18.239 1.00 0.00 WT2 O ATOM 35162 H1 TIP3 8653 26.428 37.109 18.038 1.00 0.00 WT2 H ATOM 35163 H2 TIP3 8653 26.314 35.738 18.670 1.00 0.00 WT2 H ATOM 35164 OH2 TIP3 8654 73.541 56.212 -8.875 1.00 0.00 WT2 O ATOM 35165 H1 TIP3 8654 73.094 55.384 -9.049 1.00 0.00 WT2 H ATOM 35166 H2 TIP3 8654 73.490 56.318 -7.925 1.00 0.00 WT2 H ATOM 35167 OH2 TIP3 8655 86.651 70.038 35.482 1.00 0.00 WT2 O ATOM 35168 H1 TIP3 8655 86.580 70.944 35.181 1.00 0.00 WT2 H ATOM 35169 H2 TIP3 8655 86.553 69.514 34.688 1.00 0.00 WT2 H ATOM 35170 OH2 TIP3 8656 86.007 13.650 -13.257 1.00 0.00 WT2 O ATOM 35171 H1 TIP3 8656 85.596 13.528 -14.114 1.00 0.00 WT2 H ATOM 35172 H2 TIP3 8656 86.785 14.177 -13.437 1.00 0.00 WT2 H ATOM 35173 OH2 TIP3 8657 30.195 39.855 37.014 1.00 0.00 WT2 O ATOM 35174 H1 TIP3 8657 29.678 40.661 37.021 1.00 0.00 WT2 H ATOM 35175 H2 TIP3 8657 29.561 39.165 36.816 1.00 0.00 WT2 H ATOM 35176 OH2 TIP3 8659 34.582 48.112 -19.954 1.00 0.00 WT2 O ATOM 35177 H1 TIP3 8659 35.335 48.162 -19.367 1.00 0.00 WT2 H ATOM 35178 H2 TIP3 8659 33.852 48.457 -19.439 1.00 0.00 WT2 H ATOM 35179 OH2 TIP3 8660 58.228 60.476 46.172 1.00 0.00 WT2 O ATOM 35180 H1 TIP3 8660 58.444 61.397 46.314 1.00 0.00 WT2 H ATOM 35181 H2 TIP3 8660 58.481 60.042 46.988 1.00 0.00 WT2 H ATOM 35182 OH2 TIP3 8662 86.173 51.560 -2.423 1.00 0.00 WT2 O ATOM 35183 H1 TIP3 8662 85.740 51.358 -3.252 1.00 0.00 WT2 H ATOM 35184 H2 TIP3 8662 85.507 51.392 -1.757 1.00 0.00 WT2 H ATOM 35185 OH2 TIP3 8675 66.725 58.316 49.260 1.00 0.00 WT2 O ATOM 35186 H1 TIP3 8675 67.387 57.759 49.671 1.00 0.00 WT2 H ATOM 35187 H2 TIP3 8675 65.890 57.950 49.551 1.00 0.00 WT2 H ATOM 35188 OH2 TIP3 8676 70.945 87.179 -10.404 1.00 0.00 WT2 O ATOM 35189 H1 TIP3 8676 71.754 87.256 -10.910 1.00 0.00 WT2 H ATOM 35190 H2 TIP3 8676 70.292 86.880 -11.038 1.00 0.00 WT2 H ATOM 35191 OH2 TIP3 8677 35.274 59.123 -16.752 1.00 0.00 WT2 O ATOM 35192 H1 TIP3 8677 35.705 58.531 -16.135 1.00 0.00 WT2 H ATOM 35193 H2 TIP3 8677 35.379 59.992 -16.364 1.00 0.00 WT2 H ATOM 35194 OH2 TIP3 8678 50.586 35.925 -17.726 1.00 0.00 WT2 O ATOM 35195 H1 TIP3 8678 51.128 35.137 -17.672 1.00 0.00 WT2 H ATOM 35196 H2 TIP3 8678 49.694 35.613 -17.574 1.00 0.00 WT2 H ATOM 35197 OH2 TIP3 8679 21.428 46.796 43.758 1.00 0.00 WT2 O ATOM 35198 H1 TIP3 8679 20.683 46.204 43.868 1.00 0.00 WT2 H ATOM 35199 H2 TIP3 8679 21.101 47.492 43.189 1.00 0.00 WT2 H ATOM 35200 OH2 TIP3 8681 36.522 95.620 -4.718 1.00 0.00 WT2 O ATOM 35201 H1 TIP3 8681 35.574 95.530 -4.816 1.00 0.00 WT2 H ATOM 35202 H2 TIP3 8681 36.791 94.827 -4.255 1.00 0.00 WT2 H ATOM 35203 OH2 TIP3 8682 42.137 31.963 -2.729 1.00 0.00 WT2 O ATOM 35204 H1 TIP3 8682 41.197 31.830 -2.610 1.00 0.00 WT2 H ATOM 35205 H2 TIP3 8682 42.527 31.113 -2.523 1.00 0.00 WT2 H ATOM 35206 OH2 TIP3 8683 22.997 10.615 42.887 1.00 0.00 WT2 O ATOM 35207 H1 TIP3 8683 23.481 11.427 43.041 1.00 0.00 WT2 H ATOM 35208 H2 TIP3 8683 22.864 10.591 41.939 1.00 0.00 WT2 H ATOM 35209 OH2 TIP3 8684 80.779 27.998 56.830 1.00 0.00 WT2 O ATOM 35210 H1 TIP3 8684 81.063 28.349 55.986 1.00 0.00 WT2 H ATOM 35211 H2 TIP3 8684 80.624 27.068 56.664 1.00 0.00 WT2 H ATOM 35212 OH2 TIP3 8691 66.791 1.084 -5.339 1.00 0.00 WT2 O ATOM 35213 H1 TIP3 8691 66.369 1.125 -6.197 1.00 0.00 WT2 H ATOM 35214 H2 TIP3 8691 67.728 1.117 -5.530 1.00 0.00 WT2 H ATOM 35215 OH2 TIP3 8694 27.065 78.876 6.880 1.00 0.00 WT2 O ATOM 35216 H1 TIP3 8694 27.437 78.039 6.602 1.00 0.00 WT2 H ATOM 35217 H2 TIP3 8694 27.372 78.988 7.779 1.00 0.00 WT2 H ATOM 35218 OH2 TIP3 8695 70.732 35.121 20.090 1.00 0.00 WT2 O ATOM 35219 H1 TIP3 8695 70.573 34.463 19.413 1.00 0.00 WT2 H ATOM 35220 H2 TIP3 8695 69.867 35.481 20.283 1.00 0.00 WT2 H ATOM 35221 OH2 TIP3 8696 28.647 52.502 43.174 1.00 0.00 WT2 O ATOM 35222 H1 TIP3 8696 29.035 53.280 42.773 1.00 0.00 WT2 H ATOM 35223 H2 TIP3 8696 29.248 51.791 42.949 1.00 0.00 WT2 H ATOM 35224 OH2 TIP3 8697 71.794 1.232 52.751 1.00 0.00 WT2 O ATOM 35225 H1 TIP3 8697 71.016 1.769 52.905 1.00 0.00 WT2 H ATOM 35226 H2 TIP3 8697 72.216 1.633 51.992 1.00 0.00 WT2 H ATOM 35227 OH2 TIP3 8699 37.174 67.187 7.940 1.00 0.00 WT2 O ATOM 35228 H1 TIP3 8699 37.817 66.494 8.088 1.00 0.00 WT2 H ATOM 35229 H2 TIP3 8699 36.428 66.742 7.538 1.00 0.00 WT2 H ATOM 35230 OH2 TIP3 8700 47.320 6.851 43.495 1.00 0.00 WT2 O ATOM 35231 H1 TIP3 8700 47.496 6.173 44.146 1.00 0.00 WT2 H ATOM 35232 H2 TIP3 8700 47.804 6.570 42.718 1.00 0.00 WT2 H ATOM 35233 OH2 TIP3 8702 77.224 41.024 66.415 1.00 0.00 WT2 O ATOM 35234 H1 TIP3 8702 77.098 41.724 65.775 1.00 0.00 WT2 H ATOM 35235 H2 TIP3 8702 77.625 41.458 67.169 1.00 0.00 WT2 H ATOM 35236 OH2 TIP3 8704 53.456 92.172 57.288 1.00 0.00 WT2 O ATOM 35237 H1 TIP3 8704 53.395 91.815 56.402 1.00 0.00 WT2 H ATOM 35238 H2 TIP3 8704 52.694 92.746 57.368 1.00 0.00 WT2 H ATOM 35239 OH2 TIP3 8715 37.844 30.475 21.431 1.00 0.00 WT2 O ATOM 35240 H1 TIP3 8715 37.781 30.050 20.576 1.00 0.00 WT2 H ATOM 35241 H2 TIP3 8715 36.938 30.544 21.732 1.00 0.00 WT2 H ATOM 35242 OH2 TIP3 8716 64.236 44.485 -6.488 1.00 0.00 WT2 O ATOM 35243 H1 TIP3 8716 63.819 45.343 -6.561 1.00 0.00 WT2 H ATOM 35244 H2 TIP3 8716 63.899 43.990 -7.235 1.00 0.00 WT2 H ATOM 35245 OH2 TIP3 8717 56.934 79.599 42.218 1.00 0.00 WT2 O ATOM 35246 H1 TIP3 8717 56.460 79.216 42.957 1.00 0.00 WT2 H ATOM 35247 H2 TIP3 8717 57.607 78.953 42.004 1.00 0.00 WT2 H ATOM 35248 OH2 TIP3 8718 67.660 51.311 30.750 1.00 0.00 WT2 O ATOM 35249 H1 TIP3 8718 67.525 51.435 31.689 1.00 0.00 WT2 H ATOM 35250 H2 TIP3 8718 66.807 51.494 30.358 1.00 0.00 WT2 H ATOM 35251 OH2 TIP3 8720 65.467 56.392 19.466 1.00 0.00 WT2 O ATOM 35252 H1 TIP3 8720 65.250 55.605 18.967 1.00 0.00 WT2 H ATOM 35253 H2 TIP3 8720 65.043 57.105 18.988 1.00 0.00 WT2 H ATOM 35254 OH2 TIP3 8721 68.929 5.940 47.782 1.00 0.00 WT2 O ATOM 35255 H1 TIP3 8721 68.359 5.289 48.192 1.00 0.00 WT2 H ATOM 35256 H2 TIP3 8721 68.387 6.727 47.719 1.00 0.00 WT2 H ATOM 35257 OH2 TIP3 8722 27.618 39.462 20.696 1.00 0.00 WT2 O ATOM 35258 H1 TIP3 8722 27.742 40.251 21.223 1.00 0.00 WT2 H ATOM 35259 H2 TIP3 8722 26.669 39.333 20.677 1.00 0.00 WT2 H ATOM 35260 OH2 TIP3 8737 63.340 88.337 52.470 1.00 0.00 WT2 O ATOM 35261 H1 TIP3 8737 62.898 88.363 51.621 1.00 0.00 WT2 H ATOM 35262 H2 TIP3 8737 63.875 87.544 52.438 1.00 0.00 WT2 H ATOM 35263 OH2 TIP3 8739 48.855 37.147 -13.295 1.00 0.00 WT2 O ATOM 35264 H1 TIP3 8739 48.989 36.341 -13.795 1.00 0.00 WT2 H ATOM 35265 H2 TIP3 8739 48.209 36.912 -12.629 1.00 0.00 WT2 H ATOM 35266 OH2 TIP3 8740 85.130 67.766 66.221 1.00 0.00 WT2 O ATOM 35267 H1 TIP3 8740 85.975 67.331 66.110 1.00 0.00 WT2 H ATOM 35268 H2 TIP3 8740 84.647 67.563 65.420 1.00 0.00 WT2 H ATOM 35269 OH2 TIP3 8741 77.458 56.042 26.652 1.00 0.00 WT2 O ATOM 35270 H1 TIP3 8741 76.553 56.300 26.477 1.00 0.00 WT2 H ATOM 35271 H2 TIP3 8741 77.579 55.234 26.152 1.00 0.00 WT2 H ATOM 35272 OH2 TIP3 8742 71.672 21.304 37.408 1.00 0.00 WT2 O ATOM 35273 H1 TIP3 8742 72.045 21.763 38.160 1.00 0.00 WT2 H ATOM 35274 H2 TIP3 8742 70.777 21.638 37.343 1.00 0.00 WT2 H ATOM 35275 OH2 TIP3 8743 23.886 1.765 32.062 1.00 0.00 WT2 O ATOM 35276 H1 TIP3 8743 22.975 1.585 32.291 1.00 0.00 WT2 H ATOM 35277 H2 TIP3 8743 24.031 2.668 32.342 1.00 0.00 WT2 H ATOM 35278 OH2 TIP3 8744 50.478 35.009 54.122 1.00 0.00 WT2 O ATOM 35279 H1 TIP3 8744 50.379 34.539 53.294 1.00 0.00 WT2 H ATOM 35280 H2 TIP3 8744 50.057 35.855 53.970 1.00 0.00 WT2 H ATOM 35281 OH2 TIP3 8746 43.980 35.187 20.444 1.00 0.00 WT2 O ATOM 35282 H1 TIP3 8746 44.118 35.057 19.505 1.00 0.00 WT2 H ATOM 35283 H2 TIP3 8746 44.860 35.171 20.820 1.00 0.00 WT2 H ATOM 35284 OH2 TIP3 8754 41.120 58.734 46.499 1.00 0.00 WT2 O ATOM 35285 H1 TIP3 8754 41.494 57.967 46.065 1.00 0.00 WT2 H ATOM 35286 H2 TIP3 8754 41.815 59.391 46.467 1.00 0.00 WT2 H ATOM 35287 OH2 TIP3 8757 63.897 47.822 34.710 1.00 0.00 WT2 O ATOM 35288 H1 TIP3 8757 64.231 47.076 34.213 1.00 0.00 WT2 H ATOM 35289 H2 TIP3 8757 63.243 48.221 34.136 1.00 0.00 WT2 H ATOM 35290 OH2 TIP3 8759 25.697 48.019 -17.165 1.00 0.00 WT2 O ATOM 35291 H1 TIP3 8759 26.330 47.652 -16.548 1.00 0.00 WT2 H ATOM 35292 H2 TIP3 8759 25.164 48.612 -16.637 1.00 0.00 WT2 H ATOM 35293 OH2 TIP3 8760 82.940 7.865 0.330 1.00 0.00 WT2 O ATOM 35294 H1 TIP3 8760 82.623 8.680 -0.057 1.00 0.00 WT2 H ATOM 35295 H2 TIP3 8760 83.736 7.659 -0.161 1.00 0.00 WT2 H ATOM 35296 OH2 TIP3 8761 38.355 49.805 -17.258 1.00 0.00 WT2 O ATOM 35297 H1 TIP3 8761 37.902 50.626 -17.451 1.00 0.00 WT2 H ATOM 35298 H2 TIP3 8761 38.109 49.221 -17.976 1.00 0.00 WT2 H ATOM 35299 OH2 TIP3 8763 73.710 54.002 -18.923 1.00 0.00 WT2 O ATOM 35300 H1 TIP3 8763 72.824 53.664 -19.054 1.00 0.00 WT2 H ATOM 35301 H2 TIP3 8763 73.584 54.918 -18.678 1.00 0.00 WT2 H ATOM 35302 OH2 TIP3 8764 52.610 64.316 -13.422 1.00 0.00 WT2 O ATOM 35303 H1 TIP3 8764 52.443 63.657 -12.747 1.00 0.00 WT2 H ATOM 35304 H2 TIP3 8764 51.755 64.471 -13.823 1.00 0.00 WT2 H ATOM 35305 OH2 TIP3 8767 26.811 92.961 30.120 1.00 0.00 WT2 O ATOM 35306 H1 TIP3 8767 25.921 93.017 29.774 1.00 0.00 WT2 H ATOM 35307 H2 TIP3 8767 26.696 92.742 31.045 1.00 0.00 WT2 H ATOM 35308 OH2 TIP3 8777 70.486 68.507 56.963 1.00 0.00 WT2 O ATOM 35309 H1 TIP3 8777 69.601 68.852 56.843 1.00 0.00 WT2 H ATOM 35310 H2 TIP3 8777 70.904 68.617 56.109 1.00 0.00 WT2 H ATOM 35311 OH2 TIP3 8778 50.913 90.643 25.638 1.00 0.00 WT2 O ATOM 35312 H1 TIP3 8778 51.660 90.363 26.167 1.00 0.00 WT2 H ATOM 35313 H2 TIP3 8778 50.960 91.599 25.643 1.00 0.00 WT2 H ATOM 35314 OH2 TIP3 8780 82.111 93.449 65.821 1.00 0.00 WT2 O ATOM 35315 H1 TIP3 8780 81.781 92.735 65.276 1.00 0.00 WT2 H ATOM 35316 H2 TIP3 8780 81.332 93.953 66.055 1.00 0.00 WT2 H ATOM 35317 OH2 TIP3 8783 35.044 32.315 -13.577 1.00 0.00 WT2 O ATOM 35318 H1 TIP3 8783 35.643 33.002 -13.284 1.00 0.00 WT2 H ATOM 35319 H2 TIP3 8783 34.728 31.911 -12.768 1.00 0.00 WT2 H ATOM 35320 OH2 TIP3 8785 82.741 25.223 45.891 1.00 0.00 WT2 O ATOM 35321 H1 TIP3 8785 82.818 26.099 45.512 1.00 0.00 WT2 H ATOM 35322 H2 TIP3 8785 83.108 25.310 46.771 1.00 0.00 WT2 H ATOM 35323 OH2 TIP3 8786 81.969 76.145 56.012 1.00 0.00 WT2 O ATOM 35324 H1 TIP3 8786 81.045 75.997 56.212 1.00 0.00 WT2 H ATOM 35325 H2 TIP3 8786 82.360 76.390 56.851 1.00 0.00 WT2 H ATOM 35326 OH2 TIP3 8787 49.725 7.460 4.220 1.00 0.00 WT2 O ATOM 35327 H1 TIP3 8787 49.102 7.522 3.496 1.00 0.00 WT2 H ATOM 35328 H2 TIP3 8787 49.698 6.540 4.483 1.00 0.00 WT2 H ATOM 35329 OH2 TIP3 8790 50.480 34.451 -0.877 1.00 0.00 WT2 O ATOM 35330 H1 TIP3 8790 50.591 35.192 -0.281 1.00 0.00 WT2 H ATOM 35331 H2 TIP3 8790 50.365 33.695 -0.301 1.00 0.00 WT2 H ATOM 35332 OH2 TIP3 8797 27.767 57.099 -6.475 1.00 0.00 WT2 O ATOM 35333 H1 TIP3 8797 27.176 57.151 -7.227 1.00 0.00 WT2 H ATOM 35334 H2 TIP3 8797 27.608 56.231 -6.105 1.00 0.00 WT2 H ATOM 35335 OH2 TIP3 8800 42.019 81.537 -16.872 1.00 0.00 WT2 O ATOM 35336 H1 TIP3 8800 41.801 82.061 -16.100 1.00 0.00 WT2 H ATOM 35337 H2 TIP3 8800 42.788 81.032 -16.609 1.00 0.00 WT2 H ATOM 35338 OH2 TIP3 8801 35.581 18.000 52.385 1.00 0.00 WT2 O ATOM 35339 H1 TIP3 8801 36.089 17.290 52.778 1.00 0.00 WT2 H ATOM 35340 H2 TIP3 8801 35.153 17.598 51.629 1.00 0.00 WT2 H ATOM 35341 OH2 TIP3 8802 84.223 59.676 66.167 1.00 0.00 WT2 O ATOM 35342 H1 TIP3 8802 84.852 58.971 66.321 1.00 0.00 WT2 H ATOM 35343 H2 TIP3 8802 83.429 59.230 65.871 1.00 0.00 WT2 H ATOM 35344 OH2 TIP3 8803 70.610 5.413 31.688 1.00 0.00 WT2 O ATOM 35345 H1 TIP3 8803 71.152 6.039 32.170 1.00 0.00 WT2 H ATOM 35346 H2 TIP3 8803 70.261 5.916 30.952 1.00 0.00 WT2 H ATOM 35347 OH2 TIP3 8804 61.941 76.057 66.482 1.00 0.00 WT2 O ATOM 35348 H1 TIP3 8804 61.735 75.441 65.778 1.00 0.00 WT2 H ATOM 35349 H2 TIP3 8804 61.900 75.531 67.281 1.00 0.00 WT2 H ATOM 35350 OH2 TIP3 8806 31.273 29.047 47.144 1.00 0.00 WT2 O ATOM 35351 H1 TIP3 8806 31.351 28.585 46.310 1.00 0.00 WT2 H ATOM 35352 H2 TIP3 8806 31.506 29.953 46.939 1.00 0.00 WT2 H ATOM 35353 OH2 TIP3 8808 41.386 72.130 -12.428 1.00 0.00 WT2 O ATOM 35354 H1 TIP3 8808 41.898 72.529 -11.724 1.00 0.00 WT2 H ATOM 35355 H2 TIP3 8808 41.563 72.677 -13.193 1.00 0.00 WT2 H ATOM 35356 OH2 TIP3 8809 54.654 60.782 58.186 1.00 0.00 WT2 O ATOM 35357 H1 TIP3 8809 54.238 59.933 58.340 1.00 0.00 WT2 H ATOM 35358 H2 TIP3 8809 54.691 60.861 57.233 1.00 0.00 WT2 H ATOM 35359 OH2 TIP3 8811 71.067 56.135 32.137 1.00 0.00 WT2 O ATOM 35360 H1 TIP3 8811 70.974 56.052 31.188 1.00 0.00 WT2 H ATOM 35361 H2 TIP3 8811 70.409 56.784 32.386 1.00 0.00 WT2 H ATOM 35362 OH2 TIP3 8819 29.397 36.896 -15.243 1.00 0.00 WT2 O ATOM 35363 H1 TIP3 8819 28.568 37.162 -15.640 1.00 0.00 WT2 H ATOM 35364 H2 TIP3 8819 29.144 36.451 -14.434 1.00 0.00 WT2 H ATOM 35365 OH2 TIP3 8820 46.000 16.830 21.993 1.00 0.00 WT2 O ATOM 35366 H1 TIP3 8820 45.426 17.510 22.347 1.00 0.00 WT2 H ATOM 35367 H2 TIP3 8820 46.421 17.241 21.238 1.00 0.00 WT2 H ATOM 35368 OH2 TIP3 8822 25.165 5.317 37.731 1.00 0.00 WT2 O ATOM 35369 H1 TIP3 8822 26.080 5.064 37.603 1.00 0.00 WT2 H ATOM 35370 H2 TIP3 8822 24.674 4.503 37.624 1.00 0.00 WT2 H ATOM 35371 OH2 TIP3 8823 70.018 85.810 49.347 1.00 0.00 WT2 O ATOM 35372 H1 TIP3 8823 70.144 84.871 49.485 1.00 0.00 WT2 H ATOM 35373 H2 TIP3 8823 69.121 85.977 49.637 1.00 0.00 WT2 H ATOM 35374 OH2 TIP3 8827 84.905 77.566 -12.831 1.00 0.00 WT2 O ATOM 35375 H1 TIP3 8827 85.659 78.090 -12.559 1.00 0.00 WT2 H ATOM 35376 H2 TIP3 8827 84.604 77.142 -12.027 1.00 0.00 WT2 H ATOM 35377 OH2 TIP3 8829 20.865 81.866 17.755 1.00 0.00 WT2 O ATOM 35378 H1 TIP3 8829 21.362 82.595 18.126 1.00 0.00 WT2 H ATOM 35379 H2 TIP3 8829 20.630 82.158 16.875 1.00 0.00 WT2 H ATOM 35380 OH2 TIP3 8830 22.788 14.745 -12.578 1.00 0.00 WT2 O ATOM 35381 H1 TIP3 8830 23.590 15.264 -12.643 1.00 0.00 WT2 H ATOM 35382 H2 TIP3 8830 22.444 14.943 -11.707 1.00 0.00 WT2 H ATOM 35383 OH2 TIP3 8842 45.610 9.764 33.358 1.00 0.00 WT2 O ATOM 35384 H1 TIP3 8842 46.533 9.605 33.553 1.00 0.00 WT2 H ATOM 35385 H2 TIP3 8842 45.302 8.945 32.970 1.00 0.00 WT2 H ATOM 35386 OH2 TIP3 8843 76.414 84.803 -16.120 1.00 0.00 WT2 O ATOM 35387 H1 TIP3 8843 77.163 84.751 -16.713 1.00 0.00 WT2 H ATOM 35388 H2 TIP3 8843 76.793 85.047 -15.275 1.00 0.00 WT2 H ATOM 35389 OH2 TIP3 8844 46.278 84.618 40.461 1.00 0.00 WT2 O ATOM 35390 H1 TIP3 8844 47.073 84.642 39.928 1.00 0.00 WT2 H ATOM 35391 H2 TIP3 8844 45.913 85.500 40.386 1.00 0.00 WT2 H ATOM 35392 OH2 TIP3 8845 72.447 33.558 48.089 1.00 0.00 WT2 O ATOM 35393 H1 TIP3 8845 73.083 32.845 48.036 1.00 0.00 WT2 H ATOM 35394 H2 TIP3 8845 71.735 33.206 48.623 1.00 0.00 WT2 H ATOM 35395 OH2 TIP3 8846 26.611 20.598 -15.471 1.00 0.00 WT2 O ATOM 35396 H1 TIP3 8846 25.862 21.074 -15.829 1.00 0.00 WT2 H ATOM 35397 H2 TIP3 8846 26.887 21.118 -14.716 1.00 0.00 WT2 H ATOM 35398 OH2 TIP3 8847 24.690 94.780 -8.367 1.00 0.00 WT2 O ATOM 35399 H1 TIP3 8847 23.801 94.719 -8.017 1.00 0.00 WT2 H ATOM 35400 H2 TIP3 8847 25.254 94.541 -7.632 1.00 0.00 WT2 H ATOM 35401 OH2 TIP3 8849 56.681 76.357 42.703 1.00 0.00 WT2 O ATOM 35402 H1 TIP3 8849 56.757 75.680 42.031 1.00 0.00 WT2 H ATOM 35403 H2 TIP3 8849 55.989 76.042 43.284 1.00 0.00 WT2 H ATOM 35404 OH2 TIP3 8863 67.488 79.840 61.245 1.00 0.00 WT2 O ATOM 35405 H1 TIP3 8863 67.445 79.171 60.561 1.00 0.00 WT2 H ATOM 35406 H2 TIP3 8863 68.146 80.461 60.932 1.00 0.00 WT2 H ATOM 35407 OH2 TIP3 8865 29.450 46.405 47.298 1.00 0.00 WT2 O ATOM 35408 H1 TIP3 8865 30.002 46.372 48.079 1.00 0.00 WT2 H ATOM 35409 H2 TIP3 8865 30.060 46.572 46.580 1.00 0.00 WT2 H ATOM 35410 OH2 TIP3 8866 87.442 18.307 -2.780 1.00 0.00 WT2 O ATOM 35411 H1 TIP3 8866 88.126 17.696 -3.053 1.00 0.00 WT2 H ATOM 35412 H2 TIP3 8866 86.939 17.827 -2.122 1.00 0.00 WT2 H ATOM 35413 OH2 TIP3 8867 57.065 81.490 -1.660 1.00 0.00 WT2 O ATOM 35414 H1 TIP3 8867 57.283 80.947 -0.903 1.00 0.00 WT2 H ATOM 35415 H2 TIP3 8867 56.620 80.894 -2.262 1.00 0.00 WT2 H ATOM 35416 OH2 TIP3 8868 88.488 58.828 41.489 1.00 0.00 WT2 O ATOM 35417 H1 TIP3 8868 89.368 59.081 41.210 1.00 0.00 WT2 H ATOM 35418 H2 TIP3 8868 87.927 59.548 41.198 1.00 0.00 WT2 H ATOM 35419 OH2 TIP3 8869 79.844 63.952 20.724 1.00 0.00 WT2 O ATOM 35420 H1 TIP3 8869 80.314 64.762 20.922 1.00 0.00 WT2 H ATOM 35421 H2 TIP3 8869 79.378 64.138 19.908 1.00 0.00 WT2 H ATOM 35422 OH2 TIP3 8883 74.678 48.618 61.866 1.00 0.00 WT2 O ATOM 35423 H1 TIP3 8883 74.059 49.345 61.795 1.00 0.00 WT2 H ATOM 35424 H2 TIP3 8883 75.383 48.956 62.418 1.00 0.00 WT2 H ATOM 35425 OH2 TIP3 8884 36.394 38.451 -18.256 1.00 0.00 WT2 O ATOM 35426 H1 TIP3 8884 35.747 39.034 -18.653 1.00 0.00 WT2 H ATOM 35427 H2 TIP3 8884 37.089 39.035 -17.953 1.00 0.00 WT2 H ATOM 35428 OH2 TIP3 8885 23.353 43.696 51.130 1.00 0.00 WT2 O ATOM 35429 H1 TIP3 8885 24.027 44.116 50.596 1.00 0.00 WT2 H ATOM 35430 H2 TIP3 8885 23.433 42.764 50.928 1.00 0.00 WT2 H ATOM 35431 OH2 TIP3 8886 80.488 3.499 10.937 1.00 0.00 WT2 O ATOM 35432 H1 TIP3 8886 81.278 3.136 10.538 1.00 0.00 WT2 H ATOM 35433 H2 TIP3 8886 80.807 4.004 11.686 1.00 0.00 WT2 H ATOM 35434 OH2 TIP3 8887 25.945 45.859 59.494 1.00 0.00 WT2 O ATOM 35435 H1 TIP3 8887 25.658 46.749 59.288 1.00 0.00 WT2 H ATOM 35436 H2 TIP3 8887 25.356 45.295 58.992 1.00 0.00 WT2 H ATOM 35437 OH2 TIP3 8889 68.478 64.121 -3.713 1.00 0.00 WT2 O ATOM 35438 H1 TIP3 8889 67.873 63.491 -4.104 1.00 0.00 WT2 H ATOM 35439 H2 TIP3 8889 69.134 63.582 -3.271 1.00 0.00 WT2 H ATOM 35440 OH2 TIP3 8890 75.783 19.586 -5.623 1.00 0.00 WT2 O ATOM 35441 H1 TIP3 8890 75.069 19.448 -5.001 1.00 0.00 WT2 H ATOM 35442 H2 TIP3 8890 76.515 19.888 -5.085 1.00 0.00 WT2 H ATOM 35443 OH2 TIP3 8891 89.617 78.918 9.745 1.00 0.00 WT2 O ATOM 35444 H1 TIP3 8891 89.468 79.837 9.966 1.00 0.00 WT2 H ATOM 35445 H2 TIP3 8891 90.187 78.593 10.442 1.00 0.00 WT2 H ATOM 35446 OH2 TIP3 8901 31.328 92.736 -2.121 1.00 0.00 WT2 O ATOM 35447 H1 TIP3 8901 30.878 93.560 -1.936 1.00 0.00 WT2 H ATOM 35448 H2 TIP3 8901 31.978 92.962 -2.787 1.00 0.00 WT2 H ATOM 35449 OH2 TIP3 8903 56.843 53.439 52.786 1.00 0.00 WT2 O ATOM 35450 H1 TIP3 8903 55.968 53.825 52.825 1.00 0.00 WT2 H ATOM 35451 H2 TIP3 8903 56.735 52.651 52.253 1.00 0.00 WT2 H ATOM 35452 OH2 TIP3 8905 70.184 5.705 11.659 1.00 0.00 WT2 O ATOM 35453 H1 TIP3 8905 71.075 6.007 11.834 1.00 0.00 WT2 H ATOM 35454 H2 TIP3 8905 70.273 5.116 10.909 1.00 0.00 WT2 H ATOM 35455 OH2 TIP3 8906 85.185 51.664 63.258 1.00 0.00 WT2 O ATOM 35456 H1 TIP3 8906 84.766 51.508 64.104 1.00 0.00 WT2 H ATOM 35457 H2 TIP3 8906 86.123 51.657 63.450 1.00 0.00 WT2 H ATOM 35458 OH2 TIP3 8907 65.650 11.452 55.252 1.00 0.00 WT2 O ATOM 35459 H1 TIP3 8907 64.918 11.551 55.860 1.00 0.00 WT2 H ATOM 35460 H2 TIP3 8907 65.903 12.348 55.032 1.00 0.00 WT2 H ATOM 35461 OH2 TIP3 8908 72.246 5.390 44.677 1.00 0.00 WT2 O ATOM 35462 H1 TIP3 8908 72.967 6.018 44.666 1.00 0.00 WT2 H ATOM 35463 H2 TIP3 8908 71.897 5.439 45.567 1.00 0.00 WT2 H ATOM 35464 OH2 TIP3 8909 84.327 95.126 39.524 1.00 0.00 WT2 O ATOM 35465 H1 TIP3 8909 84.686 94.749 38.720 1.00 0.00 WT2 H ATOM 35466 H2 TIP3 8909 83.798 94.424 39.903 1.00 0.00 WT2 H ATOM 35467 OH2 TIP3 8911 50.819 28.427 46.316 1.00 0.00 WT2 O ATOM 35468 H1 TIP3 8911 50.945 27.786 45.616 1.00 0.00 WT2 H ATOM 35469 H2 TIP3 8911 50.182 29.046 45.961 1.00 0.00 WT2 H ATOM 35470 OH2 TIP3 8913 38.296 88.282 31.495 1.00 0.00 WT2 O ATOM 35471 H1 TIP3 8913 37.387 88.566 31.398 1.00 0.00 WT2 H ATOM 35472 H2 TIP3 8913 38.477 87.780 30.700 1.00 0.00 WT2 H ATOM 35473 OH2 TIP3 8914 47.790 84.330 10.123 1.00 0.00 WT2 O ATOM 35474 H1 TIP3 8914 47.590 83.395 10.162 1.00 0.00 WT2 H ATOM 35475 H2 TIP3 8914 47.865 84.598 11.039 1.00 0.00 WT2 H ATOM 35476 OH2 TIP3 8925 67.541 92.679 33.824 1.00 0.00 WT2 O ATOM 35477 H1 TIP3 8925 67.869 91.788 33.950 1.00 0.00 WT2 H ATOM 35478 H2 TIP3 8925 67.257 92.955 34.696 1.00 0.00 WT2 H ATOM 35479 OH2 TIP3 8926 25.353 13.818 -15.735 1.00 0.00 WT2 O ATOM 35480 H1 TIP3 8926 24.730 13.598 -16.427 1.00 0.00 WT2 H ATOM 35481 H2 TIP3 8926 25.748 14.642 -16.020 1.00 0.00 WT2 H ATOM 35482 OH2 TIP3 8927 23.692 44.594 64.298 1.00 0.00 WT2 O ATOM 35483 H1 TIP3 8927 24.280 45.224 64.715 1.00 0.00 WT2 H ATOM 35484 H2 TIP3 8927 23.890 44.663 63.364 1.00 0.00 WT2 H ATOM 35485 OH2 TIP3 8929 60.947 19.319 62.442 1.00 0.00 WT2 O ATOM 35486 H1 TIP3 8929 60.452 18.565 62.762 1.00 0.00 WT2 H ATOM 35487 H2 TIP3 8929 60.742 19.363 61.509 1.00 0.00 WT2 H ATOM 35488 OH2 TIP3 8930 31.029 89.555 12.234 1.00 0.00 WT2 O ATOM 35489 H1 TIP3 8930 30.674 90.211 12.834 1.00 0.00 WT2 H ATOM 35490 H2 TIP3 8930 31.953 89.786 12.144 1.00 0.00 WT2 H ATOM 35491 OH2 TIP3 8931 81.701 1.754 50.457 1.00 0.00 WT2 O ATOM 35492 H1 TIP3 8931 82.144 2.336 49.840 1.00 0.00 WT2 H ATOM 35493 H2 TIP3 8931 80.870 1.540 50.032 1.00 0.00 WT2 H ATOM 35494 OH2 TIP3 8932 70.785 91.439 -3.699 1.00 0.00 WT2 O ATOM 35495 H1 TIP3 8932 70.208 92.147 -3.414 1.00 0.00 WT2 H ATOM 35496 H2 TIP3 8932 70.654 91.389 -4.646 1.00 0.00 WT2 H ATOM 35497 OH2 TIP3 8935 69.951 5.646 -9.391 1.00 0.00 WT2 O ATOM 35498 H1 TIP3 8935 70.195 4.754 -9.145 1.00 0.00 WT2 H ATOM 35499 H2 TIP3 8935 69.050 5.742 -9.082 1.00 0.00 WT2 H ATOM 35500 OH2 TIP3 8944 68.677 27.162 7.571 1.00 0.00 WT2 O ATOM 35501 H1 TIP3 8944 68.107 27.357 6.827 1.00 0.00 WT2 H ATOM 35502 H2 TIP3 8944 68.247 27.578 8.318 1.00 0.00 WT2 H ATOM 35503 OH2 TIP3 8949 74.580 33.842 17.703 1.00 0.00 WT2 O ATOM 35504 H1 TIP3 8949 74.788 34.678 17.287 1.00 0.00 WT2 H ATOM 35505 H2 TIP3 8949 75.155 33.210 17.271 1.00 0.00 WT2 H ATOM 35506 OH2 TIP3 8950 33.313 61.712 -9.082 1.00 0.00 WT2 O ATOM 35507 H1 TIP3 8950 33.229 61.585 -8.137 1.00 0.00 WT2 H ATOM 35508 H2 TIP3 8950 32.859 60.962 -9.466 1.00 0.00 WT2 H ATOM 35509 OH2 TIP3 8951 39.795 28.856 19.069 1.00 0.00 WT2 O ATOM 35510 H1 TIP3 8951 39.071 28.392 19.489 1.00 0.00 WT2 H ATOM 35511 H2 TIP3 8951 40.308 29.209 19.796 1.00 0.00 WT2 H ATOM 35512 OH2 TIP3 8953 39.186 93.527 18.992 1.00 0.00 WT2 O ATOM 35513 H1 TIP3 8953 39.195 94.267 19.599 1.00 0.00 WT2 H ATOM 35514 H2 TIP3 8953 40.108 93.294 18.884 1.00 0.00 WT2 H ATOM 35515 OH2 TIP3 8954 59.386 1.654 -16.897 1.00 0.00 WT2 O ATOM 35516 H1 TIP3 8954 59.997 1.271 -17.525 1.00 0.00 WT2 H ATOM 35517 H2 TIP3 8954 58.758 0.955 -16.715 1.00 0.00 WT2 H ATOM 35518 OH2 TIP3 8967 79.870 94.065 5.403 1.00 0.00 WT2 O ATOM 35519 H1 TIP3 8967 79.631 94.988 5.494 1.00 0.00 WT2 H ATOM 35520 H2 TIP3 8967 80.827 94.063 5.415 1.00 0.00 WT2 H ATOM 35521 OH2 TIP3 8969 82.359 7.664 65.248 1.00 0.00 WT2 O ATOM 35522 H1 TIP3 8969 82.907 8.151 64.633 1.00 0.00 WT2 H ATOM 35523 H2 TIP3 8969 82.468 6.748 64.993 1.00 0.00 WT2 H ATOM 35524 OH2 TIP3 8970 42.661 84.216 66.843 1.00 0.00 WT2 O ATOM 35525 H1 TIP3 8970 42.121 84.933 67.173 1.00 0.00 WT2 H ATOM 35526 H2 TIP3 8970 42.866 84.465 65.942 1.00 0.00 WT2 H ATOM 35527 OH2 TIP3 8972 54.145 35.284 64.168 1.00 0.00 WT2 O ATOM 35528 H1 TIP3 8972 54.712 34.723 63.638 1.00 0.00 WT2 H ATOM 35529 H2 TIP3 8972 54.733 35.681 64.810 1.00 0.00 WT2 H ATOM 35530 OH2 TIP3 8973 41.637 46.041 50.021 1.00 0.00 WT2 O ATOM 35531 H1 TIP3 8973 42.059 45.196 49.867 1.00 0.00 WT2 H ATOM 35532 H2 TIP3 8973 42.308 46.688 49.804 1.00 0.00 WT2 H ATOM 35533 OH2 TIP3 8974 89.120 51.088 61.776 1.00 0.00 WT2 O ATOM 35534 H1 TIP3 8974 89.929 51.584 61.902 1.00 0.00 WT2 H ATOM 35535 H2 TIP3 8974 89.412 50.190 61.620 1.00 0.00 WT2 H ATOM 35536 OH2 TIP3 8975 68.876 72.888 -4.038 1.00 0.00 WT2 O ATOM 35537 H1 TIP3 8975 69.201 73.775 -4.191 1.00 0.00 WT2 H ATOM 35538 H2 TIP3 8975 68.195 72.993 -3.374 1.00 0.00 WT2 H ATOM 35539 OH2 TIP3 8976 49.061 41.450 -19.590 1.00 0.00 WT2 O ATOM 35540 H1 TIP3 8976 48.123 41.264 -19.607 1.00 0.00 WT2 H ATOM 35541 H2 TIP3 8976 49.119 42.402 -19.669 1.00 0.00 WT2 H ATOM 35542 OH2 TIP3 8977 72.241 35.051 66.033 1.00 0.00 WT2 O ATOM 35543 H1 TIP3 8977 73.060 34.947 66.518 1.00 0.00 WT2 H ATOM 35544 H2 TIP3 8977 72.424 34.677 65.171 1.00 0.00 WT2 H ATOM 35545 OH2 TIP3 8978 76.379 48.794 11.096 1.00 0.00 WT2 O ATOM 35546 H1 TIP3 8978 75.904 48.728 11.924 1.00 0.00 WT2 H ATOM 35547 H2 TIP3 8978 77.272 48.525 11.309 1.00 0.00 WT2 H ATOM 35548 OH2 TIP3 8988 23.650 22.991 42.873 1.00 0.00 WT2 O ATOM 35549 H1 TIP3 8988 24.529 22.996 43.253 1.00 0.00 WT2 H ATOM 35550 H2 TIP3 8988 23.798 22.981 41.927 1.00 0.00 WT2 H ATOM 35551 OH2 TIP3 8990 30.607 54.210 6.735 1.00 0.00 WT2 O ATOM 35552 H1 TIP3 8990 30.980 53.864 7.546 1.00 0.00 WT2 H ATOM 35553 H2 TIP3 8990 31.241 54.865 6.440 1.00 0.00 WT2 H ATOM 35554 OH2 TIP3 8991 89.772 27.041 57.552 1.00 0.00 WT2 O ATOM 35555 H1 TIP3 8991 89.306 27.476 56.838 1.00 0.00 WT2 H ATOM 35556 H2 TIP3 8991 89.917 27.730 58.200 1.00 0.00 WT2 H ATOM 35557 OH2 TIP3 8992 65.530 74.962 -0.602 1.00 0.00 WT2 O ATOM 35558 H1 TIP3 8992 64.932 75.261 0.083 1.00 0.00 WT2 H ATOM 35559 H2 TIP3 8992 66.360 74.814 -0.148 1.00 0.00 WT2 H ATOM 35560 OH2 TIP3 8995 39.320 45.575 48.373 1.00 0.00 WT2 O ATOM 35561 H1 TIP3 8995 38.704 46.251 48.656 1.00 0.00 WT2 H ATOM 35562 H2 TIP3 8995 40.112 45.744 48.885 1.00 0.00 WT2 H ATOM 35563 OH2 TIP3 8996 82.149 64.846 18.954 1.00 0.00 WT2 O ATOM 35564 H1 TIP3 8996 81.787 64.137 18.422 1.00 0.00 WT2 H ATOM 35565 H2 TIP3 8996 82.560 65.435 18.321 1.00 0.00 WT2 H ATOM 35566 OH2 TIP3 8997 80.523 76.626 20.646 1.00 0.00 WT2 O ATOM 35567 H1 TIP3 8997 80.665 76.042 21.391 1.00 0.00 WT2 H ATOM 35568 H2 TIP3 8997 80.520 76.046 19.884 1.00 0.00 WT2 H ATOM 35569 OH2 TIP3 8999 80.404 38.205 -18.390 1.00 0.00 WT2 O ATOM 35570 H1 TIP3 8999 80.247 38.583 -17.525 1.00 0.00 WT2 H ATOM 35571 H2 TIP3 8999 79.544 38.204 -18.811 1.00 0.00 WT2 H ATOM 35572 OH2 TIP3 9008 24.621 8.841 7.645 1.00 0.00 WT2 O ATOM 35573 H1 TIP3 9008 24.083 9.543 8.013 1.00 0.00 WT2 H ATOM 35574 H2 TIP3 9008 25.408 8.832 8.188 1.00 0.00 WT2 H ATOM 35575 OH2 TIP3 9009 29.884 64.667 -12.882 1.00 0.00 WT2 O ATOM 35576 H1 TIP3 9009 30.201 63.903 -12.400 1.00 0.00 WT2 H ATOM 35577 H2 TIP3 9009 30.363 65.405 -12.504 1.00 0.00 WT2 H ATOM 35578 OH2 TIP3 9013 30.511 10.648 66.711 1.00 0.00 WT2 O ATOM 35579 H1 TIP3 9013 30.768 9.876 67.217 1.00 0.00 WT2 H ATOM 35580 H2 TIP3 9013 30.802 11.390 67.242 1.00 0.00 WT2 H ATOM 35581 OH2 TIP3 9014 56.802 62.208 64.537 1.00 0.00 WT2 O ATOM 35582 H1 TIP3 9014 56.500 61.304 64.631 1.00 0.00 WT2 H ATOM 35583 H2 TIP3 9014 56.003 62.713 64.389 1.00 0.00 WT2 H ATOM 35584 OH2 TIP3 9015 40.580 3.899 35.335 1.00 0.00 WT2 O ATOM 35585 H1 TIP3 9015 40.008 3.132 35.337 1.00 0.00 WT2 H ATOM 35586 H2 TIP3 9015 41.466 3.538 35.304 1.00 0.00 WT2 H ATOM 35587 OH2 TIP3 9016 38.017 19.731 -3.554 1.00 0.00 WT2 O ATOM 35588 H1 TIP3 9016 38.943 19.973 -3.586 1.00 0.00 WT2 H ATOM 35589 H2 TIP3 9016 37.584 20.360 -4.131 1.00 0.00 WT2 H ATOM 35590 OH2 TIP3 9019 63.077 92.112 42.845 1.00 0.00 WT2 O ATOM 35591 H1 TIP3 9019 62.751 92.132 43.745 1.00 0.00 WT2 H ATOM 35592 H2 TIP3 9019 64.030 92.132 42.934 1.00 0.00 WT2 H ATOM 35593 OH2 TIP3 9024 50.514 8.607 65.793 1.00 0.00 WT2 O ATOM 35594 H1 TIP3 9024 50.854 8.093 66.526 1.00 0.00 WT2 H ATOM 35595 H2 TIP3 9024 51.283 9.044 65.428 1.00 0.00 WT2 H ATOM 35596 OH2 TIP3 9031 65.562 51.057 19.558 1.00 0.00 WT2 O ATOM 35597 H1 TIP3 9031 65.074 50.863 18.757 1.00 0.00 WT2 H ATOM 35598 H2 TIP3 9031 64.997 51.659 20.043 1.00 0.00 WT2 H ATOM 35599 OH2 TIP3 9033 62.555 13.046 58.906 1.00 0.00 WT2 O ATOM 35600 H1 TIP3 9033 62.488 13.984 59.085 1.00 0.00 WT2 H ATOM 35601 H2 TIP3 9033 62.661 12.644 59.769 1.00 0.00 WT2 H ATOM 35602 OH2 TIP3 9034 31.379 53.588 -17.050 1.00 0.00 WT2 O ATOM 35603 H1 TIP3 9034 31.906 53.827 -16.287 1.00 0.00 WT2 H ATOM 35604 H2 TIP3 9034 31.290 54.402 -17.546 1.00 0.00 WT2 H ATOM 35605 OH2 TIP3 9035 74.844 69.078 64.010 1.00 0.00 WT2 O ATOM 35606 H1 TIP3 9035 74.352 69.514 64.706 1.00 0.00 WT2 H ATOM 35607 H2 TIP3 9035 74.239 68.423 63.663 1.00 0.00 WT2 H ATOM 35608 OH2 TIP3 9036 73.164 84.532 -15.989 1.00 0.00 WT2 O ATOM 35609 H1 TIP3 9036 73.399 85.061 -15.227 1.00 0.00 WT2 H ATOM 35610 H2 TIP3 9036 73.684 83.734 -15.897 1.00 0.00 WT2 H ATOM 35611 OH2 TIP3 9039 20.469 52.542 -16.730 1.00 0.00 WT2 O ATOM 35612 H1 TIP3 9039 21.008 51.794 -16.472 1.00 0.00 WT2 H ATOM 35613 H2 TIP3 9039 20.208 52.350 -17.631 1.00 0.00 WT2 H ATOM 35614 OH2 TIP3 9047 85.517 20.989 38.827 1.00 0.00 WT2 O ATOM 35615 H1 TIP3 9047 85.240 21.887 38.642 1.00 0.00 WT2 H ATOM 35616 H2 TIP3 9047 85.920 20.689 38.012 1.00 0.00 WT2 H ATOM 35617 OH2 TIP3 9051 64.530 63.801 28.783 1.00 0.00 WT2 O ATOM 35618 H1 TIP3 9051 63.900 64.098 29.440 1.00 0.00 WT2 H ATOM 35619 H2 TIP3 9051 64.082 63.927 27.947 1.00 0.00 WT2 H ATOM 35620 OH2 TIP3 9052 67.808 63.132 54.453 1.00 0.00 WT2 O ATOM 35621 H1 TIP3 9052 67.105 62.710 53.958 1.00 0.00 WT2 H ATOM 35622 H2 TIP3 9052 67.422 63.950 54.767 1.00 0.00 WT2 H ATOM 35623 OH2 TIP3 9054 77.503 16.551 56.599 1.00 0.00 WT2 O ATOM 35624 H1 TIP3 9054 76.660 16.449 56.157 1.00 0.00 WT2 H ATOM 35625 H2 TIP3 9054 77.864 15.665 56.634 1.00 0.00 WT2 H ATOM 35626 OH2 TIP3 9055 34.596 56.041 46.813 1.00 0.00 WT2 O ATOM 35627 H1 TIP3 9055 34.944 56.015 47.704 1.00 0.00 WT2 H ATOM 35628 H2 TIP3 9055 35.018 56.802 46.413 1.00 0.00 WT2 H ATOM 35629 OH2 TIP3 9058 54.366 62.297 -8.040 1.00 0.00 WT2 O ATOM 35630 H1 TIP3 9058 54.952 61.883 -7.407 1.00 0.00 WT2 H ATOM 35631 H2 TIP3 9058 53.663 62.670 -7.508 1.00 0.00 WT2 H ATOM 35632 OH2 TIP3 9072 22.082 20.421 61.843 1.00 0.00 WT2 O ATOM 35633 H1 TIP3 9072 21.366 20.665 62.429 1.00 0.00 WT2 H ATOM 35634 H2 TIP3 9072 22.757 21.082 62.000 1.00 0.00 WT2 H ATOM 35635 OH2 TIP3 9073 86.994 51.383 36.089 1.00 0.00 WT2 O ATOM 35636 H1 TIP3 9073 86.063 51.555 36.228 1.00 0.00 WT2 H ATOM 35637 H2 TIP3 9073 87.109 50.466 36.338 1.00 0.00 WT2 H ATOM 35638 OH2 TIP3 9075 41.939 76.716 58.929 1.00 0.00 WT2 O ATOM 35639 H1 TIP3 9075 42.646 76.225 58.510 1.00 0.00 WT2 H ATOM 35640 H2 TIP3 9075 42.142 76.678 59.864 1.00 0.00 WT2 H ATOM 35641 OH2 TIP3 9078 88.342 2.416 64.087 1.00 0.00 WT2 O ATOM 35642 H1 TIP3 9078 87.439 2.649 63.870 1.00 0.00 WT2 H ATOM 35643 H2 TIP3 9078 88.826 3.238 64.014 1.00 0.00 WT2 H ATOM 35644 OH2 TIP3 9079 71.745 10.453 -19.808 1.00 0.00 WT2 O ATOM 35645 H1 TIP3 9079 71.764 9.507 -19.952 1.00 0.00 WT2 H ATOM 35646 H2 TIP3 9079 71.146 10.572 -19.071 1.00 0.00 WT2 H ATOM 35647 OH2 TIP3 9080 30.382 92.336 -9.410 1.00 0.00 WT2 O ATOM 35648 H1 TIP3 9080 30.181 93.074 -9.985 1.00 0.00 WT2 H ATOM 35649 H2 TIP3 9080 29.633 92.284 -8.815 1.00 0.00 WT2 H ATOM 35650 OH2 TIP3 9082 62.763 11.156 -5.751 1.00 0.00 WT2 O ATOM 35651 H1 TIP3 9082 62.727 11.908 -5.160 1.00 0.00 WT2 H ATOM 35652 H2 TIP3 9082 63.555 10.684 -5.491 1.00 0.00 WT2 H ATOM 35653 OH2 TIP3 9092 59.812 44.852 35.207 1.00 0.00 WT2 O ATOM 35654 H1 TIP3 9092 59.523 44.579 34.337 1.00 0.00 WT2 H ATOM 35655 H2 TIP3 9092 60.479 45.518 35.040 1.00 0.00 WT2 H ATOM 35656 OH2 TIP3 9093 23.920 53.524 43.841 1.00 0.00 WT2 O ATOM 35657 H1 TIP3 9093 24.600 52.953 43.485 1.00 0.00 WT2 H ATOM 35658 H2 TIP3 9093 23.889 54.267 43.238 1.00 0.00 WT2 H ATOM 35659 OH2 TIP3 9094 74.584 49.059 52.351 1.00 0.00 WT2 O ATOM 35660 H1 TIP3 9094 74.555 49.968 52.051 1.00 0.00 WT2 H ATOM 35661 H2 TIP3 9094 73.822 48.972 52.924 1.00 0.00 WT2 H ATOM 35662 OH2 TIP3 9096 80.315 21.121 56.385 1.00 0.00 WT2 O ATOM 35663 H1 TIP3 9096 80.039 20.204 56.357 1.00 0.00 WT2 H ATOM 35664 H2 TIP3 9096 80.487 21.348 55.472 1.00 0.00 WT2 H ATOM 35665 OH2 TIP3 9097 28.237 48.972 -12.183 1.00 0.00 WT2 O ATOM 35666 H1 TIP3 9097 28.216 49.696 -11.557 1.00 0.00 WT2 H ATOM 35667 H2 TIP3 9097 27.389 48.540 -12.079 1.00 0.00 WT2 H ATOM 35668 OH2 TIP3 9098 64.245 41.993 37.844 1.00 0.00 WT2 O ATOM 35669 H1 TIP3 9098 64.379 42.245 36.931 1.00 0.00 WT2 H ATOM 35670 H2 TIP3 9098 64.782 41.209 37.958 1.00 0.00 WT2 H ATOM 35671 OH2 TIP3 9099 49.659 8.323 -11.925 1.00 0.00 WT2 O ATOM 35672 H1 TIP3 9099 50.616 8.346 -11.905 1.00 0.00 WT2 H ATOM 35673 H2 TIP3 9099 49.391 8.868 -11.185 1.00 0.00 WT2 H ATOM 35674 OH2 TIP3 9100 86.851 44.251 21.961 1.00 0.00 WT2 O ATOM 35675 H1 TIP3 9100 86.394 43.964 21.171 1.00 0.00 WT2 H ATOM 35676 H2 TIP3 9100 87.274 45.072 21.710 1.00 0.00 WT2 H ATOM 35677 OH2 TIP3 9103 71.650 11.410 2.685 1.00 0.00 WT2 O ATOM 35678 H1 TIP3 9103 71.582 10.930 1.859 1.00 0.00 WT2 H ATOM 35679 H2 TIP3 9103 72.526 11.202 3.012 1.00 0.00 WT2 H ATOM 35680 OH2 TIP3 9110 22.074 50.749 40.978 1.00 0.00 WT2 O ATOM 35681 H1 TIP3 9110 22.770 50.891 41.619 1.00 0.00 WT2 H ATOM 35682 H2 TIP3 9110 22.327 51.284 40.226 1.00 0.00 WT2 H ATOM 35683 OH2 TIP3 9116 21.010 31.552 -2.621 1.00 0.00 WT2 O ATOM 35684 H1 TIP3 9116 21.526 32.347 -2.752 1.00 0.00 WT2 H ATOM 35685 H2 TIP3 9116 21.521 30.862 -3.043 1.00 0.00 WT2 H ATOM 35686 OH2 TIP3 9117 31.504 55.777 26.988 1.00 0.00 WT2 O ATOM 35687 H1 TIP3 9117 32.412 55.907 26.713 1.00 0.00 WT2 H ATOM 35688 H2 TIP3 9117 31.269 56.591 27.433 1.00 0.00 WT2 H ATOM 35689 OH2 TIP3 9120 67.699 78.817 25.987 1.00 0.00 WT2 O ATOM 35690 H1 TIP3 9120 67.421 78.658 25.085 1.00 0.00 WT2 H ATOM 35691 H2 TIP3 9120 67.223 78.166 26.503 1.00 0.00 WT2 H ATOM 35692 OH2 TIP3 9122 78.092 23.582 44.662 1.00 0.00 WT2 O ATOM 35693 H1 TIP3 9122 77.650 23.600 43.813 1.00 0.00 WT2 H ATOM 35694 H2 TIP3 9122 78.137 22.653 44.889 1.00 0.00 WT2 H ATOM 35695 OH2 TIP3 9123 38.948 37.803 16.409 1.00 0.00 WT2 O ATOM 35696 H1 TIP3 9123 39.081 36.972 16.866 1.00 0.00 WT2 H ATOM 35697 H2 TIP3 9123 39.666 38.360 16.710 1.00 0.00 WT2 H ATOM 35698 OH2 TIP3 9124 71.888 46.739 42.962 1.00 0.00 WT2 O ATOM 35699 H1 TIP3 9124 71.923 47.575 43.427 1.00 0.00 WT2 H ATOM 35700 H2 TIP3 9124 71.617 46.969 42.073 1.00 0.00 WT2 H ATOM 35701 OH2 TIP3 9136 86.314 66.395 38.400 1.00 0.00 WT2 O ATOM 35702 H1 TIP3 9136 86.842 67.193 38.386 1.00 0.00 WT2 H ATOM 35703 H2 TIP3 9136 86.864 65.735 37.980 1.00 0.00 WT2 H ATOM 35704 OH2 TIP3 9138 41.731 86.841 -19.349 1.00 0.00 WT2 O ATOM 35705 H1 TIP3 9138 40.878 86.411 -19.289 1.00 0.00 WT2 H ATOM 35706 H2 TIP3 9138 41.592 87.564 -19.961 1.00 0.00 WT2 H ATOM 35707 OH2 TIP3 9139 20.596 6.902 44.391 1.00 0.00 WT2 O ATOM 35708 H1 TIP3 9139 20.720 6.491 45.246 1.00 0.00 WT2 H ATOM 35709 H2 TIP3 9139 20.311 6.188 43.820 1.00 0.00 WT2 H ATOM 35710 OH2 TIP3 9140 89.033 65.566 21.952 1.00 0.00 WT2 O ATOM 35711 H1 TIP3 9140 88.355 64.907 21.803 1.00 0.00 WT2 H ATOM 35712 H2 TIP3 9140 88.555 66.338 22.255 1.00 0.00 WT2 H ATOM 35713 OH2 TIP3 9144 89.634 48.135 56.197 1.00 0.00 WT2 O ATOM 35714 H1 TIP3 9144 88.922 48.305 55.580 1.00 0.00 WT2 H ATOM 35715 H2 TIP3 9144 89.421 47.285 56.581 1.00 0.00 WT2 H ATOM 35716 OH2 TIP3 9145 36.251 28.224 -17.147 1.00 0.00 WT2 O ATOM 35717 H1 TIP3 9145 36.474 27.655 -16.411 1.00 0.00 WT2 H ATOM 35718 H2 TIP3 9145 35.296 28.280 -17.126 1.00 0.00 WT2 H ATOM 35719 OH2 TIP3 9157 26.722 66.022 51.772 1.00 0.00 WT2 O ATOM 35720 H1 TIP3 9157 27.658 66.040 51.573 1.00 0.00 WT2 H ATOM 35721 H2 TIP3 9157 26.310 66.457 51.025 1.00 0.00 WT2 H ATOM 35722 OH2 TIP3 9158 88.666 64.936 48.658 1.00 0.00 WT2 O ATOM 35723 H1 TIP3 9158 89.196 65.576 49.133 1.00 0.00 WT2 H ATOM 35724 H2 TIP3 9158 89.252 64.592 47.984 1.00 0.00 WT2 H ATOM 35725 OH2 TIP3 9159 77.268 92.749 -4.399 1.00 0.00 WT2 O ATOM 35726 H1 TIP3 9159 77.487 93.359 -3.694 1.00 0.00 WT2 H ATOM 35727 H2 TIP3 9159 76.328 92.868 -4.536 1.00 0.00 WT2 H ATOM 35728 OH2 TIP3 9160 40.699 0.989 34.976 1.00 0.00 WT2 O ATOM 35729 H1 TIP3 9160 41.261 0.899 34.207 1.00 0.00 WT2 H ATOM 35730 H2 TIP3 9160 40.863 0.196 35.487 1.00 0.00 WT2 H ATOM 35731 OH2 TIP3 9161 63.603 88.274 61.461 1.00 0.00 WT2 O ATOM 35732 H1 TIP3 9161 63.535 88.206 60.509 1.00 0.00 WT2 H ATOM 35733 H2 TIP3 9161 63.111 87.522 61.791 1.00 0.00 WT2 H ATOM 35734 OH2 TIP3 9162 88.284 38.210 37.996 1.00 0.00 WT2 O ATOM 35735 H1 TIP3 9162 88.034 38.622 38.823 1.00 0.00 WT2 H ATOM 35736 H2 TIP3 9162 88.463 38.943 37.407 1.00 0.00 WT2 H ATOM 35737 OH2 TIP3 9163 36.065 34.113 51.610 1.00 0.00 WT2 O ATOM 35738 H1 TIP3 9163 36.985 34.373 51.571 1.00 0.00 WT2 H ATOM 35739 H2 TIP3 9163 36.082 33.223 51.962 1.00 0.00 WT2 H ATOM 35740 OH2 TIP3 9167 59.147 91.976 30.514 1.00 0.00 WT2 O ATOM 35741 H1 TIP3 9167 58.583 91.442 31.073 1.00 0.00 WT2 H ATOM 35742 H2 TIP3 9167 58.541 92.539 30.031 1.00 0.00 WT2 H ATOM 35743 OH2 TIP3 9170 23.404 29.413 60.463 1.00 0.00 WT2 O ATOM 35744 H1 TIP3 9170 23.662 28.946 61.257 1.00 0.00 WT2 H ATOM 35745 H2 TIP3 9170 23.503 30.339 60.686 1.00 0.00 WT2 H ATOM 35746 OH2 TIP3 9177 21.182 65.597 58.681 1.00 0.00 WT2 O ATOM 35747 H1 TIP3 9177 21.020 65.421 57.755 1.00 0.00 WT2 H ATOM 35748 H2 TIP3 9177 22.059 65.979 58.703 1.00 0.00 WT2 H ATOM 35749 OH2 TIP3 9180 84.510 39.944 54.024 1.00 0.00 WT2 O ATOM 35750 H1 TIP3 9180 84.536 40.900 54.040 1.00 0.00 WT2 H ATOM 35751 H2 TIP3 9180 84.823 39.710 53.150 1.00 0.00 WT2 H ATOM 35752 OH2 TIP3 9181 46.501 12.390 33.987 1.00 0.00 WT2 O ATOM 35753 H1 TIP3 9181 46.000 11.577 33.920 1.00 0.00 WT2 H ATOM 35754 H2 TIP3 9181 46.745 12.596 33.085 1.00 0.00 WT2 H ATOM 35755 OH2 TIP3 9183 26.965 75.174 43.363 1.00 0.00 WT2 O ATOM 35756 H1 TIP3 9183 26.124 75.471 43.015 1.00 0.00 WT2 H ATOM 35757 H2 TIP3 9183 27.435 74.837 42.599 1.00 0.00 WT2 H ATOM 35758 OH2 TIP3 9184 24.089 78.045 24.266 1.00 0.00 WT2 O ATOM 35759 H1 TIP3 9184 23.926 78.974 24.102 1.00 0.00 WT2 H ATOM 35760 H2 TIP3 9184 23.848 77.611 23.448 1.00 0.00 WT2 H ATOM 35761 OH2 TIP3 9185 31.554 28.928 16.909 1.00 0.00 WT2 O ATOM 35762 H1 TIP3 9185 32.482 28.940 16.672 1.00 0.00 WT2 H ATOM 35763 H2 TIP3 9185 31.095 29.113 16.089 1.00 0.00 WT2 H ATOM 35764 OH2 TIP3 9186 58.134 92.940 -14.998 1.00 0.00 WT2 O ATOM 35765 H1 TIP3 9186 58.209 92.027 -14.719 1.00 0.00 WT2 H ATOM 35766 H2 TIP3 9186 58.950 93.116 -15.466 1.00 0.00 WT2 H ATOM 35767 OH2 TIP3 9198 62.574 39.583 48.206 1.00 0.00 WT2 O ATOM 35768 H1 TIP3 9198 63.048 38.997 48.797 1.00 0.00 WT2 H ATOM 35769 H2 TIP3 9198 61.659 39.508 48.477 1.00 0.00 WT2 H ATOM 35770 OH2 TIP3 9200 21.267 58.182 -15.442 1.00 0.00 WT2 O ATOM 35771 H1 TIP3 9200 20.512 58.316 -14.868 1.00 0.00 WT2 H ATOM 35772 H2 TIP3 9200 21.962 58.711 -15.051 1.00 0.00 WT2 H ATOM 35773 OH2 TIP3 9201 87.887 88.246 48.841 1.00 0.00 WT2 O ATOM 35774 H1 TIP3 9201 88.163 87.582 48.210 1.00 0.00 WT2 H ATOM 35775 H2 TIP3 9201 87.051 87.924 49.178 1.00 0.00 WT2 H ATOM 35776 OH2 TIP3 9202 57.724 84.509 29.075 1.00 0.00 WT2 O ATOM 35777 H1 TIP3 9202 57.591 84.807 28.175 1.00 0.00 WT2 H ATOM 35778 H2 TIP3 9202 57.821 85.315 29.583 1.00 0.00 WT2 H ATOM 35779 OH2 TIP3 9203 76.472 62.574 -16.651 1.00 0.00 WT2 O ATOM 35780 H1 TIP3 9203 75.909 62.326 -15.917 1.00 0.00 WT2 H ATOM 35781 H2 TIP3 9203 76.543 63.526 -16.586 1.00 0.00 WT2 H ATOM 35782 OH2 TIP3 9204 64.482 29.442 37.892 1.00 0.00 WT2 O ATOM 35783 H1 TIP3 9204 64.071 30.260 38.172 1.00 0.00 WT2 H ATOM 35784 H2 TIP3 9204 63.750 28.838 37.763 1.00 0.00 WT2 H ATOM 35785 OH2 TIP3 9205 84.907 49.666 6.496 1.00 0.00 WT2 O ATOM 35786 H1 TIP3 9205 83.992 49.869 6.300 1.00 0.00 WT2 H ATOM 35787 H2 TIP3 9205 85.278 50.495 6.797 1.00 0.00 WT2 H ATOM 35788 OH2 TIP3 9219 80.966 6.230 -6.563 1.00 0.00 WT2 O ATOM 35789 H1 TIP3 9219 80.832 7.011 -7.100 1.00 0.00 WT2 H ATOM 35790 H2 TIP3 9219 80.215 6.215 -5.970 1.00 0.00 WT2 H ATOM 35791 OH2 TIP3 9222 41.590 44.097 3.823 1.00 0.00 WT2 O ATOM 35792 H1 TIP3 9222 40.791 43.605 3.638 1.00 0.00 WT2 H ATOM 35793 H2 TIP3 9222 41.319 45.015 3.795 1.00 0.00 WT2 H ATOM 35794 OH2 TIP3 9223 66.549 95.398 46.465 1.00 0.00 WT2 O ATOM 35795 H1 TIP3 9223 65.648 95.357 46.783 1.00 0.00 WT2 H ATOM 35796 H2 TIP3 9223 66.474 95.732 45.571 1.00 0.00 WT2 H ATOM 35797 OH2 TIP3 9225 86.174 24.597 47.339 1.00 0.00 WT2 O ATOM 35798 H1 TIP3 9225 85.612 23.892 47.661 1.00 0.00 WT2 H ATOM 35799 H2 TIP3 9225 86.287 25.177 48.092 1.00 0.00 WT2 H ATOM 35800 OH2 TIP3 9226 88.869 54.197 65.905 1.00 0.00 WT2 O ATOM 35801 H1 TIP3 9226 88.976 54.959 66.475 1.00 0.00 WT2 H ATOM 35802 H2 TIP3 9226 89.018 53.445 66.478 1.00 0.00 WT2 H ATOM 35803 OH2 TIP3 9227 29.080 61.513 -16.583 1.00 0.00 WT2 O ATOM 35804 H1 TIP3 9227 29.226 61.697 -15.655 1.00 0.00 WT2 H ATOM 35805 H2 TIP3 9227 29.501 60.666 -16.729 1.00 0.00 WT2 H ATOM 35806 OH2 TIP3 9228 85.571 34.074 51.421 1.00 0.00 WT2 O ATOM 35807 H1 TIP3 9228 85.767 34.690 50.715 1.00 0.00 WT2 H ATOM 35808 H2 TIP3 9228 86.236 33.391 51.336 1.00 0.00 WT2 H ATOM 35809 OH2 TIP3 9241 58.584 5.085 2.323 1.00 0.00 WT2 O ATOM 35810 H1 TIP3 9241 58.820 5.693 1.622 1.00 0.00 WT2 H ATOM 35811 H2 TIP3 9241 59.361 4.537 2.436 1.00 0.00 WT2 H ATOM 35812 OH2 TIP3 9242 26.051 34.430 16.178 1.00 0.00 WT2 O ATOM 35813 H1 TIP3 9242 25.273 34.741 15.715 1.00 0.00 WT2 H ATOM 35814 H2 TIP3 9242 26.779 34.647 15.596 1.00 0.00 WT2 H ATOM 35815 OH2 TIP3 9243 33.995 14.140 57.154 1.00 0.00 WT2 O ATOM 35816 H1 TIP3 9243 34.305 13.324 56.761 1.00 0.00 WT2 H ATOM 35817 H2 TIP3 9243 34.550 14.818 56.769 1.00 0.00 WT2 H ATOM 35818 OH2 TIP3 9244 88.451 55.980 47.747 1.00 0.00 WT2 O ATOM 35819 H1 TIP3 9244 88.987 56.076 46.959 1.00 0.00 WT2 H ATOM 35820 H2 TIP3 9244 88.470 55.042 47.937 1.00 0.00 WT2 H ATOM 35821 OH2 TIP3 9245 55.915 94.436 -18.118 1.00 0.00 WT2 O ATOM 35822 H1 TIP3 9245 55.936 94.405 -19.075 1.00 0.00 WT2 H ATOM 35823 H2 TIP3 9245 55.439 93.646 -17.863 1.00 0.00 WT2 H ATOM 35824 OH2 TIP3 9246 83.944 9.325 54.508 1.00 0.00 WT2 O ATOM 35825 H1 TIP3 9246 83.400 8.870 55.150 1.00 0.00 WT2 H ATOM 35826 H2 TIP3 9246 83.614 10.223 54.507 1.00 0.00 WT2 H ATOM 35827 OH2 TIP3 9247 33.556 12.104 53.733 1.00 0.00 WT2 O ATOM 35828 H1 TIP3 9247 34.497 12.231 53.851 1.00 0.00 WT2 H ATOM 35829 H2 TIP3 9247 33.454 11.915 52.800 1.00 0.00 WT2 H ATOM 35830 OH2 TIP3 9250 84.612 38.479 0.252 1.00 0.00 WT2 O ATOM 35831 H1 TIP3 9250 84.019 37.755 0.049 1.00 0.00 WT2 H ATOM 35832 H2 TIP3 9250 85.488 38.112 0.135 1.00 0.00 WT2 H ATOM 35833 OH2 TIP3 9259 38.215 80.287 45.940 1.00 0.00 WT2 O ATOM 35834 H1 TIP3 9259 38.902 80.348 45.276 1.00 0.00 WT2 H ATOM 35835 H2 TIP3 9259 37.459 79.934 45.472 1.00 0.00 WT2 H ATOM 35836 OH2 TIP3 9261 59.245 2.443 4.690 1.00 0.00 WT2 O ATOM 35837 H1 TIP3 9261 58.310 2.240 4.714 1.00 0.00 WT2 H ATOM 35838 H2 TIP3 9261 59.314 3.305 5.100 1.00 0.00 WT2 H ATOM 35839 OH2 TIP3 4 60.771 10.324 -3.643 1.00 0.00 WT3 O ATOM 35840 H1 TIP3 4 60.776 11.249 -3.397 1.00 0.00 WT3 H ATOM 35841 H2 TIP3 4 60.413 10.314 -4.531 1.00 0.00 WT3 H ATOM 35842 OH2 TIP3 5 71.436 83.923 45.546 1.00 0.00 WT3 O ATOM 35843 H1 TIP3 5 71.479 84.878 45.582 1.00 0.00 WT3 H ATOM 35844 H2 TIP3 5 70.660 83.738 45.016 1.00 0.00 WT3 H ATOM 35845 OH2 TIP3 6 75.790 39.680 6.352 1.00 0.00 WT3 O ATOM 35846 H1 TIP3 6 75.477 40.392 6.911 1.00 0.00 WT3 H ATOM 35847 H2 TIP3 6 75.254 38.927 6.600 1.00 0.00 WT3 H ATOM 35848 OH2 TIP3 7 60.483 80.127 53.661 1.00 0.00 WT3 O ATOM 35849 H1 TIP3 7 60.933 80.781 54.196 1.00 0.00 WT3 H ATOM 35850 H2 TIP3 7 59.563 80.391 53.683 1.00 0.00 WT3 H ATOM 35851 OH2 TIP3 8 41.380 62.621 45.014 1.00 0.00 WT3 O ATOM 35852 H1 TIP3 8 42.249 62.345 44.724 1.00 0.00 WT3 H ATOM 35853 H2 TIP3 8 41.303 63.527 44.716 1.00 0.00 WT3 H ATOM 35854 OH2 TIP3 10 50.052 1.283 13.881 1.00 0.00 WT3 O ATOM 35855 H1 TIP3 10 50.005 2.154 14.274 1.00 0.00 WT3 H ATOM 35856 H2 TIP3 10 50.626 0.787 14.464 1.00 0.00 WT3 H ATOM 35857 OH2 TIP3 11 75.948 53.491 15.391 1.00 0.00 WT3 O ATOM 35858 H1 TIP3 11 76.622 53.970 15.874 1.00 0.00 WT3 H ATOM 35859 H2 TIP3 11 76.357 52.651 15.179 1.00 0.00 WT3 H ATOM 35860 OH2 TIP3 12 42.548 3.922 6.144 1.00 0.00 WT3 O ATOM 35861 H1 TIP3 12 43.108 4.682 6.304 1.00 0.00 WT3 H ATOM 35862 H2 TIP3 12 42.436 3.521 7.006 1.00 0.00 WT3 H ATOM 35863 OH2 TIP3 13 47.418 49.892 -15.322 1.00 0.00 WT3 O ATOM 35864 H1 TIP3 13 47.638 50.366 -14.520 1.00 0.00 WT3 H ATOM 35865 H2 TIP3 13 47.306 48.984 -15.040 1.00 0.00 WT3 H ATOM 35866 OH2 TIP3 15 72.341 62.005 32.116 1.00 0.00 WT3 O ATOM 35867 H1 TIP3 15 73.001 61.807 32.780 1.00 0.00 WT3 H ATOM 35868 H2 TIP3 15 72.165 61.163 31.695 1.00 0.00 WT3 H ATOM 35869 OH2 TIP3 16 24.205 75.083 55.393 1.00 0.00 WT3 O ATOM 35870 H1 TIP3 16 24.243 74.652 56.247 1.00 0.00 WT3 H ATOM 35871 H2 TIP3 16 25.095 75.009 55.048 1.00 0.00 WT3 H ATOM 35872 OH2 TIP3 17 23.850 49.550 57.727 1.00 0.00 WT3 O ATOM 35873 H1 TIP3 17 23.260 49.265 57.029 1.00 0.00 WT3 H ATOM 35874 H2 TIP3 17 23.395 50.283 58.142 1.00 0.00 WT3 H ATOM 35875 OH2 TIP3 18 37.754 72.519 55.296 1.00 0.00 WT3 O ATOM 35876 H1 TIP3 18 38.262 72.973 54.624 1.00 0.00 WT3 H ATOM 35877 H2 TIP3 18 37.198 73.199 55.676 1.00 0.00 WT3 H ATOM 35878 OH2 TIP3 19 74.998 64.669 64.723 1.00 0.00 WT3 O ATOM 35879 H1 TIP3 19 74.686 64.341 63.880 1.00 0.00 WT3 H ATOM 35880 H2 TIP3 19 74.283 65.217 65.047 1.00 0.00 WT3 H ATOM 35881 OH2 TIP3 20 57.795 27.128 38.822 1.00 0.00 WT3 O ATOM 35882 H1 TIP3 20 58.620 27.390 38.414 1.00 0.00 WT3 H ATOM 35883 H2 TIP3 20 57.273 27.930 38.845 1.00 0.00 WT3 H ATOM 35884 OH2 TIP3 21 26.008 81.948 12.566 1.00 0.00 WT3 O ATOM 35885 H1 TIP3 21 25.238 81.540 12.963 1.00 0.00 WT3 H ATOM 35886 H2 TIP3 21 26.215 82.681 13.145 1.00 0.00 WT3 H ATOM 35887 OH2 TIP3 22 77.240 75.367 42.178 1.00 0.00 WT3 O ATOM 35888 H1 TIP3 22 76.755 74.976 42.905 1.00 0.00 WT3 H ATOM 35889 H2 TIP3 22 77.372 74.647 41.562 1.00 0.00 WT3 H ATOM 35890 OH2 TIP3 23 68.387 68.143 44.317 1.00 0.00 WT3 O ATOM 35891 H1 TIP3 23 67.903 67.732 45.033 1.00 0.00 WT3 H ATOM 35892 H2 TIP3 23 69.185 68.477 44.727 1.00 0.00 WT3 H ATOM 35893 OH2 TIP3 24 35.158 69.738 39.509 1.00 0.00 WT3 O ATOM 35894 H1 TIP3 24 35.792 70.455 39.474 1.00 0.00 WT3 H ATOM 35895 H2 TIP3 24 35.127 69.401 38.613 1.00 0.00 WT3 H ATOM 35896 OH2 TIP3 25 64.537 2.320 -13.940 1.00 0.00 WT3 O ATOM 35897 H1 TIP3 25 65.396 2.612 -14.247 1.00 0.00 WT3 H ATOM 35898 H2 TIP3 25 64.683 1.425 -13.634 1.00 0.00 WT3 H ATOM 35899 OH2 TIP3 26 75.874 92.676 8.312 1.00 0.00 WT3 O ATOM 35900 H1 TIP3 26 75.495 93.359 8.864 1.00 0.00 WT3 H ATOM 35901 H2 TIP3 26 76.751 92.997 8.100 1.00 0.00 WT3 H ATOM 35902 OH2 TIP3 27 80.961 71.369 34.538 1.00 0.00 WT3 O ATOM 35903 H1 TIP3 27 80.677 72.274 34.668 1.00 0.00 WT3 H ATOM 35904 H2 TIP3 27 80.562 71.110 33.708 1.00 0.00 WT3 H ATOM 35905 OH2 TIP3 29 29.375 35.692 53.746 1.00 0.00 WT3 O ATOM 35906 H1 TIP3 29 29.916 35.832 54.523 1.00 0.00 WT3 H ATOM 35907 H2 TIP3 29 30.002 35.605 53.029 1.00 0.00 WT3 H ATOM 35908 OH2 TIP3 30 27.186 72.189 31.128 1.00 0.00 WT3 O ATOM 35909 H1 TIP3 30 27.649 71.437 31.497 1.00 0.00 WT3 H ATOM 35910 H2 TIP3 30 26.906 72.696 31.890 1.00 0.00 WT3 H ATOM 35911 OH2 TIP3 31 73.101 76.744 23.964 1.00 0.00 WT3 O ATOM 35912 H1 TIP3 31 72.493 76.541 23.253 1.00 0.00 WT3 H ATOM 35913 H2 TIP3 31 73.895 76.255 23.747 1.00 0.00 WT3 H ATOM 35914 OH2 TIP3 32 77.663 77.768 -10.016 1.00 0.00 WT3 O ATOM 35915 H1 TIP3 32 76.796 77.427 -10.234 1.00 0.00 WT3 H ATOM 35916 H2 TIP3 32 78.273 77.156 -10.429 1.00 0.00 WT3 H ATOM 35917 OH2 TIP3 33 89.459 94.403 50.746 1.00 0.00 WT3 O ATOM 35918 H1 TIP3 33 89.121 95.298 50.713 1.00 0.00 WT3 H ATOM 35919 H2 TIP3 33 90.401 94.497 50.607 1.00 0.00 WT3 H ATOM 35920 OH2 TIP3 34 54.038 33.179 66.968 1.00 0.00 WT3 O ATOM 35921 H1 TIP3 34 54.302 32.501 66.346 1.00 0.00 WT3 H ATOM 35922 H2 TIP3 34 54.774 33.790 66.983 1.00 0.00 WT3 H ATOM 35923 OH2 TIP3 35 40.250 9.808 -4.599 1.00 0.00 WT3 O ATOM 35924 H1 TIP3 35 40.384 10.329 -5.391 1.00 0.00 WT3 H ATOM 35925 H2 TIP3 35 39.340 9.516 -4.655 1.00 0.00 WT3 H ATOM 35926 OH2 TIP3 37 70.222 87.631 45.025 1.00 0.00 WT3 O ATOM 35927 H1 TIP3 37 70.195 87.600 45.982 1.00 0.00 WT3 H ATOM 35928 H2 TIP3 37 70.050 88.547 44.810 1.00 0.00 WT3 H ATOM 35929 OH2 TIP3 39 34.342 93.313 33.221 1.00 0.00 WT3 O ATOM 35930 H1 TIP3 39 33.664 93.972 33.370 1.00 0.00 WT3 H ATOM 35931 H2 TIP3 39 34.371 92.811 34.035 1.00 0.00 WT3 H ATOM 35932 OH2 TIP3 41 53.205 55.614 -19.378 1.00 0.00 WT3 O ATOM 35933 H1 TIP3 41 52.908 54.728 -19.171 1.00 0.00 WT3 H ATOM 35934 H2 TIP3 41 53.402 56.006 -18.527 1.00 0.00 WT3 H ATOM 35935 OH2 TIP3 42 62.304 92.579 45.556 1.00 0.00 WT3 O ATOM 35936 H1 TIP3 42 61.966 93.458 45.728 1.00 0.00 WT3 H ATOM 35937 H2 TIP3 42 62.734 92.323 46.371 1.00 0.00 WT3 H ATOM 35938 OH2 TIP3 43 79.456 96.013 65.370 1.00 0.00 WT3 O ATOM 35939 H1 TIP3 43 80.096 96.647 65.045 1.00 0.00 WT3 H ATOM 35940 H2 TIP3 43 78.608 96.376 65.116 1.00 0.00 WT3 H ATOM 35941 OH2 TIP3 44 89.461 13.041 58.108 1.00 0.00 WT3 O ATOM 35942 H1 TIP3 44 90.023 13.584 57.555 1.00 0.00 WT3 H ATOM 35943 H2 TIP3 44 89.493 13.461 58.967 1.00 0.00 WT3 H ATOM 35944 OH2 TIP3 45 68.505 75.612 33.902 1.00 0.00 WT3 O ATOM 35945 H1 TIP3 45 67.986 76.061 34.570 1.00 0.00 WT3 H ATOM 35946 H2 TIP3 45 68.227 74.698 33.957 1.00 0.00 WT3 H ATOM 35947 OH2 TIP3 46 30.363 1.752 45.534 1.00 0.00 WT3 O ATOM 35948 H1 TIP3 46 29.569 1.454 45.091 1.00 0.00 WT3 H ATOM 35949 H2 TIP3 46 30.965 1.975 44.824 1.00 0.00 WT3 H ATOM 35950 OH2 TIP3 47 89.118 3.893 13.675 1.00 0.00 WT3 O ATOM 35951 H1 TIP3 47 89.991 3.725 14.029 1.00 0.00 WT3 H ATOM 35952 H2 TIP3 47 88.520 3.624 14.374 1.00 0.00 WT3 H ATOM 35953 OH2 TIP3 48 81.829 46.605 6.850 1.00 0.00 WT3 O ATOM 35954 H1 TIP3 48 80.974 46.199 6.994 1.00 0.00 WT3 H ATOM 35955 H2 TIP3 48 82.401 45.877 6.607 1.00 0.00 WT3 H ATOM 35956 OH2 TIP3 50 85.815 69.378 31.093 1.00 0.00 WT3 O ATOM 35957 H1 TIP3 50 84.949 69.731 31.297 1.00 0.00 WT3 H ATOM 35958 H2 TIP3 50 86.015 68.796 31.827 1.00 0.00 WT3 H ATOM 35959 OH2 TIP3 52 48.419 34.799 3.204 1.00 0.00 WT3 O ATOM 35960 H1 TIP3 52 48.304 34.079 3.824 1.00 0.00 WT3 H ATOM 35961 H2 TIP3 52 49.292 35.142 3.393 1.00 0.00 WT3 H ATOM 35962 OH2 TIP3 53 76.748 51.310 52.704 1.00 0.00 WT3 O ATOM 35963 H1 TIP3 53 76.821 51.723 51.843 1.00 0.00 WT3 H ATOM 35964 H2 TIP3 53 75.978 51.718 53.100 1.00 0.00 WT3 H ATOM 35965 OH2 TIP3 55 34.629 66.178 45.635 1.00 0.00 WT3 O ATOM 35966 H1 TIP3 55 35.429 65.779 45.978 1.00 0.00 WT3 H ATOM 35967 H2 TIP3 55 34.851 66.429 44.739 1.00 0.00 WT3 H ATOM 35968 OH2 TIP3 56 79.005 48.031 11.563 1.00 0.00 WT3 O ATOM 35969 H1 TIP3 56 79.764 48.308 11.050 1.00 0.00 WT3 H ATOM 35970 H2 TIP3 56 79.154 48.404 12.432 1.00 0.00 WT3 H ATOM 35971 OH2 TIP3 58 23.425 88.062 26.492 1.00 0.00 WT3 O ATOM 35972 H1 TIP3 58 24.151 88.053 25.868 1.00 0.00 WT3 H ATOM 35973 H2 TIP3 58 23.531 87.255 26.995 1.00 0.00 WT3 H ATOM 35974 OH2 TIP3 59 38.224 0.114 -6.527 1.00 0.00 WT3 O ATOM 35975 H1 TIP3 59 38.925 0.497 -5.999 1.00 0.00 WT3 H ATOM 35976 H2 TIP3 59 37.559 -0.147 -5.890 1.00 0.00 WT3 H ATOM 35977 OH2 TIP3 60 44.653 6.008 -17.953 1.00 0.00 WT3 O ATOM 35978 H1 TIP3 60 43.946 6.641 -17.827 1.00 0.00 WT3 H ATOM 35979 H2 TIP3 60 44.418 5.544 -18.756 1.00 0.00 WT3 H ATOM 35980 OH2 TIP3 61 70.000 93.218 65.449 1.00 0.00 WT3 O ATOM 35981 H1 TIP3 61 70.876 93.600 65.503 1.00 0.00 WT3 H ATOM 35982 H2 TIP3 61 70.014 92.494 66.074 1.00 0.00 WT3 H ATOM 35983 OH2 TIP3 62 69.955 67.934 -15.149 1.00 0.00 WT3 O ATOM 35984 H1 TIP3 62 70.321 67.055 -15.050 1.00 0.00 WT3 H ATOM 35985 H2 TIP3 62 69.075 67.871 -14.777 1.00 0.00 WT3 H ATOM 35986 OH2 TIP3 63 26.925 76.495 22.404 1.00 0.00 WT3 O ATOM 35987 H1 TIP3 63 27.509 76.875 21.748 1.00 0.00 WT3 H ATOM 35988 H2 TIP3 63 26.983 75.551 22.260 1.00 0.00 WT3 H ATOM 35989 OH2 TIP3 64 79.876 61.693 -0.868 1.00 0.00 WT3 O ATOM 35990 H1 TIP3 64 79.161 62.061 -0.349 1.00 0.00 WT3 H ATOM 35991 H2 TIP3 64 79.464 61.430 -1.691 1.00 0.00 WT3 H ATOM 35992 OH2 TIP3 66 39.558 1.993 -5.279 1.00 0.00 WT3 O ATOM 35993 H1 TIP3 66 40.230 2.291 -4.666 1.00 0.00 WT3 H ATOM 35994 H2 TIP3 66 38.814 1.759 -4.723 1.00 0.00 WT3 H ATOM 35995 OH2 TIP3 67 74.914 53.753 3.141 1.00 0.00 WT3 O ATOM 35996 H1 TIP3 67 75.052 54.013 2.230 1.00 0.00 WT3 H ATOM 35997 H2 TIP3 67 73.964 53.786 3.259 1.00 0.00 WT3 H ATOM 35998 OH2 TIP3 68 65.174 58.651 3.965 1.00 0.00 WT3 O ATOM 35999 H1 TIP3 68 65.292 59.304 4.656 1.00 0.00 WT3 H ATOM 36000 H2 TIP3 68 65.814 57.969 4.169 1.00 0.00 WT3 H ATOM 36001 OH2 TIP3 69 26.414 64.003 46.441 1.00 0.00 WT3 O ATOM 36002 H1 TIP3 69 26.940 63.206 46.505 1.00 0.00 WT3 H ATOM 36003 H2 TIP3 69 26.464 64.394 47.313 1.00 0.00 WT3 H ATOM 36004 OH2 TIP3 70 32.516 80.691 64.114 1.00 0.00 WT3 O ATOM 36005 H1 TIP3 70 32.650 79.769 64.337 1.00 0.00 WT3 H ATOM 36006 H2 TIP3 70 32.645 80.730 63.167 1.00 0.00 WT3 H ATOM 36007 OH2 TIP3 71 33.085 76.726 38.027 1.00 0.00 WT3 O ATOM 36008 H1 TIP3 71 32.440 76.454 38.680 1.00 0.00 WT3 H ATOM 36009 H2 TIP3 71 32.609 76.701 37.196 1.00 0.00 WT3 H ATOM 36010 OH2 TIP3 72 26.592 58.653 48.497 1.00 0.00 WT3 O ATOM 36011 H1 TIP3 72 27.444 59.043 48.689 1.00 0.00 WT3 H ATOM 36012 H2 TIP3 72 26.089 58.765 49.303 1.00 0.00 WT3 H ATOM 36013 OH2 TIP3 74 83.170 72.926 -10.255 1.00 0.00 WT3 O ATOM 36014 H1 TIP3 74 83.056 73.764 -10.703 1.00 0.00 WT3 H ATOM 36015 H2 TIP3 74 84.002 72.588 -10.587 1.00 0.00 WT3 H ATOM 36016 OH2 TIP3 75 20.836 76.718 50.225 1.00 0.00 WT3 O ATOM 36017 H1 TIP3 75 19.995 76.961 50.613 1.00 0.00 WT3 H ATOM 36018 H2 TIP3 75 20.755 75.781 50.046 1.00 0.00 WT3 H ATOM 36019 OH2 TIP3 76 88.094 68.193 -0.356 1.00 0.00 WT3 O ATOM 36020 H1 TIP3 76 87.145 68.148 -0.242 1.00 0.00 WT3 H ATOM 36021 H2 TIP3 76 88.327 67.360 -0.766 1.00 0.00 WT3 H ATOM 36022 OH2 TIP3 78 33.051 67.573 47.305 1.00 0.00 WT3 O ATOM 36023 H1 TIP3 78 33.727 67.182 46.752 1.00 0.00 WT3 H ATOM 36024 H2 TIP3 78 33.102 68.510 47.121 1.00 0.00 WT3 H ATOM 36025 OH2 TIP3 79 43.759 87.811 58.554 1.00 0.00 WT3 O ATOM 36026 H1 TIP3 79 43.597 88.262 59.382 1.00 0.00 WT3 H ATOM 36027 H2 TIP3 79 43.711 86.880 58.773 1.00 0.00 WT3 H ATOM 36028 OH2 TIP3 80 82.499 58.507 6.639 1.00 0.00 WT3 O ATOM 36029 H1 TIP3 80 82.596 58.103 7.501 1.00 0.00 WT3 H ATOM 36030 H2 TIP3 80 81.594 58.321 6.388 1.00 0.00 WT3 H ATOM 36031 OH2 TIP3 81 50.321 4.962 50.041 1.00 0.00 WT3 O ATOM 36032 H1 TIP3 81 50.637 4.733 49.167 1.00 0.00 WT3 H ATOM 36033 H2 TIP3 81 49.571 5.536 49.882 1.00 0.00 WT3 H ATOM 36034 OH2 TIP3 82 53.942 30.142 30.542 1.00 0.00 WT3 O ATOM 36035 H1 TIP3 82 54.512 29.670 31.149 1.00 0.00 WT3 H ATOM 36036 H2 TIP3 82 53.151 30.327 31.049 1.00 0.00 WT3 H ATOM 36037 OH2 TIP3 83 78.171 24.201 3.864 1.00 0.00 WT3 O ATOM 36038 H1 TIP3 83 77.564 24.528 3.200 1.00 0.00 WT3 H ATOM 36039 H2 TIP3 83 78.718 24.955 4.082 1.00 0.00 WT3 H ATOM 36040 OH2 TIP3 84 41.981 97.007 14.818 1.00 0.00 WT3 O ATOM 36041 H1 TIP3 84 41.874 96.390 15.542 1.00 0.00 WT3 H ATOM 36042 H2 TIP3 84 42.096 96.453 14.046 1.00 0.00 WT3 H ATOM 36043 OH2 TIP3 86 77.074 4.623 67.249 1.00 0.00 WT3 O ATOM 36044 H1 TIP3 86 76.214 4.962 67.500 1.00 0.00 WT3 H ATOM 36045 H2 TIP3 86 77.262 5.044 66.410 1.00 0.00 WT3 H ATOM 36046 OH2 TIP3 87 72.629 65.372 52.161 1.00 0.00 WT3 O ATOM 36047 H1 TIP3 87 71.970 65.403 51.468 1.00 0.00 WT3 H ATOM 36048 H2 TIP3 87 73.361 65.886 51.819 1.00 0.00 WT3 H ATOM 36049 OH2 TIP3 88 40.880 66.812 -3.918 1.00 0.00 WT3 O ATOM 36050 H1 TIP3 88 40.051 66.388 -3.699 1.00 0.00 WT3 H ATOM 36051 H2 TIP3 88 41.448 66.630 -3.169 1.00 0.00 WT3 H ATOM 36052 OH2 TIP3 90 70.683 92.837 60.626 1.00 0.00 WT3 O ATOM 36053 H1 TIP3 90 70.269 92.249 61.258 1.00 0.00 WT3 H ATOM 36054 H2 TIP3 90 71.400 93.245 61.112 1.00 0.00 WT3 H ATOM 36055 OH2 TIP3 91 61.940 86.998 -4.847 1.00 0.00 WT3 O ATOM 36056 H1 TIP3 91 62.069 87.667 -4.175 1.00 0.00 WT3 H ATOM 36057 H2 TIP3 91 62.817 86.650 -5.011 1.00 0.00 WT3 H ATOM 36058 OH2 TIP3 92 49.284 34.416 11.763 1.00 0.00 WT3 O ATOM 36059 H1 TIP3 92 49.237 33.877 10.973 1.00 0.00 WT3 H ATOM 36060 H2 TIP3 92 48.875 33.881 12.443 1.00 0.00 WT3 H ATOM 36061 OH2 TIP3 93 64.005 12.791 -3.758 1.00 0.00 WT3 O ATOM 36062 H1 TIP3 93 64.283 13.680 -3.977 1.00 0.00 WT3 H ATOM 36063 H2 TIP3 93 64.815 12.281 -3.755 1.00 0.00 WT3 H ATOM 36064 OH2 TIP3 94 35.347 65.442 60.586 1.00 0.00 WT3 O ATOM 36065 H1 TIP3 94 36.053 64.849 60.843 1.00 0.00 WT3 H ATOM 36066 H2 TIP3 94 35.451 65.543 59.639 1.00 0.00 WT3 H ATOM 36067 OH2 TIP3 95 32.342 17.365 -14.150 1.00 0.00 WT3 O ATOM 36068 H1 TIP3 95 32.537 18.055 -13.516 1.00 0.00 WT3 H ATOM 36069 H2 TIP3 95 31.470 17.055 -13.907 1.00 0.00 WT3 H ATOM 36070 OH2 TIP3 97 31.843 23.244 8.313 1.00 0.00 WT3 O ATOM 36071 H1 TIP3 97 32.118 23.432 9.210 1.00 0.00 WT3 H ATOM 36072 H2 TIP3 97 32.421 22.535 8.028 1.00 0.00 WT3 H ATOM 36073 OH2 TIP3 98 69.352 79.671 29.576 1.00 0.00 WT3 O ATOM 36074 H1 TIP3 98 70.118 79.099 29.536 1.00 0.00 WT3 H ATOM 36075 H2 TIP3 98 69.006 79.547 30.460 1.00 0.00 WT3 H ATOM 36076 OH2 TIP3 99 86.451 90.746 16.414 1.00 0.00 WT3 O ATOM 36077 H1 TIP3 99 86.387 90.812 15.461 1.00 0.00 WT3 H ATOM 36078 H2 TIP3 99 86.742 91.613 16.696 1.00 0.00 WT3 H ATOM 36079 OH2 TIP3 100 70.826 21.342 -16.125 1.00 0.00 WT3 O ATOM 36080 H1 TIP3 100 71.485 21.154 -16.794 1.00 0.00 WT3 H ATOM 36081 H2 TIP3 100 71.051 22.216 -15.805 1.00 0.00 WT3 H ATOM 36082 OH2 TIP3 101 73.273 75.840 -17.618 1.00 0.00 WT3 O ATOM 36083 H1 TIP3 101 73.677 75.425 -18.380 1.00 0.00 WT3 H ATOM 36084 H2 TIP3 101 72.913 76.661 -17.955 1.00 0.00 WT3 H ATOM 36085 OH2 TIP3 102 27.474 20.264 30.031 1.00 0.00 WT3 O ATOM 36086 H1 TIP3 102 27.402 21.218 30.034 1.00 0.00 WT3 H ATOM 36087 H2 TIP3 102 26.818 19.972 30.664 1.00 0.00 WT3 H ATOM 36088 OH2 TIP3 104 66.199 11.925 11.221 1.00 0.00 WT3 O ATOM 36089 H1 TIP3 104 65.749 11.763 12.050 1.00 0.00 WT3 H ATOM 36090 H2 TIP3 104 67.080 11.575 11.354 1.00 0.00 WT3 H ATOM 36091 OH2 TIP3 105 47.274 80.609 -14.628 1.00 0.00 WT3 O ATOM 36092 H1 TIP3 105 47.058 80.348 -13.732 1.00 0.00 WT3 H ATOM 36093 H2 TIP3 105 46.590 80.211 -15.166 1.00 0.00 WT3 H ATOM 36094 OH2 TIP3 106 75.141 86.530 25.901 1.00 0.00 WT3 O ATOM 36095 H1 TIP3 106 74.427 86.930 26.397 1.00 0.00 WT3 H ATOM 36096 H2 TIP3 106 74.949 85.592 25.919 1.00 0.00 WT3 H ATOM 36097 OH2 TIP3 107 82.122 52.337 56.921 1.00 0.00 WT3 O ATOM 36098 H1 TIP3 107 81.530 51.761 56.438 1.00 0.00 WT3 H ATOM 36099 H2 TIP3 107 81.543 52.906 57.428 1.00 0.00 WT3 H ATOM 36100 OH2 TIP3 108 35.594 37.589 60.550 1.00 0.00 WT3 O ATOM 36101 H1 TIP3 108 35.241 38.114 59.832 1.00 0.00 WT3 H ATOM 36102 H2 TIP3 108 35.856 36.765 60.139 1.00 0.00 WT3 H ATOM 36103 OH2 TIP3 109 29.350 57.509 27.282 1.00 0.00 WT3 O ATOM 36104 H1 TIP3 109 29.394 57.922 26.420 1.00 0.00 WT3 H ATOM 36105 H2 TIP3 109 29.159 56.589 27.098 1.00 0.00 WT3 H ATOM 36106 OH2 TIP3 110 84.788 83.780 -3.062 1.00 0.00 WT3 O ATOM 36107 H1 TIP3 110 85.351 83.872 -2.293 1.00 0.00 WT3 H ATOM 36108 H2 TIP3 110 85.308 83.267 -3.680 1.00 0.00 WT3 H ATOM 36109 OH2 TIP3 111 35.586 12.286 -2.394 1.00 0.00 WT3 O ATOM 36110 H1 TIP3 111 36.239 12.723 -1.848 1.00 0.00 WT3 H ATOM 36111 H2 TIP3 111 36.087 11.652 -2.907 1.00 0.00 WT3 H ATOM 36112 OH2 TIP3 112 47.555 53.920 65.175 1.00 0.00 WT3 O ATOM 36113 H1 TIP3 112 48.138 54.555 65.590 1.00 0.00 WT3 H ATOM 36114 H2 TIP3 112 48.141 53.245 64.831 1.00 0.00 WT3 H ATOM 36115 OH2 TIP3 113 40.999 38.424 29.496 1.00 0.00 WT3 O ATOM 36116 H1 TIP3 113 41.299 39.080 28.867 1.00 0.00 WT3 H ATOM 36117 H2 TIP3 113 41.134 37.587 29.052 1.00 0.00 WT3 H ATOM 36118 OH2 TIP3 114 89.098 89.313 62.405 1.00 0.00 WT3 O ATOM 36119 H1 TIP3 114 89.037 88.540 61.842 1.00 0.00 WT3 H ATOM 36120 H2 TIP3 114 89.312 88.963 63.270 1.00 0.00 WT3 H ATOM 36121 OH2 TIP3 115 69.767 70.374 13.850 1.00 0.00 WT3 O ATOM 36122 H1 TIP3 115 70.187 70.149 13.019 1.00 0.00 WT3 H ATOM 36123 H2 TIP3 115 69.059 70.970 13.607 1.00 0.00 WT3 H ATOM 36124 OH2 TIP3 118 71.005 55.416 36.864 1.00 0.00 WT3 O ATOM 36125 H1 TIP3 118 71.004 54.820 37.613 1.00 0.00 WT3 H ATOM 36126 H2 TIP3 118 70.312 55.084 36.293 1.00 0.00 WT3 H ATOM 36127 OH2 TIP3 119 61.301 68.693 -11.429 1.00 0.00 WT3 O ATOM 36128 H1 TIP3 119 61.602 67.863 -11.799 1.00 0.00 WT3 H ATOM 36129 H2 TIP3 119 61.719 68.738 -10.569 1.00 0.00 WT3 H ATOM 36130 OH2 TIP3 120 85.269 78.966 50.366 1.00 0.00 WT3 O ATOM 36131 H1 TIP3 120 86.147 78.586 50.354 1.00 0.00 WT3 H ATOM 36132 H2 TIP3 120 84.701 78.249 50.645 1.00 0.00 WT3 H ATOM 36133 OH2 TIP3 121 67.260 50.161 27.632 1.00 0.00 WT3 O ATOM 36134 H1 TIP3 121 67.143 51.106 27.528 1.00 0.00 WT3 H ATOM 36135 H2 TIP3 121 66.805 49.779 26.882 1.00 0.00 WT3 H ATOM 36136 OH2 TIP3 122 85.284 89.370 36.613 1.00 0.00 WT3 O ATOM 36137 H1 TIP3 122 84.388 89.120 36.388 1.00 0.00 WT3 H ATOM 36138 H2 TIP3 122 85.200 89.848 37.438 1.00 0.00 WT3 H ATOM 36139 OH2 TIP3 124 64.425 61.241 -9.859 1.00 0.00 WT3 O ATOM 36140 H1 TIP3 124 63.630 61.476 -9.380 1.00 0.00 WT3 H ATOM 36141 H2 TIP3 124 65.091 61.132 -9.180 1.00 0.00 WT3 H ATOM 36142 OH2 TIP3 125 71.065 63.379 3.941 1.00 0.00 WT3 O ATOM 36143 H1 TIP3 125 70.584 64.141 3.619 1.00 0.00 WT3 H ATOM 36144 H2 TIP3 125 71.766 63.746 4.479 1.00 0.00 WT3 H ATOM 36145 OH2 TIP3 126 85.047 82.642 58.357 1.00 0.00 WT3 O ATOM 36146 H1 TIP3 126 85.910 83.023 58.191 1.00 0.00 WT3 H ATOM 36147 H2 TIP3 126 84.429 83.329 58.107 1.00 0.00 WT3 H ATOM 36148 OH2 TIP3 127 37.987 68.227 51.535 1.00 0.00 WT3 O ATOM 36149 H1 TIP3 127 38.296 68.929 50.962 1.00 0.00 WT3 H ATOM 36150 H2 TIP3 127 37.110 68.022 51.212 1.00 0.00 WT3 H ATOM 36151 OH2 TIP3 128 47.308 4.873 -17.813 1.00 0.00 WT3 O ATOM 36152 H1 TIP3 128 46.449 4.615 -18.146 1.00 0.00 WT3 H ATOM 36153 H2 TIP3 128 47.265 5.827 -17.752 1.00 0.00 WT3 H ATOM 36154 OH2 TIP3 129 43.448 63.409 51.051 1.00 0.00 WT3 O ATOM 36155 H1 TIP3 129 42.778 64.028 51.341 1.00 0.00 WT3 H ATOM 36156 H2 TIP3 129 43.478 63.516 50.100 1.00 0.00 WT3 H ATOM 36157 OH2 TIP3 130 51.764 16.986 22.206 1.00 0.00 WT3 O ATOM 36158 H1 TIP3 130 51.731 17.808 22.697 1.00 0.00 WT3 H ATOM 36159 H2 TIP3 130 50.975 16.999 21.664 1.00 0.00 WT3 H ATOM 36160 OH2 TIP3 131 25.155 1.971 21.163 1.00 0.00 WT3 O ATOM 36161 H1 TIP3 131 24.209 2.081 21.070 1.00 0.00 WT3 H ATOM 36162 H2 TIP3 131 25.454 1.718 20.290 1.00 0.00 WT3 H ATOM 36163 OH2 TIP3 132 66.725 1.917 -11.697 1.00 0.00 WT3 O ATOM 36164 H1 TIP3 132 65.994 1.789 -11.093 1.00 0.00 WT3 H ATOM 36165 H2 TIP3 132 67.088 2.769 -11.457 1.00 0.00 WT3 H ATOM 36166 OH2 TIP3 133 33.332 57.676 62.070 1.00 0.00 WT3 O ATOM 36167 H1 TIP3 133 32.627 57.032 62.128 1.00 0.00 WT3 H ATOM 36168 H2 TIP3 133 33.569 57.690 61.143 1.00 0.00 WT3 H ATOM 36169 OH2 TIP3 134 21.195 91.005 -19.191 1.00 0.00 WT3 O ATOM 36170 H1 TIP3 134 21.539 91.806 -18.796 1.00 0.00 WT3 H ATOM 36171 H2 TIP3 134 20.287 91.217 -19.411 1.00 0.00 WT3 H ATOM 36172 OH2 TIP3 135 54.111 94.174 50.003 1.00 0.00 WT3 O ATOM 36173 H1 TIP3 135 54.069 94.891 49.371 1.00 0.00 WT3 H ATOM 36174 H2 TIP3 135 53.799 94.557 50.823 1.00 0.00 WT3 H ATOM 36175 OH2 TIP3 136 80.782 87.137 29.685 1.00 0.00 WT3 O ATOM 36176 H1 TIP3 136 80.336 87.379 28.874 1.00 0.00 WT3 H ATOM 36177 H2 TIP3 136 80.224 87.485 30.380 1.00 0.00 WT3 H ATOM 36178 OH2 TIP3 137 49.708 7.001 55.647 1.00 0.00 WT3 O ATOM 36179 H1 TIP3 137 50.461 7.559 55.845 1.00 0.00 WT3 H ATOM 36180 H2 TIP3 137 48.955 7.489 55.979 1.00 0.00 WT3 H ATOM 36181 OH2 TIP3 138 70.491 30.899 20.600 1.00 0.00 WT3 O ATOM 36182 H1 TIP3 138 70.278 30.367 21.366 1.00 0.00 WT3 H ATOM 36183 H2 TIP3 138 71.211 30.432 20.176 1.00 0.00 WT3 H ATOM 36184 OH2 TIP3 139 24.175 73.413 13.812 1.00 0.00 WT3 O ATOM 36185 H1 TIP3 139 23.282 73.583 13.512 1.00 0.00 WT3 H ATOM 36186 H2 TIP3 139 24.248 72.459 13.820 1.00 0.00 WT3 H ATOM 36187 OH2 TIP3 140 32.642 49.493 21.055 1.00 0.00 WT3 O ATOM 36188 H1 TIP3 140 33.040 49.598 20.191 1.00 0.00 WT3 H ATOM 36189 H2 TIP3 140 31.895 50.092 21.050 1.00 0.00 WT3 H ATOM 36190 OH2 TIP3 141 80.389 86.251 36.177 1.00 0.00 WT3 O ATOM 36191 H1 TIP3 141 79.444 86.374 36.082 1.00 0.00 WT3 H ATOM 36192 H2 TIP3 141 80.475 85.460 36.711 1.00 0.00 WT3 H ATOM 36193 OH2 TIP3 142 82.352 93.834 18.824 1.00 0.00 WT3 O ATOM 36194 H1 TIP3 142 81.520 93.774 19.294 1.00 0.00 WT3 H ATOM 36195 H2 TIP3 142 82.310 93.136 18.170 1.00 0.00 WT3 H ATOM 36196 OH2 TIP3 143 41.432 73.442 51.632 1.00 0.00 WT3 O ATOM 36197 H1 TIP3 143 40.756 72.965 52.113 1.00 0.00 WT3 H ATOM 36198 H2 TIP3 143 41.296 73.194 50.717 1.00 0.00 WT3 H ATOM 36199 OH2 TIP3 144 63.368 90.926 60.378 1.00 0.00 WT3 O ATOM 36200 H1 TIP3 144 63.432 89.995 60.591 1.00 0.00 WT3 H ATOM 36201 H2 TIP3 144 63.272 90.949 59.426 1.00 0.00 WT3 H ATOM 36202 OH2 TIP3 145 68.609 68.772 2.311 1.00 0.00 WT3 O ATOM 36203 H1 TIP3 145 67.842 69.342 2.257 1.00 0.00 WT3 H ATOM 36204 H2 TIP3 145 68.358 68.091 2.935 1.00 0.00 WT3 H ATOM 36205 OH2 TIP3 147 45.592 87.533 20.302 1.00 0.00 WT3 O ATOM 36206 H1 TIP3 147 46.330 87.663 19.707 1.00 0.00 WT3 H ATOM 36207 H2 TIP3 147 45.737 86.665 20.678 1.00 0.00 WT3 H ATOM 36208 OH2 TIP3 148 31.562 1.193 40.955 1.00 0.00 WT3 O ATOM 36209 H1 TIP3 148 30.989 0.469 40.702 1.00 0.00 WT3 H ATOM 36210 H2 TIP3 148 31.754 1.646 40.134 1.00 0.00 WT3 H ATOM 36211 OH2 TIP3 149 84.913 83.985 -14.154 1.00 0.00 WT3 O ATOM 36212 H1 TIP3 149 84.659 83.124 -13.821 1.00 0.00 WT3 H ATOM 36213 H2 TIP3 149 85.865 83.939 -14.239 1.00 0.00 WT3 H ATOM 36214 OH2 TIP3 150 45.735 65.800 -18.729 1.00 0.00 WT3 O ATOM 36215 H1 TIP3 150 46.545 66.174 -19.078 1.00 0.00 WT3 H ATOM 36216 H2 TIP3 150 45.132 65.799 -19.472 1.00 0.00 WT3 H ATOM 36217 OH2 TIP3 151 44.397 57.363 -12.197 1.00 0.00 WT3 O ATOM 36218 H1 TIP3 151 44.802 57.478 -13.057 1.00 0.00 WT3 H ATOM 36219 H2 TIP3 151 45.043 57.706 -11.579 1.00 0.00 WT3 H ATOM 36220 OH2 TIP3 152 82.020 57.625 -10.114 1.00 0.00 WT3 O ATOM 36221 H1 TIP3 152 81.313 57.908 -9.535 1.00 0.00 WT3 H ATOM 36222 H2 TIP3 152 81.802 56.718 -10.332 1.00 0.00 WT3 H ATOM 36223 OH2 TIP3 154 27.078 74.091 33.645 1.00 0.00 WT3 O ATOM 36224 H1 TIP3 154 27.986 73.898 33.879 1.00 0.00 WT3 H ATOM 36225 H2 TIP3 154 26.619 74.142 34.484 1.00 0.00 WT3 H ATOM 36226 OH2 TIP3 155 81.357 81.274 30.382 1.00 0.00 WT3 O ATOM 36227 H1 TIP3 155 81.483 82.149 30.749 1.00 0.00 WT3 H ATOM 36228 H2 TIP3 155 82.155 81.106 29.881 1.00 0.00 WT3 H ATOM 36229 OH2 TIP3 156 90.549 60.090 -17.758 1.00 0.00 WT3 O ATOM 36230 H1 TIP3 156 89.752 59.741 -18.156 1.00 0.00 WT3 H ATOM 36231 H2 TIP3 156 90.371 60.080 -16.817 1.00 0.00 WT3 H ATOM 36232 OH2 TIP3 157 35.437 27.426 -3.782 1.00 0.00 WT3 O ATOM 36233 H1 TIP3 157 35.285 27.935 -2.986 1.00 0.00 WT3 H ATOM 36234 H2 TIP3 157 34.563 27.283 -4.146 1.00 0.00 WT3 H ATOM 36235 OH2 TIP3 158 31.294 61.352 13.748 1.00 0.00 WT3 O ATOM 36236 H1 TIP3 158 32.019 61.016 13.221 1.00 0.00 WT3 H ATOM 36237 H2 TIP3 158 30.786 60.575 13.981 1.00 0.00 WT3 H ATOM 36238 OH2 TIP3 159 65.031 65.418 35.664 1.00 0.00 WT3 O ATOM 36239 H1 TIP3 159 64.508 65.580 36.449 1.00 0.00 WT3 H ATOM 36240 H2 TIP3 159 64.593 64.685 35.231 1.00 0.00 WT3 H ATOM 36241 OH2 TIP3 160 62.467 74.152 47.251 1.00 0.00 WT3 O ATOM 36242 H1 TIP3 160 62.813 73.295 47.004 1.00 0.00 WT3 H ATOM 36243 H2 TIP3 160 62.367 74.619 46.421 1.00 0.00 WT3 H ATOM 36244 OH2 TIP3 161 71.116 31.882 -10.956 1.00 0.00 WT3 O ATOM 36245 H1 TIP3 161 71.077 32.537 -11.652 1.00 0.00 WT3 H ATOM 36246 H2 TIP3 161 71.685 32.271 -10.292 1.00 0.00 WT3 H ATOM 36247 OH2 TIP3 162 85.456 34.591 15.685 1.00 0.00 WT3 O ATOM 36248 H1 TIP3 162 86.113 34.130 15.163 1.00 0.00 WT3 H ATOM 36249 H2 TIP3 162 85.713 34.428 16.592 1.00 0.00 WT3 H ATOM 36250 OH2 TIP3 164 45.775 16.453 -6.227 1.00 0.00 WT3 O ATOM 36251 H1 TIP3 164 44.987 16.632 -6.739 1.00 0.00 WT3 H ATOM 36252 H2 TIP3 164 45.730 17.066 -5.494 1.00 0.00 WT3 H ATOM 36253 OH2 TIP3 165 20.879 39.533 45.328 1.00 0.00 WT3 O ATOM 36254 H1 TIP3 165 20.609 40.029 44.556 1.00 0.00 WT3 H ATOM 36255 H2 TIP3 165 20.369 39.910 46.046 1.00 0.00 WT3 H ATOM 36256 OH2 TIP3 166 27.359 20.842 -9.747 1.00 0.00 WT3 O ATOM 36257 H1 TIP3 166 27.036 20.595 -10.613 1.00 0.00 WT3 H ATOM 36258 H2 TIP3 166 26.567 21.023 -9.239 1.00 0.00 WT3 H ATOM 36259 OH2 TIP3 167 45.567 72.517 59.069 1.00 0.00 WT3 O ATOM 36260 H1 TIP3 167 45.152 73.313 58.735 1.00 0.00 WT3 H ATOM 36261 H2 TIP3 167 44.869 72.064 59.543 1.00 0.00 WT3 H ATOM 36262 OH2 TIP3 169 50.075 56.712 58.015 1.00 0.00 WT3 O ATOM 36263 H1 TIP3 169 50.329 57.439 58.583 1.00 0.00 WT3 H ATOM 36264 H2 TIP3 169 50.702 56.742 57.293 1.00 0.00 WT3 H ATOM 36265 OH2 TIP3 171 42.135 42.042 -10.745 1.00 0.00 WT3 O ATOM 36266 H1 TIP3 171 42.944 41.769 -10.311 1.00 0.00 WT3 H ATOM 36267 H2 TIP3 171 41.439 41.778 -10.144 1.00 0.00 WT3 H ATOM 36268 OH2 TIP3 176 68.085 71.415 36.944 1.00 0.00 WT3 O ATOM 36269 H1 TIP3 176 68.567 70.591 37.018 1.00 0.00 WT3 H ATOM 36270 H2 TIP3 176 68.234 71.700 36.043 1.00 0.00 WT3 H ATOM 36271 OH2 TIP3 177 86.858 2.636 54.237 1.00 0.00 WT3 O ATOM 36272 H1 TIP3 177 87.259 2.243 55.012 1.00 0.00 WT3 H ATOM 36273 H2 TIP3 177 87.295 2.211 53.499 1.00 0.00 WT3 H ATOM 36274 OH2 TIP3 180 79.717 62.649 -14.691 1.00 0.00 WT3 O ATOM 36275 H1 TIP3 180 78.948 62.909 -15.198 1.00 0.00 WT3 H ATOM 36276 H2 TIP3 180 80.459 62.843 -15.263 1.00 0.00 WT3 H ATOM 36277 OH2 TIP3 182 24.332 34.029 27.744 1.00 0.00 WT3 O ATOM 36278 H1 TIP3 182 24.575 34.289 28.632 1.00 0.00 WT3 H ATOM 36279 H2 TIP3 182 23.908 34.804 27.375 1.00 0.00 WT3 H ATOM 36280 OH2 TIP3 183 46.314 73.721 27.958 1.00 0.00 WT3 O ATOM 36281 H1 TIP3 183 46.987 73.703 27.277 1.00 0.00 WT3 H ATOM 36282 H2 TIP3 183 46.528 72.981 28.527 1.00 0.00 WT3 H ATOM 36283 OH2 TIP3 184 52.176 91.694 -11.052 1.00 0.00 WT3 O ATOM 36284 H1 TIP3 184 51.794 90.872 -10.746 1.00 0.00 WT3 H ATOM 36285 H2 TIP3 184 51.659 92.374 -10.620 1.00 0.00 WT3 H ATOM 36286 OH2 TIP3 186 62.349 84.887 -15.801 1.00 0.00 WT3 O ATOM 36287 H1 TIP3 186 61.961 85.595 -15.285 1.00 0.00 WT3 H ATOM 36288 H2 TIP3 186 63.292 85.043 -15.749 1.00 0.00 WT3 H ATOM 36289 OH2 TIP3 187 34.338 61.296 21.424 1.00 0.00 WT3 O ATOM 36290 H1 TIP3 187 35.285 61.421 21.364 1.00 0.00 WT3 H ATOM 36291 H2 TIP3 187 34.014 62.102 21.827 1.00 0.00 WT3 H ATOM 36292 OH2 TIP3 188 24.212 51.032 -4.689 1.00 0.00 WT3 O ATOM 36293 H1 TIP3 188 24.288 50.993 -5.642 1.00 0.00 WT3 H ATOM 36294 H2 TIP3 188 23.464 50.471 -4.485 1.00 0.00 WT3 H ATOM 36295 OH2 TIP3 192 70.809 21.771 -3.209 1.00 0.00 WT3 O ATOM 36296 H1 TIP3 192 70.375 22.082 -2.415 1.00 0.00 WT3 H ATOM 36297 H2 TIP3 192 71.429 21.111 -2.900 1.00 0.00 WT3 H ATOM 36298 OH2 TIP3 193 61.843 33.684 3.428 1.00 0.00 WT3 O ATOM 36299 H1 TIP3 193 61.090 33.093 3.447 1.00 0.00 WT3 H ATOM 36300 H2 TIP3 193 61.549 34.462 3.901 1.00 0.00 WT3 H ATOM 36301 OH2 TIP3 197 44.571 75.055 62.642 1.00 0.00 WT3 O ATOM 36302 H1 TIP3 197 45.475 74.980 62.336 1.00 0.00 WT3 H ATOM 36303 H2 TIP3 197 44.268 74.150 62.718 1.00 0.00 WT3 H ATOM 36304 OH2 TIP3 200 61.559 30.762 35.270 1.00 0.00 WT3 O ATOM 36305 H1 TIP3 200 61.684 31.258 34.461 1.00 0.00 WT3 H ATOM 36306 H2 TIP3 200 60.683 30.384 35.187 1.00 0.00 WT3 H ATOM 36307 OH2 TIP3 201 55.864 0.240 8.811 1.00 0.00 WT3 O ATOM 36308 H1 TIP3 201 55.500 1.081 9.087 1.00 0.00 WT3 H ATOM 36309 H2 TIP3 201 56.780 0.273 9.088 1.00 0.00 WT3 H ATOM 36310 OH2 TIP3 203 71.927 65.732 55.081 1.00 0.00 WT3 O ATOM 36311 H1 TIP3 203 72.213 65.637 54.172 1.00 0.00 WT3 H ATOM 36312 H2 TIP3 203 71.157 65.168 55.151 1.00 0.00 WT3 H ATOM 36313 OH2 TIP3 204 42.890 10.126 24.005 1.00 0.00 WT3 O ATOM 36314 H1 TIP3 204 43.684 10.403 23.547 1.00 0.00 WT3 H ATOM 36315 H2 TIP3 204 42.967 10.517 24.876 1.00 0.00 WT3 H ATOM 36316 OH2 TIP3 210 71.480 51.222 32.025 1.00 0.00 WT3 O ATOM 36317 H1 TIP3 210 70.968 50.433 32.205 1.00 0.00 WT3 H ATOM 36318 H2 TIP3 210 70.904 51.944 32.273 1.00 0.00 WT3 H ATOM 36319 OH2 TIP3 212 88.459 75.777 6.639 1.00 0.00 WT3 O ATOM 36320 H1 TIP3 212 88.690 76.667 6.374 1.00 0.00 WT3 H ATOM 36321 H2 TIP3 212 89.286 75.388 6.924 1.00 0.00 WT3 H ATOM 36322 OH2 TIP3 215 55.562 45.490 49.818 1.00 0.00 WT3 O ATOM 36323 H1 TIP3 215 56.305 45.982 50.168 1.00 0.00 WT3 H ATOM 36324 H2 TIP3 215 55.900 44.604 49.690 1.00 0.00 WT3 H ATOM 36325 OH2 TIP3 221 86.027 60.388 27.333 1.00 0.00 WT3 O ATOM 36326 H1 TIP3 221 85.578 60.175 28.151 1.00 0.00 WT3 H ATOM 36327 H2 TIP3 221 86.928 60.097 27.471 1.00 0.00 WT3 H ATOM 36328 OH2 TIP3 223 67.855 51.949 40.970 1.00 0.00 WT3 O ATOM 36329 H1 TIP3 223 67.005 52.164 40.587 1.00 0.00 WT3 H ATOM 36330 H2 TIP3 223 67.747 52.122 41.905 1.00 0.00 WT3 H ATOM 36331 OH2 TIP3 225 66.482 39.839 -0.778 1.00 0.00 WT3 O ATOM 36332 H1 TIP3 225 67.314 39.766 -1.245 1.00 0.00 WT3 H ATOM 36333 H2 TIP3 225 65.827 39.941 -1.469 1.00 0.00 WT3 H ATOM 36334 OH2 TIP3 232 52.019 2.640 32.910 1.00 0.00 WT3 O ATOM 36335 H1 TIP3 232 52.625 3.369 32.785 1.00 0.00 WT3 H ATOM 36336 H2 TIP3 232 52.106 2.116 32.113 1.00 0.00 WT3 H ATOM 36337 OH2 TIP3 234 77.926 93.429 1.916 1.00 0.00 WT3 O ATOM 36338 H1 TIP3 234 78.806 93.770 1.758 1.00 0.00 WT3 H ATOM 36339 H2 TIP3 234 77.428 94.185 2.227 1.00 0.00 WT3 H ATOM 36340 OH2 TIP3 236 66.467 77.019 -5.032 1.00 0.00 WT3 O ATOM 36341 H1 TIP3 236 65.993 77.111 -4.206 1.00 0.00 WT3 H ATOM 36342 H2 TIP3 236 66.126 76.212 -5.417 1.00 0.00 WT3 H ATOM 36343 OH2 TIP3 237 35.637 24.173 38.465 1.00 0.00 WT3 O ATOM 36344 H1 TIP3 237 36.348 24.692 38.090 1.00 0.00 WT3 H ATOM 36345 H2 TIP3 237 35.595 23.390 37.916 1.00 0.00 WT3 H ATOM 36346 OH2 TIP3 239 42.613 76.673 -6.382 1.00 0.00 WT3 O ATOM 36347 H1 TIP3 239 43.492 77.019 -6.228 1.00 0.00 WT3 H ATOM 36348 H2 TIP3 239 42.439 76.115 -5.624 1.00 0.00 WT3 H ATOM 36349 OH2 TIP3 241 90.032 1.805 66.539 1.00 0.00 WT3 O ATOM 36350 H1 TIP3 241 90.525 1.030 66.809 1.00 0.00 WT3 H ATOM 36351 H2 TIP3 241 90.116 1.823 65.586 1.00 0.00 WT3 H ATOM 36352 OH2 TIP3 245 63.994 61.833 37.018 1.00 0.00 WT3 O ATOM 36353 H1 TIP3 245 63.819 61.889 37.957 1.00 0.00 WT3 H ATOM 36354 H2 TIP3 245 63.128 61.754 36.617 1.00 0.00 WT3 H ATOM 36355 OH2 TIP3 256 46.134 88.292 -17.462 1.00 0.00 WT3 O ATOM 36356 H1 TIP3 256 46.946 88.012 -17.884 1.00 0.00 WT3 H ATOM 36357 H2 TIP3 256 45.444 87.832 -17.940 1.00 0.00 WT3 H ATOM 36358 OH2 TIP3 261 77.098 32.050 -13.893 1.00 0.00 WT3 O ATOM 36359 H1 TIP3 261 77.566 32.830 -14.192 1.00 0.00 WT3 H ATOM 36360 H2 TIP3 261 77.496 31.329 -14.382 1.00 0.00 WT3 H ATOM 36361 OH2 TIP3 268 89.298 74.131 38.673 1.00 0.00 WT3 O ATOM 36362 H1 TIP3 268 88.773 74.035 37.878 1.00 0.00 WT3 H ATOM 36363 H2 TIP3 268 89.475 73.233 38.953 1.00 0.00 WT3 H ATOM 36364 OH2 TIP3 270 34.795 92.984 9.366 1.00 0.00 WT3 O ATOM 36365 H1 TIP3 270 35.078 93.850 9.074 1.00 0.00 WT3 H ATOM 36366 H2 TIP3 270 35.033 92.954 10.293 1.00 0.00 WT3 H ATOM 36367 OH2 TIP3 272 76.431 69.295 55.355 1.00 0.00 WT3 O ATOM 36368 H1 TIP3 272 76.282 69.712 54.507 1.00 0.00 WT3 H ATOM 36369 H2 TIP3 272 75.745 68.630 55.419 1.00 0.00 WT3 H ATOM 36370 OH2 TIP3 282 44.998 85.169 3.183 1.00 0.00 WT3 O ATOM 36371 H1 TIP3 282 44.412 85.081 2.430 1.00 0.00 WT3 H ATOM 36372 H2 TIP3 282 45.175 86.107 3.241 1.00 0.00 WT3 H ATOM 36373 OH2 TIP3 287 79.490 42.405 37.838 1.00 0.00 WT3 O ATOM 36374 H1 TIP3 287 79.569 42.978 37.075 1.00 0.00 WT3 H ATOM 36375 H2 TIP3 287 80.352 42.437 38.253 1.00 0.00 WT3 H ATOM 36376 OH2 TIP3 290 70.192 59.194 0.566 1.00 0.00 WT3 O ATOM 36377 H1 TIP3 290 70.727 59.726 1.155 1.00 0.00 WT3 H ATOM 36378 H2 TIP3 290 69.307 59.254 0.925 1.00 0.00 WT3 H ATOM 36379 OH2 TIP3 313 21.946 33.073 26.108 1.00 0.00 WT3 O ATOM 36380 H1 TIP3 313 22.474 33.779 26.482 1.00 0.00 WT3 H ATOM 36381 H2 TIP3 313 21.951 33.244 25.166 1.00 0.00 WT3 H ATOM 36382 OH2 TIP3 360 62.932 23.618 5.009 1.00 0.00 WT3 O ATOM 36383 H1 TIP3 360 62.529 24.370 5.442 1.00 0.00 WT3 H ATOM 36384 H2 TIP3 360 63.629 23.996 4.472 1.00 0.00 WT3 H ATOM 36385 OH2 TIP3 365 88.302 47.742 3.439 1.00 0.00 WT3 O ATOM 36386 H1 TIP3 365 88.842 48.233 4.058 1.00 0.00 WT3 H ATOM 36387 H2 TIP3 365 87.407 48.025 3.625 1.00 0.00 WT3 H ATOM 36388 OH2 TIP3 370 47.766 82.412 27.679 1.00 0.00 WT3 O ATOM 36389 H1 TIP3 370 48.630 82.409 27.267 1.00 0.00 WT3 H ATOM 36390 H2 TIP3 370 47.301 81.683 27.268 1.00 0.00 WT3 H ATOM 36391 OH2 TIP3 379 86.098 10.432 60.847 1.00 0.00 WT3 O ATOM 36392 H1 TIP3 379 86.496 11.299 60.930 1.00 0.00 WT3 H ATOM 36393 H2 TIP3 379 85.382 10.556 60.224 1.00 0.00 WT3 H ATOM 36394 OH2 TIP3 400 75.585 21.906 50.901 1.00 0.00 WT3 O ATOM 36395 H1 TIP3 400 75.730 22.063 49.968 1.00 0.00 WT3 H ATOM 36396 H2 TIP3 400 74.973 22.592 51.168 1.00 0.00 WT3 H ATOM 36397 OH2 TIP3 407 46.892 56.126 -1.130 1.00 0.00 WT3 O ATOM 36398 H1 TIP3 407 46.240 56.462 -0.515 1.00 0.00 WT3 H ATOM 36399 H2 TIP3 407 47.640 55.891 -0.582 1.00 0.00 WT3 H ATOM 36400 OH2 TIP3 408 30.265 38.800 28.617 1.00 0.00 WT3 O ATOM 36401 H1 TIP3 408 30.942 38.600 27.971 1.00 0.00 WT3 H ATOM 36402 H2 TIP3 408 30.749 39.070 29.397 1.00 0.00 WT3 H ATOM 36403 OH2 TIP3 411 55.802 1.829 24.907 1.00 0.00 WT3 O ATOM 36404 H1 TIP3 411 56.169 0.956 24.767 1.00 0.00 WT3 H ATOM 36405 H2 TIP3 411 54.908 1.770 24.569 1.00 0.00 WT3 H ATOM 36406 OH2 TIP3 412 78.721 17.255 64.607 1.00 0.00 WT3 O ATOM 36407 H1 TIP3 412 78.225 16.437 64.586 1.00 0.00 WT3 H ATOM 36408 H2 TIP3 412 79.449 17.111 64.003 1.00 0.00 WT3 H ATOM 36409 OH2 TIP3 413 83.385 39.185 44.852 1.00 0.00 WT3 O ATOM 36410 H1 TIP3 413 82.492 39.166 44.510 1.00 0.00 WT3 H ATOM 36411 H2 TIP3 413 83.916 38.792 44.159 1.00 0.00 WT3 H ATOM 36412 OH2 TIP3 417 37.226 1.848 28.200 1.00 0.00 WT3 O ATOM 36413 H1 TIP3 417 37.735 1.039 28.141 1.00 0.00 WT3 H ATOM 36414 H2 TIP3 417 37.511 2.252 29.019 1.00 0.00 WT3 H ATOM 36415 OH2 TIP3 421 59.245 66.368 -17.315 1.00 0.00 WT3 O ATOM 36416 H1 TIP3 421 58.965 66.530 -18.216 1.00 0.00 WT3 H ATOM 36417 H2 TIP3 421 58.434 66.183 -16.841 1.00 0.00 WT3 H ATOM 36418 OH2 TIP3 424 25.045 74.265 17.805 1.00 0.00 WT3 O ATOM 36419 H1 TIP3 424 25.839 73.927 18.220 1.00 0.00 WT3 H ATOM 36420 H2 TIP3 424 24.353 74.111 18.447 1.00 0.00 WT3 H ATOM 36421 OH2 TIP3 429 51.993 15.262 6.611 1.00 0.00 WT3 O ATOM 36422 H1 TIP3 429 52.830 15.603 6.295 1.00 0.00 WT3 H ATOM 36423 H2 TIP3 429 51.405 15.335 5.860 1.00 0.00 WT3 H ATOM 36424 OH2 TIP3 430 85.991 55.805 22.344 1.00 0.00 WT3 O ATOM 36425 H1 TIP3 430 86.225 55.483 21.474 1.00 0.00 WT3 H ATOM 36426 H2 TIP3 430 85.209 56.338 22.200 1.00 0.00 WT3 H ATOM 36427 OH2 TIP3 432 66.868 48.040 38.443 1.00 0.00 WT3 O ATOM 36428 H1 TIP3 432 66.514 47.755 39.285 1.00 0.00 WT3 H ATOM 36429 H2 TIP3 432 66.104 48.338 37.950 1.00 0.00 WT3 H ATOM 36430 OH2 TIP3 434 40.893 41.963 52.966 1.00 0.00 WT3 O ATOM 36431 H1 TIP3 434 40.772 42.071 52.023 1.00 0.00 WT3 H ATOM 36432 H2 TIP3 434 41.461 42.690 53.220 1.00 0.00 WT3 H ATOM 36433 OH2 TIP3 436 49.647 35.919 23.096 1.00 0.00 WT3 O ATOM 36434 H1 TIP3 436 50.131 35.280 23.620 1.00 0.00 WT3 H ATOM 36435 H2 TIP3 436 49.995 35.815 22.210 1.00 0.00 WT3 H ATOM 36436 OH2 TIP3 437 90.236 35.965 -13.924 1.00 0.00 WT3 O ATOM 36437 H1 TIP3 437 89.997 36.025 -14.849 1.00 0.00 WT3 H ATOM 36438 H2 TIP3 437 91.188 35.863 -13.929 1.00 0.00 WT3 H ATOM 36439 OH2 TIP3 438 61.984 70.022 32.160 1.00 0.00 WT3 O ATOM 36440 H1 TIP3 438 61.108 70.405 32.208 1.00 0.00 WT3 H ATOM 36441 H2 TIP3 438 62.282 70.217 31.272 1.00 0.00 WT3 H ATOM 36442 OH2 TIP3 440 50.356 79.905 52.871 1.00 0.00 WT3 O ATOM 36443 H1 TIP3 440 49.824 80.620 53.222 1.00 0.00 WT3 H ATOM 36444 H2 TIP3 440 50.064 79.812 51.964 1.00 0.00 WT3 H ATOM 36445 OH2 TIP3 441 26.848 35.883 45.714 1.00 0.00 WT3 O ATOM 36446 H1 TIP3 441 27.460 36.618 45.756 1.00 0.00 WT3 H ATOM 36447 H2 TIP3 441 26.886 35.590 44.804 1.00 0.00 WT3 H ATOM 36448 OH2 TIP3 442 26.592 1.505 -15.873 1.00 0.00 WT3 O ATOM 36449 H1 TIP3 442 27.194 1.734 -16.580 1.00 0.00 WT3 H ATOM 36450 H2 TIP3 442 26.746 0.573 -15.718 1.00 0.00 WT3 H ATOM 36451 OH2 TIP3 443 70.375 73.006 -0.512 1.00 0.00 WT3 O ATOM 36452 H1 TIP3 443 70.690 72.457 -1.230 1.00 0.00 WT3 H ATOM 36453 H2 TIP3 443 69.837 73.673 -0.938 1.00 0.00 WT3 H ATOM 36454 OH2 TIP3 444 83.396 56.935 58.623 1.00 0.00 WT3 O ATOM 36455 H1 TIP3 444 84.341 56.991 58.758 1.00 0.00 WT3 H ATOM 36456 H2 TIP3 444 83.295 56.829 57.677 1.00 0.00 WT3 H ATOM 36457 OH2 TIP3 447 52.714 92.350 32.515 1.00 0.00 WT3 O ATOM 36458 H1 TIP3 447 53.142 92.488 31.670 1.00 0.00 WT3 H ATOM 36459 H2 TIP3 447 52.718 91.400 32.634 1.00 0.00 WT3 H ATOM 36460 OH2 TIP3 449 49.196 89.796 12.529 1.00 0.00 WT3 O ATOM 36461 H1 TIP3 449 48.433 89.626 13.081 1.00 0.00 WT3 H ATOM 36462 H2 TIP3 449 49.319 90.744 12.573 1.00 0.00 WT3 H ATOM 36463 OH2 TIP3 450 85.626 96.195 6.065 1.00 0.00 WT3 O ATOM 36464 H1 TIP3 450 86.160 96.214 5.271 1.00 0.00 WT3 H ATOM 36465 H2 TIP3 450 85.339 97.101 6.182 1.00 0.00 WT3 H ATOM 36466 OH2 TIP3 451 72.798 93.901 57.943 1.00 0.00 WT3 O ATOM 36467 H1 TIP3 451 73.563 94.284 58.373 1.00 0.00 WT3 H ATOM 36468 H2 TIP3 451 72.697 93.043 58.354 1.00 0.00 WT3 H ATOM 36469 OH2 TIP3 452 79.444 91.167 4.862 1.00 0.00 WT3 O ATOM 36470 H1 TIP3 452 79.068 91.863 4.323 1.00 0.00 WT3 H ATOM 36471 H2 TIP3 452 79.781 91.617 5.636 1.00 0.00 WT3 H ATOM 36472 OH2 TIP3 453 22.401 88.714 52.081 1.00 0.00 WT3 O ATOM 36473 H1 TIP3 453 23.153 88.770 51.491 1.00 0.00 WT3 H ATOM 36474 H2 TIP3 453 22.120 87.800 52.026 1.00 0.00 WT3 H ATOM 36475 OH2 TIP3 455 24.944 38.655 21.250 1.00 0.00 WT3 O ATOM 36476 H1 TIP3 455 24.334 38.783 20.524 1.00 0.00 WT3 H ATOM 36477 H2 TIP3 455 24.545 37.964 21.780 1.00 0.00 WT3 H ATOM 36478 OH2 TIP3 457 23.769 19.687 40.038 1.00 0.00 WT3 O ATOM 36479 H1 TIP3 457 23.742 18.756 39.818 1.00 0.00 WT3 H ATOM 36480 H2 TIP3 457 23.187 19.771 40.794 1.00 0.00 WT3 H ATOM 36481 OH2 TIP3 458 25.797 82.435 47.346 1.00 0.00 WT3 O ATOM 36482 H1 TIP3 458 26.663 82.836 47.271 1.00 0.00 WT3 H ATOM 36483 H2 TIP3 458 25.904 81.759 48.015 1.00 0.00 WT3 H ATOM 36484 OH2 TIP3 459 71.602 41.004 40.410 1.00 0.00 WT3 O ATOM 36485 H1 TIP3 459 70.736 40.600 40.458 1.00 0.00 WT3 H ATOM 36486 H2 TIP3 459 71.809 41.018 39.476 1.00 0.00 WT3 H ATOM 36487 OH2 TIP3 461 49.352 6.524 -1.686 1.00 0.00 WT3 O ATOM 36488 H1 TIP3 461 49.680 6.756 -0.817 1.00 0.00 WT3 H ATOM 36489 H2 TIP3 461 49.574 5.598 -1.786 1.00 0.00 WT3 H ATOM 36490 OH2 TIP3 462 68.346 61.752 30.650 1.00 0.00 WT3 O ATOM 36491 H1 TIP3 462 69.019 61.081 30.762 1.00 0.00 WT3 H ATOM 36492 H2 TIP3 462 67.534 61.260 30.526 1.00 0.00 WT3 H ATOM 36493 OH2 TIP3 463 58.061 71.477 36.698 1.00 0.00 WT3 O ATOM 36494 H1 TIP3 463 58.275 71.055 37.531 1.00 0.00 WT3 H ATOM 36495 H2 TIP3 463 57.988 70.754 36.075 1.00 0.00 WT3 H ATOM 36496 OH2 TIP3 465 51.039 5.136 -11.435 1.00 0.00 WT3 O ATOM 36497 H1 TIP3 465 51.137 4.186 -11.368 1.00 0.00 WT3 H ATOM 36498 H2 TIP3 465 50.201 5.321 -11.012 1.00 0.00 WT3 H ATOM 36499 OH2 TIP3 466 78.963 37.400 -1.156 1.00 0.00 WT3 O ATOM 36500 H1 TIP3 466 79.301 38.108 -1.704 1.00 0.00 WT3 H ATOM 36501 H2 TIP3 466 79.528 37.405 -0.383 1.00 0.00 WT3 H ATOM 36502 OH2 TIP3 467 79.997 56.529 -1.789 1.00 0.00 WT3 O ATOM 36503 H1 TIP3 467 80.784 57.044 -1.613 1.00 0.00 WT3 H ATOM 36504 H2 TIP3 467 79.281 57.162 -1.744 1.00 0.00 WT3 H ATOM 36505 OH2 TIP3 469 72.331 29.009 -14.532 1.00 0.00 WT3 O ATOM 36506 H1 TIP3 469 72.193 28.620 -13.668 1.00 0.00 WT3 H ATOM 36507 H2 TIP3 469 72.439 29.944 -14.360 1.00 0.00 WT3 H ATOM 36508 OH2 TIP3 473 29.832 82.985 44.083 1.00 0.00 WT3 O ATOM 36509 H1 TIP3 473 29.902 83.275 44.992 1.00 0.00 WT3 H ATOM 36510 H2 TIP3 473 30.735 82.823 43.812 1.00 0.00 WT3 H ATOM 36511 OH2 TIP3 474 21.379 56.661 18.007 1.00 0.00 WT3 O ATOM 36512 H1 TIP3 474 21.131 55.738 18.063 1.00 0.00 WT3 H ATOM 36513 H2 TIP3 474 21.419 56.954 18.917 1.00 0.00 WT3 H ATOM 36514 OH2 TIP3 478 35.217 95.516 8.465 1.00 0.00 WT3 O ATOM 36515 H1 TIP3 478 35.831 95.628 9.190 1.00 0.00 WT3 H ATOM 36516 H2 TIP3 478 35.644 95.942 7.721 1.00 0.00 WT3 H ATOM 36517 OH2 TIP3 479 75.315 69.707 -11.338 1.00 0.00 WT3 O ATOM 36518 H1 TIP3 479 74.589 69.511 -10.747 1.00 0.00 WT3 H ATOM 36519 H2 TIP3 479 76.094 69.404 -10.872 1.00 0.00 WT3 H ATOM 36520 OH2 TIP3 484 61.007 51.804 -6.407 1.00 0.00 WT3 O ATOM 36521 H1 TIP3 484 60.466 52.106 -5.678 1.00 0.00 WT3 H ATOM 36522 H2 TIP3 484 61.891 52.099 -6.189 1.00 0.00 WT3 H ATOM 36523 OH2 TIP3 485 72.832 20.002 43.635 1.00 0.00 WT3 O ATOM 36524 H1 TIP3 485 73.365 19.339 43.195 1.00 0.00 WT3 H ATOM 36525 H2 TIP3 485 72.610 19.610 44.479 1.00 0.00 WT3 H ATOM 36526 OH2 TIP3 486 30.410 45.892 36.910 1.00 0.00 WT3 O ATOM 36527 H1 TIP3 486 30.653 45.037 36.553 1.00 0.00 WT3 H ATOM 36528 H2 TIP3 486 29.507 46.024 36.623 1.00 0.00 WT3 H ATOM 36529 OH2 TIP3 487 81.264 85.267 -9.381 1.00 0.00 WT3 O ATOM 36530 H1 TIP3 487 81.712 85.931 -8.857 1.00 0.00 WT3 H ATOM 36531 H2 TIP3 487 81.226 85.641 -10.261 1.00 0.00 WT3 H ATOM 36532 OH2 TIP3 488 41.312 44.996 11.833 1.00 0.00 WT3 O ATOM 36533 H1 TIP3 488 41.566 44.374 12.516 1.00 0.00 WT3 H ATOM 36534 H2 TIP3 488 42.091 45.537 11.701 1.00 0.00 WT3 H ATOM 36535 OH2 TIP3 489 28.694 25.796 56.449 1.00 0.00 WT3 O ATOM 36536 H1 TIP3 489 29.432 25.512 56.988 1.00 0.00 WT3 H ATOM 36537 H2 TIP3 489 28.527 25.058 55.863 1.00 0.00 WT3 H ATOM 36538 OH2 TIP3 490 73.991 75.972 56.925 1.00 0.00 WT3 O ATOM 36539 H1 TIP3 490 73.969 75.532 56.075 1.00 0.00 WT3 H ATOM 36540 H2 TIP3 490 74.410 75.342 57.511 1.00 0.00 WT3 H ATOM 36541 OH2 TIP3 491 60.315 63.500 48.979 1.00 0.00 WT3 O ATOM 36542 H1 TIP3 491 60.246 62.832 49.661 1.00 0.00 WT3 H ATOM 36543 H2 TIP3 491 59.437 63.549 48.601 1.00 0.00 WT3 H ATOM 36544 OH2 TIP3 492 64.840 5.860 52.978 1.00 0.00 WT3 O ATOM 36545 H1 TIP3 492 64.866 6.578 53.611 1.00 0.00 WT3 H ATOM 36546 H2 TIP3 492 64.779 5.070 53.514 1.00 0.00 WT3 H ATOM 36547 OH2 TIP3 493 63.718 37.527 28.527 1.00 0.00 WT3 O ATOM 36548 H1 TIP3 493 64.482 37.798 29.035 1.00 0.00 WT3 H ATOM 36549 H2 TIP3 493 63.848 37.927 27.667 1.00 0.00 WT3 H ATOM 36550 OH2 TIP3 494 77.266 92.419 -16.076 1.00 0.00 WT3 O ATOM 36551 H1 TIP3 494 78.203 92.410 -16.270 1.00 0.00 WT3 H ATOM 36552 H2 TIP3 494 77.198 92.888 -15.244 1.00 0.00 WT3 H ATOM 36553 OH2 TIP3 495 47.750 20.638 3.347 1.00 0.00 WT3 O ATOM 36554 H1 TIP3 495 47.486 21.352 2.766 1.00 0.00 WT3 H ATOM 36555 H2 TIP3 495 48.528 20.969 3.796 1.00 0.00 WT3 H ATOM 36556 OH2 TIP3 497 87.734 78.334 61.649 1.00 0.00 WT3 O ATOM 36557 H1 TIP3 497 86.809 78.549 61.768 1.00 0.00 WT3 H ATOM 36558 H2 TIP3 497 88.202 78.980 62.178 1.00 0.00 WT3 H ATOM 36559 OH2 TIP3 498 57.190 32.980 -10.047 1.00 0.00 WT3 O ATOM 36560 H1 TIP3 498 56.890 32.565 -10.855 1.00 0.00 WT3 H ATOM 36561 H2 TIP3 498 56.481 33.575 -9.805 1.00 0.00 WT3 H ATOM 36562 OH2 TIP3 499 73.009 41.051 43.221 1.00 0.00 WT3 O ATOM 36563 H1 TIP3 499 72.470 41.272 42.461 1.00 0.00 WT3 H ATOM 36564 H2 TIP3 499 73.842 41.496 43.060 1.00 0.00 WT3 H ATOM 36565 OH2 TIP3 500 66.687 40.694 41.515 1.00 0.00 WT3 O ATOM 36566 H1 TIP3 500 65.819 40.490 41.862 1.00 0.00 WT3 H ATOM 36567 H2 TIP3 500 67.226 40.848 42.292 1.00 0.00 WT3 H ATOM 36568 OH2 TIP3 501 32.658 46.766 21.579 1.00 0.00 WT3 O ATOM 36569 H1 TIP3 501 32.627 47.718 21.476 1.00 0.00 WT3 H ATOM 36570 H2 TIP3 501 33.547 46.587 21.885 1.00 0.00 WT3 H ATOM 36571 OH2 TIP3 502 85.177 66.641 50.628 1.00 0.00 WT3 O ATOM 36572 H1 TIP3 502 85.077 67.077 51.475 1.00 0.00 WT3 H ATOM 36573 H2 TIP3 502 85.338 65.723 50.848 1.00 0.00 WT3 H ATOM 36574 OH2 TIP3 503 65.250 47.655 63.849 1.00 0.00 WT3 O ATOM 36575 H1 TIP3 503 65.780 48.437 64.005 1.00 0.00 WT3 H ATOM 36576 H2 TIP3 503 64.848 47.464 64.697 1.00 0.00 WT3 H ATOM 36577 OH2 TIP3 504 50.098 77.031 32.582 1.00 0.00 WT3 O ATOM 36578 H1 TIP3 504 50.595 76.247 32.813 1.00 0.00 WT3 H ATOM 36579 H2 TIP3 504 49.259 76.925 33.030 1.00 0.00 WT3 H ATOM 36580 OH2 TIP3 505 25.493 67.109 49.279 1.00 0.00 WT3 O ATOM 36581 H1 TIP3 505 25.746 67.986 49.567 1.00 0.00 WT3 H ATOM 36582 H2 TIP3 505 26.061 66.929 48.530 1.00 0.00 WT3 H ATOM 36583 OH2 TIP3 506 29.416 93.621 32.661 1.00 0.00 WT3 O ATOM 36584 H1 TIP3 506 29.449 94.102 33.488 1.00 0.00 WT3 H ATOM 36585 H2 TIP3 506 29.598 94.281 31.992 1.00 0.00 WT3 H ATOM 36586 OH2 TIP3 507 46.653 91.605 1.671 1.00 0.00 WT3 O ATOM 36587 H1 TIP3 507 46.990 91.042 2.368 1.00 0.00 WT3 H ATOM 36588 H2 TIP3 507 47.236 92.365 1.673 1.00 0.00 WT3 H ATOM 36589 OH2 TIP3 508 49.281 23.751 56.608 1.00 0.00 WT3 O ATOM 36590 H1 TIP3 508 49.853 23.662 57.370 1.00 0.00 WT3 H ATOM 36591 H2 TIP3 508 49.598 24.537 56.161 1.00 0.00 WT3 H ATOM 36592 OH2 TIP3 509 70.515 71.318 25.258 1.00 0.00 WT3 O ATOM 36593 H1 TIP3 509 69.577 71.297 25.069 1.00 0.00 WT3 H ATOM 36594 H2 TIP3 509 70.739 70.411 25.465 1.00 0.00 WT3 H ATOM 36595 OH2 TIP3 510 36.983 40.782 -14.642 1.00 0.00 WT3 O ATOM 36596 H1 TIP3 510 37.909 40.836 -14.880 1.00 0.00 WT3 H ATOM 36597 H2 TIP3 510 36.655 41.675 -14.751 1.00 0.00 WT3 H ATOM 36598 OH2 TIP3 511 21.367 45.894 57.779 1.00 0.00 WT3 O ATOM 36599 H1 TIP3 511 21.616 46.652 58.308 1.00 0.00 WT3 H ATOM 36600 H2 TIP3 511 20.421 45.813 57.905 1.00 0.00 WT3 H ATOM 36601 OH2 TIP3 512 90.033 3.477 -14.184 1.00 0.00 WT3 O ATOM 36602 H1 TIP3 512 90.476 3.239 -13.370 1.00 0.00 WT3 H ATOM 36603 H2 TIP3 512 89.530 4.262 -13.964 1.00 0.00 WT3 H ATOM 36604 OH2 TIP3 513 74.760 96.438 -8.289 1.00 0.00 WT3 O ATOM 36605 H1 TIP3 513 75.358 96.396 -9.036 1.00 0.00 WT3 H ATOM 36606 H2 TIP3 513 75.305 96.739 -7.562 1.00 0.00 WT3 H ATOM 36607 OH2 TIP3 514 77.894 78.697 34.293 1.00 0.00 WT3 O ATOM 36608 H1 TIP3 514 78.764 78.641 34.688 1.00 0.00 WT3 H ATOM 36609 H2 TIP3 514 77.730 79.636 34.207 1.00 0.00 WT3 H ATOM 36610 OH2 TIP3 515 76.476 47.932 38.895 1.00 0.00 WT3 O ATOM 36611 H1 TIP3 515 76.564 48.831 39.211 1.00 0.00 WT3 H ATOM 36612 H2 TIP3 515 75.753 47.967 38.269 1.00 0.00 WT3 H ATOM 36613 OH2 TIP3 516 23.682 0.855 36.342 1.00 0.00 WT3 O ATOM 36614 H1 TIP3 516 23.415 0.116 35.795 1.00 0.00 WT3 H ATOM 36615 H2 TIP3 516 23.094 0.819 37.097 1.00 0.00 WT3 H ATOM 36616 OH2 TIP3 517 69.010 76.284 65.058 1.00 0.00 WT3 O ATOM 36617 H1 TIP3 517 68.602 75.471 65.356 1.00 0.00 WT3 H ATOM 36618 H2 TIP3 517 68.274 76.857 64.844 1.00 0.00 WT3 H ATOM 36619 OH2 TIP3 518 75.751 83.191 10.816 1.00 0.00 WT3 O ATOM 36620 H1 TIP3 518 75.347 83.549 11.606 1.00 0.00 WT3 H ATOM 36621 H2 TIP3 518 76.060 83.959 10.335 1.00 0.00 WT3 H ATOM 36622 OH2 TIP3 519 30.872 56.438 -16.982 1.00 0.00 WT3 O ATOM 36623 H1 TIP3 519 30.088 56.403 -16.433 1.00 0.00 WT3 H ATOM 36624 H2 TIP3 519 31.362 57.192 -16.652 1.00 0.00 WT3 H ATOM 36625 OH2 TIP3 522 37.191 1.776 21.635 1.00 0.00 WT3 O ATOM 36626 H1 TIP3 522 36.390 1.282 21.810 1.00 0.00 WT3 H ATOM 36627 H2 TIP3 522 36.897 2.681 21.530 1.00 0.00 WT3 H ATOM 36628 OH2 TIP3 523 54.081 69.289 62.107 1.00 0.00 WT3 O ATOM 36629 H1 TIP3 523 53.793 68.634 61.471 1.00 0.00 WT3 H ATOM 36630 H2 TIP3 523 53.547 69.121 62.883 1.00 0.00 WT3 H ATOM 36631 OH2 TIP3 524 84.237 59.547 29.169 1.00 0.00 WT3 O ATOM 36632 H1 TIP3 524 84.425 58.683 28.804 1.00 0.00 WT3 H ATOM 36633 H2 TIP3 524 83.282 59.615 29.145 1.00 0.00 WT3 H ATOM 36634 OH2 TIP3 525 73.877 35.008 20.022 1.00 0.00 WT3 O ATOM 36635 H1 TIP3 525 74.032 34.464 19.250 1.00 0.00 WT3 H ATOM 36636 H2 TIP3 525 72.948 35.234 19.974 1.00 0.00 WT3 H ATOM 36637 OH2 TIP3 526 84.922 22.898 52.163 1.00 0.00 WT3 O ATOM 36638 H1 TIP3 526 84.129 22.468 51.845 1.00 0.00 WT3 H ATOM 36639 H2 TIP3 526 85.442 22.191 52.546 1.00 0.00 WT3 H ATOM 36640 OH2 TIP3 527 51.446 65.193 41.843 1.00 0.00 WT3 O ATOM 36641 H1 TIP3 527 52.080 64.507 41.636 1.00 0.00 WT3 H ATOM 36642 H2 TIP3 527 50.717 65.035 41.244 1.00 0.00 WT3 H ATOM 36643 OH2 TIP3 528 48.373 34.367 -17.030 1.00 0.00 WT3 O ATOM 36644 H1 TIP3 528 48.570 33.458 -17.256 1.00 0.00 WT3 H ATOM 36645 H2 TIP3 528 48.545 34.422 -16.090 1.00 0.00 WT3 H ATOM 36646 OH2 TIP3 529 90.687 94.896 55.081 1.00 0.00 WT3 O ATOM 36647 H1 TIP3 529 90.557 95.336 55.921 1.00 0.00 WT3 H ATOM 36648 H2 TIP3 529 89.805 94.657 54.797 1.00 0.00 WT3 H ATOM 36649 OH2 TIP3 530 31.813 35.502 21.981 1.00 0.00 WT3 O ATOM 36650 H1 TIP3 530 32.081 36.290 21.509 1.00 0.00 WT3 H ATOM 36651 H2 TIP3 530 31.348 35.830 22.751 1.00 0.00 WT3 H ATOM 36652 OH2 TIP3 532 51.135 4.048 21.120 1.00 0.00 WT3 O ATOM 36653 H1 TIP3 532 50.638 4.654 20.570 1.00 0.00 WT3 H ATOM 36654 H2 TIP3 532 51.669 3.547 20.505 1.00 0.00 WT3 H ATOM 36655 OH2 TIP3 533 78.581 52.277 -15.240 1.00 0.00 WT3 O ATOM 36656 H1 TIP3 533 77.946 51.564 -15.181 1.00 0.00 WT3 H ATOM 36657 H2 TIP3 533 78.051 53.058 -15.397 1.00 0.00 WT3 H ATOM 36658 OH2 TIP3 534 65.384 66.446 -17.006 1.00 0.00 WT3 O ATOM 36659 H1 TIP3 534 64.779 67.070 -16.604 1.00 0.00 WT3 H ATOM 36660 H2 TIP3 534 65.449 65.732 -16.372 1.00 0.00 WT3 H ATOM 36661 OH2 TIP3 535 20.177 62.422 8.619 1.00 0.00 WT3 O ATOM 36662 H1 TIP3 535 20.657 62.226 9.424 1.00 0.00 WT3 H ATOM 36663 H2 TIP3 535 20.280 61.636 8.082 1.00 0.00 WT3 H ATOM 36664 OH2 TIP3 536 50.872 2.347 17.735 1.00 0.00 WT3 O ATOM 36665 H1 TIP3 536 51.009 1.684 17.059 1.00 0.00 WT3 H ATOM 36666 H2 TIP3 536 51.504 2.127 18.419 1.00 0.00 WT3 H ATOM 36667 OH2 TIP3 538 39.968 36.261 64.276 1.00 0.00 WT3 O ATOM 36668 H1 TIP3 538 40.502 36.465 63.508 1.00 0.00 WT3 H ATOM 36669 H2 TIP3 538 39.815 37.109 64.693 1.00 0.00 WT3 H ATOM 36670 OH2 TIP3 539 25.871 71.197 26.524 1.00 0.00 WT3 O ATOM 36671 H1 TIP3 539 26.148 71.061 25.618 1.00 0.00 WT3 H ATOM 36672 H2 TIP3 539 26.654 71.019 27.044 1.00 0.00 WT3 H ATOM 36673 OH2 TIP3 540 60.788 69.880 38.412 1.00 0.00 WT3 O ATOM 36674 H1 TIP3 540 59.949 70.036 38.845 1.00 0.00 WT3 H ATOM 36675 H2 TIP3 540 60.677 70.247 37.535 1.00 0.00 WT3 H ATOM 36676 OH2 TIP3 541 22.384 69.514 4.156 1.00 0.00 WT3 O ATOM 36677 H1 TIP3 541 21.613 69.639 4.710 1.00 0.00 WT3 H ATOM 36678 H2 TIP3 541 22.991 69.012 4.699 1.00 0.00 WT3 H ATOM 36679 OH2 TIP3 542 85.941 74.594 61.259 1.00 0.00 WT3 O ATOM 36680 H1 TIP3 542 85.338 74.748 61.986 1.00 0.00 WT3 H ATOM 36681 H2 TIP3 542 85.533 73.891 60.754 1.00 0.00 WT3 H ATOM 36682 OH2 TIP3 543 67.240 18.176 -19.290 1.00 0.00 WT3 O ATOM 36683 H1 TIP3 543 66.583 18.695 -18.827 1.00 0.00 WT3 H ATOM 36684 H2 TIP3 543 68.066 18.632 -19.125 1.00 0.00 WT3 H ATOM 36685 OH2 TIP3 544 52.697 42.174 51.222 1.00 0.00 WT3 O ATOM 36686 H1 TIP3 544 51.752 42.324 51.200 1.00 0.00 WT3 H ATOM 36687 H2 TIP3 544 53.058 42.973 51.609 1.00 0.00 WT3 H ATOM 36688 OH2 TIP3 546 34.443 96.508 -12.156 1.00 0.00 WT3 O ATOM 36689 H1 TIP3 546 34.035 96.711 -11.315 1.00 0.00 WT3 H ATOM 36690 H2 TIP3 546 35.219 95.996 -11.930 1.00 0.00 WT3 H ATOM 36691 OH2 TIP3 547 70.715 25.156 48.475 1.00 0.00 WT3 O ATOM 36692 H1 TIP3 547 70.287 25.898 48.901 1.00 0.00 WT3 H ATOM 36693 H2 TIP3 547 70.791 25.417 47.557 1.00 0.00 WT3 H ATOM 36694 OH2 TIP3 549 53.375 42.235 61.709 1.00 0.00 WT3 O ATOM 36695 H1 TIP3 549 53.943 42.159 62.476 1.00 0.00 WT3 H ATOM 36696 H2 TIP3 549 53.637 43.058 61.296 1.00 0.00 WT3 H ATOM 36697 OH2 TIP3 550 51.592 67.544 15.217 1.00 0.00 WT3 O ATOM 36698 H1 TIP3 550 51.840 66.636 15.396 1.00 0.00 WT3 H ATOM 36699 H2 TIP3 550 51.978 68.044 15.936 1.00 0.00 WT3 H ATOM 36700 OH2 TIP3 551 46.740 53.936 43.143 1.00 0.00 WT3 O ATOM 36701 H1 TIP3 551 47.504 54.013 43.714 1.00 0.00 WT3 H ATOM 36702 H2 TIP3 551 46.578 54.829 42.838 1.00 0.00 WT3 H ATOM 36703 OH2 TIP3 552 47.732 70.959 -12.891 1.00 0.00 WT3 O ATOM 36704 H1 TIP3 552 47.777 70.059 -12.568 1.00 0.00 WT3 H ATOM 36705 H2 TIP3 552 46.823 71.221 -12.745 1.00 0.00 WT3 H ATOM 36706 OH2 TIP3 553 82.781 10.390 -13.898 1.00 0.00 WT3 O ATOM 36707 H1 TIP3 553 82.699 9.543 -14.337 1.00 0.00 WT3 H ATOM 36708 H2 TIP3 553 83.099 10.983 -14.579 1.00 0.00 WT3 H ATOM 36709 OH2 TIP3 554 62.188 71.214 -3.446 1.00 0.00 WT3 O ATOM 36710 H1 TIP3 554 61.457 71.812 -3.605 1.00 0.00 WT3 H ATOM 36711 H2 TIP3 554 61.914 70.697 -2.688 1.00 0.00 WT3 H ATOM 36712 OH2 TIP3 555 33.443 47.012 26.819 1.00 0.00 WT3 O ATOM 36713 H1 TIP3 555 34.042 46.958 26.074 1.00 0.00 WT3 H ATOM 36714 H2 TIP3 555 33.655 47.846 27.238 1.00 0.00 WT3 H ATOM 36715 OH2 TIP3 556 24.696 95.933 28.052 1.00 0.00 WT3 O ATOM 36716 H1 TIP3 556 24.899 95.022 28.261 1.00 0.00 WT3 H ATOM 36717 H2 TIP3 556 24.921 96.023 27.126 1.00 0.00 WT3 H ATOM 36718 OH2 TIP3 558 80.880 46.730 33.318 1.00 0.00 WT3 O ATOM 36719 H1 TIP3 558 81.253 46.940 34.174 1.00 0.00 WT3 H ATOM 36720 H2 TIP3 558 81.093 45.807 33.184 1.00 0.00 WT3 H ATOM 36721 OH2 TIP3 559 84.936 51.068 0.532 1.00 0.00 WT3 O ATOM 36722 H1 TIP3 559 84.718 50.201 0.874 1.00 0.00 WT3 H ATOM 36723 H2 TIP3 559 84.843 51.653 1.284 1.00 0.00 WT3 H ATOM 36724 OH2 TIP3 560 32.714 86.344 42.039 1.00 0.00 WT3 O ATOM 36725 H1 TIP3 560 33.398 85.690 41.894 1.00 0.00 WT3 H ATOM 36726 H2 TIP3 560 32.892 87.025 41.391 1.00 0.00 WT3 H ATOM 36727 OH2 TIP3 561 46.300 77.076 12.777 1.00 0.00 WT3 O ATOM 36728 H1 TIP3 561 45.628 76.395 12.820 1.00 0.00 WT3 H ATOM 36729 H2 TIP3 561 46.527 77.248 13.691 1.00 0.00 WT3 H ATOM 36730 OH2 TIP3 562 23.727 25.924 -10.930 1.00 0.00 WT3 O ATOM 36731 H1 TIP3 562 23.311 25.909 -11.792 1.00 0.00 WT3 H ATOM 36732 H2 TIP3 562 23.954 26.843 -10.789 1.00 0.00 WT3 H ATOM 36733 OH2 TIP3 563 47.969 87.416 1.694 1.00 0.00 WT3 O ATOM 36734 H1 TIP3 563 48.692 87.963 2.001 1.00 0.00 WT3 H ATOM 36735 H2 TIP3 563 48.362 86.845 1.035 1.00 0.00 WT3 H ATOM 36736 OH2 TIP3 564 50.456 86.696 14.181 1.00 0.00 WT3 O ATOM 36737 H1 TIP3 564 50.238 86.102 14.899 1.00 0.00 WT3 H ATOM 36738 H2 TIP3 564 51.326 86.416 13.894 1.00 0.00 WT3 H ATOM 36739 OH2 TIP3 565 20.309 3.581 -3.788 1.00 0.00 WT3 O ATOM 36740 H1 TIP3 565 20.459 4.154 -3.036 1.00 0.00 WT3 H ATOM 36741 H2 TIP3 565 21.151 3.150 -3.934 1.00 0.00 WT3 H ATOM 36742 OH2 TIP3 568 71.731 52.232 23.908 1.00 0.00 WT3 O ATOM 36743 H1 TIP3 568 70.915 52.609 23.579 1.00 0.00 WT3 H ATOM 36744 H2 TIP3 568 71.574 52.100 24.843 1.00 0.00 WT3 H ATOM 36745 OH2 TIP3 569 76.329 29.895 32.337 1.00 0.00 WT3 O ATOM 36746 H1 TIP3 569 76.816 30.543 31.829 1.00 0.00 WT3 H ATOM 36747 H2 TIP3 569 76.601 30.046 33.243 1.00 0.00 WT3 H ATOM 36748 OH2 TIP3 571 41.957 5.008 -10.048 1.00 0.00 WT3 O ATOM 36749 H1 TIP3 571 41.390 5.777 -10.107 1.00 0.00 WT3 H ATOM 36750 H2 TIP3 571 41.397 4.276 -10.305 1.00 0.00 WT3 H ATOM 36751 OH2 TIP3 572 38.391 93.096 42.266 1.00 0.00 WT3 O ATOM 36752 H1 TIP3 572 38.584 93.405 41.381 1.00 0.00 WT3 H ATOM 36753 H2 TIP3 572 39.111 92.500 42.474 1.00 0.00 WT3 H ATOM 36754 OH2 TIP3 573 54.313 89.362 29.545 1.00 0.00 WT3 O ATOM 36755 H1 TIP3 573 53.505 89.530 30.031 1.00 0.00 WT3 H ATOM 36756 H2 TIP3 573 54.082 89.526 28.631 1.00 0.00 WT3 H ATOM 36757 OH2 TIP3 574 50.189 16.830 31.362 1.00 0.00 WT3 O ATOM 36758 H1 TIP3 574 50.093 15.878 31.402 1.00 0.00 WT3 H ATOM 36759 H2 TIP3 574 50.621 16.992 30.523 1.00 0.00 WT3 H ATOM 36760 OH2 TIP3 575 86.434 68.886 19.112 1.00 0.00 WT3 O ATOM 36761 H1 TIP3 575 85.607 68.734 19.570 1.00 0.00 WT3 H ATOM 36762 H2 TIP3 575 86.794 68.011 18.970 1.00 0.00 WT3 H ATOM 36763 OH2 TIP3 576 50.916 94.512 18.719 1.00 0.00 WT3 O ATOM 36764 H1 TIP3 576 51.785 94.831 18.475 1.00 0.00 WT3 H ATOM 36765 H2 TIP3 576 50.423 95.302 18.940 1.00 0.00 WT3 H ATOM 36766 OH2 TIP3 577 58.158 36.753 59.728 1.00 0.00 WT3 O ATOM 36767 H1 TIP3 577 57.331 37.168 59.971 1.00 0.00 WT3 H ATOM 36768 H2 TIP3 577 58.503 37.300 59.022 1.00 0.00 WT3 H ATOM 36769 OH2 TIP3 578 26.223 68.755 52.528 1.00 0.00 WT3 O ATOM 36770 H1 TIP3 578 26.824 68.883 53.262 1.00 0.00 WT3 H ATOM 36771 H2 TIP3 578 26.770 68.862 51.749 1.00 0.00 WT3 H ATOM 36772 OH2 TIP3 579 38.434 67.527 -6.775 1.00 0.00 WT3 O ATOM 36773 H1 TIP3 579 37.733 67.437 -6.129 1.00 0.00 WT3 H ATOM 36774 H2 TIP3 579 38.218 66.888 -7.454 1.00 0.00 WT3 H ATOM 36775 OH2 TIP3 580 56.848 3.867 4.430 1.00 0.00 WT3 O ATOM 36776 H1 TIP3 580 56.851 4.445 5.194 1.00 0.00 WT3 H ATOM 36777 H2 TIP3 580 57.320 4.358 3.757 1.00 0.00 WT3 H ATOM 36778 OH2 TIP3 581 46.733 27.254 -19.759 1.00 0.00 WT3 O ATOM 36779 H1 TIP3 581 46.300 27.485 -18.937 1.00 0.00 WT3 H ATOM 36780 H2 TIP3 581 47.145 28.068 -20.049 1.00 0.00 WT3 H ATOM 36781 OH2 TIP3 582 70.736 11.758 54.916 1.00 0.00 WT3 O ATOM 36782 H1 TIP3 582 71.173 11.348 55.662 1.00 0.00 WT3 H ATOM 36783 H2 TIP3 582 69.819 11.824 55.181 1.00 0.00 WT3 H ATOM 36784 OH2 TIP3 583 87.613 2.511 -4.846 1.00 0.00 WT3 O ATOM 36785 H1 TIP3 583 87.093 1.944 -5.415 1.00 0.00 WT3 H ATOM 36786 H2 TIP3 583 86.965 3.002 -4.339 1.00 0.00 WT3 H ATOM 36787 OH2 TIP3 584 40.932 91.927 65.291 1.00 0.00 WT3 O ATOM 36788 H1 TIP3 584 41.841 92.167 65.467 1.00 0.00 WT3 H ATOM 36789 H2 TIP3 584 40.876 91.883 64.336 1.00 0.00 WT3 H ATOM 36790 OH2 TIP3 585 34.855 75.799 23.866 1.00 0.00 WT3 O ATOM 36791 H1 TIP3 585 34.946 76.717 23.610 1.00 0.00 WT3 H ATOM 36792 H2 TIP3 585 35.634 75.372 23.508 1.00 0.00 WT3 H ATOM 36793 OH2 TIP3 586 46.500 51.270 -17.586 1.00 0.00 WT3 O ATOM 36794 H1 TIP3 586 46.002 52.042 -17.318 1.00 0.00 WT3 H ATOM 36795 H2 TIP3 586 46.692 50.812 -16.768 1.00 0.00 WT3 H ATOM 36796 OH2 TIP3 587 42.141 70.827 17.889 1.00 0.00 WT3 O ATOM 36797 H1 TIP3 587 42.943 70.351 17.671 1.00 0.00 WT3 H ATOM 36798 H2 TIP3 587 41.433 70.242 17.620 1.00 0.00 WT3 H ATOM 36799 OH2 TIP3 590 30.235 68.502 49.616 1.00 0.00 WT3 O ATOM 36800 H1 TIP3 590 30.774 69.270 49.424 1.00 0.00 WT3 H ATOM 36801 H2 TIP3 590 30.711 67.770 49.224 1.00 0.00 WT3 H ATOM 36802 OH2 TIP3 591 36.673 20.999 -8.658 1.00 0.00 WT3 O ATOM 36803 H1 TIP3 591 36.458 20.393 -9.367 1.00 0.00 WT3 H ATOM 36804 H2 TIP3 591 36.840 21.832 -9.097 1.00 0.00 WT3 H ATOM 36805 OH2 TIP3 592 57.737 51.525 60.985 1.00 0.00 WT3 O ATOM 36806 H1 TIP3 592 57.187 51.056 60.357 1.00 0.00 WT3 H ATOM 36807 H2 TIP3 592 58.148 50.836 61.507 1.00 0.00 WT3 H ATOM 36808 OH2 TIP3 593 24.407 43.422 54.625 1.00 0.00 WT3 O ATOM 36809 H1 TIP3 593 24.509 44.330 54.340 1.00 0.00 WT3 H ATOM 36810 H2 TIP3 593 24.033 43.486 55.504 1.00 0.00 WT3 H ATOM 36811 OH2 TIP3 594 82.503 47.485 30.128 1.00 0.00 WT3 O ATOM 36812 H1 TIP3 594 81.563 47.651 30.206 1.00 0.00 WT3 H ATOM 36813 H2 TIP3 594 82.901 48.356 30.120 1.00 0.00 WT3 H ATOM 36814 OH2 TIP3 595 45.727 88.450 49.092 1.00 0.00 WT3 O ATOM 36815 H1 TIP3 595 45.636 88.277 48.155 1.00 0.00 WT3 H ATOM 36816 H2 TIP3 595 46.339 87.781 49.401 1.00 0.00 WT3 H ATOM 36817 OH2 TIP3 597 42.083 77.866 25.647 1.00 0.00 WT3 O ATOM 36818 H1 TIP3 597 41.727 76.980 25.575 1.00 0.00 WT3 H ATOM 36819 H2 TIP3 597 43.001 77.737 25.885 1.00 0.00 WT3 H ATOM 36820 OH2 TIP3 598 39.511 8.827 20.374 1.00 0.00 WT3 O ATOM 36821 H1 TIP3 598 39.238 9.616 19.906 1.00 0.00 WT3 H ATOM 36822 H2 TIP3 598 39.714 9.130 21.259 1.00 0.00 WT3 H ATOM 36823 OH2 TIP3 599 39.077 73.822 16.004 1.00 0.00 WT3 O ATOM 36824 H1 TIP3 599 39.220 74.674 15.593 1.00 0.00 WT3 H ATOM 36825 H2 TIP3 599 39.660 73.820 16.763 1.00 0.00 WT3 H ATOM 36826 OH2 TIP3 601 24.467 2.082 60.473 1.00 0.00 WT3 O ATOM 36827 H1 TIP3 601 25.407 2.221 60.358 1.00 0.00 WT3 H ATOM 36828 H2 TIP3 601 24.069 2.920 60.237 1.00 0.00 WT3 H ATOM 36829 OH2 TIP3 602 46.383 1.829 -5.262 1.00 0.00 WT3 O ATOM 36830 H1 TIP3 602 45.773 1.117 -5.456 1.00 0.00 WT3 H ATOM 36831 H2 TIP3 602 46.864 1.530 -4.490 1.00 0.00 WT3 H ATOM 36832 OH2 TIP3 603 37.315 15.458 58.046 1.00 0.00 WT3 O ATOM 36833 H1 TIP3 603 36.525 15.494 58.585 1.00 0.00 WT3 H ATOM 36834 H2 TIP3 603 37.180 16.128 57.376 1.00 0.00 WT3 H ATOM 36835 OH2 TIP3 604 80.998 19.858 59.499 1.00 0.00 WT3 O ATOM 36836 H1 TIP3 604 81.332 19.939 60.392 1.00 0.00 WT3 H ATOM 36837 H2 TIP3 604 81.629 19.291 59.056 1.00 0.00 WT3 H ATOM 36838 OH2 TIP3 605 86.849 48.285 55.058 1.00 0.00 WT3 O ATOM 36839 H1 TIP3 605 86.294 48.445 55.822 1.00 0.00 WT3 H ATOM 36840 H2 TIP3 605 86.999 49.153 54.684 1.00 0.00 WT3 H ATOM 36841 OH2 TIP3 606 20.949 53.531 53.499 1.00 0.00 WT3 O ATOM 36842 H1 TIP3 606 20.381 53.160 54.175 1.00 0.00 WT3 H ATOM 36843 H2 TIP3 606 20.991 54.464 53.707 1.00 0.00 WT3 H ATOM 36844 OH2 TIP3 607 76.961 65.303 42.546 1.00 0.00 WT3 O ATOM 36845 H1 TIP3 607 76.560 64.641 41.983 1.00 0.00 WT3 H ATOM 36846 H2 TIP3 607 76.435 65.287 43.346 1.00 0.00 WT3 H ATOM 36847 OH2 TIP3 609 23.628 77.763 55.456 1.00 0.00 WT3 O ATOM 36848 H1 TIP3 609 24.486 78.125 55.234 1.00 0.00 WT3 H ATOM 36849 H2 TIP3 609 23.699 76.832 55.244 1.00 0.00 WT3 H ATOM 36850 OH2 TIP3 612 78.736 9.644 58.988 1.00 0.00 WT3 O ATOM 36851 H1 TIP3 612 79.137 9.486 58.134 1.00 0.00 WT3 H ATOM 36852 H2 TIP3 612 78.404 8.788 59.260 1.00 0.00 WT3 H ATOM 36853 OH2 TIP3 613 21.856 5.169 -18.479 1.00 0.00 WT3 O ATOM 36854 H1 TIP3 613 21.583 4.378 -18.015 1.00 0.00 WT3 H ATOM 36855 H2 TIP3 613 22.360 4.848 -19.226 1.00 0.00 WT3 H ATOM 36856 OH2 TIP3 615 47.530 70.930 54.093 1.00 0.00 WT3 O ATOM 36857 H1 TIP3 615 47.992 70.094 54.043 1.00 0.00 WT3 H ATOM 36858 H2 TIP3 615 46.637 70.729 53.812 1.00 0.00 WT3 H ATOM 36859 OH2 TIP3 617 35.868 2.315 64.715 1.00 0.00 WT3 O ATOM 36860 H1 TIP3 617 35.742 2.841 65.505 1.00 0.00 WT3 H ATOM 36861 H2 TIP3 617 36.814 2.326 64.568 1.00 0.00 WT3 H ATOM 36862 OH2 TIP3 618 48.286 15.677 28.568 1.00 0.00 WT3 O ATOM 36863 H1 TIP3 618 47.751 16.412 28.269 1.00 0.00 WT3 H ATOM 36864 H2 TIP3 618 48.996 16.082 29.065 1.00 0.00 WT3 H ATOM 36865 OH2 TIP3 620 65.362 49.686 12.895 1.00 0.00 WT3 O ATOM 36866 H1 TIP3 620 64.543 50.013 12.524 1.00 0.00 WT3 H ATOM 36867 H2 TIP3 620 65.136 49.429 13.789 1.00 0.00 WT3 H ATOM 36868 OH2 TIP3 621 70.961 46.205 61.783 1.00 0.00 WT3 O ATOM 36869 H1 TIP3 621 70.583 47.004 62.150 1.00 0.00 WT3 H ATOM 36870 H2 TIP3 621 70.862 45.552 62.476 1.00 0.00 WT3 H ATOM 36871 OH2 TIP3 623 24.078 17.200 39.678 1.00 0.00 WT3 O ATOM 36872 H1 TIP3 623 24.914 16.837 39.386 1.00 0.00 WT3 H ATOM 36873 H2 TIP3 623 23.870 16.713 40.475 1.00 0.00 WT3 H ATOM 36874 OH2 TIP3 624 75.925 76.780 63.007 1.00 0.00 WT3 O ATOM 36875 H1 TIP3 624 76.843 76.728 63.273 1.00 0.00 WT3 H ATOM 36876 H2 TIP3 624 75.945 76.684 62.055 1.00 0.00 WT3 H ATOM 36877 OH2 TIP3 625 79.329 80.382 50.830 1.00 0.00 WT3 O ATOM 36878 H1 TIP3 625 79.358 80.508 49.882 1.00 0.00 WT3 H ATOM 36879 H2 TIP3 625 79.220 79.438 50.944 1.00 0.00 WT3 H ATOM 36880 OH2 TIP3 626 78.314 54.197 16.825 1.00 0.00 WT3 O ATOM 36881 H1 TIP3 626 78.318 53.276 17.086 1.00 0.00 WT3 H ATOM 36882 H2 TIP3 626 77.881 54.650 17.549 1.00 0.00 WT3 H ATOM 36883 OH2 TIP3 627 31.558 86.863 22.543 1.00 0.00 WT3 O ATOM 36884 H1 TIP3 627 31.810 85.941 22.605 1.00 0.00 WT3 H ATOM 36885 H2 TIP3 627 32.377 87.344 22.656 1.00 0.00 WT3 H ATOM 36886 OH2 TIP3 628 62.855 86.966 23.661 1.00 0.00 WT3 O ATOM 36887 H1 TIP3 628 63.178 87.855 23.513 1.00 0.00 WT3 H ATOM 36888 H2 TIP3 628 62.908 86.846 24.609 1.00 0.00 WT3 H ATOM 36889 OH2 TIP3 630 50.346 89.693 66.591 1.00 0.00 WT3 O ATOM 36890 H1 TIP3 630 51.211 89.498 66.231 1.00 0.00 WT3 H ATOM 36891 H2 TIP3 630 50.351 89.290 67.459 1.00 0.00 WT3 H ATOM 36892 OH2 TIP3 632 62.827 78.180 -16.947 1.00 0.00 WT3 O ATOM 36893 H1 TIP3 632 61.900 77.959 -17.031 1.00 0.00 WT3 H ATOM 36894 H2 TIP3 632 63.159 78.172 -17.845 1.00 0.00 WT3 H ATOM 36895 OH2 TIP3 634 32.505 54.278 11.531 1.00 0.00 WT3 O ATOM 36896 H1 TIP3 634 33.253 54.561 11.006 1.00 0.00 WT3 H ATOM 36897 H2 TIP3 634 32.866 54.136 12.406 1.00 0.00 WT3 H ATOM 36898 OH2 TIP3 635 29.412 51.709 5.761 1.00 0.00 WT3 O ATOM 36899 H1 TIP3 635 30.305 51.675 5.418 1.00 0.00 WT3 H ATOM 36900 H2 TIP3 635 29.282 52.627 6.000 1.00 0.00 WT3 H ATOM 36901 OH2 TIP3 638 58.912 13.993 19.220 1.00 0.00 WT3 O ATOM 36902 H1 TIP3 638 58.347 14.749 19.062 1.00 0.00 WT3 H ATOM 36903 H2 TIP3 638 59.741 14.370 19.515 1.00 0.00 WT3 H ATOM 36904 OH2 TIP3 639 86.158 35.601 -2.426 1.00 0.00 WT3 O ATOM 36905 H1 TIP3 639 85.534 36.271 -2.707 1.00 0.00 WT3 H ATOM 36906 H2 TIP3 639 86.898 36.095 -2.074 1.00 0.00 WT3 H ATOM 36907 OH2 TIP3 640 86.313 19.664 66.475 1.00 0.00 WT3 O ATOM 36908 H1 TIP3 640 86.319 18.999 67.163 1.00 0.00 WT3 H ATOM 36909 H2 TIP3 640 86.983 19.374 65.855 1.00 0.00 WT3 H ATOM 36910 OH2 TIP3 643 23.113 57.837 23.819 1.00 0.00 WT3 O ATOM 36911 H1 TIP3 643 23.104 58.660 24.307 1.00 0.00 WT3 H ATOM 36912 H2 TIP3 643 23.730 57.988 23.103 1.00 0.00 WT3 H ATOM 36913 OH2 TIP3 644 32.949 71.472 6.100 1.00 0.00 WT3 O ATOM 36914 H1 TIP3 644 32.729 71.793 6.975 1.00 0.00 WT3 H ATOM 36915 H2 TIP3 644 33.162 72.260 5.601 1.00 0.00 WT3 H ATOM 36916 OH2 TIP3 647 73.643 57.977 31.690 1.00 0.00 WT3 O ATOM 36917 H1 TIP3 647 72.936 58.609 31.819 1.00 0.00 WT3 H ATOM 36918 H2 TIP3 647 73.494 57.309 32.359 1.00 0.00 WT3 H ATOM 36919 OH2 TIP3 648 75.731 94.040 14.848 1.00 0.00 WT3 O ATOM 36920 H1 TIP3 648 76.428 93.521 14.445 1.00 0.00 WT3 H ATOM 36921 H2 TIP3 648 75.364 93.467 15.521 1.00 0.00 WT3 H ATOM 36922 OH2 TIP3 649 38.412 90.968 1.765 1.00 0.00 WT3 O ATOM 36923 H1 TIP3 649 38.443 91.354 2.641 1.00 0.00 WT3 H ATOM 36924 H2 TIP3 649 37.859 90.193 1.864 1.00 0.00 WT3 H ATOM 36925 OH2 TIP3 650 75.871 74.308 31.234 1.00 0.00 WT3 O ATOM 36926 H1 TIP3 650 76.356 73.790 30.591 1.00 0.00 WT3 H ATOM 36927 H2 TIP3 650 76.401 75.095 31.357 1.00 0.00 WT3 H ATOM 36928 OH2 TIP3 651 59.479 78.058 -17.423 1.00 0.00 WT3 O ATOM 36929 H1 TIP3 651 59.704 78.334 -18.312 1.00 0.00 WT3 H ATOM 36930 H2 TIP3 651 59.625 77.112 -17.421 1.00 0.00 WT3 H ATOM 36931 OH2 TIP3 655 53.523 51.345 54.544 1.00 0.00 WT3 O ATOM 36932 H1 TIP3 655 54.113 51.336 53.790 1.00 0.00 WT3 H ATOM 36933 H2 TIP3 655 52.683 51.045 54.195 1.00 0.00 WT3 H ATOM 36934 OH2 TIP3 656 37.173 21.151 -5.625 1.00 0.00 WT3 O ATOM 36935 H1 TIP3 656 36.875 20.837 -6.479 1.00 0.00 WT3 H ATOM 36936 H2 TIP3 656 38.083 21.411 -5.769 1.00 0.00 WT3 H ATOM 36937 OH2 TIP3 659 26.774 70.262 -8.841 1.00 0.00 WT3 O ATOM 36938 H1 TIP3 659 27.222 70.576 -8.056 1.00 0.00 WT3 H ATOM 36939 H2 TIP3 659 26.718 71.030 -9.409 1.00 0.00 WT3 H ATOM 36940 OH2 TIP3 660 89.782 72.722 5.745 1.00 0.00 WT3 O ATOM 36941 H1 TIP3 660 89.228 72.450 6.477 1.00 0.00 WT3 H ATOM 36942 H2 TIP3 660 90.480 73.236 6.151 1.00 0.00 WT3 H ATOM 36943 OH2 TIP3 662 60.075 13.727 -8.105 1.00 0.00 WT3 O ATOM 36944 H1 TIP3 662 60.807 13.265 -8.512 1.00 0.00 WT3 H ATOM 36945 H2 TIP3 662 59.705 13.095 -7.489 1.00 0.00 WT3 H ATOM 36946 OH2 TIP3 664 23.928 45.364 23.076 1.00 0.00 WT3 O ATOM 36947 H1 TIP3 664 23.919 44.845 22.272 1.00 0.00 WT3 H ATOM 36948 H2 TIP3 664 23.852 44.719 23.779 1.00 0.00 WT3 H ATOM 36949 OH2 TIP3 666 83.592 49.328 54.386 1.00 0.00 WT3 O ATOM 36950 H1 TIP3 666 82.936 49.983 54.622 1.00 0.00 WT3 H ATOM 36951 H2 TIP3 666 84.046 49.136 55.207 1.00 0.00 WT3 H ATOM 36952 OH2 TIP3 668 83.361 87.947 17.967 1.00 0.00 WT3 O ATOM 36953 H1 TIP3 668 82.695 87.394 17.558 1.00 0.00 WT3 H ATOM 36954 H2 TIP3 668 83.360 87.684 18.887 1.00 0.00 WT3 H ATOM 36955 OH2 TIP3 669 22.347 89.231 5.259 1.00 0.00 WT3 O ATOM 36956 H1 TIP3 669 22.024 89.194 6.160 1.00 0.00 WT3 H ATOM 36957 H2 TIP3 669 21.828 89.921 4.846 1.00 0.00 WT3 H ATOM 36958 OH2 TIP3 670 52.209 17.500 -7.543 1.00 0.00 WT3 O ATOM 36959 H1 TIP3 670 51.812 17.703 -6.697 1.00 0.00 WT3 H ATOM 36960 H2 TIP3 670 51.776 16.693 -7.824 1.00 0.00 WT3 H ATOM 36961 OH2 TIP3 679 23.648 12.757 -9.519 1.00 0.00 WT3 O ATOM 36962 H1 TIP3 679 23.013 13.472 -9.553 1.00 0.00 WT3 H ATOM 36963 H2 TIP3 679 24.463 13.173 -9.238 1.00 0.00 WT3 H ATOM 36964 OH2 TIP3 682 77.558 94.806 30.746 1.00 0.00 WT3 O ATOM 36965 H1 TIP3 682 76.974 95.550 30.889 1.00 0.00 WT3 H ATOM 36966 H2 TIP3 682 77.645 94.399 31.608 1.00 0.00 WT3 H ATOM 36967 OH2 TIP3 695 68.028 82.587 14.658 1.00 0.00 WT3 O ATOM 36968 H1 TIP3 695 67.915 82.713 15.600 1.00 0.00 WT3 H ATOM 36969 H2 TIP3 695 68.944 82.327 14.560 1.00 0.00 WT3 H ATOM 36970 OH2 TIP3 697 38.733 31.328 -3.027 1.00 0.00 WT3 O ATOM 36971 H1 TIP3 697 38.731 31.217 -2.077 1.00 0.00 WT3 H ATOM 36972 H2 TIP3 697 37.836 31.125 -3.294 1.00 0.00 WT3 H ATOM 36973 OH2 TIP3 711 46.145 79.180 51.755 1.00 0.00 WT3 O ATOM 36974 H1 TIP3 711 46.584 78.564 52.341 1.00 0.00 WT3 H ATOM 36975 H2 TIP3 711 46.322 78.842 50.877 1.00 0.00 WT3 H ATOM 36976 OH2 TIP3 713 35.392 60.908 35.968 1.00 0.00 WT3 O ATOM 36977 H1 TIP3 713 36.091 60.511 35.449 1.00 0.00 WT3 H ATOM 36978 H2 TIP3 713 35.125 61.677 35.463 1.00 0.00 WT3 H ATOM 36979 OH2 TIP3 758 53.495 22.655 -14.000 1.00 0.00 WT3 O ATOM 36980 H1 TIP3 758 53.057 23.072 -13.258 1.00 0.00 WT3 H ATOM 36981 H2 TIP3 758 53.911 23.378 -14.470 1.00 0.00 WT3 H ATOM 36982 OH2 TIP3 805 30.030 66.702 55.306 1.00 0.00 WT3 O ATOM 36983 H1 TIP3 805 30.441 65.908 54.966 1.00 0.00 WT3 H ATOM 36984 H2 TIP3 805 30.228 66.692 56.243 1.00 0.00 WT3 H ATOM 36985 OH2 TIP3 821 43.417 64.997 48.504 1.00 0.00 WT3 O ATOM 36986 H1 TIP3 821 43.391 65.951 48.425 1.00 0.00 WT3 H ATOM 36987 H2 TIP3 821 44.315 64.762 48.269 1.00 0.00 WT3 H ATOM 36988 OH2 TIP3 822 63.280 88.861 9.440 1.00 0.00 WT3 O ATOM 36989 H1 TIP3 822 62.839 88.097 9.069 1.00 0.00 WT3 H ATOM 36990 H2 TIP3 822 63.272 88.709 10.385 1.00 0.00 WT3 H ATOM 36991 OH2 TIP3 825 88.147 56.827 17.605 1.00 0.00 WT3 O ATOM 36992 H1 TIP3 825 88.245 55.883 17.475 1.00 0.00 WT3 H ATOM 36993 H2 TIP3 825 87.209 56.952 17.754 1.00 0.00 WT3 H ATOM 36994 OH2 TIP3 835 40.037 6.078 21.105 1.00 0.00 WT3 O ATOM 36995 H1 TIP3 835 40.056 7.001 20.851 1.00 0.00 WT3 H ATOM 36996 H2 TIP3 835 40.516 6.047 21.933 1.00 0.00 WT3 H ATOM 36997 OH2 TIP3 836 38.376 25.431 -10.798 1.00 0.00 WT3 O ATOM 36998 H1 TIP3 836 38.452 25.837 -9.935 1.00 0.00 WT3 H ATOM 36999 H2 TIP3 836 37.873 26.061 -11.316 1.00 0.00 WT3 H ATOM 37000 OH2 TIP3 848 79.086 25.180 27.423 1.00 0.00 WT3 O ATOM 37001 H1 TIP3 848 79.788 25.808 27.593 1.00 0.00 WT3 H ATOM 37002 H2 TIP3 848 79.540 24.365 27.210 1.00 0.00 WT3 H ATOM 37003 OH2 TIP3 849 28.221 80.302 12.379 1.00 0.00 WT3 O ATOM 37004 H1 TIP3 849 28.370 79.721 13.124 1.00 0.00 WT3 H ATOM 37005 H2 TIP3 849 27.424 80.781 12.603 1.00 0.00 WT3 H ATOM 37006 OH2 TIP3 852 67.504 12.177 58.864 1.00 0.00 WT3 O ATOM 37007 H1 TIP3 852 67.561 11.457 58.235 1.00 0.00 WT3 H ATOM 37008 H2 TIP3 852 66.976 11.827 59.581 1.00 0.00 WT3 H ATOM 37009 OH2 TIP3 854 23.187 70.483 1.088 1.00 0.00 WT3 O ATOM 37010 H1 TIP3 854 22.509 69.960 1.515 1.00 0.00 WT3 H ATOM 37011 H2 TIP3 854 23.173 71.320 1.552 1.00 0.00 WT3 H ATOM 37012 OH2 TIP3 855 38.930 91.204 39.536 1.00 0.00 WT3 O ATOM 37013 H1 TIP3 855 39.567 90.493 39.468 1.00 0.00 WT3 H ATOM 37014 H2 TIP3 855 38.446 91.016 40.340 1.00 0.00 WT3 H ATOM 37015 OH2 TIP3 858 86.472 41.810 3.560 1.00 0.00 WT3 O ATOM 37016 H1 TIP3 858 86.897 42.265 2.833 1.00 0.00 WT3 H ATOM 37017 H2 TIP3 858 85.686 42.326 3.740 1.00 0.00 WT3 H ATOM 37018 OH2 TIP3 860 25.232 87.029 53.733 1.00 0.00 WT3 O ATOM 37019 H1 TIP3 860 25.600 86.445 54.396 1.00 0.00 WT3 H ATOM 37020 H2 TIP3 860 25.884 87.038 53.032 1.00 0.00 WT3 H ATOM 37021 OH2 TIP3 866 70.593 10.070 -7.186 1.00 0.00 WT3 O ATOM 37022 H1 TIP3 866 71.509 10.335 -7.092 1.00 0.00 WT3 H ATOM 37023 H2 TIP3 866 70.101 10.733 -6.701 1.00 0.00 WT3 H ATOM 37024 OH2 TIP3 867 21.624 59.894 54.985 1.00 0.00 WT3 O ATOM 37025 H1 TIP3 867 20.698 59.660 55.052 1.00 0.00 WT3 H ATOM 37026 H2 TIP3 867 21.666 60.499 54.245 1.00 0.00 WT3 H ATOM 37027 OH2 TIP3 879 57.655 28.466 41.625 1.00 0.00 WT3 O ATOM 37028 H1 TIP3 879 57.114 29.018 41.060 1.00 0.00 WT3 H ATOM 37029 H2 TIP3 879 58.065 27.840 41.028 1.00 0.00 WT3 H ATOM 37030 OH2 TIP3 881 62.057 71.181 25.610 1.00 0.00 WT3 O ATOM 37031 H1 TIP3 881 61.674 70.658 26.315 1.00 0.00 WT3 H ATOM 37032 H2 TIP3 881 61.305 71.486 25.102 1.00 0.00 WT3 H ATOM 37033 OH2 TIP3 882 90.113 67.348 49.329 1.00 0.00 WT3 O ATOM 37034 H1 TIP3 882 89.669 67.618 48.525 1.00 0.00 WT3 H ATOM 37035 H2 TIP3 882 91.038 67.534 49.165 1.00 0.00 WT3 H ATOM 37036 OH2 TIP3 886 83.888 58.137 54.424 1.00 0.00 WT3 O ATOM 37037 H1 TIP3 886 83.923 57.319 54.919 1.00 0.00 WT3 H ATOM 37038 H2 TIP3 886 83.050 58.104 53.964 1.00 0.00 WT3 H ATOM 37039 OH2 TIP3 887 45.677 93.522 -1.614 1.00 0.00 WT3 O ATOM 37040 H1 TIP3 887 46.373 93.608 -2.266 1.00 0.00 WT3 H ATOM 37041 H2 TIP3 887 45.688 92.596 -1.372 1.00 0.00 WT3 H ATOM 37042 OH2 TIP3 889 47.509 37.112 11.455 1.00 0.00 WT3 O ATOM 37043 H1 TIP3 889 46.820 37.009 12.112 1.00 0.00 WT3 H ATOM 37044 H2 TIP3 889 48.307 36.821 11.897 1.00 0.00 WT3 H ATOM 37045 OH2 TIP3 890 57.774 66.824 30.556 1.00 0.00 WT3 O ATOM 37046 H1 TIP3 890 57.313 67.659 30.466 1.00 0.00 WT3 H ATOM 37047 H2 TIP3 890 57.157 66.172 30.224 1.00 0.00 WT3 H ATOM 37048 OH2 TIP3 891 37.349 86.687 21.913 1.00 0.00 WT3 O ATOM 37049 H1 TIP3 891 38.241 86.344 21.958 1.00 0.00 WT3 H ATOM 37050 H2 TIP3 891 37.350 87.260 21.147 1.00 0.00 WT3 H ATOM 37051 OH2 TIP3 894 88.022 81.326 51.529 1.00 0.00 WT3 O ATOM 37052 H1 TIP3 894 88.482 80.878 50.819 1.00 0.00 WT3 H ATOM 37053 H2 TIP3 894 88.696 81.484 52.190 1.00 0.00 WT3 H ATOM 37054 OH2 TIP3 895 84.330 40.008 23.492 1.00 0.00 WT3 O ATOM 37055 H1 TIP3 895 85.240 40.018 23.194 1.00 0.00 WT3 H ATOM 37056 H2 TIP3 895 83.835 39.679 22.742 1.00 0.00 WT3 H ATOM 37057 OH2 TIP3 896 36.983 81.598 30.581 1.00 0.00 WT3 O ATOM 37058 H1 TIP3 896 36.602 80.722 30.512 1.00 0.00 WT3 H ATOM 37059 H2 TIP3 896 36.323 82.177 30.199 1.00 0.00 WT3 H ATOM 37060 OH2 TIP3 897 41.573 37.619 43.502 1.00 0.00 WT3 O ATOM 37061 H1 TIP3 897 41.912 38.292 42.913 1.00 0.00 WT3 H ATOM 37062 H2 TIP3 897 42.211 36.907 43.448 1.00 0.00 WT3 H ATOM 37063 OH2 TIP3 899 48.860 84.012 54.655 1.00 0.00 WT3 O ATOM 37064 H1 TIP3 899 49.461 83.279 54.523 1.00 0.00 WT3 H ATOM 37065 H2 TIP3 899 48.865 84.158 55.601 1.00 0.00 WT3 H ATOM 37066 OH2 TIP3 903 37.498 70.594 -1.437 1.00 0.00 WT3 O ATOM 37067 H1 TIP3 903 37.658 71.017 -0.593 1.00 0.00 WT3 H ATOM 37068 H2 TIP3 903 37.215 69.708 -1.211 1.00 0.00 WT3 H ATOM 37069 OH2 TIP3 906 70.959 79.444 18.881 1.00 0.00 WT3 O ATOM 37070 H1 TIP3 906 71.047 78.746 18.232 1.00 0.00 WT3 H ATOM 37071 H2 TIP3 906 71.830 79.520 19.271 1.00 0.00 WT3 H ATOM 37072 OH2 TIP3 907 72.316 9.525 48.478 1.00 0.00 WT3 O ATOM 37073 H1 TIP3 907 73.179 9.523 48.066 1.00 0.00 WT3 H ATOM 37074 H2 TIP3 907 72.278 10.356 48.952 1.00 0.00 WT3 H ATOM 37075 OH2 TIP3 908 24.403 78.451 63.264 1.00 0.00 WT3 O ATOM 37076 H1 TIP3 908 24.922 79.111 63.724 1.00 0.00 WT3 H ATOM 37077 H2 TIP3 908 24.081 78.901 62.483 1.00 0.00 WT3 H ATOM 37078 OH2 TIP3 911 40.532 71.473 6.703 1.00 0.00 WT3 O ATOM 37079 H1 TIP3 911 41.408 71.094 6.625 1.00 0.00 WT3 H ATOM 37080 H2 TIP3 911 40.051 70.852 7.250 1.00 0.00 WT3 H ATOM 37081 OH2 TIP3 912 28.351 36.517 0.505 1.00 0.00 WT3 O ATOM 37082 H1 TIP3 912 28.202 37.390 0.868 1.00 0.00 WT3 H ATOM 37083 H2 TIP3 912 29.164 36.600 0.006 1.00 0.00 WT3 H ATOM 37084 OH2 TIP3 916 66.046 5.492 7.507 1.00 0.00 WT3 O ATOM 37085 H1 TIP3 916 66.748 6.002 7.103 1.00 0.00 WT3 H ATOM 37086 H2 TIP3 916 65.240 5.914 7.209 1.00 0.00 WT3 H ATOM 37087 OH2 TIP3 917 41.353 50.052 61.592 1.00 0.00 WT3 O ATOM 37088 H1 TIP3 917 41.988 50.722 61.845 1.00 0.00 WT3 H ATOM 37089 H2 TIP3 917 41.854 49.433 61.061 1.00 0.00 WT3 H ATOM 37090 OH2 TIP3 918 82.981 36.228 44.993 1.00 0.00 WT3 O ATOM 37091 H1 TIP3 918 83.212 37.136 45.189 1.00 0.00 WT3 H ATOM 37092 H2 TIP3 918 82.773 35.844 45.844 1.00 0.00 WT3 H ATOM 37093 OH2 TIP3 919 51.456 62.634 8.623 1.00 0.00 WT3 O ATOM 37094 H1 TIP3 919 51.458 63.551 8.897 1.00 0.00 WT3 H ATOM 37095 H2 TIP3 919 51.789 62.155 9.382 1.00 0.00 WT3 H ATOM 37096 OH2 TIP3 921 35.453 66.493 43.013 1.00 0.00 WT3 O ATOM 37097 H1 TIP3 921 35.473 66.517 42.056 1.00 0.00 WT3 H ATOM 37098 H2 TIP3 921 36.374 66.492 43.273 1.00 0.00 WT3 H ATOM 37099 OH2 TIP3 924 54.382 93.064 9.991 1.00 0.00 WT3 O ATOM 37100 H1 TIP3 924 53.437 93.052 9.834 1.00 0.00 WT3 H ATOM 37101 H2 TIP3 924 54.528 93.851 10.516 1.00 0.00 WT3 H ATOM 37102 OH2 TIP3 927 61.159 85.247 28.797 1.00 0.00 WT3 O ATOM 37103 H1 TIP3 927 61.009 86.161 29.039 1.00 0.00 WT3 H ATOM 37104 H2 TIP3 927 60.404 85.015 28.256 1.00 0.00 WT3 H ATOM 37105 OH2 TIP3 928 38.134 53.525 66.615 1.00 0.00 WT3 O ATOM 37106 H1 TIP3 928 38.988 53.307 66.987 1.00 0.00 WT3 H ATOM 37107 H2 TIP3 928 38.185 53.228 65.707 1.00 0.00 WT3 H ATOM 37108 OH2 TIP3 929 59.359 83.312 35.305 1.00 0.00 WT3 O ATOM 37109 H1 TIP3 929 59.285 83.669 34.420 1.00 0.00 WT3 H ATOM 37110 H2 TIP3 929 58.758 82.567 35.315 1.00 0.00 WT3 H ATOM 37111 OH2 TIP3 930 83.968 14.962 59.524 1.00 0.00 WT3 O ATOM 37112 H1 TIP3 930 84.486 15.537 60.087 1.00 0.00 WT3 H ATOM 37113 H2 TIP3 930 83.715 14.234 60.093 1.00 0.00 WT3 H ATOM 37114 OH2 TIP3 932 66.645 61.365 36.139 1.00 0.00 WT3 O ATOM 37115 H1 TIP3 932 66.783 61.943 35.389 1.00 0.00 WT3 H ATOM 37116 H2 TIP3 932 65.702 61.401 36.299 1.00 0.00 WT3 H ATOM 37117 OH2 TIP3 933 52.380 91.941 -19.255 1.00 0.00 WT3 O ATOM 37118 H1 TIP3 933 51.469 91.929 -18.961 1.00 0.00 WT3 H ATOM 37119 H2 TIP3 933 52.377 92.512 -20.023 1.00 0.00 WT3 H ATOM 37120 OH2 TIP3 936 21.001 49.329 59.583 1.00 0.00 WT3 O ATOM 37121 H1 TIP3 936 20.056 49.176 59.616 1.00 0.00 WT3 H ATOM 37122 H2 TIP3 936 21.156 50.017 60.230 1.00 0.00 WT3 H ATOM 37123 OH2 TIP3 937 83.938 5.131 7.558 1.00 0.00 WT3 O ATOM 37124 H1 TIP3 937 83.963 5.783 6.858 1.00 0.00 WT3 H ATOM 37125 H2 TIP3 937 84.858 4.957 7.757 1.00 0.00 WT3 H ATOM 37126 OH2 TIP3 938 35.108 76.003 49.079 1.00 0.00 WT3 O ATOM 37127 H1 TIP3 938 35.967 76.062 49.498 1.00 0.00 WT3 H ATOM 37128 H2 TIP3 938 35.066 75.108 48.742 1.00 0.00 WT3 H ATOM 37129 OH2 TIP3 939 49.065 50.911 -3.380 1.00 0.00 WT3 O ATOM 37130 H1 TIP3 939 48.714 50.891 -2.490 1.00 0.00 WT3 H ATOM 37131 H2 TIP3 939 49.871 50.396 -3.331 1.00 0.00 WT3 H ATOM 37132 OH2 TIP3 940 63.835 48.193 42.579 1.00 0.00 WT3 O ATOM 37133 H1 TIP3 940 62.984 48.306 42.156 1.00 0.00 WT3 H ATOM 37134 H2 TIP3 940 64.306 49.004 42.391 1.00 0.00 WT3 H ATOM 37135 OH2 TIP3 941 29.815 23.898 62.788 1.00 0.00 WT3 O ATOM 37136 H1 TIP3 941 30.528 23.276 62.931 1.00 0.00 WT3 H ATOM 37137 H2 TIP3 941 29.112 23.373 62.406 1.00 0.00 WT3 H ATOM 37138 OH2 TIP3 942 35.608 60.484 10.222 1.00 0.00 WT3 O ATOM 37139 H1 TIP3 942 35.298 61.340 9.924 1.00 0.00 WT3 H ATOM 37140 H2 TIP3 942 35.984 60.654 11.086 1.00 0.00 WT3 H ATOM 37141 OH2 TIP3 944 72.929 75.608 -13.689 1.00 0.00 WT3 O ATOM 37142 H1 TIP3 944 73.013 76.541 -13.495 1.00 0.00 WT3 H ATOM 37143 H2 TIP3 944 72.414 75.258 -12.962 1.00 0.00 WT3 H ATOM 37144 OH2 TIP3 946 24.424 23.028 20.476 1.00 0.00 WT3 O ATOM 37145 H1 TIP3 946 24.609 22.918 21.408 1.00 0.00 WT3 H ATOM 37146 H2 TIP3 946 23.856 22.290 20.255 1.00 0.00 WT3 H ATOM 37147 OH2 TIP3 947 40.339 95.093 8.941 1.00 0.00 WT3 O ATOM 37148 H1 TIP3 947 40.069 94.193 8.759 1.00 0.00 WT3 H ATOM 37149 H2 TIP3 947 41.191 95.180 8.513 1.00 0.00 WT3 H ATOM 37150 OH2 TIP3 948 54.524 68.034 65.257 1.00 0.00 WT3 O ATOM 37151 H1 TIP3 948 55.221 68.120 64.607 1.00 0.00 WT3 H ATOM 37152 H2 TIP3 948 53.872 67.472 64.838 1.00 0.00 WT3 H ATOM 37153 OH2 TIP3 949 34.858 60.876 45.756 1.00 0.00 WT3 O ATOM 37154 H1 TIP3 949 34.848 60.084 45.218 1.00 0.00 WT3 H ATOM 37155 H2 TIP3 949 35.756 60.932 46.082 1.00 0.00 WT3 H ATOM 37156 OH2 TIP3 950 33.008 29.959 4.227 1.00 0.00 WT3 O ATOM 37157 H1 TIP3 950 32.765 29.428 3.469 1.00 0.00 WT3 H ATOM 37158 H2 TIP3 950 32.945 30.863 3.918 1.00 0.00 WT3 H ATOM 37159 OH2 TIP3 951 33.289 38.648 -11.788 1.00 0.00 WT3 O ATOM 37160 H1 TIP3 951 33.090 37.730 -11.973 1.00 0.00 WT3 H ATOM 37161 H2 TIP3 951 34.115 38.811 -12.245 1.00 0.00 WT3 H ATOM 37162 OH2 TIP3 952 20.231 82.951 -16.578 1.00 0.00 WT3 O ATOM 37163 H1 TIP3 952 21.026 83.065 -16.058 1.00 0.00 WT3 H ATOM 37164 H2 TIP3 952 20.545 82.808 -17.471 1.00 0.00 WT3 H ATOM 37165 OH2 TIP3 953 77.852 23.087 -2.551 1.00 0.00 WT3 O ATOM 37166 H1 TIP3 953 77.669 22.414 -1.895 1.00 0.00 WT3 H ATOM 37167 H2 TIP3 953 77.464 22.748 -3.358 1.00 0.00 WT3 H ATOM 37168 OH2 TIP3 954 69.686 89.856 49.572 1.00 0.00 WT3 O ATOM 37169 H1 TIP3 954 70.095 89.279 50.217 1.00 0.00 WT3 H ATOM 37170 H2 TIP3 954 69.485 89.284 48.832 1.00 0.00 WT3 H ATOM 37171 OH2 TIP3 956 31.486 8.328 -15.787 1.00 0.00 WT3 O ATOM 37172 H1 TIP3 956 32.367 8.427 -15.424 1.00 0.00 WT3 H ATOM 37173 H2 TIP3 956 31.239 9.210 -16.062 1.00 0.00 WT3 H ATOM 37174 OH2 TIP3 957 43.737 60.701 -14.653 1.00 0.00 WT3 O ATOM 37175 H1 TIP3 957 44.268 61.494 -14.735 1.00 0.00 WT3 H ATOM 37176 H2 TIP3 957 42.879 60.950 -14.998 1.00 0.00 WT3 H ATOM 37177 OH2 TIP3 958 77.462 78.765 45.455 1.00 0.00 WT3 O ATOM 37178 H1 TIP3 958 78.388 78.815 45.215 1.00 0.00 WT3 H ATOM 37179 H2 TIP3 958 77.022 78.482 44.653 1.00 0.00 WT3 H ATOM 37180 OH2 TIP3 959 49.635 74.845 43.274 1.00 0.00 WT3 O ATOM 37181 H1 TIP3 959 48.956 74.979 42.614 1.00 0.00 WT3 H ATOM 37182 H2 TIP3 959 49.462 73.971 43.623 1.00 0.00 WT3 H ATOM 37183 OH2 TIP3 960 59.430 27.092 65.166 1.00 0.00 WT3 O ATOM 37184 H1 TIP3 960 59.192 27.613 64.399 1.00 0.00 WT3 H ATOM 37185 H2 TIP3 960 60.380 27.186 65.235 1.00 0.00 WT3 H ATOM 37186 OH2 TIP3 961 67.925 10.772 56.693 1.00 0.00 WT3 O ATOM 37187 H1 TIP3 961 67.571 10.543 55.834 1.00 0.00 WT3 H ATOM 37188 H2 TIP3 961 68.247 11.667 56.589 1.00 0.00 WT3 H ATOM 37189 OH2 TIP3 962 72.184 35.116 -0.012 1.00 0.00 WT3 O ATOM 37190 H1 TIP3 962 71.321 35.194 -0.420 1.00 0.00 WT3 H ATOM 37191 H2 TIP3 962 72.016 34.681 0.823 1.00 0.00 WT3 H ATOM 37192 OH2 TIP3 963 60.081 39.506 -4.748 1.00 0.00 WT3 O ATOM 37193 H1 TIP3 963 59.799 38.840 -4.121 1.00 0.00 WT3 H ATOM 37194 H2 TIP3 963 59.530 40.265 -4.556 1.00 0.00 WT3 H ATOM 37195 OH2 TIP3 964 85.905 43.614 -11.245 1.00 0.00 WT3 O ATOM 37196 H1 TIP3 964 85.379 44.404 -11.119 1.00 0.00 WT3 H ATOM 37197 H2 TIP3 964 85.501 43.173 -11.992 1.00 0.00 WT3 H ATOM 37198 OH2 TIP3 965 55.159 14.861 38.334 1.00 0.00 WT3 O ATOM 37199 H1 TIP3 965 54.529 15.578 38.406 1.00 0.00 WT3 H ATOM 37200 H2 TIP3 965 54.646 14.122 38.007 1.00 0.00 WT3 H ATOM 37201 OH2 TIP3 966 64.713 24.820 -13.092 1.00 0.00 WT3 O ATOM 37202 H1 TIP3 966 64.297 24.017 -12.778 1.00 0.00 WT3 H ATOM 37203 H2 TIP3 966 64.349 25.511 -12.540 1.00 0.00 WT3 H ATOM 37204 OH2 TIP3 967 36.771 41.880 60.798 1.00 0.00 WT3 O ATOM 37205 H1 TIP3 967 36.322 41.343 61.451 1.00 0.00 WT3 H ATOM 37206 H2 TIP3 967 36.535 42.780 61.024 1.00 0.00 WT3 H ATOM 37207 OH2 TIP3 970 83.543 73.476 37.782 1.00 0.00 WT3 O ATOM 37208 H1 TIP3 970 84.345 73.190 38.219 1.00 0.00 WT3 H ATOM 37209 H2 TIP3 970 83.327 74.310 38.199 1.00 0.00 WT3 H ATOM 37210 OH2 TIP3 971 69.552 53.422 22.952 1.00 0.00 WT3 O ATOM 37211 H1 TIP3 971 69.355 54.358 22.932 1.00 0.00 WT3 H ATOM 37212 H2 TIP3 971 69.000 53.046 22.267 1.00 0.00 WT3 H ATOM 37213 OH2 TIP3 972 58.333 94.973 15.725 1.00 0.00 WT3 O ATOM 37214 H1 TIP3 972 57.695 94.355 16.080 1.00 0.00 WT3 H ATOM 37215 H2 TIP3 972 57.803 95.669 15.336 1.00 0.00 WT3 H ATOM 37216 OH2 TIP3 973 79.900 82.759 -3.757 1.00 0.00 WT3 O ATOM 37217 H1 TIP3 973 80.062 81.918 -3.329 1.00 0.00 WT3 H ATOM 37218 H2 TIP3 973 79.388 83.257 -3.121 1.00 0.00 WT3 H ATOM 37219 OH2 TIP3 974 89.995 42.203 -6.699 1.00 0.00 WT3 O ATOM 37220 H1 TIP3 974 89.174 41.937 -7.112 1.00 0.00 WT3 H ATOM 37221 H2 TIP3 974 89.946 43.158 -6.659 1.00 0.00 WT3 H ATOM 37222 OH2 TIP3 975 72.535 92.036 29.021 1.00 0.00 WT3 O ATOM 37223 H1 TIP3 975 71.861 91.575 28.522 1.00 0.00 WT3 H ATOM 37224 H2 TIP3 975 72.215 92.025 29.923 1.00 0.00 WT3 H ATOM 37225 OH2 TIP3 976 31.914 85.346 19.281 1.00 0.00 WT3 O ATOM 37226 H1 TIP3 976 31.987 85.368 20.236 1.00 0.00 WT3 H ATOM 37227 H2 TIP3 976 31.808 84.418 19.071 1.00 0.00 WT3 H ATOM 37228 OH2 TIP3 977 51.196 60.248 45.375 1.00 0.00 WT3 O ATOM 37229 H1 TIP3 977 50.513 60.533 44.768 1.00 0.00 WT3 H ATOM 37230 H2 TIP3 977 52.016 60.451 44.926 1.00 0.00 WT3 H ATOM 37231 OH2 TIP3 978 27.266 66.181 -5.514 1.00 0.00 WT3 O ATOM 37232 H1 TIP3 978 26.647 66.899 -5.383 1.00 0.00 WT3 H ATOM 37233 H2 TIP3 978 27.151 65.621 -4.747 1.00 0.00 WT3 H ATOM 37234 OH2 TIP3 979 47.954 48.043 40.701 1.00 0.00 WT3 O ATOM 37235 H1 TIP3 979 47.735 48.362 39.826 1.00 0.00 WT3 H ATOM 37236 H2 TIP3 979 47.396 47.276 40.824 1.00 0.00 WT3 H ATOM 37237 OH2 TIP3 980 25.757 46.960 42.144 1.00 0.00 WT3 O ATOM 37238 H1 TIP3 980 26.281 46.198 42.392 1.00 0.00 WT3 H ATOM 37239 H2 TIP3 980 26.010 47.639 42.769 1.00 0.00 WT3 H ATOM 37240 OH2 TIP3 982 53.889 86.791 19.904 1.00 0.00 WT3 O ATOM 37241 H1 TIP3 982 54.828 86.628 19.990 1.00 0.00 WT3 H ATOM 37242 H2 TIP3 982 53.817 87.742 19.822 1.00 0.00 WT3 H ATOM 37243 OH2 TIP3 983 49.181 84.909 -17.652 1.00 0.00 WT3 O ATOM 37244 H1 TIP3 983 48.998 84.478 -16.817 1.00 0.00 WT3 H ATOM 37245 H2 TIP3 983 48.410 84.728 -18.190 1.00 0.00 WT3 H ATOM 37246 OH2 TIP3 984 46.067 69.744 49.400 1.00 0.00 WT3 O ATOM 37247 H1 TIP3 984 46.167 68.811 49.210 1.00 0.00 WT3 H ATOM 37248 H2 TIP3 984 45.155 69.938 49.182 1.00 0.00 WT3 H ATOM 37249 OH2 TIP3 985 41.529 58.756 9.032 1.00 0.00 WT3 O ATOM 37250 H1 TIP3 985 41.775 58.858 9.951 1.00 0.00 WT3 H ATOM 37251 H2 TIP3 985 42.315 59.002 8.544 1.00 0.00 WT3 H ATOM 37252 OH2 TIP3 986 41.349 26.347 32.509 1.00 0.00 WT3 O ATOM 37253 H1 TIP3 986 41.784 26.304 33.360 1.00 0.00 WT3 H ATOM 37254 H2 TIP3 986 42.061 26.290 31.872 1.00 0.00 WT3 H ATOM 37255 OH2 TIP3 988 80.203 92.195 -16.538 1.00 0.00 WT3 O ATOM 37256 H1 TIP3 988 80.637 92.773 -17.166 1.00 0.00 WT3 H ATOM 37257 H2 TIP3 988 80.918 91.807 -16.034 1.00 0.00 WT3 H ATOM 37258 OH2 TIP3 992 89.383 11.370 3.303 1.00 0.00 WT3 O ATOM 37259 H1 TIP3 992 89.135 12.235 3.629 1.00 0.00 WT3 H ATOM 37260 H2 TIP3 992 88.724 10.779 3.666 1.00 0.00 WT3 H ATOM 37261 OH2 TIP3 993 72.014 40.334 3.800 1.00 0.00 WT3 O ATOM 37262 H1 TIP3 993 72.132 39.575 4.372 1.00 0.00 WT3 H ATOM 37263 H2 TIP3 993 71.067 40.469 3.772 1.00 0.00 WT3 H ATOM 37264 OH2 TIP3 994 42.305 76.215 8.817 1.00 0.00 WT3 O ATOM 37265 H1 TIP3 994 42.509 75.288 8.946 1.00 0.00 WT3 H ATOM 37266 H2 TIP3 994 41.629 76.405 9.467 1.00 0.00 WT3 H ATOM 37267 OH2 TIP3 995 80.211 31.876 -12.373 1.00 0.00 WT3 O ATOM 37268 H1 TIP3 995 79.856 31.057 -12.027 1.00 0.00 WT3 H ATOM 37269 H2 TIP3 995 80.095 31.807 -13.321 1.00 0.00 WT3 H ATOM 37270 OH2 TIP3 996 32.624 71.760 -7.881 1.00 0.00 WT3 O ATOM 37271 H1 TIP3 996 32.448 72.167 -7.032 1.00 0.00 WT3 H ATOM 37272 H2 TIP3 996 32.088 70.967 -7.883 1.00 0.00 WT3 H ATOM 37273 OH2 TIP3 997 37.946 48.958 60.491 1.00 0.00 WT3 O ATOM 37274 H1 TIP3 997 37.649 49.353 59.672 1.00 0.00 WT3 H ATOM 37275 H2 TIP3 997 37.878 48.015 60.342 1.00 0.00 WT3 H ATOM 37276 OH2 TIP3 998 45.043 87.777 26.137 1.00 0.00 WT3 O ATOM 37277 H1 TIP3 998 45.736 87.584 25.506 1.00 0.00 WT3 H ATOM 37278 H2 TIP3 998 45.114 88.718 26.293 1.00 0.00 WT3 H ATOM 37279 OH2 TIP3 999 27.578 20.812 63.143 1.00 0.00 WT3 O ATOM 37280 H1 TIP3 999 27.896 21.523 62.587 1.00 0.00 WT3 H ATOM 37281 H2 TIP3 999 26.762 20.530 62.729 1.00 0.00 WT3 H ATOM 37282 OH2 TIP3 1000 29.135 71.882 11.520 1.00 0.00 WT3 O ATOM 37283 H1 TIP3 1000 29.939 71.516 11.888 1.00 0.00 WT3 H ATOM 37284 H2 TIP3 1000 28.559 71.126 11.402 1.00 0.00 WT3 H ATOM 37285 OH2 TIP3 1001 70.274 27.079 35.304 1.00 0.00 WT3 O ATOM 37286 H1 TIP3 1001 70.363 27.190 36.250 1.00 0.00 WT3 H ATOM 37287 H2 TIP3 1001 70.317 27.968 34.953 1.00 0.00 WT3 H ATOM 37288 OH2 TIP3 1002 21.642 49.092 50.574 1.00 0.00 WT3 O ATOM 37289 H1 TIP3 1002 21.005 48.958 49.872 1.00 0.00 WT3 H ATOM 37290 H2 TIP3 1002 21.445 49.964 50.914 1.00 0.00 WT3 H ATOM 37291 OH2 TIP3 1003 68.903 42.841 31.423 1.00 0.00 WT3 O ATOM 37292 H1 TIP3 1003 68.396 42.293 30.823 1.00 0.00 WT3 H ATOM 37293 H2 TIP3 1003 69.186 43.583 30.889 1.00 0.00 WT3 H ATOM 37294 OH2 TIP3 1004 50.684 91.536 22.986 1.00 0.00 WT3 O ATOM 37295 H1 TIP3 1004 50.081 90.809 22.832 1.00 0.00 WT3 H ATOM 37296 H2 TIP3 1004 50.988 91.410 23.885 1.00 0.00 WT3 H ATOM 37297 OH2 TIP3 1005 64.442 69.484 65.090 1.00 0.00 WT3 O ATOM 37298 H1 TIP3 1005 64.089 69.959 64.338 1.00 0.00 WT3 H ATOM 37299 H2 TIP3 1005 63.916 69.784 65.832 1.00 0.00 WT3 H ATOM 37300 OH2 TIP3 1006 61.281 0.371 -5.087 1.00 0.00 WT3 O ATOM 37301 H1 TIP3 1006 60.841 0.097 -4.282 1.00 0.00 WT3 H ATOM 37302 H2 TIP3 1006 62.191 0.514 -4.827 1.00 0.00 WT3 H ATOM 37303 OH2 TIP3 1007 27.485 32.768 40.576 1.00 0.00 WT3 O ATOM 37304 H1 TIP3 1007 26.583 32.784 40.256 1.00 0.00 WT3 H ATOM 37305 H2 TIP3 1007 27.977 32.325 39.884 1.00 0.00 WT3 H ATOM 37306 OH2 TIP3 1009 78.782 25.695 16.845 1.00 0.00 WT3 O ATOM 37307 H1 TIP3 1009 79.541 25.842 17.410 1.00 0.00 WT3 H ATOM 37308 H2 TIP3 1009 79.062 26.003 15.983 1.00 0.00 WT3 H ATOM 37309 OH2 TIP3 1010 80.738 84.485 51.240 1.00 0.00 WT3 O ATOM 37310 H1 TIP3 1010 80.879 83.632 51.652 1.00 0.00 WT3 H ATOM 37311 H2 TIP3 1010 80.840 84.318 50.303 1.00 0.00 WT3 H ATOM 37312 OH2 TIP3 1011 83.883 83.353 3.281 1.00 0.00 WT3 O ATOM 37313 H1 TIP3 1011 83.451 83.921 3.920 1.00 0.00 WT3 H ATOM 37314 H2 TIP3 1011 83.644 82.466 3.549 1.00 0.00 WT3 H ATOM 37315 OH2 TIP3 1012 75.264 69.805 47.933 1.00 0.00 WT3 O ATOM 37316 H1 TIP3 1012 74.718 70.553 47.692 1.00 0.00 WT3 H ATOM 37317 H2 TIP3 1012 75.646 69.510 47.107 1.00 0.00 WT3 H ATOM 37318 OH2 TIP3 1013 70.988 66.081 40.756 1.00 0.00 WT3 O ATOM 37319 H1 TIP3 1013 70.078 66.354 40.639 1.00 0.00 WT3 H ATOM 37320 H2 TIP3 1013 71.494 66.888 40.669 1.00 0.00 WT3 H ATOM 37321 OH2 TIP3 1014 65.284 52.133 29.706 1.00 0.00 WT3 O ATOM 37322 H1 TIP3 1014 65.292 51.691 28.857 1.00 0.00 WT3 H ATOM 37323 H2 TIP3 1014 64.596 52.794 29.625 1.00 0.00 WT3 H ATOM 37324 OH2 TIP3 1015 55.613 47.568 47.809 1.00 0.00 WT3 O ATOM 37325 H1 TIP3 1015 55.423 46.861 48.426 1.00 0.00 WT3 H ATOM 37326 H2 TIP3 1015 56.251 47.192 47.204 1.00 0.00 WT3 H ATOM 37327 OH2 TIP3 1017 55.386 20.856 -17.870 1.00 0.00 WT3 O ATOM 37328 H1 TIP3 1017 54.505 20.870 -18.244 1.00 0.00 WT3 H ATOM 37329 H2 TIP3 1017 55.249 20.681 -16.939 1.00 0.00 WT3 H ATOM 37330 OH2 TIP3 1018 60.044 11.224 0.735 1.00 0.00 WT3 O ATOM 37331 H1 TIP3 1018 59.470 11.688 1.344 1.00 0.00 WT3 H ATOM 37332 H2 TIP3 1018 60.835 11.761 0.695 1.00 0.00 WT3 H ATOM 37333 OH2 TIP3 1020 51.686 29.419 3.449 1.00 0.00 WT3 O ATOM 37334 H1 TIP3 1020 52.488 29.610 3.936 1.00 0.00 WT3 H ATOM 37335 H2 TIP3 1020 51.434 28.541 3.736 1.00 0.00 WT3 H ATOM 37336 OH2 TIP3 1022 43.833 15.363 -18.921 1.00 0.00 WT3 O ATOM 37337 H1 TIP3 1022 44.783 15.444 -18.995 1.00 0.00 WT3 H ATOM 37338 H2 TIP3 1022 43.677 14.422 -18.846 1.00 0.00 WT3 H ATOM 37339 OH2 TIP3 1023 39.743 36.703 -15.125 1.00 0.00 WT3 O ATOM 37340 H1 TIP3 1023 40.587 36.895 -14.716 1.00 0.00 WT3 H ATOM 37341 H2 TIP3 1023 39.849 36.979 -16.035 1.00 0.00 WT3 H ATOM 37342 OH2 TIP3 1025 31.068 73.111 -18.326 1.00 0.00 WT3 O ATOM 37343 H1 TIP3 1025 31.460 73.981 -18.253 1.00 0.00 WT3 H ATOM 37344 H2 TIP3 1025 30.228 73.187 -17.873 1.00 0.00 WT3 H ATOM 37345 OH2 TIP3 1026 42.685 88.760 14.414 1.00 0.00 WT3 O ATOM 37346 H1 TIP3 1026 43.400 88.421 13.874 1.00 0.00 WT3 H ATOM 37347 H2 TIP3 1026 41.906 88.665 13.867 1.00 0.00 WT3 H ATOM 37348 OH2 TIP3 1027 35.977 59.969 -19.496 1.00 0.00 WT3 O ATOM 37349 H1 TIP3 1027 36.768 59.450 -19.354 1.00 0.00 WT3 H ATOM 37350 H2 TIP3 1027 35.551 59.996 -18.639 1.00 0.00 WT3 H ATOM 37351 OH2 TIP3 1028 37.661 57.835 -19.741 1.00 0.00 WT3 O ATOM 37352 H1 TIP3 1028 38.400 57.429 -19.289 1.00 0.00 WT3 H ATOM 37353 H2 TIP3 1028 37.043 57.118 -19.883 1.00 0.00 WT3 H ATOM 37354 OH2 TIP3 1029 47.708 11.013 53.529 1.00 0.00 WT3 O ATOM 37355 H1 TIP3 1029 46.822 11.240 53.245 1.00 0.00 WT3 H ATOM 37356 H2 TIP3 1029 48.280 11.410 52.873 1.00 0.00 WT3 H ATOM 37357 OH2 TIP3 1030 28.995 74.246 53.694 1.00 0.00 WT3 O ATOM 37358 H1 TIP3 1030 28.870 74.625 54.564 1.00 0.00 WT3 H ATOM 37359 H2 TIP3 1030 28.949 74.994 53.098 1.00 0.00 WT3 H ATOM 37360 OH2 TIP3 1031 38.687 81.535 16.731 1.00 0.00 WT3 O ATOM 37361 H1 TIP3 1031 39.194 81.764 17.510 1.00 0.00 WT3 H ATOM 37362 H2 TIP3 1031 37.817 81.318 17.066 1.00 0.00 WT3 H ATOM 37363 OH2 TIP3 1032 27.368 38.834 35.132 1.00 0.00 WT3 O ATOM 37364 H1 TIP3 1032 27.868 39.607 34.869 1.00 0.00 WT3 H ATOM 37365 H2 TIP3 1032 26.844 38.613 34.362 1.00 0.00 WT3 H ATOM 37366 OH2 TIP3 1033 88.254 73.709 36.114 1.00 0.00 WT3 O ATOM 37367 H1 TIP3 1033 88.127 72.813 36.425 1.00 0.00 WT3 H ATOM 37368 H2 TIP3 1033 87.413 73.951 35.727 1.00 0.00 WT3 H ATOM 37369 OH2 TIP3 1035 62.026 66.049 -12.007 1.00 0.00 WT3 O ATOM 37370 H1 TIP3 1035 62.366 65.290 -11.533 1.00 0.00 WT3 H ATOM 37371 H2 TIP3 1035 62.219 65.863 -12.926 1.00 0.00 WT3 H ATOM 37372 OH2 TIP3 1036 89.691 61.470 35.314 1.00 0.00 WT3 O ATOM 37373 H1 TIP3 1036 89.432 61.609 36.225 1.00 0.00 WT3 H ATOM 37374 H2 TIP3 1036 90.266 60.705 35.342 1.00 0.00 WT3 H ATOM 37375 OH2 TIP3 1040 56.963 37.604 2.197 1.00 0.00 WT3 O ATOM 37376 H1 TIP3 1040 57.321 38.217 2.840 1.00 0.00 WT3 H ATOM 37377 H2 TIP3 1040 56.204 37.216 2.633 1.00 0.00 WT3 H ATOM 37378 OH2 TIP3 1041 30.317 12.872 27.515 1.00 0.00 WT3 O ATOM 37379 H1 TIP3 1041 30.373 13.781 27.810 1.00 0.00 WT3 H ATOM 37380 H2 TIP3 1041 30.310 12.929 26.560 1.00 0.00 WT3 H ATOM 37381 OH2 TIP3 1042 79.176 59.298 17.126 1.00 0.00 WT3 O ATOM 37382 H1 TIP3 1042 78.367 58.941 16.760 1.00 0.00 WT3 H ATOM 37383 H2 TIP3 1042 79.816 59.219 16.418 1.00 0.00 WT3 H ATOM 37384 OH2 TIP3 1043 43.460 81.912 17.201 1.00 0.00 WT3 O ATOM 37385 H1 TIP3 1043 43.857 81.364 17.879 1.00 0.00 WT3 H ATOM 37386 H2 TIP3 1043 42.755 81.374 16.841 1.00 0.00 WT3 H ATOM 37387 OH2 TIP3 1044 83.771 70.614 34.371 1.00 0.00 WT3 O ATOM 37388 H1 TIP3 1044 82.833 70.696 34.541 1.00 0.00 WT3 H ATOM 37389 H2 TIP3 1044 83.831 70.444 33.431 1.00 0.00 WT3 H ATOM 37390 OH2 TIP3 1045 60.262 80.796 46.641 1.00 0.00 WT3 O ATOM 37391 H1 TIP3 1045 60.143 81.645 46.215 1.00 0.00 WT3 H ATOM 37392 H2 TIP3 1045 61.209 80.715 46.754 1.00 0.00 WT3 H ATOM 37393 OH2 TIP3 1046 44.632 47.986 -4.351 1.00 0.00 WT3 O ATOM 37394 H1 TIP3 1046 45.371 48.591 -4.412 1.00 0.00 WT3 H ATOM 37395 H2 TIP3 1046 44.346 48.047 -3.439 1.00 0.00 WT3 H ATOM 37396 OH2 TIP3 1047 72.873 71.741 57.378 1.00 0.00 WT3 O ATOM 37397 H1 TIP3 1047 72.214 71.790 56.685 1.00 0.00 WT3 H ATOM 37398 H2 TIP3 1047 72.736 72.534 57.896 1.00 0.00 WT3 H ATOM 37399 OH2 TIP3 1048 23.183 56.254 -13.878 1.00 0.00 WT3 O ATOM 37400 H1 TIP3 1048 22.596 56.553 -14.573 1.00 0.00 WT3 H ATOM 37401 H2 TIP3 1048 23.999 56.038 -14.331 1.00 0.00 WT3 H ATOM 37402 OH2 TIP3 1050 57.462 17.618 23.022 1.00 0.00 WT3 O ATOM 37403 H1 TIP3 1050 57.306 18.481 23.405 1.00 0.00 WT3 H ATOM 37404 H2 TIP3 1050 58.385 17.630 22.770 1.00 0.00 WT3 H ATOM 37405 OH2 TIP3 1051 82.396 61.350 39.248 1.00 0.00 WT3 O ATOM 37406 H1 TIP3 1051 81.928 62.148 39.494 1.00 0.00 WT3 H ATOM 37407 H2 TIP3 1051 81.727 60.794 38.848 1.00 0.00 WT3 H ATOM 37408 OH2 TIP3 1052 84.704 80.508 23.618 1.00 0.00 WT3 O ATOM 37409 H1 TIP3 1052 84.137 80.944 24.253 1.00 0.00 WT3 H ATOM 37410 H2 TIP3 1052 85.253 79.927 24.144 1.00 0.00 WT3 H ATOM 37411 OH2 TIP3 1053 82.953 34.584 16.157 1.00 0.00 WT3 O ATOM 37412 H1 TIP3 1053 82.729 34.996 15.323 1.00 0.00 WT3 H ATOM 37413 H2 TIP3 1053 83.904 34.476 16.123 1.00 0.00 WT3 H ATOM 37414 OH2 TIP3 1054 51.241 94.082 57.254 1.00 0.00 WT3 O ATOM 37415 H1 TIP3 1054 50.521 93.451 57.271 1.00 0.00 WT3 H ATOM 37416 H2 TIP3 1054 50.951 94.791 57.829 1.00 0.00 WT3 H ATOM 37417 OH2 TIP3 1055 31.031 16.082 15.738 1.00 0.00 WT3 O ATOM 37418 H1 TIP3 1055 31.017 16.604 14.936 1.00 0.00 WT3 H ATOM 37419 H2 TIP3 1055 30.383 16.498 16.307 1.00 0.00 WT3 H ATOM 37420 OH2 TIP3 1058 27.013 71.203 24.063 1.00 0.00 WT3 O ATOM 37421 H1 TIP3 1058 27.855 70.915 24.416 1.00 0.00 WT3 H ATOM 37422 H2 TIP3 1058 27.107 71.114 23.115 1.00 0.00 WT3 H ATOM 37423 OH2 TIP3 1059 68.169 36.478 -2.925 1.00 0.00 WT3 O ATOM 37424 H1 TIP3 1059 68.706 36.823 -2.212 1.00 0.00 WT3 H ATOM 37425 H2 TIP3 1059 67.279 36.465 -2.571 1.00 0.00 WT3 H ATOM 37426 OH2 TIP3 1060 62.649 38.700 -5.847 1.00 0.00 WT3 O ATOM 37427 H1 TIP3 1060 62.993 37.938 -5.381 1.00 0.00 WT3 H ATOM 37428 H2 TIP3 1060 61.924 39.007 -5.303 1.00 0.00 WT3 H ATOM 37429 OH2 TIP3 1061 64.381 14.480 15.745 1.00 0.00 WT3 O ATOM 37430 H1 TIP3 1061 64.738 13.982 16.481 1.00 0.00 WT3 H ATOM 37431 H2 TIP3 1061 63.783 13.871 15.312 1.00 0.00 WT3 H ATOM 37432 OH2 TIP3 1062 78.592 91.483 61.848 1.00 0.00 WT3 O ATOM 37433 H1 TIP3 1062 79.361 91.994 62.098 1.00 0.00 WT3 H ATOM 37434 H2 TIP3 1062 78.113 91.354 62.667 1.00 0.00 WT3 H ATOM 37435 OH2 TIP3 1063 67.752 50.315 -5.555 1.00 0.00 WT3 O ATOM 37436 H1 TIP3 1063 68.325 50.418 -6.315 1.00 0.00 WT3 H ATOM 37437 H2 TIP3 1063 67.909 51.099 -5.028 1.00 0.00 WT3 H ATOM 37438 OH2 TIP3 1067 77.015 89.853 49.937 1.00 0.00 WT3 O ATOM 37439 H1 TIP3 1067 77.269 90.175 49.072 1.00 0.00 WT3 H ATOM 37440 H2 TIP3 1067 77.734 90.117 50.511 1.00 0.00 WT3 H ATOM 37441 OH2 TIP3 1068 88.149 40.472 -14.990 1.00 0.00 WT3 O ATOM 37442 H1 TIP3 1068 88.891 40.135 -15.492 1.00 0.00 WT3 H ATOM 37443 H2 TIP3 1068 88.414 40.376 -14.076 1.00 0.00 WT3 H ATOM 37444 OH2 TIP3 1069 46.112 8.000 53.181 1.00 0.00 WT3 O ATOM 37445 H1 TIP3 1069 45.867 7.075 53.207 1.00 0.00 WT3 H ATOM 37446 H2 TIP3 1069 46.945 8.015 52.710 1.00 0.00 WT3 H ATOM 37447 OH2 TIP3 1070 71.785 71.320 6.246 1.00 0.00 WT3 O ATOM 37448 H1 TIP3 1070 71.248 71.894 6.792 1.00 0.00 WT3 H ATOM 37449 H2 TIP3 1070 71.158 70.870 5.681 1.00 0.00 WT3 H ATOM 37450 OH2 TIP3 1071 45.860 76.070 46.022 1.00 0.00 WT3 O ATOM 37451 H1 TIP3 1071 45.042 76.501 46.271 1.00 0.00 WT3 H ATOM 37452 H2 TIP3 1071 45.635 75.559 45.245 1.00 0.00 WT3 H ATOM 37453 OH2 TIP3 1074 23.048 78.684 -17.120 1.00 0.00 WT3 O ATOM 37454 H1 TIP3 1074 22.430 78.994 -16.457 1.00 0.00 WT3 H ATOM 37455 H2 TIP3 1074 23.715 78.211 -16.623 1.00 0.00 WT3 H ATOM 37456 OH2 TIP3 1076 48.600 38.298 58.657 1.00 0.00 WT3 O ATOM 37457 H1 TIP3 1076 48.283 38.739 57.869 1.00 0.00 WT3 H ATOM 37458 H2 TIP3 1076 49.461 38.684 58.817 1.00 0.00 WT3 H ATOM 37459 OH2 TIP3 1079 21.716 83.593 2.957 1.00 0.00 WT3 O ATOM 37460 H1 TIP3 1079 21.966 83.416 2.050 1.00 0.00 WT3 H ATOM 37461 H2 TIP3 1079 20.926 83.072 3.094 1.00 0.00 WT3 H ATOM 37462 OH2 TIP3 1080 29.718 73.863 34.696 1.00 0.00 WT3 O ATOM 37463 H1 TIP3 1080 30.453 74.155 34.157 1.00 0.00 WT3 H ATOM 37464 H2 TIP3 1080 30.003 74.023 35.596 1.00 0.00 WT3 H ATOM 37465 OH2 TIP3 1082 23.777 80.281 -1.419 1.00 0.00 WT3 O ATOM 37466 H1 TIP3 1082 23.292 79.459 -1.338 1.00 0.00 WT3 H ATOM 37467 H2 TIP3 1082 24.369 80.138 -2.158 1.00 0.00 WT3 H ATOM 37468 OH2 TIP3 1084 70.678 94.603 33.897 1.00 0.00 WT3 O ATOM 37469 H1 TIP3 1084 70.963 93.701 34.046 1.00 0.00 WT3 H ATOM 37470 H2 TIP3 1084 69.723 94.563 33.941 1.00 0.00 WT3 H ATOM 37471 OH2 TIP3 1085 55.600 84.563 47.935 1.00 0.00 WT3 O ATOM 37472 H1 TIP3 1085 55.282 85.462 47.845 1.00 0.00 WT3 H ATOM 37473 H2 TIP3 1085 55.444 84.166 47.078 1.00 0.00 WT3 H ATOM 37474 OH2 TIP3 1086 83.996 85.432 0.381 1.00 0.00 WT3 O ATOM 37475 H1 TIP3 1086 83.921 86.231 -0.140 1.00 0.00 WT3 H ATOM 37476 H2 TIP3 1086 84.865 85.090 0.172 1.00 0.00 WT3 H ATOM 37477 OH2 TIP3 1087 76.777 85.841 55.964 1.00 0.00 WT3 O ATOM 37478 H1 TIP3 1087 75.824 85.755 55.927 1.00 0.00 WT3 H ATOM 37479 H2 TIP3 1087 77.103 85.128 55.416 1.00 0.00 WT3 H ATOM 37480 OH2 TIP3 1088 89.098 89.183 -19.128 1.00 0.00 WT3 O ATOM 37481 H1 TIP3 1088 88.588 88.934 -18.357 1.00 0.00 WT3 H ATOM 37482 H2 TIP3 1088 89.943 89.463 -18.777 1.00 0.00 WT3 H ATOM 37483 OH2 TIP3 1090 28.319 77.550 20.172 1.00 0.00 WT3 O ATOM 37484 H1 TIP3 1090 27.457 77.667 19.773 1.00 0.00 WT3 H ATOM 37485 H2 TIP3 1090 28.801 77.007 19.548 1.00 0.00 WT3 H ATOM 37486 OH2 TIP3 1094 71.730 44.590 65.367 1.00 0.00 WT3 O ATOM 37487 H1 TIP3 1094 71.704 45.540 65.254 1.00 0.00 WT3 H ATOM 37488 H2 TIP3 1094 70.941 44.387 65.870 1.00 0.00 WT3 H ATOM 37489 OH2 TIP3 1096 63.646 66.859 -8.459 1.00 0.00 WT3 O ATOM 37490 H1 TIP3 1096 63.751 65.942 -8.206 1.00 0.00 WT3 H ATOM 37491 H2 TIP3 1096 63.236 66.824 -9.323 1.00 0.00 WT3 H ATOM 37492 OH2 TIP3 1098 55.377 64.396 -5.407 1.00 0.00 WT3 O ATOM 37493 H1 TIP3 1098 55.242 64.908 -4.609 1.00 0.00 WT3 H ATOM 37494 H2 TIP3 1098 55.327 63.485 -5.119 1.00 0.00 WT3 H ATOM 37495 OH2 TIP3 1100 53.907 92.797 30.179 1.00 0.00 WT3 O ATOM 37496 H1 TIP3 1100 54.627 92.178 30.057 1.00 0.00 WT3 H ATOM 37497 H2 TIP3 1100 54.080 93.494 29.546 1.00 0.00 WT3 H ATOM 37498 OH2 TIP3 1102 40.854 71.388 -7.080 1.00 0.00 WT3 O ATOM 37499 H1 TIP3 1102 40.340 71.724 -6.346 1.00 0.00 WT3 H ATOM 37500 H2 TIP3 1102 41.129 70.515 -6.801 1.00 0.00 WT3 H ATOM 37501 OH2 TIP3 1103 53.288 86.024 7.013 1.00 0.00 WT3 O ATOM 37502 H1 TIP3 1103 52.855 85.213 7.279 1.00 0.00 WT3 H ATOM 37503 H2 TIP3 1103 52.685 86.424 6.387 1.00 0.00 WT3 H ATOM 37504 OH2 TIP3 1107 63.786 82.834 -1.414 1.00 0.00 WT3 O ATOM 37505 H1 TIP3 1107 63.804 81.947 -1.056 1.00 0.00 WT3 H ATOM 37506 H2 TIP3 1107 64.530 83.274 -1.002 1.00 0.00 WT3 H ATOM 37507 OH2 TIP3 1108 88.349 48.845 44.679 1.00 0.00 WT3 O ATOM 37508 H1 TIP3 1108 87.808 49.634 44.666 1.00 0.00 WT3 H ATOM 37509 H2 TIP3 1108 88.399 48.573 43.762 1.00 0.00 WT3 H ATOM 37510 OH2 TIP3 1112 69.295 2.580 45.763 1.00 0.00 WT3 O ATOM 37511 H1 TIP3 1112 69.632 1.752 45.421 1.00 0.00 WT3 H ATOM 37512 H2 TIP3 1112 69.581 2.597 46.676 1.00 0.00 WT3 H ATOM 37513 OH2 TIP3 1115 35.773 65.250 57.179 1.00 0.00 WT3 O ATOM 37514 H1 TIP3 1115 35.124 64.554 57.278 1.00 0.00 WT3 H ATOM 37515 H2 TIP3 1115 35.650 65.568 56.284 1.00 0.00 WT3 H ATOM 37516 OH2 TIP3 1117 41.742 5.288 54.603 1.00 0.00 WT3 O ATOM 37517 H1 TIP3 1117 41.158 4.533 54.662 1.00 0.00 WT3 H ATOM 37518 H2 TIP3 1117 42.204 5.171 53.772 1.00 0.00 WT3 H ATOM 37519 OH2 TIP3 1118 76.551 76.936 7.132 1.00 0.00 WT3 O ATOM 37520 H1 TIP3 1118 77.189 76.748 7.821 1.00 0.00 WT3 H ATOM 37521 H2 TIP3 1118 76.062 76.119 7.028 1.00 0.00 WT3 H ATOM 37522 OH2 TIP3 1119 69.588 89.916 -16.946 1.00 0.00 WT3 O ATOM 37523 H1 TIP3 1119 70.245 90.540 -16.636 1.00 0.00 WT3 H ATOM 37524 H2 TIP3 1119 69.246 89.513 -16.148 1.00 0.00 WT3 H ATOM 37525 OH2 TIP3 1120 71.500 33.551 2.262 1.00 0.00 WT3 O ATOM 37526 H1 TIP3 1120 70.986 32.806 2.573 1.00 0.00 WT3 H ATOM 37527 H2 TIP3 1120 71.179 34.294 2.773 1.00 0.00 WT3 H ATOM 37528 OH2 TIP3 1122 67.048 54.225 -9.368 1.00 0.00 WT3 O ATOM 37529 H1 TIP3 1122 67.962 53.944 -9.331 1.00 0.00 WT3 H ATOM 37530 H2 TIP3 1122 66.810 54.146 -10.292 1.00 0.00 WT3 H ATOM 37531 OH2 TIP3 1124 20.282 47.473 52.530 1.00 0.00 WT3 O ATOM 37532 H1 TIP3 1124 20.871 46.783 52.834 1.00 0.00 WT3 H ATOM 37533 H2 TIP3 1124 20.858 48.120 52.124 1.00 0.00 WT3 H ATOM 37534 OH2 TIP3 1127 43.430 74.991 49.560 1.00 0.00 WT3 O ATOM 37535 H1 TIP3 1127 44.291 75.408 49.507 1.00 0.00 WT3 H ATOM 37536 H2 TIP3 1127 43.593 74.075 49.335 1.00 0.00 WT3 H ATOM 37537 OH2 TIP3 1129 47.756 8.866 -5.578 1.00 0.00 WT3 O ATOM 37538 H1 TIP3 1129 48.270 8.823 -4.771 1.00 0.00 WT3 H ATOM 37539 H2 TIP3 1129 46.951 9.318 -5.325 1.00 0.00 WT3 H ATOM 37540 OH2 TIP3 1131 72.959 59.020 48.336 1.00 0.00 WT3 O ATOM 37541 H1 TIP3 1131 73.128 59.649 49.038 1.00 0.00 WT3 H ATOM 37542 H2 TIP3 1131 72.007 58.923 48.325 1.00 0.00 WT3 H ATOM 37543 OH2 TIP3 1137 69.572 96.761 -6.393 1.00 0.00 WT3 O ATOM 37544 H1 TIP3 1137 70.340 96.957 -6.930 1.00 0.00 WT3 H ATOM 37545 H2 TIP3 1137 69.832 96.001 -5.872 1.00 0.00 WT3 H ATOM 37546 OH2 TIP3 1145 68.882 73.062 12.925 1.00 0.00 WT3 O ATOM 37547 H1 TIP3 1145 68.058 73.121 13.407 1.00 0.00 WT3 H ATOM 37548 H2 TIP3 1145 68.662 72.574 12.132 1.00 0.00 WT3 H ATOM 37549 OH2 TIP3 1147 27.216 79.717 2.335 1.00 0.00 WT3 O ATOM 37550 H1 TIP3 1147 27.089 80.608 2.662 1.00 0.00 WT3 H ATOM 37551 H2 TIP3 1147 26.337 79.422 2.097 1.00 0.00 WT3 H ATOM 37552 OH2 TIP3 1148 20.845 36.868 11.248 1.00 0.00 WT3 O ATOM 37553 H1 TIP3 1148 20.643 37.745 10.922 1.00 0.00 WT3 H ATOM 37554 H2 TIP3 1148 20.272 36.288 10.747 1.00 0.00 WT3 H ATOM 37555 OH2 TIP3 1151 72.193 85.891 19.158 1.00 0.00 WT3 O ATOM 37556 H1 TIP3 1151 71.634 85.907 18.381 1.00 0.00 WT3 H ATOM 37557 H2 TIP3 1151 71.582 85.830 19.892 1.00 0.00 WT3 H ATOM 37558 OH2 TIP3 1164 82.208 31.770 54.193 1.00 0.00 WT3 O ATOM 37559 H1 TIP3 1164 83.012 31.435 53.795 1.00 0.00 WT3 H ATOM 37560 H2 TIP3 1164 82.133 32.666 53.864 1.00 0.00 WT3 H ATOM 37561 OH2 TIP3 1165 87.206 1.414 35.358 1.00 0.00 WT3 O ATOM 37562 H1 TIP3 1165 86.837 2.022 34.718 1.00 0.00 WT3 H ATOM 37563 H2 TIP3 1165 86.512 0.772 35.507 1.00 0.00 WT3 H ATOM 37564 OH2 TIP3 1186 53.122 74.768 29.177 1.00 0.00 WT3 O ATOM 37565 H1 TIP3 1186 53.119 73.900 29.581 1.00 0.00 WT3 H ATOM 37566 H2 TIP3 1186 53.330 74.604 28.257 1.00 0.00 WT3 H ATOM 37567 OH2 TIP3 1190 30.314 89.112 23.631 1.00 0.00 WT3 O ATOM 37568 H1 TIP3 1190 30.600 89.647 24.371 1.00 0.00 WT3 H ATOM 37569 H2 TIP3 1190 30.912 88.365 23.630 1.00 0.00 WT3 H ATOM 37570 OH2 TIP3 1201 45.256 41.513 1.824 1.00 0.00 WT3 O ATOM 37571 H1 TIP3 1201 45.099 40.589 2.019 1.00 0.00 WT3 H ATOM 37572 H2 TIP3 1201 44.997 41.974 2.622 1.00 0.00 WT3 H ATOM 37573 OH2 TIP3 1253 32.843 79.172 8.301 1.00 0.00 WT3 O ATOM 37574 H1 TIP3 1253 32.849 79.383 9.235 1.00 0.00 WT3 H ATOM 37575 H2 TIP3 1253 33.395 78.394 8.227 1.00 0.00 WT3 H ATOM 37576 OH2 TIP3 1272 57.086 36.290 63.813 1.00 0.00 WT3 O ATOM 37577 H1 TIP3 1272 56.865 37.189 63.569 1.00 0.00 WT3 H ATOM 37578 H2 TIP3 1272 57.265 35.852 62.981 1.00 0.00 WT3 H ATOM 37579 OH2 TIP3 1274 45.663 82.596 33.990 1.00 0.00 WT3 O ATOM 37580 H1 TIP3 1274 45.759 82.278 33.093 1.00 0.00 WT3 H ATOM 37581 H2 TIP3 1274 45.456 81.814 34.501 1.00 0.00 WT3 H ATOM 37582 OH2 TIP3 1297 31.099 81.742 26.022 1.00 0.00 WT3 O ATOM 37583 H1 TIP3 1297 30.409 81.261 25.565 1.00 0.00 WT3 H ATOM 37584 H2 TIP3 1297 31.789 81.094 26.166 1.00 0.00 WT3 H ATOM 37585 OH2 TIP3 1298 87.636 85.744 64.526 1.00 0.00 WT3 O ATOM 37586 H1 TIP3 1298 88.125 84.937 64.363 1.00 0.00 WT3 H ATOM 37587 H2 TIP3 1298 86.947 85.746 63.862 1.00 0.00 WT3 H ATOM 37588 OH2 TIP3 1301 39.972 12.494 58.671 1.00 0.00 WT3 O ATOM 37589 H1 TIP3 1301 39.639 11.665 59.013 1.00 0.00 WT3 H ATOM 37590 H2 TIP3 1301 40.921 12.435 58.780 1.00 0.00 WT3 H ATOM 37591 OH2 TIP3 1305 22.336 94.378 58.270 1.00 0.00 WT3 O ATOM 37592 H1 TIP3 1305 21.519 94.711 57.898 1.00 0.00 WT3 H ATOM 37593 H2 TIP3 1305 22.864 95.160 58.428 1.00 0.00 WT3 H ATOM 37594 OH2 TIP3 1307 85.751 29.853 -12.092 1.00 0.00 WT3 O ATOM 37595 H1 TIP3 1307 84.873 29.926 -12.464 1.00 0.00 WT3 H ATOM 37596 H2 TIP3 1307 86.335 29.873 -12.850 1.00 0.00 WT3 H ATOM 37597 OH2 TIP3 1308 52.040 96.386 34.398 1.00 0.00 WT3 O ATOM 37598 H1 TIP3 1308 52.006 97.249 33.984 1.00 0.00 WT3 H ATOM 37599 H2 TIP3 1308 51.643 95.797 33.756 1.00 0.00 WT3 H ATOM 37600 OH2 TIP3 1311 22.922 66.691 -8.487 1.00 0.00 WT3 O ATOM 37601 H1 TIP3 1311 23.168 66.118 -9.213 1.00 0.00 WT3 H ATOM 37602 H2 TIP3 1311 23.702 67.222 -8.325 1.00 0.00 WT3 H ATOM 37603 OH2 TIP3 1313 39.419 59.103 38.652 1.00 0.00 WT3 O ATOM 37604 H1 TIP3 1313 38.988 59.955 38.583 1.00 0.00 WT3 H ATOM 37605 H2 TIP3 1313 40.271 59.296 39.044 1.00 0.00 WT3 H ATOM 37606 OH2 TIP3 1317 45.087 83.522 42.466 1.00 0.00 WT3 O ATOM 37607 H1 TIP3 1317 45.762 83.735 43.111 1.00 0.00 WT3 H ATOM 37608 H2 TIP3 1317 45.482 83.744 41.623 1.00 0.00 WT3 H ATOM 37609 OH2 TIP3 1321 47.269 83.717 44.181 1.00 0.00 WT3 O ATOM 37610 H1 TIP3 1321 47.757 83.011 43.756 1.00 0.00 WT3 H ATOM 37611 H2 TIP3 1321 47.943 84.277 44.565 1.00 0.00 WT3 H ATOM 37612 OH2 TIP3 1322 41.423 20.015 -9.845 1.00 0.00 WT3 O ATOM 37613 H1 TIP3 1322 42.219 20.482 -9.590 1.00 0.00 WT3 H ATOM 37614 H2 TIP3 1322 41.215 20.354 -10.716 1.00 0.00 WT3 H ATOM 37615 OH2 TIP3 1326 85.528 72.115 -11.135 1.00 0.00 WT3 O ATOM 37616 H1 TIP3 1326 86.064 71.780 -10.416 1.00 0.00 WT3 H ATOM 37617 H2 TIP3 1326 86.030 71.912 -11.924 1.00 0.00 WT3 H ATOM 37618 OH2 TIP3 1327 64.845 12.800 17.894 1.00 0.00 WT3 O ATOM 37619 H1 TIP3 1327 64.632 13.043 18.795 1.00 0.00 WT3 H ATOM 37620 H2 TIP3 1327 65.277 11.950 17.970 1.00 0.00 WT3 H ATOM 37621 OH2 TIP3 1328 65.412 53.138 40.487 1.00 0.00 WT3 O ATOM 37622 H1 TIP3 1328 65.968 53.807 40.087 1.00 0.00 WT3 H ATOM 37623 H2 TIP3 1328 64.799 52.889 39.795 1.00 0.00 WT3 H ATOM 37624 OH2 TIP3 1329 65.747 52.302 53.371 1.00 0.00 WT3 O ATOM 37625 H1 TIP3 1329 66.663 52.062 53.508 1.00 0.00 WT3 H ATOM 37626 H2 TIP3 1329 65.772 53.236 53.162 1.00 0.00 WT3 H ATOM 37627 OH2 TIP3 1330 74.821 94.459 51.767 1.00 0.00 WT3 O ATOM 37628 H1 TIP3 1330 74.276 94.217 52.516 1.00 0.00 WT3 H ATOM 37629 H2 TIP3 1330 75.156 93.627 51.435 1.00 0.00 WT3 H ATOM 37630 OH2 TIP3 1331 52.911 89.209 18.574 1.00 0.00 WT3 O ATOM 37631 H1 TIP3 1331 52.540 88.445 18.134 1.00 0.00 WT3 H ATOM 37632 H2 TIP3 1331 52.195 89.548 19.111 1.00 0.00 WT3 H ATOM 37633 OH2 TIP3 1332 47.481 10.378 48.560 1.00 0.00 WT3 O ATOM 37634 H1 TIP3 1332 48.154 10.773 49.114 1.00 0.00 WT3 H ATOM 37635 H2 TIP3 1332 47.449 10.937 47.784 1.00 0.00 WT3 H ATOM 37636 OH2 TIP3 1333 32.281 62.154 10.146 1.00 0.00 WT3 O ATOM 37637 H1 TIP3 1333 33.115 62.373 9.729 1.00 0.00 WT3 H ATOM 37638 H2 TIP3 1333 31.903 63.001 10.385 1.00 0.00 WT3 H ATOM 37639 OH2 TIP3 1337 70.826 48.618 7.643 1.00 0.00 WT3 O ATOM 37640 H1 TIP3 1337 70.373 48.838 8.457 1.00 0.00 WT3 H ATOM 37641 H2 TIP3 1337 70.196 48.090 7.153 1.00 0.00 WT3 H ATOM 37642 OH2 TIP3 1339 44.961 46.352 53.550 1.00 0.00 WT3 O ATOM 37643 H1 TIP3 1339 44.111 46.786 53.627 1.00 0.00 WT3 H ATOM 37644 H2 TIP3 1339 45.496 46.747 54.238 1.00 0.00 WT3 H ATOM 37645 OH2 TIP3 1340 73.783 44.905 19.391 1.00 0.00 WT3 O ATOM 37646 H1 TIP3 1340 73.872 43.955 19.319 1.00 0.00 WT3 H ATOM 37647 H2 TIP3 1340 73.005 45.113 18.872 1.00 0.00 WT3 H ATOM 37648 OH2 TIP3 1341 77.912 58.106 -0.809 1.00 0.00 WT3 O ATOM 37649 H1 TIP3 1341 78.190 58.728 -0.136 1.00 0.00 WT3 H ATOM 37650 H2 TIP3 1341 77.289 58.596 -1.346 1.00 0.00 WT3 H ATOM 37651 OH2 TIP3 1342 61.442 32.567 37.171 1.00 0.00 WT3 O ATOM 37652 H1 TIP3 1342 61.714 31.930 36.510 1.00 0.00 WT3 H ATOM 37653 H2 TIP3 1342 60.590 32.879 36.867 1.00 0.00 WT3 H ATOM 37654 OH2 TIP3 1343 48.078 67.483 30.320 1.00 0.00 WT3 O ATOM 37655 H1 TIP3 1343 47.852 66.728 29.777 1.00 0.00 WT3 H ATOM 37656 H2 TIP3 1343 48.467 67.103 31.109 1.00 0.00 WT3 H ATOM 37657 OH2 TIP3 1344 87.710 91.024 3.336 1.00 0.00 WT3 O ATOM 37658 H1 TIP3 1344 87.937 90.951 4.263 1.00 0.00 WT3 H ATOM 37659 H2 TIP3 1344 87.145 91.795 3.287 1.00 0.00 WT3 H ATOM 37660 OH2 TIP3 1346 32.843 52.649 31.375 1.00 0.00 WT3 O ATOM 37661 H1 TIP3 1346 33.068 53.231 32.102 1.00 0.00 WT3 H ATOM 37662 H2 TIP3 1346 32.429 53.222 30.729 1.00 0.00 WT3 H ATOM 37663 OH2 TIP3 1347 62.891 17.070 -11.380 1.00 0.00 WT3 O ATOM 37664 H1 TIP3 1347 63.161 17.866 -10.922 1.00 0.00 WT3 H ATOM 37665 H2 TIP3 1347 63.317 17.129 -12.236 1.00 0.00 WT3 H ATOM 37666 OH2 TIP3 1348 90.502 90.929 60.240 1.00 0.00 WT3 O ATOM 37667 H1 TIP3 1348 89.870 90.210 60.225 1.00 0.00 WT3 H ATOM 37668 H2 TIP3 1348 90.905 90.876 61.107 1.00 0.00 WT3 H ATOM 37669 OH2 TIP3 1349 38.299 60.693 61.708 1.00 0.00 WT3 O ATOM 37670 H1 TIP3 1349 38.857 59.915 61.704 1.00 0.00 WT3 H ATOM 37671 H2 TIP3 1349 38.483 61.124 60.873 1.00 0.00 WT3 H ATOM 37672 OH2 TIP3 1351 36.593 61.586 57.724 1.00 0.00 WT3 O ATOM 37673 H1 TIP3 1351 35.940 61.087 57.232 1.00 0.00 WT3 H ATOM 37674 H2 TIP3 1351 37.118 62.021 57.052 1.00 0.00 WT3 H ATOM 37675 OH2 TIP3 1352 72.073 90.040 14.139 1.00 0.00 WT3 O ATOM 37676 H1 TIP3 1352 72.123 90.551 14.947 1.00 0.00 WT3 H ATOM 37677 H2 TIP3 1352 71.672 89.212 14.404 1.00 0.00 WT3 H ATOM 37678 OH2 TIP3 1354 79.057 7.973 -1.883 1.00 0.00 WT3 O ATOM 37679 H1 TIP3 1354 78.882 7.763 -2.800 1.00 0.00 WT3 H ATOM 37680 H2 TIP3 1354 79.877 8.466 -1.902 1.00 0.00 WT3 H ATOM 37681 OH2 TIP3 1355 33.080 27.160 3.072 1.00 0.00 WT3 O ATOM 37682 H1 TIP3 1355 32.136 27.290 2.985 1.00 0.00 WT3 H ATOM 37683 H2 TIP3 1355 33.207 26.221 2.935 1.00 0.00 WT3 H ATOM 37684 OH2 TIP3 1356 81.434 93.473 37.475 1.00 0.00 WT3 O ATOM 37685 H1 TIP3 1356 82.228 93.059 37.814 1.00 0.00 WT3 H ATOM 37686 H2 TIP3 1356 81.710 93.891 36.660 1.00 0.00 WT3 H ATOM 37687 OH2 TIP3 1357 76.298 81.478 22.072 1.00 0.00 WT3 O ATOM 37688 H1 TIP3 1357 76.512 82.258 22.585 1.00 0.00 WT3 H ATOM 37689 H2 TIP3 1357 76.118 80.803 22.726 1.00 0.00 WT3 H ATOM 37690 OH2 TIP3 1359 58.201 70.743 -2.826 1.00 0.00 WT3 O ATOM 37691 H1 TIP3 1359 58.245 71.429 -2.160 1.00 0.00 WT3 H ATOM 37692 H2 TIP3 1359 57.740 70.022 -2.398 1.00 0.00 WT3 H ATOM 37693 OH2 TIP3 1360 88.780 72.021 8.044 1.00 0.00 WT3 O ATOM 37694 H1 TIP3 1360 88.925 71.134 8.373 1.00 0.00 WT3 H ATOM 37695 H2 TIP3 1360 88.775 72.570 8.829 1.00 0.00 WT3 H ATOM 37696 OH2 TIP3 1361 47.244 91.810 57.958 1.00 0.00 WT3 O ATOM 37697 H1 TIP3 1361 46.587 91.939 57.273 1.00 0.00 WT3 H ATOM 37698 H2 TIP3 1361 46.893 91.101 58.496 1.00 0.00 WT3 H ATOM 37699 OH2 TIP3 1362 66.481 81.802 34.763 1.00 0.00 WT3 O ATOM 37700 H1 TIP3 1362 66.459 81.474 33.864 1.00 0.00 WT3 H ATOM 37701 H2 TIP3 1362 66.929 82.645 34.699 1.00 0.00 WT3 H ATOM 37702 OH2 TIP3 1363 59.536 60.522 35.537 1.00 0.00 WT3 O ATOM 37703 H1 TIP3 1363 58.581 60.515 35.602 1.00 0.00 WT3 H ATOM 37704 H2 TIP3 1363 59.758 59.665 35.173 1.00 0.00 WT3 H ATOM 37705 OH2 TIP3 1365 85.121 72.381 28.547 1.00 0.00 WT3 O ATOM 37706 H1 TIP3 1365 85.238 71.617 29.112 1.00 0.00 WT3 H ATOM 37707 H2 TIP3 1365 85.926 72.423 28.032 1.00 0.00 WT3 H ATOM 37708 OH2 TIP3 1367 27.512 20.648 27.168 1.00 0.00 WT3 O ATOM 37709 H1 TIP3 1367 27.197 20.578 28.069 1.00 0.00 WT3 H ATOM 37710 H2 TIP3 1367 26.785 21.048 26.690 1.00 0.00 WT3 H ATOM 37711 OH2 TIP3 1368 27.498 65.909 18.337 1.00 0.00 WT3 O ATOM 37712 H1 TIP3 1368 27.809 65.197 17.777 1.00 0.00 WT3 H ATOM 37713 H2 TIP3 1368 28.286 66.410 18.548 1.00 0.00 WT3 H ATOM 37714 OH2 TIP3 1369 56.556 79.363 24.901 1.00 0.00 WT3 O ATOM 37715 H1 TIP3 1369 56.560 79.949 25.657 1.00 0.00 WT3 H ATOM 37716 H2 TIP3 1369 55.861 78.732 25.090 1.00 0.00 WT3 H ATOM 37717 OH2 TIP3 1370 84.291 69.458 22.918 1.00 0.00 WT3 O ATOM 37718 H1 TIP3 1370 84.636 68.778 23.496 1.00 0.00 WT3 H ATOM 37719 H2 TIP3 1370 84.129 69.009 22.089 1.00 0.00 WT3 H ATOM 37720 OH2 TIP3 1371 43.271 28.902 52.590 1.00 0.00 WT3 O ATOM 37721 H1 TIP3 1371 44.001 29.302 53.063 1.00 0.00 WT3 H ATOM 37722 H2 TIP3 1371 43.682 28.455 51.850 1.00 0.00 WT3 H ATOM 37723 OH2 TIP3 1372 56.724 56.100 -8.484 1.00 0.00 WT3 O ATOM 37724 H1 TIP3 1372 56.156 56.448 -9.172 1.00 0.00 WT3 H ATOM 37725 H2 TIP3 1372 56.213 55.398 -8.084 1.00 0.00 WT3 H ATOM 37726 OH2 TIP3 1374 35.070 3.853 22.429 1.00 0.00 WT3 O ATOM 37727 H1 TIP3 1374 35.343 4.759 22.574 1.00 0.00 WT3 H ATOM 37728 H2 TIP3 1374 34.915 3.506 23.308 1.00 0.00 WT3 H ATOM 37729 OH2 TIP3 1375 35.224 62.101 -1.326 1.00 0.00 WT3 O ATOM 37730 H1 TIP3 1375 34.970 62.715 -0.636 1.00 0.00 WT3 H ATOM 37731 H2 TIP3 1375 35.340 61.266 -0.873 1.00 0.00 WT3 H ATOM 37732 OH2 TIP3 1376 28.854 76.004 29.478 1.00 0.00 WT3 O ATOM 37733 H1 TIP3 1376 28.461 76.390 28.695 1.00 0.00 WT3 H ATOM 37734 H2 TIP3 1376 29.660 75.594 29.164 1.00 0.00 WT3 H ATOM 37735 OH2 TIP3 1378 35.118 2.025 0.363 1.00 0.00 WT3 O ATOM 37736 H1 TIP3 1378 35.423 2.291 1.231 1.00 0.00 WT3 H ATOM 37737 H2 TIP3 1378 35.221 1.074 0.354 1.00 0.00 WT3 H ATOM 37738 OH2 TIP3 1379 65.779 87.008 3.764 1.00 0.00 WT3 O ATOM 37739 H1 TIP3 1379 65.971 87.593 4.497 1.00 0.00 WT3 H ATOM 37740 H2 TIP3 1379 66.562 86.464 3.680 1.00 0.00 WT3 H ATOM 37741 OH2 TIP3 1380 76.969 1.846 67.095 1.00 0.00 WT3 O ATOM 37742 H1 TIP3 1380 76.603 1.603 66.244 1.00 0.00 WT3 H ATOM 37743 H2 TIP3 1380 76.392 2.539 67.415 1.00 0.00 WT3 H ATOM 37744 OH2 TIP3 1381 75.555 3.855 0.040 1.00 0.00 WT3 O ATOM 37745 H1 TIP3 1381 76.368 3.573 0.459 1.00 0.00 WT3 H ATOM 37746 H2 TIP3 1381 75.735 4.748 -0.256 1.00 0.00 WT3 H ATOM 37747 OH2 TIP3 1382 31.203 61.486 50.308 1.00 0.00 WT3 O ATOM 37748 H1 TIP3 1382 30.964 62.173 49.685 1.00 0.00 WT3 H ATOM 37749 H2 TIP3 1382 31.582 60.793 49.766 1.00 0.00 WT3 H ATOM 37750 OH2 TIP3 1383 60.424 62.582 29.504 1.00 0.00 WT3 O ATOM 37751 H1 TIP3 1383 59.635 62.145 29.825 1.00 0.00 WT3 H ATOM 37752 H2 TIP3 1383 60.128 63.084 28.745 1.00 0.00 WT3 H ATOM 37753 OH2 TIP3 1387 26.002 31.060 55.406 1.00 0.00 WT3 O ATOM 37754 H1 TIP3 1387 25.723 31.957 55.593 1.00 0.00 WT3 H ATOM 37755 H2 TIP3 1387 26.249 31.073 54.482 1.00 0.00 WT3 H ATOM 37756 OH2 TIP3 1388 36.839 95.684 -11.013 1.00 0.00 WT3 O ATOM 37757 H1 TIP3 1388 36.817 96.409 -10.389 1.00 0.00 WT3 H ATOM 37758 H2 TIP3 1388 37.734 95.351 -10.963 1.00 0.00 WT3 H ATOM 37759 OH2 TIP3 1389 49.535 89.390 2.290 1.00 0.00 WT3 O ATOM 37760 H1 TIP3 1389 49.555 89.197 3.227 1.00 0.00 WT3 H ATOM 37761 H2 TIP3 1389 49.945 90.252 2.214 1.00 0.00 WT3 H ATOM 37762 OH2 TIP3 1390 30.055 59.188 14.894 1.00 0.00 WT3 O ATOM 37763 H1 TIP3 1390 29.658 58.438 14.452 1.00 0.00 WT3 H ATOM 37764 H2 TIP3 1390 30.758 58.811 15.423 1.00 0.00 WT3 H ATOM 37765 OH2 TIP3 1392 78.397 58.568 3.644 1.00 0.00 WT3 O ATOM 37766 H1 TIP3 1392 78.199 57.632 3.635 1.00 0.00 WT3 H ATOM 37767 H2 TIP3 1392 77.899 58.912 4.386 1.00 0.00 WT3 H ATOM 37768 OH2 TIP3 1393 90.136 45.426 -11.373 1.00 0.00 WT3 O ATOM 37769 H1 TIP3 1393 89.382 45.458 -10.785 1.00 0.00 WT3 H ATOM 37770 H2 TIP3 1393 90.055 44.584 -11.822 1.00 0.00 WT3 H ATOM 37771 OH2 TIP3 1394 58.381 21.423 2.847 1.00 0.00 WT3 O ATOM 37772 H1 TIP3 1394 57.599 21.722 3.311 1.00 0.00 WT3 H ATOM 37773 H2 TIP3 1394 58.304 20.469 2.837 1.00 0.00 WT3 H ATOM 37774 OH2 TIP3 1395 34.570 58.432 15.157 1.00 0.00 WT3 O ATOM 37775 H1 TIP3 1395 35.091 58.131 14.413 1.00 0.00 WT3 H ATOM 37776 H2 TIP3 1395 35.083 59.148 15.534 1.00 0.00 WT3 H ATOM 37777 OH2 TIP3 1396 34.362 71.181 36.759 1.00 0.00 WT3 O ATOM 37778 H1 TIP3 1396 35.181 71.599 37.027 1.00 0.00 WT3 H ATOM 37779 H2 TIP3 1396 34.439 71.090 35.809 1.00 0.00 WT3 H ATOM 37780 OH2 TIP3 1397 61.490 67.212 -4.175 1.00 0.00 WT3 O ATOM 37781 H1 TIP3 1397 61.648 66.271 -4.098 1.00 0.00 WT3 H ATOM 37782 H2 TIP3 1397 60.796 67.392 -3.542 1.00 0.00 WT3 H ATOM 37783 OH2 TIP3 1398 46.686 67.536 52.037 1.00 0.00 WT3 O ATOM 37784 H1 TIP3 1398 45.793 67.192 52.027 1.00 0.00 WT3 H ATOM 37785 H2 TIP3 1398 47.086 67.190 51.239 1.00 0.00 WT3 H ATOM 37786 OH2 TIP3 1399 81.273 74.812 -16.879 1.00 0.00 WT3 O ATOM 37787 H1 TIP3 1399 81.547 75.362 -17.613 1.00 0.00 WT3 H ATOM 37788 H2 TIP3 1399 81.829 74.035 -16.943 1.00 0.00 WT3 H ATOM 37789 OH2 TIP3 1400 36.485 14.824 6.906 1.00 0.00 WT3 O ATOM 37790 H1 TIP3 1400 37.404 14.952 6.672 1.00 0.00 WT3 H ATOM 37791 H2 TIP3 1400 36.007 15.431 6.342 1.00 0.00 WT3 H ATOM 37792 OH2 TIP3 1401 89.475 3.783 11.045 1.00 0.00 WT3 O ATOM 37793 H1 TIP3 1401 89.520 3.847 11.999 1.00 0.00 WT3 H ATOM 37794 H2 TIP3 1401 88.703 3.242 10.877 1.00 0.00 WT3 H ATOM 37795 OH2 TIP3 1402 29.452 86.827 -14.064 1.00 0.00 WT3 O ATOM 37796 H1 TIP3 1402 30.175 86.323 -13.691 1.00 0.00 WT3 H ATOM 37797 H2 TIP3 1402 29.875 87.569 -14.497 1.00 0.00 WT3 H ATOM 37798 OH2 TIP3 1403 67.486 65.861 -19.591 1.00 0.00 WT3 O ATOM 37799 H1 TIP3 1403 67.569 65.441 -18.735 1.00 0.00 WT3 H ATOM 37800 H2 TIP3 1403 67.359 66.789 -19.391 1.00 0.00 WT3 H ATOM 37801 OH2 TIP3 1404 24.406 93.064 54.815 1.00 0.00 WT3 O ATOM 37802 H1 TIP3 1404 25.279 93.037 55.208 1.00 0.00 WT3 H ATOM 37803 H2 TIP3 1404 24.281 92.188 54.450 1.00 0.00 WT3 H ATOM 37804 OH2 TIP3 1407 84.543 45.355 -2.026 1.00 0.00 WT3 O ATOM 37805 H1 TIP3 1407 83.696 44.930 -2.164 1.00 0.00 WT3 H ATOM 37806 H2 TIP3 1407 84.427 46.239 -2.373 1.00 0.00 WT3 H ATOM 37807 OH2 TIP3 1408 39.011 24.971 -0.113 1.00 0.00 WT3 O ATOM 37808 H1 TIP3 1408 39.573 24.666 0.600 1.00 0.00 WT3 H ATOM 37809 H2 TIP3 1408 39.004 24.247 -0.739 1.00 0.00 WT3 H ATOM 37810 OH2 TIP3 1409 69.286 69.345 48.436 1.00 0.00 WT3 O ATOM 37811 H1 TIP3 1409 68.602 68.885 47.949 1.00 0.00 WT3 H ATOM 37812 H2 TIP3 1409 69.973 69.506 47.790 1.00 0.00 WT3 H ATOM 37813 OH2 TIP3 1411 55.348 87.075 -2.720 1.00 0.00 WT3 O ATOM 37814 H1 TIP3 1411 55.201 87.727 -3.405 1.00 0.00 WT3 H ATOM 37815 H2 TIP3 1411 55.612 86.286 -3.193 1.00 0.00 WT3 H ATOM 37816 OH2 TIP3 1412 33.141 42.072 2.064 1.00 0.00 WT3 O ATOM 37817 H1 TIP3 1412 33.997 42.292 1.697 1.00 0.00 WT3 H ATOM 37818 H2 TIP3 1412 32.683 41.624 1.354 1.00 0.00 WT3 H ATOM 37819 OH2 TIP3 1413 23.577 76.031 61.970 1.00 0.00 WT3 O ATOM 37820 H1 TIP3 1413 24.224 76.223 61.292 1.00 0.00 WT3 H ATOM 37821 H2 TIP3 1413 23.593 76.800 62.541 1.00 0.00 WT3 H ATOM 37822 OH2 TIP3 1414 31.906 79.383 44.361 1.00 0.00 WT3 O ATOM 37823 H1 TIP3 1414 32.593 79.950 44.010 1.00 0.00 WT3 H ATOM 37824 H2 TIP3 1414 31.252 79.338 43.665 1.00 0.00 WT3 H ATOM 37825 OH2 TIP3 1415 82.541 29.303 27.693 1.00 0.00 WT3 O ATOM 37826 H1 TIP3 1415 82.483 29.687 28.568 1.00 0.00 WT3 H ATOM 37827 H2 TIP3 1415 82.595 28.360 27.848 1.00 0.00 WT3 H ATOM 37828 OH2 TIP3 1416 49.087 88.845 48.299 1.00 0.00 WT3 O ATOM 37829 H1 TIP3 1416 50.013 88.603 48.320 1.00 0.00 WT3 H ATOM 37830 H2 TIP3 1416 48.635 88.046 48.029 1.00 0.00 WT3 H ATOM 37831 OH2 TIP3 1417 27.539 4.257 43.942 1.00 0.00 WT3 O ATOM 37832 H1 TIP3 1417 28.024 5.081 43.948 1.00 0.00 WT3 H ATOM 37833 H2 TIP3 1417 28.210 3.583 43.837 1.00 0.00 WT3 H ATOM 37834 OH2 TIP3 1418 50.898 52.626 36.145 1.00 0.00 WT3 O ATOM 37835 H1 TIP3 1418 51.280 53.419 36.520 1.00 0.00 WT3 H ATOM 37836 H2 TIP3 1418 51.081 52.691 35.208 1.00 0.00 WT3 H ATOM 37837 OH2 TIP3 1419 85.015 38.207 42.841 1.00 0.00 WT3 O ATOM 37838 H1 TIP3 1419 84.590 37.390 42.583 1.00 0.00 WT3 H ATOM 37839 H2 TIP3 1419 85.943 37.985 42.907 1.00 0.00 WT3 H ATOM 37840 OH2 TIP3 1420 87.424 93.135 8.689 1.00 0.00 WT3 O ATOM 37841 H1 TIP3 1420 86.969 93.020 9.523 1.00 0.00 WT3 H ATOM 37842 H2 TIP3 1420 87.627 94.069 8.652 1.00 0.00 WT3 H ATOM 37843 OH2 TIP3 1421 59.443 72.733 29.896 1.00 0.00 WT3 O ATOM 37844 H1 TIP3 1421 59.001 72.485 29.083 1.00 0.00 WT3 H ATOM 37845 H2 TIP3 1421 58.736 72.829 30.534 1.00 0.00 WT3 H ATOM 37846 OH2 TIP3 1422 61.352 94.193 3.785 1.00 0.00 WT3 O ATOM 37847 H1 TIP3 1422 61.111 94.975 4.283 1.00 0.00 WT3 H ATOM 37848 H2 TIP3 1422 62.283 94.069 3.969 1.00 0.00 WT3 H ATOM 37849 OH2 TIP3 1423 23.288 19.379 9.066 1.00 0.00 WT3 O ATOM 37850 H1 TIP3 1423 24.123 18.930 9.197 1.00 0.00 WT3 H ATOM 37851 H2 TIP3 1423 23.393 19.843 8.235 1.00 0.00 WT3 H ATOM 37852 OH2 TIP3 1424 34.432 84.513 41.235 1.00 0.00 WT3 O ATOM 37853 H1 TIP3 1424 35.253 84.929 40.972 1.00 0.00 WT3 H ATOM 37854 H2 TIP3 1424 34.355 83.750 40.662 1.00 0.00 WT3 H ATOM 37855 OH2 TIP3 1426 37.645 71.313 63.012 1.00 0.00 WT3 O ATOM 37856 H1 TIP3 1426 37.631 70.402 63.306 1.00 0.00 WT3 H ATOM 37857 H2 TIP3 1426 38.305 71.733 63.563 1.00 0.00 WT3 H ATOM 37858 OH2 TIP3 1428 56.215 31.963 -15.254 1.00 0.00 WT3 O ATOM 37859 H1 TIP3 1428 55.913 32.871 -15.282 1.00 0.00 WT3 H ATOM 37860 H2 TIP3 1428 55.658 31.506 -15.884 1.00 0.00 WT3 H ATOM 37861 OH2 TIP3 1429 86.737 74.635 66.121 1.00 0.00 WT3 O ATOM 37862 H1 TIP3 1429 86.679 75.502 66.523 1.00 0.00 WT3 H ATOM 37863 H2 TIP3 1429 86.188 74.696 65.340 1.00 0.00 WT3 H ATOM 37864 OH2 TIP3 1430 65.836 74.687 46.728 1.00 0.00 WT3 O ATOM 37865 H1 TIP3 1430 66.041 74.016 47.379 1.00 0.00 WT3 H ATOM 37866 H2 TIP3 1430 65.646 74.196 45.928 1.00 0.00 WT3 H ATOM 37867 OH2 TIP3 1431 42.255 76.280 22.322 1.00 0.00 WT3 O ATOM 37868 H1 TIP3 1431 43.205 76.162 22.294 1.00 0.00 WT3 H ATOM 37869 H2 TIP3 1431 41.904 75.390 22.358 1.00 0.00 WT3 H ATOM 37870 OH2 TIP3 1433 73.617 81.734 14.222 1.00 0.00 WT3 O ATOM 37871 H1 TIP3 1433 73.229 81.855 13.356 1.00 0.00 WT3 H ATOM 37872 H2 TIP3 1433 72.870 81.590 14.802 1.00 0.00 WT3 H ATOM 37873 OH2 TIP3 1434 86.970 69.708 25.312 1.00 0.00 WT3 O ATOM 37874 H1 TIP3 1434 86.230 69.536 24.729 1.00 0.00 WT3 H ATOM 37875 H2 TIP3 1434 87.261 68.840 25.591 1.00 0.00 WT3 H ATOM 37876 OH2 TIP3 1435 62.123 6.661 31.794 1.00 0.00 WT3 O ATOM 37877 H1 TIP3 1435 61.849 7.573 31.894 1.00 0.00 WT3 H ATOM 37878 H2 TIP3 1435 61.927 6.258 32.639 1.00 0.00 WT3 H ATOM 37879 OH2 TIP3 1436 52.063 83.880 24.901 1.00 0.00 WT3 O ATOM 37880 H1 TIP3 1436 51.241 84.091 25.342 1.00 0.00 WT3 H ATOM 37881 H2 TIP3 1436 52.629 84.633 25.073 1.00 0.00 WT3 H ATOM 37882 OH2 TIP3 1437 78.360 77.072 25.753 1.00 0.00 WT3 O ATOM 37883 H1 TIP3 1437 78.153 76.138 25.729 1.00 0.00 WT3 H ATOM 37884 H2 TIP3 1437 77.679 77.456 26.305 1.00 0.00 WT3 H ATOM 37885 OH2 TIP3 1438 35.508 73.622 1.942 1.00 0.00 WT3 O ATOM 37886 H1 TIP3 1438 35.822 74.362 1.422 1.00 0.00 WT3 H ATOM 37887 H2 TIP3 1438 35.331 73.993 2.806 1.00 0.00 WT3 H ATOM 37888 OH2 TIP3 1439 65.827 52.916 -4.562 1.00 0.00 WT3 O ATOM 37889 H1 TIP3 1439 66.252 53.301 -5.329 1.00 0.00 WT3 H ATOM 37890 H2 TIP3 1439 65.009 53.406 -4.471 1.00 0.00 WT3 H ATOM 37891 OH2 TIP3 1440 85.592 26.860 -14.730 1.00 0.00 WT3 O ATOM 37892 H1 TIP3 1440 86.087 26.041 -14.734 1.00 0.00 WT3 H ATOM 37893 H2 TIP3 1440 86.055 27.424 -15.349 1.00 0.00 WT3 H ATOM 37894 OH2 TIP3 1441 35.904 88.797 -3.849 1.00 0.00 WT3 O ATOM 37895 H1 TIP3 1441 36.829 88.587 -3.723 1.00 0.00 WT3 H ATOM 37896 H2 TIP3 1441 35.539 88.025 -4.281 1.00 0.00 WT3 H ATOM 37897 OH2 TIP3 1442 40.096 63.212 37.997 1.00 0.00 WT3 O ATOM 37898 H1 TIP3 1442 40.988 63.548 38.078 1.00 0.00 WT3 H ATOM 37899 H2 TIP3 1442 39.635 63.876 37.485 1.00 0.00 WT3 H ATOM 37900 OH2 TIP3 1444 58.180 75.704 37.821 1.00 0.00 WT3 O ATOM 37901 H1 TIP3 1444 57.816 75.223 38.564 1.00 0.00 WT3 H ATOM 37902 H2 TIP3 1444 57.595 75.498 37.092 1.00 0.00 WT3 H ATOM 37903 OH2 TIP3 1445 46.446 43.319 42.196 1.00 0.00 WT3 O ATOM 37904 H1 TIP3 1445 46.644 43.076 43.101 1.00 0.00 WT3 H ATOM 37905 H2 TIP3 1445 45.985 42.559 41.839 1.00 0.00 WT3 H ATOM 37906 OH2 TIP3 1446 46.051 47.167 59.665 1.00 0.00 WT3 O ATOM 37907 H1 TIP3 1446 46.154 47.204 60.616 1.00 0.00 WT3 H ATOM 37908 H2 TIP3 1446 46.112 48.079 59.381 1.00 0.00 WT3 H ATOM 37909 OH2 TIP3 1448 44.667 80.331 11.175 1.00 0.00 WT3 O ATOM 37910 H1 TIP3 1448 45.004 81.090 11.651 1.00 0.00 WT3 H ATOM 37911 H2 TIP3 1448 45.388 79.701 11.187 1.00 0.00 WT3 H ATOM 37912 OH2 TIP3 1449 82.883 85.226 29.118 1.00 0.00 WT3 O ATOM 37913 H1 TIP3 1449 82.508 86.102 29.028 1.00 0.00 WT3 H ATOM 37914 H2 TIP3 1449 82.135 84.665 29.325 1.00 0.00 WT3 H ATOM 37915 OH2 TIP3 1450 70.825 19.696 57.527 1.00 0.00 WT3 O ATOM 37916 H1 TIP3 1450 69.941 19.357 57.664 1.00 0.00 WT3 H ATOM 37917 H2 TIP3 1450 70.703 20.635 57.386 1.00 0.00 WT3 H ATOM 37918 OH2 TIP3 1451 30.260 0.438 -15.163 1.00 0.00 WT3 O ATOM 37919 H1 TIP3 1451 29.386 0.575 -15.529 1.00 0.00 WT3 H ATOM 37920 H2 TIP3 1451 30.281 -0.492 -14.937 1.00 0.00 WT3 H ATOM 37921 OH2 TIP3 1453 73.683 61.080 3.813 1.00 0.00 WT3 O ATOM 37922 H1 TIP3 1453 73.792 62.030 3.854 1.00 0.00 WT3 H ATOM 37923 H2 TIP3 1453 73.026 60.885 4.482 1.00 0.00 WT3 H ATOM 37924 OH2 TIP3 1454 90.077 31.556 16.877 1.00 0.00 WT3 O ATOM 37925 H1 TIP3 1454 89.821 30.874 17.498 1.00 0.00 WT3 H ATOM 37926 H2 TIP3 1454 90.203 31.092 16.049 1.00 0.00 WT3 H ATOM 37927 OH2 TIP3 1455 89.927 39.296 4.731 1.00 0.00 WT3 O ATOM 37928 H1 TIP3 1455 90.296 38.440 4.948 1.00 0.00 WT3 H ATOM 37929 H2 TIP3 1455 90.605 39.921 4.988 1.00 0.00 WT3 H ATOM 37930 OH2 TIP3 1456 89.777 84.144 49.790 1.00 0.00 WT3 O ATOM 37931 H1 TIP3 1456 89.687 84.250 48.843 1.00 0.00 WT3 H ATOM 37932 H2 TIP3 1456 89.165 84.779 50.162 1.00 0.00 WT3 H ATOM 37933 OH2 TIP3 1457 81.074 36.981 7.629 1.00 0.00 WT3 O ATOM 37934 H1 TIP3 1457 80.280 37.395 7.292 1.00 0.00 WT3 H ATOM 37935 H2 TIP3 1457 80.815 36.617 8.476 1.00 0.00 WT3 H ATOM 37936 OH2 TIP3 1458 70.426 80.244 60.586 1.00 0.00 WT3 O ATOM 37937 H1 TIP3 1458 70.614 81.169 60.427 1.00 0.00 WT3 H ATOM 37938 H2 TIP3 1458 71.215 79.909 61.011 1.00 0.00 WT3 H ATOM 37939 OH2 TIP3 1459 30.473 19.559 66.930 1.00 0.00 WT3 O ATOM 37940 H1 TIP3 1459 30.181 19.481 67.838 1.00 0.00 WT3 H ATOM 37941 H2 TIP3 1459 29.671 19.723 66.433 1.00 0.00 WT3 H ATOM 37942 OH2 TIP3 1460 39.080 5.090 16.786 1.00 0.00 WT3 O ATOM 37943 H1 TIP3 1460 39.416 4.223 17.014 1.00 0.00 WT3 H ATOM 37944 H2 TIP3 1460 38.132 5.017 16.896 1.00 0.00 WT3 H ATOM 37945 OH2 TIP3 1461 28.991 82.360 -16.395 1.00 0.00 WT3 O ATOM 37946 H1 TIP3 1461 29.738 82.753 -15.944 1.00 0.00 WT3 H ATOM 37947 H2 TIP3 1461 29.102 82.616 -17.311 1.00 0.00 WT3 H ATOM 37948 OH2 TIP3 1462 20.800 85.040 35.086 1.00 0.00 WT3 O ATOM 37949 H1 TIP3 1462 21.312 84.687 34.358 1.00 0.00 WT3 H ATOM 37950 H2 TIP3 1462 19.964 84.577 35.038 1.00 0.00 WT3 H ATOM 37951 OH2 TIP3 1463 58.302 75.262 28.161 1.00 0.00 WT3 O ATOM 37952 H1 TIP3 1463 57.792 75.404 28.959 1.00 0.00 WT3 H ATOM 37953 H2 TIP3 1463 57.803 74.609 27.671 1.00 0.00 WT3 H ATOM 37954 OH2 TIP3 1464 65.858 8.485 20.545 1.00 0.00 WT3 O ATOM 37955 H1 TIP3 1464 66.421 8.150 21.243 1.00 0.00 WT3 H ATOM 37956 H2 TIP3 1464 64.981 8.498 20.929 1.00 0.00 WT3 H ATOM 37957 OH2 TIP3 1465 26.000 93.746 -13.752 1.00 0.00 WT3 O ATOM 37958 H1 TIP3 1465 26.170 93.804 -12.812 1.00 0.00 WT3 H ATOM 37959 H2 TIP3 1465 26.694 93.179 -14.087 1.00 0.00 WT3 H ATOM 37960 OH2 TIP3 1467 68.206 16.921 46.795 1.00 0.00 WT3 O ATOM 37961 H1 TIP3 1467 67.372 16.906 46.326 1.00 0.00 WT3 H ATOM 37962 H2 TIP3 1467 68.096 17.602 47.459 1.00 0.00 WT3 H ATOM 37963 OH2 TIP3 1468 28.254 10.522 -14.402 1.00 0.00 WT3 O ATOM 37964 H1 TIP3 1468 28.885 11.174 -14.096 1.00 0.00 WT3 H ATOM 37965 H2 TIP3 1468 27.400 10.934 -14.268 1.00 0.00 WT3 H ATOM 37966 OH2 TIP3 1470 26.311 55.697 48.685 1.00 0.00 WT3 O ATOM 37967 H1 TIP3 1470 26.861 55.204 49.294 1.00 0.00 WT3 H ATOM 37968 H2 TIP3 1470 26.091 56.500 49.157 1.00 0.00 WT3 H ATOM 37969 OH2 TIP3 1471 30.111 89.152 5.079 1.00 0.00 WT3 O ATOM 37970 H1 TIP3 1471 30.326 89.648 4.288 1.00 0.00 WT3 H ATOM 37971 H2 TIP3 1471 30.703 89.497 5.747 1.00 0.00 WT3 H ATOM 37972 OH2 TIP3 1474 62.699 17.560 8.506 1.00 0.00 WT3 O ATOM 37973 H1 TIP3 1474 62.358 16.743 8.144 1.00 0.00 WT3 H ATOM 37974 H2 TIP3 1474 63.523 17.312 8.926 1.00 0.00 WT3 H ATOM 37975 OH2 TIP3 1475 75.594 95.717 -0.591 1.00 0.00 WT3 O ATOM 37976 H1 TIP3 1475 75.283 96.600 -0.792 1.00 0.00 WT3 H ATOM 37977 H2 TIP3 1475 74.986 95.393 0.073 1.00 0.00 WT3 H ATOM 37978 OH2 TIP3 1476 24.754 27.718 12.454 1.00 0.00 WT3 O ATOM 37979 H1 TIP3 1476 24.765 28.627 12.753 1.00 0.00 WT3 H ATOM 37980 H2 TIP3 1476 25.360 27.265 13.039 1.00 0.00 WT3 H ATOM 37981 OH2 TIP3 1478 24.941 96.670 51.696 1.00 0.00 WT3 O ATOM 37982 H1 TIP3 1478 25.819 96.812 52.050 1.00 0.00 WT3 H ATOM 37983 H2 TIP3 1478 24.749 95.752 51.890 1.00 0.00 WT3 H ATOM 37984 OH2 TIP3 1479 58.702 60.837 -11.377 1.00 0.00 WT3 O ATOM 37985 H1 TIP3 1479 59.603 60.651 -11.640 1.00 0.00 WT3 H ATOM 37986 H2 TIP3 1479 58.657 60.561 -10.462 1.00 0.00 WT3 H ATOM 37987 OH2 TIP3 1480 34.765 29.801 20.883 1.00 0.00 WT3 O ATOM 37988 H1 TIP3 1480 34.713 30.241 21.732 1.00 0.00 WT3 H ATOM 37989 H2 TIP3 1480 34.754 30.513 20.243 1.00 0.00 WT3 H ATOM 37990 OH2 TIP3 1481 34.218 73.982 38.295 1.00 0.00 WT3 O ATOM 37991 H1 TIP3 1481 35.085 73.804 37.930 1.00 0.00 WT3 H ATOM 37992 H2 TIP3 1481 33.790 74.533 37.639 1.00 0.00 WT3 H ATOM 37993 OH2 TIP3 1482 25.188 89.105 7.285 1.00 0.00 WT3 O ATOM 37994 H1 TIP3 1482 25.751 89.280 8.039 1.00 0.00 WT3 H ATOM 37995 H2 TIP3 1482 24.299 89.134 7.637 1.00 0.00 WT3 H ATOM 37996 OH2 TIP3 1484 57.233 71.670 45.541 1.00 0.00 WT3 O ATOM 37997 H1 TIP3 1484 56.526 71.053 45.346 1.00 0.00 WT3 H ATOM 37998 H2 TIP3 1484 56.792 72.422 45.937 1.00 0.00 WT3 H ATOM 37999 OH2 TIP3 1486 67.646 45.865 55.823 1.00 0.00 WT3 O ATOM 38000 H1 TIP3 1486 67.766 46.809 55.720 1.00 0.00 WT3 H ATOM 38001 H2 TIP3 1486 66.855 45.781 56.355 1.00 0.00 WT3 H ATOM 38002 OH2 TIP3 1487 84.406 87.226 64.715 1.00 0.00 WT3 O ATOM 38003 H1 TIP3 1487 84.165 87.186 63.789 1.00 0.00 WT3 H ATOM 38004 H2 TIP3 1487 84.619 86.322 64.946 1.00 0.00 WT3 H ATOM 38005 OH2 TIP3 1489 22.097 62.324 53.494 1.00 0.00 WT3 O ATOM 38006 H1 TIP3 1489 21.965 63.259 53.337 1.00 0.00 WT3 H ATOM 38007 H2 TIP3 1489 21.569 61.891 52.823 1.00 0.00 WT3 H ATOM 38008 OH2 TIP3 1491 58.648 35.308 -1.832 1.00 0.00 WT3 O ATOM 38009 H1 TIP3 1491 57.734 35.029 -1.777 1.00 0.00 WT3 H ATOM 38010 H2 TIP3 1491 59.138 34.499 -1.976 1.00 0.00 WT3 H ATOM 38011 OH2 TIP3 1493 42.876 1.848 30.516 1.00 0.00 WT3 O ATOM 38012 H1 TIP3 1493 43.750 2.235 30.575 1.00 0.00 WT3 H ATOM 38013 H2 TIP3 1493 42.321 2.428 31.036 1.00 0.00 WT3 H ATOM 38014 OH2 TIP3 1494 65.356 19.036 58.569 1.00 0.00 WT3 O ATOM 38015 H1 TIP3 1494 64.540 18.893 58.090 1.00 0.00 WT3 H ATOM 38016 H2 TIP3 1494 65.293 18.458 59.328 1.00 0.00 WT3 H ATOM 38017 OH2 TIP3 1495 73.715 74.939 54.273 1.00 0.00 WT3 O ATOM 38018 H1 TIP3 1495 74.136 74.079 54.287 1.00 0.00 WT3 H ATOM 38019 H2 TIP3 1495 73.241 74.960 53.442 1.00 0.00 WT3 H ATOM 38020 OH2 TIP3 1496 84.382 33.788 7.633 1.00 0.00 WT3 O ATOM 38021 H1 TIP3 1496 84.182 34.709 7.797 1.00 0.00 WT3 H ATOM 38022 H2 TIP3 1496 84.070 33.629 6.742 1.00 0.00 WT3 H ATOM 38023 OH2 TIP3 1497 20.744 24.425 55.258 1.00 0.00 WT3 O ATOM 38024 H1 TIP3 1497 19.825 24.327 55.507 1.00 0.00 WT3 H ATOM 38025 H2 TIP3 1497 21.219 24.433 56.088 1.00 0.00 WT3 H ATOM 38026 OH2 TIP3 1499 40.902 61.683 14.788 1.00 0.00 WT3 O ATOM 38027 H1 TIP3 1499 41.288 62.552 14.898 1.00 0.00 WT3 H ATOM 38028 H2 TIP3 1499 41.174 61.199 15.568 1.00 0.00 WT3 H ATOM 38029 OH2 TIP3 1501 84.917 66.472 42.320 1.00 0.00 WT3 O ATOM 38030 H1 TIP3 1501 85.289 65.598 42.201 1.00 0.00 WT3 H ATOM 38031 H2 TIP3 1501 85.674 67.037 42.475 1.00 0.00 WT3 H ATOM 38032 OH2 TIP3 1502 37.348 8.307 13.482 1.00 0.00 WT3 O ATOM 38033 H1 TIP3 1502 36.652 8.290 14.139 1.00 0.00 WT3 H ATOM 38034 H2 TIP3 1502 38.068 7.820 13.883 1.00 0.00 WT3 H ATOM 38035 OH2 TIP3 1503 85.842 48.945 61.638 1.00 0.00 WT3 O ATOM 38036 H1 TIP3 1503 86.413 49.473 62.197 1.00 0.00 WT3 H ATOM 38037 H2 TIP3 1503 85.808 49.425 60.810 1.00 0.00 WT3 H ATOM 38038 OH2 TIP3 1504 24.384 4.282 14.124 1.00 0.00 WT3 O ATOM 38039 H1 TIP3 1504 25.147 4.616 13.652 1.00 0.00 WT3 H ATOM 38040 H2 TIP3 1504 24.256 4.903 14.841 1.00 0.00 WT3 H ATOM 38041 OH2 TIP3 1505 65.993 20.328 5.136 1.00 0.00 WT3 O ATOM 38042 H1 TIP3 1505 66.255 20.844 5.898 1.00 0.00 WT3 H ATOM 38043 H2 TIP3 1505 65.782 19.464 5.492 1.00 0.00 WT3 H ATOM 38044 OH2 TIP3 1509 48.026 22.895 43.972 1.00 0.00 WT3 O ATOM 38045 H1 TIP3 1509 48.165 22.119 44.515 1.00 0.00 WT3 H ATOM 38046 H2 TIP3 1509 47.679 22.551 43.148 1.00 0.00 WT3 H ATOM 38047 OH2 TIP3 1510 50.127 84.913 33.640 1.00 0.00 WT3 O ATOM 38048 H1 TIP3 1510 50.872 84.391 33.342 1.00 0.00 WT3 H ATOM 38049 H2 TIP3 1510 49.467 84.266 33.893 1.00 0.00 WT3 H ATOM 38050 OH2 TIP3 1511 68.199 82.311 -19.182 1.00 0.00 WT3 O ATOM 38051 H1 TIP3 1511 69.143 82.279 -19.336 1.00 0.00 WT3 H ATOM 38052 H2 TIP3 1511 67.915 81.399 -19.245 1.00 0.00 WT3 H ATOM 38053 OH2 TIP3 1512 77.620 39.864 -0.111 1.00 0.00 WT3 O ATOM 38054 H1 TIP3 1512 76.942 39.393 -0.596 1.00 0.00 WT3 H ATOM 38055 H2 TIP3 1512 78.401 39.793 -0.660 1.00 0.00 WT3 H ATOM 38056 OH2 TIP3 1513 76.599 66.332 53.690 1.00 0.00 WT3 O ATOM 38057 H1 TIP3 1513 76.897 67.149 53.290 1.00 0.00 WT3 H ATOM 38058 H2 TIP3 1513 77.394 65.934 54.043 1.00 0.00 WT3 H ATOM 38059 OH2 TIP3 1515 64.323 73.622 25.046 1.00 0.00 WT3 O ATOM 38060 H1 TIP3 1515 63.614 73.868 24.451 1.00 0.00 WT3 H ATOM 38061 H2 TIP3 1515 64.136 72.713 25.279 1.00 0.00 WT3 H ATOM 38062 OH2 TIP3 1516 22.037 66.780 40.309 1.00 0.00 WT3 O ATOM 38063 H1 TIP3 1516 22.550 66.593 41.095 1.00 0.00 WT3 H ATOM 38064 H2 TIP3 1516 22.574 67.399 39.814 1.00 0.00 WT3 H ATOM 38065 OH2 TIP3 1517 82.943 74.979 44.317 1.00 0.00 WT3 O ATOM 38066 H1 TIP3 1517 82.389 75.491 44.906 1.00 0.00 WT3 H ATOM 38067 H2 TIP3 1517 83.221 75.602 43.646 1.00 0.00 WT3 H ATOM 38068 OH2 TIP3 1518 89.210 16.971 49.024 1.00 0.00 WT3 O ATOM 38069 H1 TIP3 1518 88.633 16.246 48.780 1.00 0.00 WT3 H ATOM 38070 H2 TIP3 1518 90.092 16.648 48.840 1.00 0.00 WT3 H ATOM 38071 OH2 TIP3 1519 46.035 25.907 41.592 1.00 0.00 WT3 O ATOM 38072 H1 TIP3 1519 46.985 25.792 41.600 1.00 0.00 WT3 H ATOM 38073 H2 TIP3 1519 45.867 26.563 42.269 1.00 0.00 WT3 H ATOM 38074 OH2 TIP3 1520 48.629 87.418 28.066 1.00 0.00 WT3 O ATOM 38075 H1 TIP3 1520 47.837 87.287 28.587 1.00 0.00 WT3 H ATOM 38076 H2 TIP3 1520 48.773 86.578 27.631 1.00 0.00 WT3 H ATOM 38077 OH2 TIP3 1522 37.575 28.154 39.181 1.00 0.00 WT3 O ATOM 38078 H1 TIP3 1522 36.666 28.367 39.392 1.00 0.00 WT3 H ATOM 38079 H2 TIP3 1522 37.524 27.321 38.713 1.00 0.00 WT3 H ATOM 38080 OH2 TIP3 1523 25.724 78.245 -6.545 1.00 0.00 WT3 O ATOM 38081 H1 TIP3 1523 25.790 77.883 -5.661 1.00 0.00 WT3 H ATOM 38082 H2 TIP3 1523 25.324 79.106 -6.422 1.00 0.00 WT3 H ATOM 38083 OH2 TIP3 1524 46.118 75.900 2.644 1.00 0.00 WT3 O ATOM 38084 H1 TIP3 1524 46.374 75.318 3.361 1.00 0.00 WT3 H ATOM 38085 H2 TIP3 1524 45.447 75.412 2.168 1.00 0.00 WT3 H ATOM 38086 OH2 TIP3 1525 57.426 74.199 6.286 1.00 0.00 WT3 O ATOM 38087 H1 TIP3 1525 56.951 73.461 6.669 1.00 0.00 WT3 H ATOM 38088 H2 TIP3 1525 57.250 74.931 6.876 1.00 0.00 WT3 H ATOM 38089 OH2 TIP3 1529 45.095 75.972 52.031 1.00 0.00 WT3 O ATOM 38090 H1 TIP3 1529 45.584 75.690 51.258 1.00 0.00 WT3 H ATOM 38091 H2 TIP3 1529 45.762 76.325 52.620 1.00 0.00 WT3 H ATOM 38092 OH2 TIP3 1530 88.427 68.417 38.422 1.00 0.00 WT3 O ATOM 38093 H1 TIP3 1530 88.740 68.861 39.209 1.00 0.00 WT3 H ATOM 38094 H2 TIP3 1530 89.076 68.628 37.752 1.00 0.00 WT3 H ATOM 38095 OH2 TIP3 1532 51.835 81.231 16.066 1.00 0.00 WT3 O ATOM 38096 H1 TIP3 1532 51.875 80.963 15.148 1.00 0.00 WT3 H ATOM 38097 H2 TIP3 1532 51.290 80.566 16.486 1.00 0.00 WT3 H ATOM 38098 OH2 TIP3 1533 72.156 73.764 11.141 1.00 0.00 WT3 O ATOM 38099 H1 TIP3 1533 71.502 73.212 10.712 1.00 0.00 WT3 H ATOM 38100 H2 TIP3 1533 72.256 73.383 12.014 1.00 0.00 WT3 H ATOM 38101 OH2 TIP3 1541 40.634 10.166 13.472 1.00 0.00 WT3 O ATOM 38102 H1 TIP3 1541 40.620 11.120 13.544 1.00 0.00 WT3 H ATOM 38103 H2 TIP3 1541 40.716 9.859 14.375 1.00 0.00 WT3 H ATOM 38104 OH2 TIP3 1542 85.202 66.299 5.501 1.00 0.00 WT3 O ATOM 38105 H1 TIP3 1542 84.611 65.815 6.078 1.00 0.00 WT3 H ATOM 38106 H2 TIP3 1542 85.793 65.634 5.150 1.00 0.00 WT3 H ATOM 38107 OH2 TIP3 1547 22.845 76.097 26.061 1.00 0.00 WT3 O ATOM 38108 H1 TIP3 1547 23.161 76.742 25.428 1.00 0.00 WT3 H ATOM 38109 H2 TIP3 1547 23.303 75.289 25.830 1.00 0.00 WT3 H ATOM 38110 OH2 TIP3 1548 64.222 21.489 22.267 1.00 0.00 WT3 O ATOM 38111 H1 TIP3 1548 63.955 21.994 23.034 1.00 0.00 WT3 H ATOM 38112 H2 TIP3 1548 63.627 21.772 21.573 1.00 0.00 WT3 H ATOM 38113 OH2 TIP3 1550 47.661 32.918 -12.330 1.00 0.00 WT3 O ATOM 38114 H1 TIP3 1550 48.006 32.028 -12.252 1.00 0.00 WT3 H ATOM 38115 H2 TIP3 1550 47.719 33.277 -11.445 1.00 0.00 WT3 H ATOM 38116 OH2 TIP3 1551 42.900 2.467 -6.648 1.00 0.00 WT3 O ATOM 38117 H1 TIP3 1551 43.744 2.899 -6.778 1.00 0.00 WT3 H ATOM 38118 H2 TIP3 1551 42.799 2.420 -5.697 1.00 0.00 WT3 H ATOM 38119 OH2 TIP3 1558 73.374 2.312 6.384 1.00 0.00 WT3 O ATOM 38120 H1 TIP3 1558 72.836 3.079 6.581 1.00 0.00 WT3 H ATOM 38121 H2 TIP3 1558 73.184 2.115 5.467 1.00 0.00 WT3 H ATOM 38122 OH2 TIP3 1559 60.994 23.250 56.778 1.00 0.00 WT3 O ATOM 38123 H1 TIP3 1559 61.460 23.016 55.975 1.00 0.00 WT3 H ATOM 38124 H2 TIP3 1559 60.171 23.634 56.474 1.00 0.00 WT3 H ATOM 38125 OH2 TIP3 1587 27.750 11.057 -1.027 1.00 0.00 WT3 O ATOM 38126 H1 TIP3 1587 26.830 11.014 -0.769 1.00 0.00 WT3 H ATOM 38127 H2 TIP3 1587 27.804 11.826 -1.595 1.00 0.00 WT3 H ATOM 38128 OH2 TIP3 1592 78.760 91.924 66.967 1.00 0.00 WT3 O ATOM 38129 H1 TIP3 1592 78.838 92.069 66.024 1.00 0.00 WT3 H ATOM 38130 H2 TIP3 1592 78.928 92.783 67.356 1.00 0.00 WT3 H ATOM 38131 OH2 TIP3 1593 72.179 31.729 -19.247 1.00 0.00 WT3 O ATOM 38132 H1 TIP3 1593 72.606 31.359 -20.020 1.00 0.00 WT3 H ATOM 38133 H2 TIP3 1593 72.258 31.048 -18.579 1.00 0.00 WT3 H ATOM 38134 OH2 TIP3 1609 38.490 88.065 63.667 1.00 0.00 WT3 O ATOM 38135 H1 TIP3 1609 38.011 88.357 62.892 1.00 0.00 WT3 H ATOM 38136 H2 TIP3 1609 39.408 88.062 63.395 1.00 0.00 WT3 H ATOM 38137 OH2 TIP3 1611 83.237 69.539 18.545 1.00 0.00 WT3 O ATOM 38138 H1 TIP3 1611 82.987 70.306 19.059 1.00 0.00 WT3 H ATOM 38139 H2 TIP3 1611 83.903 69.863 17.939 1.00 0.00 WT3 H ATOM 38140 OH2 TIP3 1618 69.360 22.128 3.482 1.00 0.00 WT3 O ATOM 38141 H1 TIP3 1618 68.488 22.452 3.258 1.00 0.00 WT3 H ATOM 38142 H2 TIP3 1618 69.415 22.224 4.433 1.00 0.00 WT3 H ATOM 38143 OH2 TIP3 1621 76.002 83.531 -5.996 1.00 0.00 WT3 O ATOM 38144 H1 TIP3 1621 75.258 83.238 -5.470 1.00 0.00 WT3 H ATOM 38145 H2 TIP3 1621 75.755 83.326 -6.898 1.00 0.00 WT3 H ATOM 38146 OH2 TIP3 1630 21.559 73.575 13.301 1.00 0.00 WT3 O ATOM 38147 H1 TIP3 1630 21.461 72.937 12.593 1.00 0.00 WT3 H ATOM 38148 H2 TIP3 1630 20.826 74.179 13.182 1.00 0.00 WT3 H ATOM 38149 OH2 TIP3 1650 65.201 18.077 6.372 1.00 0.00 WT3 O ATOM 38150 H1 TIP3 1650 64.291 18.051 6.666 1.00 0.00 WT3 H ATOM 38151 H2 TIP3 1650 65.716 17.976 7.172 1.00 0.00 WT3 H ATOM 38152 OH2 TIP3 1670 79.723 53.913 -7.678 1.00 0.00 WT3 O ATOM 38153 H1 TIP3 1670 79.165 53.480 -7.032 1.00 0.00 WT3 H ATOM 38154 H2 TIP3 1670 80.468 54.238 -7.172 1.00 0.00 WT3 H ATOM 38155 OH2 TIP3 1692 61.744 79.955 -1.243 1.00 0.00 WT3 O ATOM 38156 H1 TIP3 1692 61.088 80.543 -0.869 1.00 0.00 WT3 H ATOM 38157 H2 TIP3 1692 62.498 80.035 -0.659 1.00 0.00 WT3 H ATOM 38158 OH2 TIP3 1707 66.227 95.609 20.664 1.00 0.00 WT3 O ATOM 38159 H1 TIP3 1707 65.439 95.367 21.150 1.00 0.00 WT3 H ATOM 38160 H2 TIP3 1707 66.018 95.407 19.752 1.00 0.00 WT3 H ATOM 38161 OH2 TIP3 1711 30.464 84.108 56.920 1.00 0.00 WT3 O ATOM 38162 H1 TIP3 1711 30.460 84.787 56.246 1.00 0.00 WT3 H ATOM 38163 H2 TIP3 1711 30.805 83.331 56.475 1.00 0.00 WT3 H ATOM 38164 OH2 TIP3 1712 25.415 21.956 22.751 1.00 0.00 WT3 O ATOM 38165 H1 TIP3 1712 26.038 21.583 22.127 1.00 0.00 WT3 H ATOM 38166 H2 TIP3 1712 25.900 22.661 23.180 1.00 0.00 WT3 H ATOM 38167 OH2 TIP3 1714 38.617 10.633 59.859 1.00 0.00 WT3 O ATOM 38168 H1 TIP3 1714 38.442 9.712 60.054 1.00 0.00 WT3 H ATOM 38169 H2 TIP3 1714 39.351 10.863 60.428 1.00 0.00 WT3 H ATOM 38170 OH2 TIP3 1715 34.336 33.559 66.549 1.00 0.00 WT3 O ATOM 38171 H1 TIP3 1715 33.475 33.197 66.343 1.00 0.00 WT3 H ATOM 38172 H2 TIP3 1715 34.154 34.295 67.134 1.00 0.00 WT3 H ATOM 38173 OH2 TIP3 1718 66.934 59.751 15.015 1.00 0.00 WT3 O ATOM 38174 H1 TIP3 1718 66.732 58.861 14.728 1.00 0.00 WT3 H ATOM 38175 H2 TIP3 1718 66.536 59.821 15.882 1.00 0.00 WT3 H ATOM 38176 OH2 TIP3 1722 59.239 58.230 31.493 1.00 0.00 WT3 O ATOM 38177 H1 TIP3 1722 58.857 57.519 30.979 1.00 0.00 WT3 H ATOM 38178 H2 TIP3 1722 59.338 58.950 30.870 1.00 0.00 WT3 H ATOM 38179 OH2 TIP3 1723 79.163 44.347 64.433 1.00 0.00 WT3 O ATOM 38180 H1 TIP3 1723 79.142 44.829 63.606 1.00 0.00 WT3 H ATOM 38181 H2 TIP3 1723 78.564 43.613 64.298 1.00 0.00 WT3 H ATOM 38182 OH2 TIP3 1725 78.354 38.620 7.417 1.00 0.00 WT3 O ATOM 38183 H1 TIP3 1725 77.791 38.663 6.644 1.00 0.00 WT3 H ATOM 38184 H2 TIP3 1725 78.587 39.531 7.595 1.00 0.00 WT3 H ATOM 38185 OH2 TIP3 1727 36.380 74.153 -8.447 1.00 0.00 WT3 O ATOM 38186 H1 TIP3 1727 36.221 74.332 -7.521 1.00 0.00 WT3 H ATOM 38187 H2 TIP3 1727 36.786 74.953 -8.781 1.00 0.00 WT3 H ATOM 38188 OH2 TIP3 1729 31.635 13.354 14.774 1.00 0.00 WT3 O ATOM 38189 H1 TIP3 1729 31.188 14.148 15.069 1.00 0.00 WT3 H ATOM 38190 H2 TIP3 1729 32.517 13.425 15.141 1.00 0.00 WT3 H ATOM 38191 OH2 TIP3 1730 62.164 74.438 -10.108 1.00 0.00 WT3 O ATOM 38192 H1 TIP3 1730 62.955 74.337 -9.579 1.00 0.00 WT3 H ATOM 38193 H2 TIP3 1730 61.444 74.297 -9.493 1.00 0.00 WT3 H ATOM 38194 OH2 TIP3 1733 45.271 71.890 -12.311 1.00 0.00 WT3 O ATOM 38195 H1 TIP3 1733 44.875 71.095 -11.954 1.00 0.00 WT3 H ATOM 38196 H2 TIP3 1733 44.706 72.130 -13.046 1.00 0.00 WT3 H ATOM 38197 OH2 TIP3 1736 62.672 66.313 45.795 1.00 0.00 WT3 O ATOM 38198 H1 TIP3 1736 61.780 65.980 45.693 1.00 0.00 WT3 H ATOM 38199 H2 TIP3 1736 63.231 65.548 45.658 1.00 0.00 WT3 H ATOM 38200 OH2 TIP3 1741 57.719 91.678 22.701 1.00 0.00 WT3 O ATOM 38201 H1 TIP3 1741 57.691 90.746 22.484 1.00 0.00 WT3 H ATOM 38202 H2 TIP3 1741 57.380 92.117 21.921 1.00 0.00 WT3 H ATOM 38203 OH2 TIP3 1744 33.024 41.885 -6.897 1.00 0.00 WT3 O ATOM 38204 H1 TIP3 1744 32.763 42.804 -6.836 1.00 0.00 WT3 H ATOM 38205 H2 TIP3 1744 32.269 41.399 -6.563 1.00 0.00 WT3 H ATOM 38206 OH2 TIP3 1746 52.900 67.243 -11.773 1.00 0.00 WT3 O ATOM 38207 H1 TIP3 1746 52.175 67.243 -11.148 1.00 0.00 WT3 H ATOM 38208 H2 TIP3 1746 53.098 66.316 -11.911 1.00 0.00 WT3 H ATOM 38209 OH2 TIP3 1748 82.796 10.712 -10.697 1.00 0.00 WT3 O ATOM 38210 H1 TIP3 1748 83.085 10.529 -11.591 1.00 0.00 WT3 H ATOM 38211 H2 TIP3 1748 83.202 11.551 -10.480 1.00 0.00 WT3 H ATOM 38212 OH2 TIP3 1750 44.683 48.365 55.389 1.00 0.00 WT3 O ATOM 38213 H1 TIP3 1750 44.235 49.115 55.782 1.00 0.00 WT3 H ATOM 38214 H2 TIP3 1750 45.447 48.743 54.954 1.00 0.00 WT3 H ATOM 38215 OH2 TIP3 1752 58.295 81.471 23.303 1.00 0.00 WT3 O ATOM 38216 H1 TIP3 1752 57.694 80.863 22.873 1.00 0.00 WT3 H ATOM 38217 H2 TIP3 1752 58.152 81.330 24.239 1.00 0.00 WT3 H ATOM 38218 OH2 TIP3 1755 49.671 64.146 15.133 1.00 0.00 WT3 O ATOM 38219 H1 TIP3 1755 50.478 64.254 14.631 1.00 0.00 WT3 H ATOM 38220 H2 TIP3 1755 49.718 63.253 15.475 1.00 0.00 WT3 H ATOM 38221 OH2 TIP3 1756 66.995 82.646 49.186 1.00 0.00 WT3 O ATOM 38222 H1 TIP3 1756 67.637 82.084 48.753 1.00 0.00 WT3 H ATOM 38223 H2 TIP3 1756 66.856 83.369 48.573 1.00 0.00 WT3 H ATOM 38224 OH2 TIP3 1757 75.420 88.886 -2.627 1.00 0.00 WT3 O ATOM 38225 H1 TIP3 1757 74.895 89.334 -1.964 1.00 0.00 WT3 H ATOM 38226 H2 TIP3 1757 75.085 89.214 -3.461 1.00 0.00 WT3 H ATOM 38227 OH2 TIP3 1764 65.042 65.122 25.162 1.00 0.00 WT3 O ATOM 38228 H1 TIP3 1764 64.571 65.330 24.355 1.00 0.00 WT3 H ATOM 38229 H2 TIP3 1764 64.518 64.436 25.575 1.00 0.00 WT3 H ATOM 38230 OH2 TIP3 1766 34.364 81.232 -19.484 1.00 0.00 WT3 O ATOM 38231 H1 TIP3 1766 34.176 81.994 -18.936 1.00 0.00 WT3 H ATOM 38232 H2 TIP3 1766 33.533 80.762 -19.534 1.00 0.00 WT3 H ATOM 38233 OH2 TIP3 1768 47.069 71.526 29.366 1.00 0.00 WT3 O ATOM 38234 H1 TIP3 1768 47.861 71.336 29.867 1.00 0.00 WT3 H ATOM 38235 H2 TIP3 1768 47.075 70.885 28.655 1.00 0.00 WT3 H ATOM 38236 OH2 TIP3 1771 28.655 63.448 17.523 1.00 0.00 WT3 O ATOM 38237 H1 TIP3 1771 29.429 63.396 16.963 1.00 0.00 WT3 H ATOM 38238 H2 TIP3 1771 28.165 62.648 17.331 1.00 0.00 WT3 H ATOM 38239 OH2 TIP3 1772 41.192 49.759 9.232 1.00 0.00 WT3 O ATOM 38240 H1 TIP3 1772 41.907 50.329 8.948 1.00 0.00 WT3 H ATOM 38241 H2 TIP3 1772 41.564 49.249 9.951 1.00 0.00 WT3 H ATOM 38242 OH2 TIP3 1773 86.249 40.673 35.934 1.00 0.00 WT3 O ATOM 38243 H1 TIP3 1773 86.078 41.531 35.546 1.00 0.00 WT3 H ATOM 38244 H2 TIP3 1773 87.192 40.669 36.101 1.00 0.00 WT3 H ATOM 38245 OH2 TIP3 1775 27.231 26.084 -15.294 1.00 0.00 WT3 O ATOM 38246 H1 TIP3 1775 27.887 26.229 -14.612 1.00 0.00 WT3 H ATOM 38247 H2 TIP3 1775 27.267 25.143 -15.465 1.00 0.00 WT3 H ATOM 38248 OH2 TIP3 1776 79.173 80.941 28.882 1.00 0.00 WT3 O ATOM 38249 H1 TIP3 1776 78.362 80.832 29.379 1.00 0.00 WT3 H ATOM 38250 H2 TIP3 1776 79.846 81.080 29.548 1.00 0.00 WT3 H ATOM 38251 OH2 TIP3 1778 84.693 91.238 -17.158 1.00 0.00 WT3 O ATOM 38252 H1 TIP3 1778 84.203 91.196 -17.980 1.00 0.00 WT3 H ATOM 38253 H2 TIP3 1778 84.920 90.328 -16.968 1.00 0.00 WT3 H ATOM 38254 OH2 TIP3 1779 56.471 76.568 49.915 1.00 0.00 WT3 O ATOM 38255 H1 TIP3 1779 56.285 77.237 49.257 1.00 0.00 WT3 H ATOM 38256 H2 TIP3 1779 55.610 76.294 50.229 1.00 0.00 WT3 H ATOM 38257 OH2 TIP3 1782 44.179 59.522 57.543 1.00 0.00 WT3 O ATOM 38258 H1 TIP3 1782 43.718 59.990 56.847 1.00 0.00 WT3 H ATOM 38259 H2 TIP3 1782 44.302 58.638 57.198 1.00 0.00 WT3 H ATOM 38260 OH2 TIP3 1786 43.619 3.820 20.014 1.00 0.00 WT3 O ATOM 38261 H1 TIP3 1786 43.666 4.241 19.156 1.00 0.00 WT3 H ATOM 38262 H2 TIP3 1786 42.819 3.296 19.981 1.00 0.00 WT3 H ATOM 38263 OH2 TIP3 1788 45.363 57.066 53.746 1.00 0.00 WT3 O ATOM 38264 H1 TIP3 1788 44.887 57.267 54.552 1.00 0.00 WT3 H ATOM 38265 H2 TIP3 1788 44.862 57.502 53.056 1.00 0.00 WT3 H ATOM 38266 OH2 TIP3 1789 45.177 5.253 53.065 1.00 0.00 WT3 O ATOM 38267 H1 TIP3 1789 45.412 5.736 52.273 1.00 0.00 WT3 H ATOM 38268 H2 TIP3 1789 44.318 4.877 52.871 1.00 0.00 WT3 H ATOM 38269 OH2 TIP3 1790 79.201 73.993 -2.900 1.00 0.00 WT3 O ATOM 38270 H1 TIP3 1790 78.670 74.618 -2.406 1.00 0.00 WT3 H ATOM 38271 H2 TIP3 1790 79.328 73.259 -2.300 1.00 0.00 WT3 H ATOM 38272 OH2 TIP3 1794 52.733 10.566 28.850 1.00 0.00 WT3 O ATOM 38273 H1 TIP3 1794 52.822 11.433 28.454 1.00 0.00 WT3 H ATOM 38274 H2 TIP3 1794 52.782 9.958 28.112 1.00 0.00 WT3 H ATOM 38275 OH2 TIP3 1795 57.737 71.629 42.836 1.00 0.00 WT3 O ATOM 38276 H1 TIP3 1795 57.729 71.662 43.793 1.00 0.00 WT3 H ATOM 38277 H2 TIP3 1795 56.981 71.087 42.609 1.00 0.00 WT3 H ATOM 38278 OH2 TIP3 1796 83.594 54.268 64.370 1.00 0.00 WT3 O ATOM 38279 H1 TIP3 1796 82.668 54.289 64.614 1.00 0.00 WT3 H ATOM 38280 H2 TIP3 1796 83.966 53.563 64.900 1.00 0.00 WT3 H ATOM 38281 OH2 TIP3 1798 66.497 44.805 29.684 1.00 0.00 WT3 O ATOM 38282 H1 TIP3 1798 66.961 45.400 29.096 1.00 0.00 WT3 H ATOM 38283 H2 TIP3 1798 65.573 45.031 29.575 1.00 0.00 WT3 H ATOM 38284 OH2 TIP3 1800 33.685 71.561 28.707 1.00 0.00 WT3 O ATOM 38285 H1 TIP3 1800 34.548 71.364 29.070 1.00 0.00 WT3 H ATOM 38286 H2 TIP3 1800 33.085 70.997 29.195 1.00 0.00 WT3 H ATOM 38287 OH2 TIP3 1804 90.520 17.014 -8.134 1.00 0.00 WT3 O ATOM 38288 H1 TIP3 1804 90.426 16.206 -7.629 1.00 0.00 WT3 H ATOM 38289 H2 TIP3 1804 90.170 17.697 -7.562 1.00 0.00 WT3 H ATOM 38290 OH2 TIP3 1805 58.510 95.183 -19.063 1.00 0.00 WT3 O ATOM 38291 H1 TIP3 1805 57.700 94.948 -18.610 1.00 0.00 WT3 H ATOM 38292 H2 TIP3 1805 58.316 96.022 -19.481 1.00 0.00 WT3 H ATOM 38293 OH2 TIP3 1808 54.940 29.922 -3.355 1.00 0.00 WT3 O ATOM 38294 H1 TIP3 1808 55.202 30.690 -3.864 1.00 0.00 WT3 H ATOM 38295 H2 TIP3 1808 54.098 30.164 -2.970 1.00 0.00 WT3 H ATOM 38296 OH2 TIP3 1810 41.553 23.297 64.763 1.00 0.00 WT3 O ATOM 38297 H1 TIP3 1810 41.803 22.380 64.877 1.00 0.00 WT3 H ATOM 38298 H2 TIP3 1810 42.383 23.773 64.760 1.00 0.00 WT3 H ATOM 38299 OH2 TIP3 1811 32.272 92.188 41.553 1.00 0.00 WT3 O ATOM 38300 H1 TIP3 1811 33.132 92.048 41.949 1.00 0.00 WT3 H ATOM 38301 H2 TIP3 1811 31.835 91.340 41.622 1.00 0.00 WT3 H ATOM 38302 OH2 TIP3 1812 37.811 48.306 67.087 1.00 0.00 WT3 O ATOM 38303 H1 TIP3 1812 38.207 47.466 66.855 1.00 0.00 WT3 H ATOM 38304 H2 TIP3 1812 37.636 48.729 66.247 1.00 0.00 WT3 H ATOM 38305 OH2 TIP3 1813 84.062 11.675 59.235 1.00 0.00 WT3 O ATOM 38306 H1 TIP3 1813 83.116 11.698 59.093 1.00 0.00 WT3 H ATOM 38307 H2 TIP3 1813 84.432 12.081 58.451 1.00 0.00 WT3 H ATOM 38308 OH2 TIP3 1814 31.405 52.797 17.803 1.00 0.00 WT3 O ATOM 38309 H1 TIP3 1814 31.699 53.641 17.459 1.00 0.00 WT3 H ATOM 38310 H2 TIP3 1814 31.411 52.214 17.044 1.00 0.00 WT3 H ATOM 38311 OH2 TIP3 1815 89.311 74.191 16.565 1.00 0.00 WT3 O ATOM 38312 H1 TIP3 1815 89.227 74.872 15.898 1.00 0.00 WT3 H ATOM 38313 H2 TIP3 1815 88.885 73.425 16.181 1.00 0.00 WT3 H ATOM 38314 OH2 TIP3 1816 49.953 95.630 60.037 1.00 0.00 WT3 O ATOM 38315 H1 TIP3 1816 48.999 95.597 60.107 1.00 0.00 WT3 H ATOM 38316 H2 TIP3 1816 50.170 96.555 60.148 1.00 0.00 WT3 H ATOM 38317 OH2 TIP3 1817 52.999 10.779 63.199 1.00 0.00 WT3 O ATOM 38318 H1 TIP3 1817 52.549 11.019 62.389 1.00 0.00 WT3 H ATOM 38319 H2 TIP3 1817 53.351 11.605 63.532 1.00 0.00 WT3 H ATOM 38320 OH2 TIP3 1818 86.300 29.741 36.627 1.00 0.00 WT3 O ATOM 38321 H1 TIP3 1818 87.145 30.105 36.891 1.00 0.00 WT3 H ATOM 38322 H2 TIP3 1818 86.460 29.367 35.760 1.00 0.00 WT3 H ATOM 38323 OH2 TIP3 1819 52.403 77.037 -10.575 1.00 0.00 WT3 O ATOM 38324 H1 TIP3 1819 52.110 76.614 -9.768 1.00 0.00 WT3 H ATOM 38325 H2 TIP3 1819 53.321 77.253 -10.413 1.00 0.00 WT3 H ATOM 38326 OH2 TIP3 1820 31.165 60.670 35.461 1.00 0.00 WT3 O ATOM 38327 H1 TIP3 1820 31.980 61.084 35.744 1.00 0.00 WT3 H ATOM 38328 H2 TIP3 1820 31.270 59.748 35.694 1.00 0.00 WT3 H ATOM 38329 OH2 TIP3 1821 48.485 84.018 2.460 1.00 0.00 WT3 O ATOM 38330 H1 TIP3 1821 47.853 84.117 3.173 1.00 0.00 WT3 H ATOM 38331 H2 TIP3 1821 47.971 83.673 1.730 1.00 0.00 WT3 H ATOM 38332 OH2 TIP3 1824 32.071 85.990 27.732 1.00 0.00 WT3 O ATOM 38333 H1 TIP3 1824 31.992 85.248 28.332 1.00 0.00 WT3 H ATOM 38334 H2 TIP3 1824 32.797 85.755 27.154 1.00 0.00 WT3 H ATOM 38335 OH2 TIP3 1825 51.229 50.252 53.234 1.00 0.00 WT3 O ATOM 38336 H1 TIP3 1825 50.622 50.992 53.205 1.00 0.00 WT3 H ATOM 38337 H2 TIP3 1825 51.539 50.160 52.333 1.00 0.00 WT3 H ATOM 38338 OH2 TIP3 1828 61.925 50.862 15.369 1.00 0.00 WT3 O ATOM 38339 H1 TIP3 1828 61.541 51.451 16.018 1.00 0.00 WT3 H ATOM 38340 H2 TIP3 1828 62.154 50.075 15.863 1.00 0.00 WT3 H ATOM 38341 OH2 TIP3 1829 46.046 78.587 -16.748 1.00 0.00 WT3 O ATOM 38342 H1 TIP3 1829 46.894 78.187 -16.558 1.00 0.00 WT3 H ATOM 38343 H2 TIP3 1829 46.138 78.935 -17.635 1.00 0.00 WT3 H ATOM 38344 OH2 TIP3 1830 48.736 29.476 -1.117 1.00 0.00 WT3 O ATOM 38345 H1 TIP3 1830 48.742 29.084 -0.243 1.00 0.00 WT3 H ATOM 38346 H2 TIP3 1830 47.958 30.033 -1.125 1.00 0.00 WT3 H ATOM 38347 OH2 TIP3 1831 36.371 41.845 9.133 1.00 0.00 WT3 O ATOM 38348 H1 TIP3 1831 37.028 42.003 9.811 1.00 0.00 WT3 H ATOM 38349 H2 TIP3 1831 35.549 42.141 9.522 1.00 0.00 WT3 H ATOM 38350 OH2 TIP3 1832 85.333 2.456 5.982 1.00 0.00 WT3 O ATOM 38351 H1 TIP3 1832 85.709 2.964 6.701 1.00 0.00 WT3 H ATOM 38352 H2 TIP3 1832 85.361 3.047 5.230 1.00 0.00 WT3 H ATOM 38353 OH2 TIP3 1833 66.426 10.671 44.301 1.00 0.00 WT3 O ATOM 38354 H1 TIP3 1833 66.154 9.754 44.330 1.00 0.00 WT3 H ATOM 38355 H2 TIP3 1833 66.021 11.016 43.506 1.00 0.00 WT3 H ATOM 38356 OH2 TIP3 1835 74.500 56.909 65.118 1.00 0.00 WT3 O ATOM 38357 H1 TIP3 1835 75.038 56.510 64.434 1.00 0.00 WT3 H ATOM 38358 H2 TIP3 1835 74.974 56.731 65.931 1.00 0.00 WT3 H ATOM 38359 OH2 TIP3 1836 27.263 92.660 55.552 1.00 0.00 WT3 O ATOM 38360 H1 TIP3 1836 27.858 91.935 55.356 1.00 0.00 WT3 H ATOM 38361 H2 TIP3 1836 27.646 93.413 55.101 1.00 0.00 WT3 H ATOM 38362 OH2 TIP3 1837 40.183 1.956 58.710 1.00 0.00 WT3 O ATOM 38363 H1 TIP3 1837 39.567 1.870 59.437 1.00 0.00 WT3 H ATOM 38364 H2 TIP3 1837 39.762 1.497 57.983 1.00 0.00 WT3 H ATOM 38365 OH2 TIP3 1838 76.820 24.270 61.343 1.00 0.00 WT3 O ATOM 38366 H1 TIP3 1838 76.938 25.183 61.605 1.00 0.00 WT3 H ATOM 38367 H2 TIP3 1838 76.210 23.912 61.987 1.00 0.00 WT3 H ATOM 38368 OH2 TIP3 1839 24.336 71.752 21.233 1.00 0.00 WT3 O ATOM 38369 H1 TIP3 1839 24.266 70.807 21.363 1.00 0.00 WT3 H ATOM 38370 H2 TIP3 1839 23.563 71.981 20.717 1.00 0.00 WT3 H ATOM 38371 OH2 TIP3 1840 65.761 81.027 14.937 1.00 0.00 WT3 O ATOM 38372 H1 TIP3 1840 66.033 80.168 15.260 1.00 0.00 WT3 H ATOM 38373 H2 TIP3 1840 66.582 81.492 14.775 1.00 0.00 WT3 H ATOM 38374 OH2 TIP3 1841 90.015 91.996 63.421 1.00 0.00 WT3 O ATOM 38375 H1 TIP3 1841 89.937 92.948 63.357 1.00 0.00 WT3 H ATOM 38376 H2 TIP3 1841 90.946 91.842 63.583 1.00 0.00 WT3 H ATOM 38377 OH2 TIP3 1842 72.124 94.028 14.806 1.00 0.00 WT3 O ATOM 38378 H1 TIP3 1842 72.213 93.929 15.754 1.00 0.00 WT3 H ATOM 38379 H2 TIP3 1842 71.279 94.461 14.688 1.00 0.00 WT3 H ATOM 38380 OH2 TIP3 1843 45.168 33.350 35.556 1.00 0.00 WT3 O ATOM 38381 H1 TIP3 1843 46.068 33.131 35.797 1.00 0.00 WT3 H ATOM 38382 H2 TIP3 1843 45.190 34.289 35.372 1.00 0.00 WT3 H ATOM 38383 OH2 TIP3 1844 46.211 66.852 34.030 1.00 0.00 WT3 O ATOM 38384 H1 TIP3 1844 46.444 66.248 34.735 1.00 0.00 WT3 H ATOM 38385 H2 TIP3 1844 45.985 66.284 33.293 1.00 0.00 WT3 H ATOM 38386 OH2 TIP3 1845 74.052 44.842 27.652 1.00 0.00 WT3 O ATOM 38387 H1 TIP3 1845 73.937 45.743 27.956 1.00 0.00 WT3 H ATOM 38388 H2 TIP3 1845 74.666 44.913 26.921 1.00 0.00 WT3 H ATOM 38389 OH2 TIP3 1846 67.551 53.606 -17.592 1.00 0.00 WT3 O ATOM 38390 H1 TIP3 1846 67.688 53.869 -18.503 1.00 0.00 WT3 H ATOM 38391 H2 TIP3 1846 66.604 53.490 -17.516 1.00 0.00 WT3 H ATOM 38392 OH2 TIP3 1847 75.830 23.711 -9.617 1.00 0.00 WT3 O ATOM 38393 H1 TIP3 1847 76.248 23.440 -8.799 1.00 0.00 WT3 H ATOM 38394 H2 TIP3 1847 75.895 22.945 -10.186 1.00 0.00 WT3 H ATOM 38395 OH2 TIP3 1848 49.412 87.849 -3.122 1.00 0.00 WT3 O ATOM 38396 H1 TIP3 1848 49.411 88.564 -2.485 1.00 0.00 WT3 H ATOM 38397 H2 TIP3 1848 48.613 87.981 -3.632 1.00 0.00 WT3 H ATOM 38398 OH2 TIP3 1850 45.929 29.613 -2.831 1.00 0.00 WT3 O ATOM 38399 H1 TIP3 1850 46.364 30.407 -3.141 1.00 0.00 WT3 H ATOM 38400 H2 TIP3 1850 46.607 28.938 -2.866 1.00 0.00 WT3 H ATOM 38401 OH2 TIP3 1851 55.688 80.172 32.269 1.00 0.00 WT3 O ATOM 38402 H1 TIP3 1851 55.033 79.602 32.671 1.00 0.00 WT3 H ATOM 38403 H2 TIP3 1851 55.807 79.817 31.388 1.00 0.00 WT3 H ATOM 38404 OH2 TIP3 1852 78.237 91.434 21.475 1.00 0.00 WT3 O ATOM 38405 H1 TIP3 1852 78.047 92.345 21.698 1.00 0.00 WT3 H ATOM 38406 H2 TIP3 1852 77.811 90.924 22.164 1.00 0.00 WT3 H ATOM 38407 OH2 TIP3 1853 74.156 47.638 28.219 1.00 0.00 WT3 O ATOM 38408 H1 TIP3 1853 73.436 48.010 28.727 1.00 0.00 WT3 H ATOM 38409 H2 TIP3 1853 74.125 48.103 27.383 1.00 0.00 WT3 H ATOM 38410 OH2 TIP3 1854 21.365 96.140 -19.577 1.00 0.00 WT3 O ATOM 38411 H1 TIP3 1854 21.990 96.581 -19.002 1.00 0.00 WT3 H ATOM 38412 H2 TIP3 1854 21.910 95.663 -20.203 1.00 0.00 WT3 H ATOM 38413 OH2 TIP3 1856 86.742 61.840 6.092 1.00 0.00 WT3 O ATOM 38414 H1 TIP3 1856 86.778 62.709 5.692 1.00 0.00 WT3 H ATOM 38415 H2 TIP3 1856 87.571 61.428 5.847 1.00 0.00 WT3 H ATOM 38416 OH2 TIP3 1857 31.895 82.710 34.943 1.00 0.00 WT3 O ATOM 38417 H1 TIP3 1857 31.978 81.921 35.478 1.00 0.00 WT3 H ATOM 38418 H2 TIP3 1857 31.128 82.549 34.395 1.00 0.00 WT3 H ATOM 38419 OH2 TIP3 1858 24.500 7.996 -8.205 1.00 0.00 WT3 O ATOM 38420 H1 TIP3 1858 24.340 7.499 -9.007 1.00 0.00 WT3 H ATOM 38421 H2 TIP3 1858 24.019 8.814 -8.329 1.00 0.00 WT3 H ATOM 38422 OH2 TIP3 1859 56.912 56.247 -2.465 1.00 0.00 WT3 O ATOM 38423 H1 TIP3 1859 57.005 57.169 -2.225 1.00 0.00 WT3 H ATOM 38424 H2 TIP3 1859 57.563 55.794 -1.929 1.00 0.00 WT3 H ATOM 38425 OH2 TIP3 1860 83.968 66.751 -18.405 1.00 0.00 WT3 O ATOM 38426 H1 TIP3 1860 83.947 67.179 -19.261 1.00 0.00 WT3 H ATOM 38427 H2 TIP3 1860 84.320 67.415 -17.813 1.00 0.00 WT3 H ATOM 38428 OH2 TIP3 1861 39.373 6.105 9.233 1.00 0.00 WT3 O ATOM 38429 H1 TIP3 1861 38.579 6.003 9.758 1.00 0.00 WT3 H ATOM 38430 H2 TIP3 1861 39.211 6.886 8.703 1.00 0.00 WT3 H ATOM 38431 OH2 TIP3 1863 34.519 60.474 3.582 1.00 0.00 WT3 O ATOM 38432 H1 TIP3 1863 34.832 60.613 2.688 1.00 0.00 WT3 H ATOM 38433 H2 TIP3 1863 35.254 60.737 4.137 1.00 0.00 WT3 H ATOM 38434 OH2 TIP3 1864 44.659 62.805 -10.096 1.00 0.00 WT3 O ATOM 38435 H1 TIP3 1864 44.121 62.560 -9.343 1.00 0.00 WT3 H ATOM 38436 H2 TIP3 1864 44.604 62.054 -10.686 1.00 0.00 WT3 H ATOM 38437 OH2 TIP3 1866 54.085 68.744 51.615 1.00 0.00 WT3 O ATOM 38438 H1 TIP3 1866 54.270 69.613 51.969 1.00 0.00 WT3 H ATOM 38439 H2 TIP3 1866 54.180 68.846 50.668 1.00 0.00 WT3 H ATOM 38440 OH2 TIP3 1869 81.357 83.674 5.381 1.00 0.00 WT3 O ATOM 38441 H1 TIP3 1869 80.905 83.453 4.567 1.00 0.00 WT3 H ATOM 38442 H2 TIP3 1869 81.981 82.959 5.510 1.00 0.00 WT3 H ATOM 38443 OH2 TIP3 1870 75.447 65.006 32.815 1.00 0.00 WT3 O ATOM 38444 H1 TIP3 1870 75.293 64.305 33.448 1.00 0.00 WT3 H ATOM 38445 H2 TIP3 1870 75.069 64.679 31.999 1.00 0.00 WT3 H ATOM 38446 OH2 TIP3 1871 23.867 61.784 35.897 1.00 0.00 WT3 O ATOM 38447 H1 TIP3 1871 24.530 61.167 35.588 1.00 0.00 WT3 H ATOM 38448 H2 TIP3 1871 23.992 62.562 35.354 1.00 0.00 WT3 H ATOM 38449 OH2 TIP3 1872 75.869 49.211 17.297 1.00 0.00 WT3 O ATOM 38450 H1 TIP3 1872 75.278 49.387 16.565 1.00 0.00 WT3 H ATOM 38451 H2 TIP3 1872 75.512 49.724 18.022 1.00 0.00 WT3 H ATOM 38452 OH2 TIP3 1873 77.358 93.936 61.407 1.00 0.00 WT3 O ATOM 38453 H1 TIP3 1873 77.982 93.210 61.419 1.00 0.00 WT3 H ATOM 38454 H2 TIP3 1873 76.506 93.518 61.284 1.00 0.00 WT3 H ATOM 38455 OH2 TIP3 1874 23.268 70.113 -9.967 1.00 0.00 WT3 O ATOM 38456 H1 TIP3 1874 22.708 69.717 -9.299 1.00 0.00 WT3 H ATOM 38457 H2 TIP3 1874 24.088 69.622 -9.913 1.00 0.00 WT3 H ATOM 38458 OH2 TIP3 1875 41.209 68.976 -6.329 1.00 0.00 WT3 O ATOM 38459 H1 TIP3 1875 40.554 68.399 -5.937 1.00 0.00 WT3 H ATOM 38460 H2 TIP3 1875 42.048 68.625 -6.031 1.00 0.00 WT3 H ATOM 38461 OH2 TIP3 1876 33.849 14.576 -7.863 1.00 0.00 WT3 O ATOM 38462 H1 TIP3 1876 33.039 14.121 -8.092 1.00 0.00 WT3 H ATOM 38463 H2 TIP3 1876 33.666 15.498 -8.043 1.00 0.00 WT3 H ATOM 38464 OH2 TIP3 1878 76.523 88.288 63.269 1.00 0.00 WT3 O ATOM 38465 H1 TIP3 1878 77.009 87.966 62.510 1.00 0.00 WT3 H ATOM 38466 H2 TIP3 1878 77.044 89.023 63.593 1.00 0.00 WT3 H ATOM 38467 OH2 TIP3 1879 41.305 71.484 -16.749 1.00 0.00 WT3 O ATOM 38468 H1 TIP3 1879 41.264 70.637 -16.305 1.00 0.00 WT3 H ATOM 38469 H2 TIP3 1879 40.417 71.834 -16.680 1.00 0.00 WT3 H ATOM 38470 OH2 TIP3 1880 63.624 88.017 5.551 1.00 0.00 WT3 O ATOM 38471 H1 TIP3 1880 63.009 87.391 5.933 1.00 0.00 WT3 H ATOM 38472 H2 TIP3 1880 63.151 88.399 4.812 1.00 0.00 WT3 H ATOM 38473 OH2 TIP3 1881 31.184 55.663 -13.196 1.00 0.00 WT3 O ATOM 38474 H1 TIP3 1881 31.654 55.208 -13.895 1.00 0.00 WT3 H ATOM 38475 H2 TIP3 1881 31.848 56.208 -12.775 1.00 0.00 WT3 H ATOM 38476 OH2 TIP3 1882 49.069 67.591 33.019 1.00 0.00 WT3 O ATOM 38477 H1 TIP3 1882 48.250 67.293 33.414 1.00 0.00 WT3 H ATOM 38478 H2 TIP3 1882 49.646 67.766 33.763 1.00 0.00 WT3 H ATOM 38479 OH2 TIP3 1883 83.794 32.709 48.907 1.00 0.00 WT3 O ATOM 38480 H1 TIP3 1883 84.070 32.877 49.809 1.00 0.00 WT3 H ATOM 38481 H2 TIP3 1883 83.791 31.755 48.831 1.00 0.00 WT3 H ATOM 38482 OH2 TIP3 1885 47.997 86.221 38.322 1.00 0.00 WT3 O ATOM 38483 H1 TIP3 1885 47.471 86.634 39.007 1.00 0.00 WT3 H ATOM 38484 H2 TIP3 1885 47.447 86.261 37.540 1.00 0.00 WT3 H ATOM 38485 OH2 TIP3 1886 42.255 16.358 60.036 1.00 0.00 WT3 O ATOM 38486 H1 TIP3 1886 41.572 15.842 60.464 1.00 0.00 WT3 H ATOM 38487 H2 TIP3 1886 41.778 17.017 59.532 1.00 0.00 WT3 H ATOM 38488 OH2 TIP3 1887 21.328 72.062 -6.774 1.00 0.00 WT3 O ATOM 38489 H1 TIP3 1887 20.689 71.364 -6.630 1.00 0.00 WT3 H ATOM 38490 H2 TIP3 1887 21.082 72.746 -6.151 1.00 0.00 WT3 H ATOM 38491 OH2 TIP3 1888 59.325 95.086 49.484 1.00 0.00 WT3 O ATOM 38492 H1 TIP3 1888 58.668 94.826 50.129 1.00 0.00 WT3 H ATOM 38493 H2 TIP3 1888 58.832 95.201 48.672 1.00 0.00 WT3 H ATOM 38494 OH2 TIP3 1889 37.161 64.601 48.960 1.00 0.00 WT3 O ATOM 38495 H1 TIP3 1889 38.045 64.563 49.324 1.00 0.00 WT3 H ATOM 38496 H2 TIP3 1889 37.293 64.722 48.020 1.00 0.00 WT3 H ATOM 38497 OH2 TIP3 1890 73.989 57.627 14.079 1.00 0.00 WT3 O ATOM 38498 H1 TIP3 1890 74.416 56.775 13.998 1.00 0.00 WT3 H ATOM 38499 H2 TIP3 1890 73.213 57.561 13.522 1.00 0.00 WT3 H ATOM 38500 OH2 TIP3 1891 27.054 34.620 -14.536 1.00 0.00 WT3 O ATOM 38501 H1 TIP3 1891 27.885 34.194 -14.748 1.00 0.00 WT3 H ATOM 38502 H2 TIP3 1891 27.229 35.098 -13.726 1.00 0.00 WT3 H ATOM 38503 OH2 TIP3 1893 45.129 5.884 32.626 1.00 0.00 WT3 O ATOM 38504 H1 TIP3 1893 45.924 5.731 33.136 1.00 0.00 WT3 H ATOM 38505 H2 TIP3 1893 44.465 6.109 33.278 1.00 0.00 WT3 H ATOM 38506 OH2 TIP3 1894 90.218 88.168 -7.561 1.00 0.00 WT3 O ATOM 38507 H1 TIP3 1894 90.298 89.104 -7.742 1.00 0.00 WT3 H ATOM 38508 H2 TIP3 1894 90.946 87.768 -8.037 1.00 0.00 WT3 H ATOM 38509 OH2 TIP3 1895 45.757 18.149 51.367 1.00 0.00 WT3 O ATOM 38510 H1 TIP3 1895 44.854 18.352 51.122 1.00 0.00 WT3 H ATOM 38511 H2 TIP3 1895 45.793 17.192 51.379 1.00 0.00 WT3 H ATOM 38512 OH2 TIP3 1896 76.492 64.289 66.941 1.00 0.00 WT3 O ATOM 38513 H1 TIP3 1896 76.073 63.633 67.499 1.00 0.00 WT3 H ATOM 38514 H2 TIP3 1896 76.018 64.236 66.111 1.00 0.00 WT3 H ATOM 38515 OH2 TIP3 1897 35.699 75.340 15.363 1.00 0.00 WT3 O ATOM 38516 H1 TIP3 1897 35.848 74.869 16.183 1.00 0.00 WT3 H ATOM 38517 H2 TIP3 1897 35.401 74.668 14.751 1.00 0.00 WT3 H ATOM 38518 OH2 TIP3 1898 84.543 67.994 28.625 1.00 0.00 WT3 O ATOM 38519 H1 TIP3 1898 85.195 68.304 29.253 1.00 0.00 WT3 H ATOM 38520 H2 TIP3 1898 84.614 67.040 28.656 1.00 0.00 WT3 H ATOM 38521 OH2 TIP3 1899 31.756 71.897 -0.031 1.00 0.00 WT3 O ATOM 38522 H1 TIP3 1899 31.791 71.547 0.860 1.00 0.00 WT3 H ATOM 38523 H2 TIP3 1899 32.670 71.923 -0.314 1.00 0.00 WT3 H ATOM 38524 OH2 TIP3 1900 54.365 60.655 55.510 1.00 0.00 WT3 O ATOM 38525 H1 TIP3 1900 54.450 59.921 54.901 1.00 0.00 WT3 H ATOM 38526 H2 TIP3 1900 53.425 60.835 55.539 1.00 0.00 WT3 H ATOM 38527 OH2 TIP3 1901 27.872 86.561 62.929 1.00 0.00 WT3 O ATOM 38528 H1 TIP3 1901 27.956 87.508 62.819 1.00 0.00 WT3 H ATOM 38529 H2 TIP3 1901 28.467 86.190 62.277 1.00 0.00 WT3 H ATOM 38530 OH2 TIP3 1902 28.522 64.901 26.902 1.00 0.00 WT3 O ATOM 38531 H1 TIP3 1902 29.264 64.986 27.500 1.00 0.00 WT3 H ATOM 38532 H2 TIP3 1902 27.774 64.719 27.471 1.00 0.00 WT3 H ATOM 38533 OH2 TIP3 1903 50.129 24.912 20.941 1.00 0.00 WT3 O ATOM 38534 H1 TIP3 1903 50.356 25.531 20.247 1.00 0.00 WT3 H ATOM 38535 H2 TIP3 1903 50.959 24.730 21.381 1.00 0.00 WT3 H ATOM 38536 OH2 TIP3 1904 65.614 53.462 -11.491 1.00 0.00 WT3 O ATOM 38537 H1 TIP3 1904 64.771 53.346 -11.053 1.00 0.00 WT3 H ATOM 38538 H2 TIP3 1904 65.433 54.078 -12.201 1.00 0.00 WT3 H ATOM 38539 OH2 TIP3 1905 22.737 92.035 40.863 1.00 0.00 WT3 O ATOM 38540 H1 TIP3 1905 23.562 91.656 40.560 1.00 0.00 WT3 H ATOM 38541 H2 TIP3 1905 22.204 92.112 40.073 1.00 0.00 WT3 H ATOM 38542 OH2 TIP3 1906 34.758 82.201 -6.446 1.00 0.00 WT3 O ATOM 38543 H1 TIP3 1906 33.903 82.621 -6.357 1.00 0.00 WT3 H ATOM 38544 H2 TIP3 1906 34.637 81.329 -6.071 1.00 0.00 WT3 H ATOM 38545 OH2 TIP3 1907 89.167 87.335 8.980 1.00 0.00 WT3 O ATOM 38546 H1 TIP3 1907 89.214 87.468 9.927 1.00 0.00 WT3 H ATOM 38547 H2 TIP3 1907 89.765 86.606 8.811 1.00 0.00 WT3 H ATOM 38548 OH2 TIP3 1908 34.494 22.898 17.793 1.00 0.00 WT3 O ATOM 38549 H1 TIP3 1908 35.020 23.548 17.326 1.00 0.00 WT3 H ATOM 38550 H2 TIP3 1908 34.938 22.067 17.630 1.00 0.00 WT3 H ATOM 38551 OH2 TIP3 1909 63.293 87.640 -12.103 1.00 0.00 WT3 O ATOM 38552 H1 TIP3 1909 63.111 86.700 -12.126 1.00 0.00 WT3 H ATOM 38553 H2 TIP3 1909 62.507 88.028 -11.720 1.00 0.00 WT3 H ATOM 38554 OH2 TIP3 1911 73.547 27.907 -12.013 1.00 0.00 WT3 O ATOM 38555 H1 TIP3 1911 74.380 28.180 -11.630 1.00 0.00 WT3 H ATOM 38556 H2 TIP3 1911 72.914 27.996 -11.301 1.00 0.00 WT3 H ATOM 38557 OH2 TIP3 1912 57.832 94.242 12.273 1.00 0.00 WT3 O ATOM 38558 H1 TIP3 1912 57.636 94.364 13.202 1.00 0.00 WT3 H ATOM 38559 H2 TIP3 1912 57.099 94.654 11.817 1.00 0.00 WT3 H ATOM 38560 OH2 TIP3 1914 85.614 59.847 -5.856 1.00 0.00 WT3 O ATOM 38561 H1 TIP3 1914 85.540 58.906 -6.014 1.00 0.00 WT3 H ATOM 38562 H2 TIP3 1914 86.522 60.056 -6.076 1.00 0.00 WT3 H ATOM 38563 OH2 TIP3 1915 51.642 7.160 63.529 1.00 0.00 WT3 O ATOM 38564 H1 TIP3 1915 50.978 7.377 64.183 1.00 0.00 WT3 H ATOM 38565 H2 TIP3 1915 52.401 7.690 63.772 1.00 0.00 WT3 H ATOM 38566 OH2 TIP3 1917 49.356 21.150 38.373 1.00 0.00 WT3 O ATOM 38567 H1 TIP3 1917 49.277 20.490 37.684 1.00 0.00 WT3 H ATOM 38568 H2 TIP3 1917 48.724 21.827 38.131 1.00 0.00 WT3 H ATOM 38569 OH2 TIP3 1919 87.871 40.655 39.866 1.00 0.00 WT3 O ATOM 38570 H1 TIP3 1919 87.119 41.243 39.797 1.00 0.00 WT3 H ATOM 38571 H2 TIP3 1919 87.995 40.533 40.807 1.00 0.00 WT3 H ATOM 38572 OH2 TIP3 1920 24.409 75.392 -10.083 1.00 0.00 WT3 O ATOM 38573 H1 TIP3 1920 25.103 75.616 -9.462 1.00 0.00 WT3 H ATOM 38574 H2 TIP3 1920 23.653 75.188 -9.533 1.00 0.00 WT3 H ATOM 38575 OH2 TIP3 1921 89.251 73.275 29.867 1.00 0.00 WT3 O ATOM 38576 H1 TIP3 1921 89.793 72.993 29.130 1.00 0.00 WT3 H ATOM 38577 H2 TIP3 1921 89.845 73.270 30.617 1.00 0.00 WT3 H ATOM 38578 OH2 TIP3 1922 27.123 69.082 40.695 1.00 0.00 WT3 O ATOM 38579 H1 TIP3 1922 27.688 68.309 40.691 1.00 0.00 WT3 H ATOM 38580 H2 TIP3 1922 26.251 68.743 40.491 1.00 0.00 WT3 H ATOM 38581 OH2 TIP3 1923 49.160 54.929 47.286 1.00 0.00 WT3 O ATOM 38582 H1 TIP3 1923 49.316 54.197 46.690 1.00 0.00 WT3 H ATOM 38583 H2 TIP3 1923 48.681 55.569 46.760 1.00 0.00 WT3 H ATOM 38584 OH2 TIP3 1925 24.128 55.177 4.830 1.00 0.00 WT3 O ATOM 38585 H1 TIP3 1925 24.551 55.814 5.406 1.00 0.00 WT3 H ATOM 38586 H2 TIP3 1925 23.332 54.923 5.297 1.00 0.00 WT3 H ATOM 38587 OH2 TIP3 1926 20.421 57.373 56.380 1.00 0.00 WT3 O ATOM 38588 H1 TIP3 1926 21.142 57.669 56.935 1.00 0.00 WT3 H ATOM 38589 H2 TIP3 1926 19.878 58.151 56.256 1.00 0.00 WT3 H ATOM 38590 OH2 TIP3 1927 21.345 29.636 44.322 1.00 0.00 WT3 O ATOM 38591 H1 TIP3 1927 21.639 30.215 45.025 1.00 0.00 WT3 H ATOM 38592 H2 TIP3 1927 22.012 28.950 44.281 1.00 0.00 WT3 H ATOM 38593 OH2 TIP3 1928 74.639 76.192 -0.983 1.00 0.00 WT3 O ATOM 38594 H1 TIP3 1928 74.056 75.435 -1.038 1.00 0.00 WT3 H ATOM 38595 H2 TIP3 1928 74.189 76.800 -0.396 1.00 0.00 WT3 H ATOM 38596 OH2 TIP3 1929 73.605 82.382 21.328 1.00 0.00 WT3 O ATOM 38597 H1 TIP3 1929 73.608 82.691 20.422 1.00 0.00 WT3 H ATOM 38598 H2 TIP3 1929 74.466 81.980 21.447 1.00 0.00 WT3 H ATOM 38599 OH2 TIP3 1930 29.684 1.004 55.783 1.00 0.00 WT3 O ATOM 38600 H1 TIP3 1930 29.152 0.330 56.206 1.00 0.00 WT3 H ATOM 38601 H2 TIP3 1930 30.575 0.654 55.802 1.00 0.00 WT3 H ATOM 38602 OH2 TIP3 1931 27.154 65.867 63.733 1.00 0.00 WT3 O ATOM 38603 H1 TIP3 1931 27.250 65.959 62.785 1.00 0.00 WT3 H ATOM 38604 H2 TIP3 1931 27.876 66.379 64.098 1.00 0.00 WT3 H ATOM 38605 OH2 TIP3 1932 58.442 47.418 -2.908 1.00 0.00 WT3 O ATOM 38606 H1 TIP3 1932 57.826 48.134 -3.066 1.00 0.00 WT3 H ATOM 38607 H2 TIP3 1932 58.081 46.952 -2.154 1.00 0.00 WT3 H ATOM 38608 OH2 TIP3 1935 76.132 28.560 -11.324 1.00 0.00 WT3 O ATOM 38609 H1 TIP3 1935 76.254 29.507 -11.262 1.00 0.00 WT3 H ATOM 38610 H2 TIP3 1935 76.726 28.197 -10.667 1.00 0.00 WT3 H ATOM 38611 OH2 TIP3 1936 79.235 83.142 -12.705 1.00 0.00 WT3 O ATOM 38612 H1 TIP3 1936 80.057 82.765 -12.390 1.00 0.00 WT3 H ATOM 38613 H2 TIP3 1936 78.732 83.318 -11.910 1.00 0.00 WT3 H ATOM 38614 OH2 TIP3 1937 37.505 95.265 44.249 1.00 0.00 WT3 O ATOM 38615 H1 TIP3 1937 38.172 94.581 44.204 1.00 0.00 WT3 H ATOM 38616 H2 TIP3 1937 37.511 95.665 43.379 1.00 0.00 WT3 H ATOM 38617 OH2 TIP3 1938 29.801 81.017 59.032 1.00 0.00 WT3 O ATOM 38618 H1 TIP3 1938 30.332 80.237 59.192 1.00 0.00 WT3 H ATOM 38619 H2 TIP3 1938 29.408 80.868 58.172 1.00 0.00 WT3 H ATOM 38620 OH2 TIP3 1940 56.155 5.092 54.516 1.00 0.00 WT3 O ATOM 38621 H1 TIP3 1940 55.459 4.439 54.595 1.00 0.00 WT3 H ATOM 38622 H2 TIP3 1940 56.773 4.710 53.892 1.00 0.00 WT3 H ATOM 38623 OH2 TIP3 1941 31.553 43.506 -17.343 1.00 0.00 WT3 O ATOM 38624 H1 TIP3 1941 31.922 44.008 -16.616 1.00 0.00 WT3 H ATOM 38625 H2 TIP3 1941 30.687 43.889 -17.484 1.00 0.00 WT3 H ATOM 38626 OH2 TIP3 1943 34.338 39.372 19.988 1.00 0.00 WT3 O ATOM 38627 H1 TIP3 1943 34.273 38.564 20.497 1.00 0.00 WT3 H ATOM 38628 H2 TIP3 1943 35.243 39.660 20.111 1.00 0.00 WT3 H ATOM 38629 OH2 TIP3 1944 88.190 94.585 11.549 1.00 0.00 WT3 O ATOM 38630 H1 TIP3 1944 88.510 93.758 11.908 1.00 0.00 WT3 H ATOM 38631 H2 TIP3 1944 88.980 95.106 11.404 1.00 0.00 WT3 H ATOM 38632 OH2 TIP3 1945 31.125 76.861 11.664 1.00 0.00 WT3 O ATOM 38633 H1 TIP3 1945 31.171 77.793 11.876 1.00 0.00 WT3 H ATOM 38634 H2 TIP3 1945 30.247 76.595 11.938 1.00 0.00 WT3 H ATOM 38635 OH2 TIP3 1947 30.524 42.322 46.350 1.00 0.00 WT3 O ATOM 38636 H1 TIP3 1947 29.858 42.771 46.871 1.00 0.00 WT3 H ATOM 38637 H2 TIP3 1947 31.176 42.997 46.161 1.00 0.00 WT3 H ATOM 38638 OH2 TIP3 1948 60.025 89.221 23.820 1.00 0.00 WT3 O ATOM 38639 H1 TIP3 1948 60.525 88.876 24.560 1.00 0.00 WT3 H ATOM 38640 H2 TIP3 1948 59.227 89.574 24.213 1.00 0.00 WT3 H ATOM 38641 OH2 TIP3 1949 23.846 54.469 19.026 1.00 0.00 WT3 O ATOM 38642 H1 TIP3 1949 24.744 54.340 18.720 1.00 0.00 WT3 H ATOM 38643 H2 TIP3 1949 23.302 54.244 18.272 1.00 0.00 WT3 H ATOM 38644 OH2 TIP3 1950 24.642 80.868 53.472 1.00 0.00 WT3 O ATOM 38645 H1 TIP3 1950 23.877 80.825 52.899 1.00 0.00 WT3 H ATOM 38646 H2 TIP3 1950 24.771 81.802 53.632 1.00 0.00 WT3 H ATOM 38647 OH2 TIP3 1951 87.813 83.285 58.170 1.00 0.00 WT3 O ATOM 38648 H1 TIP3 1951 88.271 83.690 57.434 1.00 0.00 WT3 H ATOM 38649 H2 TIP3 1951 88.377 82.557 58.433 1.00 0.00 WT3 H ATOM 38650 OH2 TIP3 1952 22.221 81.219 -4.000 1.00 0.00 WT3 O ATOM 38651 H1 TIP3 1952 22.443 81.377 -3.083 1.00 0.00 WT3 H ATOM 38652 H2 TIP3 1952 21.698 80.417 -3.985 1.00 0.00 WT3 H ATOM 38653 OH2 TIP3 1954 24.367 89.159 66.061 1.00 0.00 WT3 O ATOM 38654 H1 TIP3 1954 24.019 89.291 66.943 1.00 0.00 WT3 H ATOM 38655 H2 TIP3 1954 23.602 89.219 65.489 1.00 0.00 WT3 H ATOM 38656 OH2 TIP3 1955 65.855 91.566 61.530 1.00 0.00 WT3 O ATOM 38657 H1 TIP3 1955 65.847 91.892 60.630 1.00 0.00 WT3 H ATOM 38658 H2 TIP3 1955 65.025 91.099 61.623 1.00 0.00 WT3 H ATOM 38659 OH2 TIP3 1956 28.634 28.699 60.081 1.00 0.00 WT3 O ATOM 38660 H1 TIP3 1956 29.567 28.820 60.259 1.00 0.00 WT3 H ATOM 38661 H2 TIP3 1956 28.196 29.313 60.670 1.00 0.00 WT3 H ATOM 38662 OH2 TIP3 1957 28.561 91.565 53.060 1.00 0.00 WT3 O ATOM 38663 H1 TIP3 1957 29.461 91.247 53.140 1.00 0.00 WT3 H ATOM 38664 H2 TIP3 1957 28.023 90.850 53.401 1.00 0.00 WT3 H ATOM 38665 OH2 TIP3 1958 40.949 37.586 46.216 1.00 0.00 WT3 O ATOM 38666 H1 TIP3 1958 40.973 37.742 45.272 1.00 0.00 WT3 H ATOM 38667 H2 TIP3 1958 41.568 36.868 46.355 1.00 0.00 WT3 H ATOM 38668 OH2 TIP3 1960 64.509 80.384 66.747 1.00 0.00 WT3 O ATOM 38669 H1 TIP3 1960 64.265 80.887 67.524 1.00 0.00 WT3 H ATOM 38670 H2 TIP3 1960 64.108 79.525 66.881 1.00 0.00 WT3 H ATOM 38671 OH2 TIP3 1961 67.652 16.056 24.878 1.00 0.00 WT3 O ATOM 38672 H1 TIP3 1961 66.784 16.272 24.536 1.00 0.00 WT3 H ATOM 38673 H2 TIP3 1961 68.082 16.904 24.991 1.00 0.00 WT3 H ATOM 38674 OH2 TIP3 1962 31.721 20.369 29.270 1.00 0.00 WT3 O ATOM 38675 H1 TIP3 1962 31.906 20.862 28.471 1.00 0.00 WT3 H ATOM 38676 H2 TIP3 1962 31.077 19.713 29.003 1.00 0.00 WT3 H ATOM 38677 OH2 TIP3 1965 64.514 10.590 6.691 1.00 0.00 WT3 O ATOM 38678 H1 TIP3 1965 63.775 10.816 7.256 1.00 0.00 WT3 H ATOM 38679 H2 TIP3 1965 64.976 9.899 7.165 1.00 0.00 WT3 H ATOM 38680 OH2 TIP3 1966 80.656 81.212 0.858 1.00 0.00 WT3 O ATOM 38681 H1 TIP3 1966 81.470 81.712 0.923 1.00 0.00 WT3 H ATOM 38682 H2 TIP3 1966 80.648 80.663 1.643 1.00 0.00 WT3 H ATOM 38683 OH2 TIP3 1967 84.872 82.373 27.743 1.00 0.00 WT3 O ATOM 38684 H1 TIP3 1967 85.710 81.967 27.518 1.00 0.00 WT3 H ATOM 38685 H2 TIP3 1967 84.282 81.635 27.894 1.00 0.00 WT3 H ATOM 38686 OH2 TIP3 1969 28.699 56.970 0.061 1.00 0.00 WT3 O ATOM 38687 H1 TIP3 1969 29.205 57.761 -0.126 1.00 0.00 WT3 H ATOM 38688 H2 TIP3 1969 27.965 57.276 0.594 1.00 0.00 WT3 H ATOM 38689 OH2 TIP3 1970 37.798 93.436 0.448 1.00 0.00 WT3 O ATOM 38690 H1 TIP3 1970 38.728 93.580 0.623 1.00 0.00 WT3 H ATOM 38691 H2 TIP3 1970 37.589 92.625 0.913 1.00 0.00 WT3 H ATOM 38692 OH2 TIP3 1971 61.465 55.965 30.962 1.00 0.00 WT3 O ATOM 38693 H1 TIP3 1971 61.462 55.007 30.951 1.00 0.00 WT3 H ATOM 38694 H2 TIP3 1971 60.622 56.212 30.582 1.00 0.00 WT3 H ATOM 38695 OH2 TIP3 1973 84.599 89.665 31.137 1.00 0.00 WT3 O ATOM 38696 H1 TIP3 1973 85.320 89.044 31.238 1.00 0.00 WT3 H ATOM 38697 H2 TIP3 1973 85.012 90.526 31.209 1.00 0.00 WT3 H ATOM 38698 OH2 TIP3 1974 24.237 75.405 -1.524 1.00 0.00 WT3 O ATOM 38699 H1 TIP3 1974 24.823 76.155 -1.421 1.00 0.00 WT3 H ATOM 38700 H2 TIP3 1974 24.688 74.831 -2.144 1.00 0.00 WT3 H ATOM 38701 OH2 TIP3 1977 22.484 18.823 1.716 1.00 0.00 WT3 O ATOM 38702 H1 TIP3 1977 23.129 18.512 2.352 1.00 0.00 WT3 H ATOM 38703 H2 TIP3 1977 21.961 19.462 2.199 1.00 0.00 WT3 H ATOM 38704 OH2 TIP3 1982 61.694 17.434 37.503 1.00 0.00 WT3 O ATOM 38705 H1 TIP3 1982 61.138 17.598 36.741 1.00 0.00 WT3 H ATOM 38706 H2 TIP3 1982 61.459 16.551 37.786 1.00 0.00 WT3 H ATOM 38707 OH2 TIP3 1983 52.429 77.105 1.070 1.00 0.00 WT3 O ATOM 38708 H1 TIP3 1983 51.818 76.482 1.463 1.00 0.00 WT3 H ATOM 38709 H2 TIP3 1983 52.657 77.701 1.784 1.00 0.00 WT3 H ATOM 38710 OH2 TIP3 1987 23.354 60.608 -18.401 1.00 0.00 WT3 O ATOM 38711 H1 TIP3 1987 24.039 59.944 -18.321 1.00 0.00 WT3 H ATOM 38712 H2 TIP3 1987 22.704 60.213 -18.982 1.00 0.00 WT3 H ATOM 38713 OH2 TIP3 1988 36.294 1.115 34.502 1.00 0.00 WT3 O ATOM 38714 H1 TIP3 1988 36.183 0.273 34.061 1.00 0.00 WT3 H ATOM 38715 H2 TIP3 1988 35.937 1.756 33.887 1.00 0.00 WT3 H ATOM 38716 OH2 TIP3 1991 26.213 86.749 40.979 1.00 0.00 WT3 O ATOM 38717 H1 TIP3 1991 26.784 87.457 40.679 1.00 0.00 WT3 H ATOM 38718 H2 TIP3 1991 25.485 86.749 40.358 1.00 0.00 WT3 H ATOM 38719 OH2 TIP3 1993 72.863 94.056 -8.527 1.00 0.00 WT3 O ATOM 38720 H1 TIP3 1993 72.159 94.150 -7.886 1.00 0.00 WT3 H ATOM 38721 H2 TIP3 1993 73.297 94.909 -8.534 1.00 0.00 WT3 H ATOM 38722 OH2 TIP3 1994 21.535 75.242 -1.262 1.00 0.00 WT3 O ATOM 38723 H1 TIP3 1994 21.266 74.366 -0.986 1.00 0.00 WT3 H ATOM 38724 H2 TIP3 1994 22.490 75.197 -1.307 1.00 0.00 WT3 H ATOM 38725 OH2 TIP3 1995 28.487 36.731 4.304 1.00 0.00 WT3 O ATOM 38726 H1 TIP3 1995 28.541 37.686 4.310 1.00 0.00 WT3 H ATOM 38727 H2 TIP3 1995 29.332 36.445 3.955 1.00 0.00 WT3 H ATOM 38728 OH2 TIP3 1997 69.695 27.874 43.985 1.00 0.00 WT3 O ATOM 38729 H1 TIP3 1997 70.559 27.888 43.572 1.00 0.00 WT3 H ATOM 38730 H2 TIP3 1997 69.808 27.318 44.756 1.00 0.00 WT3 H ATOM 38731 OH2 TIP3 2002 48.649 66.541 -6.177 1.00 0.00 WT3 O ATOM 38732 H1 TIP3 2002 49.384 67.107 -6.415 1.00 0.00 WT3 H ATOM 38733 H2 TIP3 2002 47.938 67.146 -5.967 1.00 0.00 WT3 H ATOM 38734 OH2 TIP3 2003 34.252 26.468 38.291 1.00 0.00 WT3 O ATOM 38735 H1 TIP3 2003 33.336 26.341 38.539 1.00 0.00 WT3 H ATOM 38736 H2 TIP3 2003 34.702 25.695 38.631 1.00 0.00 WT3 H ATOM 38737 OH2 TIP3 2008 67.764 68.210 26.721 1.00 0.00 WT3 O ATOM 38738 H1 TIP3 2008 68.069 67.809 25.907 1.00 0.00 WT3 H ATOM 38739 H2 TIP3 2008 66.818 68.066 26.720 1.00 0.00 WT3 H ATOM 38740 OH2 TIP3 2009 73.134 10.874 43.875 1.00 0.00 WT3 O ATOM 38741 H1 TIP3 2009 73.529 10.547 44.684 1.00 0.00 WT3 H ATOM 38742 H2 TIP3 2009 72.930 10.086 43.372 1.00 0.00 WT3 H ATOM 38743 OH2 TIP3 2012 84.394 5.162 47.310 1.00 0.00 WT3 O ATOM 38744 H1 TIP3 2012 84.967 5.901 47.514 1.00 0.00 WT3 H ATOM 38745 H2 TIP3 2012 83.564 5.565 47.057 1.00 0.00 WT3 H ATOM 38746 OH2 TIP3 2020 34.183 49.943 65.275 1.00 0.00 WT3 O ATOM 38747 H1 TIP3 2020 34.466 49.390 66.003 1.00 0.00 WT3 H ATOM 38748 H2 TIP3 2020 34.434 49.454 64.491 1.00 0.00 WT3 H ATOM 38749 OH2 TIP3 2021 24.531 60.828 54.190 1.00 0.00 WT3 O ATOM 38750 H1 TIP3 2021 23.637 61.165 54.129 1.00 0.00 WT3 H ATOM 38751 H2 TIP3 2021 24.972 61.173 53.414 1.00 0.00 WT3 H ATOM 38752 OH2 TIP3 2028 42.772 4.656 52.151 1.00 0.00 WT3 O ATOM 38753 H1 TIP3 2028 42.262 5.268 51.620 1.00 0.00 WT3 H ATOM 38754 H2 TIP3 2028 42.907 3.898 51.582 1.00 0.00 WT3 H ATOM 38755 OH2 TIP3 2035 64.567 68.404 45.569 1.00 0.00 WT3 O ATOM 38756 H1 TIP3 2035 64.716 68.792 44.706 1.00 0.00 WT3 H ATOM 38757 H2 TIP3 2035 63.830 67.808 45.440 1.00 0.00 WT3 H ATOM 38758 OH2 TIP3 2049 75.214 90.335 45.894 1.00 0.00 WT3 O ATOM 38759 H1 TIP3 2049 74.969 91.128 46.371 1.00 0.00 WT3 H ATOM 38760 H2 TIP3 2049 74.679 89.645 46.286 1.00 0.00 WT3 H ATOM 38761 OH2 TIP3 2105 20.826 93.439 28.620 1.00 0.00 WT3 O ATOM 38762 H1 TIP3 2105 21.513 94.074 28.819 1.00 0.00 WT3 H ATOM 38763 H2 TIP3 2105 21.134 92.991 27.832 1.00 0.00 WT3 H ATOM 38764 OH2 TIP3 2123 84.031 80.614 12.050 1.00 0.00 WT3 O ATOM 38765 H1 TIP3 2123 84.622 81.311 11.764 1.00 0.00 WT3 H ATOM 38766 H2 TIP3 2123 83.999 80.703 13.002 1.00 0.00 WT3 H ATOM 38767 OH2 TIP3 2127 54.793 66.069 -7.301 1.00 0.00 WT3 O ATOM 38768 H1 TIP3 2127 54.807 65.434 -6.585 1.00 0.00 WT3 H ATOM 38769 H2 TIP3 2127 55.514 65.803 -7.871 1.00 0.00 WT3 H ATOM 38770 OH2 TIP3 2133 70.989 16.865 38.322 1.00 0.00 WT3 O ATOM 38771 H1 TIP3 2133 70.083 16.802 38.021 1.00 0.00 WT3 H ATOM 38772 H2 TIP3 2133 71.234 15.965 38.536 1.00 0.00 WT3 H ATOM 38773 OH2 TIP3 2145 27.445 86.204 2.711 1.00 0.00 WT3 O ATOM 38774 H1 TIP3 2145 28.347 85.936 2.537 1.00 0.00 WT3 H ATOM 38775 H2 TIP3 2145 27.506 87.140 2.905 1.00 0.00 WT3 H ATOM 38776 OH2 TIP3 2147 28.851 75.525 -6.273 1.00 0.00 WT3 O ATOM 38777 H1 TIP3 2147 28.079 75.028 -6.546 1.00 0.00 WT3 H ATOM 38778 H2 TIP3 2147 29.486 74.857 -6.013 1.00 0.00 WT3 H ATOM 38779 OH2 TIP3 2151 25.345 85.309 62.347 1.00 0.00 WT3 O ATOM 38780 H1 TIP3 2151 26.070 85.919 62.477 1.00 0.00 WT3 H ATOM 38781 H2 TIP3 2151 25.767 84.469 62.169 1.00 0.00 WT3 H ATOM 38782 OH2 TIP3 2163 61.596 34.618 44.039 1.00 0.00 WT3 O ATOM 38783 H1 TIP3 2163 61.904 35.525 44.041 1.00 0.00 WT3 H ATOM 38784 H2 TIP3 2163 61.931 34.253 43.220 1.00 0.00 WT3 H ATOM 38785 OH2 TIP3 2165 58.163 22.893 59.520 1.00 0.00 WT3 O ATOM 38786 H1 TIP3 2165 57.299 22.501 59.647 1.00 0.00 WT3 H ATOM 38787 H2 TIP3 2165 58.169 23.654 60.101 1.00 0.00 WT3 H ATOM 38788 OH2 TIP3 2167 37.044 95.085 -1.628 1.00 0.00 WT3 O ATOM 38789 H1 TIP3 2167 37.251 94.862 -0.720 1.00 0.00 WT3 H ATOM 38790 H2 TIP3 2167 37.688 95.753 -1.864 1.00 0.00 WT3 H ATOM 38791 OH2 TIP3 2172 31.722 9.120 8.686 1.00 0.00 WT3 O ATOM 38792 H1 TIP3 2172 31.825 9.838 9.311 1.00 0.00 WT3 H ATOM 38793 H2 TIP3 2172 32.417 9.259 8.043 1.00 0.00 WT3 H ATOM 38794 OH2 TIP3 2180 54.694 24.587 29.969 1.00 0.00 WT3 O ATOM 38795 H1 TIP3 2180 54.160 23.870 30.313 1.00 0.00 WT3 H ATOM 38796 H2 TIP3 2180 54.148 24.989 29.293 1.00 0.00 WT3 H ATOM 38797 OH2 TIP3 2184 41.948 22.482 47.996 1.00 0.00 WT3 O ATOM 38798 H1 TIP3 2184 42.670 22.785 47.446 1.00 0.00 WT3 H ATOM 38799 H2 TIP3 2184 41.185 22.492 47.418 1.00 0.00 WT3 H ATOM 38800 OH2 TIP3 2185 61.064 65.282 41.974 1.00 0.00 WT3 O ATOM 38801 H1 TIP3 2185 60.269 65.566 41.523 1.00 0.00 WT3 H ATOM 38802 H2 TIP3 2185 60.806 64.481 42.431 1.00 0.00 WT3 H ATOM 38803 OH2 TIP3 2186 26.649 71.289 55.233 1.00 0.00 WT3 O ATOM 38804 H1 TIP3 2186 27.140 71.779 55.892 1.00 0.00 WT3 H ATOM 38805 H2 TIP3 2186 26.424 71.939 54.567 1.00 0.00 WT3 H ATOM 38806 OH2 TIP3 2187 34.798 72.728 11.533 1.00 0.00 WT3 O ATOM 38807 H1 TIP3 2187 35.743 72.586 11.593 1.00 0.00 WT3 H ATOM 38808 H2 TIP3 2187 34.449 72.366 12.347 1.00 0.00 WT3 H ATOM 38809 OH2 TIP3 2197 21.386 41.291 55.535 1.00 0.00 WT3 O ATOM 38810 H1 TIP3 2197 21.466 42.078 56.073 1.00 0.00 WT3 H ATOM 38811 H2 TIP3 2197 20.685 40.788 55.948 1.00 0.00 WT3 H ATOM 38812 OH2 TIP3 2198 38.944 53.841 -14.967 1.00 0.00 WT3 O ATOM 38813 H1 TIP3 2198 39.596 53.499 -15.579 1.00 0.00 WT3 H ATOM 38814 H2 TIP3 2198 38.951 53.221 -14.238 1.00 0.00 WT3 H ATOM 38815 OH2 TIP3 2200 41.529 81.276 34.198 1.00 0.00 WT3 O ATOM 38816 H1 TIP3 2200 40.573 81.291 34.172 1.00 0.00 WT3 H ATOM 38817 H2 TIP3 2200 41.766 80.426 33.828 1.00 0.00 WT3 H ATOM 38818 OH2 TIP3 2201 45.182 85.228 57.307 1.00 0.00 WT3 O ATOM 38819 H1 TIP3 2201 44.367 85.059 57.779 1.00 0.00 WT3 H ATOM 38820 H2 TIP3 2201 45.743 85.668 57.947 1.00 0.00 WT3 H ATOM 38821 OH2 TIP3 2203 82.434 93.105 25.525 1.00 0.00 WT3 O ATOM 38822 H1 TIP3 2203 81.703 93.408 24.987 1.00 0.00 WT3 H ATOM 38823 H2 TIP3 2203 82.037 92.889 26.369 1.00 0.00 WT3 H ATOM 38824 OH2 TIP3 2208 24.553 92.938 62.194 1.00 0.00 WT3 O ATOM 38825 H1 TIP3 2208 24.315 93.717 61.691 1.00 0.00 WT3 H ATOM 38826 H2 TIP3 2208 24.821 93.276 63.048 1.00 0.00 WT3 H ATOM 38827 OH2 TIP3 2211 75.113 78.686 56.540 1.00 0.00 WT3 O ATOM 38828 H1 TIP3 2211 74.492 79.414 56.553 1.00 0.00 WT3 H ATOM 38829 H2 TIP3 2211 74.563 77.902 56.519 1.00 0.00 WT3 H ATOM 38830 OH2 TIP3 2212 76.435 26.621 -19.304 1.00 0.00 WT3 O ATOM 38831 H1 TIP3 2212 77.366 26.583 -19.521 1.00 0.00 WT3 H ATOM 38832 H2 TIP3 2212 76.045 25.895 -19.791 1.00 0.00 WT3 H ATOM 38833 OH2 TIP3 2213 54.600 16.564 66.154 1.00 0.00 WT3 O ATOM 38834 H1 TIP3 2213 54.655 17.139 65.390 1.00 0.00 WT3 H ATOM 38835 H2 TIP3 2213 55.469 16.612 66.553 1.00 0.00 WT3 H ATOM 38836 OH2 TIP3 2217 79.303 76.866 3.280 1.00 0.00 WT3 O ATOM 38837 H1 TIP3 2217 80.079 76.878 3.840 1.00 0.00 WT3 H ATOM 38838 H2 TIP3 2217 79.603 77.225 2.445 1.00 0.00 WT3 H ATOM 38839 OH2 TIP3 2219 74.345 36.259 26.007 1.00 0.00 WT3 O ATOM 38840 H1 TIP3 2219 73.564 35.808 25.687 1.00 0.00 WT3 H ATOM 38841 H2 TIP3 2219 75.006 35.570 26.081 1.00 0.00 WT3 H ATOM 38842 OH2 TIP3 2227 86.542 83.989 -1.096 1.00 0.00 WT3 O ATOM 38843 H1 TIP3 2227 86.739 84.667 -0.449 1.00 0.00 WT3 H ATOM 38844 H2 TIP3 2227 87.391 83.596 -1.297 1.00 0.00 WT3 H ATOM 38845 OH2 TIP3 2229 64.669 20.580 -3.467 1.00 0.00 WT3 O ATOM 38846 H1 TIP3 2229 64.869 20.197 -2.613 1.00 0.00 WT3 H ATOM 38847 H2 TIP3 2229 65.425 20.362 -4.012 1.00 0.00 WT3 H ATOM 38848 OH2 TIP3 2231 73.102 95.610 46.869 1.00 0.00 WT3 O ATOM 38849 H1 TIP3 2231 73.268 95.478 47.802 1.00 0.00 WT3 H ATOM 38850 H2 TIP3 2231 72.383 95.012 46.666 1.00 0.00 WT3 H ATOM 38851 OH2 TIP3 2232 30.933 80.764 36.394 1.00 0.00 WT3 O ATOM 38852 H1 TIP3 2232 30.110 80.971 36.838 1.00 0.00 WT3 H ATOM 38853 H2 TIP3 2232 31.478 80.366 37.073 1.00 0.00 WT3 H ATOM 38854 OH2 TIP3 2234 45.236 14.266 8.469 1.00 0.00 WT3 O ATOM 38855 H1 TIP3 2234 46.128 13.980 8.667 1.00 0.00 WT3 H ATOM 38856 H2 TIP3 2234 44.896 14.586 9.305 1.00 0.00 WT3 H ATOM 38857 OH2 TIP3 2236 39.557 -0.025 25.719 1.00 0.00 WT3 O ATOM 38858 H1 TIP3 2236 39.093 0.655 25.232 1.00 0.00 WT3 H ATOM 38859 H2 TIP3 2236 39.903 0.425 26.490 1.00 0.00 WT3 H ATOM 38860 OH2 TIP3 2238 42.496 8.524 -5.714 1.00 0.00 WT3 O ATOM 38861 H1 TIP3 2238 41.680 8.755 -5.271 1.00 0.00 WT3 H ATOM 38862 H2 TIP3 2238 43.182 8.907 -5.168 1.00 0.00 WT3 H ATOM 38863 OH2 TIP3 2240 27.218 42.355 25.764 1.00 0.00 WT3 O ATOM 38864 H1 TIP3 2240 27.663 42.771 25.025 1.00 0.00 WT3 H ATOM 38865 H2 TIP3 2240 27.856 41.728 26.105 1.00 0.00 WT3 H ATOM 38866 OH2 TIP3 2241 30.682 34.018 -8.961 1.00 0.00 WT3 O ATOM 38867 H1 TIP3 2241 30.601 34.767 -8.370 1.00 0.00 WT3 H ATOM 38868 H2 TIP3 2241 29.859 34.009 -9.450 1.00 0.00 WT3 H ATOM 38869 OH2 TIP3 2242 30.605 70.247 15.211 1.00 0.00 WT3 O ATOM 38870 H1 TIP3 2242 31.447 69.921 15.529 1.00 0.00 WT3 H ATOM 38871 H2 TIP3 2242 30.831 70.993 14.655 1.00 0.00 WT3 H ATOM 38872 OH2 TIP3 2244 80.315 55.422 55.347 1.00 0.00 WT3 O ATOM 38873 H1 TIP3 2244 80.150 55.000 56.191 1.00 0.00 WT3 H ATOM 38874 H2 TIP3 2244 79.942 54.821 54.702 1.00 0.00 WT3 H ATOM 38875 OH2 TIP3 2247 50.862 88.164 32.997 1.00 0.00 WT3 O ATOM 38876 H1 TIP3 2247 51.027 87.669 33.799 1.00 0.00 WT3 H ATOM 38877 H2 TIP3 2247 50.849 87.503 32.305 1.00 0.00 WT3 H ATOM 38878 OH2 TIP3 2248 44.180 89.094 61.518 1.00 0.00 WT3 O ATOM 38879 H1 TIP3 2248 44.139 89.212 62.467 1.00 0.00 WT3 H ATOM 38880 H2 TIP3 2248 44.652 88.269 61.400 1.00 0.00 WT3 H ATOM 38881 OH2 TIP3 2249 32.598 54.363 29.238 1.00 0.00 WT3 O ATOM 38882 H1 TIP3 2249 33.456 54.622 28.903 1.00 0.00 WT3 H ATOM 38883 H2 TIP3 2249 31.974 54.735 28.613 1.00 0.00 WT3 H ATOM 38884 OH2 TIP3 2250 59.279 59.599 21.189 1.00 0.00 WT3 O ATOM 38885 H1 TIP3 2250 58.654 59.183 20.595 1.00 0.00 WT3 H ATOM 38886 H2 TIP3 2250 59.745 60.232 20.642 1.00 0.00 WT3 H ATOM 38887 OH2 TIP3 2251 59.779 26.794 -9.931 1.00 0.00 WT3 O ATOM 38888 H1 TIP3 2251 59.164 26.798 -10.664 1.00 0.00 WT3 H ATOM 38889 H2 TIP3 2251 59.461 27.482 -9.347 1.00 0.00 WT3 H ATOM 38890 OH2 TIP3 2253 24.319 0.939 1.632 1.00 0.00 WT3 O ATOM 38891 H1 TIP3 2253 24.322 0.910 2.589 1.00 0.00 WT3 H ATOM 38892 H2 TIP3 2253 24.020 0.069 1.366 1.00 0.00 WT3 H ATOM 38893 OH2 TIP3 2254 82.216 94.924 -8.895 1.00 0.00 WT3 O ATOM 38894 H1 TIP3 2254 82.391 94.510 -8.050 1.00 0.00 WT3 H ATOM 38895 H2 TIP3 2254 82.859 94.538 -9.489 1.00 0.00 WT3 H ATOM 38896 OH2 TIP3 2256 86.021 14.138 -9.679 1.00 0.00 WT3 O ATOM 38897 H1 TIP3 2256 85.131 13.961 -9.374 1.00 0.00 WT3 H ATOM 38898 H2 TIP3 2256 85.954 14.969 -10.147 1.00 0.00 WT3 H ATOM 38899 OH2 TIP3 2257 37.746 63.769 55.949 1.00 0.00 WT3 O ATOM 38900 H1 TIP3 2257 37.070 64.336 56.319 1.00 0.00 WT3 H ATOM 38901 H2 TIP3 2257 38.480 63.842 56.559 1.00 0.00 WT3 H ATOM 38902 OH2 TIP3 2260 51.808 92.460 42.792 1.00 0.00 WT3 O ATOM 38903 H1 TIP3 2260 51.688 91.586 42.421 1.00 0.00 WT3 H ATOM 38904 H2 TIP3 2260 52.739 92.501 43.013 1.00 0.00 WT3 H ATOM 38905 OH2 TIP3 2261 67.981 90.221 27.270 1.00 0.00 WT3 O ATOM 38906 H1 TIP3 2261 67.061 90.474 27.349 1.00 0.00 WT3 H ATOM 38907 H2 TIP3 2261 68.050 89.407 27.768 1.00 0.00 WT3 H ATOM 38908 OH2 TIP3 2263 22.321 57.457 45.463 1.00 0.00 WT3 O ATOM 38909 H1 TIP3 2263 23.064 57.170 45.994 1.00 0.00 WT3 H ATOM 38910 H2 TIP3 2263 22.545 58.348 45.197 1.00 0.00 WT3 H ATOM 38911 OH2 TIP3 2264 59.286 58.085 41.805 1.00 0.00 WT3 O ATOM 38912 H1 TIP3 2264 58.587 58.441 41.256 1.00 0.00 WT3 H ATOM 38913 H2 TIP3 2264 58.877 57.357 42.272 1.00 0.00 WT3 H ATOM 38914 OH2 TIP3 2265 47.706 50.842 35.062 1.00 0.00 WT3 O ATOM 38915 H1 TIP3 2265 47.998 50.989 34.163 1.00 0.00 WT3 H ATOM 38916 H2 TIP3 2265 46.972 50.233 34.980 1.00 0.00 WT3 H ATOM 38917 OH2 TIP3 2268 80.849 16.921 41.171 1.00 0.00 WT3 O ATOM 38918 H1 TIP3 2268 81.792 16.757 41.173 1.00 0.00 WT3 H ATOM 38919 H2 TIP3 2268 80.460 16.082 40.922 1.00 0.00 WT3 H ATOM 38920 OH2 TIP3 2269 21.883 88.838 64.747 1.00 0.00 WT3 O ATOM 38921 H1 TIP3 2269 21.260 89.046 64.051 1.00 0.00 WT3 H ATOM 38922 H2 TIP3 2269 21.600 87.984 65.075 1.00 0.00 WT3 H ATOM 38923 OH2 TIP3 2270 82.283 90.685 -5.107 1.00 0.00 WT3 O ATOM 38924 H1 TIP3 2270 81.998 91.297 -5.786 1.00 0.00 WT3 H ATOM 38925 H2 TIP3 2270 81.878 91.012 -4.304 1.00 0.00 WT3 H ATOM 38926 OH2 TIP3 2271 84.035 18.136 -4.631 1.00 0.00 WT3 O ATOM 38927 H1 TIP3 2271 84.161 17.506 -3.922 1.00 0.00 WT3 H ATOM 38928 H2 TIP3 2271 83.722 17.611 -5.367 1.00 0.00 WT3 H ATOM 38929 OH2 TIP3 2272 23.375 76.088 -12.837 1.00 0.00 WT3 O ATOM 38930 H1 TIP3 2272 23.809 75.822 -12.026 1.00 0.00 WT3 H ATOM 38931 H2 TIP3 2272 23.552 77.026 -12.907 1.00 0.00 WT3 H ATOM 38932 OH2 TIP3 2273 80.078 16.530 -4.946 1.00 0.00 WT3 O ATOM 38933 H1 TIP3 2273 79.173 16.837 -4.888 1.00 0.00 WT3 H ATOM 38934 H2 TIP3 2273 80.084 15.941 -5.700 1.00 0.00 WT3 H ATOM 38935 OH2 TIP3 2274 79.433 45.361 17.100 1.00 0.00 WT3 O ATOM 38936 H1 TIP3 2274 79.182 45.037 17.966 1.00 0.00 WT3 H ATOM 38937 H2 TIP3 2274 78.919 46.161 16.986 1.00 0.00 WT3 H ATOM 38938 OH2 TIP3 2275 46.923 90.683 38.268 1.00 0.00 WT3 O ATOM 38939 H1 TIP3 2275 46.031 90.970 38.464 1.00 0.00 WT3 H ATOM 38940 H2 TIP3 2275 46.862 90.292 37.396 1.00 0.00 WT3 H ATOM 38941 OH2 TIP3 2277 43.609 79.426 1.253 1.00 0.00 WT3 O ATOM 38942 H1 TIP3 2277 43.645 78.536 0.902 1.00 0.00 WT3 H ATOM 38943 H2 TIP3 2277 44.263 79.909 0.747 1.00 0.00 WT3 H ATOM 38944 OH2 TIP3 2279 34.593 83.379 30.127 1.00 0.00 WT3 O ATOM 38945 H1 TIP3 2279 34.192 83.140 30.963 1.00 0.00 WT3 H ATOM 38946 H2 TIP3 2279 34.644 84.335 30.151 1.00 0.00 WT3 H ATOM 38947 OH2 TIP3 2280 63.774 64.502 -6.319 1.00 0.00 WT3 O ATOM 38948 H1 TIP3 2280 62.928 64.697 -5.915 1.00 0.00 WT3 H ATOM 38949 H2 TIP3 2280 63.860 63.552 -6.251 1.00 0.00 WT3 H ATOM 38950 OH2 TIP3 2281 28.534 87.160 36.067 1.00 0.00 WT3 O ATOM 38951 H1 TIP3 2281 29.138 87.647 35.507 1.00 0.00 WT3 H ATOM 38952 H2 TIP3 2281 29.033 86.393 36.349 1.00 0.00 WT3 H ATOM 38953 OH2 TIP3 2282 67.694 43.084 27.935 1.00 0.00 WT3 O ATOM 38954 H1 TIP3 2282 67.228 43.575 28.612 1.00 0.00 WT3 H ATOM 38955 H2 TIP3 2282 67.478 43.537 27.119 1.00 0.00 WT3 H ATOM 38956 OH2 TIP3 2283 61.614 9.414 62.100 1.00 0.00 WT3 O ATOM 38957 H1 TIP3 2283 62.469 9.756 62.363 1.00 0.00 WT3 H ATOM 38958 H2 TIP3 2283 61.558 8.556 62.521 1.00 0.00 WT3 H ATOM 38959 OH2 TIP3 2284 56.794 85.462 -6.703 1.00 0.00 WT3 O ATOM 38960 H1 TIP3 2284 57.183 85.166 -5.880 1.00 0.00 WT3 H ATOM 38961 H2 TIP3 2284 55.922 85.773 -6.458 1.00 0.00 WT3 H ATOM 38962 OH2 TIP3 2286 61.070 29.867 30.547 1.00 0.00 WT3 O ATOM 38963 H1 TIP3 2286 60.209 30.265 30.421 1.00 0.00 WT3 H ATOM 38964 H2 TIP3 2286 61.581 30.157 29.791 1.00 0.00 WT3 H ATOM 38965 OH2 TIP3 2287 22.918 12.140 59.625 1.00 0.00 WT3 O ATOM 38966 H1 TIP3 2287 22.960 13.090 59.741 1.00 0.00 WT3 H ATOM 38967 H2 TIP3 2287 22.538 11.815 60.441 1.00 0.00 WT3 H ATOM 38968 OH2 TIP3 2288 88.648 13.931 51.712 1.00 0.00 WT3 O ATOM 38969 H1 TIP3 2288 88.803 13.577 50.836 1.00 0.00 WT3 H ATOM 38970 H2 TIP3 2288 89.368 14.546 51.852 1.00 0.00 WT3 H ATOM 38971 OH2 TIP3 2289 25.130 63.379 34.005 1.00 0.00 WT3 O ATOM 38972 H1 TIP3 2289 24.658 64.205 33.905 1.00 0.00 WT3 H ATOM 38973 H2 TIP3 2289 25.379 63.135 33.113 1.00 0.00 WT3 H ATOM 38974 OH2 TIP3 2291 45.407 80.252 27.241 1.00 0.00 WT3 O ATOM 38975 H1 TIP3 2291 44.652 80.103 27.810 1.00 0.00 WT3 H ATOM 38976 H2 TIP3 2291 46.145 79.870 27.716 1.00 0.00 WT3 H ATOM 38977 OH2 TIP3 2292 35.420 63.757 -19.837 1.00 0.00 WT3 O ATOM 38978 H1 TIP3 2292 36.087 64.290 -19.404 1.00 0.00 WT3 H ATOM 38979 H2 TIP3 2292 34.588 64.125 -19.538 1.00 0.00 WT3 H ATOM 38980 OH2 TIP3 2293 48.498 83.146 34.692 1.00 0.00 WT3 O ATOM 38981 H1 TIP3 2293 48.662 82.262 34.363 1.00 0.00 WT3 H ATOM 38982 H2 TIP3 2293 47.544 83.206 34.752 1.00 0.00 WT3 H ATOM 38983 OH2 TIP3 2294 84.854 84.804 62.038 1.00 0.00 WT3 O ATOM 38984 H1 TIP3 2294 85.200 84.038 62.496 1.00 0.00 WT3 H ATOM 38985 H2 TIP3 2294 84.690 84.497 61.146 1.00 0.00 WT3 H ATOM 38986 OH2 TIP3 2295 38.354 19.095 -12.058 1.00 0.00 WT3 O ATOM 38987 H1 TIP3 2295 37.960 18.626 -11.322 1.00 0.00 WT3 H ATOM 38988 H2 TIP3 2295 38.390 18.449 -12.763 1.00 0.00 WT3 H ATOM 38989 OH2 TIP3 2296 65.719 88.947 -16.471 1.00 0.00 WT3 O ATOM 38990 H1 TIP3 2296 66.170 89.780 -16.613 1.00 0.00 WT3 H ATOM 38991 H2 TIP3 2296 65.342 89.024 -15.595 1.00 0.00 WT3 H ATOM 38992 OH2 TIP3 2297 78.788 58.568 13.088 1.00 0.00 WT3 O ATOM 38993 H1 TIP3 2297 79.475 58.908 13.660 1.00 0.00 WT3 H ATOM 38994 H2 TIP3 2297 78.341 57.907 13.616 1.00 0.00 WT3 H ATOM 38995 OH2 TIP3 2299 50.867 92.980 61.291 1.00 0.00 WT3 O ATOM 38996 H1 TIP3 2299 51.475 93.031 60.553 1.00 0.00 WT3 H ATOM 38997 H2 TIP3 2299 50.230 93.675 61.125 1.00 0.00 WT3 H ATOM 38998 OH2 TIP3 2300 70.869 81.904 -5.807 1.00 0.00 WT3 O ATOM 38999 H1 TIP3 2300 70.613 81.969 -4.886 1.00 0.00 WT3 H ATOM 39000 H2 TIP3 2300 71.384 81.099 -5.856 1.00 0.00 WT3 H ATOM 39001 OH2 TIP3 2301 77.956 54.080 24.656 1.00 0.00 WT3 O ATOM 39002 H1 TIP3 2301 77.290 53.447 24.925 1.00 0.00 WT3 H ATOM 39003 H2 TIP3 2301 78.711 53.545 24.412 1.00 0.00 WT3 H ATOM 39004 OH2 TIP3 2302 77.250 21.059 54.748 1.00 0.00 WT3 O ATOM 39005 H1 TIP3 2302 76.870 20.628 53.983 1.00 0.00 WT3 H ATOM 39006 H2 TIP3 2302 78.149 21.263 54.487 1.00 0.00 WT3 H ATOM 39007 OH2 TIP3 2303 80.569 25.676 55.831 1.00 0.00 WT3 O ATOM 39008 H1 TIP3 2303 80.546 25.530 54.885 1.00 0.00 WT3 H ATOM 39009 H2 TIP3 2303 80.179 24.886 56.206 1.00 0.00 WT3 H ATOM 39010 OH2 TIP3 2304 30.636 50.194 30.288 1.00 0.00 WT3 O ATOM 39011 H1 TIP3 2304 29.916 49.677 30.649 1.00 0.00 WT3 H ATOM 39012 H2 TIP3 2304 30.252 50.652 29.541 1.00 0.00 WT3 H ATOM 39013 OH2 TIP3 2306 33.516 22.910 39.908 1.00 0.00 WT3 O ATOM 39014 H1 TIP3 2306 34.062 23.461 39.347 1.00 0.00 WT3 H ATOM 39015 H2 TIP3 2306 34.135 22.326 40.347 1.00 0.00 WT3 H ATOM 39016 OH2 TIP3 2307 35.781 77.146 38.067 1.00 0.00 WT3 O ATOM 39017 H1 TIP3 2307 34.929 76.742 37.904 1.00 0.00 WT3 H ATOM 39018 H2 TIP3 2307 36.282 76.981 37.269 1.00 0.00 WT3 H ATOM 39019 OH2 TIP3 2309 41.881 94.954 13.101 1.00 0.00 WT3 O ATOM 39020 H1 TIP3 2309 41.231 94.431 13.570 1.00 0.00 WT3 H ATOM 39021 H2 TIP3 2309 41.770 94.706 12.183 1.00 0.00 WT3 H ATOM 39022 OH2 TIP3 2310 88.136 17.200 65.153 1.00 0.00 WT3 O ATOM 39023 H1 TIP3 2310 87.874 16.393 65.596 1.00 0.00 WT3 H ATOM 39024 H2 TIP3 2310 87.558 17.255 64.393 1.00 0.00 WT3 H ATOM 39025 OH2 TIP3 2311 89.550 53.386 -4.223 1.00 0.00 WT3 O ATOM 39026 H1 TIP3 2311 88.803 53.634 -3.677 1.00 0.00 WT3 H ATOM 39027 H2 TIP3 2311 89.225 52.662 -4.758 1.00 0.00 WT3 H ATOM 39028 OH2 TIP3 2313 76.082 33.028 24.412 1.00 0.00 WT3 O ATOM 39029 H1 TIP3 2313 76.128 33.717 23.749 1.00 0.00 WT3 H ATOM 39030 H2 TIP3 2313 76.628 33.349 25.130 1.00 0.00 WT3 H ATOM 39031 OH2 TIP3 2314 65.626 71.022 26.481 1.00 0.00 WT3 O ATOM 39032 H1 TIP3 2314 65.091 70.518 25.867 1.00 0.00 WT3 H ATOM 39033 H2 TIP3 2314 65.223 70.865 27.335 1.00 0.00 WT3 H ATOM 39034 OH2 TIP3 2315 28.604 15.060 40.021 1.00 0.00 WT3 O ATOM 39035 H1 TIP3 2315 29.481 14.723 39.840 1.00 0.00 WT3 H ATOM 39036 H2 TIP3 2315 28.746 15.966 40.293 1.00 0.00 WT3 H ATOM 39037 OH2 TIP3 2316 74.716 93.932 -2.368 1.00 0.00 WT3 O ATOM 39038 H1 TIP3 2316 74.537 94.574 -3.055 1.00 0.00 WT3 H ATOM 39039 H2 TIP3 2316 74.816 94.454 -1.572 1.00 0.00 WT3 H ATOM 39040 OH2 TIP3 2317 30.670 91.278 14.285 1.00 0.00 WT3 O ATOM 39041 H1 TIP3 2317 30.016 91.842 13.872 1.00 0.00 WT3 H ATOM 39042 H2 TIP3 2317 30.879 91.716 15.110 1.00 0.00 WT3 H ATOM 39043 OH2 TIP3 2318 52.126 12.330 37.006 1.00 0.00 WT3 O ATOM 39044 H1 TIP3 2318 51.568 12.880 37.556 1.00 0.00 WT3 H ATOM 39045 H2 TIP3 2318 52.775 12.933 36.645 1.00 0.00 WT3 H ATOM 39046 OH2 TIP3 2319 33.568 12.417 25.534 1.00 0.00 WT3 O ATOM 39047 H1 TIP3 2319 34.012 11.702 25.077 1.00 0.00 WT3 H ATOM 39048 H2 TIP3 2319 32.636 12.217 25.443 1.00 0.00 WT3 H ATOM 39049 OH2 TIP3 2320 30.713 92.558 56.439 1.00 0.00 WT3 O ATOM 39050 H1 TIP3 2320 30.724 92.933 57.320 1.00 0.00 WT3 H ATOM 39051 H2 TIP3 2320 30.611 93.312 55.858 1.00 0.00 WT3 H ATOM 39052 OH2 TIP3 2321 56.497 23.047 14.115 1.00 0.00 WT3 O ATOM 39053 H1 TIP3 2321 55.592 22.966 13.813 1.00 0.00 WT3 H ATOM 39054 H2 TIP3 2321 56.433 23.526 14.941 1.00 0.00 WT3 H ATOM 39055 OH2 TIP3 2322 64.395 89.650 -13.850 1.00 0.00 WT3 O ATOM 39056 H1 TIP3 2322 63.643 90.107 -14.228 1.00 0.00 WT3 H ATOM 39057 H2 TIP3 2322 64.027 89.137 -13.130 1.00 0.00 WT3 H ATOM 39058 OH2 TIP3 2324 28.711 75.630 56.037 1.00 0.00 WT3 O ATOM 39059 H1 TIP3 2324 29.210 75.601 56.853 1.00 0.00 WT3 H ATOM 39060 H2 TIP3 2324 28.650 76.562 55.827 1.00 0.00 WT3 H ATOM 39061 OH2 TIP3 2325 55.055 93.351 13.586 1.00 0.00 WT3 O ATOM 39062 H1 TIP3 2325 54.839 94.257 13.365 1.00 0.00 WT3 H ATOM 39063 H2 TIP3 2325 54.716 92.838 12.853 1.00 0.00 WT3 H ATOM 39064 OH2 TIP3 2326 20.372 77.772 4.508 1.00 0.00 WT3 O ATOM 39065 H1 TIP3 2326 20.547 78.087 5.394 1.00 0.00 WT3 H ATOM 39066 H2 TIP3 2326 20.627 78.499 3.939 1.00 0.00 WT3 H ATOM 39067 OH2 TIP3 2327 82.099 47.463 -7.985 1.00 0.00 WT3 O ATOM 39068 H1 TIP3 2327 82.841 47.877 -7.544 1.00 0.00 WT3 H ATOM 39069 H2 TIP3 2327 81.768 48.134 -8.581 1.00 0.00 WT3 H ATOM 39070 OH2 TIP3 2328 28.843 94.264 52.194 1.00 0.00 WT3 O ATOM 39071 H1 TIP3 2328 29.126 93.909 51.351 1.00 0.00 WT3 H ATOM 39072 H2 TIP3 2328 28.454 93.518 52.650 1.00 0.00 WT3 H ATOM 39073 OH2 TIP3 2329 70.965 41.697 1.321 1.00 0.00 WT3 O ATOM 39074 H1 TIP3 2329 70.706 42.562 1.640 1.00 0.00 WT3 H ATOM 39075 H2 TIP3 2329 71.753 41.859 0.802 1.00 0.00 WT3 H ATOM 39076 OH2 TIP3 2330 32.662 82.372 56.144 1.00 0.00 WT3 O ATOM 39077 H1 TIP3 2330 32.998 81.708 56.746 1.00 0.00 WT3 H ATOM 39078 H2 TIP3 2330 32.574 81.915 55.308 1.00 0.00 WT3 H ATOM 39079 OH2 TIP3 2331 28.650 69.812 -18.115 1.00 0.00 WT3 O ATOM 39080 H1 TIP3 2331 28.357 68.902 -18.066 1.00 0.00 WT3 H ATOM 39081 H2 TIP3 2331 29.035 69.987 -17.256 1.00 0.00 WT3 H ATOM 39082 OH2 TIP3 2332 88.297 42.624 62.375 1.00 0.00 WT3 O ATOM 39083 H1 TIP3 2332 87.544 43.216 62.390 1.00 0.00 WT3 H ATOM 39084 H2 TIP3 2332 89.033 43.165 62.660 1.00 0.00 WT3 H ATOM 39085 OH2 TIP3 2333 43.569 57.186 65.212 1.00 0.00 WT3 O ATOM 39086 H1 TIP3 2333 44.422 56.769 65.091 1.00 0.00 WT3 H ATOM 39087 H2 TIP3 2333 43.749 57.941 65.773 1.00 0.00 WT3 H ATOM 39088 OH2 TIP3 2334 71.242 10.750 36.567 1.00 0.00 WT3 O ATOM 39089 H1 TIP3 2334 72.102 11.061 36.285 1.00 0.00 WT3 H ATOM 39090 H2 TIP3 2334 70.627 11.163 35.961 1.00 0.00 WT3 H ATOM 39091 OH2 TIP3 2335 32.677 2.519 65.154 1.00 0.00 WT3 O ATOM 39092 H1 TIP3 2335 33.105 1.913 64.549 1.00 0.00 WT3 H ATOM 39093 H2 TIP3 2335 33.338 2.696 65.823 1.00 0.00 WT3 H ATOM 39094 OH2 TIP3 2339 49.389 65.835 63.484 1.00 0.00 WT3 O ATOM 39095 H1 TIP3 2339 49.958 66.322 64.080 1.00 0.00 WT3 H ATOM 39096 H2 TIP3 2339 49.812 64.981 63.394 1.00 0.00 WT3 H ATOM 39097 OH2 TIP3 2340 71.670 91.000 -11.034 1.00 0.00 WT3 O ATOM 39098 H1 TIP3 2340 71.959 90.234 -11.529 1.00 0.00 WT3 H ATOM 39099 H2 TIP3 2340 70.783 90.780 -10.748 1.00 0.00 WT3 H ATOM 39100 OH2 TIP3 2341 23.592 81.583 50.151 1.00 0.00 WT3 O ATOM 39101 H1 TIP3 2341 24.543 81.493 50.096 1.00 0.00 WT3 H ATOM 39102 H2 TIP3 2341 23.253 80.757 49.808 1.00 0.00 WT3 H ATOM 39103 OH2 TIP3 2342 79.326 90.694 -5.438 1.00 0.00 WT3 O ATOM 39104 H1 TIP3 2342 78.912 91.168 -4.717 1.00 0.00 WT3 H ATOM 39105 H2 TIP3 2342 78.672 90.049 -5.708 1.00 0.00 WT3 H ATOM 39106 OH2 TIP3 2345 82.956 63.481 64.954 1.00 0.00 WT3 O ATOM 39107 H1 TIP3 2345 82.879 63.311 65.893 1.00 0.00 WT3 H ATOM 39108 H2 TIP3 2345 83.899 63.534 64.796 1.00 0.00 WT3 H ATOM 39109 OH2 TIP3 2346 68.545 60.209 -7.967 1.00 0.00 WT3 O ATOM 39110 H1 TIP3 2346 68.886 61.056 -7.680 1.00 0.00 WT3 H ATOM 39111 H2 TIP3 2346 68.406 59.719 -7.156 1.00 0.00 WT3 H ATOM 39112 OH2 TIP3 2347 85.400 53.863 34.342 1.00 0.00 WT3 O ATOM 39113 H1 TIP3 2347 85.392 53.959 33.390 1.00 0.00 WT3 H ATOM 39114 H2 TIP3 2347 84.818 54.555 34.658 1.00 0.00 WT3 H ATOM 39115 OH2 TIP3 2348 43.905 21.343 -9.887 1.00 0.00 WT3 O ATOM 39116 H1 TIP3 2348 44.513 20.603 -9.898 1.00 0.00 WT3 H ATOM 39117 H2 TIP3 2348 44.130 21.826 -9.091 1.00 0.00 WT3 H ATOM 39118 OH2 TIP3 2349 46.555 49.614 53.987 1.00 0.00 WT3 O ATOM 39119 H1 TIP3 2349 46.758 50.454 54.397 1.00 0.00 WT3 H ATOM 39120 H2 TIP3 2349 47.357 49.375 53.520 1.00 0.00 WT3 H ATOM 39121 OH2 TIP3 2350 38.487 76.457 63.737 1.00 0.00 WT3 O ATOM 39122 H1 TIP3 2350 38.361 76.377 62.791 1.00 0.00 WT3 H ATOM 39123 H2 TIP3 2350 38.462 75.557 64.059 1.00 0.00 WT3 H ATOM 39124 OH2 TIP3 2351 55.554 56.719 60.112 1.00 0.00 WT3 O ATOM 39125 H1 TIP3 2351 55.804 55.944 59.609 1.00 0.00 WT3 H ATOM 39126 H2 TIP3 2351 54.956 56.388 60.783 1.00 0.00 WT3 H ATOM 39127 OH2 TIP3 2352 87.377 33.613 29.045 1.00 0.00 WT3 O ATOM 39128 H1 TIP3 2352 87.982 34.143 28.527 1.00 0.00 WT3 H ATOM 39129 H2 TIP3 2352 86.709 34.232 29.340 1.00 0.00 WT3 H ATOM 39130 OH2 TIP3 2353 40.406 23.637 7.574 1.00 0.00 WT3 O ATOM 39131 H1 TIP3 2353 41.298 23.966 7.684 1.00 0.00 WT3 H ATOM 39132 H2 TIP3 2353 39.879 24.422 7.422 1.00 0.00 WT3 H ATOM 39133 OH2 TIP3 2355 88.929 19.288 3.227 1.00 0.00 WT3 O ATOM 39134 H1 TIP3 2355 89.778 18.898 3.020 1.00 0.00 WT3 H ATOM 39135 H2 TIP3 2355 89.049 20.224 3.066 1.00 0.00 WT3 H ATOM 39136 OH2 TIP3 2356 77.648 76.469 47.331 1.00 0.00 WT3 O ATOM 39137 H1 TIP3 2356 77.786 77.010 46.553 1.00 0.00 WT3 H ATOM 39138 H2 TIP3 2356 77.741 77.076 48.065 1.00 0.00 WT3 H ATOM 39139 OH2 TIP3 2357 83.808 0.402 -6.499 1.00 0.00 WT3 O ATOM 39140 H1 TIP3 2357 83.554 1.046 -5.838 1.00 0.00 WT3 H ATOM 39141 H2 TIP3 2357 83.431 0.734 -7.314 1.00 0.00 WT3 H ATOM 39142 OH2 TIP3 2358 87.405 36.587 -9.446 1.00 0.00 WT3 O ATOM 39143 H1 TIP3 2358 87.424 37.530 -9.283 1.00 0.00 WT3 H ATOM 39144 H2 TIP3 2358 87.797 36.200 -8.663 1.00 0.00 WT3 H ATOM 39145 OH2 TIP3 2359 27.944 3.812 -19.443 1.00 0.00 WT3 O ATOM 39146 H1 TIP3 2359 28.721 4.354 -19.577 1.00 0.00 WT3 H ATOM 39147 H2 TIP3 2359 27.449 3.896 -20.259 1.00 0.00 WT3 H ATOM 39148 OH2 TIP3 2360 54.962 28.706 -6.574 1.00 0.00 WT3 O ATOM 39149 H1 TIP3 2360 54.216 28.307 -7.022 1.00 0.00 WT3 H ATOM 39150 H2 TIP3 2360 54.822 28.504 -5.649 1.00 0.00 WT3 H ATOM 39151 OH2 TIP3 2361 43.850 94.183 29.208 1.00 0.00 WT3 O ATOM 39152 H1 TIP3 2361 44.628 94.447 29.700 1.00 0.00 WT3 H ATOM 39153 H2 TIP3 2361 43.157 94.761 29.526 1.00 0.00 WT3 H ATOM 39154 OH2 TIP3 2362 68.930 45.529 58.802 1.00 0.00 WT3 O ATOM 39155 H1 TIP3 2362 69.858 45.652 59.002 1.00 0.00 WT3 H ATOM 39156 H2 TIP3 2362 68.507 46.321 59.133 1.00 0.00 WT3 H ATOM 39157 OH2 TIP3 2363 24.811 48.964 2.791 1.00 0.00 WT3 O ATOM 39158 H1 TIP3 2363 24.903 48.199 2.223 1.00 0.00 WT3 H ATOM 39159 H2 TIP3 2363 24.550 49.671 2.201 1.00 0.00 WT3 H ATOM 39160 OH2 TIP3 2365 53.031 89.753 33.726 1.00 0.00 WT3 O ATOM 39161 H1 TIP3 2365 52.368 89.166 33.362 1.00 0.00 WT3 H ATOM 39162 H2 TIP3 2365 52.723 89.944 34.612 1.00 0.00 WT3 H ATOM 39163 OH2 TIP3 2366 79.892 70.868 8.283 1.00 0.00 WT3 O ATOM 39164 H1 TIP3 2366 79.061 70.834 7.809 1.00 0.00 WT3 H ATOM 39165 H2 TIP3 2366 80.318 70.035 8.080 1.00 0.00 WT3 H ATOM 39166 OH2 TIP3 2367 21.142 71.943 21.737 1.00 0.00 WT3 O ATOM 39167 H1 TIP3 2367 20.241 72.262 21.795 1.00 0.00 WT3 H ATOM 39168 H2 TIP3 2367 21.205 71.277 22.422 1.00 0.00 WT3 H ATOM 39169 OH2 TIP3 2368 36.464 82.913 47.353 1.00 0.00 WT3 O ATOM 39170 H1 TIP3 2368 36.446 83.866 47.267 1.00 0.00 WT3 H ATOM 39171 H2 TIP3 2368 36.417 82.590 46.453 1.00 0.00 WT3 H ATOM 39172 OH2 TIP3 2374 21.528 70.555 51.927 1.00 0.00 WT3 O ATOM 39173 H1 TIP3 2374 22.146 70.005 51.446 1.00 0.00 WT3 H ATOM 39174 H2 TIP3 2374 21.308 70.044 52.706 1.00 0.00 WT3 H ATOM 39175 OH2 TIP3 2375 23.305 16.593 45.954 1.00 0.00 WT3 O ATOM 39176 H1 TIP3 2375 22.571 17.135 45.666 1.00 0.00 WT3 H ATOM 39177 H2 TIP3 2375 22.939 15.712 46.028 1.00 0.00 WT3 H ATOM 39178 OH2 TIP3 2376 21.095 26.478 19.880 1.00 0.00 WT3 O ATOM 39179 H1 TIP3 2376 20.716 26.147 19.065 1.00 0.00 WT3 H ATOM 39180 H2 TIP3 2376 21.974 26.101 19.906 1.00 0.00 WT3 H ATOM 39181 OH2 TIP3 2377 54.424 95.508 46.321 1.00 0.00 WT3 O ATOM 39182 H1 TIP3 2377 54.754 96.046 47.040 1.00 0.00 WT3 H ATOM 39183 H2 TIP3 2377 54.891 95.825 45.548 1.00 0.00 WT3 H ATOM 39184 OH2 TIP3 2379 62.501 70.436 63.390 1.00 0.00 WT3 O ATOM 39185 H1 TIP3 2379 63.185 70.782 62.816 1.00 0.00 WT3 H ATOM 39186 H2 TIP3 2379 62.087 69.742 62.878 1.00 0.00 WT3 H ATOM 39187 OH2 TIP3 2380 43.522 5.537 4.079 1.00 0.00 WT3 O ATOM 39188 H1 TIP3 2380 43.689 5.699 3.151 1.00 0.00 WT3 H ATOM 39189 H2 TIP3 2380 44.229 5.996 4.534 1.00 0.00 WT3 H ATOM 39190 OH2 TIP3 2381 30.854 12.738 53.637 1.00 0.00 WT3 O ATOM 39191 H1 TIP3 2381 31.804 12.681 53.541 1.00 0.00 WT3 H ATOM 39192 H2 TIP3 2381 30.590 13.415 53.014 1.00 0.00 WT3 H ATOM 39193 OH2 TIP3 2384 34.150 32.898 41.577 1.00 0.00 WT3 O ATOM 39194 H1 TIP3 2384 33.808 32.991 40.688 1.00 0.00 WT3 H ATOM 39195 H2 TIP3 2384 34.144 31.955 41.740 1.00 0.00 WT3 H ATOM 39196 OH2 TIP3 2388 28.484 12.017 51.405 1.00 0.00 WT3 O ATOM 39197 H1 TIP3 2388 28.368 11.255 50.838 1.00 0.00 WT3 H ATOM 39198 H2 TIP3 2388 28.744 11.650 52.250 1.00 0.00 WT3 H ATOM 39199 OH2 TIP3 2390 51.073 84.971 2.884 1.00 0.00 WT3 O ATOM 39200 H1 TIP3 2390 51.673 84.229 2.815 1.00 0.00 WT3 H ATOM 39201 H2 TIP3 2390 50.237 84.634 2.561 1.00 0.00 WT3 H ATOM 39202 OH2 TIP3 2393 73.882 25.425 -5.553 1.00 0.00 WT3 O ATOM 39203 H1 TIP3 2393 73.970 26.360 -5.736 1.00 0.00 WT3 H ATOM 39204 H2 TIP3 2393 73.810 25.373 -4.600 1.00 0.00 WT3 H ATOM 39205 OH2 TIP3 2394 42.221 73.401 66.042 1.00 0.00 WT3 O ATOM 39206 H1 TIP3 2394 41.373 73.065 66.332 1.00 0.00 WT3 H ATOM 39207 H2 TIP3 2394 42.853 73.005 66.641 1.00 0.00 WT3 H ATOM 39208 OH2 TIP3 2396 89.822 14.741 40.457 1.00 0.00 WT3 O ATOM 39209 H1 TIP3 2396 89.819 14.324 39.596 1.00 0.00 WT3 H ATOM 39210 H2 TIP3 2396 89.677 14.022 41.072 1.00 0.00 WT3 H ATOM 39211 OH2 TIP3 2397 47.051 82.759 21.783 1.00 0.00 WT3 O ATOM 39212 H1 TIP3 2397 47.989 82.613 21.661 1.00 0.00 WT3 H ATOM 39213 H2 TIP3 2397 46.690 81.885 21.932 1.00 0.00 WT3 H ATOM 39214 OH2 TIP3 2398 29.751 30.948 -15.299 1.00 0.00 WT3 O ATOM 39215 H1 TIP3 2398 30.620 31.291 -15.506 1.00 0.00 WT3 H ATOM 39216 H2 TIP3 2398 29.507 30.433 -16.068 1.00 0.00 WT3 H ATOM 39217 OH2 TIP3 2402 51.954 71.711 62.140 1.00 0.00 WT3 O ATOM 39218 H1 TIP3 2402 52.736 71.710 62.691 1.00 0.00 WT3 H ATOM 39219 H2 TIP3 2402 52.194 72.247 61.384 1.00 0.00 WT3 H ATOM 39220 OH2 TIP3 2405 64.707 69.958 29.149 1.00 0.00 WT3 O ATOM 39221 H1 TIP3 2405 64.880 69.134 29.605 1.00 0.00 WT3 H ATOM 39222 H2 TIP3 2405 63.780 69.912 28.914 1.00 0.00 WT3 H ATOM 39223 OH2 TIP3 2406 74.640 74.341 -7.112 1.00 0.00 WT3 O ATOM 39224 H1 TIP3 2406 74.978 73.595 -7.606 1.00 0.00 WT3 H ATOM 39225 H2 TIP3 2406 74.852 74.141 -6.200 1.00 0.00 WT3 H ATOM 39226 OH2 TIP3 2407 68.503 68.904 63.381 1.00 0.00 WT3 O ATOM 39227 H1 TIP3 2407 68.195 69.142 62.506 1.00 0.00 WT3 H ATOM 39228 H2 TIP3 2407 67.863 69.295 63.975 1.00 0.00 WT3 H ATOM 39229 OH2 TIP3 2408 73.053 82.309 26.229 1.00 0.00 WT3 O ATOM 39230 H1 TIP3 2408 72.467 82.057 25.516 1.00 0.00 WT3 H ATOM 39231 H2 TIP3 2408 73.700 82.882 25.817 1.00 0.00 WT3 H ATOM 39232 OH2 TIP3 2409 25.747 93.614 57.758 1.00 0.00 WT3 O ATOM 39233 H1 TIP3 2409 24.926 94.098 57.674 1.00 0.00 WT3 H ATOM 39234 H2 TIP3 2409 25.828 93.132 56.936 1.00 0.00 WT3 H ATOM 39235 OH2 TIP3 2411 28.700 84.293 64.587 1.00 0.00 WT3 O ATOM 39236 H1 TIP3 2411 28.131 84.189 65.350 1.00 0.00 WT3 H ATOM 39237 H2 TIP3 2411 28.421 85.118 64.190 1.00 0.00 WT3 H ATOM 39238 OH2 TIP3 2412 64.647 90.215 27.442 1.00 0.00 WT3 O ATOM 39239 H1 TIP3 2412 64.497 89.291 27.645 1.00 0.00 WT3 H ATOM 39240 H2 TIP3 2412 64.388 90.680 28.238 1.00 0.00 WT3 H ATOM 39241 OH2 TIP3 2413 52.946 96.523 -7.668 1.00 0.00 WT3 O ATOM 39242 H1 TIP3 2413 52.565 96.384 -8.535 1.00 0.00 WT3 H ATOM 39243 H2 TIP3 2413 53.708 95.945 -7.645 1.00 0.00 WT3 H ATOM 39244 OH2 TIP3 2414 34.983 80.534 43.142 1.00 0.00 WT3 O ATOM 39245 H1 TIP3 2414 35.718 80.069 43.541 1.00 0.00 WT3 H ATOM 39246 H2 TIP3 2414 35.333 80.875 42.319 1.00 0.00 WT3 H ATOM 39247 OH2 TIP3 2415 77.497 12.178 51.043 1.00 0.00 WT3 O ATOM 39248 H1 TIP3 2415 76.658 11.851 51.368 1.00 0.00 WT3 H ATOM 39249 H2 TIP3 2415 77.268 12.949 50.523 1.00 0.00 WT3 H ATOM 39250 OH2 TIP3 2418 26.413 73.560 -6.256 1.00 0.00 WT3 O ATOM 39251 H1 TIP3 2418 26.763 72.688 -6.069 1.00 0.00 WT3 H ATOM 39252 H2 TIP3 2418 25.479 73.416 -6.407 1.00 0.00 WT3 H ATOM 39253 OH2 TIP3 2426 31.959 29.914 13.999 1.00 0.00 WT3 O ATOM 39254 H1 TIP3 2426 32.517 30.619 13.668 1.00 0.00 WT3 H ATOM 39255 H2 TIP3 2426 31.078 30.288 14.004 1.00 0.00 WT3 H ATOM 39256 OH2 TIP3 2427 70.213 2.268 8.481 1.00 0.00 WT3 O ATOM 39257 H1 TIP3 2427 70.372 2.133 7.547 1.00 0.00 WT3 H ATOM 39258 H2 TIP3 2427 70.922 2.845 8.764 1.00 0.00 WT3 H ATOM 39259 OH2 TIP3 2432 86.380 37.305 66.262 1.00 0.00 WT3 O ATOM 39260 H1 TIP3 2432 85.630 37.826 65.974 1.00 0.00 WT3 H ATOM 39261 H2 TIP3 2432 86.413 36.573 65.645 1.00 0.00 WT3 H ATOM 39262 OH2 TIP3 2434 33.147 67.936 -14.328 1.00 0.00 WT3 O ATOM 39263 H1 TIP3 2434 33.885 68.291 -14.823 1.00 0.00 WT3 H ATOM 39264 H2 TIP3 2434 32.424 67.918 -14.955 1.00 0.00 WT3 H ATOM 39265 OH2 TIP3 2435 72.779 70.199 65.371 1.00 0.00 WT3 O ATOM 39266 H1 TIP3 2435 72.204 70.014 64.629 1.00 0.00 WT3 H ATOM 39267 H2 TIP3 2435 72.183 70.367 66.101 1.00 0.00 WT3 H ATOM 39268 OH2 TIP3 2436 86.155 71.919 -19.360 1.00 0.00 WT3 O ATOM 39269 H1 TIP3 2436 85.431 72.386 -19.778 1.00 0.00 WT3 H ATOM 39270 H2 TIP3 2436 85.917 71.889 -18.434 1.00 0.00 WT3 H ATOM 39271 OH2 TIP3 2444 84.451 59.173 16.156 1.00 0.00 WT3 O ATOM 39272 H1 TIP3 2444 84.441 58.519 15.457 1.00 0.00 WT3 H ATOM 39273 H2 TIP3 2444 84.718 59.984 15.723 1.00 0.00 WT3 H ATOM 39274 OH2 TIP3 2445 47.151 59.995 -3.034 1.00 0.00 WT3 O ATOM 39275 H1 TIP3 2445 47.003 60.205 -2.112 1.00 0.00 WT3 H ATOM 39276 H2 TIP3 2445 46.676 59.175 -3.173 1.00 0.00 WT3 H ATOM 39277 OH2 TIP3 2449 45.248 54.533 29.546 1.00 0.00 WT3 O ATOM 39278 H1 TIP3 2449 45.353 54.233 28.643 1.00 0.00 WT3 H ATOM 39279 H2 TIP3 2449 44.924 55.430 29.465 1.00 0.00 WT3 H ATOM 39280 OH2 TIP3 2451 24.857 76.382 -16.219 1.00 0.00 WT3 O ATOM 39281 H1 TIP3 2451 23.967 76.038 -16.293 1.00 0.00 WT3 H ATOM 39282 H2 TIP3 2451 25.409 75.705 -16.610 1.00 0.00 WT3 H ATOM 39283 OH2 TIP3 2453 80.721 0.512 61.344 1.00 0.00 WT3 O ATOM 39284 H1 TIP3 2453 81.574 0.092 61.460 1.00 0.00 WT3 H ATOM 39285 H2 TIP3 2453 80.895 1.446 61.464 1.00 0.00 WT3 H ATOM 39286 OH2 TIP3 2457 87.549 49.096 -12.165 1.00 0.00 WT3 O ATOM 39287 H1 TIP3 2457 87.525 49.367 -11.247 1.00 0.00 WT3 H ATOM 39288 H2 TIP3 2457 88.395 49.409 -12.486 1.00 0.00 WT3 H ATOM 39289 OH2 TIP3 2464 86.378 63.834 41.678 1.00 0.00 WT3 O ATOM 39290 H1 TIP3 2464 86.795 63.928 40.821 1.00 0.00 WT3 H ATOM 39291 H2 TIP3 2464 86.623 62.956 41.969 1.00 0.00 WT3 H ATOM 39292 OH2 TIP3 2469 76.868 25.193 1.863 1.00 0.00 WT3 O ATOM 39293 H1 TIP3 2469 76.600 24.663 1.112 1.00 0.00 WT3 H ATOM 39294 H2 TIP3 2469 76.201 25.877 1.924 1.00 0.00 WT3 H ATOM 39295 OH2 TIP3 2473 29.274 78.774 14.284 1.00 0.00 WT3 O ATOM 39296 H1 TIP3 2473 29.155 77.846 14.079 1.00 0.00 WT3 H ATOM 39297 H2 TIP3 2473 29.423 78.793 15.229 1.00 0.00 WT3 H ATOM 39298 OH2 TIP3 2475 77.475 63.554 -12.316 1.00 0.00 WT3 O ATOM 39299 H1 TIP3 2475 76.806 63.765 -11.664 1.00 0.00 WT3 H ATOM 39300 H2 TIP3 2475 77.938 64.379 -12.459 1.00 0.00 WT3 H ATOM 39301 OH2 TIP3 2476 76.395 73.523 56.365 1.00 0.00 WT3 O ATOM 39302 H1 TIP3 2476 76.066 73.049 57.129 1.00 0.00 WT3 H ATOM 39303 H2 TIP3 2476 76.827 74.295 56.730 1.00 0.00 WT3 H ATOM 39304 OH2 TIP3 2508 60.286 9.186 38.825 1.00 0.00 WT3 O ATOM 39305 H1 TIP3 2508 59.980 10.037 38.511 1.00 0.00 WT3 H ATOM 39306 H2 TIP3 2508 59.584 8.579 38.594 1.00 0.00 WT3 H ATOM 39307 OH2 TIP3 2513 20.895 74.577 -10.891 1.00 0.00 WT3 O ATOM 39308 H1 TIP3 2513 21.600 74.854 -11.477 1.00 0.00 WT3 H ATOM 39309 H2 TIP3 2513 21.158 74.901 -10.030 1.00 0.00 WT3 H ATOM 39310 OH2 TIP3 2561 90.001 28.779 4.730 1.00 0.00 WT3 O ATOM 39311 H1 TIP3 2561 90.192 28.700 5.665 1.00 0.00 WT3 H ATOM 39312 H2 TIP3 2561 90.741 29.271 4.375 1.00 0.00 WT3 H ATOM 39313 OH2 TIP3 2587 89.488 51.855 67.232 1.00 0.00 WT3 O ATOM 39314 H1 TIP3 2587 89.003 51.037 67.119 1.00 0.00 WT3 H ATOM 39315 H2 TIP3 2587 90.321 51.703 66.786 1.00 0.00 WT3 H ATOM 39316 OH2 TIP3 2591 46.150 33.764 -5.594 1.00 0.00 WT3 O ATOM 39317 H1 TIP3 2591 45.615 34.295 -5.004 1.00 0.00 WT3 H ATOM 39318 H2 TIP3 2591 46.882 34.333 -5.833 1.00 0.00 WT3 H ATOM 39319 OH2 TIP3 2606 68.057 63.857 -9.831 1.00 0.00 WT3 O ATOM 39320 H1 TIP3 2606 67.714 64.708 -9.558 1.00 0.00 WT3 H ATOM 39321 H2 TIP3 2606 67.853 63.271 -9.102 1.00 0.00 WT3 H ATOM 39322 OH2 TIP3 2607 62.928 50.414 58.150 1.00 0.00 WT3 O ATOM 39323 H1 TIP3 2607 62.730 51.098 58.789 1.00 0.00 WT3 H ATOM 39324 H2 TIP3 2607 62.704 50.803 57.304 1.00 0.00 WT3 H ATOM 39325 OH2 TIP3 2608 46.956 48.720 -12.558 1.00 0.00 WT3 O ATOM 39326 H1 TIP3 2608 47.451 49.536 -12.633 1.00 0.00 WT3 H ATOM 39327 H2 TIP3 2608 46.807 48.616 -11.618 1.00 0.00 WT3 H ATOM 39328 OH2 TIP3 2610 45.773 90.555 25.995 1.00 0.00 WT3 O ATOM 39329 H1 TIP3 2610 46.606 90.472 26.460 1.00 0.00 WT3 H ATOM 39330 H2 TIP3 2610 45.230 91.095 26.569 1.00 0.00 WT3 H ATOM 39331 OH2 TIP3 2616 78.959 43.132 -10.274 1.00 0.00 WT3 O ATOM 39332 H1 TIP3 2616 78.662 43.896 -9.780 1.00 0.00 WT3 H ATOM 39333 H2 TIP3 2616 79.344 42.554 -9.615 1.00 0.00 WT3 H ATOM 39334 OH2 TIP3 2617 26.940 84.021 -17.287 1.00 0.00 WT3 O ATOM 39335 H1 TIP3 2617 26.145 83.523 -17.096 1.00 0.00 WT3 H ATOM 39336 H2 TIP3 2617 27.576 83.715 -16.641 1.00 0.00 WT3 H ATOM 39337 OH2 TIP3 2624 87.958 64.934 51.549 1.00 0.00 WT3 O ATOM 39338 H1 TIP3 2624 87.819 64.613 50.659 1.00 0.00 WT3 H ATOM 39339 H2 TIP3 2624 87.077 65.042 51.907 1.00 0.00 WT3 H ATOM 39340 OH2 TIP3 2626 29.980 82.679 -18.891 1.00 0.00 WT3 O ATOM 39341 H1 TIP3 2626 30.084 82.444 -19.813 1.00 0.00 WT3 H ATOM 39342 H2 TIP3 2626 30.366 83.552 -18.821 1.00 0.00 WT3 H ATOM 39343 OH2 TIP3 2628 69.028 60.540 -15.096 1.00 0.00 WT3 O ATOM 39344 H1 TIP3 2628 69.206 61.463 -14.913 1.00 0.00 WT3 H ATOM 39345 H2 TIP3 2628 69.502 60.362 -15.909 1.00 0.00 WT3 H ATOM 39346 OH2 TIP3 2629 22.851 80.309 34.010 1.00 0.00 WT3 O ATOM 39347 H1 TIP3 2629 23.615 80.341 33.434 1.00 0.00 WT3 H ATOM 39348 H2 TIP3 2629 22.121 80.097 33.429 1.00 0.00 WT3 H ATOM 39349 OH2 TIP3 2630 87.457 93.368 56.323 1.00 0.00 WT3 O ATOM 39350 H1 TIP3 2630 86.685 92.830 56.146 1.00 0.00 WT3 H ATOM 39351 H2 TIP3 2630 88.164 92.736 56.453 1.00 0.00 WT3 H ATOM 39352 OH2 TIP3 2632 65.996 25.424 28.690 1.00 0.00 WT3 O ATOM 39353 H1 TIP3 2632 66.636 24.916 29.189 1.00 0.00 WT3 H ATOM 39354 H2 TIP3 2632 65.938 26.259 29.155 1.00 0.00 WT3 H ATOM 39355 OH2 TIP3 2633 49.458 28.485 1.511 1.00 0.00 WT3 O ATOM 39356 H1 TIP3 2633 49.351 27.536 1.578 1.00 0.00 WT3 H ATOM 39357 H2 TIP3 2633 50.195 28.685 2.087 1.00 0.00 WT3 H ATOM 39358 OH2 TIP3 2634 31.337 60.399 17.643 1.00 0.00 WT3 O ATOM 39359 H1 TIP3 2634 31.844 59.816 17.079 1.00 0.00 WT3 H ATOM 39360 H2 TIP3 2634 30.997 59.829 18.333 1.00 0.00 WT3 H ATOM 39361 OH2 TIP3 2638 82.219 27.731 -1.919 1.00 0.00 WT3 O ATOM 39362 H1 TIP3 2638 81.804 27.103 -2.510 1.00 0.00 WT3 H ATOM 39363 H2 TIP3 2638 81.514 28.326 -1.666 1.00 0.00 WT3 H ATOM 39364 OH2 TIP3 2644 74.790 59.246 -6.540 1.00 0.00 WT3 O ATOM 39365 H1 TIP3 2644 74.215 59.823 -7.043 1.00 0.00 WT3 H ATOM 39366 H2 TIP3 2644 74.691 59.541 -5.634 1.00 0.00 WT3 H ATOM 39367 OH2 TIP3 2646 71.899 14.536 -14.239 1.00 0.00 WT3 O ATOM 39368 H1 TIP3 2646 71.619 15.433 -14.421 1.00 0.00 WT3 H ATOM 39369 H2 TIP3 2646 72.545 14.623 -13.539 1.00 0.00 WT3 H ATOM 39370 OH2 TIP3 2649 60.324 59.486 -2.084 1.00 0.00 WT3 O ATOM 39371 H1 TIP3 2649 59.762 59.875 -1.413 1.00 0.00 WT3 H ATOM 39372 H2 TIP3 2649 60.152 60.004 -2.870 1.00 0.00 WT3 H ATOM 39373 OH2 TIP3 2650 73.301 19.565 50.857 1.00 0.00 WT3 O ATOM 39374 H1 TIP3 2650 73.588 20.470 50.976 1.00 0.00 WT3 H ATOM 39375 H2 TIP3 2650 73.273 19.446 49.907 1.00 0.00 WT3 H ATOM 39376 OH2 TIP3 2652 29.867 3.553 -10.941 1.00 0.00 WT3 O ATOM 39377 H1 TIP3 2652 29.537 2.889 -11.547 1.00 0.00 WT3 H ATOM 39378 H2 TIP3 2652 30.155 3.057 -10.175 1.00 0.00 WT3 H ATOM 39379 OH2 TIP3 2654 78.713 66.868 36.274 1.00 0.00 WT3 O ATOM 39380 H1 TIP3 2654 78.841 67.414 35.499 1.00 0.00 WT3 H ATOM 39381 H2 TIP3 2654 78.597 65.983 35.928 1.00 0.00 WT3 H ATOM 39382 OH2 TIP3 2656 44.592 38.605 25.934 1.00 0.00 WT3 O ATOM 39383 H1 TIP3 2656 44.593 37.684 25.673 1.00 0.00 WT3 H ATOM 39384 H2 TIP3 2656 45.136 39.041 25.279 1.00 0.00 WT3 H ATOM 39385 OH2 TIP3 2657 38.797 69.631 8.049 1.00 0.00 WT3 O ATOM 39386 H1 TIP3 2657 39.379 69.339 8.751 1.00 0.00 WT3 H ATOM 39387 H2 TIP3 2657 38.292 68.852 7.817 1.00 0.00 WT3 H ATOM 39388 OH2 TIP3 2659 20.344 70.097 57.018 1.00 0.00 WT3 O ATOM 39389 H1 TIP3 2659 21.135 70.015 57.551 1.00 0.00 WT3 H ATOM 39390 H2 TIP3 2659 20.233 69.235 56.618 1.00 0.00 WT3 H ATOM 39391 OH2 TIP3 2661 89.405 25.094 65.341 1.00 0.00 WT3 O ATOM 39392 H1 TIP3 2661 89.950 25.240 66.114 1.00 0.00 WT3 H ATOM 39393 H2 TIP3 2661 88.522 24.968 65.690 1.00 0.00 WT3 H ATOM 39394 OH2 TIP3 2665 31.487 1.299 26.268 1.00 0.00 WT3 O ATOM 39395 H1 TIP3 2665 31.374 2.032 25.664 1.00 0.00 WT3 H ATOM 39396 H2 TIP3 2665 30.866 0.638 25.962 1.00 0.00 WT3 H ATOM 39397 OH2 TIP3 2667 42.538 79.514 14.969 1.00 0.00 WT3 O ATOM 39398 H1 TIP3 2667 42.540 79.033 14.141 1.00 0.00 WT3 H ATOM 39399 H2 TIP3 2667 42.838 78.877 15.617 1.00 0.00 WT3 H ATOM 39400 OH2 TIP3 2669 79.106 38.894 45.646 1.00 0.00 WT3 O ATOM 39401 H1 TIP3 2669 79.584 38.382 46.298 1.00 0.00 WT3 H ATOM 39402 H2 TIP3 2669 79.670 38.885 44.873 1.00 0.00 WT3 H ATOM 39403 OH2 TIP3 2670 74.797 16.322 51.939 1.00 0.00 WT3 O ATOM 39404 H1 TIP3 2670 74.815 15.378 52.096 1.00 0.00 WT3 H ATOM 39405 H2 TIP3 2670 74.324 16.681 52.690 1.00 0.00 WT3 H ATOM 39406 OH2 TIP3 2672 28.507 50.841 -1.409 1.00 0.00 WT3 O ATOM 39407 H1 TIP3 2672 28.092 50.356 -0.696 1.00 0.00 WT3 H ATOM 39408 H2 TIP3 2672 28.842 50.164 -1.997 1.00 0.00 WT3 H ATOM 39409 OH2 TIP3 2673 68.558 9.068 48.097 1.00 0.00 WT3 O ATOM 39410 H1 TIP3 2673 68.833 9.982 48.028 1.00 0.00 WT3 H ATOM 39411 H2 TIP3 2673 68.126 8.883 47.263 1.00 0.00 WT3 H ATOM 39412 OH2 TIP3 2675 37.995 38.872 28.349 1.00 0.00 WT3 O ATOM 39413 H1 TIP3 2675 37.766 38.248 29.038 1.00 0.00 WT3 H ATOM 39414 H2 TIP3 2675 38.906 38.671 28.137 1.00 0.00 WT3 H ATOM 39415 OH2 TIP3 2676 34.652 28.508 9.671 1.00 0.00 WT3 O ATOM 39416 H1 TIP3 2676 35.192 28.586 10.457 1.00 0.00 WT3 H ATOM 39417 H2 TIP3 2676 33.771 28.747 9.961 1.00 0.00 WT3 H ATOM 39418 OH2 TIP3 2677 84.797 9.767 -18.971 1.00 0.00 WT3 O ATOM 39419 H1 TIP3 2677 85.262 9.485 -19.759 1.00 0.00 WT3 H ATOM 39420 H2 TIP3 2677 85.158 9.223 -18.271 1.00 0.00 WT3 H ATOM 39421 OH2 TIP3 2678 30.068 21.806 4.903 1.00 0.00 WT3 O ATOM 39422 H1 TIP3 2678 30.521 20.974 5.035 1.00 0.00 WT3 H ATOM 39423 H2 TIP3 2678 30.762 22.464 4.927 1.00 0.00 WT3 H ATOM 39424 OH2 TIP3 2680 49.056 15.786 -5.954 1.00 0.00 WT3 O ATOM 39425 H1 TIP3 2680 48.110 15.910 -5.873 1.00 0.00 WT3 H ATOM 39426 H2 TIP3 2680 49.291 15.235 -5.207 1.00 0.00 WT3 H ATOM 39427 OH2 TIP3 2681 58.826 0.715 37.926 1.00 0.00 WT3 O ATOM 39428 H1 TIP3 2681 59.538 1.307 37.686 1.00 0.00 WT3 H ATOM 39429 H2 TIP3 2681 58.029 1.193 37.698 1.00 0.00 WT3 H ATOM 39430 OH2 TIP3 2682 86.690 62.302 32.189 1.00 0.00 WT3 O ATOM 39431 H1 TIP3 2682 85.885 62.025 31.751 1.00 0.00 WT3 H ATOM 39432 H2 TIP3 2682 86.478 62.269 33.122 1.00 0.00 WT3 H ATOM 39433 OH2 TIP3 2684 65.931 2.423 19.959 1.00 0.00 WT3 O ATOM 39434 H1 TIP3 2684 66.070 2.384 20.905 1.00 0.00 WT3 H ATOM 39435 H2 TIP3 2684 65.919 3.359 19.756 1.00 0.00 WT3 H ATOM 39436 OH2 TIP3 2685 57.069 12.936 38.273 1.00 0.00 WT3 O ATOM 39437 H1 TIP3 2685 57.086 12.762 39.214 1.00 0.00 WT3 H ATOM 39438 H2 TIP3 2685 56.353 13.560 38.157 1.00 0.00 WT3 H ATOM 39439 OH2 TIP3 2688 36.039 52.138 31.989 1.00 0.00 WT3 O ATOM 39440 H1 TIP3 2688 35.152 52.459 31.829 1.00 0.00 WT3 H ATOM 39441 H2 TIP3 2688 36.605 52.758 31.528 1.00 0.00 WT3 H ATOM 39442 OH2 TIP3 2689 53.292 50.755 48.464 1.00 0.00 WT3 O ATOM 39443 H1 TIP3 2689 52.819 51.415 47.956 1.00 0.00 WT3 H ATOM 39444 H2 TIP3 2689 53.421 50.029 47.854 1.00 0.00 WT3 H ATOM 39445 OH2 TIP3 2690 80.658 79.073 31.779 1.00 0.00 WT3 O ATOM 39446 H1 TIP3 2690 80.969 78.583 31.017 1.00 0.00 WT3 H ATOM 39447 H2 TIP3 2690 80.709 79.990 31.512 1.00 0.00 WT3 H ATOM 39448 OH2 TIP3 2691 74.163 33.857 36.499 1.00 0.00 WT3 O ATOM 39449 H1 TIP3 2691 74.502 33.313 35.789 1.00 0.00 WT3 H ATOM 39450 H2 TIP3 2691 74.937 34.092 37.012 1.00 0.00 WT3 H ATOM 39451 OH2 TIP3 2692 26.912 44.304 27.612 1.00 0.00 WT3 O ATOM 39452 H1 TIP3 2692 26.921 43.595 26.970 1.00 0.00 WT3 H ATOM 39453 H2 TIP3 2692 26.306 44.950 27.247 1.00 0.00 WT3 H ATOM 39454 OH2 TIP3 2693 70.649 67.093 60.982 1.00 0.00 WT3 O ATOM 39455 H1 TIP3 2693 71.211 67.025 60.210 1.00 0.00 WT3 H ATOM 39456 H2 TIP3 2693 70.577 66.195 61.306 1.00 0.00 WT3 H ATOM 39457 OH2 TIP3 2694 71.032 58.587 -9.331 1.00 0.00 WT3 O ATOM 39458 H1 TIP3 2694 70.085 58.648 -9.456 1.00 0.00 WT3 H ATOM 39459 H2 TIP3 2694 71.143 58.498 -8.384 1.00 0.00 WT3 H ATOM 39460 OH2 TIP3 2695 66.426 63.938 19.939 1.00 0.00 WT3 O ATOM 39461 H1 TIP3 2695 67.247 63.668 19.528 1.00 0.00 WT3 H ATOM 39462 H2 TIP3 2695 65.911 63.133 19.995 1.00 0.00 WT3 H ATOM 39463 OH2 TIP3 2697 77.876 69.543 -15.388 1.00 0.00 WT3 O ATOM 39464 H1 TIP3 2697 78.490 68.811 -15.432 1.00 0.00 WT3 H ATOM 39465 H2 TIP3 2697 77.071 69.161 -15.037 1.00 0.00 WT3 H ATOM 39466 OH2 TIP3 2698 66.872 25.399 46.004 1.00 0.00 WT3 O ATOM 39467 H1 TIP3 2698 66.868 25.897 46.821 1.00 0.00 WT3 H ATOM 39468 H2 TIP3 2698 67.798 25.239 45.824 1.00 0.00 WT3 H ATOM 39469 OH2 TIP3 2699 38.251 65.328 30.239 1.00 0.00 WT3 O ATOM 39470 H1 TIP3 2699 38.778 65.218 29.447 1.00 0.00 WT3 H ATOM 39471 H2 TIP3 2699 37.860 64.468 30.389 1.00 0.00 WT3 H ATOM 39472 OH2 TIP3 2701 85.873 66.061 -15.796 1.00 0.00 WT3 O ATOM 39473 H1 TIP3 2701 85.113 65.719 -15.326 1.00 0.00 WT3 H ATOM 39474 H2 TIP3 2701 85.682 66.991 -15.919 1.00 0.00 WT3 H ATOM 39475 OH2 TIP3 2702 86.886 74.510 55.075 1.00 0.00 WT3 O ATOM 39476 H1 TIP3 2702 86.478 75.376 55.091 1.00 0.00 WT3 H ATOM 39477 H2 TIP3 2702 87.712 74.625 55.545 1.00 0.00 WT3 H ATOM 39478 OH2 TIP3 2705 50.368 18.098 28.254 1.00 0.00 WT3 O ATOM 39479 H1 TIP3 2705 51.148 18.635 28.116 1.00 0.00 WT3 H ATOM 39480 H2 TIP3 2705 49.643 18.644 27.951 1.00 0.00 WT3 H ATOM 39481 OH2 TIP3 2706 48.355 65.704 13.624 1.00 0.00 WT3 O ATOM 39482 H1 TIP3 2706 48.536 66.631 13.780 1.00 0.00 WT3 H ATOM 39483 H2 TIP3 2706 48.672 65.262 14.411 1.00 0.00 WT3 H ATOM 39484 OH2 TIP3 2707 63.577 75.986 5.205 1.00 0.00 WT3 O ATOM 39485 H1 TIP3 2707 63.045 76.036 5.999 1.00 0.00 WT3 H ATOM 39486 H2 TIP3 2707 64.028 75.144 5.271 1.00 0.00 WT3 H ATOM 39487 OH2 TIP3 2709 54.712 56.905 0.799 1.00 0.00 WT3 O ATOM 39488 H1 TIP3 2709 54.447 56.615 1.671 1.00 0.00 WT3 H ATOM 39489 H2 TIP3 2709 54.613 57.857 0.822 1.00 0.00 WT3 H ATOM 39490 OH2 TIP3 2710 38.173 8.808 -6.483 1.00 0.00 WT3 O ATOM 39491 H1 TIP3 2710 38.226 9.149 -7.376 1.00 0.00 WT3 H ATOM 39492 H2 TIP3 2710 38.217 7.857 -6.586 1.00 0.00 WT3 H ATOM 39493 OH2 TIP3 2713 24.023 85.176 43.344 1.00 0.00 WT3 O ATOM 39494 H1 TIP3 2713 24.847 85.657 43.422 1.00 0.00 WT3 H ATOM 39495 H2 TIP3 2713 24.134 84.634 42.563 1.00 0.00 WT3 H ATOM 39496 OH2 TIP3 2714 81.965 49.836 -12.095 1.00 0.00 WT3 O ATOM 39497 H1 TIP3 2714 81.564 50.599 -11.678 1.00 0.00 WT3 H ATOM 39498 H2 TIP3 2714 82.266 50.157 -12.945 1.00 0.00 WT3 H ATOM 39499 OH2 TIP3 2715 27.628 38.167 47.178 1.00 0.00 WT3 O ATOM 39500 H1 TIP3 2715 28.540 37.979 46.956 1.00 0.00 WT3 H ATOM 39501 H2 TIP3 2715 27.482 39.058 46.861 1.00 0.00 WT3 H ATOM 39502 OH2 TIP3 2717 37.605 25.362 -18.760 1.00 0.00 WT3 O ATOM 39503 H1 TIP3 2717 36.863 25.909 -18.504 1.00 0.00 WT3 H ATOM 39504 H2 TIP3 2717 37.207 24.575 -19.131 1.00 0.00 WT3 H ATOM 39505 OH2 TIP3 2718 31.959 66.479 66.069 1.00 0.00 WT3 O ATOM 39506 H1 TIP3 2718 32.647 66.811 66.647 1.00 0.00 WT3 H ATOM 39507 H2 TIP3 2718 32.377 65.768 65.583 1.00 0.00 WT3 H ATOM 39508 OH2 TIP3 2719 68.299 78.182 17.899 1.00 0.00 WT3 O ATOM 39509 H1 TIP3 2719 68.607 78.220 16.994 1.00 0.00 WT3 H ATOM 39510 H2 TIP3 2719 68.827 78.835 18.360 1.00 0.00 WT3 H ATOM 39511 OH2 TIP3 2720 23.414 53.910 52.004 1.00 0.00 WT3 O ATOM 39512 H1 TIP3 2720 22.798 53.603 52.669 1.00 0.00 WT3 H ATOM 39513 H2 TIP3 2720 23.360 54.865 52.049 1.00 0.00 WT3 H ATOM 39514 OH2 TIP3 2723 55.063 36.469 13.116 1.00 0.00 WT3 O ATOM 39515 H1 TIP3 2723 54.181 36.838 13.164 1.00 0.00 WT3 H ATOM 39516 H2 TIP3 2723 55.120 35.883 13.870 1.00 0.00 WT3 H ATOM 39517 OH2 TIP3 2724 49.495 75.393 -4.567 1.00 0.00 WT3 O ATOM 39518 H1 TIP3 2724 50.017 76.091 -4.171 1.00 0.00 WT3 H ATOM 39519 H2 TIP3 2724 50.001 74.597 -4.409 1.00 0.00 WT3 H ATOM 39520 OH2 TIP3 2726 70.712 16.651 63.589 1.00 0.00 WT3 O ATOM 39521 H1 TIP3 2726 70.789 15.703 63.483 1.00 0.00 WT3 H ATOM 39522 H2 TIP3 2726 69.836 16.858 63.264 1.00 0.00 WT3 H ATOM 39523 OH2 TIP3 2727 27.661 86.754 59.999 1.00 0.00 WT3 O ATOM 39524 H1 TIP3 2727 28.588 86.952 59.861 1.00 0.00 WT3 H ATOM 39525 H2 TIP3 2727 27.197 87.498 59.616 1.00 0.00 WT3 H ATOM 39526 OH2 TIP3 2731 29.064 56.678 -14.520 1.00 0.00 WT3 O ATOM 39527 H1 TIP3 2731 28.551 55.983 -14.933 1.00 0.00 WT3 H ATOM 39528 H2 TIP3 2731 29.768 56.219 -14.063 1.00 0.00 WT3 H ATOM 39529 OH2 TIP3 2732 37.829 7.701 29.937 1.00 0.00 WT3 O ATOM 39530 H1 TIP3 2732 38.168 8.417 30.475 1.00 0.00 WT3 H ATOM 39531 H2 TIP3 2732 37.547 7.039 30.569 1.00 0.00 WT3 H ATOM 39532 OH2 TIP3 2734 64.539 93.311 49.841 1.00 0.00 WT3 O ATOM 39533 H1 TIP3 2734 65.015 93.602 49.063 1.00 0.00 WT3 H ATOM 39534 H2 TIP3 2734 63.734 93.828 49.838 1.00 0.00 WT3 H ATOM 39535 OH2 TIP3 2735 68.706 94.767 22.007 1.00 0.00 WT3 O ATOM 39536 H1 TIP3 2735 67.885 94.976 21.562 1.00 0.00 WT3 H ATOM 39537 H2 TIP3 2735 68.627 93.841 22.236 1.00 0.00 WT3 H ATOM 39538 OH2 TIP3 2736 54.188 81.642 47.729 1.00 0.00 WT3 O ATOM 39539 H1 TIP3 2736 55.065 81.674 47.347 1.00 0.00 WT3 H ATOM 39540 H2 TIP3 2736 53.655 81.196 47.071 1.00 0.00 WT3 H ATOM 39541 OH2 TIP3 2737 44.645 58.926 -19.741 1.00 0.00 WT3 O ATOM 39542 H1 TIP3 2737 44.863 59.147 -18.835 1.00 0.00 WT3 H ATOM 39543 H2 TIP3 2737 45.128 59.564 -20.267 1.00 0.00 WT3 H ATOM 39544 OH2 TIP3 2738 67.325 71.019 12.043 1.00 0.00 WT3 O ATOM 39545 H1 TIP3 2738 66.847 70.245 12.339 1.00 0.00 WT3 H ATOM 39546 H2 TIP3 2738 66.931 71.236 11.198 1.00 0.00 WT3 H ATOM 39547 OH2 TIP3 2739 44.475 29.128 59.853 1.00 0.00 WT3 O ATOM 39548 H1 TIP3 2739 43.662 29.346 60.309 1.00 0.00 WT3 H ATOM 39549 H2 TIP3 2739 44.506 29.737 59.115 1.00 0.00 WT3 H ATOM 39550 OH2 TIP3 2740 51.840 70.599 -6.761 1.00 0.00 WT3 O ATOM 39551 H1 TIP3 2740 52.142 69.737 -6.477 1.00 0.00 WT3 H ATOM 39552 H2 TIP3 2740 51.578 70.473 -7.673 1.00 0.00 WT3 H ATOM 39553 OH2 TIP3 2741 83.756 88.327 57.868 1.00 0.00 WT3 O ATOM 39554 H1 TIP3 2741 83.924 88.120 56.949 1.00 0.00 WT3 H ATOM 39555 H2 TIP3 2741 83.146 87.650 58.160 1.00 0.00 WT3 H ATOM 39556 OH2 TIP3 2742 77.125 0.537 63.960 1.00 0.00 WT3 O ATOM 39557 H1 TIP3 2742 76.885 1.458 64.060 1.00 0.00 WT3 H ATOM 39558 H2 TIP3 2742 77.388 0.456 63.043 1.00 0.00 WT3 H ATOM 39559 OH2 TIP3 2743 23.862 35.765 -3.816 1.00 0.00 WT3 O ATOM 39560 H1 TIP3 2743 24.767 35.904 -3.535 1.00 0.00 WT3 H ATOM 39561 H2 TIP3 2743 23.475 36.641 -3.817 1.00 0.00 WT3 H ATOM 39562 OH2 TIP3 2746 22.925 73.179 27.987 1.00 0.00 WT3 O ATOM 39563 H1 TIP3 2746 21.988 73.347 27.891 1.00 0.00 WT3 H ATOM 39564 H2 TIP3 2746 23.055 72.315 27.596 1.00 0.00 WT3 H ATOM 39565 OH2 TIP3 2748 25.777 53.669 46.619 1.00 0.00 WT3 O ATOM 39566 H1 TIP3 2748 25.899 54.522 47.037 1.00 0.00 WT3 H ATOM 39567 H2 TIP3 2748 25.153 53.835 45.913 1.00 0.00 WT3 H ATOM 39568 OH2 TIP3 2752 46.363 67.148 55.012 1.00 0.00 WT3 O ATOM 39569 H1 TIP3 2752 47.309 67.291 55.025 1.00 0.00 WT3 H ATOM 39570 H2 TIP3 2752 46.223 66.534 54.291 1.00 0.00 WT3 H ATOM 39571 OH2 TIP3 2753 29.695 79.856 31.041 1.00 0.00 WT3 O ATOM 39572 H1 TIP3 2753 30.534 80.072 30.633 1.00 0.00 WT3 H ATOM 39573 H2 TIP3 2753 29.060 79.914 30.327 1.00 0.00 WT3 H ATOM 39574 OH2 TIP3 2754 24.701 21.936 61.338 1.00 0.00 WT3 O ATOM 39575 H1 TIP3 2754 24.213 22.677 60.980 1.00 0.00 WT3 H ATOM 39576 H2 TIP3 2754 24.958 21.425 60.570 1.00 0.00 WT3 H ATOM 39577 OH2 TIP3 2755 43.560 89.629 38.726 1.00 0.00 WT3 O ATOM 39578 H1 TIP3 2755 43.372 88.710 38.915 1.00 0.00 WT3 H ATOM 39579 H2 TIP3 2755 44.212 89.602 38.026 1.00 0.00 WT3 H ATOM 39580 OH2 TIP3 2756 49.114 49.960 -17.586 1.00 0.00 WT3 O ATOM 39581 H1 TIP3 2756 48.439 50.177 -16.943 1.00 0.00 WT3 H ATOM 39582 H2 TIP3 2756 48.627 49.733 -18.378 1.00 0.00 WT3 H ATOM 39583 OH2 TIP3 2757 47.112 87.174 24.624 1.00 0.00 WT3 O ATOM 39584 H1 TIP3 2757 47.860 87.728 24.843 1.00 0.00 WT3 H ATOM 39585 H2 TIP3 2757 47.501 86.365 24.292 1.00 0.00 WT3 H ATOM 39586 OH2 TIP3 2758 75.298 31.284 51.606 1.00 0.00 WT3 O ATOM 39587 H1 TIP3 2758 76.207 31.457 51.364 1.00 0.00 WT3 H ATOM 39588 H2 TIP3 2758 74.866 31.068 50.779 1.00 0.00 WT3 H ATOM 39589 OH2 TIP3 2760 55.316 88.383 -16.078 1.00 0.00 WT3 O ATOM 39590 H1 TIP3 2760 54.427 88.200 -16.380 1.00 0.00 WT3 H ATOM 39591 H2 TIP3 2760 55.620 87.553 -15.710 1.00 0.00 WT3 H ATOM 39592 OH2 TIP3 2762 37.955 21.574 19.140 1.00 0.00 WT3 O ATOM 39593 H1 TIP3 2762 37.608 20.701 19.325 1.00 0.00 WT3 H ATOM 39594 H2 TIP3 2762 38.900 21.446 19.065 1.00 0.00 WT3 H ATOM 39595 OH2 TIP3 2763 69.258 89.384 24.104 1.00 0.00 WT3 O ATOM 39596 H1 TIP3 2763 68.827 90.092 24.584 1.00 0.00 WT3 H ATOM 39597 H2 TIP3 2763 68.718 88.613 24.277 1.00 0.00 WT3 H ATOM 39598 OH2 TIP3 2764 87.355 41.964 57.970 1.00 0.00 WT3 O ATOM 39599 H1 TIP3 2764 88.114 41.428 58.203 1.00 0.00 WT3 H ATOM 39600 H2 TIP3 2764 86.604 41.476 58.307 1.00 0.00 WT3 H ATOM 39601 OH2 TIP3 2765 38.191 63.317 51.909 1.00 0.00 WT3 O ATOM 39602 H1 TIP3 2765 38.654 63.652 51.141 1.00 0.00 WT3 H ATOM 39603 H2 TIP3 2765 38.118 64.072 52.493 1.00 0.00 WT3 H ATOM 39604 OH2 TIP3 2766 56.750 72.180 63.499 1.00 0.00 WT3 O ATOM 39605 H1 TIP3 2766 56.859 71.688 64.312 1.00 0.00 WT3 H ATOM 39606 H2 TIP3 2766 55.807 72.163 63.332 1.00 0.00 WT3 H ATOM 39607 OH2 TIP3 2768 58.266 7.644 37.987 1.00 0.00 WT3 O ATOM 39608 H1 TIP3 2768 57.386 7.267 37.988 1.00 0.00 WT3 H ATOM 39609 H2 TIP3 2768 58.405 7.925 37.082 1.00 0.00 WT3 H ATOM 39610 OH2 TIP3 2769 58.928 82.834 20.843 1.00 0.00 WT3 O ATOM 39611 H1 TIP3 2769 58.984 83.186 21.731 1.00 0.00 WT3 H ATOM 39612 H2 TIP3 2769 59.140 81.905 20.939 1.00 0.00 WT3 H ATOM 39613 OH2 TIP3 2771 70.923 84.367 12.669 1.00 0.00 WT3 O ATOM 39614 H1 TIP3 2771 70.447 84.455 11.844 1.00 0.00 WT3 H ATOM 39615 H2 TIP3 2771 70.760 83.465 12.945 1.00 0.00 WT3 H ATOM 39616 OH2 TIP3 2772 20.951 87.223 16.518 1.00 0.00 WT3 O ATOM 39617 H1 TIP3 2772 20.616 87.035 17.395 1.00 0.00 WT3 H ATOM 39618 H2 TIP3 2772 21.122 86.362 16.137 1.00 0.00 WT3 H ATOM 39619 OH2 TIP3 2774 31.215 94.697 14.427 1.00 0.00 WT3 O ATOM 39620 H1 TIP3 2774 31.370 93.764 14.573 1.00 0.00 WT3 H ATOM 39621 H2 TIP3 2774 31.948 94.979 13.878 1.00 0.00 WT3 H ATOM 39622 OH2 TIP3 2775 73.040 65.824 2.580 1.00 0.00 WT3 O ATOM 39623 H1 TIP3 2775 72.147 65.483 2.518 1.00 0.00 WT3 H ATOM 39624 H2 TIP3 2775 72.945 66.663 3.032 1.00 0.00 WT3 H ATOM 39625 OH2 TIP3 2776 59.052 71.522 40.139 1.00 0.00 WT3 O ATOM 39626 H1 TIP3 2776 59.013 71.208 41.043 1.00 0.00 WT3 H ATOM 39627 H2 TIP3 2776 58.180 71.879 39.972 1.00 0.00 WT3 H ATOM 39628 OH2 TIP3 2777 39.538 93.776 45.345 1.00 0.00 WT3 O ATOM 39629 H1 TIP3 2777 40.156 94.410 44.980 1.00 0.00 WT3 H ATOM 39630 H2 TIP3 2777 39.698 93.801 46.289 1.00 0.00 WT3 H ATOM 39631 OH2 TIP3 2778 86.666 34.322 22.806 1.00 0.00 WT3 O ATOM 39632 H1 TIP3 2778 86.740 33.389 22.605 1.00 0.00 WT3 H ATOM 39633 H2 TIP3 2778 87.533 34.569 23.128 1.00 0.00 WT3 H ATOM 39634 OH2 TIP3 2779 36.560 66.886 66.577 1.00 0.00 WT3 O ATOM 39635 H1 TIP3 2779 35.687 66.645 66.888 1.00 0.00 WT3 H ATOM 39636 H2 TIP3 2779 36.751 67.715 67.017 1.00 0.00 WT3 H ATOM 39637 OH2 TIP3 2780 30.300 0.698 4.625 1.00 0.00 WT3 O ATOM 39638 H1 TIP3 2780 30.009 0.906 3.737 1.00 0.00 WT3 H ATOM 39639 H2 TIP3 2780 30.786 -0.122 4.533 1.00 0.00 WT3 H ATOM 39640 OH2 TIP3 2782 47.854 8.122 22.440 1.00 0.00 WT3 O ATOM 39641 H1 TIP3 2782 47.762 7.172 22.501 1.00 0.00 WT3 H ATOM 39642 H2 TIP3 2782 47.910 8.298 21.500 1.00 0.00 WT3 H ATOM 39643 OH2 TIP3 2783 81.187 63.478 11.262 1.00 0.00 WT3 O ATOM 39644 H1 TIP3 2783 80.735 62.855 10.693 1.00 0.00 WT3 H ATOM 39645 H2 TIP3 2783 80.545 63.696 11.937 1.00 0.00 WT3 H ATOM 39646 OH2 TIP3 2784 51.487 78.756 18.515 1.00 0.00 WT3 O ATOM 39647 H1 TIP3 2784 52.320 78.391 18.216 1.00 0.00 WT3 H ATOM 39648 H2 TIP3 2784 51.595 79.703 18.427 1.00 0.00 WT3 H ATOM 39649 OH2 TIP3 2785 67.708 56.507 66.510 1.00 0.00 WT3 O ATOM 39650 H1 TIP3 2785 68.067 56.642 65.633 1.00 0.00 WT3 H ATOM 39651 H2 TIP3 2785 66.759 56.525 66.387 1.00 0.00 WT3 H ATOM 39652 OH2 TIP3 2786 38.657 47.005 37.464 1.00 0.00 WT3 O ATOM 39653 H1 TIP3 2786 39.178 47.685 37.891 1.00 0.00 WT3 H ATOM 39654 H2 TIP3 2786 39.278 46.546 36.899 1.00 0.00 WT3 H ATOM 39655 OH2 TIP3 2791 78.840 89.637 28.269 1.00 0.00 WT3 O ATOM 39656 H1 TIP3 2791 78.733 90.429 27.742 1.00 0.00 WT3 H ATOM 39657 H2 TIP3 2791 77.967 89.246 28.295 1.00 0.00 WT3 H ATOM 39658 OH2 TIP3 2792 84.337 30.617 17.753 1.00 0.00 WT3 O ATOM 39659 H1 TIP3 2792 84.538 31.101 18.555 1.00 0.00 WT3 H ATOM 39660 H2 TIP3 2792 85.180 30.264 17.468 1.00 0.00 WT3 H ATOM 39661 OH2 TIP3 2794 34.518 87.413 14.688 1.00 0.00 WT3 O ATOM 39662 H1 TIP3 2794 34.939 88.159 15.114 1.00 0.00 WT3 H ATOM 39663 H2 TIP3 2794 34.772 86.658 15.219 1.00 0.00 WT3 H ATOM 39664 OH2 TIP3 2795 32.391 5.394 -13.083 1.00 0.00 WT3 O ATOM 39665 H1 TIP3 2795 32.527 4.953 -13.922 1.00 0.00 WT3 H ATOM 39666 H2 TIP3 2795 32.852 4.847 -12.447 1.00 0.00 WT3 H ATOM 39667 OH2 TIP3 2797 70.757 77.709 -4.603 1.00 0.00 WT3 O ATOM 39668 H1 TIP3 2797 71.691 77.662 -4.805 1.00 0.00 WT3 H ATOM 39669 H2 TIP3 2797 70.327 77.317 -5.363 1.00 0.00 WT3 H ATOM 39670 OH2 TIP3 2799 61.915 34.481 -1.070 1.00 0.00 WT3 O ATOM 39671 H1 TIP3 2799 61.687 35.406 -1.169 1.00 0.00 WT3 H ATOM 39672 H2 TIP3 2799 61.330 34.162 -0.383 1.00 0.00 WT3 H ATOM 39673 OH2 TIP3 2800 58.464 28.455 55.372 1.00 0.00 WT3 O ATOM 39674 H1 TIP3 2800 57.648 28.252 54.916 1.00 0.00 WT3 H ATOM 39675 H2 TIP3 2800 58.557 29.404 55.287 1.00 0.00 WT3 H ATOM 39676 OH2 TIP3 2801 41.403 8.596 3.603 1.00 0.00 WT3 O ATOM 39677 H1 TIP3 2801 41.880 9.263 4.097 1.00 0.00 WT3 H ATOM 39678 H2 TIP3 2801 40.482 8.763 3.802 1.00 0.00 WT3 H ATOM 39679 OH2 TIP3 2804 54.713 12.269 41.490 1.00 0.00 WT3 O ATOM 39680 H1 TIP3 2804 54.661 11.765 42.302 1.00 0.00 WT3 H ATOM 39681 H2 TIP3 2804 55.043 13.126 41.761 1.00 0.00 WT3 H ATOM 39682 OH2 TIP3 2805 63.214 72.714 56.860 1.00 0.00 WT3 O ATOM 39683 H1 TIP3 2805 62.392 72.340 56.543 1.00 0.00 WT3 H ATOM 39684 H2 TIP3 2805 63.624 73.088 56.080 1.00 0.00 WT3 H ATOM 39685 OH2 TIP3 2806 26.093 74.963 10.274 1.00 0.00 WT3 O ATOM 39686 H1 TIP3 2806 25.274 75.456 10.330 1.00 0.00 WT3 H ATOM 39687 H2 TIP3 2806 26.053 74.525 9.424 1.00 0.00 WT3 H ATOM 39688 OH2 TIP3 2808 55.091 37.113 -0.903 1.00 0.00 WT3 O ATOM 39689 H1 TIP3 2808 54.418 36.769 -0.316 1.00 0.00 WT3 H ATOM 39690 H2 TIP3 2808 55.009 38.064 -0.832 1.00 0.00 WT3 H ATOM 39691 OH2 TIP3 2809 23.772 80.651 13.846 1.00 0.00 WT3 O ATOM 39692 H1 TIP3 2809 24.067 81.335 14.446 1.00 0.00 WT3 H ATOM 39693 H2 TIP3 2809 23.546 79.914 14.414 1.00 0.00 WT3 H ATOM 39694 OH2 TIP3 2810 40.113 65.632 55.040 1.00 0.00 WT3 O ATOM 39695 H1 TIP3 2810 39.947 65.057 55.786 1.00 0.00 WT3 H ATOM 39696 H2 TIP3 2810 41.052 65.548 54.876 1.00 0.00 WT3 H ATOM 39697 OH2 TIP3 2811 28.913 73.120 16.924 1.00 0.00 WT3 O ATOM 39698 H1 TIP3 2811 28.394 73.119 16.119 1.00 0.00 WT3 H ATOM 39699 H2 TIP3 2811 28.495 72.462 17.479 1.00 0.00 WT3 H ATOM 39700 OH2 TIP3 2813 77.539 61.889 59.988 1.00 0.00 WT3 O ATOM 39701 H1 TIP3 2813 77.877 61.742 59.104 1.00 0.00 WT3 H ATOM 39702 H2 TIP3 2813 77.230 61.029 60.273 1.00 0.00 WT3 H ATOM 39703 OH2 TIP3 2815 48.883 54.731 59.358 1.00 0.00 WT3 O ATOM 39704 H1 TIP3 2815 48.095 54.573 58.838 1.00 0.00 WT3 H ATOM 39705 H2 TIP3 2815 49.336 55.438 58.899 1.00 0.00 WT3 H ATOM 39706 OH2 TIP3 2817 39.794 72.184 64.589 1.00 0.00 WT3 O ATOM 39707 H1 TIP3 2817 39.842 71.561 65.314 1.00 0.00 WT3 H ATOM 39708 H2 TIP3 2817 40.689 72.513 64.496 1.00 0.00 WT3 H ATOM 39709 OH2 TIP3 2818 23.077 64.589 47.470 1.00 0.00 WT3 O ATOM 39710 H1 TIP3 2818 22.140 64.594 47.273 1.00 0.00 WT3 H ATOM 39711 H2 TIP3 2818 23.139 64.969 48.346 1.00 0.00 WT3 H ATOM 39712 OH2 TIP3 2820 39.711 46.924 16.999 1.00 0.00 WT3 O ATOM 39713 H1 TIP3 2820 39.629 46.858 17.950 1.00 0.00 WT3 H ATOM 39714 H2 TIP3 2820 40.342 47.631 16.862 1.00 0.00 WT3 H ATOM 39715 OH2 TIP3 2821 26.346 65.522 12.270 1.00 0.00 WT3 O ATOM 39716 H1 TIP3 2821 27.164 65.228 12.672 1.00 0.00 WT3 H ATOM 39717 H2 TIP3 2821 26.484 66.453 12.097 1.00 0.00 WT3 H ATOM 39718 OH2 TIP3 2824 88.483 22.616 11.993 1.00 0.00 WT3 O ATOM 39719 H1 TIP3 2824 88.034 21.949 11.473 1.00 0.00 WT3 H ATOM 39720 H2 TIP3 2824 88.659 23.324 11.374 1.00 0.00 WT3 H ATOM 39721 OH2 TIP3 2825 71.366 82.828 -10.907 1.00 0.00 WT3 O ATOM 39722 H1 TIP3 2825 70.983 83.070 -11.751 1.00 0.00 WT3 H ATOM 39723 H2 TIP3 2825 70.613 82.624 -10.352 1.00 0.00 WT3 H ATOM 39724 OH2 TIP3 2826 81.440 82.523 45.516 1.00 0.00 WT3 O ATOM 39725 H1 TIP3 2826 81.717 82.763 46.400 1.00 0.00 WT3 H ATOM 39726 H2 TIP3 2826 81.384 83.357 45.048 1.00 0.00 WT3 H ATOM 39727 OH2 TIP3 2827 31.853 61.031 4.115 1.00 0.00 WT3 O ATOM 39728 H1 TIP3 2827 32.742 60.990 3.764 1.00 0.00 WT3 H ATOM 39729 H2 TIP3 2827 31.951 60.824 5.044 1.00 0.00 WT3 H ATOM 39730 OH2 TIP3 2829 22.851 52.741 37.936 1.00 0.00 WT3 O ATOM 39731 H1 TIP3 2829 22.088 53.071 37.461 1.00 0.00 WT3 H ATOM 39732 H2 TIP3 2829 23.342 52.242 37.283 1.00 0.00 WT3 H ATOM 39733 OH2 TIP3 2830 76.097 9.138 43.306 1.00 0.00 WT3 O ATOM 39734 H1 TIP3 2830 76.952 8.828 43.606 1.00 0.00 WT3 H ATOM 39735 H2 TIP3 2830 76.261 10.028 42.994 1.00 0.00 WT3 H ATOM 39736 OH2 TIP3 2831 78.278 87.094 -1.097 1.00 0.00 WT3 O ATOM 39737 H1 TIP3 2831 77.476 86.574 -1.148 1.00 0.00 WT3 H ATOM 39738 H2 TIP3 2831 78.458 87.166 -0.160 1.00 0.00 WT3 H ATOM 39739 OH2 TIP3 2832 30.910 41.712 17.344 1.00 0.00 WT3 O ATOM 39740 H1 TIP3 2832 31.694 41.349 16.932 1.00 0.00 WT3 H ATOM 39741 H2 TIP3 2832 30.718 41.113 18.066 1.00 0.00 WT3 H ATOM 39742 OH2 TIP3 2833 71.841 81.565 37.519 1.00 0.00 WT3 O ATOM 39743 H1 TIP3 2833 71.360 82.208 36.997 1.00 0.00 WT3 H ATOM 39744 H2 TIP3 2833 71.345 81.500 38.335 1.00 0.00 WT3 H ATOM 39745 OH2 TIP3 2834 25.140 61.668 6.280 1.00 0.00 WT3 O ATOM 39746 H1 TIP3 2834 24.870 62.254 6.988 1.00 0.00 WT3 H ATOM 39747 H2 TIP3 2834 25.595 62.236 5.659 1.00 0.00 WT3 H ATOM 39748 OH2 TIP3 2835 34.502 40.203 30.165 1.00 0.00 WT3 O ATOM 39749 H1 TIP3 2835 35.019 40.735 30.769 1.00 0.00 WT3 H ATOM 39750 H2 TIP3 2835 33.699 40.706 30.028 1.00 0.00 WT3 H ATOM 39751 OH2 TIP3 2836 69.379 92.281 47.558 1.00 0.00 WT3 O ATOM 39752 H1 TIP3 2836 68.445 92.387 47.377 1.00 0.00 WT3 H ATOM 39753 H2 TIP3 2836 69.409 91.791 48.380 1.00 0.00 WT3 H ATOM 39754 OH2 TIP3 2837 49.240 2.719 -6.994 1.00 0.00 WT3 O ATOM 39755 H1 TIP3 2837 49.526 3.624 -7.120 1.00 0.00 WT3 H ATOM 39756 H2 TIP3 2837 49.393 2.546 -6.065 1.00 0.00 WT3 H ATOM 39757 OH2 TIP3 2842 57.852 87.717 54.681 1.00 0.00 WT3 O ATOM 39758 H1 TIP3 2842 57.422 87.294 53.938 1.00 0.00 WT3 H ATOM 39759 H2 TIP3 2842 58.718 87.958 54.353 1.00 0.00 WT3 H ATOM 39760 OH2 TIP3 2843 67.956 94.899 50.459 1.00 0.00 WT3 O ATOM 39761 H1 TIP3 2843 67.334 94.487 51.058 1.00 0.00 WT3 H ATOM 39762 H2 TIP3 2843 68.225 95.702 50.906 1.00 0.00 WT3 H ATOM 39763 OH2 TIP3 2844 25.495 38.061 41.838 1.00 0.00 WT3 O ATOM 39764 H1 TIP3 2844 24.690 38.523 42.073 1.00 0.00 WT3 H ATOM 39765 H2 TIP3 2844 25.910 38.621 41.182 1.00 0.00 WT3 H ATOM 39766 OH2 TIP3 2845 55.561 31.277 -6.915 1.00 0.00 WT3 O ATOM 39767 H1 TIP3 2845 55.758 31.530 -6.013 1.00 0.00 WT3 H ATOM 39768 H2 TIP3 2845 55.245 30.376 -6.849 1.00 0.00 WT3 H ATOM 39769 OH2 TIP3 2846 24.359 74.287 24.742 1.00 0.00 WT3 O ATOM 39770 H1 TIP3 2846 24.273 73.396 24.402 1.00 0.00 WT3 H ATOM 39771 H2 TIP3 2846 25.301 74.456 24.735 1.00 0.00 WT3 H ATOM 39772 OH2 TIP3 2847 36.143 75.119 26.925 1.00 0.00 WT3 O ATOM 39773 H1 TIP3 2847 35.963 74.963 27.852 1.00 0.00 WT3 H ATOM 39774 H2 TIP3 2847 37.098 75.147 26.867 1.00 0.00 WT3 H ATOM 39775 OH2 TIP3 2849 67.085 28.581 21.601 1.00 0.00 WT3 O ATOM 39776 H1 TIP3 2849 67.914 28.346 21.185 1.00 0.00 WT3 H ATOM 39777 H2 TIP3 2849 66.441 27.995 21.204 1.00 0.00 WT3 H ATOM 39778 OH2 TIP3 2852 51.998 33.618 64.828 1.00 0.00 WT3 O ATOM 39779 H1 TIP3 2852 51.963 33.689 65.782 1.00 0.00 WT3 H ATOM 39780 H2 TIP3 2852 52.629 34.287 64.561 1.00 0.00 WT3 H ATOM 39781 OH2 TIP3 2855 88.300 10.058 64.424 1.00 0.00 WT3 O ATOM 39782 H1 TIP3 2855 88.697 10.700 63.835 1.00 0.00 WT3 H ATOM 39783 H2 TIP3 2855 88.725 9.231 64.199 1.00 0.00 WT3 H ATOM 39784 OH2 TIP3 2856 77.858 92.683 58.096 1.00 0.00 WT3 O ATOM 39785 H1 TIP3 2856 77.046 92.381 57.690 1.00 0.00 WT3 H ATOM 39786 H2 TIP3 2856 78.067 93.497 57.639 1.00 0.00 WT3 H ATOM 39787 OH2 TIP3 2857 59.879 10.801 63.632 1.00 0.00 WT3 O ATOM 39788 H1 TIP3 2857 60.451 11.032 64.363 1.00 0.00 WT3 H ATOM 39789 H2 TIP3 2857 60.464 10.409 62.984 1.00 0.00 WT3 H ATOM 39790 OH2 TIP3 2862 24.384 36.152 35.275 1.00 0.00 WT3 O ATOM 39791 H1 TIP3 2862 24.532 36.517 34.403 1.00 0.00 WT3 H ATOM 39792 H2 TIP3 2862 23.443 36.249 35.420 1.00 0.00 WT3 H ATOM 39793 OH2 TIP3 2865 81.538 79.347 -4.041 1.00 0.00 WT3 O ATOM 39794 H1 TIP3 2865 81.374 80.091 -4.621 1.00 0.00 WT3 H ATOM 39795 H2 TIP3 2865 81.940 79.733 -3.263 1.00 0.00 WT3 H ATOM 39796 OH2 TIP3 2866 70.449 83.681 58.384 1.00 0.00 WT3 O ATOM 39797 H1 TIP3 2866 70.518 83.459 59.312 1.00 0.00 WT3 H ATOM 39798 H2 TIP3 2866 69.645 84.196 58.319 1.00 0.00 WT3 H ATOM 39799 OH2 TIP3 2868 73.623 91.804 9.991 1.00 0.00 WT3 O ATOM 39800 H1 TIP3 2868 73.210 91.501 9.183 1.00 0.00 WT3 H ATOM 39801 H2 TIP3 2868 74.551 91.884 9.771 1.00 0.00 WT3 H ATOM 39802 OH2 TIP3 2872 55.107 76.866 28.001 1.00 0.00 WT3 O ATOM 39803 H1 TIP3 2872 55.093 76.635 27.072 1.00 0.00 WT3 H ATOM 39804 H2 TIP3 2872 54.505 76.244 28.411 1.00 0.00 WT3 H ATOM 39805 OH2 TIP3 2873 47.431 12.736 31.216 1.00 0.00 WT3 O ATOM 39806 H1 TIP3 2873 47.293 12.984 30.301 1.00 0.00 WT3 H ATOM 39807 H2 TIP3 2873 47.972 11.948 31.172 1.00 0.00 WT3 H ATOM 39808 OH2 TIP3 2874 83.574 89.637 -13.319 1.00 0.00 WT3 O ATOM 39809 H1 TIP3 2874 83.827 88.715 -13.272 1.00 0.00 WT3 H ATOM 39810 H2 TIP3 2874 84.375 90.116 -13.107 1.00 0.00 WT3 H ATOM 39811 OH2 TIP3 2875 53.876 0.511 59.451 1.00 0.00 WT3 O ATOM 39812 H1 TIP3 2875 54.352 0.853 60.207 1.00 0.00 WT3 H ATOM 39813 H2 TIP3 2875 54.557 0.304 58.811 1.00 0.00 WT3 H ATOM 39814 OH2 TIP3 2876 23.470 55.052 35.260 1.00 0.00 WT3 O ATOM 39815 H1 TIP3 2876 22.558 55.197 35.512 1.00 0.00 WT3 H ATOM 39816 H2 TIP3 2876 23.420 54.449 34.518 1.00 0.00 WT3 H ATOM 39817 OH2 TIP3 2877 56.779 78.027 -14.784 1.00 0.00 WT3 O ATOM 39818 H1 TIP3 2877 57.479 77.374 -14.767 1.00 0.00 WT3 H ATOM 39819 H2 TIP3 2877 55.983 77.530 -14.593 1.00 0.00 WT3 H ATOM 39820 OH2 TIP3 2878 22.588 53.222 59.294 1.00 0.00 WT3 O ATOM 39821 H1 TIP3 2878 22.772 53.538 58.410 1.00 0.00 WT3 H ATOM 39822 H2 TIP3 2878 21.780 53.669 59.545 1.00 0.00 WT3 H ATOM 39823 OH2 TIP3 2885 27.179 47.702 28.588 1.00 0.00 WT3 O ATOM 39824 H1 TIP3 2885 26.257 47.778 28.344 1.00 0.00 WT3 H ATOM 39825 H2 TIP3 2885 27.641 47.613 27.754 1.00 0.00 WT3 H ATOM 39826 OH2 TIP3 2889 69.467 30.664 -4.648 1.00 0.00 WT3 O ATOM 39827 H1 TIP3 2889 69.849 30.510 -5.512 1.00 0.00 WT3 H ATOM 39828 H2 TIP3 2889 69.778 29.932 -4.115 1.00 0.00 WT3 H ATOM 39829 OH2 TIP3 2895 40.006 73.996 -9.496 1.00 0.00 WT3 O ATOM 39830 H1 TIP3 2895 39.279 73.541 -9.920 1.00 0.00 WT3 H ATOM 39831 H2 TIP3 2895 39.592 74.529 -8.816 1.00 0.00 WT3 H ATOM 39832 OH2 TIP3 2907 85.683 52.887 48.854 1.00 0.00 WT3 O ATOM 39833 H1 TIP3 2907 85.499 52.006 48.528 1.00 0.00 WT3 H ATOM 39834 H2 TIP3 2907 85.014 53.042 49.521 1.00 0.00 WT3 H ATOM 39835 OH2 TIP3 2910 21.597 61.874 62.104 1.00 0.00 WT3 O ATOM 39836 H1 TIP3 2910 21.280 61.757 63.000 1.00 0.00 WT3 H ATOM 39837 H2 TIP3 2910 21.050 62.573 61.746 1.00 0.00 WT3 H ATOM 39838 OH2 TIP3 2913 22.960 67.826 34.626 1.00 0.00 WT3 O ATOM 39839 H1 TIP3 2913 22.682 68.232 33.806 1.00 0.00 WT3 H ATOM 39840 H2 TIP3 2913 23.459 67.055 34.355 1.00 0.00 WT3 H ATOM 39841 OH2 TIP3 2926 23.654 40.873 -9.424 1.00 0.00 WT3 O ATOM 39842 H1 TIP3 2926 23.780 39.936 -9.273 1.00 0.00 WT3 H ATOM 39843 H2 TIP3 2926 23.089 41.158 -8.705 1.00 0.00 WT3 H ATOM 39844 OH2 TIP3 2944 79.003 86.954 -5.090 1.00 0.00 WT3 O ATOM 39845 H1 TIP3 2944 78.690 86.083 -5.334 1.00 0.00 WT3 H ATOM 39846 H2 TIP3 2944 79.926 86.958 -5.346 1.00 0.00 WT3 H ATOM 39847 OH2 TIP3 2957 26.360 68.791 19.461 1.00 0.00 WT3 O ATOM 39848 H1 TIP3 2957 25.911 68.825 20.305 1.00 0.00 WT3 H ATOM 39849 H2 TIP3 2957 26.678 67.891 19.394 1.00 0.00 WT3 H ATOM 39850 OH2 TIP3 3010 90.661 40.744 53.026 1.00 0.00 WT3 O ATOM 39851 H1 TIP3 3010 89.747 40.924 53.247 1.00 0.00 WT3 H ATOM 39852 H2 TIP3 3010 91.159 41.099 53.762 1.00 0.00 WT3 H ATOM 39853 OH2 TIP3 3012 71.183 80.148 65.733 1.00 0.00 WT3 O ATOM 39854 H1 TIP3 3012 71.293 81.098 65.758 1.00 0.00 WT3 H ATOM 39855 H2 TIP3 3012 70.638 79.988 64.963 1.00 0.00 WT3 H ATOM 39856 OH2 TIP3 3016 50.230 80.406 7.373 1.00 0.00 WT3 O ATOM 39857 H1 TIP3 3016 50.417 79.651 6.814 1.00 0.00 WT3 H ATOM 39858 H2 TIP3 3016 49.411 80.179 7.815 1.00 0.00 WT3 H ATOM 39859 OH2 TIP3 3024 75.288 35.405 34.118 1.00 0.00 WT3 O ATOM 39860 H1 TIP3 3024 75.190 35.573 35.055 1.00 0.00 WT3 H ATOM 39861 H2 TIP3 3024 76.220 35.540 33.947 1.00 0.00 WT3 H ATOM 39862 OH2 TIP3 3027 49.992 19.523 -8.711 1.00 0.00 WT3 O ATOM 39863 H1 TIP3 3027 50.694 18.876 -8.641 1.00 0.00 WT3 H ATOM 39864 H2 TIP3 3027 49.267 19.144 -8.214 1.00 0.00 WT3 H ATOM 39865 OH2 TIP3 3030 44.946 92.226 -5.435 1.00 0.00 WT3 O ATOM 39866 H1 TIP3 3030 45.334 92.694 -6.174 1.00 0.00 WT3 H ATOM 39867 H2 TIP3 3030 44.005 92.377 -5.522 1.00 0.00 WT3 H ATOM 39868 OH2 TIP3 3037 75.825 69.523 34.326 1.00 0.00 WT3 O ATOM 39869 H1 TIP3 3037 74.868 69.508 34.346 1.00 0.00 WT3 H ATOM 39870 H2 TIP3 3037 76.068 68.724 33.857 1.00 0.00 WT3 H ATOM 39871 OH2 TIP3 3042 23.618 80.744 66.517 1.00 0.00 WT3 O ATOM 39872 H1 TIP3 3042 23.905 81.652 66.616 1.00 0.00 WT3 H ATOM 39873 H2 TIP3 3042 24.320 80.323 66.020 1.00 0.00 WT3 H ATOM 39874 OH2 TIP3 3046 49.608 92.319 -12.433 1.00 0.00 WT3 O ATOM 39875 H1 TIP3 3046 49.705 91.926 -13.301 1.00 0.00 WT3 H ATOM 39876 H2 TIP3 3046 50.316 92.961 -12.381 1.00 0.00 WT3 H ATOM 39877 OH2 TIP3 3049 62.193 74.278 23.616 1.00 0.00 WT3 O ATOM 39878 H1 TIP3 3049 61.586 73.604 23.924 1.00 0.00 WT3 H ATOM 39879 H2 TIP3 3049 61.720 75.101 23.741 1.00 0.00 WT3 H ATOM 39880 OH2 TIP3 3050 63.286 48.266 55.030 1.00 0.00 WT3 O ATOM 39881 H1 TIP3 3050 63.825 47.493 54.861 1.00 0.00 WT3 H ATOM 39882 H2 TIP3 3050 63.517 48.878 54.332 1.00 0.00 WT3 H ATOM 39883 OH2 TIP3 3053 52.305 40.428 57.474 1.00 0.00 WT3 O ATOM 39884 H1 TIP3 3053 53.004 40.823 56.953 1.00 0.00 WT3 H ATOM 39885 H2 TIP3 3053 52.725 39.696 57.924 1.00 0.00 WT3 H ATOM 39886 OH2 TIP3 3057 48.740 73.007 -16.590 1.00 0.00 WT3 O ATOM 39887 H1 TIP3 3057 48.498 72.328 -17.219 1.00 0.00 WT3 H ATOM 39888 H2 TIP3 3057 48.292 73.793 -16.902 1.00 0.00 WT3 H ATOM 39889 OH2 TIP3 3059 58.025 1.896 13.769 1.00 0.00 WT3 O ATOM 39890 H1 TIP3 3059 58.749 1.737 13.163 1.00 0.00 WT3 H ATOM 39891 H2 TIP3 3059 58.143 2.803 14.052 1.00 0.00 WT3 H ATOM 39892 OH2 TIP3 3066 61.857 80.481 25.538 1.00 0.00 WT3 O ATOM 39893 H1 TIP3 3066 62.686 80.573 26.007 1.00 0.00 WT3 H ATOM 39894 H2 TIP3 3066 61.934 79.646 25.077 1.00 0.00 WT3 H ATOM 39895 OH2 TIP3 3070 80.225 95.982 58.588 1.00 0.00 WT3 O ATOM 39896 H1 TIP3 3070 80.408 96.230 59.495 1.00 0.00 WT3 H ATOM 39897 H2 TIP3 3070 80.458 96.757 58.077 1.00 0.00 WT3 H ATOM 39898 OH2 TIP3 3071 35.518 76.920 61.507 1.00 0.00 WT3 O ATOM 39899 H1 TIP3 3071 35.866 76.716 60.639 1.00 0.00 WT3 H ATOM 39900 H2 TIP3 3071 36.282 77.198 62.012 1.00 0.00 WT3 H ATOM 39901 OH2 TIP3 3072 60.604 30.877 -19.183 1.00 0.00 WT3 O ATOM 39902 H1 TIP3 3072 59.653 30.962 -19.118 1.00 0.00 WT3 H ATOM 39903 H2 TIP3 3072 60.903 31.742 -19.466 1.00 0.00 WT3 H ATOM 39904 OH2 TIP3 3073 64.368 66.886 50.983 1.00 0.00 WT3 O ATOM 39905 H1 TIP3 3073 63.711 67.104 50.322 1.00 0.00 WT3 H ATOM 39906 H2 TIP3 3073 65.124 67.429 50.758 1.00 0.00 WT3 H ATOM 39907 OH2 TIP3 3079 42.928 39.545 35.357 1.00 0.00 WT3 O ATOM 39908 H1 TIP3 3079 42.847 39.685 34.413 1.00 0.00 WT3 H ATOM 39909 H2 TIP3 3079 42.072 39.209 35.624 1.00 0.00 WT3 H ATOM 39910 OH2 TIP3 3080 64.850 59.213 65.976 1.00 0.00 WT3 O ATOM 39911 H1 TIP3 3080 65.240 59.696 66.705 1.00 0.00 WT3 H ATOM 39912 H2 TIP3 3080 63.945 59.523 65.939 1.00 0.00 WT3 H ATOM 39913 OH2 TIP3 3081 58.458 10.727 -16.485 1.00 0.00 WT3 O ATOM 39914 H1 TIP3 3081 58.896 9.942 -16.157 1.00 0.00 WT3 H ATOM 39915 H2 TIP3 3081 58.511 10.652 -17.438 1.00 0.00 WT3 H ATOM 39916 OH2 TIP3 3084 48.664 1.424 11.518 1.00 0.00 WT3 O ATOM 39917 H1 TIP3 3084 49.184 1.532 12.314 1.00 0.00 WT3 H ATOM 39918 H2 TIP3 3084 47.762 1.584 11.796 1.00 0.00 WT3 H ATOM 39919 OH2 TIP3 3085 29.493 79.545 63.090 1.00 0.00 WT3 O ATOM 39920 H1 TIP3 3085 28.835 79.402 63.770 1.00 0.00 WT3 H ATOM 39921 H2 TIP3 3085 29.843 78.673 62.907 1.00 0.00 WT3 H ATOM 39922 OH2 TIP3 3086 47.321 93.588 -15.493 1.00 0.00 WT3 O ATOM 39923 H1 TIP3 3086 46.587 93.472 -16.097 1.00 0.00 WT3 H ATOM 39924 H2 TIP3 3086 48.100 93.514 -16.045 1.00 0.00 WT3 H ATOM 39925 OH2 TIP3 3091 45.007 75.631 -19.494 1.00 0.00 WT3 O ATOM 39926 H1 TIP3 3091 45.079 76.563 -19.289 1.00 0.00 WT3 H ATOM 39927 H2 TIP3 3091 44.338 75.586 -20.176 1.00 0.00 WT3 H ATOM 39928 OH2 TIP3 3092 73.959 76.154 45.500 1.00 0.00 WT3 O ATOM 39929 H1 TIP3 3092 73.735 76.778 44.810 1.00 0.00 WT3 H ATOM 39930 H2 TIP3 3092 74.916 76.126 45.496 1.00 0.00 WT3 H ATOM 39931 OH2 TIP3 3095 76.395 18.956 60.977 1.00 0.00 WT3 O ATOM 39932 H1 TIP3 3095 76.042 19.041 61.863 1.00 0.00 WT3 H ATOM 39933 H2 TIP3 3095 76.686 19.838 60.748 1.00 0.00 WT3 H ATOM 39934 OH2 TIP3 3096 80.596 44.041 -4.564 1.00 0.00 WT3 O ATOM 39935 H1 TIP3 3096 79.870 44.608 -4.301 1.00 0.00 WT3 H ATOM 39936 H2 TIP3 3096 80.968 44.471 -5.334 1.00 0.00 WT3 H ATOM 39937 OH2 TIP3 3099 51.753 83.598 52.465 1.00 0.00 WT3 O ATOM 39938 H1 TIP3 3099 50.830 83.617 52.212 1.00 0.00 WT3 H ATOM 39939 H2 TIP3 3099 52.216 83.337 51.669 1.00 0.00 WT3 H ATOM 39940 OH2 TIP3 3101 81.308 66.816 -7.770 1.00 0.00 WT3 O ATOM 39941 H1 TIP3 3101 81.521 67.674 -8.136 1.00 0.00 WT3 H ATOM 39942 H2 TIP3 3101 80.471 66.946 -7.325 1.00 0.00 WT3 H ATOM 39943 OH2 TIP3 3103 85.455 61.527 47.043 1.00 0.00 WT3 O ATOM 39944 H1 TIP3 3103 86.219 62.092 46.928 1.00 0.00 WT3 H ATOM 39945 H2 TIP3 3103 85.397 61.032 46.226 1.00 0.00 WT3 H ATOM 39946 OH2 TIP3 3104 43.214 86.708 38.611 1.00 0.00 WT3 O ATOM 39947 H1 TIP3 3104 43.022 86.333 39.471 1.00 0.00 WT3 H ATOM 39948 H2 TIP3 3104 43.688 86.016 38.149 1.00 0.00 WT3 H ATOM 39949 OH2 TIP3 3105 55.258 7.977 53.051 1.00 0.00 WT3 O ATOM 39950 H1 TIP3 3105 55.771 7.776 52.268 1.00 0.00 WT3 H ATOM 39951 H2 TIP3 3105 55.412 8.909 53.206 1.00 0.00 WT3 H ATOM 39952 OH2 TIP3 3107 69.274 51.083 -0.886 1.00 0.00 WT3 O ATOM 39953 H1 TIP3 3107 69.102 51.020 0.054 1.00 0.00 WT3 H ATOM 39954 H2 TIP3 3107 68.632 51.717 -1.206 1.00 0.00 WT3 H ATOM 39955 OH2 TIP3 3108 76.970 35.244 -7.334 1.00 0.00 WT3 O ATOM 39956 H1 TIP3 3108 77.275 35.510 -6.466 1.00 0.00 WT3 H ATOM 39957 H2 TIP3 3108 76.073 35.574 -7.384 1.00 0.00 WT3 H ATOM 39958 OH2 TIP3 3109 88.205 9.262 -9.954 1.00 0.00 WT3 O ATOM 39959 H1 TIP3 3109 88.532 10.120 -10.226 1.00 0.00 WT3 H ATOM 39960 H2 TIP3 3109 88.944 8.669 -10.093 1.00 0.00 WT3 H ATOM 39961 OH2 TIP3 3111 73.742 81.538 -18.489 1.00 0.00 WT3 O ATOM 39962 H1 TIP3 3111 73.798 82.034 -17.673 1.00 0.00 WT3 H ATOM 39963 H2 TIP3 3111 73.706 82.207 -19.174 1.00 0.00 WT3 H ATOM 39964 OH2 TIP3 3112 27.254 52.178 -12.393 1.00 0.00 WT3 O ATOM 39965 H1 TIP3 3112 28.042 52.716 -12.318 1.00 0.00 WT3 H ATOM 39966 H2 TIP3 3112 26.531 52.805 -12.355 1.00 0.00 WT3 H ATOM 39967 OH2 TIP3 3113 27.690 65.005 -1.140 1.00 0.00 WT3 O ATOM 39968 H1 TIP3 3113 26.854 64.675 -0.810 1.00 0.00 WT3 H ATOM 39969 H2 TIP3 3113 27.806 65.847 -0.701 1.00 0.00 WT3 H ATOM 39970 OH2 TIP3 3114 60.943 88.177 21.288 1.00 0.00 WT3 O ATOM 39971 H1 TIP3 3114 60.764 88.589 22.133 1.00 0.00 WT3 H ATOM 39972 H2 TIP3 3114 60.662 87.269 21.400 1.00 0.00 WT3 H ATOM 39973 OH2 TIP3 3115 28.127 80.339 -17.933 1.00 0.00 WT3 O ATOM 39974 H1 TIP3 3115 28.368 81.011 -17.296 1.00 0.00 WT3 H ATOM 39975 H2 TIP3 3115 28.490 79.528 -17.575 1.00 0.00 WT3 H ATOM 39976 OH2 TIP3 3116 82.205 43.010 -16.820 1.00 0.00 WT3 O ATOM 39977 H1 TIP3 3116 81.504 43.651 -16.941 1.00 0.00 WT3 H ATOM 39978 H2 TIP3 3116 82.545 42.857 -17.702 1.00 0.00 WT3 H ATOM 39979 OH2 TIP3 3119 72.566 85.806 14.336 1.00 0.00 WT3 O ATOM 39980 H1 TIP3 3119 71.962 85.360 13.742 1.00 0.00 WT3 H ATOM 39981 H2 TIP3 3119 72.017 86.426 14.815 1.00 0.00 WT3 H ATOM 39982 OH2 TIP3 3121 78.451 7.801 -4.704 1.00 0.00 WT3 O ATOM 39983 H1 TIP3 3121 77.801 7.813 -4.001 1.00 0.00 WT3 H ATOM 39984 H2 TIP3 3121 78.284 8.602 -5.200 1.00 0.00 WT3 H ATOM 39985 OH2 TIP3 3124 50.946 15.897 9.805 1.00 0.00 WT3 O ATOM 39986 H1 TIP3 3124 51.286 16.019 10.691 1.00 0.00 WT3 H ATOM 39987 H2 TIP3 3124 50.701 14.972 9.768 1.00 0.00 WT3 H ATOM 39988 OH2 TIP3 3129 27.127 88.547 -15.829 1.00 0.00 WT3 O ATOM 39989 H1 TIP3 3129 26.699 89.259 -16.305 1.00 0.00 WT3 H ATOM 39990 H2 TIP3 3129 26.496 87.828 -15.855 1.00 0.00 WT3 H ATOM 39991 OH2 TIP3 3131 42.218 8.492 11.850 1.00 0.00 WT3 O ATOM 39992 H1 TIP3 3131 43.075 8.612 12.259 1.00 0.00 WT3 H ATOM 39993 H2 TIP3 3131 41.627 9.039 12.367 1.00 0.00 WT3 H ATOM 39994 OH2 TIP3 3133 36.426 75.418 -4.555 1.00 0.00 WT3 O ATOM 39995 H1 TIP3 3133 36.813 74.548 -4.652 1.00 0.00 WT3 H ATOM 39996 H2 TIP3 3133 37.161 76.021 -4.659 1.00 0.00 WT3 H ATOM 39997 OH2 TIP3 3134 31.678 0.138 59.374 1.00 0.00 WT3 O ATOM 39998 H1 TIP3 3134 32.612 0.186 59.578 1.00 0.00 WT3 H ATOM 39999 H2 TIP3 3134 31.246 0.140 60.228 1.00 0.00 WT3 H ATOM 40000 OH2 TIP3 3136 31.108 86.520 47.090 1.00 0.00 WT3 O ATOM 40001 H1 TIP3 3136 31.934 86.055 47.223 1.00 0.00 WT3 H ATOM 40002 H2 TIP3 3136 30.719 86.570 47.963 1.00 0.00 WT3 H ATOM 40003 OH2 TIP3 3138 30.665 63.311 15.400 1.00 0.00 WT3 O ATOM 40004 H1 TIP3 3138 30.919 62.446 15.079 1.00 0.00 WT3 H ATOM 40005 H2 TIP3 3138 31.465 63.833 15.341 1.00 0.00 WT3 H ATOM 40006 OH2 TIP3 3139 21.238 15.024 -14.795 1.00 0.00 WT3 O ATOM 40007 H1 TIP3 3139 21.358 14.288 -15.395 1.00 0.00 WT3 H ATOM 40008 H2 TIP3 3139 21.785 14.809 -14.040 1.00 0.00 WT3 H ATOM 40009 OH2 TIP3 3140 31.733 54.751 59.329 1.00 0.00 WT3 O ATOM 40010 H1 TIP3 3140 30.861 54.941 59.677 1.00 0.00 WT3 H ATOM 40011 H2 TIP3 3140 32.151 55.608 59.250 1.00 0.00 WT3 H ATOM 40012 OH2 TIP3 3141 54.543 59.440 13.003 1.00 0.00 WT3 O ATOM 40013 H1 TIP3 3141 53.723 59.380 13.494 1.00 0.00 WT3 H ATOM 40014 H2 TIP3 3141 55.073 60.064 13.497 1.00 0.00 WT3 H ATOM 40015 OH2 TIP3 3143 73.400 78.415 0.528 1.00 0.00 WT3 O ATOM 40016 H1 TIP3 3143 72.542 78.823 0.412 1.00 0.00 WT3 H ATOM 40017 H2 TIP3 3143 73.535 78.403 1.475 1.00 0.00 WT3 H ATOM 40018 OH2 TIP3 3144 64.186 67.181 31.743 1.00 0.00 WT3 O ATOM 40019 H1 TIP3 3144 63.516 66.755 32.278 1.00 0.00 WT3 H ATOM 40020 H2 TIP3 3144 63.909 67.025 30.840 1.00 0.00 WT3 H ATOM 40021 OH2 TIP3 3150 62.801 50.183 7.583 1.00 0.00 WT3 O ATOM 40022 H1 TIP3 3150 62.001 50.612 7.887 1.00 0.00 WT3 H ATOM 40023 H2 TIP3 3150 63.073 49.634 8.318 1.00 0.00 WT3 H ATOM 40024 OH2 TIP3 3152 58.192 68.794 53.588 1.00 0.00 WT3 O ATOM 40025 H1 TIP3 3152 57.908 68.425 54.425 1.00 0.00 WT3 H ATOM 40026 H2 TIP3 3152 58.674 68.084 53.164 1.00 0.00 WT3 H ATOM 40027 OH2 TIP3 3154 70.873 92.255 5.042 1.00 0.00 WT3 O ATOM 40028 H1 TIP3 3154 69.927 92.223 4.903 1.00 0.00 WT3 H ATOM 40029 H2 TIP3 3154 71.153 91.340 5.007 1.00 0.00 WT3 H ATOM 40030 OH2 TIP3 3155 66.345 11.050 39.613 1.00 0.00 WT3 O ATOM 40031 H1 TIP3 3155 66.846 10.234 39.603 1.00 0.00 WT3 H ATOM 40032 H2 TIP3 3155 65.801 11.008 38.827 1.00 0.00 WT3 H ATOM 40033 OH2 TIP3 3156 28.485 70.741 -1.689 1.00 0.00 WT3 O ATOM 40034 H1 TIP3 3156 28.672 71.010 -0.790 1.00 0.00 WT3 H ATOM 40035 H2 TIP3 3156 29.209 71.101 -2.202 1.00 0.00 WT3 H ATOM 40036 OH2 TIP3 3157 24.263 30.652 -15.300 1.00 0.00 WT3 O ATOM 40037 H1 TIP3 3157 24.606 31.280 -14.665 1.00 0.00 WT3 H ATOM 40038 H2 TIP3 3157 24.449 29.795 -14.915 1.00 0.00 WT3 H ATOM 40039 OH2 TIP3 3158 40.679 50.055 0.493 1.00 0.00 WT3 O ATOM 40040 H1 TIP3 3158 40.841 50.850 1.001 1.00 0.00 WT3 H ATOM 40041 H2 TIP3 3158 41.537 49.636 0.424 1.00 0.00 WT3 H ATOM 40042 OH2 TIP3 3160 37.267 57.184 16.479 1.00 0.00 WT3 O ATOM 40043 H1 TIP3 3160 37.079 56.657 17.256 1.00 0.00 WT3 H ATOM 40044 H2 TIP3 3160 38.207 57.355 16.526 1.00 0.00 WT3 H ATOM 40045 OH2 TIP3 3161 82.090 44.607 16.638 1.00 0.00 WT3 O ATOM 40046 H1 TIP3 3161 81.238 44.940 16.919 1.00 0.00 WT3 H ATOM 40047 H2 TIP3 3161 82.676 44.795 17.371 1.00 0.00 WT3 H ATOM 40048 OH2 TIP3 3162 82.141 40.659 57.311 1.00 0.00 WT3 O ATOM 40049 H1 TIP3 3162 81.293 40.227 57.406 1.00 0.00 WT3 H ATOM 40050 H2 TIP3 3162 82.021 41.517 57.719 1.00 0.00 WT3 H ATOM 40051 OH2 TIP3 3164 41.621 7.982 -0.081 1.00 0.00 WT3 O ATOM 40052 H1 TIP3 3164 42.281 7.792 -0.748 1.00 0.00 WT3 H ATOM 40053 H2 TIP3 3164 40.787 7.928 -0.547 1.00 0.00 WT3 H ATOM 40054 OH2 TIP3 3167 62.796 32.124 49.278 1.00 0.00 WT3 O ATOM 40055 H1 TIP3 3167 62.028 31.703 48.894 1.00 0.00 WT3 H ATOM 40056 H2 TIP3 3167 62.720 33.043 49.021 1.00 0.00 WT3 H ATOM 40057 OH2 TIP3 3169 31.958 14.689 11.948 1.00 0.00 WT3 O ATOM 40058 H1 TIP3 3169 32.775 15.173 12.069 1.00 0.00 WT3 H ATOM 40059 H2 TIP3 3169 32.089 13.873 12.432 1.00 0.00 WT3 H ATOM 40060 OH2 TIP3 3173 60.205 5.688 -7.876 1.00 0.00 WT3 O ATOM 40061 H1 TIP3 3173 59.825 5.005 -8.427 1.00 0.00 WT3 H ATOM 40062 H2 TIP3 3173 59.485 5.968 -7.311 1.00 0.00 WT3 H ATOM 40063 OH2 TIP3 3174 70.224 74.582 20.503 1.00 0.00 WT3 O ATOM 40064 H1 TIP3 3174 69.408 75.074 20.602 1.00 0.00 WT3 H ATOM 40065 H2 TIP3 3174 70.032 73.721 20.875 1.00 0.00 WT3 H ATOM 40066 OH2 TIP3 3175 71.932 20.053 14.093 1.00 0.00 WT3 O ATOM 40067 H1 TIP3 3175 71.567 20.739 14.652 1.00 0.00 WT3 H ATOM 40068 H2 TIP3 3175 71.762 19.239 14.568 1.00 0.00 WT3 H ATOM 40069 OH2 TIP3 3176 25.511 29.497 1.590 1.00 0.00 WT3 O ATOM 40070 H1 TIP3 3176 24.827 30.122 1.829 1.00 0.00 WT3 H ATOM 40071 H2 TIP3 3176 25.103 28.935 0.932 1.00 0.00 WT3 H ATOM 40072 OH2 TIP3 3177 62.581 61.065 20.414 1.00 0.00 WT3 O ATOM 40073 H1 TIP3 3177 61.785 61.328 19.953 1.00 0.00 WT3 H ATOM 40074 H2 TIP3 3177 62.370 60.210 20.789 1.00 0.00 WT3 H ATOM 40075 OH2 TIP3 3178 43.660 54.087 2.650 1.00 0.00 WT3 O ATOM 40076 H1 TIP3 3178 43.591 54.692 3.388 1.00 0.00 WT3 H ATOM 40077 H2 TIP3 3178 44.207 53.373 2.975 1.00 0.00 WT3 H ATOM 40078 OH2 TIP3 3179 45.432 82.978 -12.637 1.00 0.00 WT3 O ATOM 40079 H1 TIP3 3179 45.471 83.601 -11.912 1.00 0.00 WT3 H ATOM 40080 H2 TIP3 3179 46.311 82.601 -12.677 1.00 0.00 WT3 H ATOM 40081 OH2 TIP3 3180 46.264 3.644 10.749 1.00 0.00 WT3 O ATOM 40082 H1 TIP3 3180 47.076 4.052 11.052 1.00 0.00 WT3 H ATOM 40083 H2 TIP3 3180 46.135 2.900 11.336 1.00 0.00 WT3 H ATOM 40084 OH2 TIP3 3181 25.619 73.413 51.737 1.00 0.00 WT3 O ATOM 40085 H1 TIP3 3181 24.930 74.077 51.702 1.00 0.00 WT3 H ATOM 40086 H2 TIP3 3181 25.327 72.732 51.132 1.00 0.00 WT3 H ATOM 40087 OH2 TIP3 3182 70.971 56.445 -11.168 1.00 0.00 WT3 O ATOM 40088 H1 TIP3 3182 71.269 57.137 -10.578 1.00 0.00 WT3 H ATOM 40089 H2 TIP3 3182 70.038 56.350 -10.974 1.00 0.00 WT3 H ATOM 40090 OH2 TIP3 3184 34.681 73.787 57.132 1.00 0.00 WT3 O ATOM 40091 H1 TIP3 3184 35.417 74.307 56.807 1.00 0.00 WT3 H ATOM 40092 H2 TIP3 3184 33.904 74.282 56.871 1.00 0.00 WT3 H ATOM 40093 OH2 TIP3 3185 58.319 81.216 8.304 1.00 0.00 WT3 O ATOM 40094 H1 TIP3 3185 58.188 80.284 8.132 1.00 0.00 WT3 H ATOM 40095 H2 TIP3 3185 57.474 81.519 8.638 1.00 0.00 WT3 H ATOM 40096 OH2 TIP3 3187 79.784 75.861 13.403 1.00 0.00 WT3 O ATOM 40097 H1 TIP3 3187 78.889 76.058 13.682 1.00 0.00 WT3 H ATOM 40098 H2 TIP3 3187 80.294 75.867 14.213 1.00 0.00 WT3 H ATOM 40099 OH2 TIP3 3188 64.570 73.609 5.459 1.00 0.00 WT3 O ATOM 40100 H1 TIP3 3188 65.013 73.417 6.285 1.00 0.00 WT3 H ATOM 40101 H2 TIP3 3188 64.003 72.852 5.309 1.00 0.00 WT3 H ATOM 40102 OH2 TIP3 3189 83.058 88.020 20.646 1.00 0.00 WT3 O ATOM 40103 H1 TIP3 3189 82.910 87.111 20.907 1.00 0.00 WT3 H ATOM 40104 H2 TIP3 3189 82.179 88.385 20.541 1.00 0.00 WT3 H ATOM 40105 OH2 TIP3 3192 54.729 17.823 63.663 1.00 0.00 WT3 O ATOM 40106 H1 TIP3 3192 54.345 18.207 62.875 1.00 0.00 WT3 H ATOM 40107 H2 TIP3 3192 55.586 17.502 63.381 1.00 0.00 WT3 H ATOM 40108 OH2 TIP3 3193 56.112 80.925 10.217 1.00 0.00 WT3 O ATOM 40109 H1 TIP3 3193 55.856 80.007 10.299 1.00 0.00 WT3 H ATOM 40110 H2 TIP3 3193 56.782 81.048 10.889 1.00 0.00 WT3 H ATOM 40111 OH2 TIP3 3194 27.100 26.198 13.142 1.00 0.00 WT3 O ATOM 40112 H1 TIP3 3194 26.637 25.386 12.935 1.00 0.00 WT3 H ATOM 40113 H2 TIP3 3194 27.469 26.484 12.307 1.00 0.00 WT3 H ATOM 40114 OH2 TIP3 3195 80.173 64.011 -3.959 1.00 0.00 WT3 O ATOM 40115 H1 TIP3 3195 80.630 64.153 -4.787 1.00 0.00 WT3 H ATOM 40116 H2 TIP3 3195 79.648 63.225 -4.106 1.00 0.00 WT3 H ATOM 40117 OH2 TIP3 3196 54.467 9.086 6.926 1.00 0.00 WT3 O ATOM 40118 H1 TIP3 3196 53.920 9.160 7.708 1.00 0.00 WT3 H ATOM 40119 H2 TIP3 3196 54.232 8.238 6.549 1.00 0.00 WT3 H ATOM 40120 OH2 TIP3 3198 87.004 62.671 37.251 1.00 0.00 WT3 O ATOM 40121 H1 TIP3 3198 86.504 63.439 36.977 1.00 0.00 WT3 H ATOM 40122 H2 TIP3 3198 86.363 61.961 37.270 1.00 0.00 WT3 H ATOM 40123 OH2 TIP3 3200 27.141 81.130 -1.693 1.00 0.00 WT3 O ATOM 40124 H1 TIP3 3200 28.001 80.718 -1.776 1.00 0.00 WT3 H ATOM 40125 H2 TIP3 3200 26.707 80.951 -2.527 1.00 0.00 WT3 H ATOM 40126 OH2 TIP3 3201 63.075 12.898 -15.240 1.00 0.00 WT3 O ATOM 40127 H1 TIP3 3201 63.705 12.177 -15.260 1.00 0.00 WT3 H ATOM 40128 H2 TIP3 3201 63.312 13.402 -14.461 1.00 0.00 WT3 H ATOM 40129 OH2 TIP3 3202 55.882 71.533 -6.624 1.00 0.00 WT3 O ATOM 40130 H1 TIP3 3202 55.764 70.765 -6.065 1.00 0.00 WT3 H ATOM 40131 H2 TIP3 3202 54.996 71.767 -6.901 1.00 0.00 WT3 H ATOM 40132 OH2 TIP3 3203 60.333 1.115 47.136 1.00 0.00 WT3 O ATOM 40133 H1 TIP3 3203 59.571 1.060 47.712 1.00 0.00 WT3 H ATOM 40134 H2 TIP3 3203 60.962 1.650 47.621 1.00 0.00 WT3 H ATOM 40135 OH2 TIP3 3204 64.318 44.946 4.122 1.00 0.00 WT3 O ATOM 40136 H1 TIP3 3204 63.789 44.699 3.363 1.00 0.00 WT3 H ATOM 40137 H2 TIP3 3204 63.678 45.127 4.810 1.00 0.00 WT3 H ATOM 40138 OH2 TIP3 3205 59.865 24.639 63.764 1.00 0.00 WT3 O ATOM 40139 H1 TIP3 3205 59.707 25.451 64.246 1.00 0.00 WT3 H ATOM 40140 H2 TIP3 3205 60.795 24.458 63.897 1.00 0.00 WT3 H ATOM 40141 OH2 TIP3 3206 43.843 39.836 6.872 1.00 0.00 WT3 O ATOM 40142 H1 TIP3 3206 43.246 39.809 7.619 1.00 0.00 WT3 H ATOM 40143 H2 TIP3 3206 44.711 39.702 7.254 1.00 0.00 WT3 H ATOM 40144 OH2 TIP3 3208 46.666 93.560 41.490 1.00 0.00 WT3 O ATOM 40145 H1 TIP3 3208 45.851 93.984 41.221 1.00 0.00 WT3 H ATOM 40146 H2 TIP3 3208 47.314 94.264 41.490 1.00 0.00 WT3 H ATOM 40147 OH2 TIP3 3209 84.401 78.219 34.878 1.00 0.00 WT3 O ATOM 40148 H1 TIP3 3209 84.902 78.761 35.488 1.00 0.00 WT3 H ATOM 40149 H2 TIP3 3209 84.595 78.586 34.016 1.00 0.00 WT3 H ATOM 40150 OH2 TIP3 3210 25.041 83.826 55.838 1.00 0.00 WT3 O ATOM 40151 H1 TIP3 3210 24.949 84.302 56.663 1.00 0.00 WT3 H ATOM 40152 H2 TIP3 3210 24.142 83.651 55.560 1.00 0.00 WT3 H ATOM 40153 OH2 TIP3 3211 66.464 21.762 63.291 1.00 0.00 WT3 O ATOM 40154 H1 TIP3 3211 67.053 21.013 63.200 1.00 0.00 WT3 H ATOM 40155 H2 TIP3 3211 67.036 22.487 63.542 1.00 0.00 WT3 H ATOM 40156 OH2 TIP3 3212 65.097 43.506 47.729 1.00 0.00 WT3 O ATOM 40157 H1 TIP3 3212 65.071 42.655 48.165 1.00 0.00 WT3 H ATOM 40158 H2 TIP3 3212 64.377 43.475 47.099 1.00 0.00 WT3 H ATOM 40159 OH2 TIP3 3213 20.337 60.760 58.999 1.00 0.00 WT3 O ATOM 40160 H1 TIP3 3213 20.937 60.114 59.372 1.00 0.00 WT3 H ATOM 40161 H2 TIP3 3213 20.862 61.231 58.352 1.00 0.00 WT3 H ATOM 40162 OH2 TIP3 3214 58.930 77.788 42.006 1.00 0.00 WT3 O ATOM 40163 H1 TIP3 3214 59.670 77.231 42.249 1.00 0.00 WT3 H ATOM 40164 H2 TIP3 3214 58.158 77.251 42.180 1.00 0.00 WT3 H ATOM 40165 OH2 TIP3 3215 38.762 17.153 -9.273 1.00 0.00 WT3 O ATOM 40166 H1 TIP3 3215 38.552 17.047 -8.345 1.00 0.00 WT3 H ATOM 40167 H2 TIP3 3215 39.645 17.524 -9.279 1.00 0.00 WT3 H ATOM 40168 OH2 TIP3 3216 86.740 63.842 21.508 1.00 0.00 WT3 O ATOM 40169 H1 TIP3 3216 87.110 62.964 21.599 1.00 0.00 WT3 H ATOM 40170 H2 TIP3 3216 85.871 63.779 21.905 1.00 0.00 WT3 H ATOM 40171 OH2 TIP3 3218 51.854 43.919 0.039 1.00 0.00 WT3 O ATOM 40172 H1 TIP3 3218 52.687 43.773 0.488 1.00 0.00 WT3 H ATOM 40173 H2 TIP3 3218 51.370 44.508 0.618 1.00 0.00 WT3 H ATOM 40174 OH2 TIP3 3219 71.055 74.453 17.982 1.00 0.00 WT3 O ATOM 40175 H1 TIP3 3219 70.771 74.461 18.896 1.00 0.00 WT3 H ATOM 40176 H2 TIP3 3219 70.244 74.385 17.479 1.00 0.00 WT3 H ATOM 40177 OH2 TIP3 3221 24.049 87.887 -6.916 1.00 0.00 WT3 O ATOM 40178 H1 TIP3 3221 23.326 88.154 -7.483 1.00 0.00 WT3 H ATOM 40179 H2 TIP3 3221 24.743 87.624 -7.521 1.00 0.00 WT3 H ATOM 40180 OH2 TIP3 3222 50.630 82.893 60.879 1.00 0.00 WT3 O ATOM 40181 H1 TIP3 3222 51.396 82.379 60.622 1.00 0.00 WT3 H ATOM 40182 H2 TIP3 3222 49.919 82.254 60.930 1.00 0.00 WT3 H ATOM 40183 OH2 TIP3 3223 42.443 46.478 8.974 1.00 0.00 WT3 O ATOM 40184 H1 TIP3 3223 43.221 45.953 9.163 1.00 0.00 WT3 H ATOM 40185 H2 TIP3 3223 42.294 46.981 9.775 1.00 0.00 WT3 H ATOM 40186 OH2 TIP3 3224 20.569 7.745 -10.629 1.00 0.00 WT3 O ATOM 40187 H1 TIP3 3224 20.697 7.059 -11.285 1.00 0.00 WT3 H ATOM 40188 H2 TIP3 3224 21.407 8.207 -10.600 1.00 0.00 WT3 H ATOM 40189 OH2 TIP3 3225 57.858 46.028 61.030 1.00 0.00 WT3 O ATOM 40190 H1 TIP3 3225 58.111 45.942 61.949 1.00 0.00 WT3 H ATOM 40191 H2 TIP3 3225 57.241 46.760 61.017 1.00 0.00 WT3 H ATOM 40192 OH2 TIP3 3227 52.385 63.620 -6.762 1.00 0.00 WT3 O ATOM 40193 H1 TIP3 3227 52.669 64.142 -6.012 1.00 0.00 WT3 H ATOM 40194 H2 TIP3 3227 51.429 63.643 -6.722 1.00 0.00 WT3 H ATOM 40195 OH2 TIP3 3228 80.759 69.637 19.603 1.00 0.00 WT3 O ATOM 40196 H1 TIP3 3228 80.671 69.408 18.678 1.00 0.00 WT3 H ATOM 40197 H2 TIP3 3228 80.532 68.835 20.072 1.00 0.00 WT3 H ATOM 40198 OH2 TIP3 3229 54.143 28.759 37.757 1.00 0.00 WT3 O ATOM 40199 H1 TIP3 3229 53.353 28.428 37.329 1.00 0.00 WT3 H ATOM 40200 H2 TIP3 3229 54.251 28.200 38.526 1.00 0.00 WT3 H ATOM 40201 OH2 TIP3 3230 58.747 53.460 22.669 1.00 0.00 WT3 O ATOM 40202 H1 TIP3 3230 58.396 53.016 21.897 1.00 0.00 WT3 H ATOM 40203 H2 TIP3 3230 58.024 54.000 22.985 1.00 0.00 WT3 H ATOM 40204 OH2 TIP3 3231 53.682 68.622 49.005 1.00 0.00 WT3 O ATOM 40205 H1 TIP3 3231 54.005 69.478 48.723 1.00 0.00 WT3 H ATOM 40206 H2 TIP3 3231 53.749 68.071 48.224 1.00 0.00 WT3 H ATOM 40207 OH2 TIP3 3232 66.571 57.455 58.478 1.00 0.00 WT3 O ATOM 40208 H1 TIP3 3232 65.866 57.412 59.124 1.00 0.00 WT3 H ATOM 40209 H2 TIP3 3232 66.454 58.304 58.051 1.00 0.00 WT3 H ATOM 40210 OH2 TIP3 3233 47.170 93.260 -7.183 1.00 0.00 WT3 O ATOM 40211 H1 TIP3 3233 47.698 92.464 -7.243 1.00 0.00 WT3 H ATOM 40212 H2 TIP3 3233 47.357 93.734 -7.994 1.00 0.00 WT3 H ATOM 40213 OH2 TIP3 3234 29.968 5.092 45.975 1.00 0.00 WT3 O ATOM 40214 H1 TIP3 3234 30.037 5.318 45.047 1.00 0.00 WT3 H ATOM 40215 H2 TIP3 3234 30.790 4.645 46.175 1.00 0.00 WT3 H ATOM 40216 OH2 TIP3 3235 38.188 91.152 31.390 1.00 0.00 WT3 O ATOM 40217 H1 TIP3 3235 37.939 91.202 30.467 1.00 0.00 WT3 H ATOM 40218 H2 TIP3 3235 38.629 90.307 31.474 1.00 0.00 WT3 H ATOM 40219 OH2 TIP3 3236 69.519 66.238 36.653 1.00 0.00 WT3 O ATOM 40220 H1 TIP3 3236 68.825 66.686 37.137 1.00 0.00 WT3 H ATOM 40221 H2 TIP3 3236 69.055 65.668 36.041 1.00 0.00 WT3 H ATOM 40222 OH2 TIP3 3237 58.606 7.565 31.580 1.00 0.00 WT3 O ATOM 40223 H1 TIP3 3237 59.023 6.704 31.595 1.00 0.00 WT3 H ATOM 40224 H2 TIP3 3237 58.827 7.924 30.721 1.00 0.00 WT3 H ATOM 40225 OH2 TIP3 3238 71.828 80.313 42.400 1.00 0.00 WT3 O ATOM 40226 H1 TIP3 3238 71.074 80.023 42.913 1.00 0.00 WT3 H ATOM 40227 H2 TIP3 3238 72.409 80.725 43.039 1.00 0.00 WT3 H ATOM 40228 OH2 TIP3 3240 55.028 4.860 64.410 1.00 0.00 WT3 O ATOM 40229 H1 TIP3 3240 55.102 5.368 63.602 1.00 0.00 WT3 H ATOM 40230 H2 TIP3 3240 55.923 4.582 64.603 1.00 0.00 WT3 H ATOM 40231 OH2 TIP3 3242 48.536 17.351 5.747 1.00 0.00 WT3 O ATOM 40232 H1 TIP3 3242 48.718 18.088 6.331 1.00 0.00 WT3 H ATOM 40233 H2 TIP3 3242 47.599 17.187 5.854 1.00 0.00 WT3 H ATOM 40234 OH2 TIP3 3244 55.161 74.962 -18.648 1.00 0.00 WT3 O ATOM 40235 H1 TIP3 3244 55.085 74.740 -19.576 1.00 0.00 WT3 H ATOM 40236 H2 TIP3 3244 54.505 75.645 -18.510 1.00 0.00 WT3 H ATOM 40237 OH2 TIP3 3245 24.885 57.977 46.134 1.00 0.00 WT3 O ATOM 40238 H1 TIP3 3245 25.372 57.492 45.467 1.00 0.00 WT3 H ATOM 40239 H2 TIP3 3245 25.475 58.684 46.394 1.00 0.00 WT3 H ATOM 40240 OH2 TIP3 3246 37.013 82.388 21.914 1.00 0.00 WT3 O ATOM 40241 H1 TIP3 3246 37.908 82.217 22.206 1.00 0.00 WT3 H ATOM 40242 H2 TIP3 3246 37.115 82.801 21.056 1.00 0.00 WT3 H ATOM 40243 OH2 TIP3 3247 89.837 11.846 42.284 1.00 0.00 WT3 O ATOM 40244 H1 TIP3 3247 88.987 11.925 42.716 1.00 0.00 WT3 H ATOM 40245 H2 TIP3 3247 90.314 11.201 42.808 1.00 0.00 WT3 H ATOM 40246 OH2 TIP3 3248 39.961 93.403 14.369 1.00 0.00 WT3 O ATOM 40247 H1 TIP3 3248 39.511 93.733 15.146 1.00 0.00 WT3 H ATOM 40248 H2 TIP3 3248 39.538 92.564 14.186 1.00 0.00 WT3 H ATOM 40249 OH2 TIP3 3249 66.483 67.271 33.505 1.00 0.00 WT3 O ATOM 40250 H1 TIP3 3249 66.231 66.667 34.204 1.00 0.00 WT3 H ATOM 40251 H2 TIP3 3249 65.758 67.232 32.881 1.00 0.00 WT3 H ATOM 40252 OH2 TIP3 3250 36.431 4.868 49.935 1.00 0.00 WT3 O ATOM 40253 H1 TIP3 3250 35.913 5.372 49.308 1.00 0.00 WT3 H ATOM 40254 H2 TIP3 3250 36.095 3.975 49.861 1.00 0.00 WT3 H ATOM 40255 OH2 TIP3 3251 38.287 2.390 11.355 1.00 0.00 WT3 O ATOM 40256 H1 TIP3 3251 38.232 3.273 11.721 1.00 0.00 WT3 H ATOM 40257 H2 TIP3 3251 38.310 2.525 10.407 1.00 0.00 WT3 H ATOM 40258 OH2 TIP3 3252 65.942 2.860 63.984 1.00 0.00 WT3 O ATOM 40259 H1 TIP3 3252 66.776 2.563 63.619 1.00 0.00 WT3 H ATOM 40260 H2 TIP3 3252 65.481 2.054 64.216 1.00 0.00 WT3 H ATOM 40261 OH2 TIP3 3253 53.751 78.309 -4.815 1.00 0.00 WT3 O ATOM 40262 H1 TIP3 3253 53.872 77.401 -4.537 1.00 0.00 WT3 H ATOM 40263 H2 TIP3 3253 53.571 78.250 -5.753 1.00 0.00 WT3 H ATOM 40264 OH2 TIP3 3254 46.405 87.003 36.359 1.00 0.00 WT3 O ATOM 40265 H1 TIP3 3254 45.793 86.279 36.227 1.00 0.00 WT3 H ATOM 40266 H2 TIP3 3254 47.088 86.863 35.703 1.00 0.00 WT3 H ATOM 40267 OH2 TIP3 3255 36.764 61.881 49.375 1.00 0.00 WT3 O ATOM 40268 H1 TIP3 3255 36.645 62.816 49.207 1.00 0.00 WT3 H ATOM 40269 H2 TIP3 3255 37.009 61.514 48.525 1.00 0.00 WT3 H ATOM 40270 OH2 TIP3 3256 35.740 14.960 31.834 1.00 0.00 WT3 O ATOM 40271 H1 TIP3 3256 36.421 15.132 32.485 1.00 0.00 WT3 H ATOM 40272 H2 TIP3 3256 35.952 15.544 31.105 1.00 0.00 WT3 H ATOM 40273 OH2 TIP3 3257 51.312 34.292 -9.087 1.00 0.00 WT3 O ATOM 40274 H1 TIP3 3257 50.798 34.034 -8.322 1.00 0.00 WT3 H ATOM 40275 H2 TIP3 3257 52.219 34.275 -8.783 1.00 0.00 WT3 H ATOM 40276 OH2 TIP3 3258 87.130 70.091 43.737 1.00 0.00 WT3 O ATOM 40277 H1 TIP3 3258 86.543 69.470 43.307 1.00 0.00 WT3 H ATOM 40278 H2 TIP3 3258 87.972 69.638 43.777 1.00 0.00 WT3 H ATOM 40279 OH2 TIP3 3259 83.987 12.393 36.544 1.00 0.00 WT3 O ATOM 40280 H1 TIP3 3259 83.969 13.346 36.466 1.00 0.00 WT3 H ATOM 40281 H2 TIP3 3259 83.643 12.077 35.708 1.00 0.00 WT3 H ATOM 40282 OH2 TIP3 3261 40.361 71.461 24.580 1.00 0.00 WT3 O ATOM 40283 H1 TIP3 3261 41.131 71.845 24.999 1.00 0.00 WT3 H ATOM 40284 H2 TIP3 3261 40.466 70.517 24.704 1.00 0.00 WT3 H ATOM 40285 OH2 TIP3 3262 72.473 72.209 45.536 1.00 0.00 WT3 O ATOM 40286 H1 TIP3 3262 73.294 72.011 45.087 1.00 0.00 WT3 H ATOM 40287 H2 TIP3 3262 71.967 72.715 44.900 1.00 0.00 WT3 H ATOM 40288 OH2 TIP3 3263 44.188 5.271 -15.314 1.00 0.00 WT3 O ATOM 40289 H1 TIP3 3263 43.627 5.904 -14.866 1.00 0.00 WT3 H ATOM 40290 H2 TIP3 3263 44.136 5.517 -16.238 1.00 0.00 WT3 H ATOM 40291 OH2 TIP3 3266 28.791 1.637 9.589 1.00 0.00 WT3 O ATOM 40292 H1 TIP3 3266 28.225 1.671 10.359 1.00 0.00 WT3 H ATOM 40293 H2 TIP3 3266 28.629 2.464 9.134 1.00 0.00 WT3 H ATOM 40294 OH2 TIP3 3268 80.097 80.362 22.260 1.00 0.00 WT3 O ATOM 40295 H1 TIP3 3268 79.975 79.732 22.970 1.00 0.00 WT3 H ATOM 40296 H2 TIP3 3268 79.727 79.930 21.490 1.00 0.00 WT3 H ATOM 40297 OH2 TIP3 3269 51.743 57.990 10.976 1.00 0.00 WT3 O ATOM 40298 H1 TIP3 3269 52.596 57.580 10.836 1.00 0.00 WT3 H ATOM 40299 H2 TIP3 3269 51.734 58.212 11.907 1.00 0.00 WT3 H ATOM 40300 OH2 TIP3 3271 22.099 20.939 12.346 1.00 0.00 WT3 O ATOM 40301 H1 TIP3 3271 22.995 20.973 12.681 1.00 0.00 WT3 H ATOM 40302 H2 TIP3 3271 22.028 20.076 11.938 1.00 0.00 WT3 H ATOM 40303 OH2 TIP3 3272 27.563 84.751 -11.284 1.00 0.00 WT3 O ATOM 40304 H1 TIP3 3272 28.497 84.960 -11.287 1.00 0.00 WT3 H ATOM 40305 H2 TIP3 3272 27.178 85.368 -11.906 1.00 0.00 WT3 H ATOM 40306 OH2 TIP3 3273 40.775 2.377 16.919 1.00 0.00 WT3 O ATOM 40307 H1 TIP3 3273 40.039 1.863 17.251 1.00 0.00 WT3 H ATOM 40308 H2 TIP3 3273 41.065 1.905 16.139 1.00 0.00 WT3 H ATOM 40309 OH2 TIP3 3274 71.085 16.409 56.644 1.00 0.00 WT3 O ATOM 40310 H1 TIP3 3274 71.465 15.783 56.027 1.00 0.00 WT3 H ATOM 40311 H2 TIP3 3274 71.780 17.051 56.792 1.00 0.00 WT3 H ATOM 40312 OH2 TIP3 3280 22.072 80.445 -13.003 1.00 0.00 WT3 O ATOM 40313 H1 TIP3 3280 22.853 79.929 -12.805 1.00 0.00 WT3 H ATOM 40314 H2 TIP3 3280 21.961 80.359 -13.950 1.00 0.00 WT3 H ATOM 40315 OH2 TIP3 3282 89.456 57.921 3.966 1.00 0.00 WT3 O ATOM 40316 H1 TIP3 3282 88.545 57.937 3.672 1.00 0.00 WT3 H ATOM 40317 H2 TIP3 3282 89.909 57.389 3.312 1.00 0.00 WT3 H ATOM 40318 OH2 TIP3 3286 45.474 31.945 -7.768 1.00 0.00 WT3 O ATOM 40319 H1 TIP3 3286 45.666 32.747 -7.282 1.00 0.00 WT3 H ATOM 40320 H2 TIP3 3286 45.456 31.259 -7.102 1.00 0.00 WT3 H ATOM 40321 OH2 TIP3 3287 25.941 73.514 2.862 1.00 0.00 WT3 O ATOM 40322 H1 TIP3 3287 26.824 73.812 2.645 1.00 0.00 WT3 H ATOM 40323 H2 TIP3 3287 25.626 73.094 2.062 1.00 0.00 WT3 H ATOM 40324 OH2 TIP3 3291 64.640 81.065 3.418 1.00 0.00 WT3 O ATOM 40325 H1 TIP3 3291 64.547 80.400 2.736 1.00 0.00 WT3 H ATOM 40326 H2 TIP3 3291 63.743 81.254 3.693 1.00 0.00 WT3 H ATOM 40327 OH2 TIP3 3292 52.161 85.751 60.215 1.00 0.00 WT3 O ATOM 40328 H1 TIP3 3292 51.515 85.302 60.759 1.00 0.00 WT3 H ATOM 40329 H2 TIP3 3292 51.743 86.579 59.979 1.00 0.00 WT3 H ATOM 40330 OH2 TIP3 3293 82.556 12.359 2.842 1.00 0.00 WT3 O ATOM 40331 H1 TIP3 3293 81.879 12.881 3.272 1.00 0.00 WT3 H ATOM 40332 H2 TIP3 3293 82.421 11.471 3.173 1.00 0.00 WT3 H ATOM 40333 OH2 TIP3 3294 46.072 58.858 47.298 1.00 0.00 WT3 O ATOM 40334 H1 TIP3 3294 46.624 59.638 47.239 1.00 0.00 WT3 H ATOM 40335 H2 TIP3 3294 45.945 58.584 46.390 1.00 0.00 WT3 H ATOM 40336 OH2 TIP3 3295 88.280 77.376 56.816 1.00 0.00 WT3 O ATOM 40337 H1 TIP3 3295 87.464 77.109 56.391 1.00 0.00 WT3 H ATOM 40338 H2 TIP3 3295 88.889 76.659 56.638 1.00 0.00 WT3 H ATOM 40339 OH2 TIP3 3296 25.354 7.907 62.002 1.00 0.00 WT3 O ATOM 40340 H1 TIP3 3296 25.006 8.679 62.448 1.00 0.00 WT3 H ATOM 40341 H2 TIP3 3296 25.949 8.260 61.340 1.00 0.00 WT3 H ATOM 40342 OH2 TIP3 3300 59.423 16.368 -14.423 1.00 0.00 WT3 O ATOM 40343 H1 TIP3 3300 59.684 16.634 -13.541 1.00 0.00 WT3 H ATOM 40344 H2 TIP3 3300 60.240 16.100 -14.844 1.00 0.00 WT3 H ATOM 40345 OH2 TIP3 3301 42.176 84.015 33.077 1.00 0.00 WT3 O ATOM 40346 H1 TIP3 3301 41.246 84.197 33.210 1.00 0.00 WT3 H ATOM 40347 H2 TIP3 3301 42.236 83.060 33.077 1.00 0.00 WT3 H ATOM 40348 OH2 TIP3 3302 80.826 10.387 43.792 1.00 0.00 WT3 O ATOM 40349 H1 TIP3 3302 80.983 11.289 44.071 1.00 0.00 WT3 H ATOM 40350 H2 TIP3 3302 80.749 10.440 42.839 1.00 0.00 WT3 H ATOM 40351 OH2 TIP3 3303 83.940 56.089 34.951 1.00 0.00 WT3 O ATOM 40352 H1 TIP3 3303 83.731 57.004 34.765 1.00 0.00 WT3 H ATOM 40353 H2 TIP3 3303 83.630 55.949 35.846 1.00 0.00 WT3 H ATOM 40354 OH2 TIP3 3304 84.780 39.567 9.277 1.00 0.00 WT3 O ATOM 40355 H1 TIP3 3304 83.828 39.652 9.339 1.00 0.00 WT3 H ATOM 40356 H2 TIP3 3304 85.003 38.896 9.921 1.00 0.00 WT3 H ATOM 40357 OH2 TIP3 3305 51.676 13.769 -3.135 1.00 0.00 WT3 O ATOM 40358 H1 TIP3 3305 51.620 14.264 -3.953 1.00 0.00 WT3 H ATOM 40359 H2 TIP3 3305 51.713 14.438 -2.452 1.00 0.00 WT3 H ATOM 40360 OH2 TIP3 3306 75.730 85.888 -11.949 1.00 0.00 WT3 O ATOM 40361 H1 TIP3 3306 74.983 86.128 -11.401 1.00 0.00 WT3 H ATOM 40362 H2 TIP3 3306 75.807 86.606 -12.577 1.00 0.00 WT3 H ATOM 40363 OH2 TIP3 3307 39.566 96.093 49.409 1.00 0.00 WT3 O ATOM 40364 H1 TIP3 3307 39.081 95.842 50.195 1.00 0.00 WT3 H ATOM 40365 H2 TIP3 3307 38.958 96.644 48.917 1.00 0.00 WT3 H ATOM 40366 OH2 TIP3 3309 85.011 5.194 -10.009 1.00 0.00 WT3 O ATOM 40367 H1 TIP3 3309 84.921 5.090 -9.062 1.00 0.00 WT3 H ATOM 40368 H2 TIP3 3309 85.012 4.300 -10.350 1.00 0.00 WT3 H ATOM 40369 OH2 TIP3 3310 30.615 84.305 7.057 1.00 0.00 WT3 O ATOM 40370 H1 TIP3 3310 29.805 84.504 7.528 1.00 0.00 WT3 H ATOM 40371 H2 TIP3 3310 30.817 83.402 7.298 1.00 0.00 WT3 H ATOM 40372 OH2 TIP3 3312 33.285 70.595 -16.246 1.00 0.00 WT3 O ATOM 40373 H1 TIP3 3312 33.381 71.537 -16.383 1.00 0.00 WT3 H ATOM 40374 H2 TIP3 3312 34.165 70.242 -16.381 1.00 0.00 WT3 H ATOM 40375 OH2 TIP3 3313 46.292 69.396 31.415 1.00 0.00 WT3 O ATOM 40376 H1 TIP3 3313 46.884 68.685 31.168 1.00 0.00 WT3 H ATOM 40377 H2 TIP3 3313 46.721 69.818 32.159 1.00 0.00 WT3 H ATOM 40378 OH2 TIP3 3316 63.875 8.330 9.217 1.00 0.00 WT3 O ATOM 40379 H1 TIP3 3316 63.021 8.670 9.485 1.00 0.00 WT3 H ATOM 40380 H2 TIP3 3316 64.495 9.015 9.468 1.00 0.00 WT3 H ATOM 40381 OH2 TIP3 3317 44.332 14.551 11.058 1.00 0.00 WT3 O ATOM 40382 H1 TIP3 3317 44.099 15.135 11.780 1.00 0.00 WT3 H ATOM 40383 H2 TIP3 3317 43.939 13.711 11.293 1.00 0.00 WT3 H ATOM 40384 OH2 TIP3 3324 63.106 73.355 51.971 1.00 0.00 WT3 O ATOM 40385 H1 TIP3 3324 62.911 73.701 51.101 1.00 0.00 WT3 H ATOM 40386 H2 TIP3 3324 63.408 74.114 52.469 1.00 0.00 WT3 H ATOM 40387 OH2 TIP3 3331 40.165 78.205 54.943 1.00 0.00 WT3 O ATOM 40388 H1 TIP3 3331 40.147 78.085 53.994 1.00 0.00 WT3 H ATOM 40389 H2 TIP3 3331 40.521 79.085 55.067 1.00 0.00 WT3 H ATOM 40390 OH2 TIP3 3334 39.119 90.171 -16.217 1.00 0.00 WT3 O ATOM 40391 H1 TIP3 3334 39.184 89.224 -16.096 1.00 0.00 WT3 H ATOM 40392 H2 TIP3 3334 38.781 90.276 -17.106 1.00 0.00 WT3 H ATOM 40393 OH2 TIP3 3335 56.181 70.058 58.132 1.00 0.00 WT3 O ATOM 40394 H1 TIP3 3335 56.122 70.327 57.216 1.00 0.00 WT3 H ATOM 40395 H2 TIP3 3335 56.820 70.657 58.518 1.00 0.00 WT3 H ATOM 40396 OH2 TIP3 3338 79.150 70.634 11.072 1.00 0.00 WT3 O ATOM 40397 H1 TIP3 3338 79.466 70.523 10.175 1.00 0.00 WT3 H ATOM 40398 H2 TIP3 3338 79.401 69.825 11.517 1.00 0.00 WT3 H ATOM 40399 OH2 TIP3 3347 40.132 83.580 30.086 1.00 0.00 WT3 O ATOM 40400 H1 TIP3 3347 41.016 83.882 29.873 1.00 0.00 WT3 H ATOM 40401 H2 TIP3 3347 39.880 83.034 29.342 1.00 0.00 WT3 H ATOM 40402 OH2 TIP3 3348 72.399 23.361 17.016 1.00 0.00 WT3 O ATOM 40403 H1 TIP3 3348 72.118 22.651 16.440 1.00 0.00 WT3 H ATOM 40404 H2 TIP3 3348 71.584 23.774 17.302 1.00 0.00 WT3 H ATOM 40405 OH2 TIP3 3350 29.582 79.748 56.256 1.00 0.00 WT3 O ATOM 40406 H1 TIP3 3350 29.700 79.268 55.437 1.00 0.00 WT3 H ATOM 40407 H2 TIP3 3350 30.458 79.786 56.640 1.00 0.00 WT3 H ATOM 40408 OH2 TIP3 3354 51.180 85.703 -2.570 1.00 0.00 WT3 O ATOM 40409 H1 TIP3 3354 50.540 86.414 -2.540 1.00 0.00 WT3 H ATOM 40410 H2 TIP3 3354 51.710 85.824 -1.782 1.00 0.00 WT3 H ATOM 40411 OH2 TIP3 3367 22.688 83.113 36.829 1.00 0.00 WT3 O ATOM 40412 H1 TIP3 3367 21.883 83.586 37.041 1.00 0.00 WT3 H ATOM 40413 H2 TIP3 3367 22.466 82.597 36.054 1.00 0.00 WT3 H ATOM 40414 OH2 TIP3 3369 63.362 23.186 -3.780 1.00 0.00 WT3 O ATOM 40415 H1 TIP3 3369 63.751 22.334 -3.980 1.00 0.00 WT3 H ATOM 40416 H2 TIP3 3369 63.049 23.101 -2.880 1.00 0.00 WT3 H ATOM 40417 OH2 TIP3 3382 71.699 2.987 31.689 1.00 0.00 WT3 O ATOM 40418 H1 TIP3 3382 71.056 2.372 31.338 1.00 0.00 WT3 H ATOM 40419 H2 TIP3 3382 71.345 3.851 31.479 1.00 0.00 WT3 H ATOM 40420 OH2 TIP3 3408 61.603 52.432 51.471 1.00 0.00 WT3 O ATOM 40421 H1 TIP3 3408 61.672 52.652 50.542 1.00 0.00 WT3 H ATOM 40422 H2 TIP3 3408 61.985 51.557 51.540 1.00 0.00 WT3 H ATOM 40423 OH2 TIP3 3426 33.560 50.409 9.015 1.00 0.00 WT3 O ATOM 40424 H1 TIP3 3426 34.510 50.450 9.126 1.00 0.00 WT3 H ATOM 40425 H2 TIP3 3426 33.421 50.558 8.080 1.00 0.00 WT3 H ATOM 40426 OH2 TIP3 3440 38.029 75.054 33.883 1.00 0.00 WT3 O ATOM 40427 H1 TIP3 3440 38.272 74.756 33.006 1.00 0.00 WT3 H ATOM 40428 H2 TIP3 3440 38.851 75.047 34.374 1.00 0.00 WT3 H ATOM 40429 OH2 TIP3 3447 79.638 96.585 41.950 1.00 0.00 WT3 O ATOM 40430 H1 TIP3 3447 78.949 97.249 41.965 1.00 0.00 WT3 H ATOM 40431 H2 TIP3 3447 79.176 95.756 42.076 1.00 0.00 WT3 H ATOM 40432 OH2 TIP3 3480 39.762 83.700 4.376 1.00 0.00 WT3 O ATOM 40433 H1 TIP3 3480 38.987 83.774 4.933 1.00 0.00 WT3 H ATOM 40434 H2 TIP3 3480 39.430 83.351 3.549 1.00 0.00 WT3 H ATOM 40435 OH2 TIP3 3484 49.153 69.602 65.785 1.00 0.00 WT3 O ATOM 40436 H1 TIP3 3484 48.597 70.178 65.260 1.00 0.00 WT3 H ATOM 40437 H2 TIP3 3484 48.724 69.567 66.639 1.00 0.00 WT3 H ATOM 40438 OH2 TIP3 3496 81.506 75.418 31.167 1.00 0.00 WT3 O ATOM 40439 H1 TIP3 3496 80.834 75.742 31.767 1.00 0.00 WT3 H ATOM 40440 H2 TIP3 3496 82.020 76.193 30.941 1.00 0.00 WT3 H ATOM 40441 OH2 TIP3 3497 76.713 82.251 19.506 1.00 0.00 WT3 O ATOM 40442 H1 TIP3 3497 76.809 82.132 20.450 1.00 0.00 WT3 H ATOM 40443 H2 TIP3 3497 76.210 81.489 19.217 1.00 0.00 WT3 H ATOM 40444 OH2 TIP3 3511 42.849 34.807 64.455 1.00 0.00 WT3 O ATOM 40445 H1 TIP3 3511 43.341 34.184 63.920 1.00 0.00 WT3 H ATOM 40446 H2 TIP3 3511 41.940 34.517 64.386 1.00 0.00 WT3 H ATOM 40447 OH2 TIP3 3513 57.873 85.861 6.271 1.00 0.00 WT3 O ATOM 40448 H1 TIP3 3513 58.040 85.603 7.178 1.00 0.00 WT3 H ATOM 40449 H2 TIP3 3513 57.158 85.292 5.988 1.00 0.00 WT3 H ATOM 40450 OH2 TIP3 3514 79.032 61.147 -3.869 1.00 0.00 WT3 O ATOM 40451 H1 TIP3 3514 79.896 60.753 -3.983 1.00 0.00 WT3 H ATOM 40452 H2 TIP3 3514 78.768 61.407 -4.751 1.00 0.00 WT3 H ATOM 40453 OH2 TIP3 3521 28.662 53.807 46.237 1.00 0.00 WT3 O ATOM 40454 H1 TIP3 3521 28.835 53.346 47.058 1.00 0.00 WT3 H ATOM 40455 H2 TIP3 3521 28.696 53.124 45.567 1.00 0.00 WT3 H ATOM 40456 OH2 TIP3 3526 65.598 88.412 -11.133 1.00 0.00 WT3 O ATOM 40457 H1 TIP3 3526 65.596 89.200 -10.590 1.00 0.00 WT3 H ATOM 40458 H2 TIP3 3526 64.672 88.212 -11.269 1.00 0.00 WT3 H ATOM 40459 OH2 TIP3 3527 83.402 71.862 25.999 1.00 0.00 WT3 O ATOM 40460 H1 TIP3 3527 82.765 71.159 26.125 1.00 0.00 WT3 H ATOM 40461 H2 TIP3 3527 83.855 71.929 26.840 1.00 0.00 WT3 H ATOM 40462 OH2 TIP3 3533 22.871 1.850 -4.118 1.00 0.00 WT3 O ATOM 40463 H1 TIP3 3533 23.310 2.488 -4.681 1.00 0.00 WT3 H ATOM 40464 H2 TIP3 3533 23.387 1.050 -4.215 1.00 0.00 WT3 H ATOM 40465 OH2 TIP3 3534 43.143 33.378 47.535 1.00 0.00 WT3 O ATOM 40466 H1 TIP3 3534 43.368 33.946 48.271 1.00 0.00 WT3 H ATOM 40467 H2 TIP3 3534 43.484 33.834 46.766 1.00 0.00 WT3 H ATOM 40468 OH2 TIP3 3537 71.325 47.669 1.092 1.00 0.00 WT3 O ATOM 40469 H1 TIP3 3537 71.174 48.290 1.805 1.00 0.00 WT3 H ATOM 40470 H2 TIP3 3537 72.208 47.871 0.782 1.00 0.00 WT3 H ATOM 40471 OH2 TIP3 3544 35.687 50.213 29.860 1.00 0.00 WT3 O ATOM 40472 H1 TIP3 3544 36.220 50.998 29.733 1.00 0.00 WT3 H ATOM 40473 H2 TIP3 3544 35.256 50.349 30.703 1.00 0.00 WT3 H ATOM 40474 OH2 TIP3 3545 81.260 51.345 45.559 1.00 0.00 WT3 O ATOM 40475 H1 TIP3 3545 82.184 51.592 45.522 1.00 0.00 WT3 H ATOM 40476 H2 TIP3 3545 80.912 51.588 44.702 1.00 0.00 WT3 H ATOM 40477 OH2 TIP3 3546 90.713 56.406 64.791 1.00 0.00 WT3 O ATOM 40478 H1 TIP3 3546 89.944 55.977 65.167 1.00 0.00 WT3 H ATOM 40479 H2 TIP3 3546 90.434 57.310 64.644 1.00 0.00 WT3 H ATOM 40480 OH2 TIP3 3548 47.221 76.622 -5.054 1.00 0.00 WT3 O ATOM 40481 H1 TIP3 3548 48.117 76.304 -4.946 1.00 0.00 WT3 H ATOM 40482 H2 TIP3 3548 46.674 75.846 -4.934 1.00 0.00 WT3 H ATOM 40483 OH2 TIP3 3552 57.499 9.577 14.866 1.00 0.00 WT3 O ATOM 40484 H1 TIP3 3552 56.701 9.943 15.247 1.00 0.00 WT3 H ATOM 40485 H2 TIP3 3552 57.782 8.913 15.495 1.00 0.00 WT3 H ATOM 40486 OH2 TIP3 3554 71.675 63.333 -18.649 1.00 0.00 WT3 O ATOM 40487 H1 TIP3 3554 71.703 62.528 -18.132 1.00 0.00 WT3 H ATOM 40488 H2 TIP3 3554 71.980 63.072 -19.518 1.00 0.00 WT3 H ATOM 40489 OH2 TIP3 3555 47.774 73.792 -6.454 1.00 0.00 WT3 O ATOM 40490 H1 TIP3 3555 48.231 74.355 -5.829 1.00 0.00 WT3 H ATOM 40491 H2 TIP3 3555 47.943 72.902 -6.144 1.00 0.00 WT3 H ATOM 40492 OH2 TIP3 3556 40.682 83.073 41.069 1.00 0.00 WT3 O ATOM 40493 H1 TIP3 3556 41.368 83.030 41.735 1.00 0.00 WT3 H ATOM 40494 H2 TIP3 3556 40.787 82.267 40.564 1.00 0.00 WT3 H ATOM 40495 OH2 TIP3 3561 55.693 67.109 11.148 1.00 0.00 WT3 O ATOM 40496 H1 TIP3 3561 55.371 66.629 10.385 1.00 0.00 WT3 H ATOM 40497 H2 TIP3 3561 56.212 66.469 11.634 1.00 0.00 WT3 H ATOM 40498 OH2 TIP3 3566 37.885 94.070 28.437 1.00 0.00 WT3 O ATOM 40499 H1 TIP3 3566 38.389 93.413 27.957 1.00 0.00 WT3 H ATOM 40500 H2 TIP3 3566 38.547 94.625 28.849 1.00 0.00 WT3 H ATOM 40501 OH2 TIP3 3569 84.538 81.318 60.711 1.00 0.00 WT3 O ATOM 40502 H1 TIP3 3569 84.759 81.879 59.967 1.00 0.00 WT3 H ATOM 40503 H2 TIP3 3569 83.581 81.305 60.725 1.00 0.00 WT3 H ATOM 40504 OH2 TIP3 3571 33.328 87.186 2.365 1.00 0.00 WT3 O ATOM 40505 H1 TIP3 3571 33.447 87.267 3.311 1.00 0.00 WT3 H ATOM 40506 H2 TIP3 3571 34.161 86.836 2.048 1.00 0.00 WT3 H ATOM 40507 OH2 TIP3 3573 34.591 39.182 58.376 1.00 0.00 WT3 O ATOM 40508 H1 TIP3 3573 34.173 39.446 59.196 1.00 0.00 WT3 H ATOM 40509 H2 TIP3 3573 34.349 39.866 57.752 1.00 0.00 WT3 H ATOM 40510 OH2 TIP3 3575 38.706 2.349 64.140 1.00 0.00 WT3 O ATOM 40511 H1 TIP3 3575 39.171 2.937 63.544 1.00 0.00 WT3 H ATOM 40512 H2 TIP3 3575 39.347 2.142 64.821 1.00 0.00 WT3 H ATOM 40513 OH2 TIP3 3579 66.643 0.021 8.141 1.00 0.00 WT3 O ATOM 40514 H1 TIP3 3579 66.220 0.764 7.710 1.00 0.00 WT3 H ATOM 40515 H2 TIP3 3579 66.445 0.138 9.071 1.00 0.00 WT3 H ATOM 40516 OH2 TIP3 3580 39.023 31.003 -19.712 1.00 0.00 WT3 O ATOM 40517 H1 TIP3 3580 38.919 30.757 -18.793 1.00 0.00 WT3 H ATOM 40518 H2 TIP3 3580 38.220 31.477 -19.927 1.00 0.00 WT3 H ATOM 40519 OH2 TIP3 3585 21.556 18.449 33.961 1.00 0.00 WT3 O ATOM 40520 H1 TIP3 3585 20.966 18.193 33.251 1.00 0.00 WT3 H ATOM 40521 H2 TIP3 3585 21.205 18.008 34.735 1.00 0.00 WT3 H ATOM 40522 OH2 TIP3 3586 35.945 48.509 18.001 1.00 0.00 WT3 O ATOM 40523 H1 TIP3 3586 36.695 48.510 17.407 1.00 0.00 WT3 H ATOM 40524 H2 TIP3 3586 36.301 48.207 18.837 1.00 0.00 WT3 H ATOM 40525 OH2 TIP3 3588 27.191 76.457 -19.840 1.00 0.00 WT3 O ATOM 40526 H1 TIP3 3588 27.768 76.485 -19.077 1.00 0.00 WT3 H ATOM 40527 H2 TIP3 3588 26.372 76.088 -19.507 1.00 0.00 WT3 H ATOM 40528 OH2 TIP3 3589 44.323 74.985 57.753 1.00 0.00 WT3 O ATOM 40529 H1 TIP3 3589 45.204 74.992 57.378 1.00 0.00 WT3 H ATOM 40530 H2 TIP3 3589 43.742 75.118 57.003 1.00 0.00 WT3 H ATOM 40531 OH2 TIP3 3590 36.600 95.950 50.845 1.00 0.00 WT3 O ATOM 40532 H1 TIP3 3590 36.989 96.806 51.023 1.00 0.00 WT3 H ATOM 40533 H2 TIP3 3590 36.012 96.102 50.105 1.00 0.00 WT3 H ATOM 40534 OH2 TIP3 3593 34.989 57.196 64.978 1.00 0.00 WT3 O ATOM 40535 H1 TIP3 3593 35.444 56.747 65.690 1.00 0.00 WT3 H ATOM 40536 H2 TIP3 3593 34.228 57.599 65.396 1.00 0.00 WT3 H ATOM 40537 OH2 TIP3 3595 50.715 63.871 65.883 1.00 0.00 WT3 O ATOM 40538 H1 TIP3 3595 51.207 63.972 65.069 1.00 0.00 WT3 H ATOM 40539 H2 TIP3 3595 51.241 64.328 66.540 1.00 0.00 WT3 H ATOM 40540 OH2 TIP3 3596 63.519 93.448 55.697 1.00 0.00 WT3 O ATOM 40541 H1 TIP3 3596 62.757 93.900 55.335 1.00 0.00 WT3 H ATOM 40542 H2 TIP3 3596 63.597 93.786 56.589 1.00 0.00 WT3 H ATOM 40543 OH2 TIP3 3597 76.621 51.660 4.008 1.00 0.00 WT3 O ATOM 40544 H1 TIP3 3597 76.149 52.312 3.490 1.00 0.00 WT3 H ATOM 40545 H2 TIP3 3597 75.999 51.397 4.688 1.00 0.00 WT3 H ATOM 40546 OH2 TIP3 3598 58.848 12.474 3.798 1.00 0.00 WT3 O ATOM 40547 H1 TIP3 3598 58.678 13.126 4.479 1.00 0.00 WT3 H ATOM 40548 H2 TIP3 3598 58.225 12.685 3.103 1.00 0.00 WT3 H ATOM 40549 OH2 TIP3 3599 40.102 41.348 -9.064 1.00 0.00 WT3 O ATOM 40550 H1 TIP3 3599 40.705 40.825 -8.537 1.00 0.00 WT3 H ATOM 40551 H2 TIP3 3599 39.385 40.750 -9.275 1.00 0.00 WT3 H ATOM 40552 OH2 TIP3 3600 54.099 84.732 16.716 1.00 0.00 WT3 O ATOM 40553 H1 TIP3 3600 54.081 84.799 15.762 1.00 0.00 WT3 H ATOM 40554 H2 TIP3 3600 54.976 85.028 16.960 1.00 0.00 WT3 H ATOM 40555 OH2 TIP3 3601 33.315 9.937 35.881 1.00 0.00 WT3 O ATOM 40556 H1 TIP3 3601 32.360 9.980 35.825 1.00 0.00 WT3 H ATOM 40557 H2 TIP3 3601 33.554 10.657 36.464 1.00 0.00 WT3 H ATOM 40558 OH2 TIP3 3603 84.037 67.790 7.848 1.00 0.00 WT3 O ATOM 40559 H1 TIP3 3603 84.784 67.704 7.255 1.00 0.00 WT3 H ATOM 40560 H2 TIP3 3603 84.221 67.172 8.556 1.00 0.00 WT3 H ATOM 40561 OH2 TIP3 3604 61.891 94.058 28.062 1.00 0.00 WT3 O ATOM 40562 H1 TIP3 3604 62.787 94.010 27.730 1.00 0.00 WT3 H ATOM 40563 H2 TIP3 3604 61.567 93.159 28.012 1.00 0.00 WT3 H ATOM 40564 OH2 TIP3 3607 51.983 96.249 -12.962 1.00 0.00 WT3 O ATOM 40565 H1 TIP3 3607 51.895 97.040 -13.494 1.00 0.00 WT3 H ATOM 40566 H2 TIP3 3607 51.267 95.684 -13.251 1.00 0.00 WT3 H ATOM 40567 OH2 TIP3 3608 63.441 85.813 42.097 1.00 0.00 WT3 O ATOM 40568 H1 TIP3 3608 63.776 84.918 42.049 1.00 0.00 WT3 H ATOM 40569 H2 TIP3 3608 63.970 86.232 42.776 1.00 0.00 WT3 H ATOM 40570 OH2 TIP3 3609 68.047 76.614 49.830 1.00 0.00 WT3 O ATOM 40571 H1 TIP3 3609 68.413 77.005 49.036 1.00 0.00 WT3 H ATOM 40572 H2 TIP3 3609 67.136 76.423 49.605 1.00 0.00 WT3 H ATOM 40573 OH2 TIP3 3610 43.468 75.115 27.176 1.00 0.00 WT3 O ATOM 40574 H1 TIP3 3610 44.240 75.281 26.635 1.00 0.00 WT3 H ATOM 40575 H2 TIP3 3610 43.807 74.657 27.945 1.00 0.00 WT3 H ATOM 40576 OH2 TIP3 3612 41.654 66.139 1.723 1.00 0.00 WT3 O ATOM 40577 H1 TIP3 3612 40.835 65.759 2.041 1.00 0.00 WT3 H ATOM 40578 H2 TIP3 3612 42.306 65.884 2.375 1.00 0.00 WT3 H ATOM 40579 OH2 TIP3 3613 83.309 73.289 65.294 1.00 0.00 WT3 O ATOM 40580 H1 TIP3 3613 82.448 73.475 65.669 1.00 0.00 WT3 H ATOM 40581 H2 TIP3 3613 83.416 72.344 65.396 1.00 0.00 WT3 H ATOM 40582 OH2 TIP3 3614 88.539 69.661 30.792 1.00 0.00 WT3 O ATOM 40583 H1 TIP3 3614 88.387 70.557 30.489 1.00 0.00 WT3 H ATOM 40584 H2 TIP3 3614 88.039 69.115 30.186 1.00 0.00 WT3 H ATOM 40585 OH2 TIP3 3615 74.415 92.609 -5.481 1.00 0.00 WT3 O ATOM 40586 H1 TIP3 3615 74.251 93.550 -5.408 1.00 0.00 WT3 H ATOM 40587 H2 TIP3 3615 74.670 92.481 -6.395 1.00 0.00 WT3 H ATOM 40588 OH2 TIP3 3616 58.354 69.525 29.036 1.00 0.00 WT3 O ATOM 40589 H1 TIP3 3616 58.140 68.688 28.624 1.00 0.00 WT3 H ATOM 40590 H2 TIP3 3616 57.514 69.859 29.352 1.00 0.00 WT3 H ATOM 40591 OH2 TIP3 3617 34.056 9.746 51.817 1.00 0.00 WT3 O ATOM 40592 H1 TIP3 3617 34.144 8.983 51.246 1.00 0.00 WT3 H ATOM 40593 H2 TIP3 3617 34.948 10.082 51.908 1.00 0.00 WT3 H ATOM 40594 OH2 TIP3 3618 40.619 11.791 -19.033 1.00 0.00 WT3 O ATOM 40595 H1 TIP3 3618 40.013 12.532 -19.028 1.00 0.00 WT3 H ATOM 40596 H2 TIP3 3618 40.362 11.276 -19.798 1.00 0.00 WT3 H ATOM 40597 OH2 TIP3 3619 84.213 81.579 54.024 1.00 0.00 WT3 O ATOM 40598 H1 TIP3 3619 84.464 82.442 53.695 1.00 0.00 WT3 H ATOM 40599 H2 TIP3 3619 84.634 81.518 54.882 1.00 0.00 WT3 H ATOM 40600 OH2 TIP3 3620 81.480 71.687 50.661 1.00 0.00 WT3 O ATOM 40601 H1 TIP3 3620 80.946 72.220 51.251 1.00 0.00 WT3 H ATOM 40602 H2 TIP3 3620 82.048 72.316 50.218 1.00 0.00 WT3 H ATOM 40603 OH2 TIP3 3621 80.592 88.918 21.123 1.00 0.00 WT3 O ATOM 40604 H1 TIP3 3621 79.921 89.589 20.999 1.00 0.00 WT3 H ATOM 40605 H2 TIP3 3621 80.942 89.085 21.998 1.00 0.00 WT3 H ATOM 40606 OH2 TIP3 3622 52.653 64.520 15.022 1.00 0.00 WT3 O ATOM 40607 H1 TIP3 3622 53.173 65.027 14.399 1.00 0.00 WT3 H ATOM 40608 H2 TIP3 3622 53.116 63.685 15.097 1.00 0.00 WT3 H ATOM 40609 OH2 TIP3 3623 73.060 32.090 -14.376 1.00 0.00 WT3 O ATOM 40610 H1 TIP3 3623 73.762 31.439 -14.381 1.00 0.00 WT3 H ATOM 40611 H2 TIP3 3623 73.514 32.932 -14.403 1.00 0.00 WT3 H ATOM 40612 OH2 TIP3 3624 54.027 70.054 4.169 1.00 0.00 WT3 O ATOM 40613 H1 TIP3 3624 53.627 69.545 4.874 1.00 0.00 WT3 H ATOM 40614 H2 TIP3 3624 54.969 69.987 4.330 1.00 0.00 WT3 H ATOM 40615 OH2 TIP3 3625 24.829 16.560 -6.762 1.00 0.00 WT3 O ATOM 40616 H1 TIP3 3625 23.984 17.006 -6.709 1.00 0.00 WT3 H ATOM 40617 H2 TIP3 3625 25.401 17.184 -7.210 1.00 0.00 WT3 H ATOM 40618 OH2 TIP3 3626 51.782 56.078 -5.511 1.00 0.00 WT3 O ATOM 40619 H1 TIP3 3626 50.985 56.334 -5.046 1.00 0.00 WT3 H ATOM 40620 H2 TIP3 3626 51.507 55.981 -6.422 1.00 0.00 WT3 H ATOM 40621 OH2 TIP3 3627 26.789 50.581 -3.890 1.00 0.00 WT3 O ATOM 40622 H1 TIP3 3627 26.658 51.090 -3.091 1.00 0.00 WT3 H ATOM 40623 H2 TIP3 3627 25.961 50.658 -4.363 1.00 0.00 WT3 H ATOM 40624 OH2 TIP3 3628 46.694 81.745 31.461 1.00 0.00 WT3 O ATOM 40625 H1 TIP3 3628 47.190 81.133 30.917 1.00 0.00 WT3 H ATOM 40626 H2 TIP3 3628 47.351 82.356 31.794 1.00 0.00 WT3 H ATOM 40627 OH2 TIP3 3629 72.557 75.560 -8.392 1.00 0.00 WT3 O ATOM 40628 H1 TIP3 3629 71.728 75.192 -8.084 1.00 0.00 WT3 H ATOM 40629 H2 TIP3 3629 73.225 74.968 -8.047 1.00 0.00 WT3 H ATOM 40630 OH2 TIP3 3630 40.986 12.160 29.425 1.00 0.00 WT3 O ATOM 40631 H1 TIP3 3630 40.508 12.976 29.570 1.00 0.00 WT3 H ATOM 40632 H2 TIP3 3630 41.894 12.371 29.645 1.00 0.00 WT3 H ATOM 40633 OH2 TIP3 3632 63.065 51.404 12.049 1.00 0.00 WT3 O ATOM 40634 H1 TIP3 3632 62.110 51.390 11.979 1.00 0.00 WT3 H ATOM 40635 H2 TIP3 3632 63.257 52.204 12.539 1.00 0.00 WT3 H ATOM 40636 OH2 TIP3 3633 81.006 30.851 7.716 1.00 0.00 WT3 O ATOM 40637 H1 TIP3 3633 80.585 31.253 6.957 1.00 0.00 WT3 H ATOM 40638 H2 TIP3 3633 80.301 30.383 8.163 1.00 0.00 WT3 H ATOM 40639 OH2 TIP3 3634 51.953 0.632 -5.006 1.00 0.00 WT3 O ATOM 40640 H1 TIP3 3634 52.279 0.482 -5.893 1.00 0.00 WT3 H ATOM 40641 H2 TIP3 3634 51.276 -0.033 -4.882 1.00 0.00 WT3 H ATOM 40642 OH2 TIP3 3635 33.976 63.520 43.193 1.00 0.00 WT3 O ATOM 40643 H1 TIP3 3635 34.489 64.300 43.400 1.00 0.00 WT3 H ATOM 40644 H2 TIP3 3635 34.607 62.914 42.804 1.00 0.00 WT3 H ATOM 40645 OH2 TIP3 3636 75.485 63.094 9.418 1.00 0.00 WT3 O ATOM 40646 H1 TIP3 3636 75.778 63.986 9.605 1.00 0.00 WT3 H ATOM 40647 H2 TIP3 3636 74.600 63.201 9.069 1.00 0.00 WT3 H ATOM 40648 OH2 TIP3 3637 60.378 25.049 2.274 1.00 0.00 WT3 O ATOM 40649 H1 TIP3 3637 61.244 25.221 1.904 1.00 0.00 WT3 H ATOM 40650 H2 TIP3 3637 59.989 25.916 2.386 1.00 0.00 WT3 H ATOM 40651 OH2 TIP3 3638 45.188 72.718 64.551 1.00 0.00 WT3 O ATOM 40652 H1 TIP3 3638 45.556 71.836 64.592 1.00 0.00 WT3 H ATOM 40653 H2 TIP3 3638 45.250 73.047 65.448 1.00 0.00 WT3 H ATOM 40654 OH2 TIP3 3639 79.275 20.023 63.593 1.00 0.00 WT3 O ATOM 40655 H1 TIP3 3639 79.228 19.123 63.915 1.00 0.00 WT3 H ATOM 40656 H2 TIP3 3639 79.520 19.935 62.671 1.00 0.00 WT3 H ATOM 40657 OH2 TIP3 3640 78.355 45.920 21.600 1.00 0.00 WT3 O ATOM 40658 H1 TIP3 3640 77.831 46.709 21.738 1.00 0.00 WT3 H ATOM 40659 H2 TIP3 3640 78.017 45.293 22.240 1.00 0.00 WT3 H ATOM 40660 OH2 TIP3 3641 76.443 61.951 53.218 1.00 0.00 WT3 O ATOM 40661 H1 TIP3 3641 75.859 61.202 53.096 1.00 0.00 WT3 H ATOM 40662 H2 TIP3 3641 76.156 62.347 54.041 1.00 0.00 WT3 H ATOM 40663 OH2 TIP3 3644 31.848 45.003 26.252 1.00 0.00 WT3 O ATOM 40664 H1 TIP3 3644 31.383 45.376 25.504 1.00 0.00 WT3 H ATOM 40665 H2 TIP3 3644 32.501 45.663 26.483 1.00 0.00 WT3 H ATOM 40666 OH2 TIP3 3645 40.207 72.335 61.539 1.00 0.00 WT3 O ATOM 40667 H1 TIP3 3645 40.658 71.775 62.170 1.00 0.00 WT3 H ATOM 40668 H2 TIP3 3645 39.295 72.340 61.831 1.00 0.00 WT3 H ATOM 40669 OH2 TIP3 3646 57.609 88.521 5.436 1.00 0.00 WT3 O ATOM 40670 H1 TIP3 3646 57.920 88.615 4.536 1.00 0.00 WT3 H ATOM 40671 H2 TIP3 3646 57.534 87.576 5.567 1.00 0.00 WT3 H ATOM 40672 OH2 TIP3 3647 62.340 69.874 48.978 1.00 0.00 WT3 O ATOM 40673 H1 TIP3 3647 62.569 70.122 49.874 1.00 0.00 WT3 H ATOM 40674 H2 TIP3 3647 62.171 68.933 49.026 1.00 0.00 WT3 H ATOM 40675 OH2 TIP3 3648 55.589 10.774 60.739 1.00 0.00 WT3 O ATOM 40676 H1 TIP3 3648 55.195 9.929 60.523 1.00 0.00 WT3 H ATOM 40677 H2 TIP3 3648 56.399 10.551 61.198 1.00 0.00 WT3 H ATOM 40678 OH2 TIP3 3649 56.980 84.807 42.230 1.00 0.00 WT3 O ATOM 40679 H1 TIP3 3649 56.324 84.211 41.867 1.00 0.00 WT3 H ATOM 40680 H2 TIP3 3649 57.777 84.615 41.736 1.00 0.00 WT3 H ATOM 40681 OH2 TIP3 3650 31.993 39.148 54.986 1.00 0.00 WT3 O ATOM 40682 H1 TIP3 3650 31.628 39.420 54.144 1.00 0.00 WT3 H ATOM 40683 H2 TIP3 3650 31.549 39.700 55.630 1.00 0.00 WT3 H ATOM 40684 OH2 TIP3 3651 57.920 32.147 60.311 1.00 0.00 WT3 O ATOM 40685 H1 TIP3 3651 57.234 31.589 59.945 1.00 0.00 WT3 H ATOM 40686 H2 TIP3 3651 57.712 33.025 59.989 1.00 0.00 WT3 H ATOM 40687 OH2 TIP3 3652 33.457 65.242 -9.200 1.00 0.00 WT3 O ATOM 40688 H1 TIP3 3652 33.625 65.741 -10.000 1.00 0.00 WT3 H ATOM 40689 H2 TIP3 3652 33.366 64.337 -9.497 1.00 0.00 WT3 H ATOM 40690 OH2 TIP3 3653 64.833 80.754 -3.187 1.00 0.00 WT3 O ATOM 40691 H1 TIP3 3653 64.904 80.142 -3.920 1.00 0.00 WT3 H ATOM 40692 H2 TIP3 3653 64.720 81.610 -3.599 1.00 0.00 WT3 H ATOM 40693 OH2 TIP3 3654 61.627 84.207 16.791 1.00 0.00 WT3 O ATOM 40694 H1 TIP3 3654 61.038 84.694 16.214 1.00 0.00 WT3 H ATOM 40695 H2 TIP3 3654 61.169 84.178 17.631 1.00 0.00 WT3 H ATOM 40696 OH2 TIP3 3655 48.777 93.238 31.458 1.00 0.00 WT3 O ATOM 40697 H1 TIP3 3655 48.090 92.652 31.778 1.00 0.00 WT3 H ATOM 40698 H2 TIP3 3655 49.135 92.791 30.692 1.00 0.00 WT3 H ATOM 40699 OH2 TIP3 3656 72.699 68.151 41.177 1.00 0.00 WT3 O ATOM 40700 H1 TIP3 3656 72.117 68.016 41.925 1.00 0.00 WT3 H ATOM 40701 H2 TIP3 3656 73.164 68.963 41.378 1.00 0.00 WT3 H ATOM 40702 OH2 TIP3 3657 61.599 5.336 -12.284 1.00 0.00 WT3 O ATOM 40703 H1 TIP3 3657 61.507 5.406 -11.334 1.00 0.00 WT3 H ATOM 40704 H2 TIP3 3657 62.534 5.468 -12.444 1.00 0.00 WT3 H ATOM 40705 OH2 TIP3 3658 35.317 92.867 -4.450 1.00 0.00 WT3 O ATOM 40706 H1 TIP3 3658 35.373 91.918 -4.560 1.00 0.00 WT3 H ATOM 40707 H2 TIP3 3658 35.479 93.011 -3.517 1.00 0.00 WT3 H ATOM 40708 OH2 TIP3 3660 41.904 33.734 10.471 1.00 0.00 WT3 O ATOM 40709 H1 TIP3 3660 42.531 34.293 10.930 1.00 0.00 WT3 H ATOM 40710 H2 TIP3 3660 41.105 33.789 10.995 1.00 0.00 WT3 H ATOM 40711 OH2 TIP3 3661 50.843 35.763 61.221 1.00 0.00 WT3 O ATOM 40712 H1 TIP3 3661 49.924 35.978 61.381 1.00 0.00 WT3 H ATOM 40713 H2 TIP3 3661 50.949 34.881 61.579 1.00 0.00 WT3 H ATOM 40714 OH2 TIP3 3662 65.706 20.959 65.954 1.00 0.00 WT3 O ATOM 40715 H1 TIP3 3662 65.998 21.823 66.246 1.00 0.00 WT3 H ATOM 40716 H2 TIP3 3662 65.769 20.995 65.000 1.00 0.00 WT3 H ATOM 40717 OH2 TIP3 3663 23.956 26.702 19.952 1.00 0.00 WT3 O ATOM 40718 H1 TIP3 3663 24.874 26.970 19.978 1.00 0.00 WT3 H ATOM 40719 H2 TIP3 3663 23.634 27.031 19.113 1.00 0.00 WT3 H ATOM 40720 OH2 TIP3 3665 87.951 70.150 56.952 1.00 0.00 WT3 O ATOM 40721 H1 TIP3 3665 88.892 70.116 57.127 1.00 0.00 WT3 H ATOM 40722 H2 TIP3 3665 87.831 69.597 56.180 1.00 0.00 WT3 H ATOM 40723 OH2 TIP3 3666 21.647 50.054 18.706 1.00 0.00 WT3 O ATOM 40724 H1 TIP3 3666 22.179 50.845 18.794 1.00 0.00 WT3 H ATOM 40725 H2 TIP3 3666 21.553 49.728 19.601 1.00 0.00 WT3 H ATOM 40726 OH2 TIP3 3667 46.670 20.483 42.159 1.00 0.00 WT3 O ATOM 40727 H1 TIP3 3667 46.057 21.089 41.743 1.00 0.00 WT3 H ATOM 40728 H2 TIP3 3667 46.274 19.620 42.037 1.00 0.00 WT3 H ATOM 40729 OH2 TIP3 3669 25.384 93.984 39.789 1.00 0.00 WT3 O ATOM 40730 H1 TIP3 3669 25.553 94.449 38.969 1.00 0.00 WT3 H ATOM 40731 H2 TIP3 3669 24.689 93.362 39.572 1.00 0.00 WT3 H ATOM 40732 OH2 TIP3 3670 83.208 5.583 63.696 1.00 0.00 WT3 O ATOM 40733 H1 TIP3 3670 83.848 6.127 63.237 1.00 0.00 WT3 H ATOM 40734 H2 TIP3 3670 83.550 4.692 63.617 1.00 0.00 WT3 H ATOM 40735 OH2 TIP3 3671 45.533 92.256 34.763 1.00 0.00 WT3 O ATOM 40736 H1 TIP3 3671 45.056 92.140 33.941 1.00 0.00 WT3 H ATOM 40737 H2 TIP3 3671 45.119 91.643 35.370 1.00 0.00 WT3 H ATOM 40738 OH2 TIP3 3672 41.308 44.087 66.232 1.00 0.00 WT3 O ATOM 40739 H1 TIP3 3672 41.873 43.553 66.792 1.00 0.00 WT3 H ATOM 40740 H2 TIP3 3672 41.894 44.426 65.555 1.00 0.00 WT3 H ATOM 40741 OH2 TIP3 3673 51.486 11.266 -17.031 1.00 0.00 WT3 O ATOM 40742 H1 TIP3 3673 51.584 10.376 -16.692 1.00 0.00 WT3 H ATOM 40743 H2 TIP3 3673 50.731 11.619 -16.561 1.00 0.00 WT3 H ATOM 40744 OH2 TIP3 3674 28.269 54.956 2.420 1.00 0.00 WT3 O ATOM 40745 H1 TIP3 3674 28.599 54.965 1.522 1.00 0.00 WT3 H ATOM 40746 H2 TIP3 3674 29.032 55.168 2.958 1.00 0.00 WT3 H ATOM 40747 OH2 TIP3 3675 69.241 11.283 43.852 1.00 0.00 WT3 O ATOM 40748 H1 TIP3 3675 68.311 11.068 43.933 1.00 0.00 WT3 H ATOM 40749 H2 TIP3 3675 69.695 10.523 44.216 1.00 0.00 WT3 H ATOM 40750 OH2 TIP3 3676 36.027 57.940 -6.300 1.00 0.00 WT3 O ATOM 40751 H1 TIP3 3676 35.871 57.119 -5.833 1.00 0.00 WT3 H ATOM 40752 H2 TIP3 3676 35.307 57.999 -6.928 1.00 0.00 WT3 H ATOM 40753 OH2 TIP3 3678 71.764 66.902 21.096 1.00 0.00 WT3 O ATOM 40754 H1 TIP3 3678 71.549 65.999 21.328 1.00 0.00 WT3 H ATOM 40755 H2 TIP3 3678 71.361 67.033 20.238 1.00 0.00 WT3 H ATOM 40756 OH2 TIP3 3680 57.212 55.033 55.783 1.00 0.00 WT3 O ATOM 40757 H1 TIP3 3680 57.150 54.740 54.874 1.00 0.00 WT3 H ATOM 40758 H2 TIP3 3680 56.748 55.870 55.797 1.00 0.00 WT3 H ATOM 40759 OH2 TIP3 3682 60.159 64.821 -15.561 1.00 0.00 WT3 O ATOM 40760 H1 TIP3 3682 59.323 64.632 -15.136 1.00 0.00 WT3 H ATOM 40761 H2 TIP3 3682 59.953 65.496 -16.208 1.00 0.00 WT3 H ATOM 40762 OH2 TIP3 3684 71.007 55.189 -0.232 1.00 0.00 WT3 O ATOM 40763 H1 TIP3 3684 71.237 55.475 0.652 1.00 0.00 WT3 H ATOM 40764 H2 TIP3 3684 70.052 55.249 -0.263 1.00 0.00 WT3 H ATOM 40765 OH2 TIP3 3685 27.918 19.277 17.718 1.00 0.00 WT3 O ATOM 40766 H1 TIP3 3685 28.547 18.585 17.513 1.00 0.00 WT3 H ATOM 40767 H2 TIP3 3685 27.151 19.069 17.184 1.00 0.00 WT3 H ATOM 40768 OH2 TIP3 3686 65.306 79.371 -5.536 1.00 0.00 WT3 O ATOM 40769 H1 TIP3 3686 65.895 78.623 -5.636 1.00 0.00 WT3 H ATOM 40770 H2 TIP3 3686 65.672 80.043 -6.111 1.00 0.00 WT3 H ATOM 40771 OH2 TIP3 3688 35.354 1.348 17.708 1.00 0.00 WT3 O ATOM 40772 H1 TIP3 3688 35.203 1.153 16.783 1.00 0.00 WT3 H ATOM 40773 H2 TIP3 3688 35.146 0.532 18.163 1.00 0.00 WT3 H ATOM 40774 OH2 TIP3 3689 28.226 86.513 9.683 1.00 0.00 WT3 O ATOM 40775 H1 TIP3 3689 28.403 85.966 8.918 1.00 0.00 WT3 H ATOM 40776 H2 TIP3 3689 28.090 85.891 10.398 1.00 0.00 WT3 H ATOM 40777 OH2 TIP3 3690 25.187 38.340 52.445 1.00 0.00 WT3 O ATOM 40778 H1 TIP3 3690 24.985 39.165 52.886 1.00 0.00 WT3 H ATOM 40779 H2 TIP3 3690 26.014 38.056 52.835 1.00 0.00 WT3 H ATOM 40780 OH2 TIP3 3691 77.834 46.387 35.122 1.00 0.00 WT3 O ATOM 40781 H1 TIP3 3691 76.903 46.169 35.154 1.00 0.00 WT3 H ATOM 40782 H2 TIP3 3691 77.989 46.898 35.916 1.00 0.00 WT3 H ATOM 40783 OH2 TIP3 3692 85.918 54.068 31.626 1.00 0.00 WT3 O ATOM 40784 H1 TIP3 3692 86.542 53.371 31.428 1.00 0.00 WT3 H ATOM 40785 H2 TIP3 3692 85.514 54.276 30.783 1.00 0.00 WT3 H ATOM 40786 OH2 TIP3 3693 83.617 1.493 34.848 1.00 0.00 WT3 O ATOM 40787 H1 TIP3 3693 83.805 1.029 35.663 1.00 0.00 WT3 H ATOM 40788 H2 TIP3 3693 82.665 1.588 34.839 1.00 0.00 WT3 H ATOM 40789 OH2 TIP3 3694 61.903 12.992 0.999 1.00 0.00 WT3 O ATOM 40790 H1 TIP3 3694 62.702 13.229 1.470 1.00 0.00 WT3 H ATOM 40791 H2 TIP3 3694 61.418 13.813 0.922 1.00 0.00 WT3 H ATOM 40792 OH2 TIP3 3695 74.828 36.695 64.265 1.00 0.00 WT3 O ATOM 40793 H1 TIP3 3695 73.958 36.305 64.185 1.00 0.00 WT3 H ATOM 40794 H2 TIP3 3695 74.821 37.426 63.646 1.00 0.00 WT3 H ATOM 40795 OH2 TIP3 3696 63.544 62.897 22.288 1.00 0.00 WT3 O ATOM 40796 H1 TIP3 3696 63.194 62.354 21.582 1.00 0.00 WT3 H ATOM 40797 H2 TIP3 3696 62.845 62.920 22.942 1.00 0.00 WT3 H ATOM 40798 OH2 TIP3 3697 27.237 11.540 34.183 1.00 0.00 WT3 O ATOM 40799 H1 TIP3 3697 27.201 12.488 34.310 1.00 0.00 WT3 H ATOM 40800 H2 TIP3 3697 27.046 11.174 35.046 1.00 0.00 WT3 H ATOM 40801 OH2 TIP3 3700 62.823 80.945 55.741 1.00 0.00 WT3 O ATOM 40802 H1 TIP3 3700 63.745 80.971 55.996 1.00 0.00 WT3 H ATOM 40803 H2 TIP3 3700 62.500 80.115 56.091 1.00 0.00 WT3 H ATOM 40804 OH2 TIP3 3701 47.561 29.038 -7.778 1.00 0.00 WT3 O ATOM 40805 H1 TIP3 3701 47.679 28.103 -7.610 1.00 0.00 WT3 H ATOM 40806 H2 TIP3 3701 46.748 29.262 -7.325 1.00 0.00 WT3 H ATOM 40807 OH2 TIP3 3703 37.142 58.022 50.326 1.00 0.00 WT3 O ATOM 40808 H1 TIP3 3703 37.792 57.330 50.199 1.00 0.00 WT3 H ATOM 40809 H2 TIP3 3703 37.380 58.695 49.688 1.00 0.00 WT3 H ATOM 40810 OH2 TIP3 3704 28.355 41.983 -0.845 1.00 0.00 WT3 O ATOM 40811 H1 TIP3 3704 27.426 42.204 -0.783 1.00 0.00 WT3 H ATOM 40812 H2 TIP3 3704 28.774 42.511 -0.165 1.00 0.00 WT3 H ATOM 40813 OH2 TIP3 3707 36.452 84.548 4.553 1.00 0.00 WT3 O ATOM 40814 H1 TIP3 3707 35.533 84.280 4.550 1.00 0.00 WT3 H ATOM 40815 H2 TIP3 3707 36.808 84.174 5.359 1.00 0.00 WT3 H ATOM 40816 OH2 TIP3 3708 82.686 53.795 22.255 1.00 0.00 WT3 O ATOM 40817 H1 TIP3 3708 82.885 54.171 23.112 1.00 0.00 WT3 H ATOM 40818 H2 TIP3 3708 82.404 54.541 21.726 1.00 0.00 WT3 H ATOM 40819 OH2 TIP3 3709 75.604 90.866 39.498 1.00 0.00 WT3 O ATOM 40820 H1 TIP3 3709 76.185 91.164 40.198 1.00 0.00 WT3 H ATOM 40821 H2 TIP3 3709 75.459 91.644 38.960 1.00 0.00 WT3 H ATOM 40822 OH2 TIP3 3710 74.019 83.624 38.264 1.00 0.00 WT3 O ATOM 40823 H1 TIP3 3710 74.827 83.158 38.052 1.00 0.00 WT3 H ATOM 40824 H2 TIP3 3710 73.322 83.064 37.923 1.00 0.00 WT3 H ATOM 40825 OH2 TIP3 3712 69.238 58.913 25.607 1.00 0.00 WT3 O ATOM 40826 H1 TIP3 3712 69.170 59.784 25.998 1.00 0.00 WT3 H ATOM 40827 H2 TIP3 3712 68.518 58.876 24.977 1.00 0.00 WT3 H ATOM 40828 OH2 TIP3 3715 64.489 71.722 32.017 1.00 0.00 WT3 O ATOM 40829 H1 TIP3 3715 63.932 70.973 31.808 1.00 0.00 WT3 H ATOM 40830 H2 TIP3 3715 65.138 71.376 32.629 1.00 0.00 WT3 H ATOM 40831 OH2 TIP3 3716 47.294 78.244 44.244 1.00 0.00 WT3 O ATOM 40832 H1 TIP3 3716 46.741 77.528 44.556 1.00 0.00 WT3 H ATOM 40833 H2 TIP3 3716 47.672 78.619 45.040 1.00 0.00 WT3 H ATOM 40834 OH2 TIP3 3717 90.476 4.506 40.514 1.00 0.00 WT3 O ATOM 40835 H1 TIP3 3717 90.490 4.394 41.464 1.00 0.00 WT3 H ATOM 40836 H2 TIP3 3717 90.861 5.370 40.368 1.00 0.00 WT3 H ATOM 40837 OH2 TIP3 3718 66.212 82.009 8.372 1.00 0.00 WT3 O ATOM 40838 H1 TIP3 3718 65.352 82.205 8.001 1.00 0.00 WT3 H ATOM 40839 H2 TIP3 3718 66.121 81.131 8.740 1.00 0.00 WT3 H ATOM 40840 OH2 TIP3 3720 50.780 57.281 62.176 1.00 0.00 WT3 O ATOM 40841 H1 TIP3 3720 51.039 57.340 61.256 1.00 0.00 WT3 H ATOM 40842 H2 TIP3 3720 50.614 56.349 62.319 1.00 0.00 WT3 H ATOM 40843 OH2 TIP3 3721 25.313 64.475 65.085 1.00 0.00 WT3 O ATOM 40844 H1 TIP3 3721 25.837 65.114 64.601 1.00 0.00 WT3 H ATOM 40845 H2 TIP3 3721 25.016 63.854 64.420 1.00 0.00 WT3 H ATOM 40846 OH2 TIP3 3722 35.651 82.268 54.495 1.00 0.00 WT3 O ATOM 40847 H1 TIP3 3722 36.369 81.803 54.067 1.00 0.00 WT3 H ATOM 40848 H2 TIP3 3722 35.057 82.501 53.781 1.00 0.00 WT3 H ATOM 40849 OH2 TIP3 3723 76.188 3.759 -12.465 1.00 0.00 WT3 O ATOM 40850 H1 TIP3 3723 75.687 3.141 -12.997 1.00 0.00 WT3 H ATOM 40851 H2 TIP3 3723 75.554 4.103 -11.836 1.00 0.00 WT3 H ATOM 40852 OH2 TIP3 3724 56.500 62.360 -12.576 1.00 0.00 WT3 O ATOM 40853 H1 TIP3 3724 56.074 62.842 -11.867 1.00 0.00 WT3 H ATOM 40854 H2 TIP3 3724 57.290 61.994 -12.177 1.00 0.00 WT3 H ATOM 40855 OH2 TIP3 3725 27.937 73.078 56.781 1.00 0.00 WT3 O ATOM 40856 H1 TIP3 3725 28.171 73.507 57.604 1.00 0.00 WT3 H ATOM 40857 H2 TIP3 3725 27.995 73.772 56.124 1.00 0.00 WT3 H ATOM 40858 OH2 TIP3 3726 33.145 15.159 16.816 1.00 0.00 WT3 O ATOM 40859 H1 TIP3 3726 32.330 15.446 16.404 1.00 0.00 WT3 H ATOM 40860 H2 TIP3 3726 33.190 15.657 17.632 1.00 0.00 WT3 H ATOM 40861 OH2 TIP3 3727 51.848 6.650 45.760 1.00 0.00 WT3 O ATOM 40862 H1 TIP3 3727 50.960 6.967 45.927 1.00 0.00 WT3 H ATOM 40863 H2 TIP3 3727 52.340 6.889 46.546 1.00 0.00 WT3 H ATOM 40864 OH2 TIP3 3728 59.154 21.530 28.580 1.00 0.00 WT3 O ATOM 40865 H1 TIP3 3728 58.247 21.710 28.330 1.00 0.00 WT3 H ATOM 40866 H2 TIP3 3728 59.630 22.326 28.343 1.00 0.00 WT3 H ATOM 40867 OH2 TIP3 3729 81.567 4.160 -17.125 1.00 0.00 WT3 O ATOM 40868 H1 TIP3 3729 82.201 4.876 -17.115 1.00 0.00 WT3 H ATOM 40869 H2 TIP3 3729 80.797 4.527 -17.559 1.00 0.00 WT3 H ATOM 40870 OH2 TIP3 3732 61.778 89.415 31.241 1.00 0.00 WT3 O ATOM 40871 H1 TIP3 3732 62.106 88.578 31.571 1.00 0.00 WT3 H ATOM 40872 H2 TIP3 3732 61.141 89.699 31.898 1.00 0.00 WT3 H ATOM 40873 OH2 TIP3 3733 26.521 36.705 36.799 1.00 0.00 WT3 O ATOM 40874 H1 TIP3 3733 26.698 37.495 36.289 1.00 0.00 WT3 H ATOM 40875 H2 TIP3 3733 25.707 36.359 36.432 1.00 0.00 WT3 H ATOM 40876 OH2 TIP3 3734 65.902 62.002 39.385 1.00 0.00 WT3 O ATOM 40877 H1 TIP3 3734 65.966 62.368 38.503 1.00 0.00 WT3 H ATOM 40878 H2 TIP3 3734 65.918 61.054 39.253 1.00 0.00 WT3 H ATOM 40879 OH2 TIP3 3736 79.367 83.720 57.246 1.00 0.00 WT3 O ATOM 40880 H1 TIP3 3736 79.415 84.423 56.598 1.00 0.00 WT3 H ATOM 40881 H2 TIP3 3736 78.681 83.139 56.919 1.00 0.00 WT3 H ATOM 40882 OH2 TIP3 3738 32.593 15.723 58.785 1.00 0.00 WT3 O ATOM 40883 H1 TIP3 3738 33.230 15.137 58.376 1.00 0.00 WT3 H ATOM 40884 H2 TIP3 3738 32.249 15.224 59.526 1.00 0.00 WT3 H ATOM 40885 OH2 TIP3 3740 82.834 57.681 9.291 1.00 0.00 WT3 O ATOM 40886 H1 TIP3 3740 83.703 58.062 9.416 1.00 0.00 WT3 H ATOM 40887 H2 TIP3 3740 82.875 56.836 9.740 1.00 0.00 WT3 H ATOM 40888 OH2 TIP3 3741 42.311 1.784 2.100 1.00 0.00 WT3 O ATOM 40889 H1 TIP3 3741 41.526 2.253 2.381 1.00 0.00 WT3 H ATOM 40890 H2 TIP3 3741 42.067 0.859 2.141 1.00 0.00 WT3 H ATOM 40891 OH2 TIP3 3742 57.604 58.545 59.879 1.00 0.00 WT3 O ATOM 40892 H1 TIP3 3742 58.353 57.951 59.836 1.00 0.00 WT3 H ATOM 40893 H2 TIP3 3742 56.842 57.967 59.927 1.00 0.00 WT3 H ATOM 40894 OH2 TIP3 3745 81.753 80.004 56.317 1.00 0.00 WT3 O ATOM 40895 H1 TIP3 3745 82.694 79.962 56.488 1.00 0.00 WT3 H ATOM 40896 H2 TIP3 3745 81.373 79.350 56.903 1.00 0.00 WT3 H ATOM 40897 OH2 TIP3 3750 24.110 27.547 43.945 1.00 0.00 WT3 O ATOM 40898 H1 TIP3 3750 25.022 27.257 43.937 1.00 0.00 WT3 H ATOM 40899 H2 TIP3 3750 23.617 26.780 44.237 1.00 0.00 WT3 H ATOM 40900 OH2 TIP3 3751 53.620 12.001 16.896 1.00 0.00 WT3 O ATOM 40901 H1 TIP3 3751 53.323 12.674 17.509 1.00 0.00 WT3 H ATOM 40902 H2 TIP3 3751 54.522 12.246 16.690 1.00 0.00 WT3 H ATOM 40903 OH2 TIP3 3753 38.381 80.747 12.800 1.00 0.00 WT3 O ATOM 40904 H1 TIP3 3753 39.000 81.044 12.133 1.00 0.00 WT3 H ATOM 40905 H2 TIP3 3753 38.925 80.549 13.562 1.00 0.00 WT3 H ATOM 40906 OH2 TIP3 3754 34.581 2.967 -12.727 1.00 0.00 WT3 O ATOM 40907 H1 TIP3 3754 34.664 2.503 -11.894 1.00 0.00 WT3 H ATOM 40908 H2 TIP3 3754 34.060 2.382 -13.277 1.00 0.00 WT3 H ATOM 40909 OH2 TIP3 3757 33.614 61.523 55.784 1.00 0.00 WT3 O ATOM 40910 H1 TIP3 3757 33.294 60.621 55.791 1.00 0.00 WT3 H ATOM 40911 H2 TIP3 3757 33.991 61.637 54.911 1.00 0.00 WT3 H ATOM 40912 OH2 TIP3 3759 47.004 53.205 -13.997 1.00 0.00 WT3 O ATOM 40913 H1 TIP3 3759 47.252 53.946 -13.445 1.00 0.00 WT3 H ATOM 40914 H2 TIP3 3759 46.540 53.600 -14.736 1.00 0.00 WT3 H ATOM 40915 OH2 TIP3 3775 79.578 18.339 56.070 1.00 0.00 WT3 O ATOM 40916 H1 TIP3 3775 78.809 17.821 55.831 1.00 0.00 WT3 H ATOM 40917 H2 TIP3 3775 79.934 18.640 55.234 1.00 0.00 WT3 H ATOM 40918 OH2 TIP3 3778 29.812 19.564 39.828 1.00 0.00 WT3 O ATOM 40919 H1 TIP3 3778 29.506 18.885 40.430 1.00 0.00 WT3 H ATOM 40920 H2 TIP3 3778 29.714 20.381 40.318 1.00 0.00 WT3 H ATOM 40921 OH2 TIP3 3787 46.386 76.358 28.384 1.00 0.00 WT3 O ATOM 40922 H1 TIP3 3787 46.547 75.537 27.920 1.00 0.00 WT3 H ATOM 40923 H2 TIP3 3787 46.579 76.158 29.300 1.00 0.00 WT3 H ATOM 40924 OH2 TIP3 3792 61.778 61.777 -8.594 1.00 0.00 WT3 O ATOM 40925 H1 TIP3 3792 60.957 62.205 -8.350 1.00 0.00 WT3 H ATOM 40926 H2 TIP3 3792 61.717 60.904 -8.208 1.00 0.00 WT3 H ATOM 40927 OH2 TIP3 3795 77.070 80.025 26.478 1.00 0.00 WT3 O ATOM 40928 H1 TIP3 3795 77.878 80.167 26.971 1.00 0.00 WT3 H ATOM 40929 H2 TIP3 3795 76.372 80.158 27.119 1.00 0.00 WT3 H ATOM 40930 OH2 TIP3 3803 60.464 92.183 -10.842 1.00 0.00 WT3 O ATOM 40931 H1 TIP3 3803 61.040 92.159 -10.078 1.00 0.00 WT3 H ATOM 40932 H2 TIP3 3803 59.614 92.450 -10.494 1.00 0.00 WT3 H ATOM 40933 OH2 TIP3 3821 81.470 72.481 9.430 1.00 0.00 WT3 O ATOM 40934 H1 TIP3 3821 82.232 71.921 9.281 1.00 0.00 WT3 H ATOM 40935 H2 TIP3 3821 80.737 71.994 9.053 1.00 0.00 WT3 H ATOM 40936 OH2 TIP3 3829 25.861 35.901 9.049 1.00 0.00 WT3 O ATOM 40937 H1 TIP3 3829 26.702 36.288 8.807 1.00 0.00 WT3 H ATOM 40938 H2 TIP3 3829 25.440 36.564 9.597 1.00 0.00 WT3 H ATOM 40939 OH2 TIP3 3834 77.859 21.275 9.287 1.00 0.00 WT3 O ATOM 40940 H1 TIP3 3834 77.562 20.388 9.088 1.00 0.00 WT3 H ATOM 40941 H2 TIP3 3834 77.783 21.346 10.239 1.00 0.00 WT3 H ATOM 40942 OH2 TIP3 3906 28.196 32.759 58.581 1.00 0.00 WT3 O ATOM 40943 H1 TIP3 3906 27.816 33.176 59.354 1.00 0.00 WT3 H ATOM 40944 H2 TIP3 3906 27.805 31.885 58.564 1.00 0.00 WT3 H ATOM 40945 OH2 TIP3 3924 60.867 71.855 56.038 1.00 0.00 WT3 O ATOM 40946 H1 TIP3 3924 59.985 71.686 56.370 1.00 0.00 WT3 H ATOM 40947 H2 TIP3 3924 61.241 70.986 55.897 1.00 0.00 WT3 H ATOM 40948 OH2 TIP3 3925 49.255 81.414 37.200 1.00 0.00 WT3 O ATOM 40949 H1 TIP3 3925 50.161 81.110 37.153 1.00 0.00 WT3 H ATOM 40950 H2 TIP3 3925 48.738 80.679 36.872 1.00 0.00 WT3 H ATOM 40951 OH2 TIP3 3931 64.223 28.237 -6.978 1.00 0.00 WT3 O ATOM 40952 H1 TIP3 3931 63.865 28.846 -6.333 1.00 0.00 WT3 H ATOM 40953 H2 TIP3 3931 64.327 28.761 -7.772 1.00 0.00 WT3 H ATOM 40954 OH2 TIP3 3933 55.901 92.095 7.913 1.00 0.00 WT3 O ATOM 40955 H1 TIP3 3933 56.166 92.998 7.740 1.00 0.00 WT3 H ATOM 40956 H2 TIP3 3933 55.275 92.162 8.634 1.00 0.00 WT3 H ATOM 40957 OH2 TIP3 3935 70.605 49.541 51.717 1.00 0.00 WT3 O ATOM 40958 H1 TIP3 3935 70.392 50.433 51.441 1.00 0.00 WT3 H ATOM 40959 H2 TIP3 3935 69.858 49.270 52.251 1.00 0.00 WT3 H ATOM 40960 OH2 TIP3 3951 28.845 15.663 53.022 1.00 0.00 WT3 O ATOM 40961 H1 TIP3 3951 28.972 15.693 52.074 1.00 0.00 WT3 H ATOM 40962 H2 TIP3 3951 28.174 14.993 53.153 1.00 0.00 WT3 H ATOM 40963 OH2 TIP3 3953 56.686 59.084 16.248 1.00 0.00 WT3 O ATOM 40964 H1 TIP3 3953 56.441 59.709 15.566 1.00 0.00 WT3 H ATOM 40965 H2 TIP3 3953 56.591 59.571 17.066 1.00 0.00 WT3 H ATOM 40966 OH2 TIP3 3973 26.774 82.347 -5.899 1.00 0.00 WT3 O ATOM 40967 H1 TIP3 3973 26.784 83.070 -5.272 1.00 0.00 WT3 H ATOM 40968 H2 TIP3 3973 25.847 82.131 -6.000 1.00 0.00 WT3 H ATOM 40969 OH2 TIP3 3974 34.080 81.167 3.784 1.00 0.00 WT3 O ATOM 40970 H1 TIP3 3974 34.071 80.354 4.289 1.00 0.00 WT3 H ATOM 40971 H2 TIP3 3974 34.205 80.885 2.878 1.00 0.00 WT3 H ATOM 40972 OH2 TIP3 3975 64.097 40.162 4.767 1.00 0.00 WT3 O ATOM 40973 H1 TIP3 3975 63.308 39.714 5.071 1.00 0.00 WT3 H ATOM 40974 H2 TIP3 3975 64.209 40.891 5.377 1.00 0.00 WT3 H ATOM 40975 OH2 TIP3 3976 36.794 35.769 -17.646 1.00 0.00 WT3 O ATOM 40976 H1 TIP3 3976 36.472 36.502 -18.171 1.00 0.00 WT3 H ATOM 40977 H2 TIP3 3976 37.640 35.549 -18.036 1.00 0.00 WT3 H ATOM 40978 OH2 TIP3 3977 54.269 10.771 43.737 1.00 0.00 WT3 O ATOM 40979 H1 TIP3 3977 54.436 11.407 44.433 1.00 0.00 WT3 H ATOM 40980 H2 TIP3 3977 54.590 9.941 44.089 1.00 0.00 WT3 H ATOM 40981 OH2 TIP3 3986 51.638 89.155 38.476 1.00 0.00 WT3 O ATOM 40982 H1 TIP3 3986 51.676 88.345 38.984 1.00 0.00 WT3 H ATOM 40983 H2 TIP3 3986 50.742 89.186 38.141 1.00 0.00 WT3 H ATOM 40984 OH2 TIP3 3991 53.098 86.502 1.792 1.00 0.00 WT3 O ATOM 40985 H1 TIP3 3991 52.931 85.803 1.159 1.00 0.00 WT3 H ATOM 40986 H2 TIP3 3991 52.620 86.233 2.577 1.00 0.00 WT3 H ATOM 40987 OH2 TIP3 3992 74.597 56.636 3.049 1.00 0.00 WT3 O ATOM 40988 H1 TIP3 3992 75.021 55.864 3.423 1.00 0.00 WT3 H ATOM 40989 H2 TIP3 3992 74.222 57.093 3.802 1.00 0.00 WT3 H ATOM 40990 OH2 TIP3 3993 77.197 53.537 50.731 1.00 0.00 WT3 O ATOM 40991 H1 TIP3 3993 76.438 53.162 50.285 1.00 0.00 WT3 H ATOM 40992 H2 TIP3 3993 76.832 53.977 51.498 1.00 0.00 WT3 H ATOM 40993 OH2 TIP3 3995 84.979 89.684 -10.137 1.00 0.00 WT3 O ATOM 40994 H1 TIP3 3995 84.304 89.993 -9.532 1.00 0.00 WT3 H ATOM 40995 H2 TIP3 3995 85.169 88.791 -9.848 1.00 0.00 WT3 H ATOM 40996 OH2 TIP3 3996 48.016 20.826 -13.919 1.00 0.00 WT3 O ATOM 40997 H1 TIP3 3996 47.909 21.484 -14.605 1.00 0.00 WT3 H ATOM 40998 H2 TIP3 3996 47.260 20.952 -13.345 1.00 0.00 WT3 H ATOM 40999 OH2 TIP3 3997 55.613 13.344 55.432 1.00 0.00 WT3 O ATOM 41000 H1 TIP3 3997 55.237 12.569 55.015 1.00 0.00 WT3 H ATOM 41001 H2 TIP3 3997 54.901 13.983 55.438 1.00 0.00 WT3 H ATOM 41002 OH2 TIP3 4000 61.054 13.844 -3.600 1.00 0.00 WT3 O ATOM 41003 H1 TIP3 4000 61.911 13.675 -3.209 1.00 0.00 WT3 H ATOM 41004 H2 TIP3 4000 60.427 13.541 -2.943 1.00 0.00 WT3 H ATOM 41005 OH2 TIP3 4001 32.879 50.811 2.007 1.00 0.00 WT3 O ATOM 41006 H1 TIP3 4001 33.657 51.360 1.906 1.00 0.00 WT3 H ATOM 41007 H2 TIP3 4001 33.205 49.915 1.921 1.00 0.00 WT3 H ATOM 41008 OH2 TIP3 4007 74.812 92.152 16.883 1.00 0.00 WT3 O ATOM 41009 H1 TIP3 4007 74.061 91.584 17.053 1.00 0.00 WT3 H ATOM 41010 H2 TIP3 4007 75.555 91.552 16.808 1.00 0.00 WT3 H ATOM 41011 OH2 TIP3 4009 88.706 52.949 37.746 1.00 0.00 WT3 O ATOM 41012 H1 TIP3 4009 87.878 52.631 37.386 1.00 0.00 WT3 H ATOM 41013 H2 TIP3 4009 88.813 52.465 38.565 1.00 0.00 WT3 H ATOM 41014 OH2 TIP3 4010 78.362 8.141 -17.049 1.00 0.00 WT3 O ATOM 41015 H1 TIP3 4010 78.630 8.040 -17.962 1.00 0.00 WT3 H ATOM 41016 H2 TIP3 4010 79.094 7.787 -16.544 1.00 0.00 WT3 H ATOM 41017 OH2 TIP3 4012 60.375 51.085 -1.236 1.00 0.00 WT3 O ATOM 41018 H1 TIP3 4012 60.143 50.282 -0.770 1.00 0.00 WT3 H ATOM 41019 H2 TIP3 4012 61.313 51.194 -1.076 1.00 0.00 WT3 H ATOM 41020 OH2 TIP3 4013 58.019 68.879 37.954 1.00 0.00 WT3 O ATOM 41021 H1 TIP3 4013 58.733 68.612 37.375 1.00 0.00 WT3 H ATOM 41022 H2 TIP3 4013 57.223 68.615 37.491 1.00 0.00 WT3 H ATOM 41023 OH2 TIP3 4014 84.433 55.391 61.509 1.00 0.00 WT3 O ATOM 41024 H1 TIP3 4014 83.557 55.776 61.497 1.00 0.00 WT3 H ATOM 41025 H2 TIP3 4014 84.664 55.347 62.437 1.00 0.00 WT3 H ATOM 41026 OH2 TIP3 4015 57.075 74.120 36.007 1.00 0.00 WT3 O ATOM 41027 H1 TIP3 4015 57.389 73.301 36.390 1.00 0.00 WT3 H ATOM 41028 H2 TIP3 4015 56.155 73.953 35.803 1.00 0.00 WT3 H ATOM 41029 OH2 TIP3 4016 82.857 76.102 -18.739 1.00 0.00 WT3 O ATOM 41030 H1 TIP3 4016 83.343 76.487 -18.010 1.00 0.00 WT3 H ATOM 41031 H2 TIP3 4016 82.285 76.806 -19.044 1.00 0.00 WT3 H ATOM 41032 OH2 TIP3 4017 40.208 2.065 -2.457 1.00 0.00 WT3 O ATOM 41033 H1 TIP3 4017 40.905 2.652 -2.162 1.00 0.00 WT3 H ATOM 41034 H2 TIP3 4017 40.023 1.512 -1.698 1.00 0.00 WT3 H ATOM 41035 OH2 TIP3 4018 55.981 78.023 2.964 1.00 0.00 WT3 O ATOM 41036 H1 TIP3 4018 56.171 77.104 3.152 1.00 0.00 WT3 H ATOM 41037 H2 TIP3 4018 56.804 78.373 2.623 1.00 0.00 WT3 H ATOM 41038 OH2 TIP3 4019 38.850 79.873 22.903 1.00 0.00 WT3 O ATOM 41039 H1 TIP3 4019 39.103 78.997 23.197 1.00 0.00 WT3 H ATOM 41040 H2 TIP3 4019 38.778 79.795 21.952 1.00 0.00 WT3 H ATOM 41041 OH2 TIP3 4020 76.925 69.650 62.138 1.00 0.00 WT3 O ATOM 41042 H1 TIP3 4020 77.487 68.877 62.092 1.00 0.00 WT3 H ATOM 41043 H2 TIP3 4020 76.265 69.429 62.794 1.00 0.00 WT3 H ATOM 41044 OH2 TIP3 4021 75.776 70.722 16.895 1.00 0.00 WT3 O ATOM 41045 H1 TIP3 4021 75.152 71.389 16.609 1.00 0.00 WT3 H ATOM 41046 H2 TIP3 4021 76.321 71.166 17.545 1.00 0.00 WT3 H ATOM 41047 OH2 TIP3 4022 65.624 43.003 2.063 1.00 0.00 WT3 O ATOM 41048 H1 TIP3 4022 66.134 43.789 2.258 1.00 0.00 WT3 H ATOM 41049 H2 TIP3 4022 64.712 43.292 2.106 1.00 0.00 WT3 H ATOM 41050 OH2 TIP3 4025 87.785 88.905 23.266 1.00 0.00 WT3 O ATOM 41051 H1 TIP3 4025 88.033 88.149 23.798 1.00 0.00 WT3 H ATOM 41052 H2 TIP3 4025 87.175 88.552 22.618 1.00 0.00 WT3 H ATOM 41053 OH2 TIP3 4026 75.579 59.218 26.692 1.00 0.00 WT3 O ATOM 41054 H1 TIP3 4026 74.656 59.311 26.458 1.00 0.00 WT3 H ATOM 41055 H2 TIP3 4026 76.052 59.409 25.882 1.00 0.00 WT3 H ATOM 41056 OH2 TIP3 4030 83.496 88.098 -19.374 1.00 0.00 WT3 O ATOM 41057 H1 TIP3 4030 83.089 88.850 -19.804 1.00 0.00 WT3 H ATOM 41058 H2 TIP3 4030 84.230 87.865 -19.942 1.00 0.00 WT3 H ATOM 41059 OH2 TIP3 4032 47.581 72.065 24.122 1.00 0.00 WT3 O ATOM 41060 H1 TIP3 4032 48.208 71.755 23.469 1.00 0.00 WT3 H ATOM 41061 H2 TIP3 4032 47.323 71.278 24.601 1.00 0.00 WT3 H ATOM 41062 OH2 TIP3 4035 26.433 33.383 8.110 1.00 0.00 WT3 O ATOM 41063 H1 TIP3 4035 26.279 34.298 8.343 1.00 0.00 WT3 H ATOM 41064 H2 TIP3 4035 25.877 32.886 8.710 1.00 0.00 WT3 H ATOM 41065 OH2 TIP3 4036 40.060 95.497 66.009 1.00 0.00 WT3 O ATOM 41066 H1 TIP3 4036 40.473 94.860 66.592 1.00 0.00 WT3 H ATOM 41067 H2 TIP3 4036 40.123 96.329 66.478 1.00 0.00 WT3 H ATOM 41068 OH2 TIP3 4037 66.248 64.577 -7.285 1.00 0.00 WT3 O ATOM 41069 H1 TIP3 4037 65.333 64.643 -7.012 1.00 0.00 WT3 H ATOM 41070 H2 TIP3 4037 66.658 65.373 -6.948 1.00 0.00 WT3 H ATOM 41071 OH2 TIP3 4039 82.766 27.001 52.468 1.00 0.00 WT3 O ATOM 41072 H1 TIP3 4039 82.860 27.690 51.810 1.00 0.00 WT3 H ATOM 41073 H2 TIP3 4039 83.547 26.458 52.360 1.00 0.00 WT3 H ATOM 41074 OH2 TIP3 4040 50.808 23.942 64.360 1.00 0.00 WT3 O ATOM 41075 H1 TIP3 4040 50.818 24.899 64.380 1.00 0.00 WT3 H ATOM 41076 H2 TIP3 4040 50.105 23.697 64.961 1.00 0.00 WT3 H ATOM 41077 OH2 TIP3 4043 35.149 91.882 -12.061 1.00 0.00 WT3 O ATOM 41078 H1 TIP3 4043 36.093 92.016 -12.146 1.00 0.00 WT3 H ATOM 41079 H2 TIP3 4043 34.972 92.006 -11.128 1.00 0.00 WT3 H ATOM 41080 OH2 TIP3 4044 59.333 21.688 35.201 1.00 0.00 WT3 O ATOM 41081 H1 TIP3 4044 59.907 21.271 34.559 1.00 0.00 WT3 H ATOM 41082 H2 TIP3 4044 58.742 22.230 34.679 1.00 0.00 WT3 H ATOM 41083 OH2 TIP3 4045 82.149 49.862 20.365 1.00 0.00 WT3 O ATOM 41084 H1 TIP3 4045 82.476 49.531 19.528 1.00 0.00 WT3 H ATOM 41085 H2 TIP3 4045 81.209 49.685 20.342 1.00 0.00 WT3 H ATOM 41086 OH2 TIP3 4047 41.163 23.753 36.768 1.00 0.00 WT3 O ATOM 41087 H1 TIP3 4047 41.495 23.729 35.870 1.00 0.00 WT3 H ATOM 41088 H2 TIP3 4047 40.535 24.476 36.772 1.00 0.00 WT3 H ATOM 41089 OH2 TIP3 4050 30.436 71.312 20.835 1.00 0.00 WT3 O ATOM 41090 H1 TIP3 4050 30.605 72.213 20.560 1.00 0.00 WT3 H ATOM 41091 H2 TIP3 4050 30.849 71.242 21.696 1.00 0.00 WT3 H ATOM 41092 OH2 TIP3 4052 42.649 71.983 26.316 1.00 0.00 WT3 O ATOM 41093 H1 TIP3 4052 43.018 71.196 26.717 1.00 0.00 WT3 H ATOM 41094 H2 TIP3 4052 43.388 72.389 25.862 1.00 0.00 WT3 H ATOM 41095 OH2 TIP3 4053 33.356 76.247 16.642 1.00 0.00 WT3 O ATOM 41096 H1 TIP3 4053 34.081 75.797 16.209 1.00 0.00 WT3 H ATOM 41097 H2 TIP3 4053 33.751 76.646 17.417 1.00 0.00 WT3 H ATOM 41098 OH2 TIP3 4054 78.796 88.698 24.562 1.00 0.00 WT3 O ATOM 41099 H1 TIP3 4054 79.150 89.483 24.980 1.00 0.00 WT3 H ATOM 41100 H2 TIP3 4054 79.563 88.245 24.212 1.00 0.00 WT3 H ATOM 41101 OH2 TIP3 4055 53.275 90.633 45.156 1.00 0.00 WT3 O ATOM 41102 H1 TIP3 4055 53.256 90.037 44.407 1.00 0.00 WT3 H ATOM 41103 H2 TIP3 4055 53.582 91.464 44.793 1.00 0.00 WT3 H ATOM 41104 OH2 TIP3 4056 87.216 87.789 28.083 1.00 0.00 WT3 O ATOM 41105 H1 TIP3 4056 86.578 88.424 27.759 1.00 0.00 WT3 H ATOM 41106 H2 TIP3 4056 86.694 87.025 28.324 1.00 0.00 WT3 H ATOM 41107 OH2 TIP3 4057 59.424 59.969 65.465 1.00 0.00 WT3 O ATOM 41108 H1 TIP3 4057 58.546 59.830 65.111 1.00 0.00 WT3 H ATOM 41109 H2 TIP3 4057 59.276 60.357 66.327 1.00 0.00 WT3 H ATOM 41110 OH2 TIP3 4059 63.698 85.443 17.803 1.00 0.00 WT3 O ATOM 41111 H1 TIP3 4059 64.080 84.912 18.502 1.00 0.00 WT3 H ATOM 41112 H2 TIP3 4059 63.136 84.837 17.321 1.00 0.00 WT3 H ATOM 41113 OH2 TIP3 4060 58.117 84.228 23.295 1.00 0.00 WT3 O ATOM 41114 H1 TIP3 4060 58.110 83.339 23.650 1.00 0.00 WT3 H ATOM 41115 H2 TIP3 4060 57.671 84.755 23.959 1.00 0.00 WT3 H ATOM 41116 OH2 TIP3 4061 62.755 72.979 37.178 1.00 0.00 WT3 O ATOM 41117 H1 TIP3 4061 62.230 72.274 36.799 1.00 0.00 WT3 H ATOM 41118 H2 TIP3 4061 62.441 73.772 36.744 1.00 0.00 WT3 H ATOM 41119 OH2 TIP3 4063 46.191 17.266 43.769 1.00 0.00 WT3 O ATOM 41120 H1 TIP3 4063 46.706 17.235 44.576 1.00 0.00 WT3 H ATOM 41121 H2 TIP3 4063 45.484 16.637 43.911 1.00 0.00 WT3 H ATOM 41122 OH2 TIP3 4064 68.153 11.752 4.192 1.00 0.00 WT3 O ATOM 41123 H1 TIP3 4064 67.245 11.767 4.494 1.00 0.00 WT3 H ATOM 41124 H2 TIP3 4064 68.535 12.558 4.540 1.00 0.00 WT3 H ATOM 41125 OH2 TIP3 4065 21.254 3.135 48.563 1.00 0.00 WT3 O ATOM 41126 H1 TIP3 4065 21.710 2.360 48.235 1.00 0.00 WT3 H ATOM 41127 H2 TIP3 4065 20.330 2.968 48.374 1.00 0.00 WT3 H ATOM 41128 OH2 TIP3 4066 58.607 87.352 -18.809 1.00 0.00 WT3 O ATOM 41129 H1 TIP3 4066 58.909 86.699 -18.178 1.00 0.00 WT3 H ATOM 41130 H2 TIP3 4066 59.117 87.177 -19.599 1.00 0.00 WT3 H ATOM 41131 OH2 TIP3 4067 78.148 61.434 -18.327 1.00 0.00 WT3 O ATOM 41132 H1 TIP3 4067 78.984 61.224 -17.910 1.00 0.00 WT3 H ATOM 41133 H2 TIP3 4067 77.635 61.855 -17.637 1.00 0.00 WT3 H ATOM 41134 OH2 TIP3 4068 54.037 8.207 -7.944 1.00 0.00 WT3 O ATOM 41135 H1 TIP3 4068 53.458 8.901 -8.260 1.00 0.00 WT3 H ATOM 41136 H2 TIP3 4068 54.452 7.862 -8.734 1.00 0.00 WT3 H ATOM 41137 OH2 TIP3 4069 54.366 66.481 40.726 1.00 0.00 WT3 O ATOM 41138 H1 TIP3 4069 54.295 65.805 40.052 1.00 0.00 WT3 H ATOM 41139 H2 TIP3 4069 55.007 66.134 41.347 1.00 0.00 WT3 H ATOM 41140 OH2 TIP3 4072 78.194 75.317 66.045 1.00 0.00 WT3 O ATOM 41141 H1 TIP3 4072 78.294 76.266 65.964 1.00 0.00 WT3 H ATOM 41142 H2 TIP3 4072 78.256 74.992 65.147 1.00 0.00 WT3 H ATOM 41143 OH2 TIP3 4073 71.193 64.934 9.848 1.00 0.00 WT3 O ATOM 41144 H1 TIP3 4073 70.733 64.097 9.775 1.00 0.00 WT3 H ATOM 41145 H2 TIP3 4073 71.667 64.876 10.677 1.00 0.00 WT3 H ATOM 41146 OH2 TIP3 4074 82.501 88.751 0.646 1.00 0.00 WT3 O ATOM 41147 H1 TIP3 4074 82.676 87.990 1.200 1.00 0.00 WT3 H ATOM 41148 H2 TIP3 4074 83.249 88.790 0.050 1.00 0.00 WT3 H ATOM 41149 OH2 TIP3 4075 38.988 94.574 39.982 1.00 0.00 WT3 O ATOM 41150 H1 TIP3 4075 38.118 94.651 39.591 1.00 0.00 WT3 H ATOM 41151 H2 TIP3 4075 39.179 95.449 40.319 1.00 0.00 WT3 H ATOM 41152 OH2 TIP3 4076 77.640 41.392 -5.942 1.00 0.00 WT3 O ATOM 41153 H1 TIP3 4076 77.404 41.109 -6.825 1.00 0.00 WT3 H ATOM 41154 H2 TIP3 4076 77.111 42.176 -5.792 1.00 0.00 WT3 H ATOM 41155 OH2 TIP3 4077 27.390 69.299 7.784 1.00 0.00 WT3 O ATOM 41156 H1 TIP3 4077 28.115 69.549 8.358 1.00 0.00 WT3 H ATOM 41157 H2 TIP3 4077 26.786 70.041 7.824 1.00 0.00 WT3 H ATOM 41158 OH2 TIP3 4078 50.382 60.406 59.630 1.00 0.00 WT3 O ATOM 41159 H1 TIP3 4078 49.672 60.273 59.002 1.00 0.00 WT3 H ATOM 41160 H2 TIP3 4078 49.981 60.897 60.347 1.00 0.00 WT3 H ATOM 41161 OH2 TIP3 4079 23.276 34.700 44.864 1.00 0.00 WT3 O ATOM 41162 H1 TIP3 4079 22.403 34.579 44.490 1.00 0.00 WT3 H ATOM 41163 H2 TIP3 4079 23.114 34.998 45.759 1.00 0.00 WT3 H ATOM 41164 OH2 TIP3 4080 58.463 18.023 31.295 1.00 0.00 WT3 O ATOM 41165 H1 TIP3 4080 59.332 18.151 31.676 1.00 0.00 WT3 H ATOM 41166 H2 TIP3 4080 58.541 18.359 30.401 1.00 0.00 WT3 H ATOM 41167 OH2 TIP3 4081 86.085 58.164 32.127 1.00 0.00 WT3 O ATOM 41168 H1 TIP3 4081 85.890 57.974 33.045 1.00 0.00 WT3 H ATOM 41169 H2 TIP3 4081 85.278 58.548 31.785 1.00 0.00 WT3 H ATOM 41170 OH2 TIP3 4083 47.720 93.363 65.732 1.00 0.00 WT3 O ATOM 41171 H1 TIP3 4083 48.508 93.592 66.225 1.00 0.00 WT3 H ATOM 41172 H2 TIP3 4083 46.996 93.599 66.313 1.00 0.00 WT3 H ATOM 41173 OH2 TIP3 4085 36.168 62.747 24.043 1.00 0.00 WT3 O ATOM 41174 H1 TIP3 4085 37.033 62.591 24.422 1.00 0.00 WT3 H ATOM 41175 H2 TIP3 4085 35.570 62.241 24.594 1.00 0.00 WT3 H ATOM 41176 OH2 TIP3 4086 32.556 65.495 -3.108 1.00 0.00 WT3 O ATOM 41177 H1 TIP3 4086 33.018 66.142 -3.642 1.00 0.00 WT3 H ATOM 41178 H2 TIP3 4086 31.644 65.785 -3.115 1.00 0.00 WT3 H ATOM 41179 OH2 TIP3 4087 49.086 80.709 34.101 1.00 0.00 WT3 O ATOM 41180 H1 TIP3 4087 49.933 80.265 34.068 1.00 0.00 WT3 H ATOM 41181 H2 TIP3 4087 48.450 80.029 33.878 1.00 0.00 WT3 H ATOM 41182 OH2 TIP3 4089 46.626 2.862 17.333 1.00 0.00 WT3 O ATOM 41183 H1 TIP3 4089 45.706 3.064 17.505 1.00 0.00 WT3 H ATOM 41184 H2 TIP3 4089 46.618 2.415 16.486 1.00 0.00 WT3 H ATOM 41185 OH2 TIP3 4091 89.477 67.693 35.721 1.00 0.00 WT3 O ATOM 41186 H1 TIP3 4091 89.302 68.515 35.264 1.00 0.00 WT3 H ATOM 41187 H2 TIP3 4091 89.200 67.013 35.107 1.00 0.00 WT3 H ATOM 41188 OH2 TIP3 4092 83.608 49.641 35.866 1.00 0.00 WT3 O ATOM 41189 H1 TIP3 4092 82.744 49.985 35.638 1.00 0.00 WT3 H ATOM 41190 H2 TIP3 4092 83.853 49.093 35.120 1.00 0.00 WT3 H ATOM 41191 OH2 TIP3 4093 41.256 89.366 51.091 1.00 0.00 WT3 O ATOM 41192 H1 TIP3 4093 42.096 88.911 51.158 1.00 0.00 WT3 H ATOM 41193 H2 TIP3 4093 40.662 88.719 50.712 1.00 0.00 WT3 H ATOM 41194 OH2 TIP3 4096 46.128 1.443 12.280 1.00 0.00 WT3 O ATOM 41195 H1 TIP3 4096 46.051 1.477 13.233 1.00 0.00 WT3 H ATOM 41196 H2 TIP3 4096 45.231 1.310 11.971 1.00 0.00 WT3 H ATOM 41197 OH2 TIP3 4097 31.008 8.351 -18.731 1.00 0.00 WT3 O ATOM 41198 H1 TIP3 4097 30.831 7.459 -19.029 1.00 0.00 WT3 H ATOM 41199 H2 TIP3 4097 30.256 8.576 -18.183 1.00 0.00 WT3 H ATOM 41200 OH2 TIP3 4098 42.320 72.421 54.411 1.00 0.00 WT3 O ATOM 41201 H1 TIP3 4098 42.854 71.946 53.774 1.00 0.00 WT3 H ATOM 41202 H2 TIP3 4098 41.462 71.999 54.367 1.00 0.00 WT3 H ATOM 41203 OH2 TIP3 4099 51.077 84.435 29.872 1.00 0.00 WT3 O ATOM 41204 H1 TIP3 4099 51.319 83.697 29.312 1.00 0.00 WT3 H ATOM 41205 H2 TIP3 4099 50.201 84.218 30.190 1.00 0.00 WT3 H ATOM 41206 OH2 TIP3 4101 51.187 67.184 57.727 1.00 0.00 WT3 O ATOM 41207 H1 TIP3 4101 52.009 67.635 57.532 1.00 0.00 WT3 H ATOM 41208 H2 TIP3 4101 51.157 66.460 57.102 1.00 0.00 WT3 H ATOM 41209 OH2 TIP3 4102 53.760 16.031 41.706 1.00 0.00 WT3 O ATOM 41210 H1 TIP3 4102 52.803 16.003 41.717 1.00 0.00 WT3 H ATOM 41211 H2 TIP3 4102 53.987 16.135 40.782 1.00 0.00 WT3 H ATOM 41212 OH2 TIP3 4103 26.185 80.938 49.406 1.00 0.00 WT3 O ATOM 41213 H1 TIP3 4103 27.118 81.123 49.518 1.00 0.00 WT3 H ATOM 41214 H2 TIP3 4103 26.050 80.105 49.856 1.00 0.00 WT3 H ATOM 41215 OH2 TIP3 4104 74.813 42.341 27.865 1.00 0.00 WT3 O ATOM 41216 H1 TIP3 4104 73.886 42.135 27.992 1.00 0.00 WT3 H ATOM 41217 H2 TIP3 4104 74.854 43.297 27.908 1.00 0.00 WT3 H ATOM 41218 OH2 TIP3 4105 62.108 95.142 49.919 1.00 0.00 WT3 O ATOM 41219 H1 TIP3 4105 61.223 94.778 49.918 1.00 0.00 WT3 H ATOM 41220 H2 TIP3 4105 62.030 95.960 50.410 1.00 0.00 WT3 H ATOM 41221 OH2 TIP3 4108 26.568 27.830 51.539 1.00 0.00 WT3 O ATOM 41222 H1 TIP3 4108 26.551 26.889 51.366 1.00 0.00 WT3 H ATOM 41223 H2 TIP3 4108 25.684 28.129 51.326 1.00 0.00 WT3 H ATOM 41224 OH2 TIP3 4109 59.616 19.862 -0.832 1.00 0.00 WT3 O ATOM 41225 H1 TIP3 4109 59.072 20.641 -0.954 1.00 0.00 WT3 H ATOM 41226 H2 TIP3 4109 60.168 19.831 -1.614 1.00 0.00 WT3 H ATOM 41227 OH2 TIP3 4110 63.052 14.212 26.253 1.00 0.00 WT3 O ATOM 41228 H1 TIP3 4110 63.062 15.089 26.636 1.00 0.00 WT3 H ATOM 41229 H2 TIP3 4110 63.871 14.156 25.760 1.00 0.00 WT3 H ATOM 41230 OH2 TIP3 4111 68.624 85.444 61.319 1.00 0.00 WT3 O ATOM 41231 H1 TIP3 4111 68.895 86.253 61.753 1.00 0.00 WT3 H ATOM 41232 H2 TIP3 4111 68.196 85.735 60.514 1.00 0.00 WT3 H ATOM 41233 OH2 TIP3 4112 77.089 79.941 53.939 1.00 0.00 WT3 O ATOM 41234 H1 TIP3 4112 77.848 80.503 53.783 1.00 0.00 WT3 H ATOM 41235 H2 TIP3 4112 77.288 79.491 54.760 1.00 0.00 WT3 H ATOM 41236 OH2 TIP3 4113 32.639 77.253 54.565 1.00 0.00 WT3 O ATOM 41237 H1 TIP3 4113 33.349 77.708 55.019 1.00 0.00 WT3 H ATOM 41238 H2 TIP3 4113 33.072 76.783 53.853 1.00 0.00 WT3 H ATOM 41239 OH2 TIP3 4114 56.360 -0.059 14.321 1.00 0.00 WT3 O ATOM 41240 H1 TIP3 4114 56.862 0.743 14.175 1.00 0.00 WT3 H ATOM 41241 H2 TIP3 4114 55.682 0.194 14.949 1.00 0.00 WT3 H ATOM 41242 OH2 TIP3 4115 21.670 60.013 37.007 1.00 0.00 WT3 O ATOM 41243 H1 TIP3 4115 21.202 60.503 37.684 1.00 0.00 WT3 H ATOM 41244 H2 TIP3 4115 22.476 60.510 36.866 1.00 0.00 WT3 H ATOM 41245 OH2 TIP3 4116 54.866 29.568 2.474 1.00 0.00 WT3 O ATOM 41246 H1 TIP3 4116 54.734 30.095 3.262 1.00 0.00 WT3 H ATOM 41247 H2 TIP3 4116 54.267 29.945 1.829 1.00 0.00 WT3 H ATOM 41248 OH2 TIP3 4117 87.752 66.177 8.669 1.00 0.00 WT3 O ATOM 41249 H1 TIP3 4117 86.820 66.184 8.452 1.00 0.00 WT3 H ATOM 41250 H2 TIP3 4117 87.936 65.268 8.907 1.00 0.00 WT3 H ATOM 41251 OH2 TIP3 4118 68.764 61.109 22.924 1.00 0.00 WT3 O ATOM 41252 H1 TIP3 4118 68.306 61.948 22.979 1.00 0.00 WT3 H ATOM 41253 H2 TIP3 4118 68.225 60.507 23.437 1.00 0.00 WT3 H ATOM 41254 OH2 TIP3 4120 51.594 69.447 44.151 1.00 0.00 WT3 O ATOM 41255 H1 TIP3 4120 50.682 69.626 43.921 1.00 0.00 WT3 H ATOM 41256 H2 TIP3 4120 51.989 69.130 43.339 1.00 0.00 WT3 H ATOM 41257 OH2 TIP3 4121 54.054 58.004 58.157 1.00 0.00 WT3 O ATOM 41258 H1 TIP3 4121 54.577 57.817 57.377 1.00 0.00 WT3 H ATOM 41259 H2 TIP3 4121 54.528 57.579 58.871 1.00 0.00 WT3 H ATOM 41260 OH2 TIP3 4122 72.027 34.358 -17.851 1.00 0.00 WT3 O ATOM 41261 H1 TIP3 4122 71.845 33.629 -18.444 1.00 0.00 WT3 H ATOM 41262 H2 TIP3 4122 71.538 34.148 -17.055 1.00 0.00 WT3 H ATOM 41263 OH2 TIP3 4123 36.956 33.402 -1.824 1.00 0.00 WT3 O ATOM 41264 H1 TIP3 4123 36.086 33.798 -1.884 1.00 0.00 WT3 H ATOM 41265 H2 TIP3 4123 37.554 34.146 -1.756 1.00 0.00 WT3 H ATOM 41266 OH2 TIP3 4124 81.338 76.212 46.002 1.00 0.00 WT3 O ATOM 41267 H1 TIP3 4124 81.964 76.916 46.172 1.00 0.00 WT3 H ATOM 41268 H2 TIP3 4124 81.064 75.919 46.872 1.00 0.00 WT3 H ATOM 41269 OH2 TIP3 4127 43.908 74.724 32.858 1.00 0.00 WT3 O ATOM 41270 H1 TIP3 4127 43.561 73.903 33.205 1.00 0.00 WT3 H ATOM 41271 H2 TIP3 4127 44.834 74.714 33.100 1.00 0.00 WT3 H ATOM 41272 OH2 TIP3 4128 42.621 64.835 54.258 1.00 0.00 WT3 O ATOM 41273 H1 TIP3 4128 42.867 64.002 54.661 1.00 0.00 WT3 H ATOM 41274 H2 TIP3 4128 43.322 65.438 54.504 1.00 0.00 WT3 H ATOM 41275 OH2 TIP3 4129 35.169 96.497 22.290 1.00 0.00 WT3 O ATOM 41276 H1 TIP3 4129 34.861 95.783 21.732 1.00 0.00 WT3 H ATOM 41277 H2 TIP3 4129 34.497 96.580 22.966 1.00 0.00 WT3 H ATOM 41278 OH2 TIP3 4130 51.571 19.455 48.807 1.00 0.00 WT3 O ATOM 41279 H1 TIP3 4130 50.880 19.860 49.331 1.00 0.00 WT3 H ATOM 41280 H2 TIP3 4130 51.409 18.515 48.880 1.00 0.00 WT3 H ATOM 41281 OH2 TIP3 4131 82.287 77.745 4.675 1.00 0.00 WT3 O ATOM 41282 H1 TIP3 4131 82.730 77.995 5.485 1.00 0.00 WT3 H ATOM 41283 H2 TIP3 4131 82.894 77.144 4.244 1.00 0.00 WT3 H ATOM 41284 OH2 TIP3 4132 27.666 52.017 32.389 1.00 0.00 WT3 O ATOM 41285 H1 TIP3 4132 26.958 51.380 32.487 1.00 0.00 WT3 H ATOM 41286 H2 TIP3 4132 27.828 52.052 31.446 1.00 0.00 WT3 H ATOM 41287 OH2 TIP3 4134 64.357 81.094 12.581 1.00 0.00 WT3 O ATOM 41288 H1 TIP3 4134 64.044 80.190 12.551 1.00 0.00 WT3 H ATOM 41289 H2 TIP3 4134 64.794 81.169 13.429 1.00 0.00 WT3 H ATOM 41290 OH2 TIP3 4136 39.878 3.130 -10.619 1.00 0.00 WT3 O ATOM 41291 H1 TIP3 4136 40.104 2.751 -9.770 1.00 0.00 WT3 H ATOM 41292 H2 TIP3 4136 39.054 3.591 -10.465 1.00 0.00 WT3 H ATOM 41293 OH2 TIP3 4137 49.399 70.222 43.207 1.00 0.00 WT3 O ATOM 41294 H1 TIP3 4137 49.355 70.917 42.549 1.00 0.00 WT3 H ATOM 41295 H2 TIP3 4137 48.870 69.513 42.843 1.00 0.00 WT3 H ATOM 41296 OH2 TIP3 4138 23.671 62.351 66.175 1.00 0.00 WT3 O ATOM 41297 H1 TIP3 4138 23.443 62.132 67.079 1.00 0.00 WT3 H ATOM 41298 H2 TIP3 4138 24.208 63.140 66.249 1.00 0.00 WT3 H ATOM 41299 OH2 TIP3 4139 78.274 3.085 7.664 1.00 0.00 WT3 O ATOM 41300 H1 TIP3 4139 79.167 3.202 7.339 1.00 0.00 WT3 H ATOM 41301 H2 TIP3 4139 78.255 2.188 7.998 1.00 0.00 WT3 H ATOM 41302 OH2 TIP3 4141 36.003 52.963 -15.529 1.00 0.00 WT3 O ATOM 41303 H1 TIP3 4141 36.713 52.993 -16.170 1.00 0.00 WT3 H ATOM 41304 H2 TIP3 4141 36.426 52.687 -14.715 1.00 0.00 WT3 H ATOM 41305 OH2 TIP3 4142 42.529 85.385 14.820 1.00 0.00 WT3 O ATOM 41306 H1 TIP3 4142 42.477 85.844 13.981 1.00 0.00 WT3 H ATOM 41307 H2 TIP3 4142 42.802 84.497 14.592 1.00 0.00 WT3 H ATOM 41308 OH2 TIP3 4143 63.267 64.561 -3.221 1.00 0.00 WT3 O ATOM 41309 H1 TIP3 4143 62.527 64.008 -2.967 1.00 0.00 WT3 H ATOM 41310 H2 TIP3 4143 64.026 64.153 -2.805 1.00 0.00 WT3 H ATOM 41311 OH2 TIP3 4144 57.088 60.474 18.464 1.00 0.00 WT3 O ATOM 41312 H1 TIP3 4144 57.626 61.227 18.219 1.00 0.00 WT3 H ATOM 41313 H2 TIP3 4144 56.524 60.801 19.165 1.00 0.00 WT3 H ATOM 41314 OH2 TIP3 4145 32.025 92.039 27.233 1.00 0.00 WT3 O ATOM 41315 H1 TIP3 4145 32.584 92.701 27.640 1.00 0.00 WT3 H ATOM 41316 H2 TIP3 4145 32.475 91.813 26.419 1.00 0.00 WT3 H ATOM 41317 OH2 TIP3 4146 35.312 89.842 16.112 1.00 0.00 WT3 O ATOM 41318 H1 TIP3 4146 35.906 89.856 16.862 1.00 0.00 WT3 H ATOM 41319 H2 TIP3 4146 34.845 90.676 16.160 1.00 0.00 WT3 H ATOM 41320 OH2 TIP3 4151 90.274 84.461 37.906 1.00 0.00 WT3 O ATOM 41321 H1 TIP3 4151 89.685 85.205 38.029 1.00 0.00 WT3 H ATOM 41322 H2 TIP3 4151 89.897 83.974 37.173 1.00 0.00 WT3 H ATOM 41323 OH2 TIP3 4152 77.484 51.217 10.081 1.00 0.00 WT3 O ATOM 41324 H1 TIP3 4152 76.680 51.549 9.680 1.00 0.00 WT3 H ATOM 41325 H2 TIP3 4152 77.421 50.266 9.995 1.00 0.00 WT3 H ATOM 41326 OH2 TIP3 4154 71.103 87.994 26.767 1.00 0.00 WT3 O ATOM 41327 H1 TIP3 4154 71.454 88.485 26.025 1.00 0.00 WT3 H ATOM 41328 H2 TIP3 4154 71.715 88.167 27.482 1.00 0.00 WT3 H ATOM 41329 OH2 TIP3 4155 61.666 63.608 -17.288 1.00 0.00 WT3 O ATOM 41330 H1 TIP3 4155 61.182 62.806 -17.091 1.00 0.00 WT3 H ATOM 41331 H2 TIP3 4155 61.535 64.163 -16.520 1.00 0.00 WT3 H ATOM 41332 OH2 TIP3 4156 34.228 85.015 36.856 1.00 0.00 WT3 O ATOM 41333 H1 TIP3 4156 33.665 85.010 36.082 1.00 0.00 WT3 H ATOM 41334 H2 TIP3 4156 33.636 84.833 37.585 1.00 0.00 WT3 H ATOM 41335 OH2 TIP3 4157 68.815 34.711 -4.935 1.00 0.00 WT3 O ATOM 41336 H1 TIP3 4157 68.300 33.904 -4.945 1.00 0.00 WT3 H ATOM 41337 H2 TIP3 4157 68.524 35.171 -4.148 1.00 0.00 WT3 H ATOM 41338 OH2 TIP3 4160 22.610 10.367 62.108 1.00 0.00 WT3 O ATOM 41339 H1 TIP3 4160 22.562 10.071 61.199 1.00 0.00 WT3 H ATOM 41340 H2 TIP3 4160 23.532 10.586 62.241 1.00 0.00 WT3 H ATOM 41341 OH2 TIP3 4161 85.741 57.399 46.592 1.00 0.00 WT3 O ATOM 41342 H1 TIP3 4161 86.518 57.945 46.473 1.00 0.00 WT3 H ATOM 41343 H2 TIP3 4161 85.859 56.998 47.453 1.00 0.00 WT3 H ATOM 41344 OH2 TIP3 4162 21.009 5.857 5.030 1.00 0.00 WT3 O ATOM 41345 H1 TIP3 4162 20.687 6.758 4.997 1.00 0.00 WT3 H ATOM 41346 H2 TIP3 4162 21.856 5.921 5.472 1.00 0.00 WT3 H ATOM 41347 OH2 TIP3 4163 76.490 0.597 56.528 1.00 0.00 WT3 O ATOM 41348 H1 TIP3 4163 76.478 0.973 55.648 1.00 0.00 WT3 H ATOM 41349 H2 TIP3 4163 77.083 -0.152 56.461 1.00 0.00 WT3 H ATOM 41350 OH2 TIP3 4164 84.930 72.976 -2.108 1.00 0.00 WT3 O ATOM 41351 H1 TIP3 4164 84.274 72.917 -1.414 1.00 0.00 WT3 H ATOM 41352 H2 TIP3 4164 85.063 72.070 -2.389 1.00 0.00 WT3 H ATOM 41353 OH2 TIP3 4165 68.233 16.228 62.263 1.00 0.00 WT3 O ATOM 41354 H1 TIP3 4165 67.432 16.607 61.901 1.00 0.00 WT3 H ATOM 41355 H2 TIP3 4165 68.295 15.365 61.855 1.00 0.00 WT3 H ATOM 41356 OH2 TIP3 4166 86.107 19.708 -4.680 1.00 0.00 WT3 O ATOM 41357 H1 TIP3 4166 86.591 19.429 -3.903 1.00 0.00 WT3 H ATOM 41358 H2 TIP3 4166 85.371 19.099 -4.736 1.00 0.00 WT3 H ATOM 41359 OH2 TIP3 4173 89.214 68.227 43.708 1.00 0.00 WT3 O ATOM 41360 H1 TIP3 4173 89.150 67.428 43.186 1.00 0.00 WT3 H ATOM 41361 H2 TIP3 4173 89.828 68.008 44.408 1.00 0.00 WT3 H ATOM 41362 OH2 TIP3 4174 83.254 30.270 6.519 1.00 0.00 WT3 O ATOM 41363 H1 TIP3 4174 83.630 31.031 6.077 1.00 0.00 WT3 H ATOM 41364 H2 TIP3 4174 82.326 30.484 6.618 1.00 0.00 WT3 H ATOM 41365 OH2 TIP3 4175 69.606 57.643 2.669 1.00 0.00 WT3 O ATOM 41366 H1 TIP3 4175 69.840 58.143 3.451 1.00 0.00 WT3 H ATOM 41367 H2 TIP3 4175 70.443 57.461 2.242 1.00 0.00 WT3 H ATOM 41368 OH2 TIP3 4176 52.902 28.736 34.293 1.00 0.00 WT3 O ATOM 41369 H1 TIP3 4176 52.788 29.568 33.833 1.00 0.00 WT3 H ATOM 41370 H2 TIP3 4176 52.985 28.085 33.596 1.00 0.00 WT3 H ATOM 41371 OH2 TIP3 4177 38.426 0.636 1.140 1.00 0.00 WT3 O ATOM 41372 H1 TIP3 4177 38.547 1.029 2.005 1.00 0.00 WT3 H ATOM 41373 H2 TIP3 4177 39.309 0.395 0.861 1.00 0.00 WT3 H ATOM 41374 OH2 TIP3 4179 55.867 18.921 4.985 1.00 0.00 WT3 O ATOM 41375 H1 TIP3 4179 55.220 19.354 4.428 1.00 0.00 WT3 H ATOM 41376 H2 TIP3 4179 56.585 18.700 4.392 1.00 0.00 WT3 H ATOM 41377 OH2 TIP3 4184 49.740 74.064 27.773 1.00 0.00 WT3 O ATOM 41378 H1 TIP3 4184 49.107 74.348 27.114 1.00 0.00 WT3 H ATOM 41379 H2 TIP3 4184 49.981 73.177 27.508 1.00 0.00 WT3 H ATOM 41380 OH2 TIP3 4185 73.466 96.382 29.921 1.00 0.00 WT3 O ATOM 41381 H1 TIP3 4185 72.720 96.018 29.446 1.00 0.00 WT3 H ATOM 41382 H2 TIP3 4185 73.216 96.323 30.843 1.00 0.00 WT3 H ATOM 41383 OH2 TIP3 4186 49.813 71.655 29.818 1.00 0.00 WT3 O ATOM 41384 H1 TIP3 4186 50.214 70.832 30.098 1.00 0.00 WT3 H ATOM 41385 H2 TIP3 4186 49.843 71.624 28.862 1.00 0.00 WT3 H ATOM 41386 OH2 TIP3 4191 65.718 82.904 58.708 1.00 0.00 WT3 O ATOM 41387 H1 TIP3 4191 66.387 82.749 59.374 1.00 0.00 WT3 H ATOM 41388 H2 TIP3 4191 64.922 83.089 59.206 1.00 0.00 WT3 H ATOM 41389 OH2 TIP3 4196 39.483 53.465 28.758 1.00 0.00 WT3 O ATOM 41390 H1 TIP3 4196 40.417 53.256 28.751 1.00 0.00 WT3 H ATOM 41391 H2 TIP3 4196 39.452 54.422 28.771 1.00 0.00 WT3 H ATOM 41392 OH2 TIP3 4197 49.891 15.363 44.968 1.00 0.00 WT3 O ATOM 41393 H1 TIP3 4197 50.478 16.116 44.888 1.00 0.00 WT3 H ATOM 41394 H2 TIP3 4197 50.041 14.856 44.170 1.00 0.00 WT3 H ATOM 41395 OH2 TIP3 4201 56.500 12.127 32.822 1.00 0.00 WT3 O ATOM 41396 H1 TIP3 4201 56.728 12.949 33.256 1.00 0.00 WT3 H ATOM 41397 H2 TIP3 4201 56.296 11.526 33.539 1.00 0.00 WT3 H ATOM 41398 OH2 TIP3 4202 55.981 50.013 52.122 1.00 0.00 WT3 O ATOM 41399 H1 TIP3 4202 55.536 50.761 51.724 1.00 0.00 WT3 H ATOM 41400 H2 TIP3 4202 56.117 49.402 51.399 1.00 0.00 WT3 H ATOM 41401 OH2 TIP3 4203 52.479 81.926 -4.984 1.00 0.00 WT3 O ATOM 41402 H1 TIP3 4203 51.746 81.318 -5.080 1.00 0.00 WT3 H ATOM 41403 H2 TIP3 4203 52.765 82.100 -5.880 1.00 0.00 WT3 H ATOM 41404 OH2 TIP3 4204 61.010 3.030 34.440 1.00 0.00 WT3 O ATOM 41405 H1 TIP3 4204 60.393 3.465 33.852 1.00 0.00 WT3 H ATOM 41406 H2 TIP3 4204 60.562 2.227 34.707 1.00 0.00 WT3 H ATOM 41407 OH2 TIP3 4216 71.825 55.848 65.861 1.00 0.00 WT3 O ATOM 41408 H1 TIP3 4216 72.597 56.342 66.137 1.00 0.00 WT3 H ATOM 41409 H2 TIP3 4216 71.210 55.938 66.589 1.00 0.00 WT3 H ATOM 41410 OH2 TIP3 4221 81.286 58.106 3.586 1.00 0.00 WT3 O ATOM 41411 H1 TIP3 4221 80.377 58.403 3.601 1.00 0.00 WT3 H ATOM 41412 H2 TIP3 4221 81.273 57.267 4.046 1.00 0.00 WT3 H ATOM 41413 OH2 TIP3 4223 67.252 0.789 27.202 1.00 0.00 WT3 O ATOM 41414 H1 TIP3 4223 67.471 1.683 26.941 1.00 0.00 WT3 H ATOM 41415 H2 TIP3 4223 66.762 0.435 26.460 1.00 0.00 WT3 H ATOM 41416 OH2 TIP3 4230 85.872 81.661 21.561 1.00 0.00 WT3 O ATOM 41417 H1 TIP3 4230 85.420 81.461 22.381 1.00 0.00 WT3 H ATOM 41418 H2 TIP3 4230 86.207 82.549 21.683 1.00 0.00 WT3 H ATOM 41419 OH2 TIP3 4237 68.580 46.743 65.002 1.00 0.00 WT3 O ATOM 41420 H1 TIP3 4237 67.929 47.278 65.456 1.00 0.00 WT3 H ATOM 41421 H2 TIP3 4237 69.407 47.205 65.137 1.00 0.00 WT3 H ATOM 41422 OH2 TIP3 4239 33.910 73.785 9.257 1.00 0.00 WT3 O ATOM 41423 H1 TIP3 4239 34.317 73.408 10.036 1.00 0.00 WT3 H ATOM 41424 H2 TIP3 4239 34.543 74.431 8.943 1.00 0.00 WT3 H ATOM 41425 OH2 TIP3 4240 54.608 10.561 39.159 1.00 0.00 WT3 O ATOM 41426 H1 TIP3 4240 55.548 10.560 38.979 1.00 0.00 WT3 H ATOM 41427 H2 TIP3 4240 54.501 11.187 39.875 1.00 0.00 WT3 H ATOM 41428 OH2 TIP3 4243 22.419 12.744 1.625 1.00 0.00 WT3 O ATOM 41429 H1 TIP3 4243 22.630 12.874 2.549 1.00 0.00 WT3 H ATOM 41430 H2 TIP3 4243 21.887 13.504 1.390 1.00 0.00 WT3 H ATOM 41431 OH2 TIP3 4278 47.433 24.996 -14.453 1.00 0.00 WT3 O ATOM 41432 H1 TIP3 4278 47.017 25.322 -13.655 1.00 0.00 WT3 H ATOM 41433 H2 TIP3 4278 48.371 25.035 -14.268 1.00 0.00 WT3 H ATOM 41434 OH2 TIP3 4319 64.829 93.509 36.817 1.00 0.00 WT3 O ATOM 41435 H1 TIP3 4319 65.395 94.259 36.996 1.00 0.00 WT3 H ATOM 41436 H2 TIP3 4319 64.052 93.887 36.406 1.00 0.00 WT3 H ATOM 41437 OH2 TIP3 4323 85.159 32.543 -10.588 1.00 0.00 WT3 O ATOM 41438 H1 TIP3 4323 84.216 32.409 -10.496 1.00 0.00 WT3 H ATOM 41439 H2 TIP3 4323 85.469 31.758 -11.040 1.00 0.00 WT3 H ATOM 41440 OH2 TIP3 4356 79.709 41.846 2.507 1.00 0.00 WT3 O ATOM 41441 H1 TIP3 4356 80.635 41.726 2.294 1.00 0.00 WT3 H ATOM 41442 H2 TIP3 4356 79.701 42.553 3.152 1.00 0.00 WT3 H ATOM 41443 OH2 TIP3 4374 86.616 96.050 10.099 1.00 0.00 WT3 O ATOM 41444 H1 TIP3 4374 87.162 95.553 10.709 1.00 0.00 WT3 H ATOM 41445 H2 TIP3 4374 86.066 95.390 9.677 1.00 0.00 WT3 H ATOM 41446 OH2 TIP3 4382 85.898 92.015 31.581 1.00 0.00 WT3 O ATOM 41447 H1 TIP3 4382 86.659 91.967 31.002 1.00 0.00 WT3 H ATOM 41448 H2 TIP3 4382 86.164 92.616 32.277 1.00 0.00 WT3 H ATOM 41449 OH2 TIP3 4394 56.849 94.566 7.335 1.00 0.00 WT3 O ATOM 41450 H1 TIP3 4394 56.440 95.336 7.731 1.00 0.00 WT3 H ATOM 41451 H2 TIP3 4394 57.786 94.690 7.483 1.00 0.00 WT3 H ATOM 41452 OH2 TIP3 4401 89.575 87.551 64.774 1.00 0.00 WT3 O ATOM 41453 H1 TIP3 4401 89.554 87.865 65.678 1.00 0.00 WT3 H ATOM 41454 H2 TIP3 4401 88.784 87.019 64.687 1.00 0.00 WT3 H ATOM 41455 OH2 TIP3 4404 25.220 56.033 -18.230 1.00 0.00 WT3 O ATOM 41456 H1 TIP3 4404 25.114 56.948 -17.970 1.00 0.00 WT3 H ATOM 41457 H2 TIP3 4404 24.422 55.602 -17.922 1.00 0.00 WT3 H ATOM 41458 OH2 TIP3 4407 30.880 12.840 32.966 1.00 0.00 WT3 O ATOM 41459 H1 TIP3 4407 30.186 12.364 32.511 1.00 0.00 WT3 H ATOM 41460 H2 TIP3 4407 30.814 13.736 32.634 1.00 0.00 WT3 H ATOM 41461 OH2 TIP3 4409 77.392 32.918 55.961 1.00 0.00 WT3 O ATOM 41462 H1 TIP3 4409 77.283 31.997 56.199 1.00 0.00 WT3 H ATOM 41463 H2 TIP3 4409 77.941 32.900 55.177 1.00 0.00 WT3 H ATOM 41464 OH2 TIP3 4412 26.280 86.014 33.600 1.00 0.00 WT3 O ATOM 41465 H1 TIP3 4412 25.893 85.269 34.060 1.00 0.00 WT3 H ATOM 41466 H2 TIP3 4412 27.215 85.814 33.562 1.00 0.00 WT3 H ATOM 41467 OH2 TIP3 4414 50.506 68.225 5.142 1.00 0.00 WT3 O ATOM 41468 H1 TIP3 4414 50.425 68.223 6.096 1.00 0.00 WT3 H ATOM 41469 H2 TIP3 4414 50.789 67.336 4.924 1.00 0.00 WT3 H ATOM 41470 OH2 TIP3 4415 64.361 24.611 3.063 1.00 0.00 WT3 O ATOM 41471 H1 TIP3 4415 63.693 24.744 2.391 1.00 0.00 WT3 H ATOM 41472 H2 TIP3 4415 64.962 25.348 2.952 1.00 0.00 WT3 H ATOM 41473 OH2 TIP3 4417 53.930 45.563 33.346 1.00 0.00 WT3 O ATOM 41474 H1 TIP3 4417 54.166 44.636 33.394 1.00 0.00 WT3 H ATOM 41475 H2 TIP3 4417 53.988 45.777 32.415 1.00 0.00 WT3 H ATOM 41476 OH2 TIP3 4419 45.596 4.454 40.423 1.00 0.00 WT3 O ATOM 41477 H1 TIP3 4419 45.402 4.012 41.249 1.00 0.00 WT3 H ATOM 41478 H2 TIP3 4419 46.484 4.793 40.535 1.00 0.00 WT3 H ATOM 41479 OH2 TIP3 4427 39.228 75.876 6.781 1.00 0.00 WT3 O ATOM 41480 H1 TIP3 4427 40.130 75.735 6.492 1.00 0.00 WT3 H ATOM 41481 H2 TIP3 4427 39.106 75.253 7.497 1.00 0.00 WT3 H ATOM 41482 OH2 TIP3 4432 85.479 65.200 33.958 1.00 0.00 WT3 O ATOM 41483 H1 TIP3 4432 85.228 64.644 34.696 1.00 0.00 WT3 H ATOM 41484 H2 TIP3 4432 84.773 65.088 33.322 1.00 0.00 WT3 H ATOM 41485 OH2 TIP3 4433 43.623 85.175 59.674 1.00 0.00 WT3 O ATOM 41486 H1 TIP3 4433 44.328 85.384 60.287 1.00 0.00 WT3 H ATOM 41487 H2 TIP3 4433 43.160 84.443 60.082 1.00 0.00 WT3 H ATOM 41488 OH2 TIP3 4434 32.760 38.667 10.943 1.00 0.00 WT3 O ATOM 41489 H1 TIP3 4434 31.951 39.116 10.697 1.00 0.00 WT3 H ATOM 41490 H2 TIP3 4434 33.312 39.356 11.314 1.00 0.00 WT3 H ATOM 41491 OH2 TIP3 4436 82.029 18.755 45.105 1.00 0.00 WT3 O ATOM 41492 H1 TIP3 4436 82.980 18.650 45.120 1.00 0.00 WT3 H ATOM 41493 H2 TIP3 4436 81.887 19.612 44.703 1.00 0.00 WT3 H ATOM 41494 OH2 TIP3 4437 74.040 77.000 51.684 1.00 0.00 WT3 O ATOM 41495 H1 TIP3 4437 73.774 76.967 50.765 1.00 0.00 WT3 H ATOM 41496 H2 TIP3 4437 73.390 77.565 52.102 1.00 0.00 WT3 H ATOM 41497 OH2 TIP3 4438 56.928 46.207 -10.608 1.00 0.00 WT3 O ATOM 41498 H1 TIP3 4438 57.489 45.547 -10.201 1.00 0.00 WT3 H ATOM 41499 H2 TIP3 4438 57.485 46.982 -10.683 1.00 0.00 WT3 H ATOM 41500 OH2 TIP3 4446 30.778 71.406 40.279 1.00 0.00 WT3 O ATOM 41501 H1 TIP3 4446 31.280 71.292 39.472 1.00 0.00 WT3 H ATOM 41502 H2 TIP3 4446 31.236 70.868 40.925 1.00 0.00 WT3 H ATOM 41503 OH2 TIP3 4449 53.825 91.285 21.491 1.00 0.00 WT3 O ATOM 41504 H1 TIP3 4449 53.689 91.855 22.248 1.00 0.00 WT3 H ATOM 41505 H2 TIP3 4449 52.981 91.280 21.039 1.00 0.00 WT3 H ATOM 41506 OH2 TIP3 4451 33.438 71.764 65.061 1.00 0.00 WT3 O ATOM 41507 H1 TIP3 4451 34.050 71.045 65.215 1.00 0.00 WT3 H ATOM 41508 H2 TIP3 4451 32.705 71.586 65.651 1.00 0.00 WT3 H ATOM 41509 OH2 TIP3 4453 54.735 79.742 40.804 1.00 0.00 WT3 O ATOM 41510 H1 TIP3 4453 54.435 78.864 41.040 1.00 0.00 WT3 H ATOM 41511 H2 TIP3 4453 55.571 79.840 41.259 1.00 0.00 WT3 H ATOM 41512 OH2 TIP3 4455 67.275 49.127 -2.790 1.00 0.00 WT3 O ATOM 41513 H1 TIP3 4455 66.322 49.192 -2.841 1.00 0.00 WT3 H ATOM 41514 H2 TIP3 4455 67.593 49.931 -3.203 1.00 0.00 WT3 H ATOM 41515 OH2 TIP3 4457 27.952 50.891 56.987 1.00 0.00 WT3 O ATOM 41516 H1 TIP3 4457 28.820 51.250 56.804 1.00 0.00 WT3 H ATOM 41517 H2 TIP3 4457 27.344 51.551 56.653 1.00 0.00 WT3 H ATOM 41518 OH2 TIP3 4460 89.433 0.314 3.128 1.00 0.00 WT3 O ATOM 41519 H1 TIP3 4460 89.190 -0.525 3.519 1.00 0.00 WT3 H ATOM 41520 H2 TIP3 4460 88.820 0.943 3.509 1.00 0.00 WT3 H ATOM 41521 OH2 TIP3 4464 81.505 73.267 18.093 1.00 0.00 WT3 O ATOM 41522 H1 TIP3 4464 80.576 73.124 18.274 1.00 0.00 WT3 H ATOM 41523 H2 TIP3 4464 81.945 73.052 18.916 1.00 0.00 WT3 H ATOM 41524 OH2 TIP3 4467 27.041 85.065 25.862 1.00 0.00 WT3 O ATOM 41525 H1 TIP3 4467 26.830 85.024 24.930 1.00 0.00 WT3 H ATOM 41526 H2 TIP3 4467 27.967 85.307 25.889 1.00 0.00 WT3 H ATOM 41527 OH2 TIP3 4468 36.714 69.609 3.041 1.00 0.00 WT3 O ATOM 41528 H1 TIP3 4468 35.777 69.798 2.994 1.00 0.00 WT3 H ATOM 41529 H2 TIP3 4468 36.793 68.959 3.738 1.00 0.00 WT3 H ATOM 41530 OH2 TIP3 4470 30.365 85.209 37.339 1.00 0.00 WT3 O ATOM 41531 H1 TIP3 4470 30.507 84.364 37.767 1.00 0.00 WT3 H ATOM 41532 H2 TIP3 4470 31.044 85.255 36.667 1.00 0.00 WT3 H ATOM 41533 OH2 TIP3 4472 83.348 35.903 42.184 1.00 0.00 WT3 O ATOM 41534 H1 TIP3 4472 83.171 35.735 43.110 1.00 0.00 WT3 H ATOM 41535 H2 TIP3 4472 83.921 35.184 41.915 1.00 0.00 WT3 H ATOM 41536 OH2 TIP3 4473 57.456 46.199 -0.597 1.00 0.00 WT3 O ATOM 41537 H1 TIP3 4473 57.979 45.967 0.170 1.00 0.00 WT3 H ATOM 41538 H2 TIP3 4473 56.574 46.338 -0.252 1.00 0.00 WT3 H ATOM 41539 OH2 TIP3 4475 49.893 52.551 52.569 1.00 0.00 WT3 O ATOM 41540 H1 TIP3 4475 49.073 52.656 53.051 1.00 0.00 WT3 H ATOM 41541 H2 TIP3 4475 49.764 53.053 51.764 1.00 0.00 WT3 H ATOM 41542 OH2 TIP3 4476 20.666 50.552 -8.388 1.00 0.00 WT3 O ATOM 41543 H1 TIP3 4476 20.626 51.007 -9.229 1.00 0.00 WT3 H ATOM 41544 H2 TIP3 4476 21.444 49.998 -8.452 1.00 0.00 WT3 H ATOM 41545 OH2 TIP3 4477 44.152 27.080 55.350 1.00 0.00 WT3 O ATOM 41546 H1 TIP3 4477 44.251 28.004 55.119 1.00 0.00 WT3 H ATOM 41547 H2 TIP3 4477 43.522 27.079 56.071 1.00 0.00 WT3 H ATOM 41548 OH2 TIP3 4478 68.744 32.549 3.918 1.00 0.00 WT3 O ATOM 41549 H1 TIP3 4478 69.468 31.984 4.190 1.00 0.00 WT3 H ATOM 41550 H2 TIP3 4478 68.469 32.990 4.721 1.00 0.00 WT3 H ATOM 41551 OH2 TIP3 4479 74.434 19.146 48.378 1.00 0.00 WT3 O ATOM 41552 H1 TIP3 4479 74.866 19.641 47.682 1.00 0.00 WT3 H ATOM 41553 H2 TIP3 4479 75.130 18.960 49.008 1.00 0.00 WT3 H ATOM 41554 OH2 TIP3 4480 29.155 33.547 -2.067 1.00 0.00 WT3 O ATOM 41555 H1 TIP3 4480 29.983 34.027 -2.047 1.00 0.00 WT3 H ATOM 41556 H2 TIP3 4480 28.652 33.967 -2.764 1.00 0.00 WT3 H ATOM 41557 OH2 TIP3 4483 88.543 29.051 -11.542 1.00 0.00 WT3 O ATOM 41558 H1 TIP3 4483 88.050 28.922 -10.732 1.00 0.00 WT3 H ATOM 41559 H2 TIP3 4483 88.065 28.542 -12.197 1.00 0.00 WT3 H ATOM 41560 OH2 TIP3 4484 42.279 10.953 7.752 1.00 0.00 WT3 O ATOM 41561 H1 TIP3 4484 41.458 11.344 8.051 1.00 0.00 WT3 H ATOM 41562 H2 TIP3 4484 42.286 10.080 8.145 1.00 0.00 WT3 H ATOM 41563 OH2 TIP3 4485 42.535 30.942 10.690 1.00 0.00 WT3 O ATOM 41564 H1 TIP3 4485 42.192 31.835 10.700 1.00 0.00 WT3 H ATOM 41565 H2 TIP3 4485 42.991 30.851 11.526 1.00 0.00 WT3 H ATOM 41566 OH2 TIP3 4489 63.467 63.118 66.341 1.00 0.00 WT3 O ATOM 41567 H1 TIP3 4489 64.111 62.537 65.935 1.00 0.00 WT3 H ATOM 41568 H2 TIP3 4489 63.093 63.610 65.611 1.00 0.00 WT3 H ATOM 41569 OH2 TIP3 4493 74.159 75.469 66.845 1.00 0.00 WT3 O ATOM 41570 H1 TIP3 4493 73.382 75.109 66.417 1.00 0.00 WT3 H ATOM 41571 H2 TIP3 4493 74.196 76.378 66.549 1.00 0.00 WT3 H ATOM 41572 OH2 TIP3 4494 70.013 0.795 30.786 1.00 0.00 WT3 O ATOM 41573 H1 TIP3 4494 70.246 0.000 30.306 1.00 0.00 WT3 H ATOM 41574 H2 TIP3 4494 70.367 0.658 31.664 1.00 0.00 WT3 H ATOM 41575 OH2 TIP3 4495 39.357 9.508 31.207 1.00 0.00 WT3 O ATOM 41576 H1 TIP3 4495 38.652 10.030 31.588 1.00 0.00 WT3 H ATOM 41577 H2 TIP3 4495 39.912 10.146 30.758 1.00 0.00 WT3 H ATOM 41578 OH2 TIP3 4496 25.356 36.101 51.257 1.00 0.00 WT3 O ATOM 41579 H1 TIP3 4496 25.969 36.245 50.536 1.00 0.00 WT3 H ATOM 41580 H2 TIP3 4496 25.154 36.980 51.578 1.00 0.00 WT3 H ATOM 41581 OH2 TIP3 4498 71.394 82.531 39.992 1.00 0.00 WT3 O ATOM 41582 H1 TIP3 4498 71.378 81.806 40.616 1.00 0.00 WT3 H ATOM 41583 H2 TIP3 4498 72.165 83.043 40.238 1.00 0.00 WT3 H ATOM 41584 OH2 TIP3 4499 22.789 86.796 45.094 1.00 0.00 WT3 O ATOM 41585 H1 TIP3 4499 22.830 86.026 44.528 1.00 0.00 WT3 H ATOM 41586 H2 TIP3 4499 23.600 87.271 44.914 1.00 0.00 WT3 H ATOM 41587 OH2 TIP3 4500 28.452 85.122 12.293 1.00 0.00 WT3 O ATOM 41588 H1 TIP3 4500 28.606 86.042 12.506 1.00 0.00 WT3 H ATOM 41589 H2 TIP3 4500 29.121 84.646 12.785 1.00 0.00 WT3 H ATOM 41590 OH2 TIP3 4501 77.248 23.579 7.783 1.00 0.00 WT3 O ATOM 41591 H1 TIP3 4501 77.525 23.028 8.515 1.00 0.00 WT3 H ATOM 41592 H2 TIP3 4501 77.153 22.973 7.048 1.00 0.00 WT3 H ATOM 41593 OH2 TIP3 4503 34.652 70.116 -2.593 1.00 0.00 WT3 O ATOM 41594 H1 TIP3 4503 35.362 70.505 -2.082 1.00 0.00 WT3 H ATOM 41595 H2 TIP3 4503 35.009 70.033 -3.477 1.00 0.00 WT3 H ATOM 41596 OH2 TIP3 4506 64.158 29.371 13.412 1.00 0.00 WT3 O ATOM 41597 H1 TIP3 4506 63.877 29.191 12.515 1.00 0.00 WT3 H ATOM 41598 H2 TIP3 4506 63.381 29.728 13.840 1.00 0.00 WT3 H ATOM 41599 OH2 TIP3 4508 48.320 78.614 46.689 1.00 0.00 WT3 O ATOM 41600 H1 TIP3 4508 48.720 78.385 47.528 1.00 0.00 WT3 H ATOM 41601 H2 TIP3 4508 47.595 79.195 46.920 1.00 0.00 WT3 H ATOM 41602 OH2 TIP3 4510 24.350 68.566 25.276 1.00 0.00 WT3 O ATOM 41603 H1 TIP3 4510 24.949 68.602 24.530 1.00 0.00 WT3 H ATOM 41604 H2 TIP3 4510 24.098 67.644 25.337 1.00 0.00 WT3 H ATOM 41605 OH2 TIP3 4511 32.046 2.269 14.730 1.00 0.00 WT3 O ATOM 41606 H1 TIP3 4511 32.786 2.818 14.471 1.00 0.00 WT3 H ATOM 41607 H2 TIP3 4511 32.130 2.186 15.680 1.00 0.00 WT3 H ATOM 41608 OH2 TIP3 4513 68.377 62.342 57.282 1.00 0.00 WT3 O ATOM 41609 H1 TIP3 4513 68.488 62.755 56.425 1.00 0.00 WT3 H ATOM 41610 H2 TIP3 4513 67.699 62.863 57.713 1.00 0.00 WT3 H ATOM 41611 OH2 TIP3 4515 85.087 78.054 58.510 1.00 0.00 WT3 O ATOM 41612 H1 TIP3 4515 84.661 77.197 58.483 1.00 0.00 WT3 H ATOM 41613 H2 TIP3 4515 85.206 78.234 59.442 1.00 0.00 WT3 H ATOM 41614 OH2 TIP3 4516 46.900 84.920 -19.312 1.00 0.00 WT3 O ATOM 41615 H1 TIP3 4516 46.725 84.078 -19.733 1.00 0.00 WT3 H ATOM 41616 H2 TIP3 4516 46.048 85.205 -18.983 1.00 0.00 WT3 H ATOM 41617 OH2 TIP3 4517 74.779 77.255 15.803 1.00 0.00 WT3 O ATOM 41618 H1 TIP3 4517 74.908 76.945 16.699 1.00 0.00 WT3 H ATOM 41619 H2 TIP3 4517 74.046 76.735 15.473 1.00 0.00 WT3 H ATOM 41620 OH2 TIP3 4518 53.041 16.192 -12.666 1.00 0.00 WT3 O ATOM 41621 H1 TIP3 4518 53.644 15.941 -11.966 1.00 0.00 WT3 H ATOM 41622 H2 TIP3 4518 53.451 15.863 -13.465 1.00 0.00 WT3 H ATOM 41623 OH2 TIP3 4519 81.950 27.721 45.042 1.00 0.00 WT3 O ATOM 41624 H1 TIP3 4519 82.155 27.638 44.111 1.00 0.00 WT3 H ATOM 41625 H2 TIP3 4519 81.110 28.180 45.063 1.00 0.00 WT3 H ATOM 41626 OH2 TIP3 4520 62.999 83.900 5.274 1.00 0.00 WT3 O ATOM 41627 H1 TIP3 4520 62.139 83.495 5.383 1.00 0.00 WT3 H ATOM 41628 H2 TIP3 4520 62.925 84.408 4.466 1.00 0.00 WT3 H ATOM 41629 OH2 TIP3 4523 79.493 49.341 14.260 1.00 0.00 WT3 O ATOM 41630 H1 TIP3 4523 79.070 49.118 15.090 1.00 0.00 WT3 H ATOM 41631 H2 TIP3 4523 78.975 50.068 13.915 1.00 0.00 WT3 H ATOM 41632 OH2 TIP3 4524 62.337 45.963 49.620 1.00 0.00 WT3 O ATOM 41633 H1 TIP3 4524 62.093 45.891 48.697 1.00 0.00 WT3 H ATOM 41634 H2 TIP3 4524 62.362 46.904 49.789 1.00 0.00 WT3 H ATOM 41635 OH2 TIP3 4526 76.952 69.928 45.534 1.00 0.00 WT3 O ATOM 41636 H1 TIP3 4526 76.650 70.580 44.902 1.00 0.00 WT3 H ATOM 41637 H2 TIP3 4526 77.276 69.205 44.997 1.00 0.00 WT3 H ATOM 41638 OH2 TIP3 4528 62.164 59.521 -6.714 1.00 0.00 WT3 O ATOM 41639 H1 TIP3 4528 62.576 58.671 -6.560 1.00 0.00 WT3 H ATOM 41640 H2 TIP3 4528 61.257 59.404 -6.432 1.00 0.00 WT3 H ATOM 41641 OH2 TIP3 4530 71.139 62.011 13.185 1.00 0.00 WT3 O ATOM 41642 H1 TIP3 4530 71.251 61.475 12.399 1.00 0.00 WT3 H ATOM 41643 H2 TIP3 4530 70.190 62.073 13.299 1.00 0.00 WT3 H ATOM 41644 OH2 TIP3 4532 73.868 66.766 11.624 1.00 0.00 WT3 O ATOM 41645 H1 TIP3 4532 73.919 67.419 12.322 1.00 0.00 WT3 H ATOM 41646 H2 TIP3 4532 73.242 66.118 11.947 1.00 0.00 WT3 H ATOM 41647 OH2 TIP3 4533 49.835 69.360 25.106 1.00 0.00 WT3 O ATOM 41648 H1 TIP3 4533 49.346 68.539 25.165 1.00 0.00 WT3 H ATOM 41649 H2 TIP3 4533 50.142 69.392 24.200 1.00 0.00 WT3 H ATOM 41650 OH2 TIP3 4534 89.992 67.778 55.913 1.00 0.00 WT3 O ATOM 41651 H1 TIP3 4534 89.192 67.313 55.666 1.00 0.00 WT3 H ATOM 41652 H2 TIP3 4534 90.601 67.087 56.171 1.00 0.00 WT3 H ATOM 41653 OH2 TIP3 4535 66.118 18.884 -9.079 1.00 0.00 WT3 O ATOM 41654 H1 TIP3 4535 66.400 19.005 -8.172 1.00 0.00 WT3 H ATOM 41655 H2 TIP3 4535 66.922 18.963 -9.593 1.00 0.00 WT3 H ATOM 41656 OH2 TIP3 4536 50.851 69.065 -0.810 1.00 0.00 WT3 O ATOM 41657 H1 TIP3 4536 50.389 68.228 -0.840 1.00 0.00 WT3 H ATOM 41658 H2 TIP3 4536 51.565 68.923 -0.187 1.00 0.00 WT3 H ATOM 41659 OH2 TIP3 4537 70.198 71.745 10.324 1.00 0.00 WT3 O ATOM 41660 H1 TIP3 4537 70.583 71.841 9.453 1.00 0.00 WT3 H ATOM 41661 H2 TIP3 4537 69.257 71.681 10.164 1.00 0.00 WT3 H ATOM 41662 OH2 TIP3 4538 29.782 15.725 -14.247 1.00 0.00 WT3 O ATOM 41663 H1 TIP3 4538 29.341 15.334 -13.494 1.00 0.00 WT3 H ATOM 41664 H2 TIP3 4538 30.550 15.172 -14.390 1.00 0.00 WT3 H ATOM 41665 OH2 TIP3 4539 63.202 0.104 38.918 1.00 0.00 WT3 O ATOM 41666 H1 TIP3 4539 64.052 -0.188 39.246 1.00 0.00 WT3 H ATOM 41667 H2 TIP3 4539 63.214 1.054 39.033 1.00 0.00 WT3 H ATOM 41668 OH2 TIP3 4541 53.649 93.347 44.583 1.00 0.00 WT3 O ATOM 41669 H1 TIP3 4541 54.158 93.866 45.206 1.00 0.00 WT3 H ATOM 41670 H2 TIP3 4541 52.771 93.727 44.615 1.00 0.00 WT3 H ATOM 41671 OH2 TIP3 4542 56.845 49.887 -5.855 1.00 0.00 WT3 O ATOM 41672 H1 TIP3 4542 57.464 49.665 -5.159 1.00 0.00 WT3 H ATOM 41673 H2 TIP3 4542 56.175 49.206 -5.806 1.00 0.00 WT3 H ATOM 41674 OH2 TIP3 4543 42.856 96.477 21.506 1.00 0.00 WT3 O ATOM 41675 H1 TIP3 4543 42.265 96.454 22.258 1.00 0.00 WT3 H ATOM 41676 H2 TIP3 4543 43.725 96.324 21.878 1.00 0.00 WT3 H ATOM 41677 OH2 TIP3 4544 29.431 53.538 -12.616 1.00 0.00 WT3 O ATOM 41678 H1 TIP3 4544 29.823 53.086 -13.363 1.00 0.00 WT3 H ATOM 41679 H2 TIP3 4544 30.114 54.136 -12.313 1.00 0.00 WT3 H ATOM 41680 OH2 TIP3 4546 79.879 86.558 56.038 1.00 0.00 WT3 O ATOM 41681 H1 TIP3 4546 78.955 86.762 55.891 1.00 0.00 WT3 H ATOM 41682 H2 TIP3 4546 80.129 86.021 55.286 1.00 0.00 WT3 H ATOM 41683 OH2 TIP3 4547 41.150 67.039 -0.823 1.00 0.00 WT3 O ATOM 41684 H1 TIP3 4547 41.218 66.696 0.068 1.00 0.00 WT3 H ATOM 41685 H2 TIP3 4547 41.979 66.799 -1.237 1.00 0.00 WT3 H ATOM 41686 OH2 TIP3 4548 69.361 9.183 4.266 1.00 0.00 WT3 O ATOM 41687 H1 TIP3 4548 69.118 10.090 4.451 1.00 0.00 WT3 H ATOM 41688 H2 TIP3 4548 69.893 9.233 3.472 1.00 0.00 WT3 H ATOM 41689 OH2 TIP3 4549 78.993 54.369 31.820 1.00 0.00 WT3 O ATOM 41690 H1 TIP3 4549 78.714 54.784 31.004 1.00 0.00 WT3 H ATOM 41691 H2 TIP3 4549 78.437 54.762 32.492 1.00 0.00 WT3 H ATOM 41692 OH2 TIP3 4552 82.884 91.162 32.873 1.00 0.00 WT3 O ATOM 41693 H1 TIP3 4552 83.499 91.869 32.680 1.00 0.00 WT3 H ATOM 41694 H2 TIP3 4552 83.347 90.364 32.620 1.00 0.00 WT3 H ATOM 41695 OH2 TIP3 4553 35.289 68.127 33.904 1.00 0.00 WT3 O ATOM 41696 H1 TIP3 4553 35.889 68.856 34.063 1.00 0.00 WT3 H ATOM 41697 H2 TIP3 4553 35.669 67.661 33.159 1.00 0.00 WT3 H ATOM 41698 OH2 TIP3 4554 82.473 77.587 51.556 1.00 0.00 WT3 O ATOM 41699 H1 TIP3 4554 82.275 78.145 50.804 1.00 0.00 WT3 H ATOM 41700 H2 TIP3 4554 82.534 78.193 52.295 1.00 0.00 WT3 H ATOM 41701 OH2 TIP3 4555 37.107 74.961 52.849 1.00 0.00 WT3 O ATOM 41702 H1 TIP3 4555 36.664 75.156 52.023 1.00 0.00 WT3 H ATOM 41703 H2 TIP3 4555 38.039 75.033 52.645 1.00 0.00 WT3 H ATOM 41704 OH2 TIP3 4556 44.556 14.736 37.015 1.00 0.00 WT3 O ATOM 41705 H1 TIP3 4556 45.025 15.552 36.842 1.00 0.00 WT3 H ATOM 41706 H2 TIP3 4556 45.099 14.057 36.614 1.00 0.00 WT3 H ATOM 41707 OH2 TIP3 4557 48.596 75.281 63.630 1.00 0.00 WT3 O ATOM 41708 H1 TIP3 4557 47.928 75.791 64.087 1.00 0.00 WT3 H ATOM 41709 H2 TIP3 4557 48.107 74.597 63.174 1.00 0.00 WT3 H ATOM 41710 OH2 TIP3 4558 61.229 34.863 -5.740 1.00 0.00 WT3 O ATOM 41711 H1 TIP3 4558 61.202 35.498 -6.455 1.00 0.00 WT3 H ATOM 41712 H2 TIP3 4558 60.783 35.299 -5.014 1.00 0.00 WT3 H ATOM 41713 OH2 TIP3 4559 41.291 46.892 -14.447 1.00 0.00 WT3 O ATOM 41714 H1 TIP3 4559 42.243 46.814 -14.381 1.00 0.00 WT3 H ATOM 41715 H2 TIP3 4559 41.074 47.650 -13.905 1.00 0.00 WT3 H ATOM 41716 OH2 TIP3 4560 88.072 44.801 -9.377 1.00 0.00 WT3 O ATOM 41717 H1 TIP3 4560 88.130 44.294 -8.567 1.00 0.00 WT3 H ATOM 41718 H2 TIP3 4560 87.635 44.215 -9.996 1.00 0.00 WT3 H ATOM 41719 OH2 TIP3 4561 30.573 91.079 45.456 1.00 0.00 WT3 O ATOM 41720 H1 TIP3 4561 30.965 90.392 45.995 1.00 0.00 WT3 H ATOM 41721 H2 TIP3 4561 31.236 91.272 44.794 1.00 0.00 WT3 H ATOM 41722 OH2 TIP3 4562 36.459 14.204 -15.106 1.00 0.00 WT3 O ATOM 41723 H1 TIP3 4562 36.803 14.483 -15.955 1.00 0.00 WT3 H ATOM 41724 H2 TIP3 4562 36.006 13.381 -15.289 1.00 0.00 WT3 H ATOM 41725 OH2 TIP3 4564 32.415 77.165 58.378 1.00 0.00 WT3 O ATOM 41726 H1 TIP3 4564 31.501 76.948 58.194 1.00 0.00 WT3 H ATOM 41727 H2 TIP3 4564 32.917 76.464 57.962 1.00 0.00 WT3 H ATOM 41728 OH2 TIP3 4566 23.432 81.678 4.538 1.00 0.00 WT3 O ATOM 41729 H1 TIP3 4566 23.426 81.243 5.390 1.00 0.00 WT3 H ATOM 41730 H2 TIP3 4566 22.717 81.266 4.053 1.00 0.00 WT3 H ATOM 41731 OH2 TIP3 4567 89.595 8.178 5.173 1.00 0.00 WT3 O ATOM 41732 H1 TIP3 4567 88.962 7.979 4.483 1.00 0.00 WT3 H ATOM 41733 H2 TIP3 4567 89.153 8.822 5.727 1.00 0.00 WT3 H ATOM 41734 OH2 TIP3 4568 56.782 79.340 22.134 1.00 0.00 WT3 O ATOM 41735 H1 TIP3 4568 56.752 79.019 23.035 1.00 0.00 WT3 H ATOM 41736 H2 TIP3 4568 56.470 78.604 21.607 1.00 0.00 WT3 H ATOM 41737 OH2 TIP3 4569 45.631 90.614 -15.876 1.00 0.00 WT3 O ATOM 41738 H1 TIP3 4569 45.917 89.803 -16.296 1.00 0.00 WT3 H ATOM 41739 H2 TIP3 4569 45.651 91.267 -16.576 1.00 0.00 WT3 H ATOM 41740 OH2 TIP3 4570 76.700 17.576 36.796 1.00 0.00 WT3 O ATOM 41741 H1 TIP3 4570 77.657 17.584 36.777 1.00 0.00 WT3 H ATOM 41742 H2 TIP3 4570 76.475 17.890 37.672 1.00 0.00 WT3 H ATOM 41743 OH2 TIP3 4571 74.486 5.162 66.712 1.00 0.00 WT3 O ATOM 41744 H1 TIP3 4571 75.007 5.771 66.189 1.00 0.00 WT3 H ATOM 41745 H2 TIP3 4571 73.623 5.166 66.297 1.00 0.00 WT3 H ATOM 41746 OH2 TIP3 4572 80.107 79.483 39.182 1.00 0.00 WT3 O ATOM 41747 H1 TIP3 4572 79.878 80.382 38.947 1.00 0.00 WT3 H ATOM 41748 H2 TIP3 4572 79.549 78.939 38.626 1.00 0.00 WT3 H ATOM 41749 OH2 TIP3 4573 84.098 15.175 36.494 1.00 0.00 WT3 O ATOM 41750 H1 TIP3 4573 84.253 15.723 35.725 1.00 0.00 WT3 H ATOM 41751 H2 TIP3 4573 84.701 15.514 37.156 1.00 0.00 WT3 H ATOM 41752 OH2 TIP3 4574 86.711 83.553 4.952 1.00 0.00 WT3 O ATOM 41753 H1 TIP3 4574 86.906 83.058 5.747 1.00 0.00 WT3 H ATOM 41754 H2 TIP3 4574 85.762 83.681 4.975 1.00 0.00 WT3 H ATOM 41755 OH2 TIP3 4575 55.608 63.003 54.700 1.00 0.00 WT3 O ATOM 41756 H1 TIP3 4575 55.236 62.193 55.049 1.00 0.00 WT3 H ATOM 41757 H2 TIP3 4575 56.535 62.805 54.568 1.00 0.00 WT3 H ATOM 41758 OH2 TIP3 4576 50.170 78.200 -12.618 1.00 0.00 WT3 O ATOM 41759 H1 TIP3 4576 49.519 77.577 -12.293 1.00 0.00 WT3 H ATOM 41760 H2 TIP3 4576 50.101 78.143 -13.571 1.00 0.00 WT3 H ATOM 41761 OH2 TIP3 4578 79.313 77.996 -4.186 1.00 0.00 WT3 O ATOM 41762 H1 TIP3 4578 78.988 78.041 -5.085 1.00 0.00 WT3 H ATOM 41763 H2 TIP3 4578 80.169 78.422 -4.218 1.00 0.00 WT3 H ATOM 41764 OH2 TIP3 4579 45.730 51.239 41.669 1.00 0.00 WT3 O ATOM 41765 H1 TIP3 4579 45.864 52.129 41.345 1.00 0.00 WT3 H ATOM 41766 H2 TIP3 4579 45.421 50.749 40.907 1.00 0.00 WT3 H ATOM 41767 OH2 TIP3 4581 83.329 61.140 6.032 1.00 0.00 WT3 O ATOM 41768 H1 TIP3 4581 83.254 60.324 6.527 1.00 0.00 WT3 H ATOM 41769 H2 TIP3 4581 83.073 60.905 5.140 1.00 0.00 WT3 H ATOM 41770 OH2 TIP3 4582 85.401 60.606 3.632 1.00 0.00 WT3 O ATOM 41771 H1 TIP3 4582 84.477 60.628 3.383 1.00 0.00 WT3 H ATOM 41772 H2 TIP3 4582 85.444 61.118 4.440 1.00 0.00 WT3 H ATOM 41773 OH2 TIP3 4585 65.994 8.671 30.298 1.00 0.00 WT3 O ATOM 41774 H1 TIP3 4585 65.201 8.944 30.759 1.00 0.00 WT3 H ATOM 41775 H2 TIP3 4585 66.597 8.407 30.993 1.00 0.00 WT3 H ATOM 41776 OH2 TIP3 4586 70.874 13.989 63.771 1.00 0.00 WT3 O ATOM 41777 H1 TIP3 4586 69.980 14.040 64.110 1.00 0.00 WT3 H ATOM 41778 H2 TIP3 4586 71.405 13.751 64.530 1.00 0.00 WT3 H ATOM 41779 OH2 TIP3 4587 38.526 83.426 1.896 1.00 0.00 WT3 O ATOM 41780 H1 TIP3 4587 38.686 83.575 0.964 1.00 0.00 WT3 H ATOM 41781 H2 TIP3 4587 37.676 82.987 1.926 1.00 0.00 WT3 H ATOM 41782 OH2 TIP3 4588 42.468 76.953 61.943 1.00 0.00 WT3 O ATOM 41783 H1 TIP3 4588 43.150 76.353 62.243 1.00 0.00 WT3 H ATOM 41784 H2 TIP3 4588 42.064 77.280 62.747 1.00 0.00 WT3 H ATOM 41785 OH2 TIP3 4592 25.590 32.009 52.230 1.00 0.00 WT3 O ATOM 41786 H1 TIP3 4592 25.929 31.964 51.336 1.00 0.00 WT3 H ATOM 41787 H2 TIP3 4592 26.073 32.730 52.634 1.00 0.00 WT3 H ATOM 41788 OH2 TIP3 4594 54.684 28.182 9.793 1.00 0.00 WT3 O ATOM 41789 H1 TIP3 4594 53.747 28.047 9.653 1.00 0.00 WT3 H ATOM 41790 H2 TIP3 4594 54.795 28.130 10.742 1.00 0.00 WT3 H ATOM 41791 OH2 TIP3 4596 29.825 60.603 10.307 1.00 0.00 WT3 O ATOM 41792 H1 TIP3 4596 30.762 60.775 10.390 1.00 0.00 WT3 H ATOM 41793 H2 TIP3 4596 29.407 61.301 10.812 1.00 0.00 WT3 H ATOM 41794 OH2 TIP3 4597 70.459 75.773 43.133 1.00 0.00 WT3 O ATOM 41795 H1 TIP3 4597 69.756 76.270 42.713 1.00 0.00 WT3 H ATOM 41796 H2 TIP3 4597 71.125 76.428 43.341 1.00 0.00 WT3 H ATOM 41797 OH2 TIP3 4598 38.742 85.487 13.501 1.00 0.00 WT3 O ATOM 41798 H1 TIP3 4598 38.798 84.995 14.321 1.00 0.00 WT3 H ATOM 41799 H2 TIP3 4598 37.807 85.651 13.383 1.00 0.00 WT3 H ATOM 41800 OH2 TIP3 4599 28.788 48.584 65.473 1.00 0.00 WT3 O ATOM 41801 H1 TIP3 4599 28.658 49.319 66.071 1.00 0.00 WT3 H ATOM 41802 H2 TIP3 4599 29.738 48.474 65.430 1.00 0.00 WT3 H ATOM 41803 OH2 TIP3 4600 43.654 10.832 26.726 1.00 0.00 WT3 O ATOM 41804 H1 TIP3 4600 44.559 10.526 26.788 1.00 0.00 WT3 H ATOM 41805 H2 TIP3 4600 43.316 10.761 27.619 1.00 0.00 WT3 H ATOM 41806 OH2 TIP3 4605 33.833 3.140 19.665 1.00 0.00 WT3 O ATOM 41807 H1 TIP3 4605 34.293 3.331 20.483 1.00 0.00 WT3 H ATOM 41808 H2 TIP3 4605 34.524 2.877 19.058 1.00 0.00 WT3 H ATOM 41809 OH2 TIP3 4606 61.523 89.253 26.361 1.00 0.00 WT3 O ATOM 41810 H1 TIP3 4606 60.728 89.721 26.616 1.00 0.00 WT3 H ATOM 41811 H2 TIP3 4606 61.799 88.797 27.156 1.00 0.00 WT3 H ATOM 41812 OH2 TIP3 4607 75.055 47.568 8.969 1.00 0.00 WT3 O ATOM 41813 H1 TIP3 4607 74.434 47.264 9.630 1.00 0.00 WT3 H ATOM 41814 H2 TIP3 4607 75.699 48.078 9.460 1.00 0.00 WT3 H ATOM 41815 OH2 TIP3 4610 31.219 49.123 47.566 1.00 0.00 WT3 O ATOM 41816 H1 TIP3 4610 30.804 49.743 46.965 1.00 0.00 WT3 H ATOM 41817 H2 TIP3 4610 31.586 49.671 48.260 1.00 0.00 WT3 H ATOM 41818 OH2 TIP3 4611 41.327 75.578 -13.929 1.00 0.00 WT3 O ATOM 41819 H1 TIP3 4611 40.887 74.828 -14.329 1.00 0.00 WT3 H ATOM 41820 H2 TIP3 4611 40.644 76.244 -13.853 1.00 0.00 WT3 H ATOM 41821 OH2 TIP3 4612 33.506 86.126 54.582 1.00 0.00 WT3 O ATOM 41822 H1 TIP3 4612 33.641 85.556 55.339 1.00 0.00 WT3 H ATOM 41823 H2 TIP3 4612 32.963 86.841 54.913 1.00 0.00 WT3 H ATOM 41824 OH2 TIP3 4614 63.305 73.015 28.167 1.00 0.00 WT3 O ATOM 41825 H1 TIP3 4614 62.924 72.891 29.037 1.00 0.00 WT3 H ATOM 41826 H2 TIP3 4614 62.777 72.459 27.593 1.00 0.00 WT3 H ATOM 41827 OH2 TIP3 4615 46.869 3.734 3.225 1.00 0.00 WT3 O ATOM 41828 H1 TIP3 4615 46.030 3.276 3.283 1.00 0.00 WT3 H ATOM 41829 H2 TIP3 4615 47.154 3.597 2.321 1.00 0.00 WT3 H ATOM 41830 OH2 TIP3 4616 20.416 78.748 42.874 1.00 0.00 WT3 O ATOM 41831 H1 TIP3 4616 20.499 78.198 42.095 1.00 0.00 WT3 H ATOM 41832 H2 TIP3 4616 20.467 79.644 42.541 1.00 0.00 WT3 H ATOM 41833 OH2 TIP3 4617 71.384 61.154 5.598 1.00 0.00 WT3 O ATOM 41834 H1 TIP3 4617 71.060 61.955 5.187 1.00 0.00 WT3 H ATOM 41835 H2 TIP3 4617 70.716 60.930 6.247 1.00 0.00 WT3 H ATOM 41836 OH2 TIP3 4619 47.965 70.536 45.473 1.00 0.00 WT3 O ATOM 41837 H1 TIP3 4619 47.234 71.045 45.121 1.00 0.00 WT3 H ATOM 41838 H2 TIP3 4619 48.546 70.402 44.725 1.00 0.00 WT3 H ATOM 41839 OH2 TIP3 4620 73.311 23.131 67.211 1.00 0.00 WT3 O ATOM 41840 H1 TIP3 4620 73.984 22.923 66.562 1.00 0.00 WT3 H ATOM 41841 H2 TIP3 4620 72.483 22.979 66.755 1.00 0.00 WT3 H ATOM 41842 OH2 TIP3 4624 35.383 63.962 51.292 1.00 0.00 WT3 O ATOM 41843 H1 TIP3 4624 35.234 64.565 50.563 1.00 0.00 WT3 H ATOM 41844 H2 TIP3 4624 36.318 63.764 51.251 1.00 0.00 WT3 H ATOM 41845 OH2 TIP3 4625 47.730 16.566 46.094 1.00 0.00 WT3 O ATOM 41846 H1 TIP3 4625 48.533 16.187 45.737 1.00 0.00 WT3 H ATOM 41847 H2 TIP3 4625 48.005 16.987 46.909 1.00 0.00 WT3 H ATOM 41848 OH2 TIP3 4626 22.687 91.945 34.718 1.00 0.00 WT3 O ATOM 41849 H1 TIP3 4626 22.365 91.925 33.817 1.00 0.00 WT3 H ATOM 41850 H2 TIP3 4626 22.319 91.159 35.122 1.00 0.00 WT3 H ATOM 41851 OH2 TIP3 4628 25.886 95.941 41.532 1.00 0.00 WT3 O ATOM 41852 H1 TIP3 4628 25.757 95.126 41.047 1.00 0.00 WT3 H ATOM 41853 H2 TIP3 4628 25.018 96.344 41.558 1.00 0.00 WT3 H ATOM 41854 OH2 TIP3 4630 81.095 54.323 44.163 1.00 0.00 WT3 O ATOM 41855 H1 TIP3 4630 80.238 54.419 44.577 1.00 0.00 WT3 H ATOM 41856 H2 TIP3 4630 81.018 54.802 43.338 1.00 0.00 WT3 H ATOM 41857 OH2 TIP3 4631 37.418 17.340 48.207 1.00 0.00 WT3 O ATOM 41858 H1 TIP3 4631 37.782 16.455 48.174 1.00 0.00 WT3 H ATOM 41859 H2 TIP3 4631 37.961 17.846 47.602 1.00 0.00 WT3 H ATOM 41860 OH2 TIP3 4638 51.915 90.801 47.513 1.00 0.00 WT3 O ATOM 41861 H1 TIP3 4638 52.335 90.879 46.656 1.00 0.00 WT3 H ATOM 41862 H2 TIP3 4638 51.764 89.862 47.622 1.00 0.00 WT3 H ATOM 41863 OH2 TIP3 4639 64.830 57.992 17.343 1.00 0.00 WT3 O ATOM 41864 H1 TIP3 4639 63.882 58.052 17.220 1.00 0.00 WT3 H ATOM 41865 H2 TIP3 4639 65.078 57.179 16.902 1.00 0.00 WT3 H ATOM 41866 OH2 TIP3 4644 40.000 40.846 57.504 1.00 0.00 WT3 O ATOM 41867 H1 TIP3 4644 40.102 40.270 58.262 1.00 0.00 WT3 H ATOM 41868 H2 TIP3 4644 40.687 41.504 57.609 1.00 0.00 WT3 H ATOM 41869 OH2 TIP3 4649 56.575 80.509 -8.271 1.00 0.00 WT3 O ATOM 41870 H1 TIP3 4649 56.282 79.624 -8.487 1.00 0.00 WT3 H ATOM 41871 H2 TIP3 4649 56.801 80.468 -7.342 1.00 0.00 WT3 H ATOM 41872 OH2 TIP3 4654 85.028 19.698 -1.137 1.00 0.00 WT3 O ATOM 41873 H1 TIP3 4654 85.109 18.802 -0.811 1.00 0.00 WT3 H ATOM 41874 H2 TIP3 4654 85.688 20.191 -0.650 1.00 0.00 WT3 H ATOM 41875 OH2 TIP3 4656 39.322 18.185 46.607 1.00 0.00 WT3 O ATOM 41876 H1 TIP3 4656 39.975 18.682 46.115 1.00 0.00 WT3 H ATOM 41877 H2 TIP3 4656 39.692 17.304 46.674 1.00 0.00 WT3 H ATOM 41878 OH2 TIP3 4657 25.145 61.997 58.481 1.00 0.00 WT3 O ATOM 41879 H1 TIP3 4657 25.865 62.522 58.132 1.00 0.00 WT3 H ATOM 41880 H2 TIP3 4657 25.477 61.655 59.311 1.00 0.00 WT3 H ATOM 41881 OH2 TIP3 4662 81.387 55.623 4.705 1.00 0.00 WT3 O ATOM 41882 H1 TIP3 4662 81.687 54.736 4.503 1.00 0.00 WT3 H ATOM 41883 H2 TIP3 4662 81.462 55.691 5.657 1.00 0.00 WT3 H ATOM 41884 OH2 TIP3 4663 43.096 91.998 37.452 1.00 0.00 WT3 O ATOM 41885 H1 TIP3 4663 42.795 91.528 38.230 1.00 0.00 WT3 H ATOM 41886 H2 TIP3 4663 42.330 92.031 36.880 1.00 0.00 WT3 H ATOM 41887 OH2 TIP3 4695 50.474 10.558 61.394 1.00 0.00 WT3 O ATOM 41888 H1 TIP3 4695 50.912 9.780 61.049 1.00 0.00 WT3 H ATOM 41889 H2 TIP3 4695 49.897 10.224 62.081 1.00 0.00 WT3 H ATOM 41890 OH2 TIP3 4701 59.094 9.760 29.721 1.00 0.00 WT3 O ATOM 41891 H1 TIP3 4701 58.406 10.360 30.006 1.00 0.00 WT3 H ATOM 41892 H2 TIP3 4701 59.740 10.322 29.293 1.00 0.00 WT3 H ATOM 41893 OH2 TIP3 4719 69.152 43.275 4.988 1.00 0.00 WT3 O ATOM 41894 H1 TIP3 4719 68.344 43.681 5.303 1.00 0.00 WT3 H ATOM 41895 H2 TIP3 4719 69.058 43.262 4.035 1.00 0.00 WT3 H ATOM 41896 OH2 TIP3 4725 49.845 11.942 58.365 1.00 0.00 WT3 O ATOM 41897 H1 TIP3 4725 50.630 11.434 58.568 1.00 0.00 WT3 H ATOM 41898 H2 TIP3 4725 49.604 11.668 57.480 1.00 0.00 WT3 H ATOM 41899 OH2 TIP3 4797 46.373 13.098 11.982 1.00 0.00 WT3 O ATOM 41900 H1 TIP3 4797 45.901 13.809 11.549 1.00 0.00 WT3 H ATOM 41901 H2 TIP3 4797 45.756 12.366 11.983 1.00 0.00 WT3 H ATOM 41902 OH2 TIP3 4807 39.156 77.496 -17.690 1.00 0.00 WT3 O ATOM 41903 H1 TIP3 4807 39.864 77.747 -17.096 1.00 0.00 WT3 H ATOM 41904 H2 TIP3 4807 39.555 77.517 -18.560 1.00 0.00 WT3 H ATOM 41905 OH2 TIP3 4808 21.655 63.047 44.898 1.00 0.00 WT3 O ATOM 41906 H1 TIP3 4808 22.612 63.057 44.922 1.00 0.00 WT3 H ATOM 41907 H2 TIP3 4808 21.437 62.303 44.337 1.00 0.00 WT3 H ATOM 41908 OH2 TIP3 4809 82.465 15.978 51.809 1.00 0.00 WT3 O ATOM 41909 H1 TIP3 4809 82.673 15.047 51.885 1.00 0.00 WT3 H ATOM 41910 H2 TIP3 4809 81.592 15.998 51.418 1.00 0.00 WT3 H ATOM 41911 OH2 TIP3 4814 87.228 14.849 1.480 1.00 0.00 WT3 O ATOM 41912 H1 TIP3 4814 87.766 14.058 1.432 1.00 0.00 WT3 H ATOM 41913 H2 TIP3 4814 87.776 15.484 1.941 1.00 0.00 WT3 H ATOM 41914 OH2 TIP3 4834 66.538 78.185 23.506 1.00 0.00 WT3 O ATOM 41915 H1 TIP3 4834 66.650 77.236 23.451 1.00 0.00 WT3 H ATOM 41916 H2 TIP3 4834 65.598 78.307 23.641 1.00 0.00 WT3 H ATOM 41917 OH2 TIP3 4835 60.387 18.993 23.217 1.00 0.00 WT3 O ATOM 41918 H1 TIP3 4835 61.094 19.636 23.169 1.00 0.00 WT3 H ATOM 41919 H2 TIP3 4835 59.713 19.415 23.750 1.00 0.00 WT3 H ATOM 41920 OH2 TIP3 4836 80.496 78.986 -13.467 1.00 0.00 WT3 O ATOM 41921 H1 TIP3 4836 79.541 78.948 -13.520 1.00 0.00 WT3 H ATOM 41922 H2 TIP3 4836 80.797 78.257 -14.009 1.00 0.00 WT3 H ATOM 41923 OH2 TIP3 4844 75.457 67.738 22.636 1.00 0.00 WT3 O ATOM 41924 H1 TIP3 4844 75.125 67.878 23.522 1.00 0.00 WT3 H ATOM 41925 H2 TIP3 4844 75.118 68.479 22.133 1.00 0.00 WT3 H ATOM 41926 OH2 TIP3 4845 70.802 0.831 35.276 1.00 0.00 WT3 O ATOM 41927 H1 TIP3 4845 69.886 1.082 35.159 1.00 0.00 WT3 H ATOM 41928 H2 TIP3 4845 70.820 -0.107 35.085 1.00 0.00 WT3 H ATOM 41929 OH2 TIP3 4847 69.796 5.661 58.171 1.00 0.00 WT3 O ATOM 41930 H1 TIP3 4847 69.543 6.046 57.331 1.00 0.00 WT3 H ATOM 41931 H2 TIP3 4847 70.734 5.493 58.085 1.00 0.00 WT3 H ATOM 41932 OH2 TIP3 4849 88.787 49.822 5.500 1.00 0.00 WT3 O ATOM 41933 H1 TIP3 4849 88.001 49.714 6.035 1.00 0.00 WT3 H ATOM 41934 H2 TIP3 4849 89.511 49.766 6.123 1.00 0.00 WT3 H ATOM 41935 OH2 TIP3 4851 34.143 49.798 27.428 1.00 0.00 WT3 O ATOM 41936 H1 TIP3 4851 34.484 50.186 28.234 1.00 0.00 WT3 H ATOM 41937 H2 TIP3 4851 34.809 49.991 26.768 1.00 0.00 WT3 H ATOM 41938 OH2 TIP3 4853 48.362 85.037 -10.641 1.00 0.00 WT3 O ATOM 41939 H1 TIP3 4853 47.456 84.983 -10.945 1.00 0.00 WT3 H ATOM 41940 H2 TIP3 4853 48.305 85.480 -9.795 1.00 0.00 WT3 H ATOM 41941 OH2 TIP3 4855 47.358 12.676 9.181 1.00 0.00 WT3 O ATOM 41942 H1 TIP3 4855 48.184 13.008 8.828 1.00 0.00 WT3 H ATOM 41943 H2 TIP3 4855 47.447 12.769 10.129 1.00 0.00 WT3 H ATOM 41944 OH2 TIP3 4857 88.639 59.636 24.306 1.00 0.00 WT3 O ATOM 41945 H1 TIP3 4857 88.821 59.083 25.065 1.00 0.00 WT3 H ATOM 41946 H2 TIP3 4857 87.786 59.338 23.991 1.00 0.00 WT3 H ATOM 41947 OH2 TIP3 4863 48.997 63.166 3.822 1.00 0.00 WT3 O ATOM 41948 H1 TIP3 4863 49.915 63.318 3.595 1.00 0.00 WT3 H ATOM 41949 H2 TIP3 4863 49.012 62.969 4.759 1.00 0.00 WT3 H ATOM 41950 OH2 TIP3 4864 56.888 61.191 -6.807 1.00 0.00 WT3 O ATOM 41951 H1 TIP3 4864 56.784 60.240 -6.782 1.00 0.00 WT3 H ATOM 41952 H2 TIP3 4864 57.090 61.434 -5.903 1.00 0.00 WT3 H ATOM 41953 OH2 TIP3 4870 48.304 63.886 60.389 1.00 0.00 WT3 O ATOM 41954 H1 TIP3 4870 48.329 64.060 59.448 1.00 0.00 WT3 H ATOM 41955 H2 TIP3 4870 48.245 64.753 60.792 1.00 0.00 WT3 H ATOM 41956 OH2 TIP3 4872 49.068 14.468 57.092 1.00 0.00 WT3 O ATOM 41957 H1 TIP3 4872 49.313 13.828 57.760 1.00 0.00 WT3 H ATOM 41958 H2 TIP3 4872 49.770 14.418 56.442 1.00 0.00 WT3 H ATOM 41959 OH2 TIP3 4873 81.887 6.846 8.198 1.00 0.00 WT3 O ATOM 41960 H1 TIP3 4873 82.524 6.132 8.204 1.00 0.00 WT3 H ATOM 41961 H2 TIP3 4873 81.268 6.622 8.893 1.00 0.00 WT3 H ATOM 41962 OH2 TIP3 4875 83.336 26.333 65.230 1.00 0.00 WT3 O ATOM 41963 H1 TIP3 4875 84.169 25.936 64.977 1.00 0.00 WT3 H ATOM 41964 H2 TIP3 4875 82.708 26.003 64.587 1.00 0.00 WT3 H ATOM 41965 OH2 TIP3 4877 35.902 68.948 -15.305 1.00 0.00 WT3 O ATOM 41966 H1 TIP3 4877 36.358 69.760 -15.524 1.00 0.00 WT3 H ATOM 41967 H2 TIP3 4877 36.359 68.617 -14.531 1.00 0.00 WT3 H ATOM 41968 OH2 TIP3 4881 63.516 82.560 10.601 1.00 0.00 WT3 O ATOM 41969 H1 TIP3 4881 62.678 82.221 10.286 1.00 0.00 WT3 H ATOM 41970 H2 TIP3 4881 63.813 81.911 11.238 1.00 0.00 WT3 H ATOM 41971 OH2 TIP3 4888 86.319 86.787 -3.105 1.00 0.00 WT3 O ATOM 41972 H1 TIP3 4888 87.043 86.285 -2.732 1.00 0.00 WT3 H ATOM 41973 H2 TIP3 4888 86.690 87.652 -3.278 1.00 0.00 WT3 H ATOM 41974 OH2 TIP3 4893 57.770 30.431 2.113 1.00 0.00 WT3 O ATOM 41975 H1 TIP3 4893 57.390 31.186 1.664 1.00 0.00 WT3 H ATOM 41976 H2 TIP3 4893 57.018 29.884 2.341 1.00 0.00 WT3 H ATOM 41977 OH2 TIP3 4894 73.972 67.863 8.949 1.00 0.00 WT3 O ATOM 41978 H1 TIP3 4894 74.212 67.604 9.839 1.00 0.00 WT3 H ATOM 41979 H2 TIP3 4894 73.030 67.703 8.899 1.00 0.00 WT3 H ATOM 41980 OH2 TIP3 4895 24.750 8.877 41.087 1.00 0.00 WT3 O ATOM 41981 H1 TIP3 4895 24.664 8.821 40.135 1.00 0.00 WT3 H ATOM 41982 H2 TIP3 4895 23.857 9.017 41.401 1.00 0.00 WT3 H ATOM 41983 OH2 TIP3 4896 72.389 6.556 -8.303 1.00 0.00 WT3 O ATOM 41984 H1 TIP3 4896 71.631 6.499 -8.884 1.00 0.00 WT3 H ATOM 41985 H2 TIP3 4896 73.116 6.211 -8.822 1.00 0.00 WT3 H ATOM 41986 OH2 TIP3 4897 33.856 58.728 20.107 1.00 0.00 WT3 O ATOM 41987 H1 TIP3 4897 34.127 59.609 20.366 1.00 0.00 WT3 H ATOM 41988 H2 TIP3 4897 34.604 58.379 19.623 1.00 0.00 WT3 H ATOM 41989 OH2 TIP3 4898 61.158 59.630 32.716 1.00 0.00 WT3 O ATOM 41990 H1 TIP3 4898 61.229 58.975 32.022 1.00 0.00 WT3 H ATOM 41991 H2 TIP3 4898 60.232 59.874 32.722 1.00 0.00 WT3 H ATOM 41992 OH2 TIP3 4899 41.501 34.472 -3.732 1.00 0.00 WT3 O ATOM 41993 H1 TIP3 4899 41.390 35.066 -2.990 1.00 0.00 WT3 H ATOM 41994 H2 TIP3 4899 41.678 33.620 -3.333 1.00 0.00 WT3 H ATOM 41995 OH2 TIP3 4902 86.261 77.514 43.473 1.00 0.00 WT3 O ATOM 41996 H1 TIP3 4902 86.611 76.716 43.077 1.00 0.00 WT3 H ATOM 41997 H2 TIP3 4902 86.660 77.544 44.343 1.00 0.00 WT3 H ATOM 41998 OH2 TIP3 4905 50.813 3.785 23.802 1.00 0.00 WT3 O ATOM 41999 H1 TIP3 4905 50.961 3.836 22.858 1.00 0.00 WT3 H ATOM 42000 H2 TIP3 4905 51.063 4.648 24.131 1.00 0.00 WT3 H ATOM 42001 OH2 TIP3 4906 84.866 94.497 8.384 1.00 0.00 WT3 O ATOM 42002 H1 TIP3 4906 84.386 93.707 8.135 1.00 0.00 WT3 H ATOM 42003 H2 TIP3 4906 85.092 94.913 7.552 1.00 0.00 WT3 H ATOM 42004 OH2 TIP3 4909 41.009 53.411 -19.655 1.00 0.00 WT3 O ATOM 42005 H1 TIP3 4909 41.741 52.882 -19.337 1.00 0.00 WT3 H ATOM 42006 H2 TIP3 4909 41.422 54.176 -20.056 1.00 0.00 WT3 H ATOM 42007 OH2 TIP3 4910 24.214 28.970 57.783 1.00 0.00 WT3 O ATOM 42008 H1 TIP3 4910 24.828 28.237 57.735 1.00 0.00 WT3 H ATOM 42009 H2 TIP3 4910 23.916 28.973 58.693 1.00 0.00 WT3 H ATOM 42010 OH2 TIP3 4913 49.014 48.795 52.617 1.00 0.00 WT3 O ATOM 42011 H1 TIP3 4913 49.866 49.194 52.794 1.00 0.00 WT3 H ATOM 42012 H2 TIP3 4913 49.216 48.029 52.079 1.00 0.00 WT3 H ATOM 42013 OH2 TIP3 4914 21.851 75.749 -15.229 1.00 0.00 WT3 O ATOM 42014 H1 TIP3 4914 20.969 75.548 -14.915 1.00 0.00 WT3 H ATOM 42015 H2 TIP3 4914 22.427 75.478 -14.514 1.00 0.00 WT3 H ATOM 42016 OH2 TIP3 4915 25.434 37.867 2.804 1.00 0.00 WT3 O ATOM 42017 H1 TIP3 4915 25.766 37.826 3.701 1.00 0.00 WT3 H ATOM 42018 H2 TIP3 4915 26.166 38.215 2.293 1.00 0.00 WT3 H ATOM 42019 OH2 TIP3 4916 85.770 25.633 -9.172 1.00 0.00 WT3 O ATOM 42020 H1 TIP3 4916 85.146 25.189 -8.599 1.00 0.00 WT3 H ATOM 42021 H2 TIP3 4916 85.716 25.156 -10.001 1.00 0.00 WT3 H ATOM 42022 OH2 TIP3 4917 63.395 72.110 -8.038 1.00 0.00 WT3 O ATOM 42023 H1 TIP3 4917 63.972 72.707 -8.514 1.00 0.00 WT3 H ATOM 42024 H2 TIP3 4917 63.987 71.480 -7.626 1.00 0.00 WT3 H ATOM 42025 OH2 TIP3 4919 59.219 80.216 15.872 1.00 0.00 WT3 O ATOM 42026 H1 TIP3 4919 58.850 79.521 16.417 1.00 0.00 WT3 H ATOM 42027 H2 TIP3 4919 59.554 80.859 16.496 1.00 0.00 WT3 H ATOM 42028 OH2 TIP3 4920 60.111 8.484 -10.679 1.00 0.00 WT3 O ATOM 42029 H1 TIP3 4920 59.957 9.428 -10.630 1.00 0.00 WT3 H ATOM 42030 H2 TIP3 4920 59.629 8.123 -9.935 1.00 0.00 WT3 H ATOM 42031 OH2 TIP3 4922 35.707 87.354 36.359 1.00 0.00 WT3 O ATOM 42032 H1 TIP3 4922 35.326 86.524 36.645 1.00 0.00 WT3 H ATOM 42033 H2 TIP3 4922 36.362 87.560 37.026 1.00 0.00 WT3 H ATOM 42034 OH2 TIP3 4924 25.298 63.271 -1.661 1.00 0.00 WT3 O ATOM 42035 H1 TIP3 4924 25.939 63.026 -2.328 1.00 0.00 WT3 H ATOM 42036 H2 TIP3 4924 25.709 63.026 -0.832 1.00 0.00 WT3 H ATOM 42037 OH2 TIP3 4928 37.246 67.614 20.947 1.00 0.00 WT3 O ATOM 42038 H1 TIP3 4928 37.996 67.189 20.531 1.00 0.00 WT3 H ATOM 42039 H2 TIP3 4928 37.623 68.103 21.679 1.00 0.00 WT3 H ATOM 42040 OH2 TIP3 4929 36.887 71.891 22.012 1.00 0.00 WT3 O ATOM 42041 H1 TIP3 4929 37.665 71.373 21.807 1.00 0.00 WT3 H ATOM 42042 H2 TIP3 4929 36.603 71.569 22.868 1.00 0.00 WT3 H ATOM 42043 OH2 TIP3 4931 42.760 59.483 42.940 1.00 0.00 WT3 O ATOM 42044 H1 TIP3 4931 42.992 60.394 43.122 1.00 0.00 WT3 H ATOM 42045 H2 TIP3 4931 43.426 59.185 42.320 1.00 0.00 WT3 H ATOM 42046 OH2 TIP3 4933 71.031 62.967 27.522 1.00 0.00 WT3 O ATOM 42047 H1 TIP3 4933 70.780 63.235 28.405 1.00 0.00 WT3 H ATOM 42048 H2 TIP3 4933 71.021 63.777 27.013 1.00 0.00 WT3 H ATOM 42049 OH2 TIP3 4934 40.261 3.574 62.109 1.00 0.00 WT3 O ATOM 42050 H1 TIP3 4934 41.061 4.081 62.248 1.00 0.00 WT3 H ATOM 42051 H2 TIP3 4934 39.747 4.099 61.496 1.00 0.00 WT3 H ATOM 42052 OH2 TIP3 4935 82.434 33.368 1.335 1.00 0.00 WT3 O ATOM 42053 H1 TIP3 4935 83.237 33.855 1.520 1.00 0.00 WT3 H ATOM 42054 H2 TIP3 4935 82.405 32.689 2.009 1.00 0.00 WT3 H ATOM 42055 OH2 TIP3 4936 69.929 91.120 -20.140 1.00 0.00 WT3 O ATOM 42056 H1 TIP3 4936 70.734 90.686 -19.856 1.00 0.00 WT3 H ATOM 42057 H2 TIP3 4936 69.610 91.569 -19.357 1.00 0.00 WT3 H ATOM 42058 OH2 TIP3 4937 83.689 62.408 -5.008 1.00 0.00 WT3 O ATOM 42059 H1 TIP3 4937 84.382 61.815 -4.717 1.00 0.00 WT3 H ATOM 42060 H2 TIP3 4937 84.130 63.248 -5.133 1.00 0.00 WT3 H ATOM 42061 OH2 TIP3 4938 23.552 94.554 23.312 1.00 0.00 WT3 O ATOM 42062 H1 TIP3 4938 23.746 95.440 23.620 1.00 0.00 WT3 H ATOM 42063 H2 TIP3 4938 24.358 94.063 23.473 1.00 0.00 WT3 H ATOM 42064 OH2 TIP3 4939 41.310 45.226 -1.318 1.00 0.00 WT3 O ATOM 42065 H1 TIP3 4939 41.503 46.120 -1.035 1.00 0.00 WT3 H ATOM 42066 H2 TIP3 4939 41.354 44.705 -0.517 1.00 0.00 WT3 H ATOM 42067 OH2 TIP3 4940 33.908 7.406 62.942 1.00 0.00 WT3 O ATOM 42068 H1 TIP3 4940 33.785 7.765 63.821 1.00 0.00 WT3 H ATOM 42069 H2 TIP3 4940 33.151 7.719 62.447 1.00 0.00 WT3 H ATOM 42070 OH2 TIP3 4942 82.356 68.747 -10.156 1.00 0.00 WT3 O ATOM 42071 H1 TIP3 4942 81.516 68.905 -9.724 1.00 0.00 WT3 H ATOM 42072 H2 TIP3 4942 82.142 68.701 -11.088 1.00 0.00 WT3 H ATOM 42073 OH2 TIP3 4943 22.572 44.917 -17.653 1.00 0.00 WT3 O ATOM 42074 H1 TIP3 4943 22.080 44.146 -17.370 1.00 0.00 WT3 H ATOM 42075 H2 TIP3 4943 21.978 45.375 -18.248 1.00 0.00 WT3 H ATOM 42076 OH2 TIP3 4944 48.809 17.149 42.315 1.00 0.00 WT3 O ATOM 42077 H1 TIP3 4944 48.010 17.078 42.837 1.00 0.00 WT3 H ATOM 42078 H2 TIP3 4944 48.527 17.565 41.500 1.00 0.00 WT3 H ATOM 42079 OH2 TIP3 4945 22.959 68.585 18.376 1.00 0.00 WT3 O ATOM 42080 H1 TIP3 4945 22.808 69.242 19.056 1.00 0.00 WT3 H ATOM 42081 H2 TIP3 4945 22.663 67.763 18.767 1.00 0.00 WT3 H ATOM 42082 OH2 TIP3 4946 43.424 68.284 65.895 1.00 0.00 WT3 O ATOM 42083 H1 TIP3 4946 43.989 68.835 66.437 1.00 0.00 WT3 H ATOM 42084 H2 TIP3 4946 43.612 67.391 66.185 1.00 0.00 WT3 H ATOM 42085 OH2 TIP3 4949 28.485 70.436 -12.617 1.00 0.00 WT3 O ATOM 42086 H1 TIP3 4949 29.338 70.551 -12.198 1.00 0.00 WT3 H ATOM 42087 H2 TIP3 4949 28.439 69.501 -12.814 1.00 0.00 WT3 H ATOM 42088 OH2 TIP3 4950 78.603 64.987 56.300 1.00 0.00 WT3 O ATOM 42089 H1 TIP3 4950 79.404 65.392 56.633 1.00 0.00 WT3 H ATOM 42090 H2 TIP3 4950 78.811 64.750 55.396 1.00 0.00 WT3 H ATOM 42091 OH2 TIP3 4953 57.226 64.700 18.480 1.00 0.00 WT3 O ATOM 42092 H1 TIP3 4953 56.779 64.989 17.685 1.00 0.00 WT3 H ATOM 42093 H2 TIP3 4953 58.008 64.248 18.165 1.00 0.00 WT3 H ATOM 42094 OH2 TIP3 4954 71.289 92.291 11.651 1.00 0.00 WT3 O ATOM 42095 H1 TIP3 4954 71.597 93.033 12.172 1.00 0.00 WT3 H ATOM 42096 H2 TIP3 4954 71.216 92.636 10.761 1.00 0.00 WT3 H ATOM 42097 OH2 TIP3 4955 55.888 77.822 14.660 1.00 0.00 WT3 O ATOM 42098 H1 TIP3 4955 56.448 78.047 15.403 1.00 0.00 WT3 H ATOM 42099 H2 TIP3 4955 55.994 76.876 14.557 1.00 0.00 WT3 H ATOM 42100 OH2 TIP3 4956 33.245 15.715 48.729 1.00 0.00 WT3 O ATOM 42101 H1 TIP3 4956 33.744 16.398 49.177 1.00 0.00 WT3 H ATOM 42102 H2 TIP3 4956 33.905 15.209 48.255 1.00 0.00 WT3 H ATOM 42103 OH2 TIP3 4957 47.758 81.644 9.938 1.00 0.00 WT3 O ATOM 42104 H1 TIP3 4957 47.740 80.736 10.241 1.00 0.00 WT3 H ATOM 42105 H2 TIP3 4957 47.221 81.643 9.146 1.00 0.00 WT3 H ATOM 42106 OH2 TIP3 4958 74.612 92.079 -8.053 1.00 0.00 WT3 O ATOM 42107 H1 TIP3 4958 73.871 92.685 -8.049 1.00 0.00 WT3 H ATOM 42108 H2 TIP3 4958 74.211 91.210 -8.081 1.00 0.00 WT3 H ATOM 42109 OH2 TIP3 4959 29.561 3.932 18.734 1.00 0.00 WT3 O ATOM 42110 H1 TIP3 4959 29.852 4.532 19.421 1.00 0.00 WT3 H ATOM 42111 H2 TIP3 4959 29.131 4.494 18.090 1.00 0.00 WT3 H ATOM 42112 OH2 TIP3 4960 80.319 68.229 4.718 1.00 0.00 WT3 O ATOM 42113 H1 TIP3 4960 80.693 67.825 5.502 1.00 0.00 WT3 H ATOM 42114 H2 TIP3 4960 79.486 67.776 4.589 1.00 0.00 WT3 H ATOM 42115 OH2 TIP3 4961 21.139 26.939 -0.974 1.00 0.00 WT3 O ATOM 42116 H1 TIP3 4961 21.834 26.367 -1.299 1.00 0.00 WT3 H ATOM 42117 H2 TIP3 4961 20.718 27.279 -1.763 1.00 0.00 WT3 H ATOM 42118 OH2 TIP3 4962 27.414 19.354 60.467 1.00 0.00 WT3 O ATOM 42119 H1 TIP3 4962 27.534 18.859 59.657 1.00 0.00 WT3 H ATOM 42120 H2 TIP3 4962 28.192 19.909 60.527 1.00 0.00 WT3 H ATOM 42121 OH2 TIP3 4963 34.463 5.888 -16.946 1.00 0.00 WT3 O ATOM 42122 H1 TIP3 4963 34.209 6.662 -17.449 1.00 0.00 WT3 H ATOM 42123 H2 TIP3 4963 33.663 5.627 -16.489 1.00 0.00 WT3 H ATOM 42124 OH2 TIP3 4964 37.818 46.959 -11.391 1.00 0.00 WT3 O ATOM 42125 H1 TIP3 4964 37.246 46.411 -10.855 1.00 0.00 WT3 H ATOM 42126 H2 TIP3 4964 38.344 47.448 -10.758 1.00 0.00 WT3 H ATOM 42127 OH2 TIP3 4965 41.769 73.862 0.217 1.00 0.00 WT3 O ATOM 42128 H1 TIP3 4965 42.519 74.232 0.683 1.00 0.00 WT3 H ATOM 42129 H2 TIP3 4965 41.361 73.272 0.851 1.00 0.00 WT3 H ATOM 42130 OH2 TIP3 4967 89.063 70.300 12.358 1.00 0.00 WT3 O ATOM 42131 H1 TIP3 4967 89.017 69.347 12.432 1.00 0.00 WT3 H ATOM 42132 H2 TIP3 4967 89.401 70.590 13.206 1.00 0.00 WT3 H ATOM 42133 OH2 TIP3 4968 43.206 30.894 8.012 1.00 0.00 WT3 O ATOM 42134 H1 TIP3 4968 43.943 30.322 7.799 1.00 0.00 WT3 H ATOM 42135 H2 TIP3 4968 42.926 30.610 8.882 1.00 0.00 WT3 H ATOM 42136 OH2 TIP3 4970 72.715 70.877 3.373 1.00 0.00 WT3 O ATOM 42137 H1 TIP3 4970 73.310 71.407 2.843 1.00 0.00 WT3 H ATOM 42138 H2 TIP3 4970 72.325 71.498 3.989 1.00 0.00 WT3 H ATOM 42139 OH2 TIP3 4971 56.051 36.889 42.810 1.00 0.00 WT3 O ATOM 42140 H1 TIP3 4971 56.488 37.741 42.813 1.00 0.00 WT3 H ATOM 42141 H2 TIP3 4971 55.143 37.086 42.582 1.00 0.00 WT3 H ATOM 42142 OH2 TIP3 4972 50.265 83.583 0.137 1.00 0.00 WT3 O ATOM 42143 H1 TIP3 4972 50.662 82.748 -0.111 1.00 0.00 WT3 H ATOM 42144 H2 TIP3 4972 49.659 83.360 0.844 1.00 0.00 WT3 H ATOM 42145 OH2 TIP3 4973 79.103 62.694 49.421 1.00 0.00 WT3 O ATOM 42146 H1 TIP3 4973 78.342 62.645 50.000 1.00 0.00 WT3 H ATOM 42147 H2 TIP3 4973 78.759 62.477 48.554 1.00 0.00 WT3 H ATOM 42148 OH2 TIP3 4974 54.996 79.077 29.734 1.00 0.00 WT3 O ATOM 42149 H1 TIP3 4974 54.995 78.313 29.157 1.00 0.00 WT3 H ATOM 42150 H2 TIP3 4974 54.274 79.620 29.415 1.00 0.00 WT3 H ATOM 42151 OH2 TIP3 4975 77.557 85.999 13.638 1.00 0.00 WT3 O ATOM 42152 H1 TIP3 4975 77.595 86.439 14.487 1.00 0.00 WT3 H ATOM 42153 H2 TIP3 4975 78.199 86.460 13.099 1.00 0.00 WT3 H ATOM 42154 OH2 TIP3 4976 67.167 79.934 -1.737 1.00 0.00 WT3 O ATOM 42155 H1 TIP3 4976 66.953 79.016 -1.907 1.00 0.00 WT3 H ATOM 42156 H2 TIP3 4976 66.609 80.425 -2.340 1.00 0.00 WT3 H ATOM 42157 OH2 TIP3 4977 74.237 13.771 52.478 1.00 0.00 WT3 O ATOM 42158 H1 TIP3 4977 74.527 12.912 52.784 1.00 0.00 WT3 H ATOM 42159 H2 TIP3 4977 73.295 13.670 52.338 1.00 0.00 WT3 H ATOM 42160 OH2 TIP3 4978 63.736 12.697 20.765 1.00 0.00 WT3 O ATOM 42161 H1 TIP3 4978 63.893 11.772 20.954 1.00 0.00 WT3 H ATOM 42162 H2 TIP3 4978 63.201 13.004 21.497 1.00 0.00 WT3 H ATOM 42163 OH2 TIP3 4979 37.990 68.826 64.485 1.00 0.00 WT3 O ATOM 42164 H1 TIP3 4979 38.426 68.601 63.663 1.00 0.00 WT3 H ATOM 42165 H2 TIP3 4979 38.703 68.936 65.114 1.00 0.00 WT3 H ATOM 42166 OH2 TIP3 4980 67.901 24.012 31.949 1.00 0.00 WT3 O ATOM 42167 H1 TIP3 4980 68.462 24.485 32.564 1.00 0.00 WT3 H ATOM 42168 H2 TIP3 4980 68.315 24.145 31.096 1.00 0.00 WT3 H ATOM 42169 OH2 TIP3 4981 80.794 82.554 26.914 1.00 0.00 WT3 O ATOM 42170 H1 TIP3 4981 80.157 83.269 26.890 1.00 0.00 WT3 H ATOM 42171 H2 TIP3 4981 80.350 81.853 27.391 1.00 0.00 WT3 H ATOM 42172 OH2 TIP3 4982 21.294 54.450 56.657 1.00 0.00 WT3 O ATOM 42173 H1 TIP3 4982 21.034 55.357 56.819 1.00 0.00 WT3 H ATOM 42174 H2 TIP3 4982 20.468 53.981 56.538 1.00 0.00 WT3 H ATOM 42175 OH2 TIP3 4983 30.076 8.890 -8.980 1.00 0.00 WT3 O ATOM 42176 H1 TIP3 4983 30.697 8.714 -9.687 1.00 0.00 WT3 H ATOM 42177 H2 TIP3 4983 29.289 8.402 -9.224 1.00 0.00 WT3 H ATOM 42178 OH2 TIP3 4985 60.610 87.132 9.331 1.00 0.00 WT3 O ATOM 42179 H1 TIP3 4985 59.745 87.536 9.396 1.00 0.00 WT3 H ATOM 42180 H2 TIP3 4985 60.788 86.804 10.213 1.00 0.00 WT3 H ATOM 42181 OH2 TIP3 4987 67.540 13.830 54.249 1.00 0.00 WT3 O ATOM 42182 H1 TIP3 4987 66.734 14.335 54.138 1.00 0.00 WT3 H ATOM 42183 H2 TIP3 4987 68.040 13.997 53.450 1.00 0.00 WT3 H ATOM 42184 OH2 TIP3 4989 66.833 89.902 -4.511 1.00 0.00 WT3 O ATOM 42185 H1 TIP3 4989 65.877 89.918 -4.464 1.00 0.00 WT3 H ATOM 42186 H2 TIP3 4989 67.061 90.674 -5.029 1.00 0.00 WT3 H ATOM 42187 OH2 TIP3 4991 21.425 24.058 43.900 1.00 0.00 WT3 O ATOM 42188 H1 TIP3 4991 22.092 23.560 43.427 1.00 0.00 WT3 H ATOM 42189 H2 TIP3 4991 21.207 23.511 44.655 1.00 0.00 WT3 H ATOM 42190 OH2 TIP3 4994 43.974 4.566 38.337 1.00 0.00 WT3 O ATOM 42191 H1 TIP3 4994 43.313 3.960 38.672 1.00 0.00 WT3 H ATOM 42192 H2 TIP3 4994 44.640 4.598 39.023 1.00 0.00 WT3 H ATOM 42193 OH2 TIP3 4995 79.500 62.279 57.091 1.00 0.00 WT3 O ATOM 42194 H1 TIP3 4995 79.875 63.154 57.193 1.00 0.00 WT3 H ATOM 42195 H2 TIP3 4995 79.127 62.279 56.210 1.00 0.00 WT3 H ATOM 42196 OH2 TIP3 4996 40.344 48.754 43.721 1.00 0.00 WT3 O ATOM 42197 H1 TIP3 4996 40.150 49.068 44.604 1.00 0.00 WT3 H ATOM 42198 H2 TIP3 4996 40.376 49.548 43.186 1.00 0.00 WT3 H ATOM 42199 OH2 TIP3 4998 54.823 83.288 45.639 1.00 0.00 WT3 O ATOM 42200 H1 TIP3 4998 53.937 83.375 45.992 1.00 0.00 WT3 H ATOM 42201 H2 TIP3 4998 54.748 83.578 44.730 1.00 0.00 WT3 H ATOM 42202 OH2 TIP3 4999 62.368 9.655 27.257 1.00 0.00 WT3 O ATOM 42203 H1 TIP3 4999 62.377 10.566 27.553 1.00 0.00 WT3 H ATOM 42204 H2 TIP3 4999 63.220 9.308 27.524 1.00 0.00 WT3 H ATOM 42205 OH2 TIP3 5000 48.097 58.336 62.270 1.00 0.00 WT3 O ATOM 42206 H1 TIP3 5000 48.985 58.033 62.457 1.00 0.00 WT3 H ATOM 42207 H2 TIP3 5000 47.884 57.948 61.421 1.00 0.00 WT3 H ATOM 42208 OH2 TIP3 5001 34.422 77.878 29.017 1.00 0.00 WT3 O ATOM 42209 H1 TIP3 5001 35.200 78.434 29.051 1.00 0.00 WT3 H ATOM 42210 H2 TIP3 5001 34.747 76.999 29.212 1.00 0.00 WT3 H ATOM 42211 OH2 TIP3 5002 46.846 16.750 55.702 1.00 0.00 WT3 O ATOM 42212 H1 TIP3 5002 46.393 15.953 55.427 1.00 0.00 WT3 H ATOM 42213 H2 TIP3 5002 46.168 17.426 55.696 1.00 0.00 WT3 H ATOM 42214 OH2 TIP3 5003 35.139 54.164 60.724 1.00 0.00 WT3 O ATOM 42215 H1 TIP3 5003 35.323 54.246 61.660 1.00 0.00 WT3 H ATOM 42216 H2 TIP3 5003 34.642 54.953 60.507 1.00 0.00 WT3 H ATOM 42217 OH2 TIP3 5004 39.286 95.445 -15.240 1.00 0.00 WT3 O ATOM 42218 H1 TIP3 5004 39.970 96.055 -15.517 1.00 0.00 WT3 H ATOM 42219 H2 TIP3 5004 39.041 94.980 -16.040 1.00 0.00 WT3 H ATOM 42220 OH2 TIP3 5005 32.851 89.534 5.947 1.00 0.00 WT3 O ATOM 42221 H1 TIP3 5005 33.427 89.327 6.683 1.00 0.00 WT3 H ATOM 42222 H2 TIP3 5005 32.630 90.458 6.067 1.00 0.00 WT3 H ATOM 42223 OH2 TIP3 5006 70.031 58.136 52.691 1.00 0.00 WT3 O ATOM 42224 H1 TIP3 5006 70.447 57.926 53.527 1.00 0.00 WT3 H ATOM 42225 H2 TIP3 5006 70.458 57.558 52.058 1.00 0.00 WT3 H ATOM 42226 OH2 TIP3 5007 44.437 45.006 -5.127 1.00 0.00 WT3 O ATOM 42227 H1 TIP3 5007 43.487 45.117 -5.094 1.00 0.00 WT3 H ATOM 42228 H2 TIP3 5007 44.787 45.830 -4.788 1.00 0.00 WT3 H ATOM 42229 OH2 TIP3 5008 54.748 3.743 -19.460 1.00 0.00 WT3 O ATOM 42230 H1 TIP3 5008 54.228 2.976 -19.700 1.00 0.00 WT3 H ATOM 42231 H2 TIP3 5008 54.256 4.485 -19.810 1.00 0.00 WT3 H ATOM 42232 OH2 TIP3 5009 38.535 81.408 8.884 1.00 0.00 WT3 O ATOM 42233 H1 TIP3 5009 39.138 80.840 8.405 1.00 0.00 WT3 H ATOM 42234 H2 TIP3 5009 39.102 81.980 9.401 1.00 0.00 WT3 H ATOM 42235 OH2 TIP3 5010 61.523 5.533 -2.949 1.00 0.00 WT3 O ATOM 42236 H1 TIP3 5010 62.367 5.970 -2.836 1.00 0.00 WT3 H ATOM 42237 H2 TIP3 5010 61.735 4.718 -3.404 1.00 0.00 WT3 H ATOM 42238 OH2 TIP3 5011 30.565 34.314 35.475 1.00 0.00 WT3 O ATOM 42239 H1 TIP3 5011 31.057 34.695 36.202 1.00 0.00 WT3 H ATOM 42240 H2 TIP3 5011 30.850 34.810 34.707 1.00 0.00 WT3 H ATOM 42241 OH2 TIP3 5012 22.198 45.776 25.425 1.00 0.00 WT3 O ATOM 42242 H1 TIP3 5012 22.200 46.491 26.062 1.00 0.00 WT3 H ATOM 42243 H2 TIP3 5012 21.382 45.890 24.938 1.00 0.00 WT3 H ATOM 42244 OH2 TIP3 5013 34.942 44.480 42.257 1.00 0.00 WT3 O ATOM 42245 H1 TIP3 5013 34.641 44.292 43.146 1.00 0.00 WT3 H ATOM 42246 H2 TIP3 5013 35.414 43.690 41.993 1.00 0.00 WT3 H ATOM 42247 OH2 TIP3 5014 76.201 76.395 39.691 1.00 0.00 WT3 O ATOM 42248 H1 TIP3 5014 76.733 76.330 40.485 1.00 0.00 WT3 H ATOM 42249 H2 TIP3 5014 76.261 75.528 39.290 1.00 0.00 WT3 H ATOM 42250 OH2 TIP3 5015 90.341 30.696 25.941 1.00 0.00 WT3 O ATOM 42251 H1 TIP3 5015 90.888 31.272 26.475 1.00 0.00 WT3 H ATOM 42252 H2 TIP3 5015 89.451 30.844 26.262 1.00 0.00 WT3 H ATOM 42253 OH2 TIP3 5016 64.687 55.408 62.163 1.00 0.00 WT3 O ATOM 42254 H1 TIP3 5016 64.530 56.248 61.732 1.00 0.00 WT3 H ATOM 42255 H2 TIP3 5016 63.820 55.120 62.449 1.00 0.00 WT3 H ATOM 42256 OH2 TIP3 5017 46.495 33.324 66.375 1.00 0.00 WT3 O ATOM 42257 H1 TIP3 5017 45.876 32.686 66.729 1.00 0.00 WT3 H ATOM 42258 H2 TIP3 5017 46.548 34.004 67.046 1.00 0.00 WT3 H ATOM 42259 OH2 TIP3 5018 52.163 10.356 25.523 1.00 0.00 WT3 O ATOM 42260 H1 TIP3 5018 51.360 10.202 26.020 1.00 0.00 WT3 H ATOM 42261 H2 TIP3 5018 52.064 9.821 24.735 1.00 0.00 WT3 H ATOM 42262 OH2 TIP3 5019 88.507 51.853 10.709 1.00 0.00 WT3 O ATOM 42263 H1 TIP3 5019 89.294 52.089 10.218 1.00 0.00 WT3 H ATOM 42264 H2 TIP3 5019 88.579 50.907 10.838 1.00 0.00 WT3 H ATOM 42265 OH2 TIP3 5020 63.134 36.438 35.784 1.00 0.00 WT3 O ATOM 42266 H1 TIP3 5020 63.437 37.318 35.558 1.00 0.00 WT3 H ATOM 42267 H2 TIP3 5020 62.442 36.252 35.150 1.00 0.00 WT3 H ATOM 42268 OH2 TIP3 5021 80.977 33.058 -3.189 1.00 0.00 WT3 O ATOM 42269 H1 TIP3 5021 80.733 32.728 -2.323 1.00 0.00 WT3 H ATOM 42270 H2 TIP3 5021 81.614 33.749 -3.011 1.00 0.00 WT3 H ATOM 42271 OH2 TIP3 5022 29.719 17.057 60.697 1.00 0.00 WT3 O ATOM 42272 H1 TIP3 5022 29.774 17.398 61.589 1.00 0.00 WT3 H ATOM 42273 H2 TIP3 5022 29.781 16.107 60.799 1.00 0.00 WT3 H ATOM 42274 OH2 TIP3 5023 57.654 89.455 -16.896 1.00 0.00 WT3 O ATOM 42275 H1 TIP3 5023 56.762 89.119 -16.807 1.00 0.00 WT3 H ATOM 42276 H2 TIP3 5023 58.061 88.886 -17.550 1.00 0.00 WT3 H ATOM 42277 OH2 TIP3 5024 23.780 1.856 4.667 1.00 0.00 WT3 O ATOM 42278 H1 TIP3 5024 23.696 2.592 4.061 1.00 0.00 WT3 H ATOM 42279 H2 TIP3 5024 23.204 1.182 4.307 1.00 0.00 WT3 H ATOM 42280 OH2 TIP3 5025 77.695 96.471 1.376 1.00 0.00 WT3 O ATOM 42281 H1 TIP3 5025 77.159 96.095 0.677 1.00 0.00 WT3 H ATOM 42282 H2 TIP3 5025 77.066 96.713 2.056 1.00 0.00 WT3 H ATOM 42283 OH2 TIP3 5027 73.102 64.179 5.586 1.00 0.00 WT3 O ATOM 42284 H1 TIP3 5027 73.543 63.649 6.251 1.00 0.00 WT3 H ATOM 42285 H2 TIP3 5027 73.391 65.074 5.762 1.00 0.00 WT3 H ATOM 42286 OH2 TIP3 5031 64.715 70.216 47.647 1.00 0.00 WT3 O ATOM 42287 H1 TIP3 5031 63.946 70.375 48.194 1.00 0.00 WT3 H ATOM 42288 H2 TIP3 5031 64.430 69.552 47.019 1.00 0.00 WT3 H ATOM 42289 OH2 TIP3 5033 58.879 4.739 31.715 1.00 0.00 WT3 O ATOM 42290 H1 TIP3 5033 58.555 4.360 32.532 1.00 0.00 WT3 H ATOM 42291 H2 TIP3 5033 59.406 4.044 31.321 1.00 0.00 WT3 H ATOM 42292 OH2 TIP3 5034 66.847 13.115 46.985 1.00 0.00 WT3 O ATOM 42293 H1 TIP3 5034 67.379 13.071 46.191 1.00 0.00 WT3 H ATOM 42294 H2 TIP3 5034 66.360 12.291 46.994 1.00 0.00 WT3 H ATOM 42295 OH2 TIP3 5039 37.092 77.556 14.499 1.00 0.00 WT3 O ATOM 42296 H1 TIP3 5039 36.555 76.771 14.602 1.00 0.00 WT3 H ATOM 42297 H2 TIP3 5039 36.565 78.259 14.880 1.00 0.00 WT3 H ATOM 42298 OH2 TIP3 5041 68.696 86.942 27.660 1.00 0.00 WT3 O ATOM 42299 H1 TIP3 5041 68.808 86.041 27.355 1.00 0.00 WT3 H ATOM 42300 H2 TIP3 5041 69.427 87.420 27.267 1.00 0.00 WT3 H ATOM 42301 OH2 TIP3 5043 67.279 86.173 19.363 1.00 0.00 WT3 O ATOM 42302 H1 TIP3 5043 67.513 85.793 20.210 1.00 0.00 WT3 H ATOM 42303 H2 TIP3 5043 66.323 86.133 19.338 1.00 0.00 WT3 H ATOM 42304 OH2 TIP3 5044 25.766 52.279 4.257 1.00 0.00 WT3 O ATOM 42305 H1 TIP3 5044 24.895 52.649 4.114 1.00 0.00 WT3 H ATOM 42306 H2 TIP3 5044 26.161 52.842 4.923 1.00 0.00 WT3 H ATOM 42307 OH2 TIP3 5046 73.122 81.384 2.567 1.00 0.00 WT3 O ATOM 42308 H1 TIP3 5046 72.288 81.577 2.139 1.00 0.00 WT3 H ATOM 42309 H2 TIP3 5046 73.785 81.709 1.958 1.00 0.00 WT3 H ATOM 42310 OH2 TIP3 5047 67.743 78.373 -17.387 1.00 0.00 WT3 O ATOM 42311 H1 TIP3 5047 67.289 78.939 -16.763 1.00 0.00 WT3 H ATOM 42312 H2 TIP3 5047 68.573 78.162 -16.959 1.00 0.00 WT3 H ATOM 42313 OH2 TIP3 5048 77.529 54.657 47.310 1.00 0.00 WT3 O ATOM 42314 H1 TIP3 5048 76.630 54.871 47.062 1.00 0.00 WT3 H ATOM 42315 H2 TIP3 5048 77.452 53.853 47.822 1.00 0.00 WT3 H ATOM 42316 OH2 TIP3 5049 76.834 77.134 4.518 1.00 0.00 WT3 O ATOM 42317 H1 TIP3 5049 77.711 77.084 4.138 1.00 0.00 WT3 H ATOM 42318 H2 TIP3 5049 76.976 77.070 5.462 1.00 0.00 WT3 H ATOM 42319 OH2 TIP3 5051 43.277 21.626 66.558 1.00 0.00 WT3 O ATOM 42320 H1 TIP3 5051 42.680 20.919 66.311 1.00 0.00 WT3 H ATOM 42321 H2 TIP3 5051 43.700 21.879 65.737 1.00 0.00 WT3 H ATOM 42322 OH2 TIP3 5052 83.920 67.317 14.340 1.00 0.00 WT3 O ATOM 42323 H1 TIP3 5052 83.425 68.112 14.144 1.00 0.00 WT3 H ATOM 42324 H2 TIP3 5052 84.823 67.532 14.108 1.00 0.00 WT3 H ATOM 42325 OH2 TIP3 5056 85.202 76.239 31.259 1.00 0.00 WT3 O ATOM 42326 H1 TIP3 5056 85.631 75.407 31.059 1.00 0.00 WT3 H ATOM 42327 H2 TIP3 5056 85.790 76.669 31.881 1.00 0.00 WT3 H ATOM 42328 OH2 TIP3 5058 66.619 6.758 57.183 1.00 0.00 WT3 O ATOM 42329 H1 TIP3 5058 66.060 7.476 56.886 1.00 0.00 WT3 H ATOM 42330 H2 TIP3 5058 67.217 6.602 56.452 1.00 0.00 WT3 H ATOM 42331 OH2 TIP3 5059 73.237 90.106 7.206 1.00 0.00 WT3 O ATOM 42332 H1 TIP3 5059 72.373 89.764 7.436 1.00 0.00 WT3 H ATOM 42333 H2 TIP3 5059 73.819 89.348 7.270 1.00 0.00 WT3 H ATOM 42334 OH2 TIP3 5060 26.476 32.632 49.852 1.00 0.00 WT3 O ATOM 42335 H1 TIP3 5060 26.098 32.087 49.162 1.00 0.00 WT3 H ATOM 42336 H2 TIP3 5060 27.110 33.187 49.399 1.00 0.00 WT3 H ATOM 42337 OH2 TIP3 5061 84.375 69.632 -8.308 1.00 0.00 WT3 O ATOM 42338 H1 TIP3 5061 84.225 69.290 -7.427 1.00 0.00 WT3 H ATOM 42339 H2 TIP3 5061 83.631 69.314 -8.820 1.00 0.00 WT3 H ATOM 42340 OH2 TIP3 5063 23.104 32.695 6.715 1.00 0.00 WT3 O ATOM 42341 H1 TIP3 5063 23.459 33.174 7.463 1.00 0.00 WT3 H ATOM 42342 H2 TIP3 5063 23.163 31.774 6.970 1.00 0.00 WT3 H ATOM 42343 OH2 TIP3 5066 37.721 89.035 -13.654 1.00 0.00 WT3 O ATOM 42344 H1 TIP3 5066 37.764 88.598 -12.804 1.00 0.00 WT3 H ATOM 42345 H2 TIP3 5066 38.302 89.790 -13.565 1.00 0.00 WT3 H ATOM 42346 OH2 TIP3 5074 53.473 91.968 53.351 1.00 0.00 WT3 O ATOM 42347 H1 TIP3 5074 52.611 92.317 53.125 1.00 0.00 WT3 H ATOM 42348 H2 TIP3 5074 53.685 91.369 52.634 1.00 0.00 WT3 H ATOM 42349 OH2 TIP3 5076 48.374 10.043 24.429 1.00 0.00 WT3 O ATOM 42350 H1 TIP3 5076 48.105 9.124 24.447 1.00 0.00 WT3 H ATOM 42351 H2 TIP3 5076 48.590 10.212 23.512 1.00 0.00 WT3 H ATOM 42352 OH2 TIP3 5077 23.040 94.589 20.135 1.00 0.00 WT3 O ATOM 42353 H1 TIP3 5077 23.059 94.225 21.020 1.00 0.00 WT3 H ATOM 42354 H2 TIP3 5077 22.387 95.288 20.177 1.00 0.00 WT3 H ATOM 42355 OH2 TIP3 5080 82.079 10.890 0.071 1.00 0.00 WT3 O ATOM 42356 H1 TIP3 5080 82.058 11.379 0.893 1.00 0.00 WT3 H ATOM 42357 H2 TIP3 5080 82.596 11.437 -0.521 1.00 0.00 WT3 H ATOM 42358 OH2 TIP3 5084 33.540 57.719 -19.615 1.00 0.00 WT3 O ATOM 42359 H1 TIP3 5084 34.044 57.679 -18.803 1.00 0.00 WT3 H ATOM 42360 H2 TIP3 5084 33.418 58.655 -19.776 1.00 0.00 WT3 H ATOM 42361 OH2 TIP3 5085 34.939 1.287 55.273 1.00 0.00 WT3 O ATOM 42362 H1 TIP3 5085 34.510 1.990 55.761 1.00 0.00 WT3 H ATOM 42363 H2 TIP3 5085 35.573 0.919 55.890 1.00 0.00 WT3 H ATOM 42364 OH2 TIP3 5088 35.468 29.355 -13.805 1.00 0.00 WT3 O ATOM 42365 H1 TIP3 5088 35.169 30.232 -13.564 1.00 0.00 WT3 H ATOM 42366 H2 TIP3 5088 36.299 29.502 -14.257 1.00 0.00 WT3 H ATOM 42367 OH2 TIP3 5092 86.914 87.496 -14.612 1.00 0.00 WT3 O ATOM 42368 H1 TIP3 5092 86.163 87.211 -14.092 1.00 0.00 WT3 H ATOM 42369 H2 TIP3 5092 87.677 87.236 -14.095 1.00 0.00 WT3 H ATOM 42370 OH2 TIP3 5094 57.890 94.994 56.931 1.00 0.00 WT3 O ATOM 42371 H1 TIP3 5094 58.839 95.005 56.806 1.00 0.00 WT3 H ATOM 42372 H2 TIP3 5094 57.539 94.730 56.081 1.00 0.00 WT3 H ATOM 42373 OH2 TIP3 5098 30.691 82.169 28.827 1.00 0.00 WT3 O ATOM 42374 H1 TIP3 5098 29.825 82.424 29.145 1.00 0.00 WT3 H ATOM 42375 H2 TIP3 5098 30.636 82.266 27.877 1.00 0.00 WT3 H ATOM 42376 OH2 TIP3 5105 55.283 82.868 -5.288 1.00 0.00 WT3 O ATOM 42377 H1 TIP3 5105 55.043 82.139 -4.715 1.00 0.00 WT3 H ATOM 42378 H2 TIP3 5105 54.448 83.188 -5.630 1.00 0.00 WT3 H ATOM 42379 OH2 TIP3 5114 72.742 30.353 -0.040 1.00 0.00 WT3 O ATOM 42380 H1 TIP3 5114 73.001 31.118 0.474 1.00 0.00 WT3 H ATOM 42381 H2 TIP3 5114 71.976 30.644 -0.535 1.00 0.00 WT3 H ATOM 42382 OH2 TIP3 5115 48.298 3.234 38.271 1.00 0.00 WT3 O ATOM 42383 H1 TIP3 5115 47.501 2.715 38.384 1.00 0.00 WT3 H ATOM 42384 H2 TIP3 5115 48.353 3.387 37.328 1.00 0.00 WT3 H ATOM 42385 OH2 TIP3 5116 82.185 36.511 26.396 1.00 0.00 WT3 O ATOM 42386 H1 TIP3 5116 83.023 36.968 26.325 1.00 0.00 WT3 H ATOM 42387 H2 TIP3 5116 81.540 37.142 26.080 1.00 0.00 WT3 H ATOM 42388 OH2 TIP3 5118 68.068 32.746 -7.966 1.00 0.00 WT3 O ATOM 42389 H1 TIP3 5118 67.525 33.428 -7.570 1.00 0.00 WT3 H ATOM 42390 H2 TIP3 5118 68.440 33.158 -8.746 1.00 0.00 WT3 H ATOM 42391 OH2 TIP3 5124 55.085 14.233 -4.117 1.00 0.00 WT3 O ATOM 42392 H1 TIP3 5124 54.710 13.660 -4.785 1.00 0.00 WT3 H ATOM 42393 H2 TIP3 5124 56.028 14.208 -4.282 1.00 0.00 WT3 H ATOM 42394 OH2 TIP3 5133 37.701 9.441 51.649 1.00 0.00 WT3 O ATOM 42395 H1 TIP3 5133 37.234 9.607 52.468 1.00 0.00 WT3 H ATOM 42396 H2 TIP3 5133 37.981 10.306 51.352 1.00 0.00 WT3 H ATOM 42397 OH2 TIP3 5134 39.054 60.528 8.777 1.00 0.00 WT3 O ATOM 42398 H1 TIP3 5134 39.218 61.058 9.558 1.00 0.00 WT3 H ATOM 42399 H2 TIP3 5134 39.917 60.197 8.526 1.00 0.00 WT3 H ATOM 42400 OH2 TIP3 5164 40.458 76.512 19.279 1.00 0.00 WT3 O ATOM 42401 H1 TIP3 5164 41.234 75.955 19.349 1.00 0.00 WT3 H ATOM 42402 H2 TIP3 5164 39.834 75.992 18.773 1.00 0.00 WT3 H ATOM 42403 OH2 TIP3 5166 73.561 73.792 61.061 1.00 0.00 WT3 O ATOM 42404 H1 TIP3 5166 72.808 73.439 60.586 1.00 0.00 WT3 H ATOM 42405 H2 TIP3 5166 74.079 73.022 61.296 1.00 0.00 WT3 H ATOM 42406 OH2 TIP3 5193 34.481 82.999 19.757 1.00 0.00 WT3 O ATOM 42407 H1 TIP3 5193 34.188 82.943 18.848 1.00 0.00 WT3 H ATOM 42408 H2 TIP3 5193 35.225 82.398 19.808 1.00 0.00 WT3 H ATOM 42409 OH2 TIP3 5195 40.932 53.724 7.539 1.00 0.00 WT3 O ATOM 42410 H1 TIP3 5195 41.689 53.167 7.718 1.00 0.00 WT3 H ATOM 42411 H2 TIP3 5195 40.700 54.095 8.391 1.00 0.00 WT3 H ATOM 42412 OH2 TIP3 5234 76.994 62.454 2.913 1.00 0.00 WT3 O ATOM 42413 H1 TIP3 5234 76.217 62.862 3.296 1.00 0.00 WT3 H ATOM 42414 H2 TIP3 5234 76.692 61.596 2.614 1.00 0.00 WT3 H ATOM 42415 OH2 TIP3 5251 32.213 83.455 -5.763 1.00 0.00 WT3 O ATOM 42416 H1 TIP3 5251 32.358 84.205 -5.185 1.00 0.00 WT3 H ATOM 42417 H2 TIP3 5251 31.673 82.856 -5.248 1.00 0.00 WT3 H ATOM 42418 OH2 TIP3 5252 83.480 4.565 49.803 1.00 0.00 WT3 O ATOM 42419 H1 TIP3 5252 84.230 4.574 49.209 1.00 0.00 WT3 H ATOM 42420 H2 TIP3 5252 82.729 4.383 49.238 1.00 0.00 WT3 H ATOM 42421 OH2 TIP3 5259 75.994 10.667 47.740 1.00 0.00 WT3 O ATOM 42422 H1 TIP3 5259 75.769 11.254 48.462 1.00 0.00 WT3 H ATOM 42423 H2 TIP3 5259 76.350 11.244 47.064 1.00 0.00 WT3 H ATOM 42424 OH2 TIP3 5271 22.022 17.201 7.306 1.00 0.00 WT3 O ATOM 42425 H1 TIP3 5271 22.227 17.549 6.439 1.00 0.00 WT3 H ATOM 42426 H2 TIP3 5271 21.342 17.783 7.644 1.00 0.00 WT3 H ATOM 42427 OH2 TIP3 5272 88.051 37.459 46.630 1.00 0.00 WT3 O ATOM 42428 H1 TIP3 5272 87.586 38.288 46.513 1.00 0.00 WT3 H ATOM 42429 H2 TIP3 5272 88.638 37.617 47.370 1.00 0.00 WT3 H ATOM 42430 OH2 TIP3 5284 62.512 73.653 15.342 1.00 0.00 WT3 O ATOM 42431 H1 TIP3 5284 61.706 73.327 14.942 1.00 0.00 WT3 H ATOM 42432 H2 TIP3 5284 63.169 72.990 15.132 1.00 0.00 WT3 H ATOM 42433 OH2 TIP3 5286 88.214 76.447 34.887 1.00 0.00 WT3 O ATOM 42434 H1 TIP3 5286 88.530 75.591 35.175 1.00 0.00 WT3 H ATOM 42435 H2 TIP3 5286 88.074 76.937 35.698 1.00 0.00 WT3 H ATOM 42436 OH2 TIP3 5296 75.047 55.296 46.376 1.00 0.00 WT3 O ATOM 42437 H1 TIP3 5296 75.109 55.243 45.422 1.00 0.00 WT3 H ATOM 42438 H2 TIP3 5296 74.107 55.337 46.553 1.00 0.00 WT3 H ATOM 42439 OH2 TIP3 5302 32.826 2.673 4.818 1.00 0.00 WT3 O ATOM 42440 H1 TIP3 5302 32.673 3.466 4.304 1.00 0.00 WT3 H ATOM 42441 H2 TIP3 5302 32.214 2.031 4.457 1.00 0.00 WT3 H ATOM 42442 OH2 TIP3 5304 53.977 42.918 -15.806 1.00 0.00 WT3 O ATOM 42443 H1 TIP3 5304 54.279 43.623 -15.234 1.00 0.00 WT3 H ATOM 42444 H2 TIP3 5304 54.003 43.294 -16.685 1.00 0.00 WT3 H ATOM 42445 OH2 TIP3 5306 60.721 56.932 18.673 1.00 0.00 WT3 O ATOM 42446 H1 TIP3 5306 61.091 56.143 18.278 1.00 0.00 WT3 H ATOM 42447 H2 TIP3 5306 60.099 57.258 18.023 1.00 0.00 WT3 H ATOM 42448 OH2 TIP3 5309 70.006 66.155 31.352 1.00 0.00 WT3 O ATOM 42449 H1 TIP3 5309 69.408 65.511 30.972 1.00 0.00 WT3 H ATOM 42450 H2 TIP3 5309 69.433 66.838 31.701 1.00 0.00 WT3 H ATOM 42451 OH2 TIP3 5314 55.134 80.914 54.904 1.00 0.00 WT3 O ATOM 42452 H1 TIP3 5314 54.804 81.801 54.768 1.00 0.00 WT3 H ATOM 42453 H2 TIP3 5314 55.322 80.590 54.023 1.00 0.00 WT3 H ATOM 42454 OH2 TIP3 5317 82.933 24.894 57.110 1.00 0.00 WT3 O ATOM 42455 H1 TIP3 5317 82.187 25.291 56.661 1.00 0.00 WT3 H ATOM 42456 H2 TIP3 5317 83.095 25.466 57.860 1.00 0.00 WT3 H ATOM 42457 OH2 TIP3 5318 56.866 95.967 23.657 1.00 0.00 WT3 O ATOM 42458 H1 TIP3 5318 56.813 95.243 24.281 1.00 0.00 WT3 H ATOM 42459 H2 TIP3 5318 56.457 95.628 22.860 1.00 0.00 WT3 H ATOM 42460 OH2 TIP3 5319 70.173 62.926 -1.978 1.00 0.00 WT3 O ATOM 42461 H1 TIP3 5319 69.576 62.208 -1.772 1.00 0.00 WT3 H ATOM 42462 H2 TIP3 5319 70.378 63.319 -1.129 1.00 0.00 WT3 H ATOM 42463 OH2 TIP3 5320 32.487 58.684 -16.478 1.00 0.00 WT3 O ATOM 42464 H1 TIP3 5320 32.335 59.326 -15.784 1.00 0.00 WT3 H ATOM 42465 H2 TIP3 5320 33.438 58.656 -16.575 1.00 0.00 WT3 H ATOM 42466 OH2 TIP3 5323 22.177 50.944 12.539 1.00 0.00 WT3 O ATOM 42467 H1 TIP3 5323 22.767 50.467 11.956 1.00 0.00 WT3 H ATOM 42468 H2 TIP3 5323 22.757 51.454 13.104 1.00 0.00 WT3 H ATOM 42469 OH2 TIP3 5328 44.891 21.768 49.145 1.00 0.00 WT3 O ATOM 42470 H1 TIP3 5328 45.397 22.207 48.461 1.00 0.00 WT3 H ATOM 42471 H2 TIP3 5328 44.112 21.440 48.694 1.00 0.00 WT3 H ATOM 42472 OH2 TIP3 5331 74.743 58.766 41.450 1.00 0.00 WT3 O ATOM 42473 H1 TIP3 5331 74.848 59.677 41.725 1.00 0.00 WT3 H ATOM 42474 H2 TIP3 5331 73.827 58.700 41.183 1.00 0.00 WT3 H ATOM 42475 OH2 TIP3 5332 72.871 79.207 45.622 1.00 0.00 WT3 O ATOM 42476 H1 TIP3 5332 72.822 78.631 44.860 1.00 0.00 WT3 H ATOM 42477 H2 TIP3 5332 72.938 80.088 45.254 1.00 0.00 WT3 H ATOM 42478 OH2 TIP3 5334 63.582 70.435 17.323 1.00 0.00 WT3 O ATOM 42479 H1 TIP3 5334 63.239 69.977 18.090 1.00 0.00 WT3 H ATOM 42480 H2 TIP3 5334 62.937 70.266 16.635 1.00 0.00 WT3 H ATOM 42481 OH2 TIP3 5338 48.883 57.116 51.170 1.00 0.00 WT3 O ATOM 42482 H1 TIP3 5338 48.365 57.635 50.555 1.00 0.00 WT3 H ATOM 42483 H2 TIP3 5338 49.787 57.227 50.876 1.00 0.00 WT3 H ATOM 42484 OH2 TIP3 5341 25.358 85.269 47.610 1.00 0.00 WT3 O ATOM 42485 H1 TIP3 5341 25.338 84.351 47.341 1.00 0.00 WT3 H ATOM 42486 H2 TIP3 5341 25.427 85.759 46.790 1.00 0.00 WT3 H ATOM 42487 OH2 TIP3 5350 45.998 43.109 11.624 1.00 0.00 WT3 O ATOM 42488 H1 TIP3 5350 45.970 43.951 12.079 1.00 0.00 WT3 H ATOM 42489 H2 TIP3 5350 45.982 42.457 12.325 1.00 0.00 WT3 H ATOM 42490 OH2 TIP3 5351 71.278 70.068 -4.790 1.00 0.00 WT3 O ATOM 42491 H1 TIP3 5351 70.792 70.421 -5.536 1.00 0.00 WT3 H ATOM 42492 H2 TIP3 5351 70.721 69.367 -4.451 1.00 0.00 WT3 H ATOM 42493 OH2 TIP3 5354 27.274 82.244 41.584 1.00 0.00 WT3 O ATOM 42494 H1 TIP3 5354 27.250 81.304 41.759 1.00 0.00 WT3 H ATOM 42495 H2 TIP3 5354 26.353 82.500 41.522 1.00 0.00 WT3 H ATOM 42496 OH2 TIP3 5355 39.850 23.932 -2.802 1.00 0.00 WT3 O ATOM 42497 H1 TIP3 5355 40.581 23.316 -2.756 1.00 0.00 WT3 H ATOM 42498 H2 TIP3 5355 40.256 24.794 -2.720 1.00 0.00 WT3 H ATOM 42499 OH2 TIP3 5356 50.188 46.175 54.259 1.00 0.00 WT3 O ATOM 42500 H1 TIP3 5356 49.426 46.177 53.679 1.00 0.00 WT3 H ATOM 42501 H2 TIP3 5356 49.848 45.869 55.100 1.00 0.00 WT3 H ATOM 42502 OH2 TIP3 5357 32.136 71.909 8.948 1.00 0.00 WT3 O ATOM 42503 H1 TIP3 5357 32.316 71.683 9.860 1.00 0.00 WT3 H ATOM 42504 H2 TIP3 5357 32.650 72.700 8.790 1.00 0.00 WT3 H ATOM 42505 OH2 TIP3 5358 23.784 39.510 -15.521 1.00 0.00 WT3 O ATOM 42506 H1 TIP3 5358 24.232 38.664 -15.520 1.00 0.00 WT3 H ATOM 42507 H2 TIP3 5358 24.061 39.929 -14.706 1.00 0.00 WT3 H ATOM 42508 OH2 TIP3 5359 55.779 19.867 -13.066 1.00 0.00 WT3 O ATOM 42509 H1 TIP3 5359 55.860 19.266 -12.325 1.00 0.00 WT3 H ATOM 42510 H2 TIP3 5359 56.657 19.901 -13.445 1.00 0.00 WT3 H ATOM 42511 OH2 TIP3 5360 43.906 84.239 24.326 1.00 0.00 WT3 O ATOM 42512 H1 TIP3 5360 44.388 83.460 24.048 1.00 0.00 WT3 H ATOM 42513 H2 TIP3 5360 43.094 83.897 24.700 1.00 0.00 WT3 H ATOM 42514 OH2 TIP3 5363 33.047 26.836 52.147 1.00 0.00 WT3 O ATOM 42515 H1 TIP3 5363 33.031 25.884 52.245 1.00 0.00 WT3 H ATOM 42516 H2 TIP3 5363 32.220 27.046 51.711 1.00 0.00 WT3 H ATOM 42517 OH2 TIP3 5364 64.841 3.681 54.786 1.00 0.00 WT3 O ATOM 42518 H1 TIP3 5364 65.629 3.753 55.324 1.00 0.00 WT3 H ATOM 42519 H2 TIP3 5364 64.904 2.816 54.382 1.00 0.00 WT3 H ATOM 42520 OH2 TIP3 5369 56.485 64.003 -16.758 1.00 0.00 WT3 O ATOM 42521 H1 TIP3 5369 55.550 64.191 -16.678 1.00 0.00 WT3 H ATOM 42522 H2 TIP3 5369 56.695 64.211 -17.668 1.00 0.00 WT3 H ATOM 42523 OH2 TIP3 5370 86.385 84.536 2.237 1.00 0.00 WT3 O ATOM 42524 H1 TIP3 5370 86.905 83.964 1.673 1.00 0.00 WT3 H ATOM 42525 H2 TIP3 5370 86.184 83.998 3.003 1.00 0.00 WT3 H ATOM 42526 OH2 TIP3 5371 66.881 62.723 33.643 1.00 0.00 WT3 O ATOM 42527 H1 TIP3 5371 66.971 62.593 32.699 1.00 0.00 WT3 H ATOM 42528 H2 TIP3 5371 65.960 62.952 33.767 1.00 0.00 WT3 H ATOM 42529 OH2 TIP3 5372 40.920 65.558 44.872 1.00 0.00 WT3 O ATOM 42530 H1 TIP3 5372 41.303 66.048 44.144 1.00 0.00 WT3 H ATOM 42531 H2 TIP3 5372 40.337 66.184 45.302 1.00 0.00 WT3 H ATOM 42532 OH2 TIP3 5374 36.248 82.215 57.256 1.00 0.00 WT3 O ATOM 42533 H1 TIP3 5374 35.997 82.595 56.414 1.00 0.00 WT3 H ATOM 42534 H2 TIP3 5374 36.603 82.951 57.755 1.00 0.00 WT3 H ATOM 42535 OH2 TIP3 5375 32.635 53.137 -9.827 1.00 0.00 WT3 O ATOM 42536 H1 TIP3 5375 32.142 52.606 -9.201 1.00 0.00 WT3 H ATOM 42537 H2 TIP3 5375 33.003 53.848 -9.302 1.00 0.00 WT3 H ATOM 42538 OH2 TIP3 5376 39.608 7.961 25.464 1.00 0.00 WT3 O ATOM 42539 H1 TIP3 5376 39.640 8.301 24.570 1.00 0.00 WT3 H ATOM 42540 H2 TIP3 5376 39.106 8.614 25.952 1.00 0.00 WT3 H ATOM 42541 OH2 TIP3 5377 40.190 71.818 58.963 1.00 0.00 WT3 O ATOM 42542 H1 TIP3 5377 40.227 72.160 59.856 1.00 0.00 WT3 H ATOM 42543 H2 TIP3 5377 40.240 72.594 58.406 1.00 0.00 WT3 H ATOM 42544 OH2 TIP3 5378 41.412 58.982 5.638 1.00 0.00 WT3 O ATOM 42545 H1 TIP3 5378 40.769 58.300 5.828 1.00 0.00 WT3 H ATOM 42546 H2 TIP3 5378 42.192 58.721 6.128 1.00 0.00 WT3 H ATOM 42547 OH2 TIP3 5379 80.327 73.282 -10.735 1.00 0.00 WT3 O ATOM 42548 H1 TIP3 5379 80.996 73.926 -10.970 1.00 0.00 WT3 H ATOM 42549 H2 TIP3 5379 80.768 72.688 -10.128 1.00 0.00 WT3 H ATOM 42550 OH2 TIP3 5380 49.796 79.916 -5.191 1.00 0.00 WT3 O ATOM 42551 H1 TIP3 5380 49.129 80.134 -4.540 1.00 0.00 WT3 H ATOM 42552 H2 TIP3 5380 50.366 79.287 -4.750 1.00 0.00 WT3 H ATOM 42553 OH2 TIP3 5381 45.809 45.850 -9.894 1.00 0.00 WT3 O ATOM 42554 H1 TIP3 5381 46.720 45.647 -9.680 1.00 0.00 WT3 H ATOM 42555 H2 TIP3 5381 45.769 46.806 -9.889 1.00 0.00 WT3 H ATOM 42556 OH2 TIP3 5382 68.781 6.782 60.916 1.00 0.00 WT3 O ATOM 42557 H1 TIP3 5382 68.028 6.332 61.299 1.00 0.00 WT3 H ATOM 42558 H2 TIP3 5382 68.795 6.495 60.003 1.00 0.00 WT3 H ATOM 42559 OH2 TIP3 5383 45.774 53.392 7.907 1.00 0.00 WT3 O ATOM 42560 H1 TIP3 5383 46.436 53.470 7.220 1.00 0.00 WT3 H ATOM 42561 H2 TIP3 5383 46.274 53.382 8.723 1.00 0.00 WT3 H ATOM 42562 OH2 TIP3 5384 69.849 59.985 -11.302 1.00 0.00 WT3 O ATOM 42563 H1 TIP3 5384 69.320 59.310 -11.728 1.00 0.00 WT3 H ATOM 42564 H2 TIP3 5384 70.519 59.497 -10.823 1.00 0.00 WT3 H ATOM 42565 OH2 TIP3 5385 32.750 54.535 56.209 1.00 0.00 WT3 O ATOM 42566 H1 TIP3 5385 32.031 54.365 55.600 1.00 0.00 WT3 H ATOM 42567 H2 TIP3 5385 32.332 54.572 57.069 1.00 0.00 WT3 H ATOM 42568 OH2 TIP3 5388 54.064 79.249 50.899 1.00 0.00 WT3 O ATOM 42569 H1 TIP3 5388 53.923 80.150 50.609 1.00 0.00 WT3 H ATOM 42570 H2 TIP3 5388 53.841 78.714 50.138 1.00 0.00 WT3 H ATOM 42571 OH2 TIP3 5389 39.628 54.882 31.604 1.00 0.00 WT3 O ATOM 42572 H1 TIP3 5389 39.251 54.485 30.819 1.00 0.00 WT3 H ATOM 42573 H2 TIP3 5389 39.499 55.822 31.483 1.00 0.00 WT3 H ATOM 42574 OH2 TIP3 5390 30.494 68.780 57.392 1.00 0.00 WT3 O ATOM 42575 H1 TIP3 5390 29.884 69.250 56.823 1.00 0.00 WT3 H ATOM 42576 H2 TIP3 5390 31.185 69.415 57.580 1.00 0.00 WT3 H ATOM 42577 OH2 TIP3 5392 86.205 15.502 38.287 1.00 0.00 WT3 O ATOM 42578 H1 TIP3 5392 86.849 16.065 37.857 1.00 0.00 WT3 H ATOM 42579 H2 TIP3 5392 86.576 14.622 38.225 1.00 0.00 WT3 H ATOM 42580 OH2 TIP3 5393 83.175 7.784 -15.142 1.00 0.00 WT3 O ATOM 42581 H1 TIP3 5393 83.841 8.446 -15.331 1.00 0.00 WT3 H ATOM 42582 H2 TIP3 5393 83.577 7.223 -14.478 1.00 0.00 WT3 H ATOM 42583 OH2 TIP3 5394 57.737 79.681 -5.473 1.00 0.00 WT3 O ATOM 42584 H1 TIP3 5394 58.472 79.094 -5.651 1.00 0.00 WT3 H ATOM 42585 H2 TIP3 5394 57.188 79.198 -4.856 1.00 0.00 WT3 H ATOM 42586 OH2 TIP3 5396 76.162 0.477 3.845 1.00 0.00 WT3 O ATOM 42587 H1 TIP3 5396 75.302 0.068 3.752 1.00 0.00 WT3 H ATOM 42588 H2 TIP3 5396 76.438 0.257 4.735 1.00 0.00 WT3 H ATOM 42589 OH2 TIP3 5397 57.223 45.496 58.510 1.00 0.00 WT3 O ATOM 42590 H1 TIP3 5397 57.427 45.708 59.421 1.00 0.00 WT3 H ATOM 42591 H2 TIP3 5397 57.796 46.066 57.997 1.00 0.00 WT3 H ATOM 42592 OH2 TIP3 5398 36.429 85.025 -9.227 1.00 0.00 WT3 O ATOM 42593 H1 TIP3 5398 36.691 85.050 -10.147 1.00 0.00 WT3 H ATOM 42594 H2 TIP3 5398 36.132 84.126 -9.086 1.00 0.00 WT3 H ATOM 42595 OH2 TIP3 5399 32.212 96.294 55.514 1.00 0.00 WT3 O ATOM 42596 H1 TIP3 5399 32.472 96.030 56.397 1.00 0.00 WT3 H ATOM 42597 H2 TIP3 5399 33.018 96.619 55.113 1.00 0.00 WT3 H ATOM 42598 OH2 TIP3 5400 23.709 16.453 -2.874 1.00 0.00 WT3 O ATOM 42599 H1 TIP3 5400 24.613 16.540 -3.177 1.00 0.00 WT3 H ATOM 42600 H2 TIP3 5400 23.625 17.109 -2.181 1.00 0.00 WT3 H ATOM 42601 OH2 TIP3 5401 61.622 80.734 29.594 1.00 0.00 WT3 O ATOM 42602 H1 TIP3 5401 61.158 81.059 30.365 1.00 0.00 WT3 H ATOM 42603 H2 TIP3 5401 61.926 79.862 29.847 1.00 0.00 WT3 H ATOM 42604 OH2 TIP3 5402 83.758 56.817 -19.782 1.00 0.00 WT3 O ATOM 42605 H1 TIP3 5402 83.310 56.182 -19.224 1.00 0.00 WT3 H ATOM 42606 H2 TIP3 5402 83.184 56.916 -20.542 1.00 0.00 WT3 H ATOM 42607 OH2 TIP3 5404 47.107 87.608 11.164 1.00 0.00 WT3 O ATOM 42608 H1 TIP3 5404 46.220 87.875 11.402 1.00 0.00 WT3 H ATOM 42609 H2 TIP3 5404 47.642 88.387 11.321 1.00 0.00 WT3 H ATOM 42610 OH2 TIP3 5408 83.655 73.325 5.393 1.00 0.00 WT3 O ATOM 42611 H1 TIP3 5408 83.628 72.446 5.771 1.00 0.00 WT3 H ATOM 42612 H2 TIP3 5408 84.345 73.775 5.881 1.00 0.00 WT3 H ATOM 42613 OH2 TIP3 5409 35.498 14.756 53.359 1.00 0.00 WT3 O ATOM 42614 H1 TIP3 5409 35.123 14.228 52.654 1.00 0.00 WT3 H ATOM 42615 H2 TIP3 5409 36.355 15.025 53.029 1.00 0.00 WT3 H ATOM 42616 OH2 TIP3 5413 64.461 20.460 25.246 1.00 0.00 WT3 O ATOM 42617 H1 TIP3 5413 63.784 21.010 25.639 1.00 0.00 WT3 H ATOM 42618 H2 TIP3 5413 64.052 20.102 24.458 1.00 0.00 WT3 H ATOM 42619 OH2 TIP3 5414 20.992 76.829 0.987 1.00 0.00 WT3 O ATOM 42620 H1 TIP3 5414 21.428 76.218 0.393 1.00 0.00 WT3 H ATOM 42621 H2 TIP3 5414 21.135 76.459 1.859 1.00 0.00 WT3 H ATOM 42622 OH2 TIP3 5417 61.689 62.001 52.241 1.00 0.00 WT3 O ATOM 42623 H1 TIP3 5417 62.024 61.374 52.883 1.00 0.00 WT3 H ATOM 42624 H2 TIP3 5417 60.878 61.605 51.920 1.00 0.00 WT3 H ATOM 42625 OH2 TIP3 5418 45.909 0.281 28.832 1.00 0.00 WT3 O ATOM 42626 H1 TIP3 5418 46.760 0.415 28.416 1.00 0.00 WT3 H ATOM 42627 H2 TIP3 5418 45.339 -0.018 28.123 1.00 0.00 WT3 H ATOM 42628 OH2 TIP3 5419 37.037 47.061 47.775 1.00 0.00 WT3 O ATOM 42629 H1 TIP3 5419 36.284 47.473 48.198 1.00 0.00 WT3 H ATOM 42630 H2 TIP3 5419 36.692 46.718 46.951 1.00 0.00 WT3 H ATOM 42631 OH2 TIP3 5420 43.813 2.122 -17.492 1.00 0.00 WT3 O ATOM 42632 H1 TIP3 5420 44.703 2.474 -17.521 1.00 0.00 WT3 H ATOM 42633 H2 TIP3 5420 43.886 1.252 -17.886 1.00 0.00 WT3 H ATOM 42634 OH2 TIP3 5421 46.424 89.377 58.878 1.00 0.00 WT3 O ATOM 42635 H1 TIP3 5421 45.715 89.035 58.335 1.00 0.00 WT3 H ATOM 42636 H2 TIP3 5421 46.447 88.796 59.638 1.00 0.00 WT3 H ATOM 42637 OH2 TIP3 5422 29.902 57.487 11.611 1.00 0.00 WT3 O ATOM 42638 H1 TIP3 5422 29.049 57.892 11.767 1.00 0.00 WT3 H ATOM 42639 H2 TIP3 5422 30.437 57.760 12.356 1.00 0.00 WT3 H ATOM 42640 OH2 TIP3 5423 69.996 78.144 -16.141 1.00 0.00 WT3 O ATOM 42641 H1 TIP3 5423 70.390 78.903 -16.571 1.00 0.00 WT3 H ATOM 42642 H2 TIP3 5423 70.698 77.493 -16.113 1.00 0.00 WT3 H ATOM 42643 OH2 TIP3 5424 68.602 83.111 9.661 1.00 0.00 WT3 O ATOM 42644 H1 TIP3 5424 68.645 84.052 9.835 1.00 0.00 WT3 H ATOM 42645 H2 TIP3 5424 67.738 82.978 9.271 1.00 0.00 WT3 H ATOM 42646 OH2 TIP3 5426 30.374 81.378 -4.561 1.00 0.00 WT3 O ATOM 42647 H1 TIP3 5426 30.045 81.675 -5.409 1.00 0.00 WT3 H ATOM 42648 H2 TIP3 5426 31.002 80.688 -4.776 1.00 0.00 WT3 H ATOM 42649 OH2 TIP3 5427 46.567 24.312 57.039 1.00 0.00 WT3 O ATOM 42650 H1 TIP3 5427 47.236 24.240 56.358 1.00 0.00 WT3 H ATOM 42651 H2 TIP3 5427 46.234 23.420 57.143 1.00 0.00 WT3 H ATOM 42652 OH2 TIP3 5428 64.088 69.168 40.417 1.00 0.00 WT3 O ATOM 42653 H1 TIP3 5428 64.373 70.047 40.168 1.00 0.00 WT3 H ATOM 42654 H2 TIP3 5428 64.817 68.600 40.169 1.00 0.00 WT3 H ATOM 42655 OH2 TIP3 5429 78.806 63.232 26.403 1.00 0.00 WT3 O ATOM 42656 H1 TIP3 5429 78.376 63.821 25.783 1.00 0.00 WT3 H ATOM 42657 H2 TIP3 5429 79.623 63.677 26.630 1.00 0.00 WT3 H ATOM 42658 OH2 TIP3 5430 64.541 56.859 -16.857 1.00 0.00 WT3 O ATOM 42659 H1 TIP3 5430 64.681 56.357 -17.660 1.00 0.00 WT3 H ATOM 42660 H2 TIP3 5430 63.620 57.117 -16.892 1.00 0.00 WT3 H ATOM 42661 OH2 TIP3 5432 63.369 92.120 25.858 1.00 0.00 WT3 O ATOM 42662 H1 TIP3 5432 63.924 92.594 26.478 1.00 0.00 WT3 H ATOM 42663 H2 TIP3 5432 63.526 91.196 26.053 1.00 0.00 WT3 H ATOM 42664 OH2 TIP3 5434 62.368 31.534 62.960 1.00 0.00 WT3 O ATOM 42665 H1 TIP3 5434 61.702 31.502 62.273 1.00 0.00 WT3 H ATOM 42666 H2 TIP3 5434 61.934 31.171 63.732 1.00 0.00 WT3 H ATOM 42667 OH2 TIP3 5436 72.033 18.221 3.123 1.00 0.00 WT3 O ATOM 42668 H1 TIP3 5436 72.033 17.657 2.350 1.00 0.00 WT3 H ATOM 42669 H2 TIP3 5436 72.553 18.982 2.865 1.00 0.00 WT3 H ATOM 42670 OH2 TIP3 5437 26.994 79.869 33.541 1.00 0.00 WT3 O ATOM 42671 H1 TIP3 5437 26.288 79.616 32.946 1.00 0.00 WT3 H ATOM 42672 H2 TIP3 5437 27.248 79.053 33.972 1.00 0.00 WT3 H ATOM 42673 OH2 TIP3 5438 64.163 90.955 21.620 1.00 0.00 WT3 O ATOM 42674 H1 TIP3 5438 64.164 91.488 20.824 1.00 0.00 WT3 H ATOM 42675 H2 TIP3 5438 63.238 90.774 21.787 1.00 0.00 WT3 H ATOM 42676 OH2 TIP3 5440 60.859 54.547 -14.262 1.00 0.00 WT3 O ATOM 42677 H1 TIP3 5440 61.695 54.295 -13.869 1.00 0.00 WT3 H ATOM 42678 H2 TIP3 5440 60.200 54.252 -13.634 1.00 0.00 WT3 H ATOM 42679 OH2 TIP3 5441 84.021 66.489 39.730 1.00 0.00 WT3 O ATOM 42680 H1 TIP3 5441 84.285 66.402 40.646 1.00 0.00 WT3 H ATOM 42681 H2 TIP3 5441 84.837 66.402 39.236 1.00 0.00 WT3 H ATOM 42682 OH2 TIP3 5442 50.382 74.798 48.169 1.00 0.00 WT3 O ATOM 42683 H1 TIP3 5442 50.507 73.851 48.222 1.00 0.00 WT3 H ATOM 42684 H2 TIP3 5442 49.451 74.908 47.977 1.00 0.00 WT3 H ATOM 42685 OH2 TIP3 5443 73.547 48.454 47.314 1.00 0.00 WT3 O ATOM 42686 H1 TIP3 5443 73.480 47.609 46.869 1.00 0.00 WT3 H ATOM 42687 H2 TIP3 5443 73.235 48.283 48.202 1.00 0.00 WT3 H ATOM 42688 OH2 TIP3 5444 36.179 14.182 -10.935 1.00 0.00 WT3 O ATOM 42689 H1 TIP3 5444 36.105 14.072 -9.987 1.00 0.00 WT3 H ATOM 42690 H2 TIP3 5444 35.291 14.037 -11.263 1.00 0.00 WT3 H ATOM 42691 OH2 TIP3 5446 73.189 83.182 18.310 1.00 0.00 WT3 O ATOM 42692 H1 TIP3 5446 72.243 83.100 18.193 1.00 0.00 WT3 H ATOM 42693 H2 TIP3 5446 73.563 82.539 17.707 1.00 0.00 WT3 H ATOM 42694 OH2 TIP3 5447 87.925 58.461 -9.762 1.00 0.00 WT3 O ATOM 42695 H1 TIP3 5447 88.178 58.330 -10.676 1.00 0.00 WT3 H ATOM 42696 H2 TIP3 5447 88.432 57.809 -9.277 1.00 0.00 WT3 H ATOM 42697 OH2 TIP3 5448 55.997 12.961 -8.145 1.00 0.00 WT3 O ATOM 42698 H1 TIP3 5448 56.677 13.524 -8.514 1.00 0.00 WT3 H ATOM 42699 H2 TIP3 5448 56.038 12.160 -8.668 1.00 0.00 WT3 H ATOM 42700 OH2 TIP3 5449 85.871 75.415 40.371 1.00 0.00 WT3 O ATOM 42701 H1 TIP3 5449 86.511 75.241 41.061 1.00 0.00 WT3 H ATOM 42702 H2 TIP3 5449 86.400 75.607 39.597 1.00 0.00 WT3 H ATOM 42703 OH2 TIP3 5450 83.364 47.700 25.383 1.00 0.00 WT3 O ATOM 42704 H1 TIP3 5450 84.145 47.224 25.664 1.00 0.00 WT3 H ATOM 42705 H2 TIP3 5450 83.560 47.977 24.488 1.00 0.00 WT3 H ATOM 42706 OH2 TIP3 5451 74.147 24.510 56.434 1.00 0.00 WT3 O ATOM 42707 H1 TIP3 5451 74.956 24.924 56.133 1.00 0.00 WT3 H ATOM 42708 H2 TIP3 5451 73.540 24.611 55.701 1.00 0.00 WT3 H ATOM 42709 OH2 TIP3 5452 58.431 43.279 -18.560 1.00 0.00 WT3 O ATOM 42710 H1 TIP3 5452 59.324 43.122 -18.252 1.00 0.00 WT3 H ATOM 42711 H2 TIP3 5452 58.511 43.328 -19.513 1.00 0.00 WT3 H ATOM 42712 OH2 TIP3 5453 59.612 70.186 65.425 1.00 0.00 WT3 O ATOM 42713 H1 TIP3 5453 60.360 70.600 65.856 1.00 0.00 WT3 H ATOM 42714 H2 TIP3 5453 58.863 70.728 65.671 1.00 0.00 WT3 H ATOM 42715 OH2 TIP3 5455 30.918 67.725 -16.336 1.00 0.00 WT3 O ATOM 42716 H1 TIP3 5455 30.907 67.595 -17.284 1.00 0.00 WT3 H ATOM 42717 H2 TIP3 5455 30.828 66.844 -15.973 1.00 0.00 WT3 H ATOM 42718 OH2 TIP3 5456 49.935 18.562 3.642 1.00 0.00 WT3 O ATOM 42719 H1 TIP3 5456 49.172 18.242 4.124 1.00 0.00 WT3 H ATOM 42720 H2 TIP3 5456 50.055 19.459 3.953 1.00 0.00 WT3 H ATOM 42721 OH2 TIP3 5457 81.884 37.360 37.841 1.00 0.00 WT3 O ATOM 42722 H1 TIP3 5457 82.833 37.347 37.969 1.00 0.00 WT3 H ATOM 42723 H2 TIP3 5457 81.545 36.764 38.509 1.00 0.00 WT3 H ATOM 42724 OH2 TIP3 5458 61.515 45.355 52.973 1.00 0.00 WT3 O ATOM 42725 H1 TIP3 5458 60.946 46.085 52.730 1.00 0.00 WT3 H ATOM 42726 H2 TIP3 5458 61.309 44.669 52.338 1.00 0.00 WT3 H ATOM 42727 OH2 TIP3 5459 67.465 73.758 64.794 1.00 0.00 WT3 O ATOM 42728 H1 TIP3 5459 67.180 74.130 63.960 1.00 0.00 WT3 H ATOM 42729 H2 TIP3 5459 66.693 73.812 65.357 1.00 0.00 WT3 H ATOM 42730 OH2 TIP3 5460 58.785 74.809 -0.809 1.00 0.00 WT3 O ATOM 42731 H1 TIP3 5460 58.387 75.487 -1.355 1.00 0.00 WT3 H ATOM 42732 H2 TIP3 5460 58.137 74.104 -0.792 1.00 0.00 WT3 H ATOM 42733 OH2 TIP3 5461 33.925 67.345 -19.257 1.00 0.00 WT3 O ATOM 42734 H1 TIP3 5461 34.532 67.345 -18.517 1.00 0.00 WT3 H ATOM 42735 H2 TIP3 5461 33.343 68.087 -19.090 1.00 0.00 WT3 H ATOM 42736 OH2 TIP3 5462 51.273 17.625 45.549 1.00 0.00 WT3 O ATOM 42737 H1 TIP3 5462 52.048 17.772 45.007 1.00 0.00 WT3 H ATOM 42738 H2 TIP3 5462 51.622 17.414 46.415 1.00 0.00 WT3 H ATOM 42739 OH2 TIP3 5463 71.152 69.218 15.989 1.00 0.00 WT3 O ATOM 42740 H1 TIP3 5463 71.041 70.082 16.386 1.00 0.00 WT3 H ATOM 42741 H2 TIP3 5463 70.680 69.274 15.158 1.00 0.00 WT3 H ATOM 42742 OH2 TIP3 5464 83.812 83.917 15.954 1.00 0.00 WT3 O ATOM 42743 H1 TIP3 5464 84.644 84.300 16.230 1.00 0.00 WT3 H ATOM 42744 H2 TIP3 5464 83.314 83.812 16.765 1.00 0.00 WT3 H ATOM 42745 OH2 TIP3 5465 49.589 27.637 42.222 1.00 0.00 WT3 O ATOM 42746 H1 TIP3 5465 49.488 28.132 41.409 1.00 0.00 WT3 H ATOM 42747 H2 TIP3 5465 49.286 26.755 42.005 1.00 0.00 WT3 H ATOM 42748 OH2 TIP3 5466 28.293 28.890 29.320 1.00 0.00 WT3 O ATOM 42749 H1 TIP3 5466 28.804 28.772 28.519 1.00 0.00 WT3 H ATOM 42750 H2 TIP3 5466 27.484 29.309 29.028 1.00 0.00 WT3 H ATOM 42751 OH2 TIP3 5469 82.206 38.855 -14.204 1.00 0.00 WT3 O ATOM 42752 H1 TIP3 5469 82.558 38.302 -13.506 1.00 0.00 WT3 H ATOM 42753 H2 TIP3 5469 81.602 39.448 -13.758 1.00 0.00 WT3 H ATOM 42754 OH2 TIP3 5470 61.798 74.361 -18.463 1.00 0.00 WT3 O ATOM 42755 H1 TIP3 5470 61.458 74.802 -17.685 1.00 0.00 WT3 H ATOM 42756 H2 TIP3 5470 62.239 73.582 -18.125 1.00 0.00 WT3 H ATOM 42757 OH2 TIP3 5471 47.267 77.239 53.177 1.00 0.00 WT3 O ATOM 42758 H1 TIP3 5471 47.652 77.978 53.650 1.00 0.00 WT3 H ATOM 42759 H2 TIP3 5471 47.685 76.467 53.558 1.00 0.00 WT3 H ATOM 42760 OH2 TIP3 5472 58.522 2.052 -0.201 1.00 0.00 WT3 O ATOM 42761 H1 TIP3 5472 59.300 2.492 0.141 1.00 0.00 WT3 H ATOM 42762 H2 TIP3 5472 58.213 1.512 0.526 1.00 0.00 WT3 H ATOM 42763 OH2 TIP3 5473 53.825 86.189 25.882 1.00 0.00 WT3 O ATOM 42764 H1 TIP3 5473 53.700 86.753 25.119 1.00 0.00 WT3 H ATOM 42765 H2 TIP3 5473 53.069 86.369 26.440 1.00 0.00 WT3 H ATOM 42766 OH2 TIP3 5474 59.726 2.635 -12.144 1.00 0.00 WT3 O ATOM 42767 H1 TIP3 5474 60.178 3.284 -12.683 1.00 0.00 WT3 H ATOM 42768 H2 TIP3 5474 60.208 1.821 -12.293 1.00 0.00 WT3 H ATOM 42769 OH2 TIP3 5476 43.342 88.110 2.492 1.00 0.00 WT3 O ATOM 42770 H1 TIP3 5476 42.732 88.224 3.221 1.00 0.00 WT3 H ATOM 42771 H2 TIP3 5476 44.206 88.255 2.877 1.00 0.00 WT3 H ATOM 42772 OH2 TIP3 5477 49.948 68.258 48.372 1.00 0.00 WT3 O ATOM 42773 H1 TIP3 5477 49.507 69.034 48.718 1.00 0.00 WT3 H ATOM 42774 H2 TIP3 5477 49.413 67.524 48.673 1.00 0.00 WT3 H ATOM 42775 OH2 TIP3 5478 62.651 68.160 37.341 1.00 0.00 WT3 O ATOM 42776 H1 TIP3 5478 61.986 68.778 37.645 1.00 0.00 WT3 H ATOM 42777 H2 TIP3 5478 62.312 67.834 36.507 1.00 0.00 WT3 H ATOM 42778 OH2 TIP3 5479 90.056 60.820 -14.927 1.00 0.00 WT3 O ATOM 42779 H1 TIP3 5479 89.157 60.493 -14.925 1.00 0.00 WT3 H ATOM 42780 H2 TIP3 5479 89.993 61.698 -14.551 1.00 0.00 WT3 H ATOM 42781 OH2 TIP3 5480 66.408 72.163 29.912 1.00 0.00 WT3 O ATOM 42782 H1 TIP3 5480 66.017 71.364 29.559 1.00 0.00 WT3 H ATOM 42783 H2 TIP3 5480 65.712 72.559 30.437 1.00 0.00 WT3 H ATOM 42784 OH2 TIP3 5481 60.236 79.840 37.012 1.00 0.00 WT3 O ATOM 42785 H1 TIP3 5481 59.781 79.316 37.671 1.00 0.00 WT3 H ATOM 42786 H2 TIP3 5481 59.637 79.858 36.265 1.00 0.00 WT3 H ATOM 42787 OH2 TIP3 5482 64.613 27.637 60.375 1.00 0.00 WT3 O ATOM 42788 H1 TIP3 5482 65.034 28.452 60.102 1.00 0.00 WT3 H ATOM 42789 H2 TIP3 5482 63.951 27.472 59.703 1.00 0.00 WT3 H ATOM 42790 OH2 TIP3 5484 25.960 83.211 34.918 1.00 0.00 WT3 O ATOM 42791 H1 TIP3 5484 25.594 82.560 34.319 1.00 0.00 WT3 H ATOM 42792 H2 TIP3 5484 26.877 82.957 35.018 1.00 0.00 WT3 H ATOM 42793 OH2 TIP3 5485 90.599 76.000 -3.555 1.00 0.00 WT3 O ATOM 42794 H1 TIP3 5485 89.697 75.680 -3.565 1.00 0.00 WT3 H ATOM 42795 H2 TIP3 5485 91.000 75.563 -2.803 1.00 0.00 WT3 H ATOM 42796 OH2 TIP3 5487 74.031 30.963 31.591 1.00 0.00 WT3 O ATOM 42797 H1 TIP3 5487 74.896 30.568 31.487 1.00 0.00 WT3 H ATOM 42798 H2 TIP3 5487 74.206 31.839 31.935 1.00 0.00 WT3 H ATOM 42799 OH2 TIP3 5489 72.378 34.108 56.211 1.00 0.00 WT3 O ATOM 42800 H1 TIP3 5489 73.264 33.786 56.374 1.00 0.00 WT3 H ATOM 42801 H2 TIP3 5489 72.380 34.358 55.287 1.00 0.00 WT3 H ATOM 42802 OH2 TIP3 5490 36.474 12.338 38.716 1.00 0.00 WT3 O ATOM 42803 H1 TIP3 5490 35.656 12.364 38.220 1.00 0.00 WT3 H ATOM 42804 H2 TIP3 5490 37.110 11.957 38.111 1.00 0.00 WT3 H ATOM 42805 OH2 TIP3 5491 77.737 95.403 -2.790 1.00 0.00 WT3 O ATOM 42806 H1 TIP3 5491 77.639 95.851 -3.630 1.00 0.00 WT3 H ATOM 42807 H2 TIP3 5491 77.014 95.734 -2.256 1.00 0.00 WT3 H ATOM 42808 OH2 TIP3 5492 43.264 51.962 61.896 1.00 0.00 WT3 O ATOM 42809 H1 TIP3 5492 42.631 52.069 62.605 1.00 0.00 WT3 H ATOM 42810 H2 TIP3 5492 43.418 52.851 61.576 1.00 0.00 WT3 H ATOM 42811 OH2 TIP3 5493 72.053 53.620 3.828 1.00 0.00 WT3 O ATOM 42812 H1 TIP3 5493 71.733 52.947 3.227 1.00 0.00 WT3 H ATOM 42813 H2 TIP3 5493 71.779 53.317 4.694 1.00 0.00 WT3 H ATOM 42814 OH2 TIP3 5494 84.531 86.666 10.190 1.00 0.00 WT3 O ATOM 42815 H1 TIP3 5494 85.222 86.458 10.819 1.00 0.00 WT3 H ATOM 42816 H2 TIP3 5494 84.747 87.544 9.877 1.00 0.00 WT3 H ATOM 42817 OH2 TIP3 5496 50.931 86.988 17.432 1.00 0.00 WT3 O ATOM 42818 H1 TIP3 5496 51.002 86.665 18.331 1.00 0.00 WT3 H ATOM 42819 H2 TIP3 5496 50.674 86.220 16.921 1.00 0.00 WT3 H ATOM 42820 OH2 TIP3 5497 85.065 2.626 -11.405 1.00 0.00 WT3 O ATOM 42821 H1 TIP3 5497 84.804 1.899 -11.970 1.00 0.00 WT3 H ATOM 42822 H2 TIP3 5497 85.908 2.357 -11.041 1.00 0.00 WT3 H ATOM 42823 OH2 TIP3 5498 56.618 22.316 27.774 1.00 0.00 WT3 O ATOM 42824 H1 TIP3 5498 56.666 22.567 26.852 1.00 0.00 WT3 H ATOM 42825 H2 TIP3 5498 55.681 22.239 27.953 1.00 0.00 WT3 H ATOM 42826 OH2 TIP3 5503 51.232 18.620 -4.965 1.00 0.00 WT3 O ATOM 42827 H1 TIP3 5503 52.022 18.655 -4.426 1.00 0.00 WT3 H ATOM 42828 H2 TIP3 5503 51.088 19.526 -5.239 1.00 0.00 WT3 H ATOM 42829 OH2 TIP3 5504 65.712 77.342 11.044 1.00 0.00 WT3 O ATOM 42830 H1 TIP3 5504 65.354 76.876 10.288 1.00 0.00 WT3 H ATOM 42831 H2 TIP3 5504 64.956 77.775 11.439 1.00 0.00 WT3 H ATOM 42832 OH2 TIP3 5505 29.269 2.238 35.603 1.00 0.00 WT3 O ATOM 42833 H1 TIP3 5505 28.956 2.105 34.708 1.00 0.00 WT3 H ATOM 42834 H2 TIP3 5505 30.036 2.804 35.507 1.00 0.00 WT3 H ATOM 42835 OH2 TIP3 5513 83.919 36.375 53.127 1.00 0.00 WT3 O ATOM 42836 H1 TIP3 5513 84.837 36.139 53.263 1.00 0.00 WT3 H ATOM 42837 H2 TIP3 5513 83.914 37.332 53.131 1.00 0.00 WT3 H ATOM 42838 OH2 TIP3 5514 79.516 2.112 46.332 1.00 0.00 WT3 O ATOM 42839 H1 TIP3 5514 80.077 2.774 46.737 1.00 0.00 WT3 H ATOM 42840 H2 TIP3 5514 80.076 1.691 45.679 1.00 0.00 WT3 H ATOM 42841 OH2 TIP3 5517 38.445 79.727 36.784 1.00 0.00 WT3 O ATOM 42842 H1 TIP3 5517 37.555 80.078 36.803 1.00 0.00 WT3 H ATOM 42843 H2 TIP3 5517 38.604 79.525 35.862 1.00 0.00 WT3 H ATOM 42844 OH2 TIP3 5518 34.420 38.035 47.621 1.00 0.00 WT3 O ATOM 42845 H1 TIP3 5518 35.339 38.200 47.835 1.00 0.00 WT3 H ATOM 42846 H2 TIP3 5518 33.969 38.844 47.861 1.00 0.00 WT3 H ATOM 42847 OH2 TIP3 5519 30.740 23.344 -6.291 1.00 0.00 WT3 O ATOM 42848 H1 TIP3 5519 30.680 24.261 -6.560 1.00 0.00 WT3 H ATOM 42849 H2 TIP3 5519 30.124 23.267 -5.562 1.00 0.00 WT3 H ATOM 42850 OH2 TIP3 5520 74.454 84.229 67.063 1.00 0.00 WT3 O ATOM 42851 H1 TIP3 5520 74.639 84.992 67.611 1.00 0.00 WT3 H ATOM 42852 H2 TIP3 5520 75.315 83.929 66.771 1.00 0.00 WT3 H ATOM 42853 OH2 TIP3 5523 72.416 58.385 64.153 1.00 0.00 WT3 O ATOM 42854 H1 TIP3 5523 71.759 57.694 64.228 1.00 0.00 WT3 H ATOM 42855 H2 TIP3 5523 73.238 57.964 64.406 1.00 0.00 WT3 H ATOM 42856 OH2 TIP3 5526 27.959 57.034 22.359 1.00 0.00 WT3 O ATOM 42857 H1 TIP3 5526 28.506 56.251 22.422 1.00 0.00 WT3 H ATOM 42858 H2 TIP3 5526 28.578 57.763 22.407 1.00 0.00 WT3 H ATOM 42859 OH2 TIP3 5528 86.511 68.991 9.673 1.00 0.00 WT3 O ATOM 42860 H1 TIP3 5528 87.454 68.880 9.544 1.00 0.00 WT3 H ATOM 42861 H2 TIP3 5528 86.241 68.207 10.152 1.00 0.00 WT3 H ATOM 42862 OH2 TIP3 5529 75.801 40.565 19.306 1.00 0.00 WT3 O ATOM 42863 H1 TIP3 5529 76.346 40.599 18.520 1.00 0.00 WT3 H ATOM 42864 H2 TIP3 5529 74.920 40.774 18.996 1.00 0.00 WT3 H ATOM 42865 OH2 TIP3 5537 79.486 22.769 53.920 1.00 0.00 WT3 O ATOM 42866 H1 TIP3 5537 80.021 23.053 53.179 1.00 0.00 WT3 H ATOM 42867 H2 TIP3 5537 78.674 23.269 53.835 1.00 0.00 WT3 H ATOM 42868 OH2 TIP3 5538 84.555 64.370 -3.455 1.00 0.00 WT3 O ATOM 42869 H1 TIP3 5538 84.865 65.218 -3.771 1.00 0.00 WT3 H ATOM 42870 H2 TIP3 5538 85.341 63.825 -3.419 1.00 0.00 WT3 H ATOM 42871 OH2 TIP3 5544 79.906 9.487 50.522 1.00 0.00 WT3 O ATOM 42872 H1 TIP3 5544 78.953 9.567 50.553 1.00 0.00 WT3 H ATOM 42873 H2 TIP3 5544 80.207 10.328 50.178 1.00 0.00 WT3 H ATOM 42874 OH2 TIP3 5553 82.665 92.073 53.574 1.00 0.00 WT3 O ATOM 42875 H1 TIP3 5553 82.071 92.816 53.469 1.00 0.00 WT3 H ATOM 42876 H2 TIP3 5553 83.421 92.290 53.030 1.00 0.00 WT3 H ATOM 42877 OH2 TIP3 5561 54.762 46.968 41.756 1.00 0.00 WT3 O ATOM 42878 H1 TIP3 5561 54.361 46.264 42.266 1.00 0.00 WT3 H ATOM 42879 H2 TIP3 5561 55.088 46.536 40.966 1.00 0.00 WT3 H ATOM 42880 OH2 TIP3 5650 72.903 54.259 -13.383 1.00 0.00 WT3 O ATOM 42881 H1 TIP3 5650 73.033 53.753 -14.185 1.00 0.00 WT3 H ATOM 42882 H2 TIP3 5650 72.430 53.667 -12.799 1.00 0.00 WT3 H ATOM 42883 OH2 TIP3 5654 70.924 80.176 10.879 1.00 0.00 WT3 O ATOM 42884 H1 TIP3 5654 70.718 80.060 9.952 1.00 0.00 WT3 H ATOM 42885 H2 TIP3 5654 70.227 80.742 11.211 1.00 0.00 WT3 H ATOM 42886 OH2 TIP3 5669 89.344 51.927 58.934 1.00 0.00 WT3 O ATOM 42887 H1 TIP3 5669 89.930 52.208 58.231 1.00 0.00 WT3 H ATOM 42888 H2 TIP3 5669 89.846 52.071 59.736 1.00 0.00 WT3 H ATOM 42889 OH2 TIP3 5676 51.431 81.574 9.878 1.00 0.00 WT3 O ATOM 42890 H1 TIP3 5676 51.081 81.360 10.742 1.00 0.00 WT3 H ATOM 42891 H2 TIP3 5676 50.844 81.131 9.265 1.00 0.00 WT3 H ATOM 42892 OH2 TIP3 5678 22.630 37.851 57.412 1.00 0.00 WT3 O ATOM 42893 H1 TIP3 5678 21.853 37.310 57.273 1.00 0.00 WT3 H ATOM 42894 H2 TIP3 5678 23.365 37.245 57.314 1.00 0.00 WT3 H ATOM 42895 OH2 TIP3 5679 23.817 49.230 20.932 1.00 0.00 WT3 O ATOM 42896 H1 TIP3 5679 23.623 50.140 20.709 1.00 0.00 WT3 H ATOM 42897 H2 TIP3 5679 24.725 49.245 21.235 1.00 0.00 WT3 H ATOM 42898 OH2 TIP3 5690 35.556 70.922 18.030 1.00 0.00 WT3 O ATOM 42899 H1 TIP3 5690 35.983 70.864 18.884 1.00 0.00 WT3 H ATOM 42900 H2 TIP3 5690 36.222 70.630 17.408 1.00 0.00 WT3 H ATOM 42901 OH2 TIP3 5691 30.879 75.506 39.351 1.00 0.00 WT3 O ATOM 42902 H1 TIP3 5691 31.190 74.901 38.677 1.00 0.00 WT3 H ATOM 42903 H2 TIP3 5691 30.835 74.977 40.147 1.00 0.00 WT3 H ATOM 42904 OH2 TIP3 5692 82.093 71.542 23.125 1.00 0.00 WT3 O ATOM 42905 H1 TIP3 5692 82.538 72.379 23.256 1.00 0.00 WT3 H ATOM 42906 H2 TIP3 5692 82.637 70.905 23.589 1.00 0.00 WT3 H ATOM 42907 OH2 TIP3 5697 46.607 43.835 49.527 1.00 0.00 WT3 O ATOM 42908 H1 TIP3 5697 46.541 44.788 49.592 1.00 0.00 WT3 H ATOM 42909 H2 TIP3 5697 46.798 43.670 48.604 1.00 0.00 WT3 H ATOM 42910 OH2 TIP3 5706 21.521 82.488 -9.628 1.00 0.00 WT3 O ATOM 42911 H1 TIP3 5706 21.026 82.032 -8.947 1.00 0.00 WT3 H ATOM 42912 H2 TIP3 5706 22.404 82.570 -9.269 1.00 0.00 WT3 H ATOM 42913 OH2 TIP3 5710 33.985 69.388 0.324 1.00 0.00 WT3 O ATOM 42914 H1 TIP3 5710 33.950 70.143 -0.264 1.00 0.00 WT3 H ATOM 42915 H2 TIP3 5710 34.839 68.991 0.153 1.00 0.00 WT3 H ATOM 42916 OH2 TIP3 5711 81.191 4.042 -8.197 1.00 0.00 WT3 O ATOM 42917 H1 TIP3 5711 80.257 3.856 -8.296 1.00 0.00 WT3 H ATOM 42918 H2 TIP3 5711 81.220 4.864 -7.706 1.00 0.00 WT3 H ATOM 42919 OH2 TIP3 5714 28.846 31.684 28.178 1.00 0.00 WT3 O ATOM 42920 H1 TIP3 5714 27.956 31.916 28.442 1.00 0.00 WT3 H ATOM 42921 H2 TIP3 5714 29.119 31.021 28.812 1.00 0.00 WT3 H ATOM 42922 OH2 TIP3 5715 48.971 54.238 -16.704 1.00 0.00 WT3 O ATOM 42923 H1 TIP3 5715 49.286 53.338 -16.622 1.00 0.00 WT3 H ATOM 42924 H2 TIP3 5715 49.256 54.667 -15.897 1.00 0.00 WT3 H ATOM 42925 OH2 TIP3 5720 67.668 39.619 26.048 1.00 0.00 WT3 O ATOM 42926 H1 TIP3 5720 66.884 40.128 25.844 1.00 0.00 WT3 H ATOM 42927 H2 TIP3 5720 68.136 39.553 25.216 1.00 0.00 WT3 H ATOM 42928 OH2 TIP3 5723 32.374 94.168 -12.940 1.00 0.00 WT3 O ATOM 42929 H1 TIP3 5723 32.410 94.991 -13.428 1.00 0.00 WT3 H ATOM 42930 H2 TIP3 5723 33.072 93.634 -13.318 1.00 0.00 WT3 H ATOM 42931 OH2 TIP3 5727 44.222 88.255 33.630 1.00 0.00 WT3 O ATOM 42932 H1 TIP3 5727 44.467 87.486 34.145 1.00 0.00 WT3 H ATOM 42933 H2 TIP3 5727 43.585 87.926 32.996 1.00 0.00 WT3 H ATOM 42934 OH2 TIP3 5733 76.271 63.312 40.834 1.00 0.00 WT3 O ATOM 42935 H1 TIP3 5733 75.433 63.027 40.470 1.00 0.00 WT3 H ATOM 42936 H2 TIP3 5733 76.384 62.780 41.622 1.00 0.00 WT3 H ATOM 42937 OH2 TIP3 5734 34.754 34.959 -1.238 1.00 0.00 WT3 O ATOM 42938 H1 TIP3 5734 34.639 35.201 -0.319 1.00 0.00 WT3 H ATOM 42939 H2 TIP3 5734 35.334 35.633 -1.593 1.00 0.00 WT3 H ATOM 42940 OH2 TIP3 5736 74.250 65.581 20.503 1.00 0.00 WT3 O ATOM 42941 H1 TIP3 5736 74.611 64.978 21.153 1.00 0.00 WT3 H ATOM 42942 H2 TIP3 5736 73.906 66.311 21.017 1.00 0.00 WT3 H ATOM 42943 OH2 TIP3 5738 54.834 55.025 -3.967 1.00 0.00 WT3 O ATOM 42944 H1 TIP3 5738 55.465 55.355 -3.328 1.00 0.00 WT3 H ATOM 42945 H2 TIP3 5738 54.182 54.560 -3.442 1.00 0.00 WT3 H ATOM 42946 OH2 TIP3 5744 79.152 52.259 63.166 1.00 0.00 WT3 O ATOM 42947 H1 TIP3 5744 78.530 52.762 63.692 1.00 0.00 WT3 H ATOM 42948 H2 TIP3 5744 79.951 52.785 63.172 1.00 0.00 WT3 H ATOM 42949 OH2 TIP3 5749 27.692 85.210 38.830 1.00 0.00 WT3 O ATOM 42950 H1 TIP3 5749 27.847 85.926 38.214 1.00 0.00 WT3 H ATOM 42951 H2 TIP3 5749 26.847 84.845 38.566 1.00 0.00 WT3 H ATOM 42952 OH2 TIP3 5750 44.677 93.244 -16.900 1.00 0.00 WT3 O ATOM 42953 H1 TIP3 5750 44.385 93.583 -16.054 1.00 0.00 WT3 H ATOM 42954 H2 TIP3 5750 43.965 92.673 -17.188 1.00 0.00 WT3 H ATOM 42955 OH2 TIP3 5753 80.176 53.167 23.193 1.00 0.00 WT3 O ATOM 42956 H1 TIP3 5753 80.331 52.273 23.498 1.00 0.00 WT3 H ATOM 42957 H2 TIP3 5753 80.957 53.386 22.686 1.00 0.00 WT3 H ATOM 42958 OH2 TIP3 5754 63.081 22.925 7.731 1.00 0.00 WT3 O ATOM 42959 H1 TIP3 5754 62.311 22.379 7.891 1.00 0.00 WT3 H ATOM 42960 H2 TIP3 5754 63.099 23.040 6.780 1.00 0.00 WT3 H ATOM 42961 OH2 TIP3 5755 69.939 73.068 27.844 1.00 0.00 WT3 O ATOM 42962 H1 TIP3 5755 69.184 73.499 27.445 1.00 0.00 WT3 H ATOM 42963 H2 TIP3 5755 69.698 72.142 27.876 1.00 0.00 WT3 H ATOM 42964 OH2 TIP3 5756 22.787 86.872 -13.136 1.00 0.00 WT3 O ATOM 42965 H1 TIP3 5756 22.501 85.971 -13.286 1.00 0.00 WT3 H ATOM 42966 H2 TIP3 5756 21.978 87.358 -12.977 1.00 0.00 WT3 H ATOM 42967 OH2 TIP3 5757 23.539 25.768 -3.001 1.00 0.00 WT3 O ATOM 42968 H1 TIP3 5757 23.345 26.679 -3.224 1.00 0.00 WT3 H ATOM 42969 H2 TIP3 5757 24.495 25.725 -2.980 1.00 0.00 WT3 H ATOM 42970 OH2 TIP3 5758 89.353 69.711 9.579 1.00 0.00 WT3 O ATOM 42971 H1 TIP3 5758 89.588 70.362 10.240 1.00 0.00 WT3 H ATOM 42972 H2 TIP3 5758 89.732 68.894 9.901 1.00 0.00 WT3 H ATOM 42973 OH2 TIP3 5764 80.696 59.213 61.741 1.00 0.00 WT3 O ATOM 42974 H1 TIP3 5764 79.879 58.929 62.152 1.00 0.00 WT3 H ATOM 42975 H2 TIP3 5764 81.119 59.760 62.403 1.00 0.00 WT3 H ATOM 42976 OH2 TIP3 5768 29.035 36.522 29.708 1.00 0.00 WT3 O ATOM 42977 H1 TIP3 5768 29.151 35.994 28.918 1.00 0.00 WT3 H ATOM 42978 H2 TIP3 5768 29.036 37.427 29.394 1.00 0.00 WT3 H ATOM 42979 OH2 TIP3 5772 34.887 73.944 21.195 1.00 0.00 WT3 O ATOM 42980 H1 TIP3 5772 35.266 73.068 21.128 1.00 0.00 WT3 H ATOM 42981 H2 TIP3 5772 35.407 74.476 20.592 1.00 0.00 WT3 H ATOM 42982 OH2 TIP3 5774 52.006 39.798 -18.531 1.00 0.00 WT3 O ATOM 42983 H1 TIP3 5774 52.734 40.125 -19.058 1.00 0.00 WT3 H ATOM 42984 H2 TIP3 5774 52.130 40.203 -17.672 1.00 0.00 WT3 H ATOM 42985 OH2 TIP3 5776 64.637 74.426 -8.597 1.00 0.00 WT3 O ATOM 42986 H1 TIP3 5776 64.248 75.064 -7.998 1.00 0.00 WT3 H ATOM 42987 H2 TIP3 5776 65.561 74.396 -8.349 1.00 0.00 WT3 H ATOM 42988 OH2 TIP3 5777 52.253 73.031 55.632 1.00 0.00 WT3 O ATOM 42989 H1 TIP3 5777 51.952 72.191 55.284 1.00 0.00 WT3 H ATOM 42990 H2 TIP3 5777 51.744 73.154 56.434 1.00 0.00 WT3 H ATOM 42991 OH2 TIP3 5778 27.370 8.226 -9.311 1.00 0.00 WT3 O ATOM 42992 H1 TIP3 5778 26.442 8.065 -9.140 1.00 0.00 WT3 H ATOM 42993 H2 TIP3 5778 27.391 8.591 -10.196 1.00 0.00 WT3 H ATOM 42994 OH2 TIP3 5779 88.887 23.234 9.224 1.00 0.00 WT3 O ATOM 42995 H1 TIP3 5779 88.963 24.187 9.247 1.00 0.00 WT3 H ATOM 42996 H2 TIP3 5779 88.106 23.067 8.696 1.00 0.00 WT3 H ATOM 42997 OH2 TIP3 5780 69.612 38.234 30.168 1.00 0.00 WT3 O ATOM 42998 H1 TIP3 5780 70.452 38.235 29.709 1.00 0.00 WT3 H ATOM 42999 H2 TIP3 5780 68.996 38.615 29.542 1.00 0.00 WT3 H ATOM 43000 OH2 TIP3 5781 83.323 86.096 51.249 1.00 0.00 WT3 O ATOM 43001 H1 TIP3 5781 83.081 86.438 50.389 1.00 0.00 WT3 H ATOM 43002 H2 TIP3 5781 82.638 85.459 51.455 1.00 0.00 WT3 H ATOM 43003 OH2 TIP3 5782 28.121 30.327 11.427 1.00 0.00 WT3 O ATOM 43004 H1 TIP3 5782 28.819 30.948 11.219 1.00 0.00 WT3 H ATOM 43005 H2 TIP3 5782 28.506 29.467 11.256 1.00 0.00 WT3 H ATOM 43006 OH2 TIP3 5787 55.999 66.171 15.908 1.00 0.00 WT3 O ATOM 43007 H1 TIP3 5787 55.421 66.222 15.147 1.00 0.00 WT3 H ATOM 43008 H2 TIP3 5787 56.775 65.709 15.590 1.00 0.00 WT3 H ATOM 43009 OH2 TIP3 5790 63.228 67.372 29.018 1.00 0.00 WT3 O ATOM 43010 H1 TIP3 5790 63.117 66.638 28.414 1.00 0.00 WT3 H ATOM 43011 H2 TIP3 5790 62.336 67.659 29.214 1.00 0.00 WT3 H ATOM 43012 OH2 TIP3 5795 52.913 86.664 12.467 1.00 0.00 WT3 O ATOM 43013 H1 TIP3 5795 53.849 86.539 12.312 1.00 0.00 WT3 H ATOM 43014 H2 TIP3 5795 52.522 85.811 12.273 1.00 0.00 WT3 H ATOM 43015 OH2 TIP3 5797 88.920 15.225 -1.755 1.00 0.00 WT3 O ATOM 43016 H1 TIP3 5797 88.803 14.456 -1.197 1.00 0.00 WT3 H ATOM 43017 H2 TIP3 5797 89.865 15.276 -1.898 1.00 0.00 WT3 H ATOM 43018 OH2 TIP3 5798 63.196 20.531 -5.820 1.00 0.00 WT3 O ATOM 43019 H1 TIP3 5798 63.371 20.266 -4.917 1.00 0.00 WT3 H ATOM 43020 H2 TIP3 5798 64.004 20.958 -6.105 1.00 0.00 WT3 H ATOM 43021 OH2 TIP3 5799 53.234 89.646 58.187 1.00 0.00 WT3 O ATOM 43022 H1 TIP3 5799 52.976 89.407 57.297 1.00 0.00 WT3 H ATOM 43023 H2 TIP3 5799 53.468 90.572 58.129 1.00 0.00 WT3 H ATOM 43024 OH2 TIP3 5800 84.769 35.203 -8.704 1.00 0.00 WT3 O ATOM 43025 H1 TIP3 5800 84.220 35.970 -8.543 1.00 0.00 WT3 H ATOM 43026 H2 TIP3 5800 84.450 34.546 -8.085 1.00 0.00 WT3 H ATOM 43027 OH2 TIP3 5801 65.646 75.760 14.873 1.00 0.00 WT3 O ATOM 43028 H1 TIP3 5801 66.074 74.908 14.952 1.00 0.00 WT3 H ATOM 43029 H2 TIP3 5801 65.270 75.921 15.739 1.00 0.00 WT3 H ATOM 43030 OH2 TIP3 5802 68.597 7.955 12.422 1.00 0.00 WT3 O ATOM 43031 H1 TIP3 5802 68.684 7.582 13.300 1.00 0.00 WT3 H ATOM 43032 H2 TIP3 5802 69.190 7.435 11.880 1.00 0.00 WT3 H ATOM 43033 OH2 TIP3 5803 48.316 66.275 2.862 1.00 0.00 WT3 O ATOM 43034 H1 TIP3 5803 47.805 65.772 3.496 1.00 0.00 WT3 H ATOM 43035 H2 TIP3 5803 49.225 66.153 3.136 1.00 0.00 WT3 H ATOM 43036 OH2 TIP3 5808 81.279 26.828 28.512 1.00 0.00 WT3 O ATOM 43037 H1 TIP3 5808 80.655 27.005 29.216 1.00 0.00 WT3 H ATOM 43038 H2 TIP3 5808 82.073 26.539 28.962 1.00 0.00 WT3 H ATOM 43039 OH2 TIP3 5809 63.888 95.052 25.020 1.00 0.00 WT3 O ATOM 43040 H1 TIP3 5809 63.162 95.664 25.142 1.00 0.00 WT3 H ATOM 43041 H2 TIP3 5809 63.469 94.197 24.930 1.00 0.00 WT3 H ATOM 43042 OH2 TIP3 5810 71.114 24.714 41.303 1.00 0.00 WT3 O ATOM 43043 H1 TIP3 5810 70.454 24.204 41.772 1.00 0.00 WT3 H ATOM 43044 H2 TIP3 5810 71.437 24.121 40.624 1.00 0.00 WT3 H ATOM 43045 OH2 TIP3 5812 79.497 90.046 18.593 1.00 0.00 WT3 O ATOM 43046 H1 TIP3 5812 79.382 90.901 19.009 1.00 0.00 WT3 H ATOM 43047 H2 TIP3 5812 78.657 89.604 18.718 1.00 0.00 WT3 H ATOM 43048 OH2 TIP3 5813 75.134 66.036 51.327 1.00 0.00 WT3 O ATOM 43049 H1 TIP3 5813 74.872 66.936 51.136 1.00 0.00 WT3 H ATOM 43050 H2 TIP3 5813 75.940 66.123 51.835 1.00 0.00 WT3 H ATOM 43051 OH2 TIP3 5814 69.687 45.093 -5.126 1.00 0.00 WT3 O ATOM 43052 H1 TIP3 5814 70.250 44.849 -4.391 1.00 0.00 WT3 H ATOM 43053 H2 TIP3 5814 68.923 45.500 -4.718 1.00 0.00 WT3 H ATOM 43054 OH2 TIP3 5815 45.485 96.586 47.387 1.00 0.00 WT3 O ATOM 43055 H1 TIP3 5815 44.797 96.229 47.949 1.00 0.00 WT3 H ATOM 43056 H2 TIP3 5815 46.179 95.928 47.410 1.00 0.00 WT3 H ATOM 43057 OH2 TIP3 5816 66.440 61.447 26.960 1.00 0.00 WT3 O ATOM 43058 H1 TIP3 5816 65.939 60.668 26.716 1.00 0.00 WT3 H ATOM 43059 H2 TIP3 5816 65.984 61.796 27.725 1.00 0.00 WT3 H ATOM 43060 OH2 TIP3 5817 68.779 56.040 35.228 1.00 0.00 WT3 O ATOM 43061 H1 TIP3 5817 69.093 56.482 34.439 1.00 0.00 WT3 H ATOM 43062 H2 TIP3 5817 67.877 55.792 35.022 1.00 0.00 WT3 H ATOM 43063 OH2 TIP3 5818 36.042 12.227 46.253 1.00 0.00 WT3 O ATOM 43064 H1 TIP3 5818 36.755 11.607 46.413 1.00 0.00 WT3 H ATOM 43065 H2 TIP3 5818 36.406 12.855 45.629 1.00 0.00 WT3 H ATOM 43066 OH2 TIP3 5819 43.689 80.813 7.808 1.00 0.00 WT3 O ATOM 43067 H1 TIP3 5819 44.460 81.326 7.567 1.00 0.00 WT3 H ATOM 43068 H2 TIP3 5819 43.847 80.555 8.717 1.00 0.00 WT3 H ATOM 43069 OH2 TIP3 5820 73.389 76.374 61.725 1.00 0.00 WT3 O ATOM 43070 H1 TIP3 5820 74.095 76.684 62.293 1.00 0.00 WT3 H ATOM 43071 H2 TIP3 5820 73.568 75.441 61.608 1.00 0.00 WT3 H ATOM 43072 OH2 TIP3 5821 32.298 51.321 15.825 1.00 0.00 WT3 O ATOM 43073 H1 TIP3 5821 32.202 51.084 14.902 1.00 0.00 WT3 H ATOM 43074 H2 TIP3 5821 33.102 50.880 16.102 1.00 0.00 WT3 H ATOM 43075 OH2 TIP3 5823 35.585 67.479 15.748 1.00 0.00 WT3 O ATOM 43076 H1 TIP3 5823 36.490 67.688 15.517 1.00 0.00 WT3 H ATOM 43077 H2 TIP3 5823 35.524 66.530 15.641 1.00 0.00 WT3 H ATOM 43078 OH2 TIP3 5827 59.680 1.856 20.891 1.00 0.00 WT3 O ATOM 43079 H1 TIP3 5827 59.141 1.454 20.210 1.00 0.00 WT3 H ATOM 43080 H2 TIP3 5827 60.107 2.594 20.456 1.00 0.00 WT3 H ATOM 43081 OH2 TIP3 5828 84.610 73.371 45.862 1.00 0.00 WT3 O ATOM 43082 H1 TIP3 5828 84.556 72.425 45.995 1.00 0.00 WT3 H ATOM 43083 H2 TIP3 5828 83.837 73.585 45.339 1.00 0.00 WT3 H ATOM 43084 OH2 TIP3 5829 51.832 92.260 -4.338 1.00 0.00 WT3 O ATOM 43085 H1 TIP3 5829 51.582 91.374 -4.077 1.00 0.00 WT3 H ATOM 43086 H2 TIP3 5829 51.506 92.346 -5.235 1.00 0.00 WT3 H ATOM 43087 OH2 TIP3 5830 56.218 72.950 31.068 1.00 0.00 WT3 O ATOM 43088 H1 TIP3 5830 55.558 72.645 30.445 1.00 0.00 WT3 H ATOM 43089 H2 TIP3 5830 55.959 72.560 31.903 1.00 0.00 WT3 H ATOM 43090 OH2 TIP3 5832 89.523 87.833 11.494 1.00 0.00 WT3 O ATOM 43091 H1 TIP3 5832 89.628 86.979 11.913 1.00 0.00 WT3 H ATOM 43092 H2 TIP3 5832 89.803 88.462 12.159 1.00 0.00 WT3 H ATOM 43093 OH2 TIP3 5835 47.744 81.329 52.449 1.00 0.00 WT3 O ATOM 43094 H1 TIP3 5835 47.172 81.906 52.954 1.00 0.00 WT3 H ATOM 43095 H2 TIP3 5835 47.185 80.591 52.204 1.00 0.00 WT3 H ATOM 43096 OH2 TIP3 5836 42.720 17.765 65.208 1.00 0.00 WT3 O ATOM 43097 H1 TIP3 5836 42.227 18.586 65.226 1.00 0.00 WT3 H ATOM 43098 H2 TIP3 5836 42.349 17.246 65.921 1.00 0.00 WT3 H ATOM 43099 OH2 TIP3 5837 37.629 73.359 -5.224 1.00 0.00 WT3 O ATOM 43100 H1 TIP3 5837 38.011 72.539 -4.914 1.00 0.00 WT3 H ATOM 43101 H2 TIP3 5837 38.383 73.915 -5.423 1.00 0.00 WT3 H ATOM 43102 OH2 TIP3 5838 84.710 29.765 49.064 1.00 0.00 WT3 O ATOM 43103 H1 TIP3 5838 84.791 29.450 48.164 1.00 0.00 WT3 H ATOM 43104 H2 TIP3 5838 85.589 30.070 49.291 1.00 0.00 WT3 H ATOM 43105 OH2 TIP3 5839 75.075 28.432 56.742 1.00 0.00 WT3 O ATOM 43106 H1 TIP3 5839 75.684 27.728 56.963 1.00 0.00 WT3 H ATOM 43107 H2 TIP3 5839 75.414 28.795 55.924 1.00 0.00 WT3 H ATOM 43108 OH2 TIP3 5840 61.220 67.551 52.813 1.00 0.00 WT3 O ATOM 43109 H1 TIP3 5840 61.627 66.716 53.043 1.00 0.00 WT3 H ATOM 43110 H2 TIP3 5840 60.693 67.357 52.038 1.00 0.00 WT3 H ATOM 43111 OH2 TIP3 5841 69.810 45.096 -7.706 1.00 0.00 WT3 O ATOM 43112 H1 TIP3 5841 68.886 45.109 -7.953 1.00 0.00 WT3 H ATOM 43113 H2 TIP3 5841 69.827 44.650 -6.859 1.00 0.00 WT3 H ATOM 43114 OH2 TIP3 5842 77.775 78.323 -13.978 1.00 0.00 WT3 O ATOM 43115 H1 TIP3 5842 78.354 77.813 -14.544 1.00 0.00 WT3 H ATOM 43116 H2 TIP3 5842 77.131 77.690 -13.660 1.00 0.00 WT3 H ATOM 43117 OH2 TIP3 5843 45.296 86.400 61.778 1.00 0.00 WT3 O ATOM 43118 H1 TIP3 5843 45.890 87.130 61.953 1.00 0.00 WT3 H ATOM 43119 H2 TIP3 5843 45.714 85.645 62.194 1.00 0.00 WT3 H ATOM 43120 OH2 TIP3 5844 67.134 19.760 19.685 1.00 0.00 WT3 O ATOM 43121 H1 TIP3 5844 67.490 20.267 18.955 1.00 0.00 WT3 H ATOM 43122 H2 TIP3 5844 67.039 18.873 19.337 1.00 0.00 WT3 H ATOM 43123 OH2 TIP3 5845 64.777 52.625 -18.160 1.00 0.00 WT3 O ATOM 43124 H1 TIP3 5845 64.667 53.511 -18.507 1.00 0.00 WT3 H ATOM 43125 H2 TIP3 5845 63.959 52.445 -17.697 1.00 0.00 WT3 H ATOM 43126 OH2 TIP3 5846 84.259 47.321 52.788 1.00 0.00 WT3 O ATOM 43127 H1 TIP3 5846 83.957 48.055 53.323 1.00 0.00 WT3 H ATOM 43128 H2 TIP3 5846 83.795 46.561 53.140 1.00 0.00 WT3 H ATOM 43129 OH2 TIP3 5848 74.299 61.215 -0.573 1.00 0.00 WT3 O ATOM 43130 H1 TIP3 5848 74.585 60.878 0.276 1.00 0.00 WT3 H ATOM 43131 H2 TIP3 5848 73.801 60.496 -0.962 1.00 0.00 WT3 H ATOM 43132 OH2 TIP3 5850 46.529 41.690 66.188 1.00 0.00 WT3 O ATOM 43133 H1 TIP3 5850 45.600 41.586 66.391 1.00 0.00 WT3 H ATOM 43134 H2 TIP3 5850 46.745 42.571 66.494 1.00 0.00 WT3 H ATOM 43135 OH2 TIP3 5851 39.191 7.028 14.850 1.00 0.00 WT3 O ATOM 43136 H1 TIP3 5851 39.213 6.306 15.478 1.00 0.00 WT3 H ATOM 43137 H2 TIP3 5851 40.111 7.243 14.698 1.00 0.00 WT3 H ATOM 43138 OH2 TIP3 5853 27.839 59.407 -8.987 1.00 0.00 WT3 O ATOM 43139 H1 TIP3 5853 27.610 58.528 -9.290 1.00 0.00 WT3 H ATOM 43140 H2 TIP3 5853 27.109 59.665 -8.425 1.00 0.00 WT3 H ATOM 43141 OH2 TIP3 5854 51.770 70.208 55.756 1.00 0.00 WT3 O ATOM 43142 H1 TIP3 5854 50.852 70.173 56.025 1.00 0.00 WT3 H ATOM 43143 H2 TIP3 5854 51.802 69.700 54.945 1.00 0.00 WT3 H ATOM 43144 OH2 TIP3 5855 49.801 85.994 42.587 1.00 0.00 WT3 O ATOM 43145 H1 TIP3 5855 49.378 85.539 41.858 1.00 0.00 WT3 H ATOM 43146 H2 TIP3 5855 49.317 85.708 43.361 1.00 0.00 WT3 H ATOM 43147 OH2 TIP3 5856 57.258 4.792 16.973 1.00 0.00 WT3 O ATOM 43148 H1 TIP3 5856 57.987 4.268 17.304 1.00 0.00 WT3 H ATOM 43149 H2 TIP3 5856 56.569 4.687 17.628 1.00 0.00 WT3 H ATOM 43150 OH2 TIP3 5857 36.158 91.528 29.243 1.00 0.00 WT3 O ATOM 43151 H1 TIP3 5857 35.913 90.790 28.684 1.00 0.00 WT3 H ATOM 43152 H2 TIP3 5857 36.553 92.162 28.644 1.00 0.00 WT3 H ATOM 43153 OH2 TIP3 5858 42.235 78.348 64.359 1.00 0.00 WT3 O ATOM 43154 H1 TIP3 5858 41.649 79.058 64.622 1.00 0.00 WT3 H ATOM 43155 H2 TIP3 5858 43.108 78.742 64.369 1.00 0.00 WT3 H ATOM 43156 OH2 TIP3 5859 27.949 77.270 34.420 1.00 0.00 WT3 O ATOM 43157 H1 TIP3 5859 28.585 76.851 33.839 1.00 0.00 WT3 H ATOM 43158 H2 TIP3 5859 28.425 77.406 35.239 1.00 0.00 WT3 H ATOM 43159 OH2 TIP3 5860 32.246 86.565 8.106 1.00 0.00 WT3 O ATOM 43160 H1 TIP3 5860 31.667 85.843 7.861 1.00 0.00 WT3 H ATOM 43161 H2 TIP3 5860 31.712 87.351 7.990 1.00 0.00 WT3 H ATOM 43162 OH2 TIP3 5861 72.755 63.020 -2.966 1.00 0.00 WT3 O ATOM 43163 H1 TIP3 5861 71.891 63.149 -2.576 1.00 0.00 WT3 H ATOM 43164 H2 TIP3 5861 73.357 63.465 -2.369 1.00 0.00 WT3 H ATOM 43165 OH2 TIP3 5862 77.749 82.765 3.066 1.00 0.00 WT3 O ATOM 43166 H1 TIP3 5862 77.285 83.535 2.738 1.00 0.00 WT3 H ATOM 43167 H2 TIP3 5862 78.666 83.036 3.107 1.00 0.00 WT3 H ATOM 43168 OH2 TIP3 5863 41.554 18.232 -2.977 1.00 0.00 WT3 O ATOM 43169 H1 TIP3 5863 41.342 17.502 -3.559 1.00 0.00 WT3 H ATOM 43170 H2 TIP3 5863 42.357 17.959 -2.534 1.00 0.00 WT3 H ATOM 43171 OH2 TIP3 5864 69.129 56.445 7.658 1.00 0.00 WT3 O ATOM 43172 H1 TIP3 5864 69.066 57.324 7.285 1.00 0.00 WT3 H ATOM 43173 H2 TIP3 5864 68.221 56.154 7.739 1.00 0.00 WT3 H ATOM 43174 OH2 TIP3 5865 74.366 64.115 -0.405 1.00 0.00 WT3 O ATOM 43175 H1 TIP3 5865 74.829 63.311 -0.169 1.00 0.00 WT3 H ATOM 43176 H2 TIP3 5865 73.446 63.923 -0.227 1.00 0.00 WT3 H ATOM 43177 OH2 TIP3 5866 72.486 94.026 6.318 1.00 0.00 WT3 O ATOM 43178 H1 TIP3 5866 73.350 93.656 6.136 1.00 0.00 WT3 H ATOM 43179 H2 TIP3 5866 71.892 93.539 5.747 1.00 0.00 WT3 H ATOM 43180 OH2 TIP3 5868 49.497 68.105 13.527 1.00 0.00 WT3 O ATOM 43181 H1 TIP3 5868 50.047 67.909 14.285 1.00 0.00 WT3 H ATOM 43182 H2 TIP3 5868 49.522 69.059 13.453 1.00 0.00 WT3 H ATOM 43183 OH2 TIP3 5870 53.174 18.744 -3.314 1.00 0.00 WT3 O ATOM 43184 H1 TIP3 5870 52.890 19.587 -2.961 1.00 0.00 WT3 H ATOM 43185 H2 TIP3 5870 53.841 18.439 -2.699 1.00 0.00 WT3 H ATOM 43186 OH2 TIP3 5871 29.433 4.464 12.257 1.00 0.00 WT3 O ATOM 43187 H1 TIP3 5871 30.061 4.821 12.885 1.00 0.00 WT3 H ATOM 43188 H2 TIP3 5871 29.959 4.246 11.488 1.00 0.00 WT3 H ATOM 43189 OH2 TIP3 5872 65.455 73.006 -12.125 1.00 0.00 WT3 O ATOM 43190 H1 TIP3 5872 64.744 72.411 -11.887 1.00 0.00 WT3 H ATOM 43191 H2 TIP3 5872 66.165 72.429 -12.408 1.00 0.00 WT3 H ATOM 43192 OH2 TIP3 5874 67.189 94.163 56.022 1.00 0.00 WT3 O ATOM 43193 H1 TIP3 5874 66.691 93.371 56.224 1.00 0.00 WT3 H ATOM 43194 H2 TIP3 5874 68.105 93.901 56.113 1.00 0.00 WT3 H ATOM 43195 OH2 TIP3 5875 49.009 81.347 -7.313 1.00 0.00 WT3 O ATOM 43196 H1 TIP3 5875 48.987 80.712 -6.596 1.00 0.00 WT3 H ATOM 43197 H2 TIP3 5875 48.928 80.816 -8.106 1.00 0.00 WT3 H ATOM 43198 OH2 TIP3 5876 20.079 69.631 17.360 1.00 0.00 WT3 O ATOM 43199 H1 TIP3 5876 20.281 70.100 16.549 1.00 0.00 WT3 H ATOM 43200 H2 TIP3 5876 20.927 69.520 17.790 1.00 0.00 WT3 H ATOM 43201 OH2 TIP3 5877 64.048 90.293 63.253 1.00 0.00 WT3 O ATOM 43202 H1 TIP3 5877 63.782 89.574 62.680 1.00 0.00 WT3 H ATOM 43203 H2 TIP3 5877 64.685 89.902 63.850 1.00 0.00 WT3 H ATOM 43204 OH2 TIP3 5878 32.045 6.993 6.017 1.00 0.00 WT3 O ATOM 43205 H1 TIP3 5878 31.514 7.211 5.251 1.00 0.00 WT3 H ATOM 43206 H2 TIP3 5878 31.544 7.333 6.759 1.00 0.00 WT3 H ATOM 43207 OH2 TIP3 5879 82.703 83.873 38.800 1.00 0.00 WT3 O ATOM 43208 H1 TIP3 5879 83.039 83.451 39.591 1.00 0.00 WT3 H ATOM 43209 H2 TIP3 5879 83.313 83.610 38.110 1.00 0.00 WT3 H ATOM 43210 OH2 TIP3 5880 32.893 62.362 37.174 1.00 0.00 WT3 O ATOM 43211 H1 TIP3 5880 32.292 62.850 36.610 1.00 0.00 WT3 H ATOM 43212 H2 TIP3 5880 33.735 62.405 36.721 1.00 0.00 WT3 H ATOM 43213 OH2 TIP3 5881 74.691 89.425 -17.327 1.00 0.00 WT3 O ATOM 43214 H1 TIP3 5881 73.990 88.874 -17.675 1.00 0.00 WT3 H ATOM 43215 H2 TIP3 5881 75.253 89.604 -18.081 1.00 0.00 WT3 H ATOM 43216 OH2 TIP3 5882 25.158 83.819 53.022 1.00 0.00 WT3 O ATOM 43217 H1 TIP3 5882 24.648 84.067 53.794 1.00 0.00 WT3 H ATOM 43218 H2 TIP3 5882 24.876 84.431 52.342 1.00 0.00 WT3 H ATOM 43219 OH2 TIP3 5883 33.975 69.329 13.206 1.00 0.00 WT3 O ATOM 43220 H1 TIP3 5883 34.919 69.340 13.045 1.00 0.00 WT3 H ATOM 43221 H2 TIP3 5883 33.872 69.758 14.055 1.00 0.00 WT3 H ATOM 43222 OH2 TIP3 5884 71.764 27.298 -9.868 1.00 0.00 WT3 O ATOM 43223 H1 TIP3 5884 72.434 27.695 -9.311 1.00 0.00 WT3 H ATOM 43224 H2 TIP3 5884 70.948 27.723 -9.602 1.00 0.00 WT3 H ATOM 43225 OH2 TIP3 5886 29.067 47.494 -16.278 1.00 0.00 WT3 O ATOM 43226 H1 TIP3 5886 28.870 46.698 -16.772 1.00 0.00 WT3 H ATOM 43227 H2 TIP3 5886 28.302 47.624 -15.718 1.00 0.00 WT3 H ATOM 43228 OH2 TIP3 5887 43.986 78.769 -4.014 1.00 0.00 WT3 O ATOM 43229 H1 TIP3 5887 44.247 78.327 -4.822 1.00 0.00 WT3 H ATOM 43230 H2 TIP3 5887 43.472 78.115 -3.539 1.00 0.00 WT3 H ATOM 43231 OH2 TIP3 5888 40.169 6.703 28.860 1.00 0.00 WT3 O ATOM 43232 H1 TIP3 5888 40.192 6.011 28.199 1.00 0.00 WT3 H ATOM 43233 H2 TIP3 5888 39.304 7.100 28.763 1.00 0.00 WT3 H ATOM 43234 OH2 TIP3 5889 56.843 75.415 3.676 1.00 0.00 WT3 O ATOM 43235 H1 TIP3 5889 57.799 75.457 3.686 1.00 0.00 WT3 H ATOM 43236 H2 TIP3 5889 56.631 74.638 4.193 1.00 0.00 WT3 H ATOM 43237 OH2 TIP3 5890 23.867 58.077 17.234 1.00 0.00 WT3 O ATOM 43238 H1 TIP3 5890 23.500 58.690 17.871 1.00 0.00 WT3 H ATOM 43239 H2 TIP3 5890 23.314 57.299 17.304 1.00 0.00 WT3 H ATOM 43240 OH2 TIP3 5891 62.806 15.120 6.924 1.00 0.00 WT3 O ATOM 43241 H1 TIP3 5891 62.363 14.610 6.246 1.00 0.00 WT3 H ATOM 43242 H2 TIP3 5891 63.736 15.048 6.709 1.00 0.00 WT3 H ATOM 43243 OH2 TIP3 5892 36.460 61.055 -6.999 1.00 0.00 WT3 O ATOM 43244 H1 TIP3 5892 35.916 61.778 -6.687 1.00 0.00 WT3 H ATOM 43245 H2 TIP3 5892 36.379 60.384 -6.321 1.00 0.00 WT3 H ATOM 43246 OH2 TIP3 5893 30.146 82.213 21.343 1.00 0.00 WT3 O ATOM 43247 H1 TIP3 5893 30.274 81.291 21.564 1.00 0.00 WT3 H ATOM 43248 H2 TIP3 5893 29.201 82.303 21.225 1.00 0.00 WT3 H ATOM 43249 OH2 TIP3 5894 28.642 58.949 29.815 1.00 0.00 WT3 O ATOM 43250 H1 TIP3 5894 28.558 58.258 29.158 1.00 0.00 WT3 H ATOM 43251 H2 TIP3 5894 29.586 59.039 29.948 1.00 0.00 WT3 H ATOM 43252 OH2 TIP3 5895 76.014 79.546 14.678 1.00 0.00 WT3 O ATOM 43253 H1 TIP3 5895 75.353 78.876 14.851 1.00 0.00 WT3 H ATOM 43254 H2 TIP3 5895 76.635 79.463 15.402 1.00 0.00 WT3 H ATOM 43255 OH2 TIP3 5898 79.579 67.028 18.924 1.00 0.00 WT3 O ATOM 43256 H1 TIP3 5898 78.784 67.560 18.919 1.00 0.00 WT3 H ATOM 43257 H2 TIP3 5898 79.533 66.519 18.115 1.00 0.00 WT3 H ATOM 43258 OH2 TIP3 5899 50.960 88.224 10.643 1.00 0.00 WT3 O ATOM 43259 H1 TIP3 5899 50.284 88.795 11.007 1.00 0.00 WT3 H ATOM 43260 H2 TIP3 5899 51.239 87.681 11.380 1.00 0.00 WT3 H ATOM 43261 OH2 TIP3 5900 71.036 56.315 -2.952 1.00 0.00 WT3 O ATOM 43262 H1 TIP3 5900 71.210 55.581 -3.540 1.00 0.00 WT3 H ATOM 43263 H2 TIP3 5900 71.501 56.092 -2.145 1.00 0.00 WT3 H ATOM 43264 OH2 TIP3 5901 65.877 11.336 26.216 1.00 0.00 WT3 O ATOM 43265 H1 TIP3 5901 65.475 10.598 26.674 1.00 0.00 WT3 H ATOM 43266 H2 TIP3 5901 65.420 12.106 26.553 1.00 0.00 WT3 H ATOM 43267 OH2 TIP3 5902 88.475 42.327 1.356 1.00 0.00 WT3 O ATOM 43268 H1 TIP3 5902 88.438 41.386 1.183 1.00 0.00 WT3 H ATOM 43269 H2 TIP3 5902 88.576 42.726 0.492 1.00 0.00 WT3 H ATOM 43270 OH2 TIP3 5903 41.821 89.210 65.893 1.00 0.00 WT3 O ATOM 43271 H1 TIP3 5903 41.140 89.819 66.179 1.00 0.00 WT3 H ATOM 43272 H2 TIP3 5903 41.585 88.991 64.992 1.00 0.00 WT3 H ATOM 43273 OH2 TIP3 5906 56.824 69.350 51.331 1.00 0.00 WT3 O ATOM 43274 H1 TIP3 5906 56.702 68.472 50.970 1.00 0.00 WT3 H ATOM 43275 H2 TIP3 5906 57.370 69.217 52.106 1.00 0.00 WT3 H ATOM 43276 OH2 TIP3 5907 73.328 73.884 31.781 1.00 0.00 WT3 O ATOM 43277 H1 TIP3 5907 72.865 73.930 30.945 1.00 0.00 WT3 H ATOM 43278 H2 TIP3 5907 74.247 74.027 31.556 1.00 0.00 WT3 H ATOM 43279 OH2 TIP3 5909 64.878 77.920 38.976 1.00 0.00 WT3 O ATOM 43280 H1 TIP3 5909 63.947 78.090 39.121 1.00 0.00 WT3 H ATOM 43281 H2 TIP3 5909 65.046 78.243 38.091 1.00 0.00 WT3 H ATOM 43282 OH2 TIP3 5910 87.871 72.791 51.818 1.00 0.00 WT3 O ATOM 43283 H1 TIP3 5910 88.528 73.272 52.320 1.00 0.00 WT3 H ATOM 43284 H2 TIP3 5910 88.165 71.880 51.849 1.00 0.00 WT3 H ATOM 43285 OH2 TIP3 5911 83.567 44.464 12.635 1.00 0.00 WT3 O ATOM 43286 H1 TIP3 5911 83.958 43.680 12.248 1.00 0.00 WT3 H ATOM 43287 H2 TIP3 5911 83.743 45.158 12.000 1.00 0.00 WT3 H ATOM 43288 OH2 TIP3 5912 71.374 9.562 11.738 1.00 0.00 WT3 O ATOM 43289 H1 TIP3 5912 71.474 8.617 11.623 1.00 0.00 WT3 H ATOM 43290 H2 TIP3 5912 70.813 9.652 12.508 1.00 0.00 WT3 H ATOM 43291 OH2 TIP3 5913 23.137 77.357 31.022 1.00 0.00 WT3 O ATOM 43292 H1 TIP3 5913 24.042 77.106 30.839 1.00 0.00 WT3 H ATOM 43293 H2 TIP3 5913 22.613 76.820 30.428 1.00 0.00 WT3 H ATOM 43294 OH2 TIP3 5916 77.170 94.850 -10.350 1.00 0.00 WT3 O ATOM 43295 H1 TIP3 5916 76.354 95.277 -10.612 1.00 0.00 WT3 H ATOM 43296 H2 TIP3 5916 77.570 94.571 -11.173 1.00 0.00 WT3 H ATOM 43297 OH2 TIP3 5917 21.619 96.630 -10.920 1.00 0.00 WT3 O ATOM 43298 H1 TIP3 5917 22.572 96.662 -11.011 1.00 0.00 WT3 H ATOM 43299 H2 TIP3 5917 21.472 96.526 -9.980 1.00 0.00 WT3 H ATOM 43300 OH2 TIP3 5918 43.829 60.853 63.362 1.00 0.00 WT3 O ATOM 43301 H1 TIP3 5918 43.212 60.622 62.668 1.00 0.00 WT3 H ATOM 43302 H2 TIP3 5918 43.379 60.615 64.173 1.00 0.00 WT3 H ATOM 43303 OH2 TIP3 5919 88.021 75.900 0.830 1.00 0.00 WT3 O ATOM 43304 H1 TIP3 5919 88.564 75.731 1.601 1.00 0.00 WT3 H ATOM 43305 H2 TIP3 5919 88.622 75.818 0.090 1.00 0.00 WT3 H ATOM 43306 OH2 TIP3 5920 71.337 33.971 45.519 1.00 0.00 WT3 O ATOM 43307 H1 TIP3 5920 71.544 33.873 46.449 1.00 0.00 WT3 H ATOM 43308 H2 TIP3 5920 72.139 33.708 45.067 1.00 0.00 WT3 H ATOM 43309 OH2 TIP3 5921 50.544 49.171 47.184 1.00 0.00 WT3 O ATOM 43310 H1 TIP3 5921 51.348 48.675 47.027 1.00 0.00 WT3 H ATOM 43311 H2 TIP3 5921 50.364 49.606 46.351 1.00 0.00 WT3 H ATOM 43312 OH2 TIP3 5922 64.416 56.289 26.032 1.00 0.00 WT3 O ATOM 43313 H1 TIP3 5922 63.636 56.356 25.481 1.00 0.00 WT3 H ATOM 43314 H2 TIP3 5922 64.087 56.382 26.926 1.00 0.00 WT3 H ATOM 43315 OH2 TIP3 5923 34.511 49.851 6.020 1.00 0.00 WT3 O ATOM 43316 H1 TIP3 5923 34.994 49.072 5.745 1.00 0.00 WT3 H ATOM 43317 H2 TIP3 5923 34.839 50.549 5.453 1.00 0.00 WT3 H ATOM 43318 OH2 TIP3 5924 56.911 15.928 4.119 1.00 0.00 WT3 O ATOM 43319 H1 TIP3 5924 56.284 15.248 3.873 1.00 0.00 WT3 H ATOM 43320 H2 TIP3 5924 57.664 15.447 4.464 1.00 0.00 WT3 H ATOM 43321 OH2 TIP3 5926 66.080 77.113 -2.317 1.00 0.00 WT3 O ATOM 43322 H1 TIP3 5926 66.203 76.439 -1.649 1.00 0.00 WT3 H ATOM 43323 H2 TIP3 5926 65.237 77.513 -2.102 1.00 0.00 WT3 H ATOM 43324 OH2 TIP3 5931 33.691 85.779 59.694 1.00 0.00 WT3 O ATOM 43325 H1 TIP3 5931 32.932 85.950 60.251 1.00 0.00 WT3 H ATOM 43326 H2 TIP3 5931 34.078 84.980 60.054 1.00 0.00 WT3 H ATOM 43327 OH2 TIP3 5932 29.801 47.408 43.595 1.00 0.00 WT3 O ATOM 43328 H1 TIP3 5932 29.808 48.080 42.912 1.00 0.00 WT3 H ATOM 43329 H2 TIP3 5932 28.875 47.298 43.812 1.00 0.00 WT3 H ATOM 43330 OH2 TIP3 5934 63.971 4.747 66.859 1.00 0.00 WT3 O ATOM 43331 H1 TIP3 5934 64.872 4.970 67.093 1.00 0.00 WT3 H ATOM 43332 H2 TIP3 5934 63.983 4.672 65.905 1.00 0.00 WT3 H ATOM 43333 OH2 TIP3 5935 61.711 88.758 13.265 1.00 0.00 WT3 O ATOM 43334 H1 TIP3 5935 62.126 88.009 12.838 1.00 0.00 WT3 H ATOM 43335 H2 TIP3 5935 61.287 88.389 14.039 1.00 0.00 WT3 H ATOM 43336 OH2 TIP3 5936 32.078 48.298 8.651 1.00 0.00 WT3 O ATOM 43337 H1 TIP3 5936 32.677 48.366 7.908 1.00 0.00 WT3 H ATOM 43338 H2 TIP3 5936 32.232 49.096 9.157 1.00 0.00 WT3 H ATOM 43339 OH2 TIP3 5938 62.228 31.256 9.500 1.00 0.00 WT3 O ATOM 43340 H1 TIP3 5938 62.353 32.024 10.056 1.00 0.00 WT3 H ATOM 43341 H2 TIP3 5938 61.281 31.206 9.368 1.00 0.00 WT3 H ATOM 43342 OH2 TIP3 5939 28.717 70.981 58.827 1.00 0.00 WT3 O ATOM 43343 H1 TIP3 5939 28.966 70.596 57.987 1.00 0.00 WT3 H ATOM 43344 H2 TIP3 5939 29.112 71.853 58.817 1.00 0.00 WT3 H ATOM 43345 OH2 TIP3 5942 24.458 79.197 1.271 1.00 0.00 WT3 O ATOM 43346 H1 TIP3 5942 24.589 78.390 0.773 1.00 0.00 WT3 H ATOM 43347 H2 TIP3 5942 24.190 79.842 0.617 1.00 0.00 WT3 H ATOM 43348 OH2 TIP3 5945 73.942 71.071 -17.902 1.00 0.00 WT3 O ATOM 43349 H1 TIP3 5945 74.378 71.126 -18.752 1.00 0.00 WT3 H ATOM 43350 H2 TIP3 5945 73.344 71.819 -17.891 1.00 0.00 WT3 H ATOM 43351 OH2 TIP3 5948 74.165 92.718 12.908 1.00 0.00 WT3 O ATOM 43352 H1 TIP3 5948 74.970 93.217 12.771 1.00 0.00 WT3 H ATOM 43353 H2 TIP3 5948 73.760 93.121 13.676 1.00 0.00 WT3 H ATOM 43354 OH2 TIP3 5949 38.921 17.532 52.287 1.00 0.00 WT3 O ATOM 43355 H1 TIP3 5949 38.835 18.344 52.786 1.00 0.00 WT3 H ATOM 43356 H2 TIP3 5949 39.010 17.817 51.378 1.00 0.00 WT3 H ATOM 43357 OH2 TIP3 5951 37.558 55.196 2.458 1.00 0.00 WT3 O ATOM 43358 H1 TIP3 5951 38.118 55.128 3.232 1.00 0.00 WT3 H ATOM 43359 H2 TIP3 5951 36.671 55.273 2.810 1.00 0.00 WT3 H ATOM 43360 OH2 TIP3 5952 69.443 34.643 0.109 1.00 0.00 WT3 O ATOM 43361 H1 TIP3 5952 69.368 35.540 -0.216 1.00 0.00 WT3 H ATOM 43362 H2 TIP3 5952 68.545 34.391 0.325 1.00 0.00 WT3 H ATOM 43363 OH2 TIP3 5953 74.893 33.469 57.038 1.00 0.00 WT3 O ATOM 43364 H1 TIP3 5953 74.755 32.650 57.513 1.00 0.00 WT3 H ATOM 43365 H2 TIP3 5953 75.631 33.288 56.456 1.00 0.00 WT3 H ATOM 43366 OH2 TIP3 5954 29.252 58.592 40.726 1.00 0.00 WT3 O ATOM 43367 H1 TIP3 5954 28.301 58.640 40.622 1.00 0.00 WT3 H ATOM 43368 H2 TIP3 5954 29.582 59.365 40.267 1.00 0.00 WT3 H ATOM 43369 OH2 TIP3 5955 80.709 23.619 51.351 1.00 0.00 WT3 O ATOM 43370 H1 TIP3 5955 80.129 23.745 50.600 1.00 0.00 WT3 H ATOM 43371 H2 TIP3 5955 81.508 23.248 50.977 1.00 0.00 WT3 H ATOM 43372 OH2 TIP3 5956 43.208 80.377 45.775 1.00 0.00 WT3 O ATOM 43373 H1 TIP3 5956 42.847 80.415 44.889 1.00 0.00 WT3 H ATOM 43374 H2 TIP3 5956 43.075 81.258 46.126 1.00 0.00 WT3 H ATOM 43375 OH2 TIP3 5957 68.847 87.229 51.446 1.00 0.00 WT3 O ATOM 43376 H1 TIP3 5957 68.532 86.337 51.593 1.00 0.00 WT3 H ATOM 43377 H2 TIP3 5957 68.232 87.599 50.812 1.00 0.00 WT3 H ATOM 43378 OH2 TIP3 5959 29.518 24.223 2.815 1.00 0.00 WT3 O ATOM 43379 H1 TIP3 5959 29.209 24.255 3.721 1.00 0.00 WT3 H ATOM 43380 H2 TIP3 5959 29.893 25.089 2.659 1.00 0.00 WT3 H ATOM 43381 OH2 TIP3 5965 79.630 82.859 23.059 1.00 0.00 WT3 O ATOM 43382 H1 TIP3 5965 79.877 81.960 22.839 1.00 0.00 WT3 H ATOM 43383 H2 TIP3 5965 79.050 83.129 22.347 1.00 0.00 WT3 H ATOM 43384 OH2 TIP3 5971 88.918 2.685 48.382 1.00 0.00 WT3 O ATOM 43385 H1 TIP3 5971 88.548 3.067 49.177 1.00 0.00 WT3 H ATOM 43386 H2 TIP3 5971 88.172 2.281 47.939 1.00 0.00 WT3 H ATOM 43387 OH2 TIP3 5972 36.797 86.576 -1.779 1.00 0.00 WT3 O ATOM 43388 H1 TIP3 5972 35.988 87.056 -1.607 1.00 0.00 WT3 H ATOM 43389 H2 TIP3 5972 37.364 87.210 -2.218 1.00 0.00 WT3 H ATOM 43390 OH2 TIP3 5975 78.645 71.962 47.839 1.00 0.00 WT3 O ATOM 43391 H1 TIP3 5975 78.084 71.618 48.534 1.00 0.00 WT3 H ATOM 43392 H2 TIP3 5975 78.086 72.572 47.358 1.00 0.00 WT3 H ATOM 43393 OH2 TIP3 5977 71.503 91.448 1.386 1.00 0.00 WT3 O ATOM 43394 H1 TIP3 5977 71.371 92.390 1.493 1.00 0.00 WT3 H ATOM 43395 H2 TIP3 5977 70.618 91.086 1.344 1.00 0.00 WT3 H ATOM 43396 OH2 TIP3 5981 70.108 2.023 48.386 1.00 0.00 WT3 O ATOM 43397 H1 TIP3 5981 69.640 2.627 48.962 1.00 0.00 WT3 H ATOM 43398 H2 TIP3 5981 69.489 1.310 48.232 1.00 0.00 WT3 H ATOM 43399 OH2 TIP3 5983 64.854 70.714 61.914 1.00 0.00 WT3 O ATOM 43400 H1 TIP3 5983 65.442 71.350 62.322 1.00 0.00 WT3 H ATOM 43401 H2 TIP3 5983 64.745 71.029 61.016 1.00 0.00 WT3 H ATOM 43402 OH2 TIP3 5985 48.377 0.857 36.123 1.00 0.00 WT3 O ATOM 43403 H1 TIP3 5985 47.685 0.660 36.755 1.00 0.00 WT3 H ATOM 43404 H2 TIP3 5985 49.177 0.528 36.533 1.00 0.00 WT3 H ATOM 43405 OH2 TIP3 5994 75.811 44.249 4.142 1.00 0.00 WT3 O ATOM 43406 H1 TIP3 5994 76.196 44.387 5.007 1.00 0.00 WT3 H ATOM 43407 H2 TIP3 5994 75.045 43.698 4.305 1.00 0.00 WT3 H ATOM 43408 OH2 TIP3 5996 46.241 89.677 45.921 1.00 0.00 WT3 O ATOM 43409 H1 TIP3 5996 46.941 90.226 45.568 1.00 0.00 WT3 H ATOM 43410 H2 TIP3 5996 45.572 89.670 45.236 1.00 0.00 WT3 H ATOM 43411 OH2 TIP3 6004 54.090 83.630 -11.948 1.00 0.00 WT3 O ATOM 43412 H1 TIP3 6004 53.675 83.113 -11.257 1.00 0.00 WT3 H ATOM 43413 H2 TIP3 6004 54.943 83.872 -11.589 1.00 0.00 WT3 H ATOM 43414 OH2 TIP3 6090 55.984 38.621 -8.973 1.00 0.00 WT3 O ATOM 43415 H1 TIP3 6090 56.600 39.325 -9.178 1.00 0.00 WT3 H ATOM 43416 H2 TIP3 6090 55.130 38.967 -9.231 1.00 0.00 WT3 H ATOM 43417 OH2 TIP3 6091 72.455 59.043 -1.163 1.00 0.00 WT3 O ATOM 43418 H1 TIP3 6091 71.541 59.171 -0.907 1.00 0.00 WT3 H ATOM 43419 H2 TIP3 6091 72.809 58.450 -0.500 1.00 0.00 WT3 H ATOM 43420 OH2 TIP3 6107 52.063 31.134 37.690 1.00 0.00 WT3 O ATOM 43421 H1 TIP3 6107 52.944 30.762 37.716 1.00 0.00 WT3 H ATOM 43422 H2 TIP3 6107 52.080 31.739 36.949 1.00 0.00 WT3 H ATOM 43423 OH2 TIP3 6110 67.800 63.964 -17.528 1.00 0.00 WT3 O ATOM 43424 H1 TIP3 6110 67.830 63.173 -18.066 1.00 0.00 WT3 H ATOM 43425 H2 TIP3 6110 67.009 63.864 -16.998 1.00 0.00 WT3 H ATOM 43426 OH2 TIP3 6126 52.728 77.538 41.448 1.00 0.00 WT3 O ATOM 43427 H1 TIP3 6126 52.515 76.804 40.872 1.00 0.00 WT3 H ATOM 43428 H2 TIP3 6126 51.991 78.141 41.351 1.00 0.00 WT3 H ATOM 43429 OH2 TIP3 6131 27.146 86.817 -13.029 1.00 0.00 WT3 O ATOM 43430 H1 TIP3 6131 28.035 86.641 -13.338 1.00 0.00 WT3 H ATOM 43431 H2 TIP3 6131 27.129 87.761 -12.872 1.00 0.00 WT3 H ATOM 43432 OH2 TIP3 6134 62.458 37.789 40.842 1.00 0.00 WT3 O ATOM 43433 H1 TIP3 6134 61.523 37.903 40.673 1.00 0.00 WT3 H ATOM 43434 H2 TIP3 6134 62.886 38.386 40.228 1.00 0.00 WT3 H ATOM 43435 OH2 TIP3 6136 58.406 96.453 19.396 1.00 0.00 WT3 O ATOM 43436 H1 TIP3 6136 59.062 96.248 18.730 1.00 0.00 WT3 H ATOM 43437 H2 TIP3 6136 58.171 95.605 19.771 1.00 0.00 WT3 H ATOM 43438 OH2 TIP3 6138 36.826 67.410 -17.405 1.00 0.00 WT3 O ATOM 43439 H1 TIP3 6138 37.373 68.040 -17.874 1.00 0.00 WT3 H ATOM 43440 H2 TIP3 6138 36.639 67.833 -16.567 1.00 0.00 WT3 H ATOM 43441 OH2 TIP3 6146 28.070 59.996 44.514 1.00 0.00 WT3 O ATOM 43442 H1 TIP3 6146 28.489 59.388 45.123 1.00 0.00 WT3 H ATOM 43443 H2 TIP3 6146 27.383 60.418 45.030 1.00 0.00 WT3 H ATOM 43444 OH2 TIP3 6147 73.827 7.786 -11.202 1.00 0.00 WT3 O ATOM 43445 H1 TIP3 6147 74.216 8.567 -11.596 1.00 0.00 WT3 H ATOM 43446 H2 TIP3 6147 74.502 7.454 -10.610 1.00 0.00 WT3 H ATOM 43447 OH2 TIP3 6157 89.832 67.874 67.096 1.00 0.00 WT3 O ATOM 43448 H1 TIP3 6157 89.614 67.598 66.206 1.00 0.00 WT3 H ATOM 43449 H2 TIP3 6157 89.111 68.448 67.353 1.00 0.00 WT3 H ATOM 43450 OH2 TIP3 6158 34.035 27.893 5.747 1.00 0.00 WT3 O ATOM 43451 H1 TIP3 6158 33.661 28.683 5.355 1.00 0.00 WT3 H ATOM 43452 H2 TIP3 6158 34.071 27.263 5.027 1.00 0.00 WT3 H ATOM 43453 OH2 TIP3 6163 52.385 75.345 -7.586 1.00 0.00 WT3 O ATOM 43454 H1 TIP3 6163 52.568 76.256 -7.356 1.00 0.00 WT3 H ATOM 43455 H2 TIP3 6163 51.508 75.365 -7.969 1.00 0.00 WT3 H ATOM 43456 OH2 TIP3 6166 76.420 9.300 54.204 1.00 0.00 WT3 O ATOM 43457 H1 TIP3 6166 76.332 8.706 53.459 1.00 0.00 WT3 H ATOM 43458 H2 TIP3 6166 77.210 9.002 54.656 1.00 0.00 WT3 H ATOM 43459 OH2 TIP3 6174 20.541 48.314 12.840 1.00 0.00 WT3 O ATOM 43460 H1 TIP3 6174 20.799 47.527 13.319 1.00 0.00 WT3 H ATOM 43461 H2 TIP3 6174 21.340 48.837 12.789 1.00 0.00 WT3 H ATOM 43462 OH2 TIP3 6176 88.741 3.971 -8.907 1.00 0.00 WT3 O ATOM 43463 H1 TIP3 6176 88.176 3.370 -9.392 1.00 0.00 WT3 H ATOM 43464 H2 TIP3 6176 88.176 4.335 -8.225 1.00 0.00 WT3 H ATOM 43465 OH2 TIP3 6177 82.125 30.353 30.231 1.00 0.00 WT3 O ATOM 43466 H1 TIP3 6177 82.454 30.472 31.122 1.00 0.00 WT3 H ATOM 43467 H2 TIP3 6177 81.980 31.242 29.908 1.00 0.00 WT3 H ATOM 43468 OH2 TIP3 6178 40.209 77.083 3.813 1.00 0.00 WT3 O ATOM 43469 H1 TIP3 6178 39.688 76.293 3.669 1.00 0.00 WT3 H ATOM 43470 H2 TIP3 6178 41.114 76.772 3.838 1.00 0.00 WT3 H ATOM 43471 OH2 TIP3 6179 48.846 51.302 37.417 1.00 0.00 WT3 O ATOM 43472 H1 TIP3 6179 49.736 51.634 37.299 1.00 0.00 WT3 H ATOM 43473 H2 TIP3 6179 48.450 51.361 36.547 1.00 0.00 WT3 H ATOM 43474 OH2 TIP3 6181 48.290 35.292 15.723 1.00 0.00 WT3 O ATOM 43475 H1 TIP3 6181 48.339 34.665 16.445 1.00 0.00 WT3 H ATOM 43476 H2 TIP3 6181 47.709 34.877 15.085 1.00 0.00 WT3 H ATOM 43477 OH2 TIP3 6183 53.365 33.556 -6.177 1.00 0.00 WT3 O ATOM 43478 H1 TIP3 6183 53.401 34.182 -5.453 1.00 0.00 WT3 H ATOM 43479 H2 TIP3 6183 54.273 33.472 -6.467 1.00 0.00 WT3 H ATOM 43480 OH2 TIP3 6189 73.250 74.742 49.962 1.00 0.00 WT3 O ATOM 43481 H1 TIP3 6189 73.662 75.394 49.394 1.00 0.00 WT3 H ATOM 43482 H2 TIP3 6189 72.747 74.189 49.365 1.00 0.00 WT3 H ATOM 43483 OH2 TIP3 6192 29.603 6.722 61.009 1.00 0.00 WT3 O ATOM 43484 H1 TIP3 6192 29.427 7.299 60.266 1.00 0.00 WT3 H ATOM 43485 H2 TIP3 6192 29.396 5.845 60.686 1.00 0.00 WT3 H ATOM 43486 OH2 TIP3 6194 63.657 75.742 39.956 1.00 0.00 WT3 O ATOM 43487 H1 TIP3 6194 62.940 75.657 39.326 1.00 0.00 WT3 H ATOM 43488 H2 TIP3 6194 64.271 76.347 39.540 1.00 0.00 WT3 H ATOM 43489 OH2 TIP3 6195 73.594 19.383 67.368 1.00 0.00 WT3 O ATOM 43490 H1 TIP3 6195 74.304 19.766 66.853 1.00 0.00 WT3 H ATOM 43491 H2 TIP3 6195 73.452 18.521 66.978 1.00 0.00 WT3 H ATOM 43492 OH2 TIP3 6198 48.486 34.186 -2.869 1.00 0.00 WT3 O ATOM 43493 H1 TIP3 6198 48.846 34.410 -2.010 1.00 0.00 WT3 H ATOM 43494 H2 TIP3 6198 48.987 34.720 -3.485 1.00 0.00 WT3 H ATOM 43495 OH2 TIP3 6199 38.539 45.408 33.372 1.00 0.00 WT3 O ATOM 43496 H1 TIP3 6199 39.061 45.135 32.617 1.00 0.00 WT3 H ATOM 43497 H2 TIP3 6199 38.825 46.304 33.549 1.00 0.00 WT3 H ATOM 43498 OH2 TIP3 6200 84.292 63.955 -17.928 1.00 0.00 WT3 O ATOM 43499 H1 TIP3 6200 85.248 63.957 -17.880 1.00 0.00 WT3 H ATOM 43500 H2 TIP3 6200 84.058 64.867 -18.100 1.00 0.00 WT3 H ATOM 43501 OH2 TIP3 6202 42.086 15.172 63.429 1.00 0.00 WT3 O ATOM 43502 H1 TIP3 6202 41.389 15.608 63.919 1.00 0.00 WT3 H ATOM 43503 H2 TIP3 6202 42.670 15.881 63.160 1.00 0.00 WT3 H ATOM 43504 OH2 TIP3 6203 72.414 29.700 -4.366 1.00 0.00 WT3 O ATOM 43505 H1 TIP3 6203 71.734 29.142 -3.987 1.00 0.00 WT3 H ATOM 43506 H2 TIP3 6203 72.664 30.290 -3.654 1.00 0.00 WT3 H ATOM 43507 OH2 TIP3 6205 86.488 83.189 63.629 1.00 0.00 WT3 O ATOM 43508 H1 TIP3 6205 86.248 82.836 64.486 1.00 0.00 WT3 H ATOM 43509 H2 TIP3 6205 86.479 82.430 63.046 1.00 0.00 WT3 H ATOM 43510 OH2 TIP3 6207 68.864 50.467 -7.924 1.00 0.00 WT3 O ATOM 43511 H1 TIP3 6207 69.390 50.027 -8.591 1.00 0.00 WT3 H ATOM 43512 H2 TIP3 6207 67.988 50.522 -8.307 1.00 0.00 WT3 H ATOM 43513 OH2 TIP3 6212 78.911 82.810 11.676 1.00 0.00 WT3 O ATOM 43514 H1 TIP3 6212 78.863 82.544 10.758 1.00 0.00 WT3 H ATOM 43515 H2 TIP3 6212 79.005 83.762 11.646 1.00 0.00 WT3 H ATOM 43516 OH2 TIP3 6213 62.799 90.321 40.909 1.00 0.00 WT3 O ATOM 43517 H1 TIP3 6213 62.829 90.961 41.619 1.00 0.00 WT3 H ATOM 43518 H2 TIP3 6213 63.483 89.688 41.127 1.00 0.00 WT3 H ATOM 43519 OH2 TIP3 6214 34.124 88.415 22.710 1.00 0.00 WT3 O ATOM 43520 H1 TIP3 6214 33.882 89.234 22.278 1.00 0.00 WT3 H ATOM 43521 H2 TIP3 6214 35.012 88.234 22.401 1.00 0.00 WT3 H ATOM 43522 OH2 TIP3 6215 67.535 56.127 -14.161 1.00 0.00 WT3 O ATOM 43523 H1 TIP3 6215 67.998 56.164 -14.998 1.00 0.00 WT3 H ATOM 43524 H2 TIP3 6215 67.944 55.399 -13.692 1.00 0.00 WT3 H ATOM 43525 OH2 TIP3 6216 64.624 44.882 50.597 1.00 0.00 WT3 O ATOM 43526 H1 TIP3 6216 64.970 44.556 49.766 1.00 0.00 WT3 H ATOM 43527 H2 TIP3 6216 63.938 45.501 50.345 1.00 0.00 WT3 H ATOM 43528 OH2 TIP3 6217 86.671 0.468 -6.670 1.00 0.00 WT3 O ATOM 43529 H1 TIP3 6217 86.876 -0.219 -7.304 1.00 0.00 WT3 H ATOM 43530 H2 TIP3 6217 85.731 0.378 -6.513 1.00 0.00 WT3 H ATOM 43531 OH2 TIP3 6218 67.991 83.081 -3.755 1.00 0.00 WT3 O ATOM 43532 H1 TIP3 6218 68.105 82.973 -4.699 1.00 0.00 WT3 H ATOM 43533 H2 TIP3 6218 67.043 83.080 -3.626 1.00 0.00 WT3 H ATOM 43534 OH2 TIP3 6219 90.441 59.458 64.565 1.00 0.00 WT3 O ATOM 43535 H1 TIP3 6219 90.418 60.401 64.404 1.00 0.00 WT3 H ATOM 43536 H2 TIP3 6219 89.640 59.126 64.160 1.00 0.00 WT3 H ATOM 43537 OH2 TIP3 6220 83.927 51.293 21.874 1.00 0.00 WT3 O ATOM 43538 H1 TIP3 6220 83.331 50.696 21.419 1.00 0.00 WT3 H ATOM 43539 H2 TIP3 6220 83.363 51.996 22.194 1.00 0.00 WT3 H ATOM 43540 OH2 TIP3 6221 76.311 44.094 59.521 1.00 0.00 WT3 O ATOM 43541 H1 TIP3 6221 76.263 45.027 59.730 1.00 0.00 WT3 H ATOM 43542 H2 TIP3 6221 75.405 43.789 59.578 1.00 0.00 WT3 H ATOM 43543 OH2 TIP3 6223 25.957 89.848 12.714 1.00 0.00 WT3 O ATOM 43544 H1 TIP3 6223 25.496 90.668 12.539 1.00 0.00 WT3 H ATOM 43545 H2 TIP3 6223 25.915 89.746 13.664 1.00 0.00 WT3 H ATOM 43546 OH2 TIP3 6224 70.792 57.155 19.694 1.00 0.00 WT3 O ATOM 43547 H1 TIP3 6224 70.181 56.955 18.985 1.00 0.00 WT3 H ATOM 43548 H2 TIP3 6224 70.350 57.829 20.209 1.00 0.00 WT3 H ATOM 43549 OH2 TIP3 6225 68.277 56.533 27.553 1.00 0.00 WT3 O ATOM 43550 H1 TIP3 6225 67.550 56.759 28.133 1.00 0.00 WT3 H ATOM 43551 H2 TIP3 6225 68.108 57.029 26.752 1.00 0.00 WT3 H ATOM 43552 OH2 TIP3 6227 78.639 44.653 30.264 1.00 0.00 WT3 O ATOM 43553 H1 TIP3 6227 79.594 44.702 30.305 1.00 0.00 WT3 H ATOM 43554 H2 TIP3 6227 78.461 44.021 29.567 1.00 0.00 WT3 H ATOM 43555 OH2 TIP3 6230 82.473 74.074 11.902 1.00 0.00 WT3 O ATOM 43556 H1 TIP3 6230 82.472 74.474 12.772 1.00 0.00 WT3 H ATOM 43557 H2 TIP3 6230 83.400 73.965 11.690 1.00 0.00 WT3 H ATOM 43558 OH2 TIP3 6231 58.842 93.046 24.833 1.00 0.00 WT3 O ATOM 43559 H1 TIP3 6231 58.428 92.720 24.034 1.00 0.00 WT3 H ATOM 43560 H2 TIP3 6231 59.778 93.058 24.631 1.00 0.00 WT3 H ATOM 43561 OH2 TIP3 6232 89.513 71.340 48.606 1.00 0.00 WT3 O ATOM 43562 H1 TIP3 6232 89.388 72.134 48.086 1.00 0.00 WT3 H ATOM 43563 H2 TIP3 6232 88.837 70.739 48.295 1.00 0.00 WT3 H ATOM 43564 OH2 TIP3 6233 35.588 71.698 -7.651 1.00 0.00 WT3 O ATOM 43565 H1 TIP3 6233 35.860 72.558 -7.971 1.00 0.00 WT3 H ATOM 43566 H2 TIP3 6233 34.702 71.583 -7.996 1.00 0.00 WT3 H ATOM 43567 OH2 TIP3 6235 40.637 80.774 61.057 1.00 0.00 WT3 O ATOM 43568 H1 TIP3 6235 40.139 80.284 60.403 1.00 0.00 WT3 H ATOM 43569 H2 TIP3 6235 40.751 80.159 61.782 1.00 0.00 WT3 H ATOM 43570 OH2 TIP3 6236 79.720 86.456 19.757 1.00 0.00 WT3 O ATOM 43571 H1 TIP3 6236 79.678 87.367 20.047 1.00 0.00 WT3 H ATOM 43572 H2 TIP3 6236 78.897 86.070 20.056 1.00 0.00 WT3 H ATOM 43573 OH2 TIP3 6237 74.317 17.240 5.288 1.00 0.00 WT3 O ATOM 43574 H1 TIP3 6237 74.385 17.945 5.931 1.00 0.00 WT3 H ATOM 43575 H2 TIP3 6237 73.648 17.541 4.672 1.00 0.00 WT3 H ATOM 43576 OH2 TIP3 6238 37.041 39.262 48.493 1.00 0.00 WT3 O ATOM 43577 H1 TIP3 6238 37.982 39.361 48.633 1.00 0.00 WT3 H ATOM 43578 H2 TIP3 6238 36.886 39.639 47.627 1.00 0.00 WT3 H ATOM 43579 OH2 TIP3 6240 71.658 95.787 54.941 1.00 0.00 WT3 O ATOM 43580 H1 TIP3 6240 72.063 95.000 54.577 1.00 0.00 WT3 H ATOM 43581 H2 TIP3 6240 71.793 96.458 54.271 1.00 0.00 WT3 H ATOM 43582 OH2 TIP3 6241 80.825 96.012 9.946 1.00 0.00 WT3 O ATOM 43583 H1 TIP3 6241 80.728 95.120 10.280 1.00 0.00 WT3 H ATOM 43584 H2 TIP3 6241 81.755 96.209 10.055 1.00 0.00 WT3 H ATOM 43585 OH2 TIP3 6242 26.497 37.443 13.901 1.00 0.00 WT3 O ATOM 43586 H1 TIP3 6242 27.061 36.676 14.004 1.00 0.00 WT3 H ATOM 43587 H2 TIP3 6242 25.868 37.376 14.619 1.00 0.00 WT3 H ATOM 43588 OH2 TIP3 6243 48.643 68.506 53.531 1.00 0.00 WT3 O ATOM 43589 H1 TIP3 6243 49.543 68.314 53.268 1.00 0.00 WT3 H ATOM 43590 H2 TIP3 6243 48.103 68.095 52.856 1.00 0.00 WT3 H ATOM 43591 OH2 TIP3 6245 78.554 89.190 37.136 1.00 0.00 WT3 O ATOM 43592 H1 TIP3 6245 78.574 89.167 36.179 1.00 0.00 WT3 H ATOM 43593 H2 TIP3 6245 77.630 89.076 37.360 1.00 0.00 WT3 H ATOM 43594 OH2 TIP3 6246 51.441 11.139 15.717 1.00 0.00 WT3 O ATOM 43595 H1 TIP3 6246 52.192 11.549 16.146 1.00 0.00 WT3 H ATOM 43596 H2 TIP3 6246 51.767 10.886 14.853 1.00 0.00 WT3 H ATOM 43597 OH2 TIP3 6247 36.475 71.686 32.313 1.00 0.00 WT3 O ATOM 43598 H1 TIP3 6247 36.887 70.888 31.984 1.00 0.00 WT3 H ATOM 43599 H2 TIP3 6247 37.167 72.346 32.277 1.00 0.00 WT3 H ATOM 43600 OH2 TIP3 6248 37.370 68.158 60.338 1.00 0.00 WT3 O ATOM 43601 H1 TIP3 6248 37.655 68.443 59.470 1.00 0.00 WT3 H ATOM 43602 H2 TIP3 6248 36.575 67.651 60.176 1.00 0.00 WT3 H ATOM 43603 OH2 TIP3 6249 26.673 22.960 -5.835 1.00 0.00 WT3 O ATOM 43604 H1 TIP3 6249 26.410 22.040 -5.832 1.00 0.00 WT3 H ATOM 43605 H2 TIP3 6249 27.536 22.965 -5.421 1.00 0.00 WT3 H ATOM 43606 OH2 TIP3 6250 80.721 25.478 4.411 1.00 0.00 WT3 O ATOM 43607 H1 TIP3 6250 81.358 26.106 4.071 1.00 0.00 WT3 H ATOM 43608 H2 TIP3 6250 80.578 25.749 5.319 1.00 0.00 WT3 H ATOM 43609 OH2 TIP3 6251 72.907 82.118 11.692 1.00 0.00 WT3 O ATOM 43610 H1 TIP3 6251 73.620 82.185 11.057 1.00 0.00 WT3 H ATOM 43611 H2 TIP3 6251 72.270 81.536 11.278 1.00 0.00 WT3 H ATOM 43612 OH2 TIP3 6253 88.281 23.465 33.876 1.00 0.00 WT3 O ATOM 43613 H1 TIP3 6253 89.147 23.071 33.980 1.00 0.00 WT3 H ATOM 43614 H2 TIP3 6253 88.333 23.945 33.050 1.00 0.00 WT3 H ATOM 43615 OH2 TIP3 6254 71.778 33.727 17.369 1.00 0.00 WT3 O ATOM 43616 H1 TIP3 6254 72.730 33.758 17.277 1.00 0.00 WT3 H ATOM 43617 H2 TIP3 6254 71.489 34.619 17.177 1.00 0.00 WT3 H ATOM 43618 OH2 TIP3 6255 21.174 84.220 6.052 1.00 0.00 WT3 O ATOM 43619 H1 TIP3 6255 21.168 84.588 6.935 1.00 0.00 WT3 H ATOM 43620 H2 TIP3 6255 20.323 84.459 5.686 1.00 0.00 WT3 H ATOM 43621 OH2 TIP3 6256 62.408 23.568 63.836 1.00 0.00 WT3 O ATOM 43622 H1 TIP3 6256 62.817 24.088 64.527 1.00 0.00 WT3 H ATOM 43623 H2 TIP3 6256 62.502 24.101 63.046 1.00 0.00 WT3 H ATOM 43624 OH2 TIP3 6257 76.278 58.896 5.471 1.00 0.00 WT3 O ATOM 43625 H1 TIP3 6257 76.263 58.248 6.175 1.00 0.00 WT3 H ATOM 43626 H2 TIP3 6257 75.374 58.930 5.157 1.00 0.00 WT3 H ATOM 43627 OH2 TIP3 6258 64.282 78.731 2.044 1.00 0.00 WT3 O ATOM 43628 H1 TIP3 6258 63.601 78.484 2.671 1.00 0.00 WT3 H ATOM 43629 H2 TIP3 6258 65.001 78.125 2.220 1.00 0.00 WT3 H ATOM 43630 OH2 TIP3 6260 58.267 72.450 -15.921 1.00 0.00 WT3 O ATOM 43631 H1 TIP3 6260 58.812 72.197 -15.175 1.00 0.00 WT3 H ATOM 43632 H2 TIP3 6260 58.582 71.908 -16.644 1.00 0.00 WT3 H ATOM 43633 OH2 TIP3 6261 66.437 80.564 28.838 1.00 0.00 WT3 O ATOM 43634 H1 TIP3 6261 67.345 80.866 28.799 1.00 0.00 WT3 H ATOM 43635 H2 TIP3 6261 66.440 79.880 29.508 1.00 0.00 WT3 H ATOM 43636 OH2 TIP3 6263 22.689 3.065 -7.873 1.00 0.00 WT3 O ATOM 43637 H1 TIP3 6263 22.733 3.497 -7.020 1.00 0.00 WT3 H ATOM 43638 H2 TIP3 6263 23.209 3.623 -8.451 1.00 0.00 WT3 H ATOM 43639 OH2 TIP3 6264 70.090 8.298 -0.051 1.00 0.00 WT3 O ATOM 43640 H1 TIP3 6264 70.486 7.686 0.569 1.00 0.00 WT3 H ATOM 43641 H2 TIP3 6264 70.815 8.852 -0.339 1.00 0.00 WT3 H ATOM 43642 OH2 TIP3 6266 69.832 38.140 -11.283 1.00 0.00 WT3 O ATOM 43643 H1 TIP3 6266 69.090 38.243 -11.879 1.00 0.00 WT3 H ATOM 43644 H2 TIP3 6266 70.603 38.179 -11.850 1.00 0.00 WT3 H ATOM 43645 OH2 TIP3 6268 61.425 96.482 10.376 1.00 0.00 WT3 O ATOM 43646 H1 TIP3 6268 61.355 96.785 9.471 1.00 0.00 WT3 H ATOM 43647 H2 TIP3 6268 61.025 95.612 10.370 1.00 0.00 WT3 H ATOM 43648 OH2 TIP3 6269 52.818 25.605 -12.582 1.00 0.00 WT3 O ATOM 43649 H1 TIP3 6269 53.612 25.900 -12.136 1.00 0.00 WT3 H ATOM 43650 H2 TIP3 6269 52.283 25.219 -11.889 1.00 0.00 WT3 H ATOM 43651 OH2 TIP3 6270 68.112 38.670 35.408 1.00 0.00 WT3 O ATOM 43652 H1 TIP3 6270 68.285 37.983 34.764 1.00 0.00 WT3 H ATOM 43653 H2 TIP3 6270 67.262 39.029 35.154 1.00 0.00 WT3 H ATOM 43654 OH2 TIP3 6271 23.639 24.701 26.211 1.00 0.00 WT3 O ATOM 43655 H1 TIP3 6271 23.764 25.323 25.494 1.00 0.00 WT3 H ATOM 43656 H2 TIP3 6271 23.230 23.939 25.800 1.00 0.00 WT3 H ATOM 43657 OH2 TIP3 6272 29.279 16.971 -9.943 1.00 0.00 WT3 O ATOM 43658 H1 TIP3 6272 29.151 16.643 -9.053 1.00 0.00 WT3 H ATOM 43659 H2 TIP3 6272 28.537 17.558 -10.092 1.00 0.00 WT3 H ATOM 43660 OH2 TIP3 6273 29.901 34.222 45.960 1.00 0.00 WT3 O ATOM 43661 H1 TIP3 6273 30.763 33.844 46.134 1.00 0.00 WT3 H ATOM 43662 H2 TIP3 6273 30.038 34.798 45.208 1.00 0.00 WT3 H ATOM 43663 OH2 TIP3 6274 81.919 5.250 0.317 1.00 0.00 WT3 O ATOM 43664 H1 TIP3 6274 82.113 4.864 1.171 1.00 0.00 WT3 H ATOM 43665 H2 TIP3 6274 82.178 6.167 0.403 1.00 0.00 WT3 H ATOM 43666 OH2 TIP3 6275 82.037 65.599 3.302 1.00 0.00 WT3 O ATOM 43667 H1 TIP3 6275 81.741 65.476 2.400 1.00 0.00 WT3 H ATOM 43668 H2 TIP3 6275 82.629 66.350 3.260 1.00 0.00 WT3 H ATOM 43669 OH2 TIP3 6276 56.060 92.773 -5.348 1.00 0.00 WT3 O ATOM 43670 H1 TIP3 6276 56.736 92.268 -4.896 1.00 0.00 WT3 H ATOM 43671 H2 TIP3 6276 56.304 92.726 -6.273 1.00 0.00 WT3 H ATOM 43672 OH2 TIP3 6277 39.390 49.608 50.181 1.00 0.00 WT3 O ATOM 43673 H1 TIP3 6277 39.082 50.316 50.748 1.00 0.00 WT3 H ATOM 43674 H2 TIP3 6277 39.723 50.053 49.402 1.00 0.00 WT3 H ATOM 43675 OH2 TIP3 6278 83.475 70.614 31.597 1.00 0.00 WT3 O ATOM 43676 H1 TIP3 6278 83.434 71.541 31.831 1.00 0.00 WT3 H ATOM 43677 H2 TIP3 6278 83.000 70.554 30.768 1.00 0.00 WT3 H ATOM 43678 OH2 TIP3 6279 63.544 11.955 28.047 1.00 0.00 WT3 O ATOM 43679 H1 TIP3 6279 63.243 12.016 28.954 1.00 0.00 WT3 H ATOM 43680 H2 TIP3 6279 63.104 12.678 27.600 1.00 0.00 WT3 H ATOM 43681 OH2 TIP3 6280 66.496 78.330 30.254 1.00 0.00 WT3 O ATOM 43682 H1 TIP3 6280 66.912 77.764 29.604 1.00 0.00 WT3 H ATOM 43683 H2 TIP3 6280 66.617 77.871 31.085 1.00 0.00 WT3 H ATOM 43684 OH2 TIP3 6281 89.038 84.676 45.897 1.00 0.00 WT3 O ATOM 43685 H1 TIP3 6281 89.851 84.698 46.403 1.00 0.00 WT3 H ATOM 43686 H2 TIP3 6281 89.119 83.896 45.348 1.00 0.00 WT3 H ATOM 43687 OH2 TIP3 6282 80.157 55.345 21.249 1.00 0.00 WT3 O ATOM 43688 H1 TIP3 6282 79.954 56.264 21.073 1.00 0.00 WT3 H ATOM 43689 H2 TIP3 6282 79.944 55.226 22.175 1.00 0.00 WT3 H ATOM 43690 OH2 TIP3 6283 52.247 67.972 41.730 1.00 0.00 WT3 O ATOM 43691 H1 TIP3 6283 52.102 67.118 42.136 1.00 0.00 WT3 H ATOM 43692 H2 TIP3 6283 52.961 67.824 41.110 1.00 0.00 WT3 H ATOM 43693 OH2 TIP3 6284 65.027 34.294 44.120 1.00 0.00 WT3 O ATOM 43694 H1 TIP3 6284 65.879 33.871 44.019 1.00 0.00 WT3 H ATOM 43695 H2 TIP3 6284 65.161 35.184 43.796 1.00 0.00 WT3 H ATOM 43696 OH2 TIP3 6285 58.534 13.209 65.342 1.00 0.00 WT3 O ATOM 43697 H1 TIP3 6285 57.941 13.317 64.599 1.00 0.00 WT3 H ATOM 43698 H2 TIP3 6285 57.956 13.119 66.100 1.00 0.00 WT3 H ATOM 43699 OH2 TIP3 6286 70.638 75.196 62.648 1.00 0.00 WT3 O ATOM 43700 H1 TIP3 6286 69.846 75.496 63.095 1.00 0.00 WT3 H ATOM 43701 H2 TIP3 6286 70.848 75.899 62.034 1.00 0.00 WT3 H ATOM 43702 OH2 TIP3 6287 28.720 50.974 -9.012 1.00 0.00 WT3 O ATOM 43703 H1 TIP3 6287 28.278 51.380 -8.266 1.00 0.00 WT3 H ATOM 43704 H2 TIP3 6287 28.583 51.587 -9.734 1.00 0.00 WT3 H ATOM 43705 OH2 TIP3 6288 30.907 13.213 63.224 1.00 0.00 WT3 O ATOM 43706 H1 TIP3 6288 30.844 12.291 62.977 1.00 0.00 WT3 H ATOM 43707 H2 TIP3 6288 30.059 13.415 63.619 1.00 0.00 WT3 H ATOM 43708 OH2 TIP3 6289 75.879 12.411 0.227 1.00 0.00 WT3 O ATOM 43709 H1 TIP3 6289 75.984 13.308 -0.091 1.00 0.00 WT3 H ATOM 43710 H2 TIP3 6289 76.425 12.370 1.012 1.00 0.00 WT3 H ATOM 43711 OH2 TIP3 6290 21.382 93.265 -3.628 1.00 0.00 WT3 O ATOM 43712 H1 TIP3 6290 21.412 93.040 -2.698 1.00 0.00 WT3 H ATOM 43713 H2 TIP3 6290 21.621 92.455 -4.079 1.00 0.00 WT3 H ATOM 43714 OH2 TIP3 6292 79.231 4.903 52.219 1.00 0.00 WT3 O ATOM 43715 H1 TIP3 6292 78.484 4.587 52.728 1.00 0.00 WT3 H ATOM 43716 H2 TIP3 6292 79.969 4.864 52.827 1.00 0.00 WT3 H ATOM 43717 OH2 TIP3 6295 85.871 74.153 35.173 1.00 0.00 WT3 O ATOM 43718 H1 TIP3 6295 85.020 73.945 35.561 1.00 0.00 WT3 H ATOM 43719 H2 TIP3 6295 85.829 73.784 34.291 1.00 0.00 WT3 H ATOM 43720 OH2 TIP3 6296 27.676 44.841 8.657 1.00 0.00 WT3 O ATOM 43721 H1 TIP3 6296 27.799 44.726 9.599 1.00 0.00 WT3 H ATOM 43722 H2 TIP3 6296 27.143 45.633 8.579 1.00 0.00 WT3 H ATOM 43723 OH2 TIP3 6297 22.791 91.674 51.800 1.00 0.00 WT3 O ATOM 43724 H1 TIP3 6297 22.712 91.041 52.515 1.00 0.00 WT3 H ATOM 43725 H2 TIP3 6297 22.588 92.518 52.204 1.00 0.00 WT3 H ATOM 43726 OH2 TIP3 6298 40.845 83.656 13.024 1.00 0.00 WT3 O ATOM 43727 H1 TIP3 6298 40.267 84.296 13.440 1.00 0.00 WT3 H ATOM 43728 H2 TIP3 6298 41.099 83.065 13.733 1.00 0.00 WT3 H ATOM 43729 OH2 TIP3 6299 33.337 32.888 54.013 1.00 0.00 WT3 O ATOM 43730 H1 TIP3 6299 32.724 33.137 53.321 1.00 0.00 WT3 H ATOM 43731 H2 TIP3 6299 33.958 32.300 53.583 1.00 0.00 WT3 H ATOM 43732 OH2 TIP3 6300 41.822 95.835 57.484 1.00 0.00 WT3 O ATOM 43733 H1 TIP3 6300 40.967 96.091 57.136 1.00 0.00 WT3 H ATOM 43734 H2 TIP3 6300 42.437 96.033 56.777 1.00 0.00 WT3 H ATOM 43735 OH2 TIP3 6301 69.403 75.903 11.817 1.00 0.00 WT3 O ATOM 43736 H1 TIP3 6301 69.350 75.017 12.174 1.00 0.00 WT3 H ATOM 43737 H2 TIP3 6301 68.760 76.403 12.319 1.00 0.00 WT3 H ATOM 43738 OH2 TIP3 6303 68.365 87.064 1.207 1.00 0.00 WT3 O ATOM 43739 H1 TIP3 6303 68.374 86.302 1.785 1.00 0.00 WT3 H ATOM 43740 H2 TIP3 6303 68.878 87.725 1.672 1.00 0.00 WT3 H ATOM 43741 OH2 TIP3 6304 64.043 59.634 -15.305 1.00 0.00 WT3 O ATOM 43742 H1 TIP3 6304 64.727 60.260 -15.545 1.00 0.00 WT3 H ATOM 43743 H2 TIP3 6304 64.521 58.853 -15.025 1.00 0.00 WT3 H ATOM 43744 OH2 TIP3 6305 52.496 68.989 1.428 1.00 0.00 WT3 O ATOM 43745 H1 TIP3 6305 52.735 68.233 1.965 1.00 0.00 WT3 H ATOM 43746 H2 TIP3 6305 52.029 69.571 2.028 1.00 0.00 WT3 H ATOM 43747 OH2 TIP3 6307 53.500 14.409 8.953 1.00 0.00 WT3 O ATOM 43748 H1 TIP3 6307 53.562 14.739 9.849 1.00 0.00 WT3 H ATOM 43749 H2 TIP3 6307 52.837 14.961 8.539 1.00 0.00 WT3 H ATOM 43750 OH2 TIP3 6308 44.045 41.444 14.315 1.00 0.00 WT3 O ATOM 43751 H1 TIP3 6308 44.428 41.488 15.191 1.00 0.00 WT3 H ATOM 43752 H2 TIP3 6308 44.524 40.738 13.879 1.00 0.00 WT3 H ATOM 43753 OH2 TIP3 6309 70.535 94.067 -18.575 1.00 0.00 WT3 O ATOM 43754 H1 TIP3 6309 70.912 93.485 -17.916 1.00 0.00 WT3 H ATOM 43755 H2 TIP3 6309 69.797 94.486 -18.131 1.00 0.00 WT3 H ATOM 43756 OH2 TIP3 6311 72.650 95.458 23.467 1.00 0.00 WT3 O ATOM 43757 H1 TIP3 6311 72.030 96.111 23.790 1.00 0.00 WT3 H ATOM 43758 H2 TIP3 6311 72.227 95.087 22.693 1.00 0.00 WT3 H ATOM 43759 OH2 TIP3 6312 35.324 74.528 62.800 1.00 0.00 WT3 O ATOM 43760 H1 TIP3 6312 35.985 73.867 63.006 1.00 0.00 WT3 H ATOM 43761 H2 TIP3 6312 35.541 74.816 61.913 1.00 0.00 WT3 H ATOM 43762 OH2 TIP3 6313 80.954 92.042 43.989 1.00 0.00 WT3 O ATOM 43763 H1 TIP3 6313 81.666 92.678 44.063 1.00 0.00 WT3 H ATOM 43764 H2 TIP3 6313 80.261 92.511 43.524 1.00 0.00 WT3 H ATOM 43765 OH2 TIP3 6317 40.139 68.774 30.245 1.00 0.00 WT3 O ATOM 43766 H1 TIP3 6317 40.510 68.847 29.365 1.00 0.00 WT3 H ATOM 43767 H2 TIP3 6317 40.605 69.436 30.757 1.00 0.00 WT3 H ATOM 43768 OH2 TIP3 6318 85.512 55.784 44.614 1.00 0.00 WT3 O ATOM 43769 H1 TIP3 6318 86.008 56.236 43.931 1.00 0.00 WT3 H ATOM 43770 H2 TIP3 6318 85.646 56.316 45.399 1.00 0.00 WT3 H ATOM 43771 OH2 TIP3 6319 40.672 92.367 58.816 1.00 0.00 WT3 O ATOM 43772 H1 TIP3 6319 40.595 92.361 57.862 1.00 0.00 WT3 H ATOM 43773 H2 TIP3 6319 41.175 93.157 59.011 1.00 0.00 WT3 H ATOM 43774 OH2 TIP3 6320 62.283 86.422 -0.149 1.00 0.00 WT3 O ATOM 43775 H1 TIP3 6320 63.043 86.896 -0.486 1.00 0.00 WT3 H ATOM 43776 H2 TIP3 6320 62.192 86.726 0.754 1.00 0.00 WT3 H ATOM 43777 OH2 TIP3 6321 87.350 92.685 33.888 1.00 0.00 WT3 O ATOM 43778 H1 TIP3 6321 87.258 91.734 33.841 1.00 0.00 WT3 H ATOM 43779 H2 TIP3 6321 88.281 92.845 33.732 1.00 0.00 WT3 H ATOM 43780 OH2 TIP3 6323 25.580 38.135 5.618 1.00 0.00 WT3 O ATOM 43781 H1 TIP3 6323 25.859 37.269 5.916 1.00 0.00 WT3 H ATOM 43782 H2 TIP3 6323 25.107 38.504 6.364 1.00 0.00 WT3 H ATOM 43783 OH2 TIP3 6325 84.294 63.505 35.795 1.00 0.00 WT3 O ATOM 43784 H1 TIP3 6325 83.716 63.892 36.453 1.00 0.00 WT3 H ATOM 43785 H2 TIP3 6325 83.701 63.181 35.116 1.00 0.00 WT3 H ATOM 43786 OH2 TIP3 6327 87.464 90.678 45.559 1.00 0.00 WT3 O ATOM 43787 H1 TIP3 6327 88.007 91.419 45.827 1.00 0.00 WT3 H ATOM 43788 H2 TIP3 6327 86.836 90.571 46.274 1.00 0.00 WT3 H ATOM 43789 OH2 TIP3 6328 59.265 79.538 13.312 1.00 0.00 WT3 O ATOM 43790 H1 TIP3 6328 59.512 80.035 14.092 1.00 0.00 WT3 H ATOM 43791 H2 TIP3 6328 59.163 78.639 13.624 1.00 0.00 WT3 H ATOM 43792 OH2 TIP3 6329 26.943 30.512 7.360 1.00 0.00 WT3 O ATOM 43793 H1 TIP3 6329 26.069 30.748 7.671 1.00 0.00 WT3 H ATOM 43794 H2 TIP3 6329 27.421 31.341 7.336 1.00 0.00 WT3 H ATOM 43795 OH2 TIP3 6330 44.625 88.861 51.500 1.00 0.00 WT3 O ATOM 43796 H1 TIP3 6330 45.065 88.975 50.658 1.00 0.00 WT3 H ATOM 43797 H2 TIP3 6330 44.273 87.972 51.469 1.00 0.00 WT3 H ATOM 43798 OH2 TIP3 6331 73.982 75.302 36.628 1.00 0.00 WT3 O ATOM 43799 H1 TIP3 6331 73.698 75.264 37.541 1.00 0.00 WT3 H ATOM 43800 H2 TIP3 6331 74.270 76.207 36.503 1.00 0.00 WT3 H ATOM 43801 OH2 TIP3 6332 25.346 67.067 59.947 1.00 0.00 WT3 O ATOM 43802 H1 TIP3 6332 25.343 67.111 58.990 1.00 0.00 WT3 H ATOM 43803 H2 TIP3 6332 24.488 66.708 60.173 1.00 0.00 WT3 H ATOM 43804 OH2 TIP3 6333 69.722 88.519 -2.985 1.00 0.00 WT3 O ATOM 43805 H1 TIP3 6333 69.523 88.471 -3.920 1.00 0.00 WT3 H ATOM 43806 H2 TIP3 6333 69.942 89.438 -2.834 1.00 0.00 WT3 H ATOM 43807 OH2 TIP3 6335 49.533 86.363 46.727 1.00 0.00 WT3 O ATOM 43808 H1 TIP3 6335 48.774 86.582 46.187 1.00 0.00 WT3 H ATOM 43809 H2 TIP3 6335 49.563 85.406 46.720 1.00 0.00 WT3 H ATOM 43810 OH2 TIP3 6337 83.397 50.693 25.733 1.00 0.00 WT3 O ATOM 43811 H1 TIP3 6337 82.930 51.522 25.831 1.00 0.00 WT3 H ATOM 43812 H2 TIP3 6337 82.924 50.231 25.042 1.00 0.00 WT3 H ATOM 43813 OH2 TIP3 6339 86.089 5.758 57.149 1.00 0.00 WT3 O ATOM 43814 H1 TIP3 6339 86.930 5.819 57.601 1.00 0.00 WT3 H ATOM 43815 H2 TIP3 6339 86.183 6.333 56.389 1.00 0.00 WT3 H ATOM 43816 OH2 TIP3 6340 32.225 51.897 39.837 1.00 0.00 WT3 O ATOM 43817 H1 TIP3 6340 32.694 52.691 39.580 1.00 0.00 WT3 H ATOM 43818 H2 TIP3 6340 32.798 51.181 39.563 1.00 0.00 WT3 H ATOM 43819 OH2 TIP3 6342 69.841 53.239 5.985 1.00 0.00 WT3 O ATOM 43820 H1 TIP3 6342 70.171 53.740 6.731 1.00 0.00 WT3 H ATOM 43821 H2 TIP3 6342 69.095 52.752 6.334 1.00 0.00 WT3 H ATOM 43822 OH2 TIP3 6344 65.768 56.135 30.258 1.00 0.00 WT3 O ATOM 43823 H1 TIP3 6344 64.837 55.970 30.107 1.00 0.00 WT3 H ATOM 43824 H2 TIP3 6344 65.918 57.008 29.897 1.00 0.00 WT3 H ATOM 43825 OH2 TIP3 6345 54.851 77.322 -0.790 1.00 0.00 WT3 O ATOM 43826 H1 TIP3 6345 54.465 76.655 -1.358 1.00 0.00 WT3 H ATOM 43827 H2 TIP3 6345 54.702 76.996 0.098 1.00 0.00 WT3 H ATOM 43828 OH2 TIP3 6346 38.497 4.366 19.714 1.00 0.00 WT3 O ATOM 43829 H1 TIP3 6346 39.105 4.887 20.238 1.00 0.00 WT3 H ATOM 43830 H2 TIP3 6346 38.808 3.466 19.809 1.00 0.00 WT3 H ATOM 43831 OH2 TIP3 6347 48.558 56.166 -7.095 1.00 0.00 WT3 O ATOM 43832 H1 TIP3 6347 49.423 56.166 -6.685 1.00 0.00 WT3 H ATOM 43833 H2 TIP3 6347 48.733 56.318 -8.024 1.00 0.00 WT3 H ATOM 43834 OH2 TIP3 6348 60.332 88.176 -1.652 1.00 0.00 WT3 O ATOM 43835 H1 TIP3 6348 59.647 87.998 -2.296 1.00 0.00 WT3 H ATOM 43836 H2 TIP3 6348 60.488 87.332 -1.227 1.00 0.00 WT3 H ATOM 43837 OH2 TIP3 6349 49.406 88.812 36.959 1.00 0.00 WT3 O ATOM 43838 H1 TIP3 6349 48.720 88.281 37.362 1.00 0.00 WT3 H ATOM 43839 H2 TIP3 6349 48.966 89.272 36.244 1.00 0.00 WT3 H ATOM 43840 OH2 TIP3 6351 26.724 11.293 41.489 1.00 0.00 WT3 O ATOM 43841 H1 TIP3 6351 26.082 10.589 41.578 1.00 0.00 WT3 H ATOM 43842 H2 TIP3 6351 27.043 11.440 42.379 1.00 0.00 WT3 H ATOM 43843 OH2 TIP3 6353 21.032 20.110 -14.285 1.00 0.00 WT3 O ATOM 43844 H1 TIP3 6353 20.608 19.790 -15.082 1.00 0.00 WT3 H ATOM 43845 H2 TIP3 6353 21.553 20.859 -14.574 1.00 0.00 WT3 H ATOM 43846 OH2 TIP3 6356 25.286 26.304 29.674 1.00 0.00 WT3 O ATOM 43847 H1 TIP3 6356 26.230 26.462 29.666 1.00 0.00 WT3 H ATOM 43848 H2 TIP3 6356 25.184 25.440 29.274 1.00 0.00 WT3 H ATOM 43849 OH2 TIP3 6357 29.212 50.321 59.343 1.00 0.00 WT3 O ATOM 43850 H1 TIP3 6357 28.708 50.505 58.550 1.00 0.00 WT3 H ATOM 43851 H2 TIP3 6357 29.947 50.932 59.308 1.00 0.00 WT3 H ATOM 43852 OH2 TIP3 6359 42.744 16.018 6.058 1.00 0.00 WT3 O ATOM 43853 H1 TIP3 6359 42.459 15.216 6.496 1.00 0.00 WT3 H ATOM 43854 H2 TIP3 6359 41.936 16.507 5.903 1.00 0.00 WT3 H ATOM 43855 OH2 TIP3 6360 35.213 43.207 52.488 1.00 0.00 WT3 O ATOM 43856 H1 TIP3 6360 35.123 42.338 52.096 1.00 0.00 WT3 H ATOM 43857 H2 TIP3 6360 36.095 43.489 52.246 1.00 0.00 WT3 H ATOM 43858 OH2 TIP3 6361 52.562 60.008 -6.370 1.00 0.00 WT3 O ATOM 43859 H1 TIP3 6361 53.083 59.732 -5.616 1.00 0.00 WT3 H ATOM 43860 H2 TIP3 6361 51.663 60.033 -6.044 1.00 0.00 WT3 H ATOM 43861 OH2 TIP3 6362 56.490 78.771 17.350 1.00 0.00 WT3 O ATOM 43862 H1 TIP3 6362 56.298 79.469 17.977 1.00 0.00 WT3 H ATOM 43863 H2 TIP3 6362 55.675 78.272 17.290 1.00 0.00 WT3 H ATOM 43864 OH2 TIP3 6363 74.822 79.302 37.735 1.00 0.00 WT3 O ATOM 43865 H1 TIP3 6363 73.928 78.984 37.863 1.00 0.00 WT3 H ATOM 43866 H2 TIP3 6363 75.175 79.390 38.620 1.00 0.00 WT3 H ATOM 43867 OH2 TIP3 6364 48.963 9.349 63.712 1.00 0.00 WT3 O ATOM 43868 H1 TIP3 6364 49.101 10.294 63.781 1.00 0.00 WT3 H ATOM 43869 H2 TIP3 6364 49.231 9.005 64.564 1.00 0.00 WT3 H ATOM 43870 OH2 TIP3 6365 89.286 95.897 32.785 1.00 0.00 WT3 O ATOM 43871 H1 TIP3 6365 88.531 95.577 32.292 1.00 0.00 WT3 H ATOM 43872 H2 TIP3 6365 89.625 95.123 33.235 1.00 0.00 WT3 H ATOM 43873 OH2 TIP3 6366 21.857 5.786 -12.717 1.00 0.00 WT3 O ATOM 43874 H1 TIP3 6366 22.398 5.271 -13.316 1.00 0.00 WT3 H ATOM 43875 H2 TIP3 6366 21.420 5.135 -12.169 1.00 0.00 WT3 H ATOM 43876 OH2 TIP3 6369 34.439 77.314 -12.901 1.00 0.00 WT3 O ATOM 43877 H1 TIP3 6369 33.708 76.860 -13.322 1.00 0.00 WT3 H ATOM 43878 H2 TIP3 6369 34.146 78.222 -12.827 1.00 0.00 WT3 H ATOM 43879 OH2 TIP3 6370 61.506 41.655 38.533 1.00 0.00 WT3 O ATOM 43880 H1 TIP3 6370 62.366 41.234 38.545 1.00 0.00 WT3 H ATOM 43881 H2 TIP3 6370 61.546 42.261 37.793 1.00 0.00 WT3 H ATOM 43882 OH2 TIP3 6371 30.664 55.402 3.291 1.00 0.00 WT3 O ATOM 43883 H1 TIP3 6371 31.084 54.659 3.723 1.00 0.00 WT3 H ATOM 43884 H2 TIP3 6371 31.336 56.083 3.276 1.00 0.00 WT3 H ATOM 43885 OH2 TIP3 6372 79.402 24.443 32.357 1.00 0.00 WT3 O ATOM 43886 H1 TIP3 6372 78.903 25.039 32.917 1.00 0.00 WT3 H ATOM 43887 H2 TIP3 6372 78.767 24.134 31.711 1.00 0.00 WT3 H ATOM 43888 OH2 TIP3 6373 56.298 9.789 -2.673 1.00 0.00 WT3 O ATOM 43889 H1 TIP3 6373 55.647 9.098 -2.799 1.00 0.00 WT3 H ATOM 43890 H2 TIP3 6373 57.136 9.368 -2.866 1.00 0.00 WT3 H ATOM 43891 OH2 TIP3 6374 68.803 72.909 47.593 1.00 0.00 WT3 O ATOM 43892 H1 TIP3 6374 68.958 71.992 47.366 1.00 0.00 WT3 H ATOM 43893 H2 TIP3 6374 67.910 72.922 47.940 1.00 0.00 WT3 H ATOM 43894 OH2 TIP3 6375 45.009 78.038 -6.495 1.00 0.00 WT3 O ATOM 43895 H1 TIP3 6375 45.688 77.402 -6.272 1.00 0.00 WT3 H ATOM 43896 H2 TIP3 6375 44.839 77.892 -7.425 1.00 0.00 WT3 H ATOM 43897 OH2 TIP3 6377 86.459 87.793 21.019 1.00 0.00 WT3 O ATOM 43898 H1 TIP3 6377 87.024 87.372 20.372 1.00 0.00 WT3 H ATOM 43899 H2 TIP3 6377 85.861 88.332 20.502 1.00 0.00 WT3 H ATOM 43900 OH2 TIP3 6380 52.253 75.018 39.888 1.00 0.00 WT3 O ATOM 43901 H1 TIP3 6380 52.140 74.090 39.681 1.00 0.00 WT3 H ATOM 43902 H2 TIP3 6380 52.661 75.390 39.107 1.00 0.00 WT3 H ATOM 43903 OH2 TIP3 6381 42.485 74.030 -17.357 1.00 0.00 WT3 O ATOM 43904 H1 TIP3 6381 43.288 73.974 -17.875 1.00 0.00 WT3 H ATOM 43905 H2 TIP3 6381 42.207 73.120 -17.246 1.00 0.00 WT3 H ATOM 43906 OH2 TIP3 6384 31.363 32.687 32.355 1.00 0.00 WT3 O ATOM 43907 H1 TIP3 6384 31.884 32.372 31.616 1.00 0.00 WT3 H ATOM 43908 H2 TIP3 6384 30.639 33.165 31.951 1.00 0.00 WT3 H ATOM 43909 OH2 TIP3 6386 30.730 88.149 34.522 1.00 0.00 WT3 O ATOM 43910 H1 TIP3 6386 30.741 88.392 33.596 1.00 0.00 WT3 H ATOM 43911 H2 TIP3 6386 31.448 88.650 34.910 1.00 0.00 WT3 H ATOM 43912 OH2 TIP3 6388 67.242 30.528 12.228 1.00 0.00 WT3 O ATOM 43913 H1 TIP3 6388 67.514 31.235 12.812 1.00 0.00 WT3 H ATOM 43914 H2 TIP3 6388 66.569 30.921 11.672 1.00 0.00 WT3 H ATOM 43915 OH2 TIP3 6390 44.234 87.965 -7.745 1.00 0.00 WT3 O ATOM 43916 H1 TIP3 6390 44.663 87.781 -6.909 1.00 0.00 WT3 H ATOM 43917 H2 TIP3 6390 43.315 87.740 -7.598 1.00 0.00 WT3 H ATOM 43918 OH2 TIP3 6391 49.878 74.251 30.616 1.00 0.00 WT3 O ATOM 43919 H1 TIP3 6391 50.021 73.305 30.590 1.00 0.00 WT3 H ATOM 43920 H2 TIP3 6391 50.127 74.554 29.743 1.00 0.00 WT3 H ATOM 43921 OH2 TIP3 6393 39.122 91.634 -7.560 1.00 0.00 WT3 O ATOM 43922 H1 TIP3 6393 38.761 91.090 -8.260 1.00 0.00 WT3 H ATOM 43923 H2 TIP3 6393 38.469 91.591 -6.862 1.00 0.00 WT3 H ATOM 43924 OH2 TIP3 6395 31.674 10.369 28.201 1.00 0.00 WT3 O ATOM 43925 H1 TIP3 6395 32.003 10.165 27.326 1.00 0.00 WT3 H ATOM 43926 H2 TIP3 6395 31.346 11.266 28.130 1.00 0.00 WT3 H ATOM 43927 OH2 TIP3 6400 87.324 45.457 53.994 1.00 0.00 WT3 O ATOM 43928 H1 TIP3 6400 86.934 46.321 54.133 1.00 0.00 WT3 H ATOM 43929 H2 TIP3 6400 88.169 45.501 54.441 1.00 0.00 WT3 H ATOM 43930 OH2 TIP3 6401 40.289 95.290 63.491 1.00 0.00 WT3 O ATOM 43931 H1 TIP3 6401 40.469 94.364 63.331 1.00 0.00 WT3 H ATOM 43932 H2 TIP3 6401 40.185 95.354 64.440 1.00 0.00 WT3 H ATOM 43933 OH2 TIP3 6403 40.976 73.280 32.699 1.00 0.00 WT3 O ATOM 43934 H1 TIP3 6403 40.753 73.143 33.620 1.00 0.00 WT3 H ATOM 43935 H2 TIP3 6403 41.102 72.398 32.349 1.00 0.00 WT3 H ATOM 43936 OH2 TIP3 6411 48.466 5.590 39.906 1.00 0.00 WT3 O ATOM 43937 H1 TIP3 6411 48.587 4.721 39.524 1.00 0.00 WT3 H ATOM 43938 H2 TIP3 6411 48.502 6.187 39.158 1.00 0.00 WT3 H ATOM 43939 OH2 TIP3 6417 38.545 87.020 26.729 1.00 0.00 WT3 O ATOM 43940 H1 TIP3 6417 39.031 86.196 26.781 1.00 0.00 WT3 H ATOM 43941 H2 TIP3 6417 39.126 87.611 26.250 1.00 0.00 WT3 H ATOM 43942 OH2 TIP3 6420 79.332 1.601 -18.908 1.00 0.00 WT3 O ATOM 43943 H1 TIP3 6420 79.110 2.416 -18.458 1.00 0.00 WT3 H ATOM 43944 H2 TIP3 6420 78.613 1.463 -19.525 1.00 0.00 WT3 H ATOM 43945 OH2 TIP3 6421 88.500 3.972 2.152 1.00 0.00 WT3 O ATOM 43946 H1 TIP3 6421 88.768 3.312 2.792 1.00 0.00 WT3 H ATOM 43947 H2 TIP3 6421 89.318 4.250 1.739 1.00 0.00 WT3 H ATOM 43948 OH2 TIP3 6424 23.346 43.753 20.842 1.00 0.00 WT3 O ATOM 43949 H1 TIP3 6424 22.557 43.387 21.244 1.00 0.00 WT3 H ATOM 43950 H2 TIP3 6424 24.057 43.197 21.160 1.00 0.00 WT3 H ATOM 43951 OH2 TIP3 6428 21.953 94.050 7.006 1.00 0.00 WT3 O ATOM 43952 H1 TIP3 6428 22.224 93.911 6.098 1.00 0.00 WT3 H ATOM 43953 H2 TIP3 6428 22.207 94.952 7.197 1.00 0.00 WT3 H ATOM 43954 OH2 TIP3 6429 68.293 19.140 -10.601 1.00 0.00 WT3 O ATOM 43955 H1 TIP3 6429 68.809 19.927 -10.776 1.00 0.00 WT3 H ATOM 43956 H2 TIP3 6429 68.942 18.468 -10.393 1.00 0.00 WT3 H ATOM 43957 OH2 TIP3 6441 71.055 20.710 41.784 1.00 0.00 WT3 O ATOM 43958 H1 TIP3 6441 71.545 20.284 42.488 1.00 0.00 WT3 H ATOM 43959 H2 TIP3 6441 71.406 20.325 40.981 1.00 0.00 WT3 H ATOM 43960 OH2 TIP3 6492 67.321 4.546 52.315 1.00 0.00 WT3 O ATOM 43961 H1 TIP3 6492 66.705 3.854 52.075 1.00 0.00 WT3 H ATOM 43962 H2 TIP3 6492 66.767 5.286 52.561 1.00 0.00 WT3 H ATOM 43963 OH2 TIP3 6499 57.769 65.784 12.856 1.00 0.00 WT3 O ATOM 43964 H1 TIP3 6499 58.554 65.698 13.397 1.00 0.00 WT3 H ATOM 43965 H2 TIP3 6499 57.409 64.898 12.814 1.00 0.00 WT3 H ATOM 43966 OH2 TIP3 6536 36.673 77.333 4.471 1.00 0.00 WT3 O ATOM 43967 H1 TIP3 6536 37.599 77.112 4.569 1.00 0.00 WT3 H ATOM 43968 H2 TIP3 6536 36.652 77.964 3.752 1.00 0.00 WT3 H ATOM 43969 OH2 TIP3 6551 69.235 65.703 56.807 1.00 0.00 WT3 O ATOM 43970 H1 TIP3 6551 69.841 66.322 57.213 1.00 0.00 WT3 H ATOM 43971 H2 TIP3 6551 68.681 66.244 56.244 1.00 0.00 WT3 H ATOM 43972 OH2 TIP3 6555 81.309 40.893 65.146 1.00 0.00 WT3 O ATOM 43973 H1 TIP3 6555 81.681 40.367 65.853 1.00 0.00 WT3 H ATOM 43974 H2 TIP3 6555 80.506 40.433 64.901 1.00 0.00 WT3 H ATOM 43975 OH2 TIP3 6569 25.683 54.677 -12.294 1.00 0.00 WT3 O ATOM 43976 H1 TIP3 6569 25.590 54.844 -13.231 1.00 0.00 WT3 H ATOM 43977 H2 TIP3 6569 25.661 55.546 -11.892 1.00 0.00 WT3 H ATOM 43978 OH2 TIP3 6571 33.547 71.813 -13.805 1.00 0.00 WT3 O ATOM 43979 H1 TIP3 6571 33.461 71.094 -14.431 1.00 0.00 WT3 H ATOM 43980 H2 TIP3 6571 34.361 71.627 -13.336 1.00 0.00 WT3 H ATOM 43981 OH2 TIP3 6575 83.150 73.103 32.344 1.00 0.00 WT3 O ATOM 43982 H1 TIP3 6575 82.997 73.322 33.263 1.00 0.00 WT3 H ATOM 43983 H2 TIP3 6575 82.865 73.878 31.860 1.00 0.00 WT3 H ATOM 43984 OH2 TIP3 6579 84.264 54.489 -12.428 1.00 0.00 WT3 O ATOM 43985 H1 TIP3 6579 84.248 55.253 -11.852 1.00 0.00 WT3 H ATOM 43986 H2 TIP3 6579 85.185 54.229 -12.457 1.00 0.00 WT3 H ATOM 43987 OH2 TIP3 6592 64.146 60.930 32.107 1.00 0.00 WT3 O ATOM 43988 H1 TIP3 6592 63.854 60.350 32.810 1.00 0.00 WT3 H ATOM 43989 H2 TIP3 6592 63.642 61.733 32.233 1.00 0.00 WT3 H ATOM 43990 OH2 TIP3 6595 72.621 75.700 15.218 1.00 0.00 WT3 O ATOM 43991 H1 TIP3 6595 72.365 74.818 14.948 1.00 0.00 WT3 H ATOM 43992 H2 TIP3 6595 72.162 76.281 14.612 1.00 0.00 WT3 H ATOM 43993 OH2 TIP3 6597 31.957 55.566 46.030 1.00 0.00 WT3 O ATOM 43994 H1 TIP3 6597 32.907 55.491 46.121 1.00 0.00 WT3 H ATOM 43995 H2 TIP3 6597 31.604 54.982 46.701 1.00 0.00 WT3 H ATOM 43996 OH2 TIP3 6602 40.475 30.308 6.473 1.00 0.00 WT3 O ATOM 43997 H1 TIP3 6602 41.235 30.694 6.908 1.00 0.00 WT3 H ATOM 43998 H2 TIP3 6602 40.099 29.717 7.126 1.00 0.00 WT3 H ATOM 43999 OH2 TIP3 6603 67.638 46.129 13.522 1.00 0.00 WT3 O ATOM 44000 H1 TIP3 6603 67.117 45.347 13.340 1.00 0.00 WT3 H ATOM 44001 H2 TIP3 6603 67.160 46.579 14.219 1.00 0.00 WT3 H ATOM 44002 OH2 TIP3 6606 82.241 76.905 24.960 1.00 0.00 WT3 O ATOM 44003 H1 TIP3 6606 82.474 77.110 25.865 1.00 0.00 WT3 H ATOM 44004 H2 TIP3 6606 81.957 75.991 24.986 1.00 0.00 WT3 H ATOM 44005 OH2 TIP3 6613 65.522 63.501 57.969 1.00 0.00 WT3 O ATOM 44006 H1 TIP3 6613 64.701 63.922 58.223 1.00 0.00 WT3 H ATOM 44007 H2 TIP3 6613 66.165 63.830 58.597 1.00 0.00 WT3 H ATOM 44008 OH2 TIP3 6614 46.558 61.240 -5.559 1.00 0.00 WT3 O ATOM 44009 H1 TIP3 6614 46.888 60.342 -5.592 1.00 0.00 WT3 H ATOM 44010 H2 TIP3 6614 46.597 61.476 -4.632 1.00 0.00 WT3 H ATOM 44011 OH2 TIP3 6615 86.956 38.665 32.303 1.00 0.00 WT3 O ATOM 44012 H1 TIP3 6615 86.240 38.619 31.670 1.00 0.00 WT3 H ATOM 44013 H2 TIP3 6615 87.326 37.782 32.312 1.00 0.00 WT3 H ATOM 44014 OH2 TIP3 6616 84.203 2.619 9.293 1.00 0.00 WT3 O ATOM 44015 H1 TIP3 6616 83.678 3.222 8.766 1.00 0.00 WT3 H ATOM 44016 H2 TIP3 6616 84.503 3.147 10.033 1.00 0.00 WT3 H ATOM 44017 OH2 TIP3 6618 83.504 67.915 -6.128 1.00 0.00 WT3 O ATOM 44018 H1 TIP3 6618 83.163 68.106 -5.254 1.00 0.00 WT3 H ATOM 44019 H2 TIP3 6618 82.814 67.401 -6.547 1.00 0.00 WT3 H ATOM 44020 OH2 TIP3 6620 28.932 43.993 0.916 1.00 0.00 WT3 O ATOM 44021 H1 TIP3 6620 28.316 43.455 1.413 1.00 0.00 WT3 H ATOM 44022 H2 TIP3 6620 28.523 44.858 0.883 1.00 0.00 WT3 H ATOM 44023 OH2 TIP3 6621 42.925 85.623 -12.795 1.00 0.00 WT3 O ATOM 44024 H1 TIP3 6621 42.181 85.906 -12.265 1.00 0.00 WT3 H ATOM 44025 H2 TIP3 6621 43.069 86.341 -13.411 1.00 0.00 WT3 H ATOM 44026 OH2 TIP3 6622 76.532 44.877 12.551 1.00 0.00 WT3 O ATOM 44027 H1 TIP3 6622 77.288 44.318 12.730 1.00 0.00 WT3 H ATOM 44028 H2 TIP3 6622 75.853 44.274 12.250 1.00 0.00 WT3 H ATOM 44029 OH2 TIP3 6623 88.438 75.265 -7.070 1.00 0.00 WT3 O ATOM 44030 H1 TIP3 6623 88.253 74.348 -7.273 1.00 0.00 WT3 H ATOM 44031 H2 TIP3 6623 88.227 75.737 -7.875 1.00 0.00 WT3 H ATOM 44032 OH2 TIP3 6625 79.015 7.431 48.491 1.00 0.00 WT3 O ATOM 44033 H1 TIP3 6625 79.454 7.809 49.253 1.00 0.00 WT3 H ATOM 44034 H2 TIP3 6625 79.165 6.489 48.571 1.00 0.00 WT3 H ATOM 44035 OH2 TIP3 6627 49.099 85.123 7.676 1.00 0.00 WT3 O ATOM 44036 H1 TIP3 6627 48.677 84.830 8.483 1.00 0.00 WT3 H ATOM 44037 H2 TIP3 6627 49.900 84.600 7.620 1.00 0.00 WT3 H ATOM 44038 OH2 TIP3 6628 61.772 74.753 54.904 1.00 0.00 WT3 O ATOM 44039 H1 TIP3 6628 62.616 74.864 54.466 1.00 0.00 WT3 H ATOM 44040 H2 TIP3 6628 61.550 75.627 55.224 1.00 0.00 WT3 H ATOM 44041 OH2 TIP3 6629 34.523 72.135 -0.557 1.00 0.00 WT3 O ATOM 44042 H1 TIP3 6629 35.153 72.551 -1.146 1.00 0.00 WT3 H ATOM 44043 H2 TIP3 6629 34.920 72.210 0.311 1.00 0.00 WT3 H ATOM 44044 OH2 TIP3 6632 67.248 9.906 15.081 1.00 0.00 WT3 O ATOM 44045 H1 TIP3 6632 67.967 10.508 15.274 1.00 0.00 WT3 H ATOM 44046 H2 TIP3 6632 67.020 10.088 14.170 1.00 0.00 WT3 H ATOM 44047 OH2 TIP3 6634 75.528 62.869 -13.919 1.00 0.00 WT3 O ATOM 44048 H1 TIP3 6634 76.338 62.961 -13.418 1.00 0.00 WT3 H ATOM 44049 H2 TIP3 6634 75.084 63.710 -13.815 1.00 0.00 WT3 H ATOM 44050 OH2 TIP3 6637 82.925 2.216 -8.688 1.00 0.00 WT3 O ATOM 44051 H1 TIP3 6637 82.206 2.848 -8.657 1.00 0.00 WT3 H ATOM 44052 H2 TIP3 6637 82.573 1.477 -9.184 1.00 0.00 WT3 H ATOM 44053 OH2 TIP3 6639 61.705 51.658 36.702 1.00 0.00 WT3 O ATOM 44054 H1 TIP3 6639 60.817 52.013 36.721 1.00 0.00 WT3 H ATOM 44055 H2 TIP3 6639 61.786 51.261 35.835 1.00 0.00 WT3 H ATOM 44056 OH2 TIP3 6640 89.122 94.961 -0.053 1.00 0.00 WT3 O ATOM 44057 H1 TIP3 6640 88.363 94.956 0.529 1.00 0.00 WT3 H ATOM 44058 H2 TIP3 6640 89.429 95.868 -0.038 1.00 0.00 WT3 H ATOM 44059 OH2 TIP3 6641 46.507 28.811 1.389 1.00 0.00 WT3 O ATOM 44060 H1 TIP3 6641 47.383 28.908 1.762 1.00 0.00 WT3 H ATOM 44061 H2 TIP3 6641 46.161 29.703 1.353 1.00 0.00 WT3 H ATOM 44062 OH2 TIP3 6644 54.654 7.571 -3.013 1.00 0.00 WT3 O ATOM 44063 H1 TIP3 6644 54.887 6.975 -2.301 1.00 0.00 WT3 H ATOM 44064 H2 TIP3 6644 54.521 6.999 -3.770 1.00 0.00 WT3 H ATOM 44065 OH2 TIP3 6645 28.229 92.349 -16.698 1.00 0.00 WT3 O ATOM 44066 H1 TIP3 6645 28.539 93.099 -17.205 1.00 0.00 WT3 H ATOM 44067 H2 TIP3 6645 27.412 92.091 -17.126 1.00 0.00 WT3 H ATOM 44068 OH2 TIP3 6648 54.241 68.614 22.148 1.00 0.00 WT3 O ATOM 44069 H1 TIP3 6648 54.921 69.153 21.744 1.00 0.00 WT3 H ATOM 44070 H2 TIP3 6648 54.428 67.726 21.845 1.00 0.00 WT3 H ATOM 44071 OH2 TIP3 6649 81.706 77.748 58.705 1.00 0.00 WT3 O ATOM 44072 H1 TIP3 6649 81.062 78.159 59.282 1.00 0.00 WT3 H ATOM 44073 H2 TIP3 6649 81.733 76.834 58.988 1.00 0.00 WT3 H ATOM 44074 OH2 TIP3 6650 63.506 56.763 32.671 1.00 0.00 WT3 O ATOM 44075 H1 TIP3 6650 63.989 57.306 32.048 1.00 0.00 WT3 H ATOM 44076 H2 TIP3 6650 62.684 56.559 32.225 1.00 0.00 WT3 H ATOM 44077 OH2 TIP3 6651 67.638 63.858 41.007 1.00 0.00 WT3 O ATOM 44078 H1 TIP3 6651 67.841 64.784 40.874 1.00 0.00 WT3 H ATOM 44079 H2 TIP3 6651 67.222 63.584 40.190 1.00 0.00 WT3 H ATOM 44080 OH2 TIP3 6652 54.906 91.330 -12.245 1.00 0.00 WT3 O ATOM 44081 H1 TIP3 6652 54.096 91.798 -12.042 1.00 0.00 WT3 H ATOM 44082 H2 TIP3 6652 55.066 90.782 -11.477 1.00 0.00 WT3 H ATOM 44083 OH2 TIP3 6653 22.192 7.863 -18.774 1.00 0.00 WT3 O ATOM 44084 H1 TIP3 6653 22.104 7.230 -18.061 1.00 0.00 WT3 H ATOM 44085 H2 TIP3 6653 22.456 7.338 -19.529 1.00 0.00 WT3 H ATOM 44086 OH2 TIP3 6655 51.968 4.702 -16.612 1.00 0.00 WT3 O ATOM 44087 H1 TIP3 6655 51.274 4.315 -16.079 1.00 0.00 WT3 H ATOM 44088 H2 TIP3 6655 52.615 5.010 -15.978 1.00 0.00 WT3 H ATOM 44089 OH2 TIP3 6658 38.418 58.930 35.880 1.00 0.00 WT3 O ATOM 44090 H1 TIP3 6658 38.763 59.322 36.683 1.00 0.00 WT3 H ATOM 44091 H2 TIP3 6658 38.812 58.058 35.851 1.00 0.00 WT3 H ATOM 44092 OH2 TIP3 6659 59.800 39.881 49.562 1.00 0.00 WT3 O ATOM 44093 H1 TIP3 6659 60.135 39.648 50.427 1.00 0.00 WT3 H ATOM 44094 H2 TIP3 6659 58.896 40.152 49.720 1.00 0.00 WT3 H ATOM 44095 OH2 TIP3 6660 41.241 8.437 49.465 1.00 0.00 WT3 O ATOM 44096 H1 TIP3 6660 41.438 9.310 49.803 1.00 0.00 WT3 H ATOM 44097 H2 TIP3 6660 41.166 7.888 50.245 1.00 0.00 WT3 H ATOM 44098 OH2 TIP3 6661 56.398 78.603 -17.490 1.00 0.00 WT3 O ATOM 44099 H1 TIP3 6661 56.229 78.138 -16.671 1.00 0.00 WT3 H ATOM 44100 H2 TIP3 6661 57.338 78.496 -17.638 1.00 0.00 WT3 H ATOM 44101 OH2 TIP3 6662 55.204 10.646 53.745 1.00 0.00 WT3 O ATOM 44102 H1 TIP3 6662 54.789 10.598 54.605 1.00 0.00 WT3 H ATOM 44103 H2 TIP3 6662 54.819 11.420 53.334 1.00 0.00 WT3 H ATOM 44104 OH2 TIP3 6664 45.092 69.813 53.107 1.00 0.00 WT3 O ATOM 44105 H1 TIP3 6664 44.942 70.299 52.296 1.00 0.00 WT3 H ATOM 44106 H2 TIP3 6664 45.693 69.111 52.858 1.00 0.00 WT3 H ATOM 44107 OH2 TIP3 6665 89.575 11.812 -5.765 1.00 0.00 WT3 O ATOM 44108 H1 TIP3 6665 90.392 11.316 -5.714 1.00 0.00 WT3 H ATOM 44109 H2 TIP3 6665 88.956 11.213 -6.183 1.00 0.00 WT3 H ATOM 44110 OH2 TIP3 6666 40.991 36.590 27.489 1.00 0.00 WT3 O ATOM 44111 H1 TIP3 6666 41.685 35.941 27.596 1.00 0.00 WT3 H ATOM 44112 H2 TIP3 6666 41.340 37.212 26.850 1.00 0.00 WT3 H ATOM 44113 OH2 TIP3 6668 60.878 11.747 24.661 1.00 0.00 WT3 O ATOM 44114 H1 TIP3 6668 60.026 11.672 25.092 1.00 0.00 WT3 H ATOM 44115 H2 TIP3 6668 61.171 10.843 24.550 1.00 0.00 WT3 H ATOM 44116 OH2 TIP3 6670 31.894 87.155 61.596 1.00 0.00 WT3 O ATOM 44117 H1 TIP3 6670 31.335 86.392 61.741 1.00 0.00 WT3 H ATOM 44118 H2 TIP3 6670 31.291 87.899 61.600 1.00 0.00 WT3 H ATOM 44119 OH2 TIP3 6671 28.084 84.026 8.022 1.00 0.00 WT3 O ATOM 44120 H1 TIP3 6671 27.563 83.524 8.648 1.00 0.00 WT3 H ATOM 44121 H2 TIP3 6671 27.439 84.482 7.482 1.00 0.00 WT3 H ATOM 44122 OH2 TIP3 6673 64.124 8.336 23.900 1.00 0.00 WT3 O ATOM 44123 H1 TIP3 6673 64.598 9.166 23.950 1.00 0.00 WT3 H ATOM 44124 H2 TIP3 6673 64.804 7.680 23.746 1.00 0.00 WT3 H ATOM 44125 OH2 TIP3 6674 43.518 60.209 39.579 1.00 0.00 WT3 O ATOM 44126 H1 TIP3 6674 43.022 60.692 40.241 1.00 0.00 WT3 H ATOM 44127 H2 TIP3 6674 43.879 59.458 40.050 1.00 0.00 WT3 H ATOM 44128 OH2 TIP3 6677 89.311 10.176 55.632 1.00 0.00 WT3 O ATOM 44129 H1 TIP3 6677 88.561 9.854 56.132 1.00 0.00 WT3 H ATOM 44130 H2 TIP3 6677 88.924 10.669 54.909 1.00 0.00 WT3 H ATOM 44131 OH2 TIP3 6679 25.805 41.110 15.008 1.00 0.00 WT3 O ATOM 44132 H1 TIP3 6679 26.595 40.621 15.238 1.00 0.00 WT3 H ATOM 44133 H2 TIP3 6679 25.867 41.235 14.061 1.00 0.00 WT3 H ATOM 44134 OH2 TIP3 6680 30.825 79.257 23.708 1.00 0.00 WT3 O ATOM 44135 H1 TIP3 6680 30.023 79.593 23.307 1.00 0.00 WT3 H ATOM 44136 H2 TIP3 6680 31.115 78.562 23.118 1.00 0.00 WT3 H ATOM 44137 OH2 TIP3 6681 28.581 58.242 18.800 1.00 0.00 WT3 O ATOM 44138 H1 TIP3 6681 29.223 57.568 18.576 1.00 0.00 WT3 H ATOM 44139 H2 TIP3 6681 29.058 58.849 19.365 1.00 0.00 WT3 H ATOM 44140 OH2 TIP3 6682 75.582 48.566 45.578 1.00 0.00 WT3 O ATOM 44141 H1 TIP3 6682 75.209 48.213 44.770 1.00 0.00 WT3 H ATOM 44142 H2 TIP3 6682 74.854 48.562 46.200 1.00 0.00 WT3 H ATOM 44143 OH2 TIP3 6684 83.471 12.053 42.631 1.00 0.00 WT3 O ATOM 44144 H1 TIP3 6684 83.960 12.870 42.539 1.00 0.00 WT3 H ATOM 44145 H2 TIP3 6684 84.134 11.401 42.861 1.00 0.00 WT3 H ATOM 44146 OH2 TIP3 6685 37.007 10.589 54.229 1.00 0.00 WT3 O ATOM 44147 H1 TIP3 6685 36.652 10.203 55.030 1.00 0.00 WT3 H ATOM 44148 H2 TIP3 6685 37.843 10.142 54.097 1.00 0.00 WT3 H ATOM 44149 OH2 TIP3 6686 82.971 57.700 -4.891 1.00 0.00 WT3 O ATOM 44150 H1 TIP3 6686 82.958 58.648 -5.022 1.00 0.00 WT3 H ATOM 44151 H2 TIP3 6686 83.815 57.421 -5.244 1.00 0.00 WT3 H ATOM 44152 OH2 TIP3 6687 42.906 63.501 -0.103 1.00 0.00 WT3 O ATOM 44153 H1 TIP3 6687 43.824 63.474 0.167 1.00 0.00 WT3 H ATOM 44154 H2 TIP3 6687 42.414 63.493 0.718 1.00 0.00 WT3 H ATOM 44155 OH2 TIP3 6689 90.330 43.040 36.252 1.00 0.00 WT3 O ATOM 44156 H1 TIP3 6689 90.997 43.547 36.714 1.00 0.00 WT3 H ATOM 44157 H2 TIP3 6689 90.416 43.306 35.337 1.00 0.00 WT3 H ATOM 44158 OH2 TIP3 6690 59.647 64.452 -10.078 1.00 0.00 WT3 O ATOM 44159 H1 TIP3 6690 59.736 65.289 -9.623 1.00 0.00 WT3 H ATOM 44160 H2 TIP3 6690 58.972 64.609 -10.739 1.00 0.00 WT3 H ATOM 44161 OH2 TIP3 6691 69.785 62.722 46.617 1.00 0.00 WT3 O ATOM 44162 H1 TIP3 6691 69.286 61.908 46.685 1.00 0.00 WT3 H ATOM 44163 H2 TIP3 6691 69.606 63.040 45.732 1.00 0.00 WT3 H ATOM 44164 OH2 TIP3 6692 76.301 91.576 1.227 1.00 0.00 WT3 O ATOM 44165 H1 TIP3 6692 75.553 91.326 1.770 1.00 0.00 WT3 H ATOM 44166 H2 TIP3 6692 76.669 92.344 1.665 1.00 0.00 WT3 H ATOM 44167 OH2 TIP3 6694 81.511 41.992 29.708 1.00 0.00 WT3 O ATOM 44168 H1 TIP3 6694 82.222 41.723 30.290 1.00 0.00 WT3 H ATOM 44169 H2 TIP3 6694 81.556 42.948 29.699 1.00 0.00 WT3 H ATOM 44170 OH2 TIP3 6695 84.102 79.280 32.521 1.00 0.00 WT3 O ATOM 44171 H1 TIP3 6695 83.946 78.481 32.019 1.00 0.00 WT3 H ATOM 44172 H2 TIP3 6695 83.228 79.581 32.770 1.00 0.00 WT3 H ATOM 44173 OH2 TIP3 6697 63.190 94.945 -19.514 1.00 0.00 WT3 O ATOM 44174 H1 TIP3 6697 63.940 95.006 -20.105 1.00 0.00 WT3 H ATOM 44175 H2 TIP3 6697 62.816 94.081 -19.688 1.00 0.00 WT3 H ATOM 44176 OH2 TIP3 6698 58.345 19.185 44.321 1.00 0.00 WT3 O ATOM 44177 H1 TIP3 6698 59.146 18.804 44.682 1.00 0.00 WT3 H ATOM 44178 H2 TIP3 6698 58.520 19.268 43.384 1.00 0.00 WT3 H ATOM 44179 OH2 TIP3 6700 88.705 60.313 27.307 1.00 0.00 WT3 O ATOM 44180 H1 TIP3 6700 89.057 59.749 26.619 1.00 0.00 WT3 H ATOM 44181 H2 TIP3 6700 89.022 59.924 28.122 1.00 0.00 WT3 H ATOM 44182 OH2 TIP3 6701 52.548 84.278 -7.065 1.00 0.00 WT3 O ATOM 44183 H1 TIP3 6701 52.236 83.703 -7.763 1.00 0.00 WT3 H ATOM 44184 H2 TIP3 6701 51.750 84.632 -6.670 1.00 0.00 WT3 H ATOM 44185 OH2 TIP3 6702 53.364 11.746 10.469 1.00 0.00 WT3 O ATOM 44186 H1 TIP3 6702 54.249 12.102 10.394 1.00 0.00 WT3 H ATOM 44187 H2 TIP3 6702 52.799 12.427 10.104 1.00 0.00 WT3 H ATOM 44188 OH2 TIP3 6703 67.643 57.864 46.302 1.00 0.00 WT3 O ATOM 44189 H1 TIP3 6703 68.222 57.147 46.042 1.00 0.00 WT3 H ATOM 44190 H2 TIP3 6703 67.775 57.948 47.247 1.00 0.00 WT3 H ATOM 44191 OH2 TIP3 6704 21.230 14.743 -0.733 1.00 0.00 WT3 O ATOM 44192 H1 TIP3 6704 22.132 14.563 -0.997 1.00 0.00 WT3 H ATOM 44193 H2 TIP3 6704 21.216 15.683 -0.551 1.00 0.00 WT3 H ATOM 44194 OH2 TIP3 6705 59.740 83.394 -10.381 1.00 0.00 WT3 O ATOM 44195 H1 TIP3 6705 58.854 83.712 -10.209 1.00 0.00 WT3 H ATOM 44196 H2 TIP3 6705 60.030 83.027 -9.546 1.00 0.00 WT3 H ATOM 44197 OH2 TIP3 6706 22.334 61.587 17.455 1.00 0.00 WT3 O ATOM 44198 H1 TIP3 6706 23.265 61.788 17.549 1.00 0.00 WT3 H ATOM 44199 H2 TIP3 6706 22.050 61.346 18.337 1.00 0.00 WT3 H ATOM 44200 OH2 TIP3 6708 42.640 10.327 -14.358 1.00 0.00 WT3 O ATOM 44201 H1 TIP3 6708 42.908 10.731 -13.533 1.00 0.00 WT3 H ATOM 44202 H2 TIP3 6708 41.975 10.920 -14.710 1.00 0.00 WT3 H ATOM 44203 OH2 TIP3 6709 59.011 31.888 -15.761 1.00 0.00 WT3 O ATOM 44204 H1 TIP3 6709 59.346 31.783 -14.870 1.00 0.00 WT3 H ATOM 44205 H2 TIP3 6709 58.067 31.752 -15.680 1.00 0.00 WT3 H ATOM 44206 OH2 TIP3 6710 21.705 31.724 42.441 1.00 0.00 WT3 O ATOM 44207 H1 TIP3 6710 22.168 32.238 41.780 1.00 0.00 WT3 H ATOM 44208 H2 TIP3 6710 22.386 31.455 43.058 1.00 0.00 WT3 H ATOM 44209 OH2 TIP3 6712 85.562 35.712 33.142 1.00 0.00 WT3 O ATOM 44210 H1 TIP3 6712 85.027 35.880 32.366 1.00 0.00 WT3 H ATOM 44211 H2 TIP3 6712 85.413 36.472 33.705 1.00 0.00 WT3 H ATOM 44212 OH2 TIP3 6714 65.559 76.047 56.912 1.00 0.00 WT3 O ATOM 44213 H1 TIP3 6714 65.384 76.844 56.411 1.00 0.00 WT3 H ATOM 44214 H2 TIP3 6714 66.420 76.195 57.304 1.00 0.00 WT3 H ATOM 44215 OH2 TIP3 6715 54.662 60.790 -1.867 1.00 0.00 WT3 O ATOM 44216 H1 TIP3 6715 54.482 60.142 -1.186 1.00 0.00 WT3 H ATOM 44217 H2 TIP3 6715 54.744 61.618 -1.395 1.00 0.00 WT3 H ATOM 44218 OH2 TIP3 6716 47.319 87.947 30.640 1.00 0.00 WT3 O ATOM 44219 H1 TIP3 6716 46.734 87.240 30.914 1.00 0.00 WT3 H ATOM 44220 H2 TIP3 6716 47.118 88.669 31.235 1.00 0.00 WT3 H ATOM 44221 OH2 TIP3 6717 57.155 86.461 60.800 1.00 0.00 WT3 O ATOM 44222 H1 TIP3 6717 56.386 86.832 60.367 1.00 0.00 WT3 H ATOM 44223 H2 TIP3 6717 56.797 85.833 61.428 1.00 0.00 WT3 H ATOM 44224 OH2 TIP3 6718 68.807 10.697 11.198 1.00 0.00 WT3 O ATOM 44225 H1 TIP3 6718 69.501 10.039 11.154 1.00 0.00 WT3 H ATOM 44226 H2 TIP3 6718 69.259 11.508 11.431 1.00 0.00 WT3 H ATOM 44227 OH2 TIP3 6719 63.972 20.108 54.331 1.00 0.00 WT3 O ATOM 44228 H1 TIP3 6719 63.408 19.725 53.658 1.00 0.00 WT3 H ATOM 44229 H2 TIP3 6719 63.647 19.742 55.153 1.00 0.00 WT3 H ATOM 44230 OH2 TIP3 6720 27.898 30.919 -0.683 1.00 0.00 WT3 O ATOM 44231 H1 TIP3 6720 27.924 31.571 0.017 1.00 0.00 WT3 H ATOM 44232 H2 TIP3 6720 27.908 31.433 -1.491 1.00 0.00 WT3 H ATOM 44233 OH2 TIP3 6721 36.339 27.299 11.915 1.00 0.00 WT3 O ATOM 44234 H1 TIP3 6721 37.210 27.689 11.995 1.00 0.00 WT3 H ATOM 44235 H2 TIP3 6721 35.871 27.596 12.696 1.00 0.00 WT3 H ATOM 44236 OH2 TIP3 6722 64.864 8.637 -15.872 1.00 0.00 WT3 O ATOM 44237 H1 TIP3 6722 64.999 9.360 -15.260 1.00 0.00 WT3 H ATOM 44238 H2 TIP3 6722 63.913 8.536 -15.919 1.00 0.00 WT3 H ATOM 44239 OH2 TIP3 6723 78.818 54.273 -13.001 1.00 0.00 WT3 O ATOM 44240 H1 TIP3 6723 78.562 53.352 -12.966 1.00 0.00 WT3 H ATOM 44241 H2 TIP3 6723 78.331 54.685 -12.288 1.00 0.00 WT3 H ATOM 44242 OH2 TIP3 6724 39.666 54.497 58.377 1.00 0.00 WT3 O ATOM 44243 H1 TIP3 6724 38.983 54.575 57.711 1.00 0.00 WT3 H ATOM 44244 H2 TIP3 6724 39.213 54.150 59.146 1.00 0.00 WT3 H ATOM 44245 OH2 TIP3 6726 57.491 63.898 48.241 1.00 0.00 WT3 O ATOM 44246 H1 TIP3 6726 56.855 63.190 48.140 1.00 0.00 WT3 H ATOM 44247 H2 TIP3 6726 57.141 64.613 47.708 1.00 0.00 WT3 H ATOM 44248 OH2 TIP3 6727 39.556 75.840 0.702 1.00 0.00 WT3 O ATOM 44249 H1 TIP3 6727 39.170 75.417 1.468 1.00 0.00 WT3 H ATOM 44250 H2 TIP3 6727 40.470 75.989 0.945 1.00 0.00 WT3 H ATOM 44251 OH2 TIP3 6728 47.872 74.295 25.655 1.00 0.00 WT3 O ATOM 44252 H1 TIP3 6728 48.238 74.993 25.112 1.00 0.00 WT3 H ATOM 44253 H2 TIP3 6728 47.935 73.510 25.112 1.00 0.00 WT3 H ATOM 44254 OH2 TIP3 6729 50.142 28.719 21.265 1.00 0.00 WT3 O ATOM 44255 H1 TIP3 6729 49.424 28.323 21.760 1.00 0.00 WT3 H ATOM 44256 H2 TIP3 6729 50.110 29.647 21.497 1.00 0.00 WT3 H ATOM 44257 OH2 TIP3 6730 69.019 94.494 59.349 1.00 0.00 WT3 O ATOM 44258 H1 TIP3 6730 69.528 93.743 59.654 1.00 0.00 WT3 H ATOM 44259 H2 TIP3 6730 69.336 94.654 58.460 1.00 0.00 WT3 H ATOM 44260 OH2 TIP3 6731 37.434 8.990 -14.651 1.00 0.00 WT3 O ATOM 44261 H1 TIP3 6731 37.967 9.305 -15.381 1.00 0.00 WT3 H ATOM 44262 H2 TIP3 6731 37.087 8.151 -14.951 1.00 0.00 WT3 H ATOM 44263 OH2 TIP3 6732 28.089 70.186 47.248 1.00 0.00 WT3 O ATOM 44264 H1 TIP3 6732 27.666 69.340 47.395 1.00 0.00 WT3 H ATOM 44265 H2 TIP3 6732 29.008 69.970 47.089 1.00 0.00 WT3 H ATOM 44266 OH2 TIP3 6733 36.617 12.474 17.799 1.00 0.00 WT3 O ATOM 44267 H1 TIP3 6733 37.029 13.327 17.660 1.00 0.00 WT3 H ATOM 44268 H2 TIP3 6733 35.964 12.631 18.481 1.00 0.00 WT3 H ATOM 44269 OH2 TIP3 6734 28.744 95.793 14.018 1.00 0.00 WT3 O ATOM 44270 H1 TIP3 6734 29.615 95.456 14.228 1.00 0.00 WT3 H ATOM 44271 H2 TIP3 6734 28.863 96.741 13.952 1.00 0.00 WT3 H ATOM 44272 OH2 TIP3 6735 51.943 58.215 59.766 1.00 0.00 WT3 O ATOM 44273 H1 TIP3 6735 52.758 58.056 59.290 1.00 0.00 WT3 H ATOM 44274 H2 TIP3 6735 51.687 59.102 59.512 1.00 0.00 WT3 H ATOM 44275 OH2 TIP3 6736 53.056 89.607 26.906 1.00 0.00 WT3 O ATOM 44276 H1 TIP3 6736 53.775 89.823 26.313 1.00 0.00 WT3 H ATOM 44277 H2 TIP3 6736 52.888 88.677 26.751 1.00 0.00 WT3 H ATOM 44278 OH2 TIP3 6737 61.390 53.219 30.657 1.00 0.00 WT3 O ATOM 44279 H1 TIP3 6737 60.442 53.337 30.713 1.00 0.00 WT3 H ATOM 44280 H2 TIP3 6737 61.513 52.601 29.937 1.00 0.00 WT3 H ATOM 44281 OH2 TIP3 6738 60.939 82.188 23.546 1.00 0.00 WT3 O ATOM 44282 H1 TIP3 6738 60.041 81.878 23.425 1.00 0.00 WT3 H ATOM 44283 H2 TIP3 6738 61.382 81.471 23.998 1.00 0.00 WT3 H ATOM 44284 OH2 TIP3 6739 28.577 21.388 -17.543 1.00 0.00 WT3 O ATOM 44285 H1 TIP3 6739 27.955 21.232 -16.833 1.00 0.00 WT3 H ATOM 44286 H2 TIP3 6739 28.190 20.949 -18.301 1.00 0.00 WT3 H ATOM 44287 OH2 TIP3 6740 26.203 4.615 34.806 1.00 0.00 WT3 O ATOM 44288 H1 TIP3 6740 26.814 4.039 34.348 1.00 0.00 WT3 H ATOM 44289 H2 TIP3 6740 25.342 4.231 34.641 1.00 0.00 WT3 H ATOM 44290 OH2 TIP3 6741 51.432 74.798 33.052 1.00 0.00 WT3 O ATOM 44291 H1 TIP3 6741 51.734 74.054 33.574 1.00 0.00 WT3 H ATOM 44292 H2 TIP3 6741 51.176 74.414 32.214 1.00 0.00 WT3 H ATOM 44293 OH2 TIP3 6742 38.774 94.788 16.293 1.00 0.00 WT3 O ATOM 44294 H1 TIP3 6742 38.350 95.623 16.491 1.00 0.00 WT3 H ATOM 44295 H2 TIP3 6742 38.760 94.308 17.121 1.00 0.00 WT3 H ATOM 44296 OH2 TIP3 6743 82.505 57.995 65.064 1.00 0.00 WT3 O ATOM 44297 H1 TIP3 6743 81.666 58.285 65.422 1.00 0.00 WT3 H ATOM 44298 H2 TIP3 6743 82.271 57.329 64.417 1.00 0.00 WT3 H ATOM 44299 OH2 TIP3 6744 88.865 76.636 14.970 1.00 0.00 WT3 O ATOM 44300 H1 TIP3 6744 88.829 77.571 14.770 1.00 0.00 WT3 H ATOM 44301 H2 TIP3 6744 87.959 76.397 15.162 1.00 0.00 WT3 H ATOM 44302 OH2 TIP3 6745 84.610 27.374 14.750 1.00 0.00 WT3 O ATOM 44303 H1 TIP3 6745 83.959 27.818 15.292 1.00 0.00 WT3 H ATOM 44304 H2 TIP3 6745 84.206 27.320 13.884 1.00 0.00 WT3 H ATOM 44305 OH2 TIP3 6746 62.787 3.914 13.433 1.00 0.00 WT3 O ATOM 44306 H1 TIP3 6746 62.184 4.255 12.773 1.00 0.00 WT3 H ATOM 44307 H2 TIP3 6746 63.630 3.861 12.984 1.00 0.00 WT3 H ATOM 44308 OH2 TIP3 6747 86.929 80.040 41.154 1.00 0.00 WT3 O ATOM 44309 H1 TIP3 6747 87.035 79.666 42.029 1.00 0.00 WT3 H ATOM 44310 H2 TIP3 6747 86.961 80.987 41.292 1.00 0.00 WT3 H ATOM 44311 OH2 TIP3 6749 45.228 26.726 28.638 1.00 0.00 WT3 O ATOM 44312 H1 TIP3 6749 45.794 27.223 28.047 1.00 0.00 WT3 H ATOM 44313 H2 TIP3 6749 44.339 26.972 28.381 1.00 0.00 WT3 H ATOM 44314 OH2 TIP3 6750 60.802 67.483 40.192 1.00 0.00 WT3 O ATOM 44315 H1 TIP3 6750 60.723 67.974 39.374 1.00 0.00 WT3 H ATOM 44316 H2 TIP3 6750 60.994 66.587 39.916 1.00 0.00 WT3 H ATOM 44317 OH2 TIP3 6751 31.891 37.685 20.388 1.00 0.00 WT3 O ATOM 44318 H1 TIP3 6751 32.420 37.576 19.597 1.00 0.00 WT3 H ATOM 44319 H2 TIP3 6751 31.136 38.199 20.102 1.00 0.00 WT3 H ATOM 44320 OH2 TIP3 6752 78.046 59.076 63.367 1.00 0.00 WT3 O ATOM 44321 H1 TIP3 6752 77.631 59.153 62.508 1.00 0.00 WT3 H ATOM 44322 H2 TIP3 6752 77.321 59.140 63.990 1.00 0.00 WT3 H ATOM 44323 OH2 TIP3 6753 28.739 5.221 7.733 1.00 0.00 WT3 O ATOM 44324 H1 TIP3 6753 29.359 5.331 8.454 1.00 0.00 WT3 H ATOM 44325 H2 TIP3 6753 29.209 5.536 6.961 1.00 0.00 WT3 H ATOM 44326 OH2 TIP3 6755 60.389 85.505 36.661 1.00 0.00 WT3 O ATOM 44327 H1 TIP3 6755 59.888 86.129 36.136 1.00 0.00 WT3 H ATOM 44328 H2 TIP3 6755 60.238 84.660 36.237 1.00 0.00 WT3 H ATOM 44329 OH2 TIP3 6757 33.222 91.340 44.436 1.00 0.00 WT3 O ATOM 44330 H1 TIP3 6757 33.731 91.155 45.225 1.00 0.00 WT3 H ATOM 44331 H2 TIP3 6757 33.064 90.481 44.045 1.00 0.00 WT3 H ATOM 44332 OH2 TIP3 6760 90.133 87.481 47.022 1.00 0.00 WT3 O ATOM 44333 H1 TIP3 6760 90.847 87.875 46.521 1.00 0.00 WT3 H ATOM 44334 H2 TIP3 6760 90.490 86.650 47.335 1.00 0.00 WT3 H ATOM 44335 OH2 TIP3 6761 73.097 68.238 30.878 1.00 0.00 WT3 O ATOM 44336 H1 TIP3 6761 72.539 68.662 31.530 1.00 0.00 WT3 H ATOM 44337 H2 TIP3 6761 72.491 67.740 30.330 1.00 0.00 WT3 H ATOM 44338 OH2 TIP3 6762 64.081 82.667 36.376 1.00 0.00 WT3 O ATOM 44339 H1 TIP3 6762 64.757 83.324 36.208 1.00 0.00 WT3 H ATOM 44340 H2 TIP3 6762 64.269 81.965 35.753 1.00 0.00 WT3 H ATOM 44341 OH2 TIP3 6763 79.983 28.574 25.699 1.00 0.00 WT3 O ATOM 44342 H1 TIP3 6763 80.801 28.604 26.194 1.00 0.00 WT3 H ATOM 44343 H2 TIP3 6763 80.022 29.340 25.126 1.00 0.00 WT3 H ATOM 44344 OH2 TIP3 6764 54.919 87.206 -18.995 1.00 0.00 WT3 O ATOM 44345 H1 TIP3 6764 54.195 87.359 -18.389 1.00 0.00 WT3 H ATOM 44346 H2 TIP3 6764 54.868 87.931 -19.619 1.00 0.00 WT3 H ATOM 44347 OH2 TIP3 6765 60.668 86.475 -13.948 1.00 0.00 WT3 O ATOM 44348 H1 TIP3 6765 61.036 87.355 -14.031 1.00 0.00 WT3 H ATOM 44349 H2 TIP3 6765 59.971 86.443 -14.603 1.00 0.00 WT3 H ATOM 44350 OH2 TIP3 6766 69.357 34.484 49.343 1.00 0.00 WT3 O ATOM 44351 H1 TIP3 6766 69.123 35.129 50.011 1.00 0.00 WT3 H ATOM 44352 H2 TIP3 6766 68.780 34.682 48.606 1.00 0.00 WT3 H ATOM 44353 OH2 TIP3 6767 56.530 67.982 59.764 1.00 0.00 WT3 O ATOM 44354 H1 TIP3 6767 55.612 67.744 59.888 1.00 0.00 WT3 H ATOM 44355 H2 TIP3 6767 56.502 68.873 59.414 1.00 0.00 WT3 H ATOM 44356 OH2 TIP3 6769 47.466 38.264 -6.824 1.00 0.00 WT3 O ATOM 44357 H1 TIP3 6769 47.395 39.211 -6.948 1.00 0.00 WT3 H ATOM 44358 H2 TIP3 6769 46.740 38.044 -6.239 1.00 0.00 WT3 H ATOM 44359 OH2 TIP3 6770 80.242 41.312 60.114 1.00 0.00 WT3 O ATOM 44360 H1 TIP3 6770 81.019 41.635 59.658 1.00 0.00 WT3 H ATOM 44361 H2 TIP3 6770 79.578 41.234 59.429 1.00 0.00 WT3 H ATOM 44362 OH2 TIP3 6771 38.410 89.816 9.086 1.00 0.00 WT3 O ATOM 44363 H1 TIP3 6771 38.475 89.254 9.858 1.00 0.00 WT3 H ATOM 44364 H2 TIP3 6771 37.514 90.152 9.107 1.00 0.00 WT3 H ATOM 44365 OH2 TIP3 6772 31.924 91.707 -18.541 1.00 0.00 WT3 O ATOM 44366 H1 TIP3 6772 32.324 92.539 -18.286 1.00 0.00 WT3 H ATOM 44367 H2 TIP3 6772 32.562 91.044 -18.279 1.00 0.00 WT3 H ATOM 44368 OH2 TIP3 6773 74.197 85.601 31.425 1.00 0.00 WT3 O ATOM 44369 H1 TIP3 6773 74.935 85.252 31.924 1.00 0.00 WT3 H ATOM 44370 H2 TIP3 6773 73.907 84.868 30.881 1.00 0.00 WT3 H ATOM 44371 OH2 TIP3 6774 56.738 2.495 43.636 1.00 0.00 WT3 O ATOM 44372 H1 TIP3 6774 56.929 1.742 43.076 1.00 0.00 WT3 H ATOM 44373 H2 TIP3 6774 57.582 2.725 44.025 1.00 0.00 WT3 H ATOM 44374 OH2 TIP3 6775 84.549 89.856 -6.122 1.00 0.00 WT3 O ATOM 44375 H1 TIP3 6775 83.756 90.041 -5.618 1.00 0.00 WT3 H ATOM 44376 H2 TIP3 6775 84.464 90.393 -6.909 1.00 0.00 WT3 H ATOM 44377 OH2 TIP3 6776 21.366 88.638 40.640 1.00 0.00 WT3 O ATOM 44378 H1 TIP3 6776 21.002 87.775 40.444 1.00 0.00 WT3 H ATOM 44379 H2 TIP3 6776 21.737 88.937 39.810 1.00 0.00 WT3 H ATOM 44380 OH2 TIP3 6778 28.995 71.259 50.732 1.00 0.00 WT3 O ATOM 44381 H1 TIP3 6778 28.824 72.200 50.717 1.00 0.00 WT3 H ATOM 44382 H2 TIP3 6778 29.768 71.146 50.178 1.00 0.00 WT3 H ATOM 44383 OH2 TIP3 6779 63.866 17.154 -19.520 1.00 0.00 WT3 O ATOM 44384 H1 TIP3 6779 63.967 18.091 -19.354 1.00 0.00 WT3 H ATOM 44385 H2 TIP3 6779 63.229 17.103 -20.232 1.00 0.00 WT3 H ATOM 44386 OH2 TIP3 6780 49.437 72.417 52.717 1.00 0.00 WT3 O ATOM 44387 H1 TIP3 6780 48.864 71.775 53.135 1.00 0.00 WT3 H ATOM 44388 H2 TIP3 6780 49.145 72.442 51.806 1.00 0.00 WT3 H ATOM 44389 OH2 TIP3 6781 28.270 89.629 32.069 1.00 0.00 WT3 O ATOM 44390 H1 TIP3 6781 27.364 89.407 32.284 1.00 0.00 WT3 H ATOM 44391 H2 TIP3 6781 28.251 89.833 31.134 1.00 0.00 WT3 H ATOM 44392 OH2 TIP3 6782 53.878 54.274 56.704 1.00 0.00 WT3 O ATOM 44393 H1 TIP3 6782 53.234 54.938 56.459 1.00 0.00 WT3 H ATOM 44394 H2 TIP3 6782 53.704 54.101 57.629 1.00 0.00 WT3 H ATOM 44395 OH2 TIP3 6783 22.114 34.053 -2.812 1.00 0.00 WT3 O ATOM 44396 H1 TIP3 6783 21.908 34.392 -1.941 1.00 0.00 WT3 H ATOM 44397 H2 TIP3 6783 22.569 34.773 -3.248 1.00 0.00 WT3 H ATOM 44398 OH2 TIP3 6785 42.357 77.814 12.744 1.00 0.00 WT3 O ATOM 44399 H1 TIP3 6785 43.064 77.450 12.211 1.00 0.00 WT3 H ATOM 44400 H2 TIP3 6785 41.968 77.054 13.178 1.00 0.00 WT3 H ATOM 44401 OH2 TIP3 6786 46.805 95.269 11.767 1.00 0.00 WT3 O ATOM 44402 H1 TIP3 6786 46.715 96.215 11.657 1.00 0.00 WT3 H ATOM 44403 H2 TIP3 6786 46.228 95.056 12.501 1.00 0.00 WT3 H ATOM 44404 OH2 TIP3 6787 51.653 19.476 17.427 1.00 0.00 WT3 O ATOM 44405 H1 TIP3 6787 51.562 19.746 16.513 1.00 0.00 WT3 H ATOM 44406 H2 TIP3 6787 50.916 19.891 17.875 1.00 0.00 WT3 H ATOM 44407 OH2 TIP3 6788 24.694 91.989 21.278 1.00 0.00 WT3 O ATOM 44408 H1 TIP3 6788 25.197 92.126 20.475 1.00 0.00 WT3 H ATOM 44409 H2 TIP3 6788 24.946 91.114 21.572 1.00 0.00 WT3 H ATOM 44410 OH2 TIP3 6789 60.593 77.776 6.830 1.00 0.00 WT3 O ATOM 44411 H1 TIP3 6789 59.836 77.695 7.410 1.00 0.00 WT3 H ATOM 44412 H2 TIP3 6789 61.161 77.045 7.073 1.00 0.00 WT3 H ATOM 44413 OH2 TIP3 6791 71.708 95.167 -0.123 1.00 0.00 WT3 O ATOM 44414 H1 TIP3 6791 72.597 94.829 -0.014 1.00 0.00 WT3 H ATOM 44415 H2 TIP3 6791 71.228 94.828 0.632 1.00 0.00 WT3 H ATOM 44416 OH2 TIP3 6792 61.758 91.835 -8.592 1.00 0.00 WT3 O ATOM 44417 H1 TIP3 6792 62.064 92.673 -8.245 1.00 0.00 WT3 H ATOM 44418 H2 TIP3 6792 61.876 91.219 -7.869 1.00 0.00 WT3 H ATOM 44419 OH2 TIP3 6794 52.517 81.699 6.471 1.00 0.00 WT3 O ATOM 44420 H1 TIP3 6794 51.792 81.130 6.729 1.00 0.00 WT3 H ATOM 44421 H2 TIP3 6794 53.252 81.413 7.014 1.00 0.00 WT3 H ATOM 44422 OH2 TIP3 6795 75.173 44.916 41.048 1.00 0.00 WT3 O ATOM 44423 H1 TIP3 6795 75.864 45.306 40.511 1.00 0.00 WT3 H ATOM 44424 H2 TIP3 6795 74.533 44.591 40.416 1.00 0.00 WT3 H ATOM 44425 OH2 TIP3 6799 58.662 74.950 44.155 1.00 0.00 WT3 O ATOM 44426 H1 TIP3 6799 58.166 75.492 43.541 1.00 0.00 WT3 H ATOM 44427 H2 TIP3 6799 58.173 75.007 44.975 1.00 0.00 WT3 H ATOM 44428 OH2 TIP3 6800 31.940 45.125 17.847 1.00 0.00 WT3 O ATOM 44429 H1 TIP3 6800 32.331 44.308 17.536 1.00 0.00 WT3 H ATOM 44430 H2 TIP3 6800 32.434 45.813 17.402 1.00 0.00 WT3 H ATOM 44431 OH2 TIP3 6802 24.300 87.233 38.722 1.00 0.00 WT3 O ATOM 44432 H1 TIP3 6802 25.020 87.146 38.098 1.00 0.00 WT3 H ATOM 44433 H2 TIP3 6802 23.560 86.800 38.296 1.00 0.00 WT3 H ATOM 44434 OH2 TIP3 6803 66.648 19.955 22.523 1.00 0.00 WT3 O ATOM 44435 H1 TIP3 6803 67.132 20.020 21.700 1.00 0.00 WT3 H ATOM 44436 H2 TIP3 6803 65.972 20.630 22.458 1.00 0.00 WT3 H ATOM 44437 OH2 TIP3 6804 75.205 69.695 29.771 1.00 0.00 WT3 O ATOM 44438 H1 TIP3 6804 75.202 68.912 29.219 1.00 0.00 WT3 H ATOM 44439 H2 TIP3 6804 74.454 69.580 30.353 1.00 0.00 WT3 H ATOM 44440 OH2 TIP3 6806 65.882 62.768 15.538 1.00 0.00 WT3 O ATOM 44441 H1 TIP3 6806 65.148 63.249 15.157 1.00 0.00 WT3 H ATOM 44442 H2 TIP3 6806 65.514 61.917 15.777 1.00 0.00 WT3 H ATOM 44443 OH2 TIP3 6808 63.868 1.477 11.129 1.00 0.00 WT3 O ATOM 44444 H1 TIP3 6808 63.096 1.005 11.442 1.00 0.00 WT3 H ATOM 44445 H2 TIP3 6808 63.607 1.827 10.277 1.00 0.00 WT3 H ATOM 44446 OH2 TIP3 6813 44.749 29.049 -14.495 1.00 0.00 WT3 O ATOM 44447 H1 TIP3 6813 44.589 29.684 -13.797 1.00 0.00 WT3 H ATOM 44448 H2 TIP3 6813 44.297 28.256 -14.208 1.00 0.00 WT3 H ATOM 44449 OH2 TIP3 6814 76.215 86.633 16.115 1.00 0.00 WT3 O ATOM 44450 H1 TIP3 6814 76.058 87.050 16.963 1.00 0.00 WT3 H ATOM 44451 H2 TIP3 6814 76.888 85.976 16.292 1.00 0.00 WT3 H ATOM 44452 OH2 TIP3 6817 46.494 86.372 14.354 1.00 0.00 WT3 O ATOM 44453 H1 TIP3 6817 46.419 85.439 14.558 1.00 0.00 WT3 H ATOM 44454 H2 TIP3 6817 47.208 86.422 13.718 1.00 0.00 WT3 H ATOM 44455 OH2 TIP3 6818 31.406 40.599 0.514 1.00 0.00 WT3 O ATOM 44456 H1 TIP3 6818 30.974 40.315 1.319 1.00 0.00 WT3 H ATOM 44457 H2 TIP3 6818 31.733 39.790 0.119 1.00 0.00 WT3 H ATOM 44458 OH2 TIP3 6819 32.494 45.304 12.589 1.00 0.00 WT3 O ATOM 44459 H1 TIP3 6819 31.781 44.934 12.068 1.00 0.00 WT3 H ATOM 44460 H2 TIP3 6819 32.891 44.549 13.024 1.00 0.00 WT3 H ATOM 44461 OH2 TIP3 6820 44.870 68.079 -8.402 1.00 0.00 WT3 O ATOM 44462 H1 TIP3 6820 44.507 67.564 -7.681 1.00 0.00 WT3 H ATOM 44463 H2 TIP3 6820 45.035 68.941 -8.021 1.00 0.00 WT3 H ATOM 44464 OH2 TIP3 6823 84.092 87.600 41.930 1.00 0.00 WT3 O ATOM 44465 H1 TIP3 6823 83.139 87.559 42.016 1.00 0.00 WT3 H ATOM 44466 H2 TIP3 6823 84.238 87.892 41.030 1.00 0.00 WT3 H ATOM 44467 OH2 TIP3 6824 55.434 19.049 38.577 1.00 0.00 WT3 O ATOM 44468 H1 TIP3 6824 55.420 19.794 39.178 1.00 0.00 WT3 H ATOM 44469 H2 TIP3 6824 56.182 19.218 38.003 1.00 0.00 WT3 H ATOM 44470 OH2 TIP3 6825 53.161 21.271 5.171 1.00 0.00 WT3 O ATOM 44471 H1 TIP3 6825 53.519 21.777 5.900 1.00 0.00 WT3 H ATOM 44472 H2 TIP3 6825 53.011 20.398 5.536 1.00 0.00 WT3 H ATOM 44473 OH2 TIP3 6826 58.637 12.966 62.398 1.00 0.00 WT3 O ATOM 44474 H1 TIP3 6826 58.322 12.349 61.738 1.00 0.00 WT3 H ATOM 44475 H2 TIP3 6826 58.976 12.413 63.102 1.00 0.00 WT3 H ATOM 44476 OH2 TIP3 6827 71.106 26.081 -2.881 1.00 0.00 WT3 O ATOM 44477 H1 TIP3 6827 71.959 25.671 -3.027 1.00 0.00 WT3 H ATOM 44478 H2 TIP3 6827 70.709 26.125 -3.751 1.00 0.00 WT3 H ATOM 44479 OH2 TIP3 6837 23.233 81.983 39.389 1.00 0.00 WT3 O ATOM 44480 H1 TIP3 6837 23.046 82.247 38.489 1.00 0.00 WT3 H ATOM 44481 H2 TIP3 6837 23.338 81.032 39.343 1.00 0.00 WT3 H ATOM 44482 OH2 TIP3 6838 66.464 78.562 15.693 1.00 0.00 WT3 O ATOM 44483 H1 TIP3 6838 66.738 78.603 16.610 1.00 0.00 WT3 H ATOM 44484 H2 TIP3 6838 67.177 78.101 15.250 1.00 0.00 WT3 H ATOM 44485 OH2 TIP3 6841 71.064 70.778 41.541 1.00 0.00 WT3 O ATOM 44486 H1 TIP3 6841 71.181 70.200 42.295 1.00 0.00 WT3 H ATOM 44487 H2 TIP3 6841 70.214 70.531 41.178 1.00 0.00 WT3 H ATOM 44488 OH2 TIP3 6842 57.826 93.870 -9.917 1.00 0.00 WT3 O ATOM 44489 H1 TIP3 6842 57.473 93.166 -9.374 1.00 0.00 WT3 H ATOM 44490 H2 TIP3 6842 57.352 93.796 -10.745 1.00 0.00 WT3 H ATOM 44491 OH2 TIP3 6843 25.016 2.445 -18.112 1.00 0.00 WT3 O ATOM 44492 H1 TIP3 6843 25.459 2.122 -17.327 1.00 0.00 WT3 H ATOM 44493 H2 TIP3 6843 24.085 2.320 -17.930 1.00 0.00 WT3 H ATOM 44494 OH2 TIP3 6845 39.854 65.326 60.350 1.00 0.00 WT3 O ATOM 44495 H1 TIP3 6845 40.023 66.268 60.319 1.00 0.00 WT3 H ATOM 44496 H2 TIP3 6845 40.600 64.964 60.828 1.00 0.00 WT3 H ATOM 44497 OH2 TIP3 6853 88.721 71.423 64.585 1.00 0.00 WT3 O ATOM 44498 H1 TIP3 6853 87.885 71.612 64.158 1.00 0.00 WT3 H ATOM 44499 H2 TIP3 6853 89.381 71.762 63.980 1.00 0.00 WT3 H ATOM 44500 OH2 TIP3 6855 47.170 85.907 5.975 1.00 0.00 WT3 O ATOM 44501 H1 TIP3 6855 46.836 85.152 5.491 1.00 0.00 WT3 H ATOM 44502 H2 TIP3 6855 47.913 85.565 6.471 1.00 0.00 WT3 H ATOM 44503 OH2 TIP3 6857 65.120 68.141 3.204 1.00 0.00 WT3 O ATOM 44504 H1 TIP3 6857 65.227 67.820 2.309 1.00 0.00 WT3 H ATOM 44505 H2 TIP3 6857 65.929 67.886 3.648 1.00 0.00 WT3 H ATOM 44506 OH2 TIP3 6860 52.188 25.037 -15.176 1.00 0.00 WT3 O ATOM 44507 H1 TIP3 6860 52.519 25.432 -14.370 1.00 0.00 WT3 H ATOM 44508 H2 TIP3 6860 52.969 24.893 -15.711 1.00 0.00 WT3 H ATOM 44509 OH2 TIP3 6863 22.006 25.258 34.678 1.00 0.00 WT3 O ATOM 44510 H1 TIP3 6863 22.024 25.487 33.749 1.00 0.00 WT3 H ATOM 44511 H2 TIP3 6863 22.691 25.798 35.072 1.00 0.00 WT3 H ATOM 44512 OH2 TIP3 6864 64.283 93.144 -16.499 1.00 0.00 WT3 O ATOM 44513 H1 TIP3 6864 63.802 92.320 -16.429 1.00 0.00 WT3 H ATOM 44514 H2 TIP3 6864 64.924 92.990 -17.193 1.00 0.00 WT3 H ATOM 44515 OH2 TIP3 6865 60.770 84.507 31.942 1.00 0.00 WT3 O ATOM 44516 H1 TIP3 6865 60.724 83.552 31.901 1.00 0.00 WT3 H ATOM 44517 H2 TIP3 6865 59.857 84.792 31.909 1.00 0.00 WT3 H ATOM 44518 OH2 TIP3 6872 87.917 17.819 -13.292 1.00 0.00 WT3 O ATOM 44519 H1 TIP3 6872 88.286 16.937 -13.264 1.00 0.00 WT3 H ATOM 44520 H2 TIP3 6872 88.538 18.354 -12.797 1.00 0.00 WT3 H ATOM 44521 OH2 TIP3 6877 60.409 84.573 -2.207 1.00 0.00 WT3 O ATOM 44522 H1 TIP3 6877 59.479 84.584 -1.983 1.00 0.00 WT3 H ATOM 44523 H2 TIP3 6877 60.426 84.576 -3.164 1.00 0.00 WT3 H ATOM 44524 OH2 TIP3 6878 73.771 94.588 8.958 1.00 0.00 WT3 O ATOM 44525 H1 TIP3 6878 73.547 95.427 8.556 1.00 0.00 WT3 H ATOM 44526 H2 TIP3 6878 72.934 94.131 9.043 1.00 0.00 WT3 H ATOM 44527 OH2 TIP3 6881 60.592 16.607 16.217 1.00 0.00 WT3 O ATOM 44528 H1 TIP3 6881 60.233 17.466 16.439 1.00 0.00 WT3 H ATOM 44529 H2 TIP3 6881 61.324 16.489 16.821 1.00 0.00 WT3 H ATOM 44530 OH2 TIP3 6892 59.132 92.573 3.426 1.00 0.00 WT3 O ATOM 44531 H1 TIP3 6892 59.361 91.655 3.282 1.00 0.00 WT3 H ATOM 44532 H2 TIP3 6892 59.885 92.939 3.889 1.00 0.00 WT3 H ATOM 44533 OH2 TIP3 6895 87.031 12.156 47.765 1.00 0.00 WT3 O ATOM 44534 H1 TIP3 6895 86.266 12.244 48.335 1.00 0.00 WT3 H ATOM 44535 H2 TIP3 6895 87.495 11.390 48.102 1.00 0.00 WT3 H ATOM 44536 OH2 TIP3 6896 74.884 93.775 23.835 1.00 0.00 WT3 O ATOM 44537 H1 TIP3 6896 75.504 94.445 24.123 1.00 0.00 WT3 H ATOM 44538 H2 TIP3 6896 74.024 94.139 24.044 1.00 0.00 WT3 H ATOM 44539 OH2 TIP3 6909 53.745 10.999 34.332 1.00 0.00 WT3 O ATOM 44540 H1 TIP3 6909 54.596 10.757 34.695 1.00 0.00 WT3 H ATOM 44541 H2 TIP3 6909 53.694 10.525 33.502 1.00 0.00 WT3 H ATOM 44542 OH2 TIP3 6916 50.663 10.713 -13.906 1.00 0.00 WT3 O ATOM 44543 H1 TIP3 6916 50.110 11.402 -14.275 1.00 0.00 WT3 H ATOM 44544 H2 TIP3 6916 50.110 9.932 -13.911 1.00 0.00 WT3 H ATOM 44545 OH2 TIP3 6921 81.266 81.636 9.127 1.00 0.00 WT3 O ATOM 44546 H1 TIP3 6921 80.712 80.984 9.556 1.00 0.00 WT3 H ATOM 44547 H2 TIP3 6921 81.308 81.352 8.214 1.00 0.00 WT3 H ATOM 44548 OH2 TIP3 6952 42.773 95.685 31.539 1.00 0.00 WT3 O ATOM 44549 H1 TIP3 6952 43.668 95.353 31.607 1.00 0.00 WT3 H ATOM 44550 H2 TIP3 6952 42.873 96.579 31.213 1.00 0.00 WT3 H ATOM 44551 OH2 TIP3 6953 71.081 68.666 -11.787 1.00 0.00 WT3 O ATOM 44552 H1 TIP3 6953 70.703 67.831 -12.064 1.00 0.00 WT3 H ATOM 44553 H2 TIP3 6953 70.329 69.191 -11.512 1.00 0.00 WT3 H ATOM 44554 OH2 TIP3 6955 47.819 46.996 3.820 1.00 0.00 WT3 O ATOM 44555 H1 TIP3 6955 48.671 46.780 3.440 1.00 0.00 WT3 H ATOM 44556 H2 TIP3 6955 48.025 47.354 4.684 1.00 0.00 WT3 H ATOM 44557 OH2 TIP3 6967 62.688 3.301 30.362 1.00 0.00 WT3 O ATOM 44558 H1 TIP3 6967 62.796 4.247 30.464 1.00 0.00 WT3 H ATOM 44559 H2 TIP3 6967 63.446 2.924 30.809 1.00 0.00 WT3 H ATOM 44560 OH2 TIP3 6976 71.058 83.978 52.662 1.00 0.00 WT3 O ATOM 44561 H1 TIP3 6976 71.938 83.962 52.287 1.00 0.00 WT3 H ATOM 44562 H2 TIP3 6976 70.478 83.797 51.922 1.00 0.00 WT3 H ATOM 44563 OH2 TIP3 6979 43.072 21.544 36.191 1.00 0.00 WT3 O ATOM 44564 H1 TIP3 6979 43.382 22.017 35.419 1.00 0.00 WT3 H ATOM 44565 H2 TIP3 6979 42.249 21.975 36.422 1.00 0.00 WT3 H ATOM 44566 OH2 TIP3 6988 28.447 39.688 7.245 1.00 0.00 WT3 O ATOM 44567 H1 TIP3 6988 27.837 39.981 6.568 1.00 0.00 WT3 H ATOM 44568 H2 TIP3 6988 28.976 40.461 7.443 1.00 0.00 WT3 H ATOM 44569 OH2 TIP3 6994 63.860 55.947 36.773 1.00 0.00 WT3 O ATOM 44570 H1 TIP3 6994 63.776 55.317 36.058 1.00 0.00 WT3 H ATOM 44571 H2 TIP3 6994 63.385 55.548 37.502 1.00 0.00 WT3 H ATOM 44572 OH2 TIP3 7003 59.362 69.046 25.016 1.00 0.00 WT3 O ATOM 44573 H1 TIP3 7003 59.118 69.658 24.322 1.00 0.00 WT3 H ATOM 44574 H2 TIP3 7003 58.528 68.713 25.346 1.00 0.00 WT3 H ATOM 44575 OH2 TIP3 7012 29.871 56.402 53.911 1.00 0.00 WT3 O ATOM 44576 H1 TIP3 7012 30.451 57.099 53.605 1.00 0.00 WT3 H ATOM 44577 H2 TIP3 7012 29.136 56.863 54.317 1.00 0.00 WT3 H ATOM 44578 OH2 TIP3 7016 61.557 45.680 10.951 1.00 0.00 WT3 O ATOM 44579 H1 TIP3 7016 60.888 45.067 11.257 1.00 0.00 WT3 H ATOM 44580 H2 TIP3 7016 61.369 46.494 11.418 1.00 0.00 WT3 H ATOM 44581 OH2 TIP3 7017 36.747 83.864 -5.244 1.00 0.00 WT3 O ATOM 44582 H1 TIP3 7017 37.399 84.133 -5.891 1.00 0.00 WT3 H ATOM 44583 H2 TIP3 7017 36.042 83.475 -5.761 1.00 0.00 WT3 H ATOM 44584 OH2 TIP3 7019 53.169 65.668 51.235 1.00 0.00 WT3 O ATOM 44585 H1 TIP3 7019 52.747 66.514 51.384 1.00 0.00 WT3 H ATOM 44586 H2 TIP3 7019 52.857 65.393 50.373 1.00 0.00 WT3 H ATOM 44587 OH2 TIP3 7020 22.207 71.731 -17.278 1.00 0.00 WT3 O ATOM 44588 H1 TIP3 7020 22.159 72.610 -17.655 1.00 0.00 WT3 H ATOM 44589 H2 TIP3 7020 21.853 71.831 -16.394 1.00 0.00 WT3 H ATOM 44590 OH2 TIP3 7021 58.737 77.246 15.413 1.00 0.00 WT3 O ATOM 44591 H1 TIP3 7021 59.560 76.963 15.811 1.00 0.00 WT3 H ATOM 44592 H2 TIP3 7021 58.160 77.424 16.156 1.00 0.00 WT3 H ATOM 44593 OH2 TIP3 7023 21.507 72.814 17.960 1.00 0.00 WT3 O ATOM 44594 H1 TIP3 7023 21.358 73.754 18.066 1.00 0.00 WT3 H ATOM 44595 H2 TIP3 7023 20.865 72.542 17.304 1.00 0.00 WT3 H ATOM 44596 OH2 TIP3 7027 43.619 23.418 -3.222 1.00 0.00 WT3 O ATOM 44597 H1 TIP3 7027 44.289 23.823 -3.772 1.00 0.00 WT3 H ATOM 44598 H2 TIP3 7027 44.099 22.794 -2.678 1.00 0.00 WT3 H ATOM 44599 OH2 TIP3 7029 54.234 83.300 13.826 1.00 0.00 WT3 O ATOM 44600 H1 TIP3 7029 54.985 82.722 13.690 1.00 0.00 WT3 H ATOM 44601 H2 TIP3 7029 53.477 82.774 13.568 1.00 0.00 WT3 H ATOM 44602 OH2 TIP3 7040 39.515 63.822 -17.676 1.00 0.00 WT3 O ATOM 44603 H1 TIP3 7040 39.444 63.065 -17.094 1.00 0.00 WT3 H ATOM 44604 H2 TIP3 7040 38.786 63.722 -18.289 1.00 0.00 WT3 H ATOM 44605 OH2 TIP3 7041 28.094 71.798 5.442 1.00 0.00 WT3 O ATOM 44606 H1 TIP3 7041 28.967 71.417 5.359 1.00 0.00 WT3 H ATOM 44607 H2 TIP3 7041 28.022 72.398 4.699 1.00 0.00 WT3 H ATOM 44608 OH2 TIP3 7042 47.674 1.891 24.123 1.00 0.00 WT3 O ATOM 44609 H1 TIP3 7042 48.194 2.444 23.540 1.00 0.00 WT3 H ATOM 44610 H2 TIP3 7042 46.910 2.425 24.341 1.00 0.00 WT3 H ATOM 44611 OH2 TIP3 7043 22.776 28.926 39.207 1.00 0.00 WT3 O ATOM 44612 H1 TIP3 7043 22.190 28.928 39.963 1.00 0.00 WT3 H ATOM 44613 H2 TIP3 7043 22.751 29.825 38.881 1.00 0.00 WT3 H ATOM 44614 OH2 TIP3 7048 63.387 87.244 39.790 1.00 0.00 WT3 O ATOM 44615 H1 TIP3 7048 63.277 86.786 40.623 1.00 0.00 WT3 H ATOM 44616 H2 TIP3 7048 63.097 86.614 39.130 1.00 0.00 WT3 H ATOM 44617 OH2 TIP3 7050 72.075 58.622 26.712 1.00 0.00 WT3 O ATOM 44618 H1 TIP3 7050 72.422 58.225 27.510 1.00 0.00 WT3 H ATOM 44619 H2 TIP3 7050 71.162 58.335 26.678 1.00 0.00 WT3 H ATOM 44620 OH2 TIP3 7051 88.663 70.096 51.039 1.00 0.00 WT3 O ATOM 44621 H1 TIP3 7051 89.575 69.958 51.296 1.00 0.00 WT3 H ATOM 44622 H2 TIP3 7051 88.688 70.143 50.083 1.00 0.00 WT3 H ATOM 44623 OH2 TIP3 7052 21.367 20.429 58.999 1.00 0.00 WT3 O ATOM 44624 H1 TIP3 7052 21.920 20.927 58.398 1.00 0.00 WT3 H ATOM 44625 H2 TIP3 7052 21.845 20.438 59.828 1.00 0.00 WT3 H ATOM 44626 OH2 TIP3 7053 57.692 57.981 19.430 1.00 0.00 WT3 O ATOM 44627 H1 TIP3 7053 57.581 57.163 18.945 1.00 0.00 WT3 H ATOM 44628 H2 TIP3 7053 57.326 58.653 18.853 1.00 0.00 WT3 H ATOM 44629 OH2 TIP3 7054 49.631 59.602 4.581 1.00 0.00 WT3 O ATOM 44630 H1 TIP3 7054 50.241 59.024 4.122 1.00 0.00 WT3 H ATOM 44631 H2 TIP3 7054 50.188 60.137 5.146 1.00 0.00 WT3 H ATOM 44632 OH2 TIP3 7056 47.386 74.466 4.565 1.00 0.00 WT3 O ATOM 44633 H1 TIP3 7056 47.608 73.979 3.771 1.00 0.00 WT3 H ATOM 44634 H2 TIP3 7056 47.542 73.847 5.278 1.00 0.00 WT3 H ATOM 44635 OH2 TIP3 7058 84.418 77.679 -0.495 1.00 0.00 WT3 O ATOM 44636 H1 TIP3 7058 84.389 78.327 -1.199 1.00 0.00 WT3 H ATOM 44637 H2 TIP3 7058 83.654 77.878 0.046 1.00 0.00 WT3 H ATOM 44638 OH2 TIP3 7059 87.495 24.639 3.643 1.00 0.00 WT3 O ATOM 44639 H1 TIP3 7059 87.673 24.702 2.705 1.00 0.00 WT3 H ATOM 44640 H2 TIP3 7059 88.231 24.138 3.994 1.00 0.00 WT3 H ATOM 44641 OH2 TIP3 7060 53.109 86.241 39.264 1.00 0.00 WT3 O ATOM 44642 H1 TIP3 7060 53.591 86.707 38.581 1.00 0.00 WT3 H ATOM 44643 H2 TIP3 7060 53.692 86.256 40.023 1.00 0.00 WT3 H ATOM 44644 OH2 TIP3 7062 31.893 17.769 52.529 1.00 0.00 WT3 O ATOM 44645 H1 TIP3 7062 32.356 17.003 52.868 1.00 0.00 WT3 H ATOM 44646 H2 TIP3 7062 31.928 18.405 53.244 1.00 0.00 WT3 H ATOM 44647 OH2 TIP3 7063 25.021 85.450 58.113 1.00 0.00 WT3 O ATOM 44648 H1 TIP3 7063 25.302 85.517 59.026 1.00 0.00 WT3 H ATOM 44649 H2 TIP3 7063 24.247 86.010 58.058 1.00 0.00 WT3 H ATOM 44650 OH2 TIP3 7065 82.303 21.108 -4.163 1.00 0.00 WT3 O ATOM 44651 H1 TIP3 7065 82.827 21.386 -3.412 1.00 0.00 WT3 H ATOM 44652 H2 TIP3 7065 82.935 21.025 -4.878 1.00 0.00 WT3 H ATOM 44653 OH2 TIP3 7069 62.858 48.587 60.454 1.00 0.00 WT3 O ATOM 44654 H1 TIP3 7069 62.158 47.935 60.422 1.00 0.00 WT3 H ATOM 44655 H2 TIP3 7069 62.825 49.017 59.600 1.00 0.00 WT3 H ATOM 44656 OH2 TIP3 7071 30.136 66.908 29.467 1.00 0.00 WT3 O ATOM 44657 H1 TIP3 7071 29.973 67.608 28.835 1.00 0.00 WT3 H ATOM 44658 H2 TIP3 7071 30.558 66.217 28.956 1.00 0.00 WT3 H ATOM 44659 OH2 TIP3 7073 51.429 95.918 27.244 1.00 0.00 WT3 O ATOM 44660 H1 TIP3 7073 51.362 95.876 26.290 1.00 0.00 WT3 H ATOM 44661 H2 TIP3 7073 51.337 96.848 27.450 1.00 0.00 WT3 H ATOM 44662 OH2 TIP3 7074 66.071 59.373 38.807 1.00 0.00 WT3 O ATOM 44663 H1 TIP3 7074 65.685 58.648 39.299 1.00 0.00 WT3 H ATOM 44664 H2 TIP3 7074 66.013 59.100 37.891 1.00 0.00 WT3 H ATOM 44665 OH2 TIP3 7075 22.712 65.152 61.838 1.00 0.00 WT3 O ATOM 44666 H1 TIP3 7075 23.336 64.449 62.019 1.00 0.00 WT3 H ATOM 44667 H2 TIP3 7075 21.934 64.703 61.506 1.00 0.00 WT3 H ATOM 44668 OH2 TIP3 7076 88.336 13.220 -15.736 1.00 0.00 WT3 O ATOM 44669 H1 TIP3 7076 88.969 13.006 -16.422 1.00 0.00 WT3 H ATOM 44670 H2 TIP3 7076 87.877 12.397 -15.567 1.00 0.00 WT3 H ATOM 44671 OH2 TIP3 7077 62.405 27.420 64.942 1.00 0.00 WT3 O ATOM 44672 H1 TIP3 7077 62.553 27.783 64.069 1.00 0.00 WT3 H ATOM 44673 H2 TIP3 7077 62.460 28.174 65.529 1.00 0.00 WT3 H ATOM 44674 OH2 TIP3 7078 50.462 35.347 51.318 1.00 0.00 WT3 O ATOM 44675 H1 TIP3 7078 49.907 36.119 51.431 1.00 0.00 WT3 H ATOM 44676 H2 TIP3 7078 49.989 34.800 50.691 1.00 0.00 WT3 H ATOM 44677 OH2 TIP3 7079 88.559 33.958 19.814 1.00 0.00 WT3 O ATOM 44678 H1 TIP3 7079 88.494 33.029 19.592 1.00 0.00 WT3 H ATOM 44679 H2 TIP3 7079 89.337 34.019 20.367 1.00 0.00 WT3 H ATOM 44680 OH2 TIP3 7081 82.446 81.569 66.214 1.00 0.00 WT3 O ATOM 44681 H1 TIP3 7081 81.820 82.263 66.009 1.00 0.00 WT3 H ATOM 44682 H2 TIP3 7081 82.279 81.358 67.132 1.00 0.00 WT3 H ATOM 44683 OH2 TIP3 7082 29.426 21.691 41.773 1.00 0.00 WT3 O ATOM 44684 H1 TIP3 7082 29.777 22.410 42.298 1.00 0.00 WT3 H ATOM 44685 H2 TIP3 7082 28.807 22.110 41.175 1.00 0.00 WT3 H ATOM 44686 OH2 TIP3 7086 24.100 95.639 32.167 1.00 0.00 WT3 O ATOM 44687 H1 TIP3 7086 24.681 95.581 32.925 1.00 0.00 WT3 H ATOM 44688 H2 TIP3 7086 23.952 96.577 32.049 1.00 0.00 WT3 H ATOM 44689 OH2 TIP3 7088 58.823 87.498 26.911 1.00 0.00 WT3 O ATOM 44690 H1 TIP3 7088 58.894 87.978 27.736 1.00 0.00 WT3 H ATOM 44691 H2 TIP3 7088 59.728 87.376 26.625 1.00 0.00 WT3 H ATOM 44692 OH2 TIP3 7089 83.419 56.027 55.978 1.00 0.00 WT3 O ATOM 44693 H1 TIP3 7089 82.503 55.801 55.813 1.00 0.00 WT3 H ATOM 44694 H2 TIP3 7089 83.828 55.200 56.232 1.00 0.00 WT3 H ATOM 44695 OH2 TIP3 7090 43.509 93.451 8.039 1.00 0.00 WT3 O ATOM 44696 H1 TIP3 7090 43.015 93.428 7.219 1.00 0.00 WT3 H ATOM 44697 H2 TIP3 7090 43.323 92.608 8.454 1.00 0.00 WT3 H ATOM 44698 OH2 TIP3 7091 60.822 22.532 -4.923 1.00 0.00 WT3 O ATOM 44699 H1 TIP3 7091 61.483 22.688 -4.249 1.00 0.00 WT3 H ATOM 44700 H2 TIP3 7091 61.304 22.580 -5.748 1.00 0.00 WT3 H ATOM 44701 OH2 TIP3 7092 74.639 54.994 13.198 1.00 0.00 WT3 O ATOM 44702 H1 TIP3 7092 73.812 54.535 13.050 1.00 0.00 WT3 H ATOM 44703 H2 TIP3 7092 74.955 54.655 14.036 1.00 0.00 WT3 H ATOM 44704 OH2 TIP3 7095 74.875 4.552 40.184 1.00 0.00 WT3 O ATOM 44705 H1 TIP3 7095 75.705 4.109 40.010 1.00 0.00 WT3 H ATOM 44706 H2 TIP3 7095 74.719 4.411 41.118 1.00 0.00 WT3 H ATOM 44707 OH2 TIP3 7096 68.386 39.080 -13.525 1.00 0.00 WT3 O ATOM 44708 H1 TIP3 7096 68.527 40.026 -13.570 1.00 0.00 WT3 H ATOM 44709 H2 TIP3 7096 67.980 38.858 -14.363 1.00 0.00 WT3 H ATOM 44710 OH2 TIP3 7097 36.746 37.194 1.180 1.00 0.00 WT3 O ATOM 44711 H1 TIP3 7097 36.546 37.229 0.245 1.00 0.00 WT3 H ATOM 44712 H2 TIP3 7097 37.383 37.896 1.316 1.00 0.00 WT3 H ATOM 44713 OH2 TIP3 7098 78.963 12.194 59.685 1.00 0.00 WT3 O ATOM 44714 H1 TIP3 7098 79.724 12.345 60.245 1.00 0.00 WT3 H ATOM 44715 H2 TIP3 7098 78.897 11.241 59.621 1.00 0.00 WT3 H ATOM 44716 OH2 TIP3 7099 88.885 75.976 31.317 1.00 0.00 WT3 O ATOM 44717 H1 TIP3 7099 88.362 76.739 31.564 1.00 0.00 WT3 H ATOM 44718 H2 TIP3 7099 88.420 75.233 31.700 1.00 0.00 WT3 H ATOM 44719 OH2 TIP3 7101 72.159 63.969 41.715 1.00 0.00 WT3 O ATOM 44720 H1 TIP3 7101 71.720 64.785 41.478 1.00 0.00 WT3 H ATOM 44721 H2 TIP3 7101 71.447 63.346 41.860 1.00 0.00 WT3 H ATOM 44722 OH2 TIP3 7102 25.760 9.586 67.092 1.00 0.00 WT3 O ATOM 44723 H1 TIP3 7102 25.777 8.632 67.012 1.00 0.00 WT3 H ATOM 44724 H2 TIP3 7102 26.191 9.902 66.298 1.00 0.00 WT3 H ATOM 44725 OH2 TIP3 7103 62.204 75.579 -4.320 1.00 0.00 WT3 O ATOM 44726 H1 TIP3 7103 61.847 75.330 -3.468 1.00 0.00 WT3 H ATOM 44727 H2 TIP3 7103 61.869 74.916 -4.924 1.00 0.00 WT3 H ATOM 44728 OH2 TIP3 7104 79.022 2.307 54.521 1.00 0.00 WT3 O ATOM 44729 H1 TIP3 7104 79.100 2.052 55.440 1.00 0.00 WT3 H ATOM 44730 H2 TIP3 7104 79.869 2.700 54.308 1.00 0.00 WT3 H ATOM 44731 OH2 TIP3 7106 38.306 83.980 15.630 1.00 0.00 WT3 O ATOM 44732 H1 TIP3 7106 37.368 83.996 15.438 1.00 0.00 WT3 H ATOM 44733 H2 TIP3 7106 38.478 83.082 15.914 1.00 0.00 WT3 H ATOM 44734 OH2 TIP3 7111 29.131 89.659 -5.920 1.00 0.00 WT3 O ATOM 44735 H1 TIP3 7111 30.001 89.802 -5.547 1.00 0.00 WT3 H ATOM 44736 H2 TIP3 7111 28.679 89.117 -5.274 1.00 0.00 WT3 H ATOM 44737 OH2 TIP3 7113 72.164 79.608 35.080 1.00 0.00 WT3 O ATOM 44738 H1 TIP3 7113 71.536 78.915 34.871 1.00 0.00 WT3 H ATOM 44739 H2 TIP3 7113 71.700 80.174 35.696 1.00 0.00 WT3 H ATOM 44740 OH2 TIP3 7114 65.891 13.692 -14.465 1.00 0.00 WT3 O ATOM 44741 H1 TIP3 7114 65.615 14.592 -14.288 1.00 0.00 WT3 H ATOM 44742 H2 TIP3 7114 66.158 13.351 -13.612 1.00 0.00 WT3 H ATOM 44743 OH2 TIP3 7115 35.794 85.975 18.326 1.00 0.00 WT3 O ATOM 44744 H1 TIP3 7115 35.758 85.348 19.049 1.00 0.00 WT3 H ATOM 44745 H2 TIP3 7115 36.311 86.705 18.667 1.00 0.00 WT3 H ATOM 44746 OH2 TIP3 7117 71.162 78.760 4.278 1.00 0.00 WT3 O ATOM 44747 H1 TIP3 7117 70.619 79.525 4.084 1.00 0.00 WT3 H ATOM 44748 H2 TIP3 7117 70.845 78.450 5.126 1.00 0.00 WT3 H ATOM 44749 OH2 TIP3 7118 65.277 70.750 56.690 1.00 0.00 WT3 O ATOM 44750 H1 TIP3 7118 64.806 69.927 56.561 1.00 0.00 WT3 H ATOM 44751 H2 TIP3 7118 64.617 71.354 57.032 1.00 0.00 WT3 H ATOM 44752 OH2 TIP3 7119 66.842 66.872 -5.934 1.00 0.00 WT3 O ATOM 44753 H1 TIP3 7119 66.460 67.750 -5.916 1.00 0.00 WT3 H ATOM 44754 H2 TIP3 7119 66.516 66.453 -5.137 1.00 0.00 WT3 H ATOM 44755 OH2 TIP3 7120 84.502 24.092 8.403 1.00 0.00 WT3 O ATOM 44756 H1 TIP3 7120 83.899 24.684 8.854 1.00 0.00 WT3 H ATOM 44757 H2 TIP3 7120 85.373 24.432 8.612 1.00 0.00 WT3 H ATOM 44758 OH2 TIP3 7121 30.241 66.718 -18.680 1.00 0.00 WT3 O ATOM 44759 H1 TIP3 7121 30.691 66.355 -19.444 1.00 0.00 WT3 H ATOM 44760 H2 TIP3 7121 29.311 66.585 -18.865 1.00 0.00 WT3 H ATOM 44761 OH2 TIP3 7122 28.940 56.312 5.591 1.00 0.00 WT3 O ATOM 44762 H1 TIP3 7122 29.631 56.804 5.147 1.00 0.00 WT3 H ATOM 44763 H2 TIP3 7122 29.395 55.574 5.998 1.00 0.00 WT3 H ATOM 44764 OH2 TIP3 7123 24.611 82.122 23.541 1.00 0.00 WT3 O ATOM 44765 H1 TIP3 7123 23.870 81.517 23.511 1.00 0.00 WT3 H ATOM 44766 H2 TIP3 7123 24.345 82.796 24.167 1.00 0.00 WT3 H ATOM 44767 OH2 TIP3 7126 47.953 65.775 -8.731 1.00 0.00 WT3 O ATOM 44768 H1 TIP3 7126 48.209 66.074 -7.859 1.00 0.00 WT3 H ATOM 44769 H2 TIP3 7126 47.468 64.965 -8.574 1.00 0.00 WT3 H ATOM 44770 OH2 TIP3 7127 72.721 77.623 43.116 1.00 0.00 WT3 O ATOM 44771 H1 TIP3 7127 73.017 77.072 42.392 1.00 0.00 WT3 H ATOM 44772 H2 TIP3 7127 72.227 78.327 42.696 1.00 0.00 WT3 H ATOM 44773 OH2 TIP3 7128 31.846 34.523 52.230 1.00 0.00 WT3 O ATOM 44774 H1 TIP3 7128 32.421 34.878 51.553 1.00 0.00 WT3 H ATOM 44775 H2 TIP3 7128 31.875 33.576 52.097 1.00 0.00 WT3 H ATOM 44776 OH2 TIP3 7129 62.242 85.114 38.476 1.00 0.00 WT3 O ATOM 44777 H1 TIP3 7129 61.699 85.268 37.703 1.00 0.00 WT3 H ATOM 44778 H2 TIP3 7129 62.491 84.192 38.414 1.00 0.00 WT3 H ATOM 44779 OH2 TIP3 7131 59.097 20.621 49.135 1.00 0.00 WT3 O ATOM 44780 H1 TIP3 7131 58.550 20.047 48.598 1.00 0.00 WT3 H ATOM 44781 H2 TIP3 7131 58.611 21.445 49.177 1.00 0.00 WT3 H ATOM 44782 OH2 TIP3 7133 42.992 73.312 -4.438 1.00 0.00 WT3 O ATOM 44783 H1 TIP3 7133 43.579 72.747 -4.942 1.00 0.00 WT3 H ATOM 44784 H2 TIP3 7133 43.091 73.014 -3.534 1.00 0.00 WT3 H ATOM 44785 OH2 TIP3 7134 26.479 70.363 2.656 1.00 0.00 WT3 O ATOM 44786 H1 TIP3 7134 25.849 71.056 2.459 1.00 0.00 WT3 H ATOM 44787 H2 TIP3 7134 25.941 69.614 2.913 1.00 0.00 WT3 H ATOM 44788 OH2 TIP3 7135 20.882 53.224 36.094 1.00 0.00 WT3 O ATOM 44789 H1 TIP3 7135 20.014 52.955 36.394 1.00 0.00 WT3 H ATOM 44790 H2 TIP3 7135 21.166 52.516 35.515 1.00 0.00 WT3 H ATOM 44791 OH2 TIP3 7136 64.742 81.187 49.309 1.00 0.00 WT3 O ATOM 44792 H1 TIP3 7136 64.415 81.558 50.129 1.00 0.00 WT3 H ATOM 44793 H2 TIP3 7136 65.515 81.711 49.100 1.00 0.00 WT3 H ATOM 44794 OH2 TIP3 7137 44.451 24.295 44.094 1.00 0.00 WT3 O ATOM 44795 H1 TIP3 7137 45.405 24.260 44.020 1.00 0.00 WT3 H ATOM 44796 H2 TIP3 7137 44.270 25.171 44.435 1.00 0.00 WT3 H ATOM 44797 OH2 TIP3 7139 26.502 55.579 9.886 1.00 0.00 WT3 O ATOM 44798 H1 TIP3 7139 26.580 56.430 9.453 1.00 0.00 WT3 H ATOM 44799 H2 TIP3 7139 27.357 55.168 9.763 1.00 0.00 WT3 H ATOM 44800 OH2 TIP3 7140 87.386 61.764 12.874 1.00 0.00 WT3 O ATOM 44801 H1 TIP3 7140 87.463 62.718 12.853 1.00 0.00 WT3 H ATOM 44802 H2 TIP3 7140 88.220 61.464 13.237 1.00 0.00 WT3 H ATOM 44803 OH2 TIP3 7141 62.028 91.919 -5.285 1.00 0.00 WT3 O ATOM 44804 H1 TIP3 7141 61.497 91.493 -4.611 1.00 0.00 WT3 H ATOM 44805 H2 TIP3 7141 62.395 92.689 -4.851 1.00 0.00 WT3 H ATOM 44806 OH2 TIP3 7142 73.168 32.391 25.449 1.00 0.00 WT3 O ATOM 44807 H1 TIP3 7142 72.869 33.276 25.239 1.00 0.00 WT3 H ATOM 44808 H2 TIP3 7142 73.492 32.044 24.618 1.00 0.00 WT3 H ATOM 44809 OH2 TIP3 7143 25.669 45.483 52.732 1.00 0.00 WT3 O ATOM 44810 H1 TIP3 7143 26.480 45.712 53.187 1.00 0.00 WT3 H ATOM 44811 H2 TIP3 7143 25.955 44.962 51.982 1.00 0.00 WT3 H ATOM 44812 OH2 TIP3 7144 43.561 13.018 30.007 1.00 0.00 WT3 O ATOM 44813 H1 TIP3 7144 43.959 13.272 29.174 1.00 0.00 WT3 H ATOM 44814 H2 TIP3 7144 44.060 13.499 30.667 1.00 0.00 WT3 H ATOM 44815 OH2 TIP3 7145 51.326 91.509 -15.643 1.00 0.00 WT3 O ATOM 44816 H1 TIP3 7145 51.087 90.582 -15.651 1.00 0.00 WT3 H ATOM 44817 H2 TIP3 7145 52.225 91.522 -15.314 1.00 0.00 WT3 H ATOM 44818 OH2 TIP3 7146 33.872 31.646 39.020 1.00 0.00 WT3 O ATOM 44819 H1 TIP3 7146 34.021 32.287 38.324 1.00 0.00 WT3 H ATOM 44820 H2 TIP3 7146 32.970 31.801 39.300 1.00 0.00 WT3 H ATOM 44821 OH2 TIP3 7147 74.403 81.450 8.725 1.00 0.00 WT3 O ATOM 44822 H1 TIP3 7147 73.570 81.922 8.712 1.00 0.00 WT3 H ATOM 44823 H2 TIP3 7147 75.067 82.136 8.793 1.00 0.00 WT3 H ATOM 44824 OH2 TIP3 7148 51.798 22.673 18.451 1.00 0.00 WT3 O ATOM 44825 H1 TIP3 7148 51.793 23.109 17.599 1.00 0.00 WT3 H ATOM 44826 H2 TIP3 7148 51.007 22.134 18.450 1.00 0.00 WT3 H ATOM 44827 OH2 TIP3 7150 66.275 14.766 58.161 1.00 0.00 WT3 O ATOM 44828 H1 TIP3 7150 67.121 15.205 58.257 1.00 0.00 WT3 H ATOM 44829 H2 TIP3 7150 66.486 13.833 58.184 1.00 0.00 WT3 H ATOM 44830 OH2 TIP3 7152 33.274 87.804 25.325 1.00 0.00 WT3 O ATOM 44831 H1 TIP3 7152 33.788 87.592 24.546 1.00 0.00 WT3 H ATOM 44832 H2 TIP3 7152 33.081 86.955 25.723 1.00 0.00 WT3 H ATOM 44833 OH2 TIP3 7153 32.413 55.363 18.250 1.00 0.00 WT3 O ATOM 44834 H1 TIP3 7153 32.551 54.568 18.765 1.00 0.00 WT3 H ATOM 44835 H2 TIP3 7153 33.222 55.466 17.747 1.00 0.00 WT3 H ATOM 44836 OH2 TIP3 7154 59.432 78.020 18.112 1.00 0.00 WT3 O ATOM 44837 H1 TIP3 7154 60.384 78.118 18.087 1.00 0.00 WT3 H ATOM 44838 H2 TIP3 7154 59.285 77.076 18.050 1.00 0.00 WT3 H ATOM 44839 OH2 TIP3 7155 78.963 55.885 59.277 1.00 0.00 WT3 O ATOM 44840 H1 TIP3 7155 79.022 56.838 59.216 1.00 0.00 WT3 H ATOM 44841 H2 TIP3 7155 79.624 55.645 59.927 1.00 0.00 WT3 H ATOM 44842 OH2 TIP3 7156 89.522 91.046 15.160 1.00 0.00 WT3 O ATOM 44843 H1 TIP3 7156 90.207 91.707 15.065 1.00 0.00 WT3 H ATOM 44844 H2 TIP3 7156 89.037 91.312 15.941 1.00 0.00 WT3 H ATOM 44845 OH2 TIP3 7157 31.503 68.618 20.084 1.00 0.00 WT3 O ATOM 44846 H1 TIP3 7157 32.418 68.428 20.291 1.00 0.00 WT3 H ATOM 44847 H2 TIP3 7157 31.323 69.445 20.532 1.00 0.00 WT3 H ATOM 44848 OH2 TIP3 7158 66.475 61.194 50.704 1.00 0.00 WT3 O ATOM 44849 H1 TIP3 7158 66.467 60.323 50.307 1.00 0.00 WT3 H ATOM 44850 H2 TIP3 7158 65.554 61.387 50.880 1.00 0.00 WT3 H ATOM 44851 OH2 TIP3 7159 44.399 0.898 17.855 1.00 0.00 WT3 O ATOM 44852 H1 TIP3 7159 44.891 0.270 18.384 1.00 0.00 WT3 H ATOM 44853 H2 TIP3 7159 43.921 0.359 17.225 1.00 0.00 WT3 H ATOM 44854 OH2 TIP3 7160 42.213 37.155 -14.241 1.00 0.00 WT3 O ATOM 44855 H1 TIP3 7160 43.080 37.261 -13.851 1.00 0.00 WT3 H ATOM 44856 H2 TIP3 7160 41.638 37.697 -13.700 1.00 0.00 WT3 H ATOM 44857 OH2 TIP3 7161 73.988 95.511 -5.302 1.00 0.00 WT3 O ATOM 44858 H1 TIP3 7161 74.650 96.146 -5.575 1.00 0.00 WT3 H ATOM 44859 H2 TIP3 7161 73.194 96.030 -5.176 1.00 0.00 WT3 H ATOM 44860 OH2 TIP3 7162 74.615 67.012 60.720 1.00 0.00 WT3 O ATOM 44861 H1 TIP3 7162 74.116 67.108 61.532 1.00 0.00 WT3 H ATOM 44862 H2 TIP3 7162 73.957 67.062 60.027 1.00 0.00 WT3 H ATOM 44863 OH2 TIP3 7163 76.201 60.768 29.725 1.00 0.00 WT3 O ATOM 44864 H1 TIP3 7163 75.904 61.636 29.451 1.00 0.00 WT3 H ATOM 44865 H2 TIP3 7163 76.190 60.247 28.922 1.00 0.00 WT3 H ATOM 44866 OH2 TIP3 7164 36.035 90.832 21.156 1.00 0.00 WT3 O ATOM 44867 H1 TIP3 7164 36.681 91.087 21.815 1.00 0.00 WT3 H ATOM 44868 H2 TIP3 7164 35.195 91.102 21.526 1.00 0.00 WT3 H ATOM 44869 OH2 TIP3 7165 72.294 19.373 55.485 1.00 0.00 WT3 O ATOM 44870 H1 TIP3 7165 71.782 19.585 56.266 1.00 0.00 WT3 H ATOM 44871 H2 TIP3 7165 73.062 19.942 55.540 1.00 0.00 WT3 H ATOM 44872 OH2 TIP3 7166 50.522 33.097 57.602 1.00 0.00 WT3 O ATOM 44873 H1 TIP3 7166 50.445 34.049 57.667 1.00 0.00 WT3 H ATOM 44874 H2 TIP3 7166 50.174 32.886 56.736 1.00 0.00 WT3 H ATOM 44875 OH2 TIP3 7167 89.778 77.526 47.619 1.00 0.00 WT3 O ATOM 44876 H1 TIP3 7167 89.669 78.304 48.166 1.00 0.00 WT3 H ATOM 44877 H2 TIP3 7167 90.387 76.972 48.109 1.00 0.00 WT3 H ATOM 44878 OH2 TIP3 7168 74.064 49.145 -14.157 1.00 0.00 WT3 O ATOM 44879 H1 TIP3 7168 73.336 48.571 -14.397 1.00 0.00 WT3 H ATOM 44880 H2 TIP3 7168 74.013 49.211 -13.203 1.00 0.00 WT3 H ATOM 44881 OH2 TIP3 7169 66.399 12.052 -4.923 1.00 0.00 WT3 O ATOM 44882 H1 TIP3 7169 67.153 12.601 -4.705 1.00 0.00 WT3 H ATOM 44883 H2 TIP3 7169 65.983 12.499 -5.660 1.00 0.00 WT3 H ATOM 44884 OH2 TIP3 7170 88.193 18.108 -9.626 1.00 0.00 WT3 O ATOM 44885 H1 TIP3 7170 87.866 17.863 -10.492 1.00 0.00 WT3 H ATOM 44886 H2 TIP3 7170 88.737 17.368 -9.356 1.00 0.00 WT3 H ATOM 44887 OH2 TIP3 7172 34.738 75.931 5.918 1.00 0.00 WT3 O ATOM 44888 H1 TIP3 7172 34.599 76.550 6.634 1.00 0.00 WT3 H ATOM 44889 H2 TIP3 7172 35.270 76.413 5.284 1.00 0.00 WT3 H ATOM 44890 OH2 TIP3 7173 79.321 70.703 4.285 1.00 0.00 WT3 O ATOM 44891 H1 TIP3 7173 78.573 70.554 3.706 1.00 0.00 WT3 H ATOM 44892 H2 TIP3 7173 79.615 69.825 4.528 1.00 0.00 WT3 H ATOM 44893 OH2 TIP3 7175 47.691 13.622 64.622 1.00 0.00 WT3 O ATOM 44894 H1 TIP3 7175 47.035 12.944 64.782 1.00 0.00 WT3 H ATOM 44895 H2 TIP3 7175 48.323 13.211 64.032 1.00 0.00 WT3 H ATOM 44896 OH2 TIP3 7177 73.870 49.122 41.140 1.00 0.00 WT3 O ATOM 44897 H1 TIP3 7177 74.097 49.415 40.258 1.00 0.00 WT3 H ATOM 44898 H2 TIP3 7177 72.915 49.053 41.132 1.00 0.00 WT3 H ATOM 44899 OH2 TIP3 7178 89.936 16.803 9.825 1.00 0.00 WT3 O ATOM 44900 H1 TIP3 7178 89.116 16.789 9.331 1.00 0.00 WT3 H ATOM 44901 H2 TIP3 7178 90.419 16.039 9.511 1.00 0.00 WT3 H ATOM 44902 OH2 TIP3 7180 42.456 83.309 46.326 1.00 0.00 WT3 O ATOM 44903 H1 TIP3 7180 41.942 83.802 46.966 1.00 0.00 WT3 H ATOM 44904 H2 TIP3 7180 43.144 83.916 46.052 1.00 0.00 WT3 H ATOM 44905 OH2 TIP3 7181 69.377 40.517 63.032 1.00 0.00 WT3 O ATOM 44906 H1 TIP3 7181 69.837 41.291 62.706 1.00 0.00 WT3 H ATOM 44907 H2 TIP3 7181 69.275 39.956 62.263 1.00 0.00 WT3 H ATOM 44908 OH2 TIP3 7182 56.045 76.507 -4.174 1.00 0.00 WT3 O ATOM 44909 H1 TIP3 7182 56.444 76.613 -5.037 1.00 0.00 WT3 H ATOM 44910 H2 TIP3 7182 55.200 76.092 -4.349 1.00 0.00 WT3 H ATOM 44911 OH2 TIP3 7183 82.373 52.254 -17.453 1.00 0.00 WT3 O ATOM 44912 H1 TIP3 7183 82.464 51.548 -18.093 1.00 0.00 WT3 H ATOM 44913 H2 TIP3 7183 81.428 52.374 -17.360 1.00 0.00 WT3 H ATOM 44914 OH2 TIP3 7184 49.562 76.175 17.008 1.00 0.00 WT3 O ATOM 44915 H1 TIP3 7184 49.878 75.279 17.122 1.00 0.00 WT3 H ATOM 44916 H2 TIP3 7184 49.305 76.452 17.888 1.00 0.00 WT3 H ATOM 44917 OH2 TIP3 7186 71.065 88.731 51.736 1.00 0.00 WT3 O ATOM 44918 H1 TIP3 7186 70.355 88.103 51.873 1.00 0.00 WT3 H ATOM 44919 H2 TIP3 7186 71.864 88.221 51.865 1.00 0.00 WT3 H ATOM 44920 OH2 TIP3 7187 41.827 28.184 13.180 1.00 0.00 WT3 O ATOM 44921 H1 TIP3 7187 41.772 27.493 13.839 1.00 0.00 WT3 H ATOM 44922 H2 TIP3 7187 42.763 28.269 12.998 1.00 0.00 WT3 H ATOM 44923 OH2 TIP3 7189 25.505 90.333 -5.969 1.00 0.00 WT3 O ATOM 44924 H1 TIP3 7189 25.492 90.145 -5.030 1.00 0.00 WT3 H ATOM 44925 H2 TIP3 7189 25.573 89.474 -6.385 1.00 0.00 WT3 H ATOM 44926 OH2 TIP3 7190 31.113 20.251 -17.400 1.00 0.00 WT3 O ATOM 44927 H1 TIP3 7190 30.593 19.569 -16.975 1.00 0.00 WT3 H ATOM 44928 H2 TIP3 7190 30.522 21.003 -17.455 1.00 0.00 WT3 H ATOM 44929 OH2 TIP3 7191 23.224 8.186 4.654 1.00 0.00 WT3 O ATOM 44930 H1 TIP3 7191 23.291 8.110 3.702 1.00 0.00 WT3 H ATOM 44931 H2 TIP3 7191 22.581 8.881 4.795 1.00 0.00 WT3 H ATOM 44932 OH2 TIP3 7192 58.182 7.382 16.340 1.00 0.00 WT3 O ATOM 44933 H1 TIP3 7192 57.946 6.511 16.660 1.00 0.00 WT3 H ATOM 44934 H2 TIP3 7192 58.981 7.242 15.831 1.00 0.00 WT3 H ATOM 44935 OH2 TIP3 7193 24.969 46.607 12.024 1.00 0.00 WT3 O ATOM 44936 H1 TIP3 7193 24.784 47.540 12.128 1.00 0.00 WT3 H ATOM 44937 H2 TIP3 7193 25.112 46.290 12.916 1.00 0.00 WT3 H ATOM 44938 OH2 TIP3 7194 30.660 25.019 10.744 1.00 0.00 WT3 O ATOM 44939 H1 TIP3 7194 31.127 25.681 10.235 1.00 0.00 WT3 H ATOM 44940 H2 TIP3 7194 31.339 24.402 11.017 1.00 0.00 WT3 H ATOM 44941 OH2 TIP3 7195 31.675 75.427 8.908 1.00 0.00 WT3 O ATOM 44942 H1 TIP3 7195 31.545 75.914 9.722 1.00 0.00 WT3 H ATOM 44943 H2 TIP3 7195 32.500 74.958 9.038 1.00 0.00 WT3 H ATOM 44944 OH2 TIP3 7196 45.050 36.804 46.590 1.00 0.00 WT3 O ATOM 44945 H1 TIP3 7196 45.926 37.169 46.463 1.00 0.00 WT3 H ATOM 44946 H2 TIP3 7196 44.483 37.343 46.039 1.00 0.00 WT3 H ATOM 44947 OH2 TIP3 7197 51.489 79.371 33.891 1.00 0.00 WT3 O ATOM 44948 H1 TIP3 7197 50.955 78.760 33.383 1.00 0.00 WT3 H ATOM 44949 H2 TIP3 7197 52.120 78.815 34.348 1.00 0.00 WT3 H ATOM 44950 OH2 TIP3 7198 47.405 28.324 -14.444 1.00 0.00 WT3 O ATOM 44951 H1 TIP3 7198 46.683 28.952 -14.432 1.00 0.00 WT3 H ATOM 44952 H2 TIP3 7198 47.236 27.750 -13.697 1.00 0.00 WT3 H ATOM 44953 OH2 TIP3 7199 65.617 91.877 43.950 1.00 0.00 WT3 O ATOM 44954 H1 TIP3 7199 65.656 90.968 43.652 1.00 0.00 WT3 H ATOM 44955 H2 TIP3 7199 66.449 92.258 43.668 1.00 0.00 WT3 H ATOM 44956 OH2 TIP3 7200 25.967 21.344 -0.265 1.00 0.00 WT3 O ATOM 44957 H1 TIP3 7200 26.603 21.966 -0.620 1.00 0.00 WT3 H ATOM 44958 H2 TIP3 7200 25.676 21.741 0.556 1.00 0.00 WT3 H ATOM 44959 OH2 TIP3 7201 47.995 72.382 41.429 1.00 0.00 WT3 O ATOM 44960 H1 TIP3 7201 48.076 73.331 41.531 1.00 0.00 WT3 H ATOM 44961 H2 TIP3 7201 47.172 72.261 40.955 1.00 0.00 WT3 H ATOM 44962 OH2 TIP3 7202 51.566 32.546 6.650 1.00 0.00 WT3 O ATOM 44963 H1 TIP3 7202 51.033 32.628 7.441 1.00 0.00 WT3 H ATOM 44964 H2 TIP3 7202 51.558 33.421 6.263 1.00 0.00 WT3 H ATOM 44965 OH2 TIP3 7203 89.801 71.290 -19.169 1.00 0.00 WT3 O ATOM 44966 H1 TIP3 7203 89.820 71.127 -18.226 1.00 0.00 WT3 H ATOM 44967 H2 TIP3 7203 89.971 70.435 -19.564 1.00 0.00 WT3 H ATOM 44968 OH2 TIP3 7204 89.154 65.616 3.040 1.00 0.00 WT3 O ATOM 44969 H1 TIP3 7204 89.016 66.119 3.842 1.00 0.00 WT3 H ATOM 44970 H2 TIP3 7204 90.056 65.811 2.787 1.00 0.00 WT3 H ATOM 44971 OH2 TIP3 7205 86.893 90.515 42.755 1.00 0.00 WT3 O ATOM 44972 H1 TIP3 7205 87.137 90.263 43.645 1.00 0.00 WT3 H ATOM 44973 H2 TIP3 7205 87.718 90.772 42.343 1.00 0.00 WT3 H ATOM 44974 OH2 TIP3 7206 32.835 61.234 61.530 1.00 0.00 WT3 O ATOM 44975 H1 TIP3 7206 33.398 60.641 62.028 1.00 0.00 WT3 H ATOM 44976 H2 TIP3 7206 33.118 61.128 60.622 1.00 0.00 WT3 H ATOM 44977 OH2 TIP3 7208 63.738 76.629 -7.023 1.00 0.00 WT3 O ATOM 44978 H1 TIP3 7208 63.056 76.421 -6.385 1.00 0.00 WT3 H ATOM 44979 H2 TIP3 7208 63.609 77.557 -7.219 1.00 0.00 WT3 H ATOM 44980 OH2 TIP3 7209 45.662 15.457 51.226 1.00 0.00 WT3 O ATOM 44981 H1 TIP3 7209 45.649 15.404 50.270 1.00 0.00 WT3 H ATOM 44982 H2 TIP3 7209 44.956 14.875 51.507 1.00 0.00 WT3 H ATOM 44983 OH2 TIP3 7210 51.636 87.096 27.310 1.00 0.00 WT3 O ATOM 44984 H1 TIP3 7210 51.443 87.313 28.222 1.00 0.00 WT3 H ATOM 44985 H2 TIP3 7210 50.879 86.587 27.019 1.00 0.00 WT3 H ATOM 44986 OH2 TIP3 7211 40.866 56.559 59.798 1.00 0.00 WT3 O ATOM 44987 H1 TIP3 7211 41.214 56.308 60.654 1.00 0.00 WT3 H ATOM 44988 H2 TIP3 7211 40.735 55.729 59.340 1.00 0.00 WT3 H ATOM 44989 OH2 TIP3 7213 27.351 66.241 3.592 1.00 0.00 WT3 O ATOM 44990 H1 TIP3 7213 27.442 66.704 4.425 1.00 0.00 WT3 H ATOM 44991 H2 TIP3 7213 28.166 65.748 3.501 1.00 0.00 WT3 H ATOM 44992 OH2 TIP3 7215 74.887 92.171 21.301 1.00 0.00 WT3 O ATOM 44993 H1 TIP3 7215 75.236 91.280 21.313 1.00 0.00 WT3 H ATOM 44994 H2 TIP3 7215 75.062 92.510 22.179 1.00 0.00 WT3 H ATOM 44995 OH2 TIP3 7216 60.405 85.805 22.381 1.00 0.00 WT3 O ATOM 44996 H1 TIP3 7216 59.675 85.233 22.619 1.00 0.00 WT3 H ATOM 44997 H2 TIP3 7216 60.857 85.973 23.208 1.00 0.00 WT3 H ATOM 44998 OH2 TIP3 7217 53.518 75.446 -4.690 1.00 0.00 WT3 O ATOM 44999 H1 TIP3 7217 52.721 75.145 -4.253 1.00 0.00 WT3 H ATOM 45000 H2 TIP3 7217 53.577 74.909 -5.480 1.00 0.00 WT3 H ATOM 45001 OH2 TIP3 7219 36.270 71.443 6.114 1.00 0.00 WT3 O ATOM 45002 H1 TIP3 7219 35.971 70.696 5.595 1.00 0.00 WT3 H ATOM 45003 H2 TIP3 7219 36.272 71.123 7.016 1.00 0.00 WT3 H ATOM 45004 OH2 TIP3 7222 81.975 5.559 -2.629 1.00 0.00 WT3 O ATOM 45005 H1 TIP3 7222 81.479 6.348 -2.848 1.00 0.00 WT3 H ATOM 45006 H2 TIP3 7222 81.584 5.250 -1.812 1.00 0.00 WT3 H ATOM 45007 OH2 TIP3 7223 78.726 47.397 7.483 1.00 0.00 WT3 O ATOM 45008 H1 TIP3 7223 78.351 46.980 8.258 1.00 0.00 WT3 H ATOM 45009 H2 TIP3 7223 78.114 48.103 7.271 1.00 0.00 WT3 H ATOM 45010 OH2 TIP3 7224 48.934 5.110 29.884 1.00 0.00 WT3 O ATOM 45011 H1 TIP3 7224 48.745 5.582 29.073 1.00 0.00 WT3 H ATOM 45012 H2 TIP3 7224 48.333 4.365 29.874 1.00 0.00 WT3 H ATOM 45013 OH2 TIP3 7227 86.313 61.879 24.760 1.00 0.00 WT3 O ATOM 45014 H1 TIP3 7227 86.096 61.106 24.239 1.00 0.00 WT3 H ATOM 45015 H2 TIP3 7227 86.162 61.608 25.666 1.00 0.00 WT3 H ATOM 45016 OH2 TIP3 7228 76.023 44.736 -1.542 1.00 0.00 WT3 O ATOM 45017 H1 TIP3 7228 76.817 44.503 -1.061 1.00 0.00 WT3 H ATOM 45018 H2 TIP3 7228 75.815 43.955 -2.055 1.00 0.00 WT3 H ATOM 45019 OH2 TIP3 7229 42.243 83.840 -5.247 1.00 0.00 WT3 O ATOM 45020 H1 TIP3 7229 41.665 84.360 -4.689 1.00 0.00 WT3 H ATOM 45021 H2 TIP3 7229 41.735 83.056 -5.456 1.00 0.00 WT3 H ATOM 45022 OH2 TIP3 7230 39.368 18.714 49.889 1.00 0.00 WT3 O ATOM 45023 H1 TIP3 7230 39.006 18.296 49.107 1.00 0.00 WT3 H ATOM 45024 H2 TIP3 7230 39.821 19.489 49.558 1.00 0.00 WT3 H ATOM 45025 OH2 TIP3 7231 71.194 0.891 25.713 1.00 0.00 WT3 O ATOM 45026 H1 TIP3 7231 71.369 -0.035 25.881 1.00 0.00 WT3 H ATOM 45027 H2 TIP3 7231 70.625 0.892 24.944 1.00 0.00 WT3 H ATOM 45028 OH2 TIP3 7232 42.038 62.921 2.468 1.00 0.00 WT3 O ATOM 45029 H1 TIP3 7232 42.209 62.769 3.397 1.00 0.00 WT3 H ATOM 45030 H2 TIP3 7232 41.134 63.234 2.438 1.00 0.00 WT3 H ATOM 45031 OH2 TIP3 7234 24.693 37.602 32.806 1.00 0.00 WT3 O ATOM 45032 H1 TIP3 7234 25.395 37.990 32.284 1.00 0.00 WT3 H ATOM 45033 H2 TIP3 7234 24.023 38.284 32.852 1.00 0.00 WT3 H ATOM 45034 OH2 TIP3 7235 22.251 78.001 -1.403 1.00 0.00 WT3 O ATOM 45035 H1 TIP3 7235 21.663 77.632 -0.743 1.00 0.00 WT3 H ATOM 45036 H2 TIP3 7235 22.265 77.350 -2.103 1.00 0.00 WT3 H ATOM 45037 OH2 TIP3 7238 56.187 28.805 21.901 1.00 0.00 WT3 O ATOM 45038 H1 TIP3 7238 56.190 29.743 21.712 1.00 0.00 WT3 H ATOM 45039 H2 TIP3 7238 55.366 28.657 22.370 1.00 0.00 WT3 H ATOM 45040 OH2 TIP3 7239 66.550 58.781 20.694 1.00 0.00 WT3 O ATOM 45041 H1 TIP3 7239 66.476 57.972 20.187 1.00 0.00 WT3 H ATOM 45042 H2 TIP3 7239 65.735 58.825 21.195 1.00 0.00 WT3 H ATOM 45043 OH2 TIP3 7240 40.266 61.062 11.221 1.00 0.00 WT3 O ATOM 45044 H1 TIP3 7240 40.960 61.716 11.294 1.00 0.00 WT3 H ATOM 45045 H2 TIP3 7240 40.452 60.435 11.920 1.00 0.00 WT3 H ATOM 45046 OH2 TIP3 7241 78.534 4.197 -17.660 1.00 0.00 WT3 O ATOM 45047 H1 TIP3 7241 78.147 4.421 -18.506 1.00 0.00 WT3 H ATOM 45048 H2 TIP3 7241 77.803 4.238 -17.043 1.00 0.00 WT3 H ATOM 45049 OH2 TIP3 7243 27.792 10.662 54.789 1.00 0.00 WT3 O ATOM 45050 H1 TIP3 7243 27.765 9.731 55.008 1.00 0.00 WT3 H ATOM 45051 H2 TIP3 7243 28.671 10.943 55.043 1.00 0.00 WT3 H ATOM 45052 OH2 TIP3 7244 89.308 94.865 21.511 1.00 0.00 WT3 O ATOM 45053 H1 TIP3 7244 88.468 94.471 21.745 1.00 0.00 WT3 H ATOM 45054 H2 TIP3 7244 89.373 94.747 20.564 1.00 0.00 WT3 H ATOM 45055 OH2 TIP3 7245 36.055 93.666 -18.739 1.00 0.00 WT3 O ATOM 45056 H1 TIP3 7245 35.313 93.954 -19.270 1.00 0.00 WT3 H ATOM 45057 H2 TIP3 7245 36.337 92.846 -19.144 1.00 0.00 WT3 H ATOM 45058 OH2 TIP3 7247 41.105 81.714 14.933 1.00 0.00 WT3 O ATOM 45059 H1 TIP3 7247 41.581 80.884 14.897 1.00 0.00 WT3 H ATOM 45060 H2 TIP3 7247 40.513 81.619 15.680 1.00 0.00 WT3 H ATOM 45061 OH2 TIP3 7248 37.415 76.529 50.010 1.00 0.00 WT3 O ATOM 45062 H1 TIP3 7248 38.153 76.335 50.589 1.00 0.00 WT3 H ATOM 45063 H2 TIP3 7248 37.821 76.796 49.186 1.00 0.00 WT3 H ATOM 45064 OH2 TIP3 7249 76.301 50.745 59.208 1.00 0.00 WT3 O ATOM 45065 H1 TIP3 7249 77.001 50.368 58.674 1.00 0.00 WT3 H ATOM 45066 H2 TIP3 7249 75.504 50.315 58.896 1.00 0.00 WT3 H ATOM 45067 OH2 TIP3 7250 68.228 75.922 -18.827 1.00 0.00 WT3 O ATOM 45068 H1 TIP3 7250 67.846 75.409 -18.115 1.00 0.00 WT3 H ATOM 45069 H2 TIP3 7250 68.209 76.825 -18.510 1.00 0.00 WT3 H ATOM 45070 OH2 TIP3 7252 21.426 20.310 41.588 1.00 0.00 WT3 O ATOM 45071 H1 TIP3 7252 20.802 19.612 41.785 1.00 0.00 WT3 H ATOM 45072 H2 TIP3 7252 21.628 20.699 42.440 1.00 0.00 WT3 H ATOM 45073 OH2 TIP3 7253 63.251 91.352 48.275 1.00 0.00 WT3 O ATOM 45074 H1 TIP3 7253 63.024 91.311 49.204 1.00 0.00 WT3 H ATOM 45075 H2 TIP3 7253 64.196 91.197 48.252 1.00 0.00 WT3 H ATOM 45076 OH2 TIP3 7254 85.548 31.829 25.851 1.00 0.00 WT3 O ATOM 45077 H1 TIP3 7254 84.709 31.411 26.042 1.00 0.00 WT3 H ATOM 45078 H2 TIP3 7254 85.355 32.767 25.855 1.00 0.00 WT3 H ATOM 45079 OH2 TIP3 7256 47.886 3.059 0.639 1.00 0.00 WT3 O ATOM 45080 H1 TIP3 7256 48.669 3.016 0.089 1.00 0.00 WT3 H ATOM 45081 H2 TIP3 7256 47.207 2.623 0.125 1.00 0.00 WT3 H ATOM 45082 OH2 TIP3 7257 64.001 62.526 41.412 1.00 0.00 WT3 O ATOM 45083 H1 TIP3 7257 64.525 62.361 40.628 1.00 0.00 WT3 H ATOM 45084 H2 TIP3 7257 63.744 61.656 41.715 1.00 0.00 WT3 H ATOM 45085 OH2 TIP3 7258 61.835 78.557 57.501 1.00 0.00 WT3 O ATOM 45086 H1 TIP3 7258 61.995 77.657 57.215 1.00 0.00 WT3 H ATOM 45087 H2 TIP3 7258 60.898 78.692 57.356 1.00 0.00 WT3 H ATOM 45088 OH2 TIP3 7259 80.319 63.371 39.493 1.00 0.00 WT3 O ATOM 45089 H1 TIP3 7259 80.589 64.156 39.970 1.00 0.00 WT3 H ATOM 45090 H2 TIP3 7259 79.505 63.623 39.057 1.00 0.00 WT3 H ATOM 45091 OH2 TIP3 7260 64.271 52.823 21.189 1.00 0.00 WT3 O ATOM 45092 H1 TIP3 7260 64.801 53.575 21.452 1.00 0.00 WT3 H ATOM 45093 H2 TIP3 7260 63.517 52.843 21.779 1.00 0.00 WT3 H ATOM 45094 OH2 TIP3 7262 25.636 84.851 -8.946 1.00 0.00 WT3 O ATOM 45095 H1 TIP3 7262 26.003 84.256 -9.600 1.00 0.00 WT3 H ATOM 45096 H2 TIP3 7262 25.392 85.632 -9.442 1.00 0.00 WT3 H ATOM 45097 OH2 TIP3 7264 36.402 1.794 -4.152 1.00 0.00 WT3 O ATOM 45098 H1 TIP3 7264 36.365 0.866 -3.917 1.00 0.00 WT3 H ATOM 45099 H2 TIP3 7264 35.845 1.867 -4.927 1.00 0.00 WT3 H ATOM 45100 OH2 TIP3 7266 45.166 11.557 52.611 1.00 0.00 WT3 O ATOM 45101 H1 TIP3 7266 44.734 10.741 52.360 1.00 0.00 WT3 H ATOM 45102 H2 TIP3 7266 44.452 12.133 52.885 1.00 0.00 WT3 H ATOM 45103 OH2 TIP3 7267 66.256 90.950 1.379 1.00 0.00 WT3 O ATOM 45104 H1 TIP3 7267 66.164 90.309 0.674 1.00 0.00 WT3 H ATOM 45105 H2 TIP3 7267 65.987 91.780 0.986 1.00 0.00 WT3 H ATOM 45106 OH2 TIP3 7270 77.881 92.660 13.826 1.00 0.00 WT3 O ATOM 45107 H1 TIP3 7270 77.954 91.728 13.620 1.00 0.00 WT3 H ATOM 45108 H2 TIP3 7270 78.433 92.778 14.599 1.00 0.00 WT3 H ATOM 45109 OH2 TIP3 7275 56.874 74.559 40.143 1.00 0.00 WT3 O ATOM 45110 H1 TIP3 7275 57.215 73.664 40.152 1.00 0.00 WT3 H ATOM 45111 H2 TIP3 7275 55.932 74.455 40.010 1.00 0.00 WT3 H ATOM 45112 OH2 TIP3 7280 67.801 60.626 45.896 1.00 0.00 WT3 O ATOM 45113 H1 TIP3 7280 66.886 60.895 45.810 1.00 0.00 WT3 H ATOM 45114 H2 TIP3 7280 67.757 59.692 46.103 1.00 0.00 WT3 H ATOM 45115 OH2 TIP3 7281 72.135 71.098 37.938 1.00 0.00 WT3 O ATOM 45116 H1 TIP3 7281 71.997 71.830 37.337 1.00 0.00 WT3 H ATOM 45117 H2 TIP3 7281 72.891 70.633 37.580 1.00 0.00 WT3 H ATOM 45118 OH2 TIP3 7282 75.728 13.675 -16.637 1.00 0.00 WT3 O ATOM 45119 H1 TIP3 7282 75.861 13.608 -15.692 1.00 0.00 WT3 H ATOM 45120 H2 TIP3 7282 74.960 13.131 -16.810 1.00 0.00 WT3 H ATOM 45121 OH2 TIP3 7283 26.341 14.631 53.289 1.00 0.00 WT3 O ATOM 45122 H1 TIP3 7283 26.221 13.702 53.090 1.00 0.00 WT3 H ATOM 45123 H2 TIP3 7283 25.751 15.083 52.686 1.00 0.00 WT3 H ATOM 45124 OH2 TIP3 7284 26.129 5.978 7.376 1.00 0.00 WT3 O ATOM 45125 H1 TIP3 7284 25.576 6.055 8.154 1.00 0.00 WT3 H ATOM 45126 H2 TIP3 7284 26.775 5.310 7.606 1.00 0.00 WT3 H ATOM 45127 OH2 TIP3 7286 50.699 84.900 57.024 1.00 0.00 WT3 O ATOM 45128 H1 TIP3 7286 51.324 85.622 56.968 1.00 0.00 WT3 H ATOM 45129 H2 TIP3 7286 51.223 84.115 56.863 1.00 0.00 WT3 H ATOM 45130 OH2 TIP3 7295 58.682 29.727 8.764 1.00 0.00 WT3 O ATOM 45131 H1 TIP3 7295 57.732 29.610 8.798 1.00 0.00 WT3 H ATOM 45132 H2 TIP3 7295 58.821 30.637 9.025 1.00 0.00 WT3 H ATOM 45133 OH2 TIP3 7299 39.426 80.520 32.145 1.00 0.00 WT3 O ATOM 45134 H1 TIP3 7299 38.666 80.549 31.563 1.00 0.00 WT3 H ATOM 45135 H2 TIP3 7299 40.173 80.399 31.558 1.00 0.00 WT3 H ATOM 45136 OH2 TIP3 7301 76.859 2.511 50.907 1.00 0.00 WT3 O ATOM 45137 H1 TIP3 7301 77.558 1.970 50.538 1.00 0.00 WT3 H ATOM 45138 H2 TIP3 7301 76.370 2.823 50.145 1.00 0.00 WT3 H ATOM 45139 OH2 TIP3 7302 56.097 0.351 -1.691 1.00 0.00 WT3 O ATOM 45140 H1 TIP3 7302 56.448 0.235 -0.808 1.00 0.00 WT3 H ATOM 45141 H2 TIP3 7302 56.159 1.293 -1.851 1.00 0.00 WT3 H ATOM 45142 OH2 TIP3 7305 21.484 84.246 15.770 1.00 0.00 WT3 O ATOM 45143 H1 TIP3 7305 21.891 84.285 16.636 1.00 0.00 WT3 H ATOM 45144 H2 TIP3 7305 22.180 83.933 15.192 1.00 0.00 WT3 H ATOM 45145 OH2 TIP3 7311 77.852 68.143 52.235 1.00 0.00 WT3 O ATOM 45146 H1 TIP3 7311 78.282 68.934 52.561 1.00 0.00 WT3 H ATOM 45147 H2 TIP3 7311 77.597 68.360 51.338 1.00 0.00 WT3 H ATOM 45148 OH2 TIP3 7312 54.139 74.321 4.954 1.00 0.00 WT3 O ATOM 45149 H1 TIP3 7312 54.034 75.107 5.490 1.00 0.00 WT3 H ATOM 45150 H2 TIP3 7312 53.641 73.647 5.417 1.00 0.00 WT3 H ATOM 45151 OH2 TIP3 7322 53.861 63.300 60.644 1.00 0.00 WT3 O ATOM 45152 H1 TIP3 7322 54.575 62.678 60.507 1.00 0.00 WT3 H ATOM 45153 H2 TIP3 7322 53.282 63.171 59.893 1.00 0.00 WT3 H ATOM 45154 OH2 TIP3 7340 73.699 87.196 28.194 1.00 0.00 WT3 O ATOM 45155 H1 TIP3 7340 73.562 87.703 28.994 1.00 0.00 WT3 H ATOM 45156 H2 TIP3 7340 73.110 86.446 28.281 1.00 0.00 WT3 H ATOM 45157 OH2 TIP3 7343 78.185 1.267 32.417 1.00 0.00 WT3 O ATOM 45158 H1 TIP3 7343 77.388 1.048 31.934 1.00 0.00 WT3 H ATOM 45159 H2 TIP3 7343 78.565 0.420 32.650 1.00 0.00 WT3 H ATOM 45160 OH2 TIP3 7366 86.044 43.860 52.159 1.00 0.00 WT3 O ATOM 45161 H1 TIP3 7366 85.522 43.600 52.918 1.00 0.00 WT3 H ATOM 45162 H2 TIP3 7366 86.689 44.474 52.511 1.00 0.00 WT3 H ATOM 45163 OH2 TIP3 7408 88.830 61.514 20.593 1.00 0.00 WT3 O ATOM 45164 H1 TIP3 7408 88.830 60.605 20.295 1.00 0.00 WT3 H ATOM 45165 H2 TIP3 7408 88.827 62.031 19.787 1.00 0.00 WT3 H ATOM 45166 OH2 TIP3 7412 71.464 42.213 49.226 1.00 0.00 WT3 O ATOM 45167 H1 TIP3 7412 71.409 43.069 48.801 1.00 0.00 WT3 H ATOM 45168 H2 TIP3 7412 72.233 42.275 49.793 1.00 0.00 WT3 H ATOM 45169 OH2 TIP3 7415 49.880 89.101 45.240 1.00 0.00 WT3 O ATOM 45170 H1 TIP3 7415 49.694 88.713 46.095 1.00 0.00 WT3 H ATOM 45171 H2 TIP3 7415 49.655 90.026 45.341 1.00 0.00 WT3 H ATOM 45172 OH2 TIP3 7418 49.502 18.660 0.846 1.00 0.00 WT3 O ATOM 45173 H1 TIP3 7418 49.843 18.941 1.695 1.00 0.00 WT3 H ATOM 45174 H2 TIP3 7418 48.963 19.392 0.549 1.00 0.00 WT3 H ATOM 45175 OH2 TIP3 7431 25.773 72.085 11.632 1.00 0.00 WT3 O ATOM 45176 H1 TIP3 7431 26.055 72.897 12.053 1.00 0.00 WT3 H ATOM 45177 H2 TIP3 7431 25.573 71.495 12.358 1.00 0.00 WT3 H ATOM 45178 OH2 TIP3 7435 49.594 92.687 12.905 1.00 0.00 WT3 O ATOM 45179 H1 TIP3 7435 49.587 93.643 12.854 1.00 0.00 WT3 H ATOM 45180 H2 TIP3 7435 50.457 92.471 13.259 1.00 0.00 WT3 H ATOM 45181 OH2 TIP3 7436 43.913 55.933 33.631 1.00 0.00 WT3 O ATOM 45182 H1 TIP3 7436 43.186 56.295 34.138 1.00 0.00 WT3 H ATOM 45183 H2 TIP3 7436 44.542 55.639 34.290 1.00 0.00 WT3 H ATOM 45184 OH2 TIP3 7437 69.192 37.461 0.186 1.00 0.00 WT3 O ATOM 45185 H1 TIP3 7437 69.940 37.863 0.629 1.00 0.00 WT3 H ATOM 45186 H2 TIP3 7437 68.504 37.438 0.851 1.00 0.00 WT3 H ATOM 45187 OH2 TIP3 7439 81.860 3.314 2.320 1.00 0.00 WT3 O ATOM 45188 H1 TIP3 7439 81.236 2.590 2.380 1.00 0.00 WT3 H ATOM 45189 H2 TIP3 7439 82.143 3.461 3.223 1.00 0.00 WT3 H ATOM 45190 OH2 TIP3 7451 86.856 67.162 44.707 1.00 0.00 WT3 O ATOM 45191 H1 TIP3 7451 86.213 67.330 45.396 1.00 0.00 WT3 H ATOM 45192 H2 TIP3 7451 87.437 67.922 44.730 1.00 0.00 WT3 H ATOM 45193 OH2 TIP3 7456 55.522 72.601 23.174 1.00 0.00 WT3 O ATOM 45194 H1 TIP3 7456 56.469 72.464 23.183 1.00 0.00 WT3 H ATOM 45195 H2 TIP3 7456 55.395 73.437 23.622 1.00 0.00 WT3 H ATOM 45196 OH2 TIP3 7461 31.480 19.649 54.632 1.00 0.00 WT3 O ATOM 45197 H1 TIP3 7461 31.202 19.275 55.468 1.00 0.00 WT3 H ATOM 45198 H2 TIP3 7461 32.268 20.150 54.844 1.00 0.00 WT3 H ATOM 45199 OH2 TIP3 7467 41.648 95.835 41.659 1.00 0.00 WT3 O ATOM 45200 H1 TIP3 7467 41.274 95.343 40.929 1.00 0.00 WT3 H ATOM 45201 H2 TIP3 7467 42.234 96.469 41.245 1.00 0.00 WT3 H ATOM 45202 OH2 TIP3 7471 76.816 80.801 -14.308 1.00 0.00 WT3 O ATOM 45203 H1 TIP3 7471 76.248 80.986 -13.560 1.00 0.00 WT3 H ATOM 45204 H2 TIP3 7471 77.199 79.946 -14.111 1.00 0.00 WT3 H ATOM 45205 OH2 TIP3 7472 60.335 4.075 26.470 1.00 0.00 WT3 O ATOM 45206 H1 TIP3 7472 60.139 4.510 27.300 1.00 0.00 WT3 H ATOM 45207 H2 TIP3 7472 61.277 3.908 26.503 1.00 0.00 WT3 H ATOM 45208 OH2 TIP3 7473 73.482 51.331 51.121 1.00 0.00 WT3 O ATOM 45209 H1 TIP3 7473 73.748 52.233 50.946 1.00 0.00 WT3 H ATOM 45210 H2 TIP3 7473 72.595 51.407 51.473 1.00 0.00 WT3 H ATOM 45211 OH2 TIP3 7474 41.676 44.821 28.497 1.00 0.00 WT3 O ATOM 45212 H1 TIP3 7474 41.140 44.589 27.739 1.00 0.00 WT3 H ATOM 45213 H2 TIP3 7474 42.185 45.579 28.208 1.00 0.00 WT3 H ATOM 45214 OH2 TIP3 7476 21.574 55.465 47.750 1.00 0.00 WT3 O ATOM 45215 H1 TIP3 7476 21.680 55.784 46.854 1.00 0.00 WT3 H ATOM 45216 H2 TIP3 7476 22.279 55.887 48.240 1.00 0.00 WT3 H ATOM 45217 OH2 TIP3 7479 25.434 56.582 58.880 1.00 0.00 WT3 O ATOM 45218 H1 TIP3 7479 25.691 55.660 58.855 1.00 0.00 WT3 H ATOM 45219 H2 TIP3 7479 25.366 56.787 59.813 1.00 0.00 WT3 H ATOM 45220 OH2 TIP3 7480 54.346 47.206 -9.618 1.00 0.00 WT3 O ATOM 45221 H1 TIP3 7480 54.360 47.103 -8.667 1.00 0.00 WT3 H ATOM 45222 H2 TIP3 7480 55.002 46.587 -9.937 1.00 0.00 WT3 H ATOM 45223 OH2 TIP3 7483 70.911 0.334 10.637 1.00 0.00 WT3 O ATOM 45224 H1 TIP3 7483 71.578 -0.105 10.109 1.00 0.00 WT3 H ATOM 45225 H2 TIP3 7483 70.219 0.556 10.013 1.00 0.00 WT3 H ATOM 45226 OH2 TIP3 7486 82.859 48.203 16.422 1.00 0.00 WT3 O ATOM 45227 H1 TIP3 7486 83.120 47.290 16.302 1.00 0.00 WT3 H ATOM 45228 H2 TIP3 7486 82.489 48.459 15.577 1.00 0.00 WT3 H ATOM 45229 OH2 TIP3 7490 53.987 37.674 41.321 1.00 0.00 WT3 O ATOM 45230 H1 TIP3 7490 54.170 36.996 40.671 1.00 0.00 WT3 H ATOM 45231 H2 TIP3 7490 53.390 38.277 40.877 1.00 0.00 WT3 H ATOM 45232 OH2 TIP3 7492 62.409 54.773 60.687 1.00 0.00 WT3 O ATOM 45233 H1 TIP3 7492 61.544 55.086 60.954 1.00 0.00 WT3 H ATOM 45234 H2 TIP3 7492 62.544 55.151 59.818 1.00 0.00 WT3 H ATOM 45235 OH2 TIP3 7493 20.143 48.593 47.175 1.00 0.00 WT3 O ATOM 45236 H1 TIP3 7493 21.018 48.204 47.161 1.00 0.00 WT3 H ATOM 45237 H2 TIP3 7493 19.867 48.595 46.259 1.00 0.00 WT3 H ATOM 45238 OH2 TIP3 7494 59.878 41.528 -2.295 1.00 0.00 WT3 O ATOM 45239 H1 TIP3 7494 60.147 42.143 -1.612 1.00 0.00 WT3 H ATOM 45240 H2 TIP3 7494 59.016 41.220 -2.014 1.00 0.00 WT3 H ATOM 45241 OH2 TIP3 7495 45.860 9.456 1.132 1.00 0.00 WT3 O ATOM 45242 H1 TIP3 7495 45.647 9.079 1.986 1.00 0.00 WT3 H ATOM 45243 H2 TIP3 7495 45.970 10.391 1.303 1.00 0.00 WT3 H ATOM 45244 OH2 TIP3 7497 29.225 40.249 -8.511 1.00 0.00 WT3 O ATOM 45245 H1 TIP3 7497 29.393 40.282 -9.453 1.00 0.00 WT3 H ATOM 45246 H2 TIP3 7497 28.905 41.125 -8.294 1.00 0.00 WT3 H ATOM 45247 OH2 TIP3 7498 38.873 59.982 14.623 1.00 0.00 WT3 O ATOM 45248 H1 TIP3 7498 39.555 60.647 14.525 1.00 0.00 WT3 H ATOM 45249 H2 TIP3 7498 39.019 59.614 15.494 1.00 0.00 WT3 H ATOM 45250 OH2 TIP3 7500 73.660 48.475 57.874 1.00 0.00 WT3 O ATOM 45251 H1 TIP3 7500 73.835 48.229 56.966 1.00 0.00 WT3 H ATOM 45252 H2 TIP3 7500 73.664 49.432 57.869 1.00 0.00 WT3 H ATOM 45253 OH2 TIP3 7501 28.002 63.838 -3.589 1.00 0.00 WT3 O ATOM 45254 H1 TIP3 7501 28.059 64.030 -2.653 1.00 0.00 WT3 H ATOM 45255 H2 TIP3 7501 28.823 64.170 -3.953 1.00 0.00 WT3 H ATOM 45256 OH2 TIP3 7503 63.624 84.134 46.648 1.00 0.00 WT3 O ATOM 45257 H1 TIP3 7503 63.686 83.677 45.809 1.00 0.00 WT3 H ATOM 45258 H2 TIP3 7503 62.685 84.180 46.828 1.00 0.00 WT3 H ATOM 45259 OH2 TIP3 7504 61.741 81.355 3.263 1.00 0.00 WT3 O ATOM 45260 H1 TIP3 7504 61.473 80.459 3.467 1.00 0.00 WT3 H ATOM 45261 H2 TIP3 7504 61.217 81.902 3.848 1.00 0.00 WT3 H ATOM 45262 OH2 TIP3 7505 60.125 72.695 -4.091 1.00 0.00 WT3 O ATOM 45263 H1 TIP3 7505 59.596 71.954 -3.794 1.00 0.00 WT3 H ATOM 45264 H2 TIP3 7505 59.494 73.404 -4.217 1.00 0.00 WT3 H ATOM 45265 OH2 TIP3 7507 40.401 92.389 51.307 1.00 0.00 WT3 O ATOM 45266 H1 TIP3 7507 39.505 92.630 51.071 1.00 0.00 WT3 H ATOM 45267 H2 TIP3 7507 40.384 91.434 51.370 1.00 0.00 WT3 H ATOM 45268 OH2 TIP3 7508 75.508 94.924 -12.605 1.00 0.00 WT3 O ATOM 45269 H1 TIP3 7508 75.001 94.774 -13.403 1.00 0.00 WT3 H ATOM 45270 H2 TIP3 7508 75.077 94.385 -11.942 1.00 0.00 WT3 H ATOM 45271 OH2 TIP3 7509 54.409 52.253 51.194 1.00 0.00 WT3 O ATOM 45272 H1 TIP3 7509 53.696 52.438 50.582 1.00 0.00 WT3 H ATOM 45273 H2 TIP3 7509 54.295 52.895 51.895 1.00 0.00 WT3 H ATOM 45274 OH2 TIP3 7510 82.357 30.895 -9.172 1.00 0.00 WT3 O ATOM 45275 H1 TIP3 7510 81.890 30.156 -9.562 1.00 0.00 WT3 H ATOM 45276 H2 TIP3 7510 82.653 30.570 -8.322 1.00 0.00 WT3 H ATOM 45277 OH2 TIP3 7511 51.893 52.424 -10.849 1.00 0.00 WT3 O ATOM 45278 H1 TIP3 7511 51.347 52.651 -10.097 1.00 0.00 WT3 H ATOM 45279 H2 TIP3 7511 52.577 53.094 -10.860 1.00 0.00 WT3 H ATOM 45280 OH2 TIP3 7513 85.536 66.608 10.712 1.00 0.00 WT3 O ATOM 45281 H1 TIP3 7513 84.688 66.849 11.085 1.00 0.00 WT3 H ATOM 45282 H2 TIP3 7513 85.594 65.661 10.841 1.00 0.00 WT3 H ATOM 45283 OH2 TIP3 7516 82.579 94.564 5.176 1.00 0.00 WT3 O ATOM 45284 H1 TIP3 7516 83.142 93.997 5.703 1.00 0.00 WT3 H ATOM 45285 H2 TIP3 7516 82.767 94.314 4.271 1.00 0.00 WT3 H ATOM 45286 OH2 TIP3 7519 22.969 48.244 6.979 1.00 0.00 WT3 O ATOM 45287 H1 TIP3 7519 23.694 48.680 6.531 1.00 0.00 WT3 H ATOM 45288 H2 TIP3 7519 22.409 48.959 7.282 1.00 0.00 WT3 H ATOM 45289 OH2 TIP3 7520 74.219 50.113 38.671 1.00 0.00 WT3 O ATOM 45290 H1 TIP3 7520 74.333 49.509 37.937 1.00 0.00 WT3 H ATOM 45291 H2 TIP3 7520 73.943 50.935 38.264 1.00 0.00 WT3 H ATOM 45292 OH2 TIP3 7522 82.831 49.861 28.328 1.00 0.00 WT3 O ATOM 45293 H1 TIP3 7522 82.093 49.622 27.768 1.00 0.00 WT3 H ATOM 45294 H2 TIP3 7522 83.493 50.195 27.723 1.00 0.00 WT3 H ATOM 45295 OH2 TIP3 7523 52.428 24.762 32.141 1.00 0.00 WT3 O ATOM 45296 H1 TIP3 7523 52.095 25.640 32.325 1.00 0.00 WT3 H ATOM 45297 H2 TIP3 7523 51.644 24.235 31.984 1.00 0.00 WT3 H ATOM 45298 OH2 TIP3 7524 47.326 86.947 -15.254 1.00 0.00 WT3 O ATOM 45299 H1 TIP3 7524 48.279 86.994 -15.175 1.00 0.00 WT3 H ATOM 45300 H2 TIP3 7524 47.155 87.083 -16.186 1.00 0.00 WT3 H ATOM 45301 OH2 TIP3 7525 62.806 59.887 23.999 1.00 0.00 WT3 O ATOM 45302 H1 TIP3 7525 62.243 60.614 23.732 1.00 0.00 WT3 H ATOM 45303 H2 TIP3 7525 62.296 59.417 24.658 1.00 0.00 WT3 H ATOM 45304 OH2 TIP3 7526 23.594 51.918 20.161 1.00 0.00 WT3 O ATOM 45305 H1 TIP3 7526 23.754 52.168 21.071 1.00 0.00 WT3 H ATOM 45306 H2 TIP3 7526 23.394 52.742 19.717 1.00 0.00 WT3 H ATOM 45307 OH2 TIP3 7527 89.447 64.117 6.274 1.00 0.00 WT3 O ATOM 45308 H1 TIP3 7527 89.141 64.032 7.177 1.00 0.00 WT3 H ATOM 45309 H2 TIP3 7527 90.346 63.787 6.293 1.00 0.00 WT3 H ATOM 45310 OH2 TIP3 7528 90.446 42.028 50.347 1.00 0.00 WT3 O ATOM 45311 H1 TIP3 7528 90.149 41.475 51.071 1.00 0.00 WT3 H ATOM 45312 H2 TIP3 7528 90.843 42.788 50.773 1.00 0.00 WT3 H ATOM 45313 OH2 TIP3 7529 55.552 71.013 28.960 1.00 0.00 WT3 O ATOM 45314 H1 TIP3 7529 55.653 71.513 28.150 1.00 0.00 WT3 H ATOM 45315 H2 TIP3 7529 54.606 70.928 29.073 1.00 0.00 WT3 H ATOM 45316 OH2 TIP3 7530 50.753 69.190 31.001 1.00 0.00 WT3 O ATOM 45317 H1 TIP3 7530 51.542 68.660 31.110 1.00 0.00 WT3 H ATOM 45318 H2 TIP3 7530 50.095 68.758 31.546 1.00 0.00 WT3 H ATOM 45319 OH2 TIP3 7531 86.691 36.639 28.516 1.00 0.00 WT3 O ATOM 45320 H1 TIP3 7531 87.633 36.750 28.644 1.00 0.00 WT3 H ATOM 45321 H2 TIP3 7531 86.454 37.315 27.881 1.00 0.00 WT3 H ATOM 45322 OH2 TIP3 7532 75.002 83.754 49.745 1.00 0.00 WT3 O ATOM 45323 H1 TIP3 7532 75.916 83.787 50.028 1.00 0.00 WT3 H ATOM 45324 H2 TIP3 7532 74.905 84.503 49.157 1.00 0.00 WT3 H ATOM 45325 OH2 TIP3 7537 24.677 70.699 13.838 1.00 0.00 WT3 O ATOM 45326 H1 TIP3 7537 24.791 70.510 14.769 1.00 0.00 WT3 H ATOM 45327 H2 TIP3 7537 23.821 70.329 13.621 1.00 0.00 WT3 H ATOM 45328 OH2 TIP3 7538 20.444 78.568 7.092 1.00 0.00 WT3 O ATOM 45329 H1 TIP3 7538 21.108 79.215 7.330 1.00 0.00 WT3 H ATOM 45330 H2 TIP3 7538 19.755 78.678 7.748 1.00 0.00 WT3 H ATOM 45331 OH2 TIP3 7539 78.795 94.184 -8.077 1.00 0.00 WT3 O ATOM 45332 H1 TIP3 7539 78.175 94.745 -8.543 1.00 0.00 WT3 H ATOM 45333 H2 TIP3 7539 78.520 93.292 -8.291 1.00 0.00 WT3 H ATOM 45334 OH2 TIP3 7540 79.678 31.342 24.187 1.00 0.00 WT3 O ATOM 45335 H1 TIP3 7540 80.556 31.509 23.844 1.00 0.00 WT3 H ATOM 45336 H2 TIP3 7540 79.306 32.212 24.330 1.00 0.00 WT3 H ATOM 45337 OH2 TIP3 7541 26.881 5.208 52.263 1.00 0.00 WT3 O ATOM 45338 H1 TIP3 7541 26.459 5.923 51.787 1.00 0.00 WT3 H ATOM 45339 H2 TIP3 7541 27.163 4.599 51.580 1.00 0.00 WT3 H ATOM 45340 OH2 TIP3 7542 80.295 66.247 21.849 1.00 0.00 WT3 O ATOM 45341 H1 TIP3 7542 80.249 66.798 21.067 1.00 0.00 WT3 H ATOM 45342 H2 TIP3 7542 79.387 65.997 22.020 1.00 0.00 WT3 H ATOM 45343 OH2 TIP3 7544 83.262 73.178 35.260 1.00 0.00 WT3 O ATOM 45344 H1 TIP3 7544 83.104 73.137 36.204 1.00 0.00 WT3 H ATOM 45345 H2 TIP3 7544 83.636 72.324 35.043 1.00 0.00 WT3 H ATOM 45346 OH2 TIP3 7545 36.027 59.611 18.600 1.00 0.00 WT3 O ATOM 45347 H1 TIP3 7545 36.858 59.660 19.073 1.00 0.00 WT3 H ATOM 45348 H2 TIP3 7545 36.248 59.183 17.773 1.00 0.00 WT3 H ATOM 45349 OH2 TIP3 7547 69.867 34.516 63.334 1.00 0.00 WT3 O ATOM 45350 H1 TIP3 7547 69.079 34.519 62.791 1.00 0.00 WT3 H ATOM 45351 H2 TIP3 7547 70.401 35.230 62.987 1.00 0.00 WT3 H ATOM 45352 OH2 TIP3 7550 29.839 89.348 1.812 1.00 0.00 WT3 O ATOM 45353 H1 TIP3 7550 29.033 89.179 2.300 1.00 0.00 WT3 H ATOM 45354 H2 TIP3 7550 29.620 90.076 1.230 1.00 0.00 WT3 H ATOM 45355 OH2 TIP3 7551 31.248 21.085 22.053 1.00 0.00 WT3 O ATOM 45356 H1 TIP3 7551 32.042 21.578 21.844 1.00 0.00 WT3 H ATOM 45357 H2 TIP3 7551 30.555 21.745 22.077 1.00 0.00 WT3 H ATOM 45358 OH2 TIP3 7552 67.841 72.942 -7.832 1.00 0.00 WT3 O ATOM 45359 H1 TIP3 7552 68.516 72.291 -7.642 1.00 0.00 WT3 H ATOM 45360 H2 TIP3 7552 67.041 72.431 -7.952 1.00 0.00 WT3 H ATOM 45361 OH2 TIP3 7553 36.411 78.641 32.570 1.00 0.00 WT3 O ATOM 45362 H1 TIP3 7553 35.916 77.905 32.930 1.00 0.00 WT3 H ATOM 45363 H2 TIP3 7553 37.311 78.490 32.860 1.00 0.00 WT3 H ATOM 45364 OH2 TIP3 7554 45.754 72.756 45.569 1.00 0.00 WT3 O ATOM 45365 H1 TIP3 7554 45.016 72.149 45.632 1.00 0.00 WT3 H ATOM 45366 H2 TIP3 7554 45.495 73.505 46.107 1.00 0.00 WT3 H ATOM 45367 OH2 TIP3 7555 61.252 56.224 -5.303 1.00 0.00 WT3 O ATOM 45368 H1 TIP3 7555 60.490 56.475 -5.825 1.00 0.00 WT3 H ATOM 45369 H2 TIP3 7555 60.960 56.312 -4.395 1.00 0.00 WT3 H ATOM 45370 OH2 TIP3 7556 62.001 53.024 22.430 1.00 0.00 WT3 O ATOM 45371 H1 TIP3 7556 61.257 52.461 22.640 1.00 0.00 WT3 H ATOM 45372 H2 TIP3 7556 61.734 53.490 21.637 1.00 0.00 WT3 H ATOM 45373 OH2 TIP3 7557 58.009 20.162 24.522 1.00 0.00 WT3 O ATOM 45374 H1 TIP3 7557 58.038 21.118 24.569 1.00 0.00 WT3 H ATOM 45375 H2 TIP3 7557 57.639 19.892 25.363 1.00 0.00 WT3 H ATOM 45376 OH2 TIP3 7558 32.458 76.028 44.662 1.00 0.00 WT3 O ATOM 45377 H1 TIP3 7558 32.812 75.257 45.105 1.00 0.00 WT3 H ATOM 45378 H2 TIP3 7558 33.169 76.668 44.688 1.00 0.00 WT3 H ATOM 45379 OH2 TIP3 7559 27.515 22.316 4.353 1.00 0.00 WT3 O ATOM 45380 H1 TIP3 7559 28.448 22.106 4.375 1.00 0.00 WT3 H ATOM 45381 H2 TIP3 7559 27.477 23.256 4.529 1.00 0.00 WT3 H ATOM 45382 OH2 TIP3 7560 89.045 78.518 0.672 1.00 0.00 WT3 O ATOM 45383 H1 TIP3 7560 89.718 77.846 0.787 1.00 0.00 WT3 H ATOM 45384 H2 TIP3 7560 88.333 78.245 1.249 1.00 0.00 WT3 H ATOM 45385 OH2 TIP3 7561 37.495 77.681 -15.190 1.00 0.00 WT3 O ATOM 45386 H1 TIP3 7561 37.173 77.046 -14.550 1.00 0.00 WT3 H ATOM 45387 H2 TIP3 7561 37.752 78.440 -14.668 1.00 0.00 WT3 H ATOM 45388 OH2 TIP3 7562 68.506 65.117 64.851 1.00 0.00 WT3 O ATOM 45389 H1 TIP3 7562 69.277 64.777 65.305 1.00 0.00 WT3 H ATOM 45390 H2 TIP3 7562 67.830 65.159 65.527 1.00 0.00 WT3 H ATOM 45391 OH2 TIP3 7563 78.234 58.058 22.019 1.00 0.00 WT3 O ATOM 45392 H1 TIP3 7563 78.637 58.255 21.174 1.00 0.00 WT3 H ATOM 45393 H2 TIP3 7563 77.486 57.500 21.805 1.00 0.00 WT3 H ATOM 45394 OH2 TIP3 7564 75.859 8.247 -20.015 1.00 0.00 WT3 O ATOM 45395 H1 TIP3 7564 75.753 8.866 -19.293 1.00 0.00 WT3 H ATOM 45396 H2 TIP3 7564 76.794 8.041 -20.019 1.00 0.00 WT3 H ATOM 45397 OH2 TIP3 7567 69.928 60.358 33.759 1.00 0.00 WT3 O ATOM 45398 H1 TIP3 7567 69.127 60.163 33.273 1.00 0.00 WT3 H ATOM 45399 H2 TIP3 7567 69.824 59.894 34.589 1.00 0.00 WT3 H ATOM 45400 OH2 TIP3 7568 28.823 48.480 -7.854 1.00 0.00 WT3 O ATOM 45401 H1 TIP3 7568 28.063 48.354 -7.286 1.00 0.00 WT3 H ATOM 45402 H2 TIP3 7568 28.551 49.159 -8.471 1.00 0.00 WT3 H ATOM 45403 OH2 TIP3 7570 30.782 25.331 36.108 1.00 0.00 WT3 O ATOM 45404 H1 TIP3 7570 30.451 25.713 36.920 1.00 0.00 WT3 H ATOM 45405 H2 TIP3 7570 30.106 25.525 35.459 1.00 0.00 WT3 H ATOM 45406 OH2 TIP3 7571 90.372 44.518 51.539 1.00 0.00 WT3 O ATOM 45407 H1 TIP3 7571 90.650 44.719 52.432 1.00 0.00 WT3 H ATOM 45408 H2 TIP3 7571 89.433 44.345 51.613 1.00 0.00 WT3 H ATOM 45409 OH2 TIP3 7572 54.406 15.709 60.350 1.00 0.00 WT3 O ATOM 45410 H1 TIP3 7572 55.348 15.787 60.502 1.00 0.00 WT3 H ATOM 45411 H2 TIP3 7572 54.315 15.729 59.397 1.00 0.00 WT3 H ATOM 45412 OH2 TIP3 7574 78.596 2.411 -5.844 1.00 0.00 WT3 O ATOM 45413 H1 TIP3 7574 79.335 2.328 -5.241 1.00 0.00 WT3 H ATOM 45414 H2 TIP3 7574 78.384 3.345 -5.837 1.00 0.00 WT3 H ATOM 45415 OH2 TIP3 7575 43.918 80.015 -15.567 1.00 0.00 WT3 O ATOM 45416 H1 TIP3 7575 43.730 79.814 -14.650 1.00 0.00 WT3 H ATOM 45417 H2 TIP3 7575 44.456 79.282 -15.867 1.00 0.00 WT3 H ATOM 45418 OH2 TIP3 7576 40.859 93.354 3.463 1.00 0.00 WT3 O ATOM 45419 H1 TIP3 7576 41.113 94.270 3.575 1.00 0.00 WT3 H ATOM 45420 H2 TIP3 7576 39.925 93.336 3.672 1.00 0.00 WT3 H ATOM 45421 OH2 TIP3 7578 46.835 66.392 64.394 1.00 0.00 WT3 O ATOM 45422 H1 TIP3 7578 47.670 66.292 63.937 1.00 0.00 WT3 H ATOM 45423 H2 TIP3 7578 46.383 67.088 63.919 1.00 0.00 WT3 H ATOM 45424 OH2 TIP3 7579 38.103 69.336 31.811 1.00 0.00 WT3 O ATOM 45425 H1 TIP3 7579 38.744 69.299 32.520 1.00 0.00 WT3 H ATOM 45426 H2 TIP3 7579 38.596 69.090 31.028 1.00 0.00 WT3 H ATOM 45427 OH2 TIP3 7580 71.687 61.044 1.959 1.00 0.00 WT3 O ATOM 45428 H1 TIP3 7580 72.388 60.839 2.578 1.00 0.00 WT3 H ATOM 45429 H2 TIP3 7580 70.920 61.202 2.510 1.00 0.00 WT3 H ATOM 45430 OH2 TIP3 7581 60.047 2.522 40.803 1.00 0.00 WT3 O ATOM 45431 H1 TIP3 7581 59.619 3.298 41.165 1.00 0.00 WT3 H ATOM 45432 H2 TIP3 7581 60.026 2.657 39.855 1.00 0.00 WT3 H ATOM 45433 OH2 TIP3 7582 52.410 6.527 28.400 1.00 0.00 WT3 O ATOM 45434 H1 TIP3 7582 51.578 7.000 28.406 1.00 0.00 WT3 H ATOM 45435 H2 TIP3 7582 53.076 7.213 28.348 1.00 0.00 WT3 H ATOM 45436 OH2 TIP3 7584 83.805 39.752 40.750 1.00 0.00 WT3 O ATOM 45437 H1 TIP3 7584 83.555 40.635 41.024 1.00 0.00 WT3 H ATOM 45438 H2 TIP3 7584 84.354 39.426 41.464 1.00 0.00 WT3 H ATOM 45439 OH2 TIP3 7585 24.932 10.558 58.665 1.00 0.00 WT3 O ATOM 45440 H1 TIP3 7585 25.378 11.060 57.983 1.00 0.00 WT3 H ATOM 45441 H2 TIP3 7585 24.383 11.199 59.115 1.00 0.00 WT3 H ATOM 45442 OH2 TIP3 7586 28.463 7.986 -14.981 1.00 0.00 WT3 O ATOM 45443 H1 TIP3 7586 29.416 7.929 -15.048 1.00 0.00 WT3 H ATOM 45444 H2 TIP3 7586 28.278 8.925 -14.992 1.00 0.00 WT3 H ATOM 45445 OH2 TIP3 7587 22.336 18.258 51.179 1.00 0.00 WT3 O ATOM 45446 H1 TIP3 7587 22.344 18.704 50.333 1.00 0.00 WT3 H ATOM 45447 H2 TIP3 7587 23.082 17.659 51.141 1.00 0.00 WT3 H ATOM 45448 OH2 TIP3 7588 79.086 68.684 34.069 1.00 0.00 WT3 O ATOM 45449 H1 TIP3 7588 78.669 68.359 33.272 1.00 0.00 WT3 H ATOM 45450 H2 TIP3 7588 79.356 69.577 33.852 1.00 0.00 WT3 H ATOM 45451 OH2 TIP3 7589 20.954 90.652 -7.808 1.00 0.00 WT3 O ATOM 45452 H1 TIP3 7589 21.748 90.858 -7.314 1.00 0.00 WT3 H ATOM 45453 H2 TIP3 7589 20.717 91.475 -8.235 1.00 0.00 WT3 H ATOM 45454 OH2 TIP3 7590 66.846 69.731 -3.932 1.00 0.00 WT3 O ATOM 45455 H1 TIP3 7590 66.509 69.265 -3.167 1.00 0.00 WT3 H ATOM 45456 H2 TIP3 7590 66.426 70.590 -3.895 1.00 0.00 WT3 H ATOM 45457 OH2 TIP3 7591 71.188 79.535 13.749 1.00 0.00 WT3 O ATOM 45458 H1 TIP3 7591 71.359 79.891 12.877 1.00 0.00 WT3 H ATOM 45459 H2 TIP3 7591 71.149 78.587 13.618 1.00 0.00 WT3 H ATOM 45460 OH2 TIP3 7592 45.840 16.624 30.436 1.00 0.00 WT3 O ATOM 45461 H1 TIP3 7592 45.967 17.140 29.640 1.00 0.00 WT3 H ATOM 45462 H2 TIP3 7592 46.505 16.948 31.042 1.00 0.00 WT3 H ATOM 45463 OH2 TIP3 7593 34.276 2.961 24.939 1.00 0.00 WT3 O ATOM 45464 H1 TIP3 7593 34.984 3.431 25.379 1.00 0.00 WT3 H ATOM 45465 H2 TIP3 7593 34.190 2.144 25.430 1.00 0.00 WT3 H ATOM 45466 OH2 TIP3 7594 90.734 74.373 48.396 1.00 0.00 WT3 O ATOM 45467 H1 TIP3 7594 91.042 73.476 48.264 1.00 0.00 WT3 H ATOM 45468 H2 TIP3 7594 89.825 74.361 48.098 1.00 0.00 WT3 H ATOM 45469 OH2 TIP3 7595 32.155 80.035 29.651 1.00 0.00 WT3 O ATOM 45470 H1 TIP3 7595 32.178 79.672 28.766 1.00 0.00 WT3 H ATOM 45471 H2 TIP3 7595 32.350 80.965 29.535 1.00 0.00 WT3 H ATOM 45472 OH2 TIP3 7596 59.955 79.850 -15.314 1.00 0.00 WT3 O ATOM 45473 H1 TIP3 7596 59.606 79.452 -16.112 1.00 0.00 WT3 H ATOM 45474 H2 TIP3 7596 60.199 79.107 -14.762 1.00 0.00 WT3 H ATOM 45475 OH2 TIP3 7597 60.641 15.587 11.464 1.00 0.00 WT3 O ATOM 45476 H1 TIP3 7597 60.096 15.931 12.171 1.00 0.00 WT3 H ATOM 45477 H2 TIP3 7597 60.935 16.365 10.988 1.00 0.00 WT3 H ATOM 45478 OH2 TIP3 7598 86.842 2.231 32.687 1.00 0.00 WT3 O ATOM 45479 H1 TIP3 7598 86.213 1.915 32.038 1.00 0.00 WT3 H ATOM 45480 H2 TIP3 7598 87.449 1.500 32.808 1.00 0.00 WT3 H ATOM 45481 OH2 TIP3 7599 33.436 34.039 14.718 1.00 0.00 WT3 O ATOM 45482 H1 TIP3 7599 34.068 34.742 14.571 1.00 0.00 WT3 H ATOM 45483 H2 TIP3 7599 32.917 34.335 15.466 1.00 0.00 WT3 H ATOM 45484 OH2 TIP3 7600 29.561 26.689 -13.241 1.00 0.00 WT3 O ATOM 45485 H1 TIP3 7600 29.568 26.774 -12.288 1.00 0.00 WT3 H ATOM 45486 H2 TIP3 7600 30.347 26.180 -13.442 1.00 0.00 WT3 H ATOM 45487 OH2 TIP3 7602 78.834 95.340 56.395 1.00 0.00 WT3 O ATOM 45488 H1 TIP3 7602 79.439 95.092 55.696 1.00 0.00 WT3 H ATOM 45489 H2 TIP3 7602 79.400 95.609 57.119 1.00 0.00 WT3 H ATOM 45490 OH2 TIP3 7604 68.098 4.399 -11.166 1.00 0.00 WT3 O ATOM 45491 H1 TIP3 7604 69.019 4.546 -10.950 1.00 0.00 WT3 H ATOM 45492 H2 TIP3 7604 67.860 5.140 -11.723 1.00 0.00 WT3 H ATOM 45493 OH2 TIP3 7605 84.219 14.628 -4.342 1.00 0.00 WT3 O ATOM 45494 H1 TIP3 7605 85.155 14.464 -4.227 1.00 0.00 WT3 H ATOM 45495 H2 TIP3 7605 83.995 15.238 -3.639 1.00 0.00 WT3 H ATOM 45496 OH2 TIP3 7606 83.573 42.340 33.169 1.00 0.00 WT3 O ATOM 45497 H1 TIP3 7606 84.331 42.431 33.746 1.00 0.00 WT3 H ATOM 45498 H2 TIP3 7606 83.920 41.931 32.377 1.00 0.00 WT3 H ATOM 45499 OH2 TIP3 7608 57.370 30.717 5.410 1.00 0.00 WT3 O ATOM 45500 H1 TIP3 7608 56.502 30.644 5.807 1.00 0.00 WT3 H ATOM 45501 H2 TIP3 7608 57.629 31.626 5.565 1.00 0.00 WT3 H ATOM 45502 OH2 TIP3 7609 42.260 14.514 14.850 1.00 0.00 WT3 O ATOM 45503 H1 TIP3 7609 42.868 14.295 15.556 1.00 0.00 WT3 H ATOM 45504 H2 TIP3 7609 42.688 15.228 14.377 1.00 0.00 WT3 H ATOM 45505 OH2 TIP3 7610 27.411 91.234 19.912 1.00 0.00 WT3 O ATOM 45506 H1 TIP3 7610 27.803 91.278 20.784 1.00 0.00 WT3 H ATOM 45507 H2 TIP3 7610 28.050 91.658 19.339 1.00 0.00 WT3 H ATOM 45508 OH2 TIP3 7611 43.363 14.316 3.523 1.00 0.00 WT3 O ATOM 45509 H1 TIP3 7611 43.463 15.045 4.135 1.00 0.00 WT3 H ATOM 45510 H2 TIP3 7611 42.437 14.332 3.281 1.00 0.00 WT3 H ATOM 45511 OH2 TIP3 7612 67.446 80.516 39.563 1.00 0.00 WT3 O ATOM 45512 H1 TIP3 7612 67.333 81.350 39.109 1.00 0.00 WT3 H ATOM 45513 H2 TIP3 7612 66.605 80.361 39.994 1.00 0.00 WT3 H ATOM 45514 OH2 TIP3 7613 32.539 15.446 29.794 1.00 0.00 WT3 O ATOM 45515 H1 TIP3 7613 31.832 15.251 30.408 1.00 0.00 WT3 H ATOM 45516 H2 TIP3 7613 33.333 15.428 30.328 1.00 0.00 WT3 H ATOM 45517 OH2 TIP3 7614 24.273 40.316 37.631 1.00 0.00 WT3 O ATOM 45518 H1 TIP3 7614 24.317 39.466 37.192 1.00 0.00 WT3 H ATOM 45519 H2 TIP3 7614 23.337 40.512 37.681 1.00 0.00 WT3 H ATOM 45520 OH2 TIP3 7615 71.455 52.104 -11.492 1.00 0.00 WT3 O ATOM 45521 H1 TIP3 7615 70.703 51.683 -11.910 1.00 0.00 WT3 H ATOM 45522 H2 TIP3 7615 71.793 51.444 -10.887 1.00 0.00 WT3 H ATOM 45523 OH2 TIP3 7616 31.810 75.205 14.381 1.00 0.00 WT3 O ATOM 45524 H1 TIP3 7616 32.344 75.456 15.134 1.00 0.00 WT3 H ATOM 45525 H2 TIP3 7616 31.863 75.955 13.788 1.00 0.00 WT3 H ATOM 45526 OH2 TIP3 7617 70.501 57.824 55.554 1.00 0.00 WT3 O ATOM 45527 H1 TIP3 7617 69.839 58.514 55.601 1.00 0.00 WT3 H ATOM 45528 H2 TIP3 7617 70.632 57.554 56.463 1.00 0.00 WT3 H ATOM 45529 OH2 TIP3 7618 55.404 14.587 43.303 1.00 0.00 WT3 O ATOM 45530 H1 TIP3 7618 54.867 15.218 42.823 1.00 0.00 WT3 H ATOM 45531 H2 TIP3 7618 55.067 14.618 44.198 1.00 0.00 WT3 H ATOM 45532 OH2 TIP3 7619 89.104 41.893 15.439 1.00 0.00 WT3 O ATOM 45533 H1 TIP3 7619 89.899 41.763 15.956 1.00 0.00 WT3 H ATOM 45534 H2 TIP3 7619 89.421 42.091 14.557 1.00 0.00 WT3 H ATOM 45535 OH2 TIP3 7620 82.059 2.877 -1.217 1.00 0.00 WT3 O ATOM 45536 H1 TIP3 7620 82.040 3.699 -0.728 1.00 0.00 WT3 H ATOM 45537 H2 TIP3 7620 82.991 2.696 -1.345 1.00 0.00 WT3 H ATOM 45538 OH2 TIP3 7621 62.641 86.077 26.490 1.00 0.00 WT3 O ATOM 45539 H1 TIP3 7621 62.051 85.896 27.222 1.00 0.00 WT3 H ATOM 45540 H2 TIP3 7621 62.814 85.218 26.103 1.00 0.00 WT3 H ATOM 45541 OH2 TIP3 7623 45.151 12.057 41.657 1.00 0.00 WT3 O ATOM 45542 H1 TIP3 7623 45.124 11.362 40.999 1.00 0.00 WT3 H ATOM 45543 H2 TIP3 7623 45.649 12.761 41.241 1.00 0.00 WT3 H ATOM 45544 OH2 TIP3 7624 61.774 85.638 58.269 1.00 0.00 WT3 O ATOM 45545 H1 TIP3 7624 61.828 84.756 57.902 1.00 0.00 WT3 H ATOM 45546 H2 TIP3 7624 60.837 85.830 58.297 1.00 0.00 WT3 H ATOM 45547 OH2 TIP3 7625 88.264 22.813 -16.646 1.00 0.00 WT3 O ATOM 45548 H1 TIP3 7625 88.521 23.644 -16.247 1.00 0.00 WT3 H ATOM 45549 H2 TIP3 7625 87.852 22.323 -15.934 1.00 0.00 WT3 H ATOM 45550 OH2 TIP3 7626 81.478 84.647 23.638 1.00 0.00 WT3 O ATOM 45551 H1 TIP3 7626 82.076 84.420 24.350 1.00 0.00 WT3 H ATOM 45552 H2 TIP3 7626 80.833 83.939 23.632 1.00 0.00 WT3 H ATOM 45553 OH2 TIP3 7627 85.204 81.885 18.829 1.00 0.00 WT3 O ATOM 45554 H1 TIP3 7627 85.542 81.128 18.349 1.00 0.00 WT3 H ATOM 45555 H2 TIP3 7627 85.554 81.784 19.714 1.00 0.00 WT3 H ATOM 45556 OH2 TIP3 7628 32.854 82.229 43.375 1.00 0.00 WT3 O ATOM 45557 H1 TIP3 7628 33.494 81.518 43.386 1.00 0.00 WT3 H ATOM 45558 H2 TIP3 7628 33.367 83.017 43.557 1.00 0.00 WT3 H ATOM 45559 OH2 TIP3 7629 21.065 75.541 30.223 1.00 0.00 WT3 O ATOM 45560 H1 TIP3 7629 20.238 75.658 30.689 1.00 0.00 WT3 H ATOM 45561 H2 TIP3 7629 21.189 74.593 30.189 1.00 0.00 WT3 H ATOM 45562 OH2 TIP3 7630 30.919 73.929 -5.232 1.00 0.00 WT3 O ATOM 45563 H1 TIP3 7630 31.817 73.834 -5.551 1.00 0.00 WT3 H ATOM 45564 H2 TIP3 7630 30.853 73.307 -4.509 1.00 0.00 WT3 H ATOM 45565 OH2 TIP3 7631 42.960 53.840 16.237 1.00 0.00 WT3 O ATOM 45566 H1 TIP3 7631 42.380 53.980 16.986 1.00 0.00 WT3 H ATOM 45567 H2 TIP3 7631 43.834 54.043 16.570 1.00 0.00 WT3 H ATOM 45568 OH2 TIP3 7632 75.202 31.965 63.817 1.00 0.00 WT3 O ATOM 45569 H1 TIP3 7632 75.437 31.763 62.912 1.00 0.00 WT3 H ATOM 45570 H2 TIP3 7632 75.056 32.911 63.822 1.00 0.00 WT3 H ATOM 45571 OH2 TIP3 7633 74.262 61.805 11.752 1.00 0.00 WT3 O ATOM 45572 H1 TIP3 7633 74.795 62.139 11.030 1.00 0.00 WT3 H ATOM 45573 H2 TIP3 7633 74.118 60.883 11.537 1.00 0.00 WT3 H ATOM 45574 OH2 TIP3 7634 90.018 58.056 16.207 1.00 0.00 WT3 O ATOM 45575 H1 TIP3 7634 89.240 57.653 16.593 1.00 0.00 WT3 H ATOM 45576 H2 TIP3 7634 90.736 57.788 16.780 1.00 0.00 WT3 H ATOM 45577 OH2 TIP3 7635 52.662 72.117 5.937 1.00 0.00 WT3 O ATOM 45578 H1 TIP3 7635 52.771 72.331 6.864 1.00 0.00 WT3 H ATOM 45579 H2 TIP3 7635 52.996 71.224 5.856 1.00 0.00 WT3 H ATOM 45580 OH2 TIP3 7636 81.681 71.590 38.195 1.00 0.00 WT3 O ATOM 45581 H1 TIP3 7636 82.323 72.290 38.315 1.00 0.00 WT3 H ATOM 45582 H2 TIP3 7636 82.206 70.817 37.987 1.00 0.00 WT3 H ATOM 45583 OH2 TIP3 7637 88.492 26.332 35.786 1.00 0.00 WT3 O ATOM 45584 H1 TIP3 7637 87.855 26.605 35.125 1.00 0.00 WT3 H ATOM 45585 H2 TIP3 7637 88.589 25.389 35.651 1.00 0.00 WT3 H ATOM 45586 OH2 TIP3 7638 68.816 2.617 62.591 1.00 0.00 WT3 O ATOM 45587 H1 TIP3 7638 68.895 3.098 61.767 1.00 0.00 WT3 H ATOM 45588 H2 TIP3 7638 69.050 1.717 62.368 1.00 0.00 WT3 H ATOM 45589 OH2 TIP3 7639 43.691 94.619 10.536 1.00 0.00 WT3 O ATOM 45590 H1 TIP3 7639 43.724 94.129 9.715 1.00 0.00 WT3 H ATOM 45591 H2 TIP3 7639 43.866 93.965 11.213 1.00 0.00 WT3 H ATOM 45592 OH2 TIP3 7640 68.533 74.754 60.586 1.00 0.00 WT3 O ATOM 45593 H1 TIP3 7640 68.909 74.611 61.455 1.00 0.00 WT3 H ATOM 45594 H2 TIP3 7640 68.924 75.575 60.288 1.00 0.00 WT3 H ATOM 45595 OH2 TIP3 7641 33.917 66.616 6.510 1.00 0.00 WT3 O ATOM 45596 H1 TIP3 7641 34.004 65.845 7.070 1.00 0.00 WT3 H ATOM 45597 H2 TIP3 7641 33.349 67.208 7.003 1.00 0.00 WT3 H ATOM 45598 OH2 TIP3 7642 80.808 43.943 -12.149 1.00 0.00 WT3 O ATOM 45599 H1 TIP3 7642 80.165 43.714 -11.478 1.00 0.00 WT3 H ATOM 45600 H2 TIP3 7642 80.406 43.665 -12.972 1.00 0.00 WT3 H ATOM 45601 OH2 TIP3 7643 52.570 73.405 -1.056 1.00 0.00 WT3 O ATOM 45602 H1 TIP3 7643 52.348 73.167 -0.155 1.00 0.00 WT3 H ATOM 45603 H2 TIP3 7643 53.397 72.955 -1.226 1.00 0.00 WT3 H ATOM 45604 OH2 TIP3 7644 34.640 54.680 10.170 1.00 0.00 WT3 O ATOM 45605 H1 TIP3 7644 34.755 54.418 9.257 1.00 0.00 WT3 H ATOM 45606 H2 TIP3 7644 35.519 54.918 10.465 1.00 0.00 WT3 H ATOM 45607 OH2 TIP3 7645 73.021 84.665 64.944 1.00 0.00 WT3 O ATOM 45608 H1 TIP3 7645 73.551 85.445 64.782 1.00 0.00 WT3 H ATOM 45609 H2 TIP3 7645 73.387 84.289 65.745 1.00 0.00 WT3 H ATOM 45610 OH2 TIP3 7646 55.369 84.112 26.672 1.00 0.00 WT3 O ATOM 45611 H1 TIP3 7646 56.193 84.502 26.382 1.00 0.00 WT3 H ATOM 45612 H2 TIP3 7646 54.730 84.821 26.599 1.00 0.00 WT3 H ATOM 45613 OH2 TIP3 7647 80.597 20.410 4.442 1.00 0.00 WT3 O ATOM 45614 H1 TIP3 7647 81.300 19.987 4.936 1.00 0.00 WT3 H ATOM 45615 H2 TIP3 7647 80.912 21.302 4.294 1.00 0.00 WT3 H ATOM 45616 OH2 TIP3 7649 79.993 49.746 5.180 1.00 0.00 WT3 O ATOM 45617 H1 TIP3 7649 80.805 49.574 5.656 1.00 0.00 WT3 H ATOM 45618 H2 TIP3 7649 79.584 50.470 5.655 1.00 0.00 WT3 H ATOM 45619 OH2 TIP3 7650 64.679 88.546 -19.583 1.00 0.00 WT3 O ATOM 45620 H1 TIP3 7650 65.486 88.731 -20.063 1.00 0.00 WT3 H ATOM 45621 H2 TIP3 7650 64.932 87.896 -18.928 1.00 0.00 WT3 H ATOM 45622 OH2 TIP3 7651 52.523 80.101 44.707 1.00 0.00 WT3 O ATOM 45623 H1 TIP3 7651 52.852 80.754 44.090 1.00 0.00 WT3 H ATOM 45624 H2 TIP3 7651 53.161 79.389 44.667 1.00 0.00 WT3 H ATOM 45625 OH2 TIP3 7652 23.257 52.414 63.595 1.00 0.00 WT3 O ATOM 45626 H1 TIP3 7652 24.120 52.071 63.828 1.00 0.00 WT3 H ATOM 45627 H2 TIP3 7652 22.817 52.547 64.435 1.00 0.00 WT3 H ATOM 45628 OH2 TIP3 7653 46.943 81.116 3.652 1.00 0.00 WT3 O ATOM 45629 H1 TIP3 7653 46.486 80.277 3.711 1.00 0.00 WT3 H ATOM 45630 H2 TIP3 7653 47.871 80.882 3.621 1.00 0.00 WT3 H ATOM 45631 OH2 TIP3 7654 56.056 23.896 -2.051 1.00 0.00 WT3 O ATOM 45632 H1 TIP3 7654 55.739 24.721 -1.683 1.00 0.00 WT3 H ATOM 45633 H2 TIP3 7654 55.456 23.234 -1.709 1.00 0.00 WT3 H ATOM 45634 OH2 TIP3 7656 21.354 61.003 3.410 1.00 0.00 WT3 O ATOM 45635 H1 TIP3 7656 22.153 61.516 3.287 1.00 0.00 WT3 H ATOM 45636 H2 TIP3 7656 21.644 60.212 3.865 1.00 0.00 WT3 H ATOM 45637 OH2 TIP3 7657 51.155 96.330 31.193 1.00 0.00 WT3 O ATOM 45638 H1 TIP3 7657 50.768 97.121 30.816 1.00 0.00 WT3 H ATOM 45639 H2 TIP3 7657 50.929 95.635 30.575 1.00 0.00 WT3 H ATOM 45640 OH2 TIP3 7658 60.150 76.968 -10.263 1.00 0.00 WT3 O ATOM 45641 H1 TIP3 7658 60.268 76.351 -9.541 1.00 0.00 WT3 H ATOM 45642 H2 TIP3 7658 60.045 77.819 -9.837 1.00 0.00 WT3 H ATOM 45643 OH2 TIP3 7659 47.030 1.328 40.459 1.00 0.00 WT3 O ATOM 45644 H1 TIP3 7659 47.549 1.777 41.126 1.00 0.00 WT3 H ATOM 45645 H2 TIP3 7659 46.263 1.003 40.930 1.00 0.00 WT3 H ATOM 45646 OH2 TIP3 7661 27.326 60.910 -1.240 1.00 0.00 WT3 O ATOM 45647 H1 TIP3 7661 27.076 60.485 -0.420 1.00 0.00 WT3 H ATOM 45648 H2 TIP3 7661 28.146 61.360 -1.037 1.00 0.00 WT3 H ATOM 45649 OH2 TIP3 7663 60.385 67.566 59.381 1.00 0.00 WT3 O ATOM 45650 H1 TIP3 7663 59.714 66.934 59.640 1.00 0.00 WT3 H ATOM 45651 H2 TIP3 7663 60.743 67.214 58.565 1.00 0.00 WT3 H ATOM 45652 OH2 TIP3 7664 53.278 89.240 1.911 1.00 0.00 WT3 O ATOM 45653 H1 TIP3 7664 53.103 88.320 1.710 1.00 0.00 WT3 H ATOM 45654 H2 TIP3 7664 53.165 89.305 2.859 1.00 0.00 WT3 H ATOM 45655 OH2 TIP3 7665 65.222 66.196 -13.347 1.00 0.00 WT3 O ATOM 45656 H1 TIP3 7665 64.961 65.623 -12.626 1.00 0.00 WT3 H ATOM 45657 H2 TIP3 7665 64.476 66.182 -13.946 1.00 0.00 WT3 H ATOM 45658 OH2 TIP3 7666 89.876 0.134 36.395 1.00 0.00 WT3 O ATOM 45659 H1 TIP3 7666 89.270 -0.092 35.689 1.00 0.00 WT3 H ATOM 45660 H2 TIP3 7666 89.687 1.052 36.589 1.00 0.00 WT3 H ATOM 45661 OH2 TIP3 7668 65.432 12.410 4.969 1.00 0.00 WT3 O ATOM 45662 H1 TIP3 7668 65.467 13.117 5.613 1.00 0.00 WT3 H ATOM 45663 H2 TIP3 7668 65.285 11.619 5.488 1.00 0.00 WT3 H ATOM 45664 OH2 TIP3 7669 44.836 36.173 58.922 1.00 0.00 WT3 O ATOM 45665 H1 TIP3 7669 45.459 36.376 59.620 1.00 0.00 WT3 H ATOM 45666 H2 TIP3 7669 44.624 37.023 58.535 1.00 0.00 WT3 H ATOM 45667 OH2 TIP3 7670 67.464 32.648 -15.204 1.00 0.00 WT3 O ATOM 45668 H1 TIP3 7670 67.781 32.240 -16.010 1.00 0.00 WT3 H ATOM 45669 H2 TIP3 7670 67.648 32.004 -14.520 1.00 0.00 WT3 H ATOM 45670 OH2 TIP3 7671 64.522 41.751 11.254 1.00 0.00 WT3 O ATOM 45671 H1 TIP3 7671 64.952 41.550 12.085 1.00 0.00 WT3 H ATOM 45672 H2 TIP3 7671 63.916 42.462 11.463 1.00 0.00 WT3 H ATOM 45673 OH2 TIP3 7674 30.667 65.158 -15.498 1.00 0.00 WT3 O ATOM 45674 H1 TIP3 7674 31.014 64.322 -15.808 1.00 0.00 WT3 H ATOM 45675 H2 TIP3 7674 30.606 65.056 -14.549 1.00 0.00 WT3 H ATOM 45676 OH2 TIP3 7675 70.192 80.661 21.252 1.00 0.00 WT3 O ATOM 45677 H1 TIP3 7675 70.330 80.267 20.391 1.00 0.00 WT3 H ATOM 45678 H2 TIP3 7675 69.696 80.004 21.740 1.00 0.00 WT3 H ATOM 45679 OH2 TIP3 7676 79.607 41.513 43.120 1.00 0.00 WT3 O ATOM 45680 H1 TIP3 7676 79.152 42.167 43.652 1.00 0.00 WT3 H ATOM 45681 H2 TIP3 7676 80.525 41.783 43.142 1.00 0.00 WT3 H ATOM 45682 OH2 TIP3 7677 26.017 71.885 61.374 1.00 0.00 WT3 O ATOM 45683 H1 TIP3 7677 26.347 72.608 60.841 1.00 0.00 WT3 H ATOM 45684 H2 TIP3 7677 26.097 71.115 60.811 1.00 0.00 WT3 H ATOM 45685 OH2 TIP3 7678 39.848 95.185 36.014 1.00 0.00 WT3 O ATOM 45686 H1 TIP3 7678 39.852 94.476 36.657 1.00 0.00 WT3 H ATOM 45687 H2 TIP3 7678 38.921 95.334 35.827 1.00 0.00 WT3 H ATOM 45688 OH2 TIP3 7679 72.168 3.985 9.914 1.00 0.00 WT3 O ATOM 45689 H1 TIP3 7679 71.762 3.449 10.595 1.00 0.00 WT3 H ATOM 45690 H2 TIP3 7679 73.100 3.987 10.133 1.00 0.00 WT3 H ATOM 45691 OH2 TIP3 7680 30.000 59.955 2.752 1.00 0.00 WT3 O ATOM 45692 H1 TIP3 7680 29.577 59.201 3.164 1.00 0.00 WT3 H ATOM 45693 H2 TIP3 7680 30.634 60.259 3.402 1.00 0.00 WT3 H ATOM 45694 OH2 TIP3 7681 68.723 55.967 -16.691 1.00 0.00 WT3 O ATOM 45695 H1 TIP3 7681 69.661 55.900 -16.509 1.00 0.00 WT3 H ATOM 45696 H2 TIP3 7681 68.450 55.067 -16.872 1.00 0.00 WT3 H ATOM 45697 OH2 TIP3 7682 62.736 78.951 -6.332 1.00 0.00 WT3 O ATOM 45698 H1 TIP3 7682 62.414 79.821 -6.567 1.00 0.00 WT3 H ATOM 45699 H2 TIP3 7682 63.625 79.104 -6.010 1.00 0.00 WT3 H ATOM 45700 OH2 TIP3 7683 78.321 29.969 27.454 1.00 0.00 WT3 O ATOM 45701 H1 TIP3 7683 78.980 29.608 26.861 1.00 0.00 WT3 H ATOM 45702 H2 TIP3 7683 78.479 29.525 28.287 1.00 0.00 WT3 H ATOM 45703 OH2 TIP3 7684 20.836 54.638 -2.454 1.00 0.00 WT3 O ATOM 45704 H1 TIP3 7684 20.380 53.822 -2.656 1.00 0.00 WT3 H ATOM 45705 H2 TIP3 7684 21.752 54.462 -2.672 1.00 0.00 WT3 H ATOM 45706 OH2 TIP3 7685 62.331 94.714 33.492 1.00 0.00 WT3 O ATOM 45707 H1 TIP3 7685 62.809 93.986 33.095 1.00 0.00 WT3 H ATOM 45708 H2 TIP3 7685 62.295 94.497 34.424 1.00 0.00 WT3 H ATOM 45709 OH2 TIP3 7686 83.782 0.976 -12.998 1.00 0.00 WT3 O ATOM 45710 H1 TIP3 7686 83.352 0.162 -12.738 1.00 0.00 WT3 H ATOM 45711 H2 TIP3 7686 83.668 1.014 -13.948 1.00 0.00 WT3 H ATOM 45712 OH2 TIP3 7690 88.643 92.506 66.561 1.00 0.00 WT3 O ATOM 45713 H1 TIP3 7690 88.533 92.760 67.477 1.00 0.00 WT3 H ATOM 45714 H2 TIP3 7690 88.643 93.333 66.080 1.00 0.00 WT3 H ATOM 45715 OH2 TIP3 7691 84.503 86.767 -12.938 1.00 0.00 WT3 O ATOM 45716 H1 TIP3 7691 84.543 86.568 -12.003 1.00 0.00 WT3 H ATOM 45717 H2 TIP3 7691 84.234 85.944 -13.347 1.00 0.00 WT3 H ATOM 45718 OH2 TIP3 7694 78.910 85.225 33.047 1.00 0.00 WT3 O ATOM 45719 H1 TIP3 7694 78.758 85.150 32.105 1.00 0.00 WT3 H ATOM 45720 H2 TIP3 7694 79.265 86.107 33.164 1.00 0.00 WT3 H ATOM 45721 OH2 TIP3 7695 68.885 33.369 45.635 1.00 0.00 WT3 O ATOM 45722 H1 TIP3 7695 68.641 34.088 46.217 1.00 0.00 WT3 H ATOM 45723 H2 TIP3 7695 69.799 33.542 45.410 1.00 0.00 WT3 H ATOM 45724 OH2 TIP3 7696 23.176 84.517 -6.697 1.00 0.00 WT3 O ATOM 45725 H1 TIP3 7696 23.732 85.022 -6.103 1.00 0.00 WT3 H ATOM 45726 H2 TIP3 7696 22.520 84.115 -6.127 1.00 0.00 WT3 H ATOM 45727 OH2 TIP3 7697 22.030 96.005 29.016 1.00 0.00 WT3 O ATOM 45728 H1 TIP3 7697 22.798 95.973 29.587 1.00 0.00 WT3 H ATOM 45729 H2 TIP3 7697 22.378 96.254 28.160 1.00 0.00 WT3 H ATOM 45730 OH2 TIP3 7698 59.372 40.374 2.821 1.00 0.00 WT3 O ATOM 45731 H1 TIP3 7698 59.004 40.589 3.678 1.00 0.00 WT3 H ATOM 45732 H2 TIP3 7698 58.631 40.034 2.320 1.00 0.00 WT3 H ATOM 45733 OH2 TIP3 7700 37.546 78.404 -11.497 1.00 0.00 WT3 O ATOM 45734 H1 TIP3 7700 37.671 79.170 -10.936 1.00 0.00 WT3 H ATOM 45735 H2 TIP3 7700 36.667 78.514 -11.860 1.00 0.00 WT3 H ATOM 45736 OH2 TIP3 7701 33.716 54.648 -1.416 1.00 0.00 WT3 O ATOM 45737 H1 TIP3 7701 34.408 54.315 -0.845 1.00 0.00 WT3 H ATOM 45738 H2 TIP3 7701 32.914 54.552 -0.903 1.00 0.00 WT3 H ATOM 45739 OH2 TIP3 7702 49.710 89.470 16.339 1.00 0.00 WT3 O ATOM 45740 H1 TIP3 7702 50.263 89.783 15.623 1.00 0.00 WT3 H ATOM 45741 H2 TIP3 7702 50.131 88.662 16.632 1.00 0.00 WT3 H ATOM 45742 OH2 TIP3 7704 85.149 78.141 5.900 1.00 0.00 WT3 O ATOM 45743 H1 TIP3 7704 84.863 77.573 6.615 1.00 0.00 WT3 H ATOM 45744 H2 TIP3 7704 85.698 77.580 5.352 1.00 0.00 WT3 H ATOM 45745 OH2 TIP3 7705 44.318 66.811 51.218 1.00 0.00 WT3 O ATOM 45746 H1 TIP3 7705 44.341 66.954 50.272 1.00 0.00 WT3 H ATOM 45747 H2 TIP3 7705 43.423 66.521 51.395 1.00 0.00 WT3 H ATOM 45748 OH2 TIP3 7706 52.387 78.346 14.957 1.00 0.00 WT3 O ATOM 45749 H1 TIP3 7706 51.480 78.078 14.812 1.00 0.00 WT3 H ATOM 45750 H2 TIP3 7706 52.528 79.063 14.338 1.00 0.00 WT3 H ATOM 45751 OH2 TIP3 7707 32.294 95.104 -17.293 1.00 0.00 WT3 O ATOM 45752 H1 TIP3 7707 33.161 94.855 -16.974 1.00 0.00 WT3 H ATOM 45753 H2 TIP3 7707 31.695 94.491 -16.867 1.00 0.00 WT3 H ATOM 45754 OH2 TIP3 7708 67.203 10.213 61.681 1.00 0.00 WT3 O ATOM 45755 H1 TIP3 7708 66.672 9.693 62.284 1.00 0.00 WT3 H ATOM 45756 H2 TIP3 7708 68.069 9.808 61.712 1.00 0.00 WT3 H ATOM 45757 OH2 TIP3 7709 82.944 21.373 43.801 1.00 0.00 WT3 O ATOM 45758 H1 TIP3 7709 83.792 21.775 43.613 1.00 0.00 WT3 H ATOM 45759 H2 TIP3 7709 82.417 22.084 44.166 1.00 0.00 WT3 H ATOM 45760 OH2 TIP3 7710 81.061 91.701 12.889 1.00 0.00 WT3 O ATOM 45761 H1 TIP3 7710 81.178 90.751 12.899 1.00 0.00 WT3 H ATOM 45762 H2 TIP3 7710 81.618 92.020 13.599 1.00 0.00 WT3 H ATOM 45763 OH2 TIP3 7712 69.439 11.641 -5.137 1.00 0.00 WT3 O ATOM 45764 H1 TIP3 7712 69.467 12.381 -5.744 1.00 0.00 WT3 H ATOM 45765 H2 TIP3 7712 69.490 12.040 -4.269 1.00 0.00 WT3 H ATOM 45766 OH2 TIP3 7713 55.839 21.286 53.077 1.00 0.00 WT3 O ATOM 45767 H1 TIP3 7713 55.976 22.045 52.510 1.00 0.00 WT3 H ATOM 45768 H2 TIP3 7713 55.708 20.556 52.472 1.00 0.00 WT3 H ATOM 45769 OH2 TIP3 7714 29.882 95.227 61.329 1.00 0.00 WT3 O ATOM 45770 H1 TIP3 7714 30.275 95.713 62.053 1.00 0.00 WT3 H ATOM 45771 H2 TIP3 7714 28.938 95.325 61.457 1.00 0.00 WT3 H ATOM 45772 OH2 TIP3 7716 54.049 15.036 2.632 1.00 0.00 WT3 O ATOM 45773 H1 TIP3 7716 53.624 14.429 2.026 1.00 0.00 WT3 H ATOM 45774 H2 TIP3 7716 54.461 15.689 2.067 1.00 0.00 WT3 H ATOM 45775 OH2 TIP3 7717 23.175 18.913 -12.700 1.00 0.00 WT3 O ATOM 45776 H1 TIP3 7717 22.448 19.165 -13.269 1.00 0.00 WT3 H ATOM 45777 H2 TIP3 7717 22.969 19.313 -11.855 1.00 0.00 WT3 H ATOM 45778 OH2 TIP3 7721 38.430 2.148 24.338 1.00 0.00 WT3 O ATOM 45779 H1 TIP3 7721 38.941 2.953 24.255 1.00 0.00 WT3 H ATOM 45780 H2 TIP3 7721 38.068 2.003 23.464 1.00 0.00 WT3 H ATOM 45781 OH2 TIP3 7722 75.674 13.357 4.525 1.00 0.00 WT3 O ATOM 45782 H1 TIP3 7722 76.537 13.426 4.934 1.00 0.00 WT3 H ATOM 45783 H2 TIP3 7722 75.679 14.025 3.839 1.00 0.00 WT3 H ATOM 45784 OH2 TIP3 7723 49.939 76.698 56.343 1.00 0.00 WT3 O ATOM 45785 H1 TIP3 7723 50.619 76.324 55.784 1.00 0.00 WT3 H ATOM 45786 H2 TIP3 7723 49.747 77.550 55.951 1.00 0.00 WT3 H ATOM 45787 OH2 TIP3 7724 30.501 85.542 59.147 1.00 0.00 WT3 O ATOM 45788 H1 TIP3 7724 30.373 85.063 58.329 1.00 0.00 WT3 H ATOM 45789 H2 TIP3 7724 30.404 86.463 58.903 1.00 0.00 WT3 H ATOM 45790 OH2 TIP3 7733 34.763 22.709 28.294 1.00 0.00 WT3 O ATOM 45791 H1 TIP3 7733 34.720 23.478 28.862 1.00 0.00 WT3 H ATOM 45792 H2 TIP3 7733 35.362 22.112 28.743 1.00 0.00 WT3 H ATOM 45793 OH2 TIP3 7734 35.222 67.644 28.582 1.00 0.00 WT3 O ATOM 45794 H1 TIP3 7734 36.141 67.486 28.367 1.00 0.00 WT3 H ATOM 45795 H2 TIP3 7734 34.956 68.351 27.995 1.00 0.00 WT3 H ATOM 45796 OH2 TIP3 7735 74.974 76.178 11.818 1.00 0.00 WT3 O ATOM 45797 H1 TIP3 7735 74.991 75.258 12.082 1.00 0.00 WT3 H ATOM 45798 H2 TIP3 7735 74.239 76.240 11.209 1.00 0.00 WT3 H ATOM 45799 OH2 TIP3 7739 72.673 2.844 50.653 1.00 0.00 WT3 O ATOM 45800 H1 TIP3 7739 72.723 2.235 49.916 1.00 0.00 WT3 H ATOM 45801 H2 TIP3 7739 72.490 3.693 50.250 1.00 0.00 WT3 H ATOM 45802 OH2 TIP3 7743 30.645 78.585 26.748 1.00 0.00 WT3 O ATOM 45803 H1 TIP3 7743 30.356 78.170 25.936 1.00 0.00 WT3 H ATOM 45804 H2 TIP3 7743 31.473 79.009 26.519 1.00 0.00 WT3 H ATOM 45805 OH2 TIP3 7744 52.146 52.385 21.842 1.00 0.00 WT3 O ATOM 45806 H1 TIP3 7744 51.777 51.831 21.153 1.00 0.00 WT3 H ATOM 45807 H2 TIP3 7744 52.629 53.063 21.370 1.00 0.00 WT3 H ATOM 45808 OH2 TIP3 7757 36.309 70.886 29.590 1.00 0.00 WT3 O ATOM 45809 H1 TIP3 7757 36.594 69.983 29.728 1.00 0.00 WT3 H ATOM 45810 H2 TIP3 7757 36.967 71.258 29.001 1.00 0.00 WT3 H ATOM 45811 OH2 TIP3 7791 55.619 71.331 60.943 1.00 0.00 WT3 O ATOM 45812 H1 TIP3 7791 56.457 71.451 61.389 1.00 0.00 WT3 H ATOM 45813 H2 TIP3 7791 55.195 70.615 61.416 1.00 0.00 WT3 H ATOM 45814 OH2 TIP3 7855 86.726 6.606 48.727 1.00 0.00 WT3 O ATOM 45815 H1 TIP3 7855 86.498 6.365 49.625 1.00 0.00 WT3 H ATOM 45816 H2 TIP3 7855 87.617 6.278 48.609 1.00 0.00 WT3 H ATOM 45817 OH2 TIP3 7867 55.930 89.168 51.104 1.00 0.00 WT3 O ATOM 45818 H1 TIP3 7867 56.202 89.103 50.188 1.00 0.00 WT3 H ATOM 45819 H2 TIP3 7867 56.414 88.472 51.548 1.00 0.00 WT3 H ATOM 45820 OH2 TIP3 7869 58.330 65.266 28.113 1.00 0.00 WT3 O ATOM 45821 H1 TIP3 7869 57.870 64.715 28.745 1.00 0.00 WT3 H ATOM 45822 H2 TIP3 7869 58.846 64.652 27.590 1.00 0.00 WT3 H ATOM 45823 OH2 TIP3 7872 54.118 32.385 0.833 1.00 0.00 WT3 O ATOM 45824 H1 TIP3 7872 53.450 32.824 1.359 1.00 0.00 WT3 H ATOM 45825 H2 TIP3 7872 53.642 31.700 0.364 1.00 0.00 WT3 H ATOM 45826 OH2 TIP3 7876 75.348 6.399 8.558 1.00 0.00 WT3 O ATOM 45827 H1 TIP3 7876 75.844 7.128 8.185 1.00 0.00 WT3 H ATOM 45828 H2 TIP3 7876 75.450 5.690 7.923 1.00 0.00 WT3 H ATOM 45829 OH2 TIP3 7883 58.129 43.308 -12.537 1.00 0.00 WT3 O ATOM 45830 H1 TIP3 7883 57.885 43.409 -11.617 1.00 0.00 WT3 H ATOM 45831 H2 TIP3 7883 57.368 42.895 -12.944 1.00 0.00 WT3 H ATOM 45832 OH2 TIP3 7886 67.079 68.118 30.498 1.00 0.00 WT3 O ATOM 45833 H1 TIP3 7886 67.759 67.962 29.843 1.00 0.00 WT3 H ATOM 45834 H2 TIP3 7886 66.596 67.293 30.544 1.00 0.00 WT3 H ATOM 45835 OH2 TIP3 7891 80.871 91.058 40.635 1.00 0.00 WT3 O ATOM 45836 H1 TIP3 7891 81.115 90.534 39.872 1.00 0.00 WT3 H ATOM 45837 H2 TIP3 7891 80.313 91.751 40.281 1.00 0.00 WT3 H ATOM 45838 OH2 TIP3 7894 49.520 25.401 38.505 1.00 0.00 WT3 O ATOM 45839 H1 TIP3 7894 48.871 26.024 38.830 1.00 0.00 WT3 H ATOM 45840 H2 TIP3 7894 49.012 24.769 37.996 1.00 0.00 WT3 H ATOM 45841 OH2 TIP3 7895 78.040 90.304 -2.591 1.00 0.00 WT3 O ATOM 45842 H1 TIP3 7895 78.818 90.219 -2.040 1.00 0.00 WT3 H ATOM 45843 H2 TIP3 7895 77.703 91.179 -2.398 1.00 0.00 WT3 H ATOM 45844 OH2 TIP3 7896 39.056 54.743 0.246 1.00 0.00 WT3 O ATOM 45845 H1 TIP3 7896 38.604 54.845 1.084 1.00 0.00 WT3 H ATOM 45846 H2 TIP3 7896 39.985 54.819 0.464 1.00 0.00 WT3 H ATOM 45847 OH2 TIP3 7897 38.263 92.096 49.153 1.00 0.00 WT3 O ATOM 45848 H1 TIP3 7897 37.311 92.081 49.250 1.00 0.00 WT3 H ATOM 45849 H2 TIP3 7897 38.451 92.944 48.751 1.00 0.00 WT3 H ATOM 45850 OH2 TIP3 7901 77.274 75.798 -1.579 1.00 0.00 WT3 O ATOM 45851 H1 TIP3 7901 77.550 76.654 -1.905 1.00 0.00 WT3 H ATOM 45852 H2 TIP3 7901 76.337 75.897 -1.407 1.00 0.00 WT3 H ATOM 45853 OH2 TIP3 7908 85.254 31.236 8.795 1.00 0.00 WT3 O ATOM 45854 H1 TIP3 7908 85.853 31.357 9.532 1.00 0.00 WT3 H ATOM 45855 H2 TIP3 7908 85.112 32.119 8.454 1.00 0.00 WT3 H ATOM 45856 OH2 TIP3 7915 80.489 46.374 39.943 1.00 0.00 WT3 O ATOM 45857 H1 TIP3 7915 81.261 46.467 40.501 1.00 0.00 WT3 H ATOM 45858 H2 TIP3 7915 79.773 46.193 40.551 1.00 0.00 WT3 H ATOM 45859 OH2 TIP3 7922 41.039 95.381 54.464 1.00 0.00 WT3 O ATOM 45860 H1 TIP3 7922 41.598 96.146 54.599 1.00 0.00 WT3 H ATOM 45861 H2 TIP3 7922 41.600 94.749 54.014 1.00 0.00 WT3 H ATOM 45862 OH2 TIP3 7923 62.463 69.426 -0.204 1.00 0.00 WT3 O ATOM 45863 H1 TIP3 7923 61.575 69.474 0.148 1.00 0.00 WT3 H ATOM 45864 H2 TIP3 7923 62.844 70.283 -0.013 1.00 0.00 WT3 H ATOM 45865 OH2 TIP3 7924 77.446 40.498 41.813 1.00 0.00 WT3 O ATOM 45866 H1 TIP3 7924 78.159 40.966 42.247 1.00 0.00 WT3 H ATOM 45867 H2 TIP3 7924 77.290 40.993 41.008 1.00 0.00 WT3 H ATOM 45868 OH2 TIP3 7926 63.250 0.763 14.372 1.00 0.00 WT3 O ATOM 45869 H1 TIP3 7926 63.122 0.849 15.317 1.00 0.00 WT3 H ATOM 45870 H2 TIP3 7926 62.436 0.369 14.056 1.00 0.00 WT3 H ATOM 45871 OH2 TIP3 7927 50.565 75.749 2.742 1.00 0.00 WT3 O ATOM 45872 H1 TIP3 7927 50.387 75.151 3.468 1.00 0.00 WT3 H ATOM 45873 H2 TIP3 7927 50.940 76.526 3.157 1.00 0.00 WT3 H ATOM 45874 OH2 TIP3 7929 30.406 86.254 2.681 1.00 0.00 WT3 O ATOM 45875 H1 TIP3 7929 30.952 86.996 2.942 1.00 0.00 WT3 H ATOM 45876 H2 TIP3 7929 30.796 85.501 3.127 1.00 0.00 WT3 H ATOM 45877 OH2 TIP3 7930 20.248 79.474 18.809 1.00 0.00 WT3 O ATOM 45878 H1 TIP3 7930 20.300 79.620 19.754 1.00 0.00 WT3 H ATOM 45879 H2 TIP3 7930 20.512 80.309 18.423 1.00 0.00 WT3 H ATOM 45880 OH2 TIP3 7931 66.273 32.941 -18.268 1.00 0.00 WT3 O ATOM 45881 H1 TIP3 7931 65.448 32.507 -18.487 1.00 0.00 WT3 H ATOM 45882 H2 TIP3 7931 66.008 33.762 -17.853 1.00 0.00 WT3 H ATOM 45883 OH2 TIP3 7932 34.639 13.187 15.546 1.00 0.00 WT3 O ATOM 45884 H1 TIP3 7932 35.391 12.874 16.049 1.00 0.00 WT3 H ATOM 45885 H2 TIP3 7932 34.433 14.040 15.929 1.00 0.00 WT3 H ATOM 45886 OH2 TIP3 7933 77.247 26.373 29.046 1.00 0.00 WT3 O ATOM 45887 H1 TIP3 7933 77.950 25.948 28.555 1.00 0.00 WT3 H ATOM 45888 H2 TIP3 7933 76.479 26.295 28.480 1.00 0.00 WT3 H ATOM 45889 OH2 TIP3 7937 72.292 90.142 43.397 1.00 0.00 WT3 O ATOM 45890 H1 TIP3 7937 72.779 90.539 42.675 1.00 0.00 WT3 H ATOM 45891 H2 TIP3 7937 71.750 89.471 42.982 1.00 0.00 WT3 H ATOM 45892 OH2 TIP3 7938 42.164 15.809 49.315 1.00 0.00 WT3 O ATOM 45893 H1 TIP3 7938 41.731 15.907 48.467 1.00 0.00 WT3 H ATOM 45894 H2 TIP3 7938 41.675 15.114 49.755 1.00 0.00 WT3 H ATOM 45895 OH2 TIP3 7939 83.730 5.785 41.461 1.00 0.00 WT3 O ATOM 45896 H1 TIP3 7939 83.591 5.726 40.516 1.00 0.00 WT3 H ATOM 45897 H2 TIP3 7939 84.590 5.389 41.602 1.00 0.00 WT3 H ATOM 45898 OH2 TIP3 7941 37.967 74.958 -17.939 1.00 0.00 WT3 O ATOM 45899 H1 TIP3 7941 38.427 75.751 -17.662 1.00 0.00 WT3 H ATOM 45900 H2 TIP3 7941 37.054 75.231 -18.030 1.00 0.00 WT3 H ATOM 45901 OH2 TIP3 7942 48.318 66.062 5.661 1.00 0.00 WT3 O ATOM 45902 H1 TIP3 7942 48.303 65.987 6.615 1.00 0.00 WT3 H ATOM 45903 H2 TIP3 7942 49.034 65.489 5.386 1.00 0.00 WT3 H ATOM 45904 OH2 TIP3 7943 51.248 78.659 5.457 1.00 0.00 WT3 O ATOM 45905 H1 TIP3 7943 52.136 78.382 5.229 1.00 0.00 WT3 H ATOM 45906 H2 TIP3 7943 50.925 77.971 6.038 1.00 0.00 WT3 H ATOM 45907 OH2 TIP3 7945 78.958 64.004 13.013 1.00 0.00 WT3 O ATOM 45908 H1 TIP3 7945 78.722 63.166 13.412 1.00 0.00 WT3 H ATOM 45909 H2 TIP3 7945 78.234 64.589 13.238 1.00 0.00 WT3 H ATOM 45910 OH2 TIP3 7947 65.179 93.739 28.160 1.00 0.00 WT3 O ATOM 45911 H1 TIP3 7947 65.376 94.599 28.529 1.00 0.00 WT3 H ATOM 45912 H2 TIP3 7947 65.983 93.234 28.285 1.00 0.00 WT3 H ATOM 45913 OH2 TIP3 7948 82.649 40.324 -16.576 1.00 0.00 WT3 O ATOM 45914 H1 TIP3 7948 82.395 41.245 -16.635 1.00 0.00 WT3 H ATOM 45915 H2 TIP3 7948 82.508 40.095 -15.657 1.00 0.00 WT3 H ATOM 45916 OH2 TIP3 7949 54.680 24.703 17.886 1.00 0.00 WT3 O ATOM 45917 H1 TIP3 7949 53.791 24.357 17.970 1.00 0.00 WT3 H ATOM 45918 H2 TIP3 7949 54.568 25.550 17.453 1.00 0.00 WT3 H ATOM 45919 OH2 TIP3 7950 75.714 67.780 32.062 1.00 0.00 WT3 O ATOM 45920 H1 TIP3 7950 75.163 67.724 31.282 1.00 0.00 WT3 H ATOM 45921 H2 TIP3 7950 75.465 67.019 32.587 1.00 0.00 WT3 H ATOM 45922 OH2 TIP3 7951 81.025 55.884 12.762 1.00 0.00 WT3 O ATOM 45923 H1 TIP3 7951 80.660 55.129 13.224 1.00 0.00 WT3 H ATOM 45924 H2 TIP3 7951 81.145 56.547 13.443 1.00 0.00 WT3 H ATOM 45925 OH2 TIP3 7952 48.868 59.774 9.566 1.00 0.00 WT3 O ATOM 45926 H1 TIP3 7952 49.773 59.955 9.313 1.00 0.00 WT3 H ATOM 45927 H2 TIP3 7952 48.865 59.853 10.520 1.00 0.00 WT3 H ATOM 45928 OH2 TIP3 7953 20.833 46.090 65.286 1.00 0.00 WT3 O ATOM 45929 H1 TIP3 7953 21.413 46.775 64.954 1.00 0.00 WT3 H ATOM 45930 H2 TIP3 7953 21.343 45.284 65.206 1.00 0.00 WT3 H ATOM 45931 OH2 TIP3 7955 68.964 6.576 8.582 1.00 0.00 WT3 O ATOM 45932 H1 TIP3 7955 69.115 6.969 7.722 1.00 0.00 WT3 H ATOM 45933 H2 TIP3 7955 68.438 7.223 9.053 1.00 0.00 WT3 H ATOM 45934 OH2 TIP3 7957 47.998 90.976 35.200 1.00 0.00 WT3 O ATOM 45935 H1 TIP3 7957 47.856 90.578 34.342 1.00 0.00 WT3 H ATOM 45936 H2 TIP3 7957 47.393 91.718 35.224 1.00 0.00 WT3 H ATOM 45937 OH2 TIP3 7958 70.190 94.467 56.997 1.00 0.00 WT3 O ATOM 45938 H1 TIP3 7958 70.479 95.087 56.327 1.00 0.00 WT3 H ATOM 45939 H2 TIP3 7958 71.000 94.136 57.383 1.00 0.00 WT3 H ATOM 45940 OH2 TIP3 7960 33.343 22.605 -13.902 1.00 0.00 WT3 O ATOM 45941 H1 TIP3 7960 33.675 22.035 -14.596 1.00 0.00 WT3 H ATOM 45942 H2 TIP3 7960 32.528 22.191 -13.620 1.00 0.00 WT3 H ATOM 45943 OH2 TIP3 7961 43.101 17.726 -17.837 1.00 0.00 WT3 O ATOM 45944 H1 TIP3 7961 43.484 17.800 -16.962 1.00 0.00 WT3 H ATOM 45945 H2 TIP3 7961 43.620 17.049 -18.270 1.00 0.00 WT3 H ATOM 45946 OH2 TIP3 7962 22.585 58.875 57.346 1.00 0.00 WT3 O ATOM 45947 H1 TIP3 7962 22.492 59.391 56.546 1.00 0.00 WT3 H ATOM 45948 H2 TIP3 7962 23.431 59.142 57.707 1.00 0.00 WT3 H ATOM 45949 OH2 TIP3 7963 42.357 40.569 1.082 1.00 0.00 WT3 O ATOM 45950 H1 TIP3 7963 41.816 39.912 1.522 1.00 0.00 WT3 H ATOM 45951 H2 TIP3 7963 42.849 40.986 1.789 1.00 0.00 WT3 H ATOM 45952 OH2 TIP3 7964 89.823 7.988 0.595 1.00 0.00 WT3 O ATOM 45953 H1 TIP3 7964 90.274 8.816 0.764 1.00 0.00 WT3 H ATOM 45954 H2 TIP3 7964 90.528 7.355 0.457 1.00 0.00 WT3 H ATOM 45955 OH2 TIP3 7965 21.162 53.519 0.874 1.00 0.00 WT3 O ATOM 45956 H1 TIP3 7965 21.663 53.170 0.137 1.00 0.00 WT3 H ATOM 45957 H2 TIP3 7965 20.325 53.055 0.837 1.00 0.00 WT3 H ATOM 45958 OH2 TIP3 7966 76.167 43.872 16.860 1.00 0.00 WT3 O ATOM 45959 H1 TIP3 7966 76.616 44.452 17.476 1.00 0.00 WT3 H ATOM 45960 H2 TIP3 7966 76.695 43.074 16.854 1.00 0.00 WT3 H ATOM 45961 OH2 TIP3 7967 52.571 94.628 41.005 1.00 0.00 WT3 O ATOM 45962 H1 TIP3 7967 52.304 93.957 41.634 1.00 0.00 WT3 H ATOM 45963 H2 TIP3 7967 51.917 94.576 40.308 1.00 0.00 WT3 H ATOM 45964 OH2 TIP3 7969 51.943 96.436 24.036 1.00 0.00 WT3 O ATOM 45965 H1 TIP3 7969 51.996 97.217 23.486 1.00 0.00 WT3 H ATOM 45966 H2 TIP3 7969 51.822 95.715 23.418 1.00 0.00 WT3 H ATOM 45967 OH2 TIP3 7970 81.123 79.110 19.634 1.00 0.00 WT3 O ATOM 45968 H1 TIP3 7970 80.961 78.196 19.872 1.00 0.00 WT3 H ATOM 45969 H2 TIP3 7970 81.879 79.365 20.164 1.00 0.00 WT3 H ATOM 45970 OH2 TIP3 7973 88.290 84.570 60.573 1.00 0.00 WT3 O ATOM 45971 H1 TIP3 7973 88.033 84.239 59.712 1.00 0.00 WT3 H ATOM 45972 H2 TIP3 7973 88.583 83.794 61.051 1.00 0.00 WT3 H ATOM 45973 OH2 TIP3 7974 21.279 8.323 -15.576 1.00 0.00 WT3 O ATOM 45974 H1 TIP3 7974 20.693 7.746 -16.066 1.00 0.00 WT3 H ATOM 45975 H2 TIP3 7974 20.910 8.346 -14.693 1.00 0.00 WT3 H ATOM 45976 OH2 TIP3 7976 68.111 77.779 8.793 1.00 0.00 WT3 O ATOM 45977 H1 TIP3 7976 68.395 77.567 9.682 1.00 0.00 WT3 H ATOM 45978 H2 TIP3 7976 67.615 77.010 8.510 1.00 0.00 WT3 H ATOM 45979 OH2 TIP3 7978 61.786 68.277 61.850 1.00 0.00 WT3 O ATOM 45980 H1 TIP3 7978 62.531 67.770 62.173 1.00 0.00 WT3 H ATOM 45981 H2 TIP3 7978 61.790 68.133 60.903 1.00 0.00 WT3 H ATOM 45982 OH2 TIP3 7980 48.332 69.550 9.368 1.00 0.00 WT3 O ATOM 45983 H1 TIP3 7980 49.259 69.759 9.484 1.00 0.00 WT3 H ATOM 45984 H2 TIP3 7980 47.869 70.234 9.852 1.00 0.00 WT3 H ATOM 45985 OH2 TIP3 7981 44.073 69.678 61.308 1.00 0.00 WT3 O ATOM 45986 H1 TIP3 7981 43.446 69.024 61.618 1.00 0.00 WT3 H ATOM 45987 H2 TIP3 7981 43.768 69.905 60.430 1.00 0.00 WT3 H ATOM 45988 OH2 TIP3 7982 39.879 84.999 -17.111 1.00 0.00 WT3 O ATOM 45989 H1 TIP3 7982 39.703 84.754 -18.020 1.00 0.00 WT3 H ATOM 45990 H2 TIP3 7982 40.004 84.166 -16.658 1.00 0.00 WT3 H ATOM 45991 OH2 TIP3 7983 33.159 20.296 31.455 1.00 0.00 WT3 O ATOM 45992 H1 TIP3 7983 32.532 20.486 30.758 1.00 0.00 WT3 H ATOM 45993 H2 TIP3 7983 33.565 21.141 31.649 1.00 0.00 WT3 H ATOM 45994 OH2 TIP3 7984 70.627 85.551 -15.576 1.00 0.00 WT3 O ATOM 45995 H1 TIP3 7984 70.024 84.898 -15.931 1.00 0.00 WT3 H ATOM 45996 H2 TIP3 7984 71.486 85.130 -15.611 1.00 0.00 WT3 H ATOM 45997 OH2 TIP3 7985 69.391 76.647 52.236 1.00 0.00 WT3 O ATOM 45998 H1 TIP3 7985 68.799 77.154 52.791 1.00 0.00 WT3 H ATOM 45999 H2 TIP3 7985 68.911 76.531 51.416 1.00 0.00 WT3 H ATOM 46000 OH2 TIP3 7986 22.414 67.958 48.413 1.00 0.00 WT3 O ATOM 46001 H1 TIP3 7986 23.203 67.682 47.947 1.00 0.00 WT3 H ATOM 46002 H2 TIP3 7986 22.734 68.298 49.248 1.00 0.00 WT3 H ATOM 46003 OH2 TIP3 7987 27.273 65.242 -14.028 1.00 0.00 WT3 O ATOM 46004 H1 TIP3 7987 28.128 64.985 -13.684 1.00 0.00 WT3 H ATOM 46005 H2 TIP3 7987 27.356 65.145 -14.977 1.00 0.00 WT3 H ATOM 46006 OH2 TIP3 7988 57.695 5.637 -6.281 1.00 0.00 WT3 O ATOM 46007 H1 TIP3 7988 57.279 6.473 -6.490 1.00 0.00 WT3 H ATOM 46008 H2 TIP3 7988 57.882 5.690 -5.344 1.00 0.00 WT3 H ATOM 46009 OH2 TIP3 7989 76.149 31.885 -7.031 1.00 0.00 WT3 O ATOM 46010 H1 TIP3 7989 76.848 31.860 -6.377 1.00 0.00 WT3 H ATOM 46011 H2 TIP3 7989 75.342 31.928 -6.518 1.00 0.00 WT3 H ATOM 46012 OH2 TIP3 7990 86.102 21.149 5.927 1.00 0.00 WT3 O ATOM 46013 H1 TIP3 7990 86.511 20.455 6.444 1.00 0.00 WT3 H ATOM 46014 H2 TIP3 7990 86.160 20.841 5.022 1.00 0.00 WT3 H ATOM 46015 OH2 TIP3 7991 41.592 88.174 10.376 1.00 0.00 WT3 O ATOM 46016 H1 TIP3 7991 41.120 87.357 10.542 1.00 0.00 WT3 H ATOM 46017 H2 TIP3 7991 42.134 87.986 9.610 1.00 0.00 WT3 H ATOM 46018 OH2 TIP3 7992 25.356 36.728 61.345 1.00 0.00 WT3 O ATOM 46019 H1 TIP3 7992 25.869 37.534 61.290 1.00 0.00 WT3 H ATOM 46020 H2 TIP3 7992 25.508 36.289 60.507 1.00 0.00 WT3 H ATOM 46021 OH2 TIP3 7993 45.413 55.424 64.455 1.00 0.00 WT3 O ATOM 46022 H1 TIP3 7993 46.179 54.855 64.535 1.00 0.00 WT3 H ATOM 46023 H2 TIP3 7993 45.430 55.723 63.546 1.00 0.00 WT3 H ATOM 46024 OH2 TIP3 7995 82.788 68.879 39.130 1.00 0.00 WT3 O ATOM 46025 H1 TIP3 7995 82.959 67.942 39.225 1.00 0.00 WT3 H ATOM 46026 H2 TIP3 7995 83.268 69.131 38.341 1.00 0.00 WT3 H ATOM 46027 OH2 TIP3 7996 86.583 0.267 3.247 1.00 0.00 WT3 O ATOM 46028 H1 TIP3 7996 86.649 -0.174 2.399 1.00 0.00 WT3 H ATOM 46029 H2 TIP3 7996 85.932 0.956 3.109 1.00 0.00 WT3 H ATOM 46030 OH2 TIP3 7997 79.785 57.798 30.181 1.00 0.00 WT3 O ATOM 46031 H1 TIP3 7997 79.254 58.418 30.682 1.00 0.00 WT3 H ATOM 46032 H2 TIP3 7997 79.150 57.189 29.804 1.00 0.00 WT3 H ATOM 46033 OH2 TIP3 7999 73.180 65.548 -17.521 1.00 0.00 WT3 O ATOM 46034 H1 TIP3 7999 73.934 65.909 -17.988 1.00 0.00 WT3 H ATOM 46035 H2 TIP3 7999 72.955 64.754 -18.006 1.00 0.00 WT3 H ATOM 46036 OH2 TIP3 8001 75.143 86.262 -18.327 1.00 0.00 WT3 O ATOM 46037 H1 TIP3 8001 75.038 85.878 -17.457 1.00 0.00 WT3 H ATOM 46038 H2 TIP3 8001 74.383 86.834 -18.430 1.00 0.00 WT3 H ATOM 46039 OH2 TIP3 8002 82.315 43.926 -1.984 1.00 0.00 WT3 O ATOM 46040 H1 TIP3 8002 81.870 43.781 -2.820 1.00 0.00 WT3 H ATOM 46041 H2 TIP3 8002 81.633 44.267 -1.406 1.00 0.00 WT3 H ATOM 46042 OH2 TIP3 8003 51.271 87.414 20.859 1.00 0.00 WT3 O ATOM 46043 H1 TIP3 8003 51.345 87.213 21.792 1.00 0.00 WT3 H ATOM 46044 H2 TIP3 8003 51.913 86.841 20.439 1.00 0.00 WT3 H ATOM 46045 OH2 TIP3 8004 74.321 96.093 63.863 1.00 0.00 WT3 O ATOM 46046 H1 TIP3 8004 74.198 96.354 64.775 1.00 0.00 WT3 H ATOM 46047 H2 TIP3 8004 75.027 96.655 63.544 1.00 0.00 WT3 H ATOM 46048 OH2 TIP3 8005 48.905 95.524 23.885 1.00 0.00 WT3 O ATOM 46049 H1 TIP3 8005 48.122 96.073 23.921 1.00 0.00 WT3 H ATOM 46050 H2 TIP3 8005 49.461 95.942 23.226 1.00 0.00 WT3 H ATOM 46051 OH2 TIP3 8006 29.817 58.992 24.856 1.00 0.00 WT3 O ATOM 46052 H1 TIP3 8006 30.174 59.783 25.260 1.00 0.00 WT3 H ATOM 46053 H2 TIP3 8006 30.013 59.090 23.924 1.00 0.00 WT3 H ATOM 46054 OH2 TIP3 8007 62.302 48.827 13.485 1.00 0.00 WT3 O ATOM 46055 H1 TIP3 8007 62.271 49.693 13.892 1.00 0.00 WT3 H ATOM 46056 H2 TIP3 8007 61.429 48.462 13.630 1.00 0.00 WT3 H ATOM 46057 OH2 TIP3 8008 52.004 68.953 53.408 1.00 0.00 WT3 O ATOM 46058 H1 TIP3 8008 51.891 69.365 52.552 1.00 0.00 WT3 H ATOM 46059 H2 TIP3 8008 51.917 68.015 53.237 1.00 0.00 WT3 H ATOM 46060 OH2 TIP3 8009 90.304 44.836 17.108 1.00 0.00 WT3 O ATOM 46061 H1 TIP3 8009 90.658 43.952 17.202 1.00 0.00 WT3 H ATOM 46062 H2 TIP3 8009 90.830 45.370 17.704 1.00 0.00 WT3 H ATOM 46063 OH2 TIP3 8011 64.494 3.376 61.513 1.00 0.00 WT3 O ATOM 46064 H1 TIP3 8011 65.061 3.285 62.279 1.00 0.00 WT3 H ATOM 46065 H2 TIP3 8011 64.874 4.102 61.018 1.00 0.00 WT3 H ATOM 46066 OH2 TIP3 8013 70.076 58.357 40.082 1.00 0.00 WT3 O ATOM 46067 H1 TIP3 8013 69.363 58.916 40.389 1.00 0.00 WT3 H ATOM 46068 H2 TIP3 8013 70.209 57.727 40.790 1.00 0.00 WT3 H ATOM 46069 OH2 TIP3 8014 89.403 46.910 -14.264 1.00 0.00 WT3 O ATOM 46070 H1 TIP3 8014 89.645 46.948 -13.339 1.00 0.00 WT3 H ATOM 46071 H2 TIP3 8014 88.448 46.843 -14.260 1.00 0.00 WT3 H ATOM 46072 OH2 TIP3 8016 26.065 89.075 -0.535 1.00 0.00 WT3 O ATOM 46073 H1 TIP3 8016 26.179 89.951 -0.167 1.00 0.00 WT3 H ATOM 46074 H2 TIP3 8016 25.453 88.642 0.061 1.00 0.00 WT3 H ATOM 46075 OH2 TIP3 8017 25.162 32.564 13.292 1.00 0.00 WT3 O ATOM 46076 H1 TIP3 8017 25.644 33.380 13.425 1.00 0.00 WT3 H ATOM 46077 H2 TIP3 8017 24.305 32.725 13.687 1.00 0.00 WT3 H ATOM 46078 OH2 TIP3 8018 69.935 67.898 65.736 1.00 0.00 WT3 O ATOM 46079 H1 TIP3 8018 69.144 67.434 65.460 1.00 0.00 WT3 H ATOM 46080 H2 TIP3 8018 70.165 68.446 64.986 1.00 0.00 WT3 H ATOM 46081 OH2 TIP3 8019 89.049 75.886 3.596 1.00 0.00 WT3 O ATOM 46082 H1 TIP3 8019 89.686 75.173 3.645 1.00 0.00 WT3 H ATOM 46083 H2 TIP3 8019 89.509 76.643 3.959 1.00 0.00 WT3 H ATOM 46084 OH2 TIP3 8022 70.110 50.589 12.110 1.00 0.00 WT3 O ATOM 46085 H1 TIP3 8022 69.155 50.533 12.141 1.00 0.00 WT3 H ATOM 46086 H2 TIP3 8022 70.287 51.334 11.535 1.00 0.00 WT3 H ATOM 46087 OH2 TIP3 8023 31.838 91.972 -7.098 1.00 0.00 WT3 O ATOM 46088 H1 TIP3 8023 32.148 91.074 -6.985 1.00 0.00 WT3 H ATOM 46089 H2 TIP3 8023 31.291 91.941 -7.883 1.00 0.00 WT3 H ATOM 46090 OH2 TIP3 8024 37.724 58.898 6.769 1.00 0.00 WT3 O ATOM 46091 H1 TIP3 8024 38.282 58.267 7.224 1.00 0.00 WT3 H ATOM 46092 H2 TIP3 8024 36.846 58.735 7.114 1.00 0.00 WT3 H ATOM 46093 OH2 TIP3 8025 89.171 69.293 40.882 1.00 0.00 WT3 O ATOM 46094 H1 TIP3 8025 88.809 68.591 41.423 1.00 0.00 WT3 H ATOM 46095 H2 TIP3 8025 90.036 69.461 41.255 1.00 0.00 WT3 H ATOM 46096 OH2 TIP3 8026 23.131 39.637 42.143 1.00 0.00 WT3 O ATOM 46097 H1 TIP3 8026 23.050 40.154 41.342 1.00 0.00 WT3 H ATOM 46098 H2 TIP3 8026 22.234 39.554 42.467 1.00 0.00 WT3 H ATOM 46099 OH2 TIP3 8027 79.781 22.915 62.031 1.00 0.00 WT3 O ATOM 46100 H1 TIP3 8027 79.754 23.515 62.776 1.00 0.00 WT3 H ATOM 46101 H2 TIP3 8027 80.641 22.499 62.088 1.00 0.00 WT3 H ATOM 46102 OH2 TIP3 8028 65.142 43.052 35.179 1.00 0.00 WT3 O ATOM 46103 H1 TIP3 8028 65.382 43.296 34.285 1.00 0.00 WT3 H ATOM 46104 H2 TIP3 8028 64.700 43.825 35.528 1.00 0.00 WT3 H ATOM 46105 OH2 TIP3 8029 68.823 54.118 -13.000 1.00 0.00 WT3 O ATOM 46106 H1 TIP3 8029 69.201 53.410 -13.522 1.00 0.00 WT3 H ATOM 46107 H2 TIP3 8029 69.247 54.039 -12.146 1.00 0.00 WT3 H ATOM 46108 OH2 TIP3 8030 67.377 26.639 -16.640 1.00 0.00 WT3 O ATOM 46109 H1 TIP3 8030 66.452 26.424 -16.522 1.00 0.00 WT3 H ATOM 46110 H2 TIP3 8030 67.433 27.574 -16.444 1.00 0.00 WT3 H ATOM 46111 OH2 TIP3 8032 32.663 95.638 43.379 1.00 0.00 WT3 O ATOM 46112 H1 TIP3 8032 32.215 95.324 44.165 1.00 0.00 WT3 H ATOM 46113 H2 TIP3 8032 33.568 95.343 43.485 1.00 0.00 WT3 H ATOM 46114 OH2 TIP3 8034 67.843 72.775 34.194 1.00 0.00 WT3 O ATOM 46115 H1 TIP3 8034 68.275 73.055 33.387 1.00 0.00 WT3 H ATOM 46116 H2 TIP3 8034 67.337 72.003 33.940 1.00 0.00 WT3 H ATOM 46117 OH2 TIP3 8035 41.738 92.658 18.785 1.00 0.00 WT3 O ATOM 46118 H1 TIP3 8035 42.606 92.269 18.897 1.00 0.00 WT3 H ATOM 46119 H2 TIP3 8035 41.373 92.215 18.020 1.00 0.00 WT3 H ATOM 46120 OH2 TIP3 8036 20.336 62.438 14.064 1.00 0.00 WT3 O ATOM 46121 H1 TIP3 8036 20.164 62.207 14.977 1.00 0.00 WT3 H ATOM 46122 H2 TIP3 8036 21.271 62.274 13.947 1.00 0.00 WT3 H ATOM 46123 OH2 TIP3 8037 27.057 50.517 -14.634 1.00 0.00 WT3 O ATOM 46124 H1 TIP3 8037 27.796 50.947 -15.065 1.00 0.00 WT3 H ATOM 46125 H2 TIP3 8037 27.085 50.836 -13.733 1.00 0.00 WT3 H ATOM 46126 OH2 TIP3 8038 21.823 81.215 60.804 1.00 0.00 WT3 O ATOM 46127 H1 TIP3 8038 22.554 80.613 60.941 1.00 0.00 WT3 H ATOM 46128 H2 TIP3 8038 21.814 81.766 61.587 1.00 0.00 WT3 H ATOM 46129 OH2 TIP3 8039 47.165 22.108 30.392 1.00 0.00 WT3 O ATOM 46130 H1 TIP3 8039 46.554 21.414 30.144 1.00 0.00 WT3 H ATOM 46131 H2 TIP3 8039 47.051 22.780 29.719 1.00 0.00 WT3 H ATOM 46132 OH2 TIP3 8040 87.974 60.084 49.474 1.00 0.00 WT3 O ATOM 46133 H1 TIP3 8040 87.469 60.706 49.998 1.00 0.00 WT3 H ATOM 46134 H2 TIP3 8040 88.277 59.430 50.104 1.00 0.00 WT3 H ATOM 46135 OH2 TIP3 8041 53.161 19.163 54.730 1.00 0.00 WT3 O ATOM 46136 H1 TIP3 8041 53.913 19.340 54.165 1.00 0.00 WT3 H ATOM 46137 H2 TIP3 8041 52.421 19.573 54.281 1.00 0.00 WT3 H ATOM 46138 OH2 TIP3 8042 20.867 50.828 7.408 1.00 0.00 WT3 O ATOM 46139 H1 TIP3 8042 20.964 51.275 8.249 1.00 0.00 WT3 H ATOM 46140 H2 TIP3 8042 20.635 49.929 7.639 1.00 0.00 WT3 H ATOM 46141 OH2 TIP3 8043 83.316 5.557 -5.176 1.00 0.00 WT3 O ATOM 46142 H1 TIP3 8043 82.525 5.741 -5.682 1.00 0.00 WT3 H ATOM 46143 H2 TIP3 8043 83.022 5.546 -4.265 1.00 0.00 WT3 H ATOM 46144 OH2 TIP3 8045 73.202 36.382 30.567 1.00 0.00 WT3 O ATOM 46145 H1 TIP3 8045 74.130 36.463 30.348 1.00 0.00 WT3 H ATOM 46146 H2 TIP3 8045 73.192 35.890 31.388 1.00 0.00 WT3 H ATOM 46147 OH2 TIP3 8046 60.194 84.569 1.584 1.00 0.00 WT3 O ATOM 46148 H1 TIP3 8046 60.327 84.405 2.518 1.00 0.00 WT3 H ATOM 46149 H2 TIP3 8046 59.704 85.390 1.552 1.00 0.00 WT3 H ATOM 46150 OH2 TIP3 8047 84.244 30.597 -17.044 1.00 0.00 WT3 O ATOM 46151 H1 TIP3 8047 84.442 30.984 -16.192 1.00 0.00 WT3 H ATOM 46152 H2 TIP3 8047 84.935 30.921 -17.622 1.00 0.00 WT3 H ATOM 46153 OH2 TIP3 8049 79.432 57.637 19.501 1.00 0.00 WT3 O ATOM 46154 H1 TIP3 8049 80.326 57.391 19.262 1.00 0.00 WT3 H ATOM 46155 H2 TIP3 8049 79.136 58.192 18.779 1.00 0.00 WT3 H ATOM 46156 OH2 TIP3 8051 48.045 42.470 -14.137 1.00 0.00 WT3 O ATOM 46157 H1 TIP3 8051 48.113 42.023 -14.981 1.00 0.00 WT3 H ATOM 46158 H2 TIP3 8051 48.128 41.772 -13.488 1.00 0.00 WT3 H ATOM 46159 OH2 TIP3 8052 47.383 9.329 12.387 1.00 0.00 WT3 O ATOM 46160 H1 TIP3 8052 46.968 9.850 13.074 1.00 0.00 WT3 H ATOM 46161 H2 TIP3 8052 48.291 9.632 12.373 1.00 0.00 WT3 H ATOM 46162 OH2 TIP3 8053 60.809 90.287 5.664 1.00 0.00 WT3 O ATOM 46163 H1 TIP3 8053 60.066 90.715 6.089 1.00 0.00 WT3 H ATOM 46164 H2 TIP3 8053 60.777 89.383 5.977 1.00 0.00 WT3 H ATOM 46165 OH2 TIP3 8054 51.292 76.065 45.097 1.00 0.00 WT3 O ATOM 46166 H1 TIP3 8054 50.891 75.632 44.344 1.00 0.00 WT3 H ATOM 46167 H2 TIP3 8054 50.692 75.890 45.822 1.00 0.00 WT3 H ATOM 46168 OH2 TIP3 8055 37.112 31.498 38.989 1.00 0.00 WT3 O ATOM 46169 H1 TIP3 8055 36.542 30.875 38.538 1.00 0.00 WT3 H ATOM 46170 H2 TIP3 8055 37.935 31.466 38.501 1.00 0.00 WT3 H ATOM 46171 OH2 TIP3 8056 84.288 76.140 -3.242 1.00 0.00 WT3 O ATOM 46172 H1 TIP3 8056 84.800 76.058 -2.438 1.00 0.00 WT3 H ATOM 46173 H2 TIP3 8056 84.847 75.765 -3.922 1.00 0.00 WT3 H ATOM 46174 OH2 TIP3 8057 38.312 85.087 -6.996 1.00 0.00 WT3 O ATOM 46175 H1 TIP3 8057 39.257 84.976 -7.101 1.00 0.00 WT3 H ATOM 46176 H2 TIP3 8057 37.989 85.247 -7.883 1.00 0.00 WT3 H ATOM 46177 OH2 TIP3 8058 72.287 2.144 12.108 1.00 0.00 WT3 O ATOM 46178 H1 TIP3 8058 71.646 1.582 11.672 1.00 0.00 WT3 H ATOM 46179 H2 TIP3 8058 72.134 2.003 13.042 1.00 0.00 WT3 H ATOM 46180 OH2 TIP3 8059 42.328 83.874 43.528 1.00 0.00 WT3 O ATOM 46181 H1 TIP3 8059 42.107 83.278 44.243 1.00 0.00 WT3 H ATOM 46182 H2 TIP3 8059 43.136 84.302 43.813 1.00 0.00 WT3 H ATOM 46183 OH2 TIP3 8060 82.312 59.788 50.701 1.00 0.00 WT3 O ATOM 46184 H1 TIP3 8060 83.133 59.730 50.211 1.00 0.00 WT3 H ATOM 46185 H2 TIP3 8060 81.667 60.072 50.054 1.00 0.00 WT3 H ATOM 46186 OH2 TIP3 8061 54.246 22.879 -6.439 1.00 0.00 WT3 O ATOM 46187 H1 TIP3 8061 54.824 22.132 -6.595 1.00 0.00 WT3 H ATOM 46188 H2 TIP3 8061 54.136 22.903 -5.488 1.00 0.00 WT3 H ATOM 46189 OH2 TIP3 8062 48.700 68.753 57.858 1.00 0.00 WT3 O ATOM 46190 H1 TIP3 8062 48.703 69.646 57.513 1.00 0.00 WT3 H ATOM 46191 H2 TIP3 8062 49.625 68.509 57.902 1.00 0.00 WT3 H ATOM 46192 OH2 TIP3 8063 88.495 24.139 56.380 1.00 0.00 WT3 O ATOM 46193 H1 TIP3 8063 87.733 24.268 55.817 1.00 0.00 WT3 H ATOM 46194 H2 TIP3 8063 88.501 24.904 56.956 1.00 0.00 WT3 H ATOM 46195 OH2 TIP3 8064 84.128 58.932 0.839 1.00 0.00 WT3 O ATOM 46196 H1 TIP3 8064 83.321 59.448 0.846 1.00 0.00 WT3 H ATOM 46197 H2 TIP3 8064 83.935 58.178 1.396 1.00 0.00 WT3 H ATOM 46198 OH2 TIP3 8065 36.396 22.027 21.246 1.00 0.00 WT3 O ATOM 46199 H1 TIP3 8065 36.919 22.133 20.451 1.00 0.00 WT3 H ATOM 46200 H2 TIP3 8065 36.334 21.080 21.368 1.00 0.00 WT3 H ATOM 46201 OH2 TIP3 8066 69.105 63.541 44.159 1.00 0.00 WT3 O ATOM 46202 H1 TIP3 8066 69.283 63.226 43.273 1.00 0.00 WT3 H ATOM 46203 H2 TIP3 8066 68.150 63.560 44.220 1.00 0.00 WT3 H ATOM 46204 OH2 TIP3 8067 23.009 53.286 -3.909 1.00 0.00 WT3 O ATOM 46205 H1 TIP3 8067 23.444 52.508 -4.260 1.00 0.00 WT3 H ATOM 46206 H2 TIP3 8067 22.485 53.617 -4.639 1.00 0.00 WT3 H ATOM 46207 OH2 TIP3 8068 67.694 93.803 1.860 1.00 0.00 WT3 O ATOM 46208 H1 TIP3 8068 66.996 93.521 1.268 1.00 0.00 WT3 H ATOM 46209 H2 TIP3 8068 67.406 94.657 2.182 1.00 0.00 WT3 H ATOM 46210 OH2 TIP3 8069 77.874 30.986 -19.164 1.00 0.00 WT3 O ATOM 46211 H1 TIP3 8069 77.621 30.929 -20.086 1.00 0.00 WT3 H ATOM 46212 H2 TIP3 8069 78.809 30.781 -19.160 1.00 0.00 WT3 H ATOM 46213 OH2 TIP3 8070 55.366 33.596 6.682 1.00 0.00 WT3 O ATOM 46214 H1 TIP3 8070 54.994 33.295 7.512 1.00 0.00 WT3 H ATOM 46215 H2 TIP3 8070 56.242 33.905 6.910 1.00 0.00 WT3 H ATOM 46216 OH2 TIP3 8071 90.325 73.742 41.732 1.00 0.00 WT3 O ATOM 46217 H1 TIP3 8071 90.420 74.365 41.011 1.00 0.00 WT3 H ATOM 46218 H2 TIP3 8071 89.498 73.294 41.554 1.00 0.00 WT3 H ATOM 46219 OH2 TIP3 8073 81.616 63.267 -16.607 1.00 0.00 WT3 O ATOM 46220 H1 TIP3 8073 81.453 63.818 -17.373 1.00 0.00 WT3 H ATOM 46221 H2 TIP3 8073 82.467 62.864 -16.779 1.00 0.00 WT3 H ATOM 46222 OH2 TIP3 8074 38.496 22.203 63.303 1.00 0.00 WT3 O ATOM 46223 H1 TIP3 8074 38.218 22.887 63.913 1.00 0.00 WT3 H ATOM 46224 H2 TIP3 8074 38.249 21.384 63.732 1.00 0.00 WT3 H ATOM 46225 OH2 TIP3 8075 36.368 12.776 25.316 1.00 0.00 WT3 O ATOM 46226 H1 TIP3 8075 35.449 13.022 25.426 1.00 0.00 WT3 H ATOM 46227 H2 TIP3 8075 36.790 13.567 24.981 1.00 0.00 WT3 H ATOM 46228 OH2 TIP3 8076 62.488 70.741 -14.927 1.00 0.00 WT3 O ATOM 46229 H1 TIP3 8076 63.129 71.297 -14.482 1.00 0.00 WT3 H ATOM 46230 H2 TIP3 8076 61.757 70.679 -14.312 1.00 0.00 WT3 H ATOM 46231 OH2 TIP3 8077 66.693 2.717 22.736 1.00 0.00 WT3 O ATOM 46232 H1 TIP3 8077 66.066 3.431 22.849 1.00 0.00 WT3 H ATOM 46233 H2 TIP3 8077 66.596 2.185 23.526 1.00 0.00 WT3 H ATOM 46234 OH2 TIP3 8079 78.769 26.031 7.068 1.00 0.00 WT3 O ATOM 46235 H1 TIP3 8079 78.368 25.254 7.456 1.00 0.00 WT3 H ATOM 46236 H2 TIP3 8079 79.067 26.547 7.817 1.00 0.00 WT3 H ATOM 46237 OH2 TIP3 8080 71.962 0.697 14.739 1.00 0.00 WT3 O ATOM 46238 H1 TIP3 8080 72.323 0.514 15.606 1.00 0.00 WT3 H ATOM 46239 H2 TIP3 8080 72.447 0.120 14.150 1.00 0.00 WT3 H ATOM 46240 OH2 TIP3 8081 77.137 70.131 -17.860 1.00 0.00 WT3 O ATOM 46241 H1 TIP3 8081 77.541 69.854 -17.038 1.00 0.00 WT3 H ATOM 46242 H2 TIP3 8081 76.572 70.864 -17.615 1.00 0.00 WT3 H ATOM 46243 OH2 TIP3 8082 64.751 5.547 27.886 1.00 0.00 WT3 O ATOM 46244 H1 TIP3 8082 65.629 5.287 28.164 1.00 0.00 WT3 H ATOM 46245 H2 TIP3 8082 64.294 5.757 28.700 1.00 0.00 WT3 H ATOM 46246 OH2 TIP3 8083 35.086 89.219 27.912 1.00 0.00 WT3 O ATOM 46247 H1 TIP3 8083 35.667 88.474 28.067 1.00 0.00 WT3 H ATOM 46248 H2 TIP3 8083 35.106 89.346 26.964 1.00 0.00 WT3 H ATOM 46249 OH2 TIP3 8084 71.794 21.447 2.377 1.00 0.00 WT3 O ATOM 46250 H1 TIP3 8084 72.071 22.119 1.755 1.00 0.00 WT3 H ATOM 46251 H2 TIP3 8084 71.055 21.840 2.842 1.00 0.00 WT3 H ATOM 46252 OH2 TIP3 8085 42.617 96.106 60.009 1.00 0.00 WT3 O ATOM 46253 H1 TIP3 8085 42.545 95.947 59.068 1.00 0.00 WT3 H ATOM 46254 H2 TIP3 8085 41.766 96.466 60.258 1.00 0.00 WT3 H ATOM 46255 OH2 TIP3 8086 45.236 79.100 -13.004 1.00 0.00 WT3 O ATOM 46256 H1 TIP3 8086 45.355 78.151 -12.978 1.00 0.00 WT3 H ATOM 46257 H2 TIP3 8086 44.309 79.232 -12.806 1.00 0.00 WT3 H ATOM 46258 OH2 TIP3 8087 82.541 63.333 -9.076 1.00 0.00 WT3 O ATOM 46259 H1 TIP3 8087 82.548 63.105 -10.005 1.00 0.00 WT3 H ATOM 46260 H2 TIP3 8087 82.992 64.177 -9.032 1.00 0.00 WT3 H ATOM 46261 OH2 TIP3 8088 63.965 13.511 2.574 1.00 0.00 WT3 O ATOM 46262 H1 TIP3 8088 64.649 13.809 1.975 1.00 0.00 WT3 H ATOM 46263 H2 TIP3 8088 64.426 12.969 3.214 1.00 0.00 WT3 H ATOM 46264 OH2 TIP3 8089 68.557 84.028 39.556 1.00 0.00 WT3 O ATOM 46265 H1 TIP3 8089 69.272 83.428 39.768 1.00 0.00 WT3 H ATOM 46266 H2 TIP3 8089 68.005 84.029 40.337 1.00 0.00 WT3 H ATOM 46267 OH2 TIP3 8090 61.248 59.037 46.105 1.00 0.00 WT3 O ATOM 46268 H1 TIP3 8090 60.494 59.081 46.692 1.00 0.00 WT3 H ATOM 46269 H2 TIP3 8090 61.153 59.800 45.534 1.00 0.00 WT3 H ATOM 46270 OH2 TIP3 8091 80.366 50.642 65.678 1.00 0.00 WT3 O ATOM 46271 H1 TIP3 8091 79.771 51.255 66.110 1.00 0.00 WT3 H ATOM 46272 H2 TIP3 8091 80.168 50.731 64.746 1.00 0.00 WT3 H ATOM 46273 OH2 TIP3 8092 30.457 61.035 62.845 1.00 0.00 WT3 O ATOM 46274 H1 TIP3 8092 29.844 61.762 62.734 1.00 0.00 WT3 H ATOM 46275 H2 TIP3 8092 31.220 61.283 62.323 1.00 0.00 WT3 H ATOM 46276 OH2 TIP3 8093 46.496 35.301 -18.596 1.00 0.00 WT3 O ATOM 46277 H1 TIP3 8093 47.034 34.950 -17.887 1.00 0.00 WT3 H ATOM 46278 H2 TIP3 8093 46.417 36.234 -18.398 1.00 0.00 WT3 H ATOM 46279 OH2 TIP3 8094 77.625 59.332 38.221 1.00 0.00 WT3 O ATOM 46280 H1 TIP3 8094 76.826 59.227 37.705 1.00 0.00 WT3 H ATOM 46281 H2 TIP3 8094 77.347 59.188 39.126 1.00 0.00 WT3 H ATOM 46282 OH2 TIP3 8095 68.630 33.066 30.779 1.00 0.00 WT3 O ATOM 46283 H1 TIP3 8095 69.336 33.671 31.005 1.00 0.00 WT3 H ATOM 46284 H2 TIP3 8095 67.904 33.320 31.348 1.00 0.00 WT3 H ATOM 46285 OH2 TIP3 8096 33.415 78.326 31.496 1.00 0.00 WT3 O ATOM 46286 H1 TIP3 8096 32.801 78.865 30.997 1.00 0.00 WT3 H ATOM 46287 H2 TIP3 8096 34.017 77.977 30.839 1.00 0.00 WT3 H ATOM 46288 OH2 TIP3 8097 78.998 70.925 60.294 1.00 0.00 WT3 O ATOM 46289 H1 TIP3 8097 78.061 70.981 60.479 1.00 0.00 WT3 H ATOM 46290 H2 TIP3 8097 79.413 70.918 61.157 1.00 0.00 WT3 H ATOM 46291 OH2 TIP3 8099 25.565 9.921 46.105 1.00 0.00 WT3 O ATOM 46292 H1 TIP3 8099 26.076 9.300 46.624 1.00 0.00 WT3 H ATOM 46293 H2 TIP3 8099 24.952 9.375 45.613 1.00 0.00 WT3 H ATOM 46294 OH2 TIP3 8100 77.231 79.381 48.816 1.00 0.00 WT3 O ATOM 46295 H1 TIP3 8100 76.580 78.972 48.247 1.00 0.00 WT3 H ATOM 46296 H2 TIP3 8100 76.904 79.230 49.703 1.00 0.00 WT3 H ATOM 46297 OH2 TIP3 8101 57.387 20.756 20.059 1.00 0.00 WT3 O ATOM 46298 H1 TIP3 8101 56.842 20.360 20.739 1.00 0.00 WT3 H ATOM 46299 H2 TIP3 8101 56.764 21.088 19.414 1.00 0.00 WT3 H ATOM 46300 OH2 TIP3 8102 32.271 84.053 24.927 1.00 0.00 WT3 O ATOM 46301 H1 TIP3 8102 31.885 83.326 25.416 1.00 0.00 WT3 H ATOM 46302 H2 TIP3 8102 33.071 84.267 25.408 1.00 0.00 WT3 H ATOM 46303 OH2 TIP3 8103 37.283 31.130 -0.504 1.00 0.00 WT3 O ATOM 46304 H1 TIP3 8103 37.033 31.772 -1.169 1.00 0.00 WT3 H ATOM 46305 H2 TIP3 8103 37.336 31.634 0.308 1.00 0.00 WT3 H ATOM 46306 OH2 TIP3 8104 42.593 73.386 8.388 1.00 0.00 WT3 O ATOM 46307 H1 TIP3 8104 41.754 73.267 8.833 1.00 0.00 WT3 H ATOM 46308 H2 TIP3 8104 43.228 72.939 8.948 1.00 0.00 WT3 H ATOM 46309 OH2 TIP3 8105 79.148 48.459 -1.302 1.00 0.00 WT3 O ATOM 46310 H1 TIP3 8105 78.850 49.337 -1.062 1.00 0.00 WT3 H ATOM 46311 H2 TIP3 8105 78.344 47.978 -1.498 1.00 0.00 WT3 H ATOM 46312 OH2 TIP3 8106 74.596 78.130 3.268 1.00 0.00 WT3 O ATOM 46313 H1 TIP3 8106 75.388 78.075 3.804 1.00 0.00 WT3 H ATOM 46314 H2 TIP3 8106 74.323 77.221 3.150 1.00 0.00 WT3 H ATOM 46315 OH2 TIP3 8107 90.182 31.193 -0.286 1.00 0.00 WT3 O ATOM 46316 H1 TIP3 8107 90.776 31.662 0.301 1.00 0.00 WT3 H ATOM 46317 H2 TIP3 8107 90.663 31.128 -1.111 1.00 0.00 WT3 H ATOM 46318 OH2 TIP3 8108 78.126 78.475 66.629 1.00 0.00 WT3 O ATOM 46319 H1 TIP3 8108 77.195 78.561 66.426 1.00 0.00 WT3 H ATOM 46320 H2 TIP3 8108 78.234 78.934 67.462 1.00 0.00 WT3 H ATOM 46321 OH2 TIP3 8109 80.128 27.653 13.263 1.00 0.00 WT3 O ATOM 46322 H1 TIP3 8109 79.429 28.128 13.713 1.00 0.00 WT3 H ATOM 46323 H2 TIP3 8109 79.670 27.012 12.719 1.00 0.00 WT3 H ATOM 46324 OH2 TIP3 8110 20.892 49.393 -18.058 1.00 0.00 WT3 O ATOM 46325 H1 TIP3 8110 20.024 48.991 -18.067 1.00 0.00 WT3 H ATOM 46326 H2 TIP3 8110 21.297 49.108 -18.877 1.00 0.00 WT3 H ATOM 46327 OH2 TIP3 8111 61.931 80.319 10.725 1.00 0.00 WT3 O ATOM 46328 H1 TIP3 8111 62.009 79.981 9.833 1.00 0.00 WT3 H ATOM 46329 H2 TIP3 8111 62.384 79.673 11.267 1.00 0.00 WT3 H ATOM 46330 OH2 TIP3 8112 29.636 69.217 52.380 1.00 0.00 WT3 O ATOM 46331 H1 TIP3 8112 29.586 68.768 51.536 1.00 0.00 WT3 H ATOM 46332 H2 TIP3 8112 29.207 70.059 52.230 1.00 0.00 WT3 H ATOM 46333 OH2 TIP3 8113 85.337 65.555 29.848 1.00 0.00 WT3 O ATOM 46334 H1 TIP3 8113 85.316 64.658 29.515 1.00 0.00 WT3 H ATOM 46335 H2 TIP3 8113 84.447 65.717 30.161 1.00 0.00 WT3 H ATOM 46336 OH2 TIP3 8114 81.351 6.283 3.078 1.00 0.00 WT3 O ATOM 46337 H1 TIP3 8114 81.327 5.838 3.925 1.00 0.00 WT3 H ATOM 46338 H2 TIP3 8114 80.642 5.881 2.575 1.00 0.00 WT3 H ATOM 46339 OH2 TIP3 8116 44.309 93.726 -11.962 1.00 0.00 WT3 O ATOM 46340 H1 TIP3 8116 44.275 93.046 -12.635 1.00 0.00 WT3 H ATOM 46341 H2 TIP3 8116 44.823 93.337 -11.254 1.00 0.00 WT3 H ATOM 46342 OH2 TIP3 8117 74.001 78.764 21.278 1.00 0.00 WT3 O ATOM 46343 H1 TIP3 8117 74.188 79.207 22.106 1.00 0.00 WT3 H ATOM 46344 H2 TIP3 8117 73.434 78.032 21.521 1.00 0.00 WT3 H ATOM 46345 OH2 TIP3 8118 84.025 92.787 29.743 1.00 0.00 WT3 O ATOM 46346 H1 TIP3 8118 84.614 92.450 30.418 1.00 0.00 WT3 H ATOM 46347 H2 TIP3 8118 83.380 92.090 29.618 1.00 0.00 WT3 H ATOM 46348 OH2 TIP3 8121 54.353 80.985 21.635 1.00 0.00 WT3 O ATOM 46349 H1 TIP3 8121 54.943 80.550 22.250 1.00 0.00 WT3 H ATOM 46350 H2 TIP3 8121 53.612 81.267 22.171 1.00 0.00 WT3 H ATOM 46351 OH2 TIP3 8122 51.431 93.908 15.677 1.00 0.00 WT3 O ATOM 46352 H1 TIP3 8122 51.800 93.175 15.185 1.00 0.00 WT3 H ATOM 46353 H2 TIP3 8122 51.673 93.733 16.587 1.00 0.00 WT3 H ATOM 46354 OH2 TIP3 8123 88.083 66.027 54.783 1.00 0.00 WT3 O ATOM 46355 H1 TIP3 8123 88.349 65.934 53.868 1.00 0.00 WT3 H ATOM 46356 H2 TIP3 8123 87.924 65.130 55.079 1.00 0.00 WT3 H ATOM 46357 OH2 TIP3 8128 29.233 64.847 7.413 1.00 0.00 WT3 O ATOM 46358 H1 TIP3 8128 29.631 64.733 8.276 1.00 0.00 WT3 H ATOM 46359 H2 TIP3 8128 28.346 65.154 7.596 1.00 0.00 WT3 H ATOM 46360 OH2 TIP3 8129 75.634 81.417 41.772 1.00 0.00 WT3 O ATOM 46361 H1 TIP3 8129 76.192 80.993 42.424 1.00 0.00 WT3 H ATOM 46362 H2 TIP3 8129 75.141 80.700 41.374 1.00 0.00 WT3 H ATOM 46363 OH2 TIP3 8133 34.781 76.928 8.589 1.00 0.00 WT3 O ATOM 46364 H1 TIP3 8133 35.298 76.123 8.564 1.00 0.00 WT3 H ATOM 46365 H2 TIP3 8133 35.404 77.620 8.365 1.00 0.00 WT3 H ATOM 46366 OH2 TIP3 8135 79.854 94.950 -13.858 1.00 0.00 WT3 O ATOM 46367 H1 TIP3 8135 79.774 95.875 -13.624 1.00 0.00 WT3 H ATOM 46368 H2 TIP3 8135 80.792 94.818 -13.997 1.00 0.00 WT3 H ATOM 46369 OH2 TIP3 8137 55.925 65.802 22.707 1.00 0.00 WT3 O ATOM 46370 H1 TIP3 8137 56.122 66.201 21.860 1.00 0.00 WT3 H ATOM 46371 H2 TIP3 8137 55.884 64.863 22.527 1.00 0.00 WT3 H ATOM 46372 OH2 TIP3 8138 88.321 71.511 2.111 1.00 0.00 WT3 O ATOM 46373 H1 TIP3 8138 88.056 70.644 2.418 1.00 0.00 WT3 H ATOM 46374 H2 TIP3 8138 89.219 71.614 2.428 1.00 0.00 WT3 H ATOM 46375 OH2 TIP3 8142 67.349 46.319 1.164 1.00 0.00 WT3 O ATOM 46376 H1 TIP3 8142 67.512 46.548 2.079 1.00 0.00 WT3 H ATOM 46377 H2 TIP3 8142 66.537 46.776 0.943 1.00 0.00 WT3 H ATOM 46378 OH2 TIP3 8143 84.776 88.469 44.804 1.00 0.00 WT3 O ATOM 46379 H1 TIP3 8143 85.704 88.686 44.897 1.00 0.00 WT3 H ATOM 46380 H2 TIP3 8143 84.653 88.338 43.864 1.00 0.00 WT3 H ATOM 46381 OH2 TIP3 8146 74.390 56.932 -3.333 1.00 0.00 WT3 O ATOM 46382 H1 TIP3 8146 75.012 57.651 -3.441 1.00 0.00 WT3 H ATOM 46383 H2 TIP3 8146 73.908 57.149 -2.535 1.00 0.00 WT3 H ATOM 46384 OH2 TIP3 8147 90.442 21.586 66.546 1.00 0.00 WT3 O ATOM 46385 H1 TIP3 8147 90.694 22.420 66.941 1.00 0.00 WT3 H ATOM 46386 H2 TIP3 8147 89.733 21.262 67.102 1.00 0.00 WT3 H ATOM 46387 OH2 TIP3 8150 20.944 34.892 9.212 1.00 0.00 WT3 O ATOM 46388 H1 TIP3 8150 20.443 35.294 8.503 1.00 0.00 WT3 H ATOM 46389 H2 TIP3 8150 21.744 34.576 8.792 1.00 0.00 WT3 H ATOM 46390 OH2 TIP3 8154 44.587 89.789 21.670 1.00 0.00 WT3 O ATOM 46391 H1 TIP3 8154 43.732 89.387 21.823 1.00 0.00 WT3 H ATOM 46392 H2 TIP3 8154 45.026 89.195 21.061 1.00 0.00 WT3 H ATOM 46393 OH2 TIP3 8155 30.653 57.554 8.761 1.00 0.00 WT3 O ATOM 46394 H1 TIP3 8155 31.406 58.023 9.121 1.00 0.00 WT3 H ATOM 46395 H2 TIP3 8155 29.967 57.660 9.419 1.00 0.00 WT3 H ATOM 46396 OH2 TIP3 8158 84.030 1.279 60.438 1.00 0.00 WT3 O ATOM 46397 H1 TIP3 8158 84.299 0.479 60.890 1.00 0.00 WT3 H ATOM 46398 H2 TIP3 8158 84.851 1.686 60.161 1.00 0.00 WT3 H ATOM 46399 OH2 TIP3 8159 59.861 78.360 -2.841 1.00 0.00 WT3 O ATOM 46400 H1 TIP3 8159 58.986 78.701 -2.656 1.00 0.00 WT3 H ATOM 46401 H2 TIP3 8159 60.399 78.670 -2.113 1.00 0.00 WT3 H ATOM 46402 OH2 TIP3 8170 35.629 67.768 36.895 1.00 0.00 WT3 O ATOM 46403 H1 TIP3 8170 36.410 68.027 37.384 1.00 0.00 WT3 H ATOM 46404 H2 TIP3 8170 35.750 68.155 36.028 1.00 0.00 WT3 H ATOM 46405 OH2 TIP3 8174 87.647 39.323 -9.399 1.00 0.00 WT3 O ATOM 46406 H1 TIP3 8174 87.154 40.137 -9.294 1.00 0.00 WT3 H ATOM 46407 H2 TIP3 8174 88.564 39.588 -9.331 1.00 0.00 WT3 H ATOM 46408 OH2 TIP3 8178 84.170 40.040 37.886 1.00 0.00 WT3 O ATOM 46409 H1 TIP3 8178 84.424 39.769 38.768 1.00 0.00 WT3 H ATOM 46410 H2 TIP3 8178 84.995 40.266 37.457 1.00 0.00 WT3 H ATOM 46411 OH2 TIP3 8180 49.158 88.600 4.782 1.00 0.00 WT3 O ATOM 46412 H1 TIP3 8180 48.548 87.910 4.520 1.00 0.00 WT3 H ATOM 46413 H2 TIP3 8180 48.852 88.876 5.646 1.00 0.00 WT3 H ATOM 46414 OH2 TIP3 8183 87.035 57.720 36.201 1.00 0.00 WT3 O ATOM 46415 H1 TIP3 8183 87.700 57.049 36.357 1.00 0.00 WT3 H ATOM 46416 H2 TIP3 8183 86.417 57.618 36.925 1.00 0.00 WT3 H ATOM 46417 OH2 TIP3 8185 22.925 81.771 20.555 1.00 0.00 WT3 O ATOM 46418 H1 TIP3 8185 22.275 81.183 20.170 1.00 0.00 WT3 H ATOM 46419 H2 TIP3 8185 22.445 82.250 21.230 1.00 0.00 WT3 H ATOM 46420 OH2 TIP3 8201 29.127 22.579 34.600 1.00 0.00 WT3 O ATOM 46421 H1 TIP3 8201 29.994 22.903 34.356 1.00 0.00 WT3 H ATOM 46422 H2 TIP3 8201 28.593 23.368 34.693 1.00 0.00 WT3 H ATOM 46423 OH2 TIP3 8202 51.594 79.357 -19.338 1.00 0.00 WT3 O ATOM 46424 H1 TIP3 8202 51.227 80.124 -18.900 1.00 0.00 WT3 H ATOM 46425 H2 TIP3 8202 51.927 79.692 -20.170 1.00 0.00 WT3 H ATOM 46426 OH2 TIP3 8206 52.027 79.443 28.178 1.00 0.00 WT3 O ATOM 46427 H1 TIP3 8206 52.524 79.276 27.378 1.00 0.00 WT3 H ATOM 46428 H2 TIP3 8206 51.760 78.575 28.482 1.00 0.00 WT3 H ATOM 46429 OH2 TIP3 8219 24.397 27.818 41.120 1.00 0.00 WT3 O ATOM 46430 H1 TIP3 8219 24.122 28.127 41.983 1.00 0.00 WT3 H ATOM 46431 H2 TIP3 8219 23.931 28.383 40.503 1.00 0.00 WT3 H ATOM 46432 OH2 TIP3 8228 82.960 54.447 -1.253 1.00 0.00 WT3 O ATOM 46433 H1 TIP3 8228 82.794 55.330 -1.582 1.00 0.00 WT3 H ATOM 46434 H2 TIP3 8228 83.599 54.568 -0.550 1.00 0.00 WT3 H ATOM 46435 OH2 TIP3 8267 25.819 67.227 -2.470 1.00 0.00 WT3 O ATOM 46436 H1 TIP3 8267 25.491 66.360 -2.233 1.00 0.00 WT3 H ATOM 46437 H2 TIP3 8267 25.869 67.700 -1.639 1.00 0.00 WT3 H ATOM 46438 OH2 TIP3 8270 29.590 73.049 -10.088 1.00 0.00 WT3 O ATOM 46439 H1 TIP3 8270 28.686 72.742 -10.152 1.00 0.00 WT3 H ATOM 46440 H2 TIP3 8270 30.064 72.536 -10.744 1.00 0.00 WT3 H ATOM 46441 OH2 TIP3 8290 21.731 40.617 38.371 1.00 0.00 WT3 O ATOM 46442 H1 TIP3 8290 21.185 39.969 38.817 1.00 0.00 WT3 H ATOM 46443 H2 TIP3 8290 21.470 40.559 37.452 1.00 0.00 WT3 H ATOM 46444 OH2 TIP3 8304 65.338 84.412 -9.125 1.00 0.00 WT3 O ATOM 46445 H1 TIP3 8304 66.116 84.631 -9.638 1.00 0.00 WT3 H ATOM 46446 H2 TIP3 8304 65.122 85.221 -8.660 1.00 0.00 WT3 H ATOM 46447 OH2 TIP3 8309 64.761 65.495 41.179 1.00 0.00 WT3 O ATOM 46448 H1 TIP3 8309 64.157 64.773 41.006 1.00 0.00 WT3 H ATOM 46449 H2 TIP3 8309 64.903 65.899 40.323 1.00 0.00 WT3 H ATOM 46450 OH2 TIP3 8319 49.853 83.531 46.337 1.00 0.00 WT3 O ATOM 46451 H1 TIP3 8319 50.695 83.938 46.130 1.00 0.00 WT3 H ATOM 46452 H2 TIP3 8319 49.941 82.629 46.030 1.00 0.00 WT3 H ATOM 46453 OH2 TIP3 8322 26.254 57.633 19.955 1.00 0.00 WT3 O ATOM 46454 H1 TIP3 8322 26.535 57.595 20.870 1.00 0.00 WT3 H ATOM 46455 H2 TIP3 8322 27.045 57.869 19.471 1.00 0.00 WT3 H ATOM 46456 OH2 TIP3 8324 66.552 91.143 14.354 1.00 0.00 WT3 O ATOM 46457 H1 TIP3 8324 67.220 90.705 14.882 1.00 0.00 WT3 H ATOM 46458 H2 TIP3 8324 66.999 91.905 13.986 1.00 0.00 WT3 H ATOM 46459 OH2 TIP3 8327 64.947 9.000 57.364 1.00 0.00 WT3 O ATOM 46460 H1 TIP3 8327 65.006 9.020 58.319 1.00 0.00 WT3 H ATOM 46461 H2 TIP3 8327 64.597 9.859 57.127 1.00 0.00 WT3 H ATOM 46462 OH2 TIP3 8339 66.396 21.323 52.129 1.00 0.00 WT3 O ATOM 46463 H1 TIP3 8339 66.265 22.023 51.489 1.00 0.00 WT3 H ATOM 46464 H2 TIP3 8339 66.178 20.520 51.654 1.00 0.00 WT3 H ATOM 46465 OH2 TIP3 8345 23.965 74.468 6.498 1.00 0.00 WT3 O ATOM 46466 H1 TIP3 8345 23.473 74.858 5.775 1.00 0.00 WT3 H ATOM 46467 H2 TIP3 8345 24.822 74.892 6.461 1.00 0.00 WT3 H ATOM 46468 OH2 TIP3 8348 88.765 70.453 19.584 1.00 0.00 WT3 O ATOM 46469 H1 TIP3 8348 89.123 70.566 18.704 1.00 0.00 WT3 H ATOM 46470 H2 TIP3 8348 88.197 69.686 19.515 1.00 0.00 WT3 H ATOM 46471 OH2 TIP3 8349 36.908 54.767 14.310 1.00 0.00 WT3 O ATOM 46472 H1 TIP3 8349 37.307 55.621 14.480 1.00 0.00 WT3 H ATOM 46473 H2 TIP3 8349 37.424 54.153 14.832 1.00 0.00 WT3 H ATOM 46474 OH2 TIP3 8354 26.018 67.545 9.057 1.00 0.00 WT3 O ATOM 46475 H1 TIP3 8354 26.316 68.306 8.557 1.00 0.00 WT3 H ATOM 46476 H2 TIP3 8354 26.235 67.755 9.965 1.00 0.00 WT3 H ATOM 46477 OH2 TIP3 8355 84.072 77.036 65.333 1.00 0.00 WT3 O ATOM 46478 H1 TIP3 8355 83.419 76.979 66.031 1.00 0.00 WT3 H ATOM 46479 H2 TIP3 8355 84.869 77.333 65.773 1.00 0.00 WT3 H ATOM 46480 OH2 TIP3 8359 51.541 38.945 31.639 1.00 0.00 WT3 O ATOM 46481 H1 TIP3 8359 51.664 38.641 30.740 1.00 0.00 WT3 H ATOM 46482 H2 TIP3 8359 50.669 39.339 31.642 1.00 0.00 WT3 H ATOM 46483 OH2 TIP3 8360 62.865 71.698 59.736 1.00 0.00 WT3 O ATOM 46484 H1 TIP3 8360 63.083 72.126 58.908 1.00 0.00 WT3 H ATOM 46485 H2 TIP3 8360 62.203 71.047 59.503 1.00 0.00 WT3 H ATOM 46486 OH2 TIP3 8364 36.769 59.108 -9.385 1.00 0.00 WT3 O ATOM 46487 H1 TIP3 8364 37.269 58.432 -8.929 1.00 0.00 WT3 H ATOM 46488 H2 TIP3 8364 35.855 58.840 -9.284 1.00 0.00 WT3 H ATOM 46489 OH2 TIP3 8365 88.272 78.354 17.895 1.00 0.00 WT3 O ATOM 46490 H1 TIP3 8365 89.006 78.728 18.382 1.00 0.00 WT3 H ATOM 46491 H2 TIP3 8365 88.403 77.407 17.954 1.00 0.00 WT3 H ATOM 46492 OH2 TIP3 8369 31.578 40.720 57.319 1.00 0.00 WT3 O ATOM 46493 H1 TIP3 8369 30.933 40.983 57.977 1.00 0.00 WT3 H ATOM 46494 H2 TIP3 8369 31.946 41.545 57.002 1.00 0.00 WT3 H ATOM 46495 OH2 TIP3 8370 70.639 4.486 16.656 1.00 0.00 WT3 O ATOM 46496 H1 TIP3 8370 70.992 4.813 17.483 1.00 0.00 WT3 H ATOM 46497 H2 TIP3 8370 71.406 4.369 16.096 1.00 0.00 WT3 H ATOM 46498 OH2 TIP3 8372 27.065 20.287 48.111 1.00 0.00 WT3 O ATOM 46499 H1 TIP3 8372 27.358 19.717 47.400 1.00 0.00 WT3 H ATOM 46500 H2 TIP3 8372 27.536 21.108 47.971 1.00 0.00 WT3 H ATOM 46501 OH2 TIP3 8375 25.973 77.752 59.890 1.00 0.00 WT3 O ATOM 46502 H1 TIP3 8375 25.446 76.984 59.666 1.00 0.00 WT3 H ATOM 46503 H2 TIP3 8375 26.406 77.993 59.071 1.00 0.00 WT3 H ATOM 46504 OH2 TIP3 8376 78.526 68.594 15.607 1.00 0.00 WT3 O ATOM 46505 H1 TIP3 8376 78.901 67.829 16.042 1.00 0.00 WT3 H ATOM 46506 H2 TIP3 8376 78.684 68.441 14.675 1.00 0.00 WT3 H ATOM 46507 OH2 TIP3 8377 63.202 18.372 56.749 1.00 0.00 WT3 O ATOM 46508 H1 TIP3 8377 62.247 18.333 56.791 1.00 0.00 WT3 H ATOM 46509 H2 TIP3 8377 63.484 17.461 56.835 1.00 0.00 WT3 H ATOM 46510 OH2 TIP3 8378 68.257 41.577 -7.516 1.00 0.00 WT3 O ATOM 46511 H1 TIP3 8378 67.888 42.449 -7.656 1.00 0.00 WT3 H ATOM 46512 H2 TIP3 8378 67.916 41.306 -6.663 1.00 0.00 WT3 H ATOM 46513 OH2 TIP3 8381 67.794 67.649 13.498 1.00 0.00 WT3 O ATOM 46514 H1 TIP3 8381 68.056 66.791 13.831 1.00 0.00 WT3 H ATOM 46515 H2 TIP3 8381 68.328 68.272 13.992 1.00 0.00 WT3 H ATOM 46516 OH2 TIP3 8382 30.045 77.933 54.011 1.00 0.00 WT3 O ATOM 46517 H1 TIP3 8382 30.960 77.667 54.106 1.00 0.00 WT3 H ATOM 46518 H2 TIP3 8382 29.978 78.242 53.107 1.00 0.00 WT3 H ATOM 46519 OH2 TIP3 8384 37.855 53.191 16.241 1.00 0.00 WT3 O ATOM 46520 H1 TIP3 8384 38.450 52.447 16.330 1.00 0.00 WT3 H ATOM 46521 H2 TIP3 8384 37.989 53.703 17.038 1.00 0.00 WT3 H ATOM 46522 OH2 TIP3 8386 31.164 7.620 -11.842 1.00 0.00 WT3 O ATOM 46523 H1 TIP3 8386 31.487 6.764 -12.120 1.00 0.00 WT3 H ATOM 46524 H2 TIP3 8386 30.211 7.545 -11.890 1.00 0.00 WT3 H ATOM 46525 OH2 TIP3 8388 53.322 88.262 -1.449 1.00 0.00 WT3 O ATOM 46526 H1 TIP3 8388 53.787 89.085 -1.298 1.00 0.00 WT3 H ATOM 46527 H2 TIP3 8388 53.967 87.695 -1.871 1.00 0.00 WT3 H ATOM 46528 OH2 TIP3 8389 88.579 66.569 41.388 1.00 0.00 WT3 O ATOM 46529 H1 TIP3 8389 89.247 66.382 40.728 1.00 0.00 WT3 H ATOM 46530 H2 TIP3 8389 87.905 65.906 41.241 1.00 0.00 WT3 H ATOM 46531 OH2 TIP3 8391 58.280 67.023 48.445 1.00 0.00 WT3 O ATOM 46532 H1 TIP3 8391 58.531 66.546 47.654 1.00 0.00 WT3 H ATOM 46533 H2 TIP3 8391 57.466 67.469 48.208 1.00 0.00 WT3 H ATOM 46534 OH2 TIP3 8392 73.147 83.573 57.551 1.00 0.00 WT3 O ATOM 46535 H1 TIP3 8392 72.239 83.562 57.855 1.00 0.00 WT3 H ATOM 46536 H2 TIP3 8392 73.641 83.156 58.256 1.00 0.00 WT3 H ATOM 46537 OH2 TIP3 8393 64.307 46.789 -1.639 1.00 0.00 WT3 O ATOM 46538 H1 TIP3 8393 63.844 47.290 -2.311 1.00 0.00 WT3 H ATOM 46539 H2 TIP3 8393 64.911 47.419 -1.244 1.00 0.00 WT3 H ATOM 46540 OH2 TIP3 8394 85.113 54.180 17.024 1.00 0.00 WT3 O ATOM 46541 H1 TIP3 8394 84.441 54.621 16.505 1.00 0.00 WT3 H ATOM 46542 H2 TIP3 8394 84.729 53.332 17.243 1.00 0.00 WT3 H ATOM 46543 OH2 TIP3 8396 69.391 71.852 21.050 1.00 0.00 WT3 O ATOM 46544 H1 TIP3 8396 68.944 71.406 20.331 1.00 0.00 WT3 H ATOM 46545 H2 TIP3 8396 69.857 71.156 21.512 1.00 0.00 WT3 H ATOM 46546 OH2 TIP3 8397 56.866 72.946 51.663 1.00 0.00 WT3 O ATOM 46547 H1 TIP3 8397 57.611 73.444 52.001 1.00 0.00 WT3 H ATOM 46548 H2 TIP3 8397 57.226 72.441 50.933 1.00 0.00 WT3 H ATOM 46549 OH2 TIP3 8399 84.620 46.057 57.725 1.00 0.00 WT3 O ATOM 46550 H1 TIP3 8399 83.990 45.998 58.443 1.00 0.00 WT3 H ATOM 46551 H2 TIP3 8399 85.396 45.600 58.049 1.00 0.00 WT3 H ATOM 46552 OH2 TIP3 8401 33.509 36.055 -14.143 1.00 0.00 WT3 O ATOM 46553 H1 TIP3 8401 32.603 36.362 -14.110 1.00 0.00 WT3 H ATOM 46554 H2 TIP3 8401 33.559 35.540 -14.948 1.00 0.00 WT3 H ATOM 46555 OH2 TIP3 8402 84.945 54.922 -5.013 1.00 0.00 WT3 O ATOM 46556 H1 TIP3 8402 85.298 55.053 -4.133 1.00 0.00 WT3 H ATOM 46557 H2 TIP3 8402 84.339 54.186 -4.922 1.00 0.00 WT3 H ATOM 46558 OH2 TIP3 8403 73.090 55.795 33.961 1.00 0.00 WT3 O ATOM 46559 H1 TIP3 8403 72.229 55.872 33.549 1.00 0.00 WT3 H ATOM 46560 H2 TIP3 8403 73.312 54.867 33.881 1.00 0.00 WT3 H ATOM 46561 OH2 TIP3 8404 73.072 83.792 62.488 1.00 0.00 WT3 O ATOM 46562 H1 TIP3 8404 73.743 83.130 62.653 1.00 0.00 WT3 H ATOM 46563 H2 TIP3 8404 72.907 84.186 63.344 1.00 0.00 WT3 H ATOM 46564 OH2 TIP3 8406 64.244 73.657 2.542 1.00 0.00 WT3 O ATOM 46565 H1 TIP3 8406 64.869 73.612 3.265 1.00 0.00 WT3 H ATOM 46566 H2 TIP3 8406 63.386 73.670 2.966 1.00 0.00 WT3 H ATOM 46567 OH2 TIP3 8408 28.140 42.528 -7.653 1.00 0.00 WT3 O ATOM 46568 H1 TIP3 8408 28.539 42.872 -6.854 1.00 0.00 WT3 H ATOM 46569 H2 TIP3 8408 27.198 42.568 -7.488 1.00 0.00 WT3 H ATOM 46570 OH2 TIP3 8409 40.995 95.523 23.425 1.00 0.00 WT3 O ATOM 46571 H1 TIP3 8409 40.578 95.874 24.212 1.00 0.00 WT3 H ATOM 46572 H2 TIP3 8409 40.285 95.094 22.948 1.00 0.00 WT3 H ATOM 46573 OH2 TIP3 8410 28.452 48.360 18.657 1.00 0.00 WT3 O ATOM 46574 H1 TIP3 8410 27.825 48.715 18.026 1.00 0.00 WT3 H ATOM 46575 H2 TIP3 8410 29.286 48.353 18.188 1.00 0.00 WT3 H ATOM 46576 OH2 TIP3 8411 38.224 39.717 24.233 1.00 0.00 WT3 O ATOM 46577 H1 TIP3 8411 38.885 39.088 23.941 1.00 0.00 WT3 H ATOM 46578 H2 TIP3 8411 38.488 40.545 23.833 1.00 0.00 WT3 H ATOM 46579 OH2 TIP3 8412 62.650 24.692 61.187 1.00 0.00 WT3 O ATOM 46580 H1 TIP3 8412 62.919 25.609 61.228 1.00 0.00 WT3 H ATOM 46581 H2 TIP3 8412 62.706 24.467 60.258 1.00 0.00 WT3 H ATOM 46582 OH2 TIP3 8413 49.381 53.520 49.930 1.00 0.00 WT3 O ATOM 46583 H1 TIP3 8413 48.651 53.880 50.435 1.00 0.00 WT3 H ATOM 46584 H2 TIP3 8413 49.365 54.005 49.105 1.00 0.00 WT3 H ATOM 46585 OH2 TIP3 8414 36.375 85.121 34.251 1.00 0.00 WT3 O ATOM 46586 H1 TIP3 8414 36.122 86.028 34.084 1.00 0.00 WT3 H ATOM 46587 H2 TIP3 8414 35.565 84.622 34.144 1.00 0.00 WT3 H ATOM 46588 OH2 TIP3 8415 33.509 34.985 17.512 1.00 0.00 WT3 O ATOM 46589 H1 TIP3 8415 33.402 34.889 18.459 1.00 0.00 WT3 H ATOM 46590 H2 TIP3 8415 34.426 34.766 17.350 1.00 0.00 WT3 H ATOM 46591 OH2 TIP3 8416 84.316 71.861 57.878 1.00 0.00 WT3 O ATOM 46592 H1 TIP3 8416 83.899 72.719 57.956 1.00 0.00 WT3 H ATOM 46593 H2 TIP3 8416 85.254 72.043 57.932 1.00 0.00 WT3 H ATOM 46594 OH2 TIP3 8419 33.738 22.580 22.113 1.00 0.00 WT3 O ATOM 46595 H1 TIP3 8419 34.509 22.049 21.916 1.00 0.00 WT3 H ATOM 46596 H2 TIP3 8419 33.497 22.332 23.005 1.00 0.00 WT3 H ATOM 46597 OH2 TIP3 8420 38.026 92.224 -11.988 1.00 0.00 WT3 O ATOM 46598 H1 TIP3 8420 38.803 91.876 -12.426 1.00 0.00 WT3 H ATOM 46599 H2 TIP3 8420 38.359 92.935 -11.439 1.00 0.00 WT3 H ATOM 46600 OH2 TIP3 8421 90.207 45.844 14.320 1.00 0.00 WT3 O ATOM 46601 H1 TIP3 8421 90.377 45.744 15.256 1.00 0.00 WT3 H ATOM 46602 H2 TIP3 8421 89.398 45.355 14.169 1.00 0.00 WT3 H ATOM 46603 OH2 TIP3 8422 80.502 49.083 27.230 1.00 0.00 WT3 O ATOM 46604 H1 TIP3 8422 80.116 49.236 28.092 1.00 0.00 WT3 H ATOM 46605 H2 TIP3 8422 79.752 48.944 26.652 1.00 0.00 WT3 H ATOM 46606 OH2 TIP3 8423 85.226 64.686 46.348 1.00 0.00 WT3 O ATOM 46607 H1 TIP3 8423 84.415 64.184 46.264 1.00 0.00 WT3 H ATOM 46608 H2 TIP3 8423 85.250 65.237 45.566 1.00 0.00 WT3 H ATOM 46609 OH2 TIP3 8424 52.967 51.285 59.398 1.00 0.00 WT3 O ATOM 46610 H1 TIP3 8424 53.909 51.208 59.250 1.00 0.00 WT3 H ATOM 46611 H2 TIP3 8424 52.766 50.597 60.033 1.00 0.00 WT3 H ATOM 46612 OH2 TIP3 8425 48.616 50.090 58.438 1.00 0.00 WT3 O ATOM 46613 H1 TIP3 8425 49.241 50.650 58.897 1.00 0.00 WT3 H ATOM 46614 H2 TIP3 8425 49.058 49.854 57.622 1.00 0.00 WT3 H ATOM 46615 OH2 TIP3 8426 79.225 33.375 -10.381 1.00 0.00 WT3 O ATOM 46616 H1 TIP3 8426 79.093 32.692 -9.723 1.00 0.00 WT3 H ATOM 46617 H2 TIP3 8426 79.885 33.014 -10.973 1.00 0.00 WT3 H ATOM 46618 OH2 TIP3 8427 70.440 1.367 -15.451 1.00 0.00 WT3 O ATOM 46619 H1 TIP3 8427 70.445 1.830 -14.614 1.00 0.00 WT3 H ATOM 46620 H2 TIP3 8427 70.542 0.445 -15.216 1.00 0.00 WT3 H ATOM 46621 OH2 TIP3 8428 70.053 25.975 -0.369 1.00 0.00 WT3 O ATOM 46622 H1 TIP3 8428 70.432 26.040 -1.245 1.00 0.00 WT3 H ATOM 46623 H2 TIP3 8428 69.115 26.105 -0.503 1.00 0.00 WT3 H ATOM 46624 OH2 TIP3 8429 81.845 52.096 -1.973 1.00 0.00 WT3 O ATOM 46625 H1 TIP3 8429 82.426 52.848 -1.853 1.00 0.00 WT3 H ATOM 46626 H2 TIP3 8429 80.998 52.391 -1.639 1.00 0.00 WT3 H ATOM 46627 OH2 TIP3 8430 42.927 7.051 38.826 1.00 0.00 WT3 O ATOM 46628 H1 TIP3 8430 43.695 7.622 38.855 1.00 0.00 WT3 H ATOM 46629 H2 TIP3 8430 43.288 6.167 38.766 1.00 0.00 WT3 H ATOM 46630 OH2 TIP3 8431 56.567 82.088 -10.618 1.00 0.00 WT3 O ATOM 46631 H1 TIP3 8431 56.504 81.458 -9.900 1.00 0.00 WT3 H ATOM 46632 H2 TIP3 8431 56.280 81.601 -11.390 1.00 0.00 WT3 H ATOM 46633 OH2 TIP3 8432 72.764 79.611 6.989 1.00 0.00 WT3 O ATOM 46634 H1 TIP3 8432 73.476 80.005 7.494 1.00 0.00 WT3 H ATOM 46635 H2 TIP3 8432 72.039 79.541 7.609 1.00 0.00 WT3 H ATOM 46636 OH2 TIP3 8433 55.182 5.250 47.293 1.00 0.00 WT3 O ATOM 46637 H1 TIP3 8433 54.444 5.848 47.414 1.00 0.00 WT3 H ATOM 46638 H2 TIP3 8433 55.352 4.899 48.167 1.00 0.00 WT3 H ATOM 46639 OH2 TIP3 8434 87.413 33.559 55.949 1.00 0.00 WT3 O ATOM 46640 H1 TIP3 8434 87.105 33.100 56.730 1.00 0.00 WT3 H ATOM 46641 H2 TIP3 8434 88.364 33.447 55.964 1.00 0.00 WT3 H ATOM 46642 OH2 TIP3 8435 70.253 84.601 55.179 1.00 0.00 WT3 O ATOM 46643 H1 TIP3 8435 70.532 84.437 54.278 1.00 0.00 WT3 H ATOM 46644 H2 TIP3 8435 70.881 84.119 55.716 1.00 0.00 WT3 H ATOM 46645 OH2 TIP3 8437 28.540 59.949 49.762 1.00 0.00 WT3 O ATOM 46646 H1 TIP3 8437 28.866 60.151 50.639 1.00 0.00 WT3 H ATOM 46647 H2 TIP3 8437 29.258 59.475 49.342 1.00 0.00 WT3 H ATOM 46648 OH2 TIP3 8438 90.488 9.364 36.591 1.00 0.00 WT3 O ATOM 46649 H1 TIP3 8438 90.134 8.969 35.794 1.00 0.00 WT3 H ATOM 46650 H2 TIP3 8438 91.182 9.947 36.282 1.00 0.00 WT3 H ATOM 46651 OH2 TIP3 8439 73.495 94.445 49.414 1.00 0.00 WT3 O ATOM 46652 H1 TIP3 8439 72.616 94.148 49.646 1.00 0.00 WT3 H ATOM 46653 H2 TIP3 8439 73.938 94.564 50.254 1.00 0.00 WT3 H ATOM 46654 OH2 TIP3 8441 63.866 64.229 61.697 1.00 0.00 WT3 O ATOM 46655 H1 TIP3 8441 64.593 64.766 61.383 1.00 0.00 WT3 H ATOM 46656 H2 TIP3 8441 63.302 64.117 60.932 1.00 0.00 WT3 H ATOM 46657 OH2 TIP3 8442 84.114 35.708 -14.970 1.00 0.00 WT3 O ATOM 46658 H1 TIP3 8442 83.429 35.040 -15.010 1.00 0.00 WT3 H ATOM 46659 H2 TIP3 8442 83.868 36.344 -15.643 1.00 0.00 WT3 H ATOM 46660 OH2 TIP3 8443 73.739 77.776 -5.596 1.00 0.00 WT3 O ATOM 46661 H1 TIP3 8443 74.015 77.022 -6.117 1.00 0.00 WT3 H ATOM 46662 H2 TIP3 8443 74.552 78.234 -5.386 1.00 0.00 WT3 H ATOM 46663 OH2 TIP3 8444 29.586 2.014 13.581 1.00 0.00 WT3 O ATOM 46664 H1 TIP3 8444 29.492 2.815 13.066 1.00 0.00 WT3 H ATOM 46665 H2 TIP3 8444 30.458 2.079 13.969 1.00 0.00 WT3 H ATOM 46666 OH2 TIP3 8445 36.676 67.864 5.188 1.00 0.00 WT3 O ATOM 46667 H1 TIP3 8445 37.126 67.884 6.032 1.00 0.00 WT3 H ATOM 46668 H2 TIP3 8445 36.394 66.955 5.087 1.00 0.00 WT3 H ATOM 46669 OH2 TIP3 8446 54.861 67.887 17.938 1.00 0.00 WT3 O ATOM 46670 H1 TIP3 8446 55.308 67.362 17.273 1.00 0.00 WT3 H ATOM 46671 H2 TIP3 8446 54.047 67.414 18.111 1.00 0.00 WT3 H ATOM 46672 OH2 TIP3 8447 50.439 55.438 -14.239 1.00 0.00 WT3 O ATOM 46673 H1 TIP3 8447 51.240 55.584 -14.743 1.00 0.00 WT3 H ATOM 46674 H2 TIP3 8447 50.211 56.302 -13.896 1.00 0.00 WT3 H ATOM 46675 OH2 TIP3 8448 20.918 78.734 -19.117 1.00 0.00 WT3 O ATOM 46676 H1 TIP3 8448 21.664 78.837 -18.526 1.00 0.00 WT3 H ATOM 46677 H2 TIP3 8448 20.177 79.101 -18.634 1.00 0.00 WT3 H ATOM 46678 OH2 TIP3 8450 24.115 63.917 7.604 1.00 0.00 WT3 O ATOM 46679 H1 TIP3 8450 24.045 64.149 8.530 1.00 0.00 WT3 H ATOM 46680 H2 TIP3 8450 23.379 64.366 7.188 1.00 0.00 WT3 H ATOM 46681 OH2 TIP3 8451 47.446 39.939 26.829 1.00 0.00 WT3 O ATOM 46682 H1 TIP3 8451 47.005 39.748 26.001 1.00 0.00 WT3 H ATOM 46683 H2 TIP3 8451 47.826 39.103 27.098 1.00 0.00 WT3 H ATOM 46684 OH2 TIP3 8453 76.848 27.194 -13.777 1.00 0.00 WT3 O ATOM 46685 H1 TIP3 8453 76.328 27.299 -12.981 1.00 0.00 WT3 H ATOM 46686 H2 TIP3 8453 76.349 27.655 -14.452 1.00 0.00 WT3 H ATOM 46687 OH2 TIP3 8455 34.056 78.905 1.893 1.00 0.00 WT3 O ATOM 46688 H1 TIP3 8455 33.835 78.114 1.402 1.00 0.00 WT3 H ATOM 46689 H2 TIP3 8455 34.170 79.580 1.224 1.00 0.00 WT3 H ATOM 46690 OH2 TIP3 8456 65.838 54.266 -6.970 1.00 0.00 WT3 O ATOM 46691 H1 TIP3 8456 66.065 55.183 -6.814 1.00 0.00 WT3 H ATOM 46692 H2 TIP3 8456 66.251 54.055 -7.807 1.00 0.00 WT3 H ATOM 46693 OH2 TIP3 8457 53.690 85.141 -14.016 1.00 0.00 WT3 O ATOM 46694 H1 TIP3 8457 53.930 84.424 -13.429 1.00 0.00 WT3 H ATOM 46695 H2 TIP3 8457 54.494 85.652 -14.112 1.00 0.00 WT3 H ATOM 46696 OH2 TIP3 8458 89.232 85.426 26.179 1.00 0.00 WT3 O ATOM 46697 H1 TIP3 8458 89.945 86.035 26.370 1.00 0.00 WT3 H ATOM 46698 H2 TIP3 8458 88.442 85.880 26.472 1.00 0.00 WT3 H ATOM 46699 OH2 TIP3 8459 71.652 73.777 23.669 1.00 0.00 WT3 O ATOM 46700 H1 TIP3 8459 71.783 74.189 24.523 1.00 0.00 WT3 H ATOM 46701 H2 TIP3 8459 70.723 73.549 23.652 1.00 0.00 WT3 H ATOM 46702 OH2 TIP3 8461 25.379 52.048 65.116 1.00 0.00 WT3 O ATOM 46703 H1 TIP3 8461 25.557 51.107 65.122 1.00 0.00 WT3 H ATOM 46704 H2 TIP3 8461 26.057 52.424 65.677 1.00 0.00 WT3 H ATOM 46705 OH2 TIP3 8462 45.456 29.780 54.247 1.00 0.00 WT3 O ATOM 46706 H1 TIP3 8462 45.606 30.305 53.461 1.00 0.00 WT3 H ATOM 46707 H2 TIP3 8462 45.432 30.417 54.961 1.00 0.00 WT3 H ATOM 46708 OH2 TIP3 8463 84.716 79.158 -6.844 1.00 0.00 WT3 O ATOM 46709 H1 TIP3 8463 84.449 78.586 -6.125 1.00 0.00 WT3 H ATOM 46710 H2 TIP3 8463 84.239 79.974 -6.692 1.00 0.00 WT3 H ATOM 46711 OH2 TIP3 8464 54.226 37.291 -13.857 1.00 0.00 WT3 O ATOM 46712 H1 TIP3 8464 54.637 37.897 -14.473 1.00 0.00 WT3 H ATOM 46713 H2 TIP3 8464 53.359 37.663 -13.697 1.00 0.00 WT3 H ATOM 46714 OH2 TIP3 8465 86.316 46.717 -13.562 1.00 0.00 WT3 O ATOM 46715 H1 TIP3 8465 85.398 46.937 -13.719 1.00 0.00 WT3 H ATOM 46716 H2 TIP3 8465 86.682 47.498 -13.147 1.00 0.00 WT3 H ATOM 46717 OH2 TIP3 8466 64.656 37.679 5.852 1.00 0.00 WT3 O ATOM 46718 H1 TIP3 8466 64.036 37.395 6.525 1.00 0.00 WT3 H ATOM 46719 H2 TIP3 8466 64.742 38.622 5.988 1.00 0.00 WT3 H ATOM 46720 OH2 TIP3 8467 43.503 59.901 46.028 1.00 0.00 WT3 O ATOM 46721 H1 TIP3 8467 43.122 59.630 45.193 1.00 0.00 WT3 H ATOM 46722 H2 TIP3 8467 44.396 60.166 45.810 1.00 0.00 WT3 H ATOM 46723 OH2 TIP3 8468 28.814 80.758 50.196 1.00 0.00 WT3 O ATOM 46724 H1 TIP3 8468 29.376 81.497 50.430 1.00 0.00 WT3 H ATOM 46725 H2 TIP3 8468 29.399 80.001 50.199 1.00 0.00 WT3 H ATOM 46726 OH2 TIP3 8469 65.392 58.064 36.499 1.00 0.00 WT3 O ATOM 46727 H1 TIP3 8469 64.793 58.756 36.778 1.00 0.00 WT3 H ATOM 46728 H2 TIP3 8469 64.962 57.252 36.768 1.00 0.00 WT3 H ATOM 46729 OH2 TIP3 8470 55.943 49.645 -10.569 1.00 0.00 WT3 O ATOM 46730 H1 TIP3 8470 55.462 48.820 -10.624 1.00 0.00 WT3 H ATOM 46731 H2 TIP3 8470 55.411 50.195 -9.993 1.00 0.00 WT3 H ATOM 46732 OH2 TIP3 8472 32.378 80.873 53.777 1.00 0.00 WT3 O ATOM 46733 H1 TIP3 8472 31.548 81.259 53.500 1.00 0.00 WT3 H ATOM 46734 H2 TIP3 8472 32.853 80.712 52.962 1.00 0.00 WT3 H ATOM 46735 OH2 TIP3 8473 69.225 35.768 11.026 1.00 0.00 WT3 O ATOM 46736 H1 TIP3 8473 69.392 36.643 10.676 1.00 0.00 WT3 H ATOM 46737 H2 TIP3 8473 69.029 35.913 11.951 1.00 0.00 WT3 H ATOM 46738 OH2 TIP3 8474 70.468 59.905 48.599 1.00 0.00 WT3 O ATOM 46739 H1 TIP3 8474 69.515 59.895 48.684 1.00 0.00 WT3 H ATOM 46740 H2 TIP3 8474 70.694 60.833 48.543 1.00 0.00 WT3 H ATOM 46741 OH2 TIP3 8475 23.872 52.409 13.854 1.00 0.00 WT3 O ATOM 46742 H1 TIP3 8475 24.394 52.895 14.493 1.00 0.00 WT3 H ATOM 46743 H2 TIP3 8475 24.492 52.180 13.162 1.00 0.00 WT3 H ATOM 46744 OH2 TIP3 8476 81.711 81.864 33.679 1.00 0.00 WT3 O ATOM 46745 H1 TIP3 8476 81.194 81.309 33.095 1.00 0.00 WT3 H ATOM 46746 H2 TIP3 8476 81.119 82.069 34.403 1.00 0.00 WT3 H ATOM 46747 OH2 TIP3 8477 23.284 86.664 11.068 1.00 0.00 WT3 O ATOM 46748 H1 TIP3 8477 24.117 86.351 11.421 1.00 0.00 WT3 H ATOM 46749 H2 TIP3 8477 22.640 86.025 11.373 1.00 0.00 WT3 H ATOM 46750 OH2 TIP3 8478 21.109 84.986 47.475 1.00 0.00 WT3 O ATOM 46751 H1 TIP3 8478 21.833 85.416 47.931 1.00 0.00 WT3 H ATOM 46752 H2 TIP3 8478 21.518 84.260 47.005 1.00 0.00 WT3 H ATOM 46753 OH2 TIP3 8479 20.439 48.995 42.266 1.00 0.00 WT3 O ATOM 46754 H1 TIP3 8479 21.003 49.397 41.605 1.00 0.00 WT3 H ATOM 46755 H2 TIP3 8479 19.709 49.607 42.361 1.00 0.00 WT3 H ATOM 46756 OH2 TIP3 8480 80.500 52.210 32.511 1.00 0.00 WT3 O ATOM 46757 H1 TIP3 8480 80.742 52.256 31.585 1.00 0.00 WT3 H ATOM 46758 H2 TIP3 8480 80.152 53.079 32.712 1.00 0.00 WT3 H ATOM 46759 OH2 TIP3 8481 75.305 25.345 50.211 1.00 0.00 WT3 O ATOM 46760 H1 TIP3 8481 75.108 26.281 50.223 1.00 0.00 WT3 H ATOM 46761 H2 TIP3 8481 74.588 24.942 50.700 1.00 0.00 WT3 H ATOM 46762 OH2 TIP3 8482 47.630 91.416 -18.236 1.00 0.00 WT3 O ATOM 46763 H1 TIP3 8482 48.156 90.654 -18.480 1.00 0.00 WT3 H ATOM 46764 H2 TIP3 8482 46.762 91.233 -18.594 1.00 0.00 WT3 H ATOM 46765 OH2 TIP3 8483 52.114 67.173 62.403 1.00 0.00 WT3 O ATOM 46766 H1 TIP3 8483 51.650 66.872 61.621 1.00 0.00 WT3 H ATOM 46767 H2 TIP3 8483 51.651 67.969 62.665 1.00 0.00 WT3 H ATOM 46768 OH2 TIP3 8484 53.277 78.910 61.829 1.00 0.00 WT3 O ATOM 46769 H1 TIP3 8484 52.628 78.997 62.527 1.00 0.00 WT3 H ATOM 46770 H2 TIP3 8484 54.079 79.279 62.200 1.00 0.00 WT3 H ATOM 46771 OH2 TIP3 8485 65.971 91.646 -18.181 1.00 0.00 WT3 O ATOM 46772 H1 TIP3 8485 66.043 91.054 -18.929 1.00 0.00 WT3 H ATOM 46773 H2 TIP3 8485 66.765 92.179 -18.219 1.00 0.00 WT3 H ATOM 46774 OH2 TIP3 8486 32.011 65.865 41.445 1.00 0.00 WT3 O ATOM 46775 H1 TIP3 8486 32.312 65.064 41.874 1.00 0.00 WT3 H ATOM 46776 H2 TIP3 8486 31.672 65.571 40.600 1.00 0.00 WT3 H ATOM 46777 OH2 TIP3 8487 80.876 64.748 63.359 1.00 0.00 WT3 O ATOM 46778 H1 TIP3 8487 80.145 64.144 63.487 1.00 0.00 WT3 H ATOM 46779 H2 TIP3 8487 81.651 64.242 63.602 1.00 0.00 WT3 H ATOM 46780 OH2 TIP3 8489 37.730 48.746 53.770 1.00 0.00 WT3 O ATOM 46781 H1 TIP3 8489 38.625 49.073 53.689 1.00 0.00 WT3 H ATOM 46782 H2 TIP3 8489 37.764 48.130 54.502 1.00 0.00 WT3 H ATOM 46783 OH2 TIP3 8490 53.756 11.747 47.968 1.00 0.00 WT3 O ATOM 46784 H1 TIP3 8490 54.131 10.893 48.184 1.00 0.00 WT3 H ATOM 46785 H2 TIP3 8490 53.981 12.304 48.713 1.00 0.00 WT3 H ATOM 46786 OH2 TIP3 8491 49.868 96.160 53.095 1.00 0.00 WT3 O ATOM 46787 H1 TIP3 8491 50.217 95.534 52.460 1.00 0.00 WT3 H ATOM 46788 H2 TIP3 8491 50.500 96.879 53.095 1.00 0.00 WT3 H ATOM 46789 OH2 TIP3 8492 77.141 17.052 -5.083 1.00 0.00 WT3 O ATOM 46790 H1 TIP3 8492 76.724 17.396 -5.872 1.00 0.00 WT3 H ATOM 46791 H2 TIP3 8492 76.817 17.611 -4.377 1.00 0.00 WT3 H ATOM 46792 OH2 TIP3 8494 71.189 94.321 -6.307 1.00 0.00 WT3 O ATOM 46793 H1 TIP3 8494 71.831 93.752 -5.881 1.00 0.00 WT3 H ATOM 46794 H2 TIP3 8494 70.375 93.818 -6.291 1.00 0.00 WT3 H ATOM 46795 OH2 TIP3 8495 73.916 42.038 54.711 1.00 0.00 WT3 O ATOM 46796 H1 TIP3 8495 73.018 42.250 54.967 1.00 0.00 WT3 H ATOM 46797 H2 TIP3 8495 74.395 42.860 54.814 1.00 0.00 WT3 H ATOM 46798 OH2 TIP3 8496 77.062 88.918 19.032 1.00 0.00 WT3 O ATOM 46799 H1 TIP3 8496 76.856 89.317 19.877 1.00 0.00 WT3 H ATOM 46800 H2 TIP3 8496 76.596 88.082 19.041 1.00 0.00 WT3 H ATOM 46801 OH2 TIP3 8497 56.431 71.796 39.579 1.00 0.00 WT3 O ATOM 46802 H1 TIP3 8497 55.992 72.559 39.202 1.00 0.00 WT3 H ATOM 46803 H2 TIP3 8497 55.718 71.242 39.896 1.00 0.00 WT3 H ATOM 46804 OH2 TIP3 8498 73.215 83.906 0.839 1.00 0.00 WT3 O ATOM 46805 H1 TIP3 8498 73.688 83.139 0.514 1.00 0.00 WT3 H ATOM 46806 H2 TIP3 8498 72.642 84.159 0.115 1.00 0.00 WT3 H ATOM 46807 OH2 TIP3 8499 21.025 28.820 -11.547 1.00 0.00 WT3 O ATOM 46808 H1 TIP3 8499 20.092 29.032 -11.535 1.00 0.00 WT3 H ATOM 46809 H2 TIP3 8499 21.061 27.882 -11.360 1.00 0.00 WT3 H ATOM 46810 OH2 TIP3 8501 53.578 24.598 62.496 1.00 0.00 WT3 O ATOM 46811 H1 TIP3 8501 52.934 25.303 62.556 1.00 0.00 WT3 H ATOM 46812 H2 TIP3 8501 53.297 24.080 61.741 1.00 0.00 WT3 H ATOM 46813 OH2 TIP3 8502 30.177 82.764 -13.875 1.00 0.00 WT3 O ATOM 46814 H1 TIP3 8502 30.765 83.395 -14.289 1.00 0.00 WT3 H ATOM 46815 H2 TIP3 8502 30.759 82.152 -13.426 1.00 0.00 WT3 H ATOM 46816 OH2 TIP3 8503 63.596 52.664 38.250 1.00 0.00 WT3 O ATOM 46817 H1 TIP3 8503 62.913 52.243 37.728 1.00 0.00 WT3 H ATOM 46818 H2 TIP3 8503 63.121 53.242 38.846 1.00 0.00 WT3 H ATOM 46819 OH2 TIP3 8505 31.073 23.913 -16.696 1.00 0.00 WT3 O ATOM 46820 H1 TIP3 8505 30.332 24.302 -16.232 1.00 0.00 WT3 H ATOM 46821 H2 TIP3 8505 31.825 24.448 -16.439 1.00 0.00 WT3 H ATOM 46822 OH2 TIP3 8507 67.367 8.801 -0.358 1.00 0.00 WT3 O ATOM 46823 H1 TIP3 8507 68.285 8.529 -0.355 1.00 0.00 WT3 H ATOM 46824 H2 TIP3 8507 66.929 8.171 0.215 1.00 0.00 WT3 H ATOM 46825 OH2 TIP3 8508 83.339 96.331 -15.597 1.00 0.00 WT3 O ATOM 46826 H1 TIP3 8508 83.867 96.176 -16.380 1.00 0.00 WT3 H ATOM 46827 H2 TIP3 8508 83.180 95.458 -15.238 1.00 0.00 WT3 H ATOM 46828 OH2 TIP3 8509 43.153 80.799 -8.148 1.00 0.00 WT3 O ATOM 46829 H1 TIP3 8509 43.827 80.122 -8.197 1.00 0.00 WT3 H ATOM 46830 H2 TIP3 8509 43.477 81.503 -8.710 1.00 0.00 WT3 H ATOM 46831 OH2 TIP3 8510 30.983 75.664 25.118 1.00 0.00 WT3 O ATOM 46832 H1 TIP3 8510 30.098 75.920 24.858 1.00 0.00 WT3 H ATOM 46833 H2 TIP3 8510 31.048 74.742 24.870 1.00 0.00 WT3 H ATOM 46834 OH2 TIP3 8512 38.535 5.700 -11.007 1.00 0.00 WT3 O ATOM 46835 H1 TIP3 8512 38.071 5.445 -11.804 1.00 0.00 WT3 H ATOM 46836 H2 TIP3 8512 38.251 6.599 -10.841 1.00 0.00 WT3 H ATOM 46837 OH2 TIP3 8513 53.383 72.624 -7.339 1.00 0.00 WT3 O ATOM 46838 H1 TIP3 8513 52.912 73.457 -7.323 1.00 0.00 WT3 H ATOM 46839 H2 TIP3 8513 52.804 72.013 -6.882 1.00 0.00 WT3 H ATOM 46840 OH2 TIP3 8514 20.545 60.074 7.323 1.00 0.00 WT3 O ATOM 46841 H1 TIP3 8514 20.942 59.807 8.152 1.00 0.00 WT3 H ATOM 46842 H2 TIP3 8514 21.277 60.109 6.707 1.00 0.00 WT3 H ATOM 46843 OH2 TIP3 8515 41.947 47.184 -18.602 1.00 0.00 WT3 O ATOM 46844 H1 TIP3 8515 42.070 48.107 -18.378 1.00 0.00 WT3 H ATOM 46845 H2 TIP3 8515 42.591 46.720 -18.067 1.00 0.00 WT3 H ATOM 46846 OH2 TIP3 8516 34.815 47.469 1.475 1.00 0.00 WT3 O ATOM 46847 H1 TIP3 8516 35.271 48.311 1.476 1.00 0.00 WT3 H ATOM 46848 H2 TIP3 8516 33.955 47.662 1.847 1.00 0.00 WT3 H ATOM 46849 OH2 TIP3 8517 76.555 74.098 37.518 1.00 0.00 WT3 O ATOM 46850 H1 TIP3 8517 76.536 73.478 36.789 1.00 0.00 WT3 H ATOM 46851 H2 TIP3 8517 76.439 74.955 37.108 1.00 0.00 WT3 H ATOM 46852 OH2 TIP3 8518 59.450 96.218 -9.674 1.00 0.00 WT3 O ATOM 46853 H1 TIP3 8518 58.935 95.472 -9.981 1.00 0.00 WT3 H ATOM 46854 H2 TIP3 8518 59.416 96.847 -10.395 1.00 0.00 WT3 H ATOM 46855 OH2 TIP3 8519 80.066 68.413 12.222 1.00 0.00 WT3 O ATOM 46856 H1 TIP3 8519 80.854 68.957 12.200 1.00 0.00 WT3 H ATOM 46857 H2 TIP3 8519 80.396 67.515 12.259 1.00 0.00 WT3 H ATOM 46858 OH2 TIP3 8520 40.600 81.883 0.117 1.00 0.00 WT3 O ATOM 46859 H1 TIP3 8520 40.775 81.798 1.054 1.00 0.00 WT3 H ATOM 46860 H2 TIP3 8520 41.463 82.009 -0.278 1.00 0.00 WT3 H ATOM 46861 OH2 TIP3 8521 21.635 74.227 -17.746 1.00 0.00 WT3 O ATOM 46862 H1 TIP3 8521 20.722 74.179 -18.029 1.00 0.00 WT3 H ATOM 46863 H2 TIP3 8521 21.619 74.803 -16.982 1.00 0.00 WT3 H ATOM 46864 OH2 TIP3 8522 86.719 57.425 -16.875 1.00 0.00 WT3 O ATOM 46865 H1 TIP3 8522 85.799 57.689 -16.910 1.00 0.00 WT3 H ATOM 46866 H2 TIP3 8522 86.720 56.519 -17.184 1.00 0.00 WT3 H ATOM 46867 OH2 TIP3 8523 90.497 17.251 35.950 1.00 0.00 WT3 O ATOM 46868 H1 TIP3 8523 89.860 17.843 36.349 1.00 0.00 WT3 H ATOM 46869 H2 TIP3 8523 90.950 16.850 36.692 1.00 0.00 WT3 H ATOM 46870 OH2 TIP3 8524 64.960 5.366 41.293 1.00 0.00 WT3 O ATOM 46871 H1 TIP3 8524 65.528 4.598 41.358 1.00 0.00 WT3 H ATOM 46872 H2 TIP3 8524 65.546 6.076 41.031 1.00 0.00 WT3 H ATOM 46873 OH2 TIP3 8525 46.311 82.772 54.138 1.00 0.00 WT3 O ATOM 46874 H1 TIP3 8525 45.982 82.512 54.998 1.00 0.00 WT3 H ATOM 46875 H2 TIP3 8525 47.151 83.193 54.321 1.00 0.00 WT3 H ATOM 46876 OH2 TIP3 8526 23.474 78.636 46.582 1.00 0.00 WT3 O ATOM 46877 H1 TIP3 8526 23.576 78.247 47.451 1.00 0.00 WT3 H ATOM 46878 H2 TIP3 8526 24.350 78.602 46.199 1.00 0.00 WT3 H ATOM 46879 OH2 TIP3 8527 60.122 64.672 62.377 1.00 0.00 WT3 O ATOM 46880 H1 TIP3 8527 60.796 64.847 61.720 1.00 0.00 WT3 H ATOM 46881 H2 TIP3 8527 59.428 64.222 61.895 1.00 0.00 WT3 H ATOM 46882 OH2 TIP3 8528 67.757 47.682 -6.525 1.00 0.00 WT3 O ATOM 46883 H1 TIP3 8528 67.720 48.556 -6.136 1.00 0.00 WT3 H ATOM 46884 H2 TIP3 8528 67.902 47.095 -5.784 1.00 0.00 WT3 H ATOM 46885 OH2 TIP3 8529 40.087 93.846 47.940 1.00 0.00 WT3 O ATOM 46886 H1 TIP3 8529 41.042 93.790 47.947 1.00 0.00 WT3 H ATOM 46887 H2 TIP3 8529 39.895 94.724 48.269 1.00 0.00 WT3 H ATOM 46888 OH2 TIP3 8530 35.166 6.752 -7.771 1.00 0.00 WT3 O ATOM 46889 H1 TIP3 8530 35.307 7.152 -8.629 1.00 0.00 WT3 H ATOM 46890 H2 TIP3 8530 34.244 6.495 -7.775 1.00 0.00 WT3 H ATOM 46891 OH2 TIP3 8531 24.770 67.379 -5.262 1.00 0.00 WT3 O ATOM 46892 H1 TIP3 8531 23.835 67.226 -5.120 1.00 0.00 WT3 H ATOM 46893 H2 TIP3 8531 25.092 67.694 -4.417 1.00 0.00 WT3 H ATOM 46894 OH2 TIP3 8532 59.614 50.007 52.129 1.00 0.00 WT3 O ATOM 46895 H1 TIP3 8532 59.682 49.054 52.066 1.00 0.00 WT3 H ATOM 46896 H2 TIP3 8532 60.520 50.309 52.198 1.00 0.00 WT3 H ATOM 46897 OH2 TIP3 8534 89.384 92.371 12.580 1.00 0.00 WT3 O ATOM 46898 H1 TIP3 8534 89.452 91.782 13.332 1.00 0.00 WT3 H ATOM 46899 H2 TIP3 8534 90.107 92.988 12.692 1.00 0.00 WT3 H ATOM 46900 OH2 TIP3 8535 22.052 35.396 -10.031 1.00 0.00 WT3 O ATOM 46901 H1 TIP3 8535 21.640 36.258 -10.102 1.00 0.00 WT3 H ATOM 46902 H2 TIP3 8535 21.916 34.995 -10.890 1.00 0.00 WT3 H ATOM 46903 OH2 TIP3 8536 34.243 82.718 -13.255 1.00 0.00 WT3 O ATOM 46904 H1 TIP3 8536 34.719 82.479 -14.051 1.00 0.00 WT3 H ATOM 46905 H2 TIP3 8536 34.577 82.120 -12.587 1.00 0.00 WT3 H ATOM 46906 OH2 TIP3 8538 26.047 94.629 -5.658 1.00 0.00 WT3 O ATOM 46907 H1 TIP3 8538 25.920 93.998 -4.950 1.00 0.00 WT3 H ATOM 46908 H2 TIP3 8538 25.904 95.483 -5.248 1.00 0.00 WT3 H ATOM 46909 OH2 TIP3 8539 85.764 5.037 -4.003 1.00 0.00 WT3 O ATOM 46910 H1 TIP3 8539 86.423 5.659 -4.312 1.00 0.00 WT3 H ATOM 46911 H2 TIP3 8539 84.955 5.308 -4.437 1.00 0.00 WT3 H ATOM 46912 OH2 TIP3 8541 83.717 67.206 64.024 1.00 0.00 WT3 O ATOM 46913 H1 TIP3 8541 83.861 67.523 63.133 1.00 0.00 WT3 H ATOM 46914 H2 TIP3 8541 82.913 66.690 63.969 1.00 0.00 WT3 H ATOM 46915 OH2 TIP3 8542 72.429 50.796 0.271 1.00 0.00 WT3 O ATOM 46916 H1 TIP3 8542 71.564 51.117 0.527 1.00 0.00 WT3 H ATOM 46917 H2 TIP3 8542 72.798 50.431 1.076 1.00 0.00 WT3 H ATOM 46918 OH2 TIP3 8543 24.612 91.209 31.723 1.00 0.00 WT3 O ATOM 46919 H1 TIP3 8543 25.247 91.670 32.271 1.00 0.00 WT3 H ATOM 46920 H2 TIP3 8543 24.710 90.288 31.966 1.00 0.00 WT3 H ATOM 46921 OH2 TIP3 8544 31.595 10.731 -7.262 1.00 0.00 WT3 O ATOM 46922 H1 TIP3 8544 31.083 10.037 -7.676 1.00 0.00 WT3 H ATOM 46923 H2 TIP3 8544 32.164 11.058 -7.959 1.00 0.00 WT3 H ATOM 46924 OH2 TIP3 8545 49.604 78.732 26.587 1.00 0.00 WT3 O ATOM 46925 H1 TIP3 8545 50.412 78.689 27.097 1.00 0.00 WT3 H ATOM 46926 H2 TIP3 8545 49.768 78.173 25.827 1.00 0.00 WT3 H ATOM 46927 OH2 TIP3 8546 53.148 62.216 4.531 1.00 0.00 WT3 O ATOM 46928 H1 TIP3 8546 54.096 62.089 4.520 1.00 0.00 WT3 H ATOM 46929 H2 TIP3 8546 52.993 62.923 3.905 1.00 0.00 WT3 H ATOM 46930 OH2 TIP3 8547 78.873 92.309 48.714 1.00 0.00 WT3 O ATOM 46931 H1 TIP3 8547 78.449 91.762 48.053 1.00 0.00 WT3 H ATOM 46932 H2 TIP3 8547 79.128 93.102 48.241 1.00 0.00 WT3 H ATOM 46933 OH2 TIP3 8548 70.331 72.716 52.938 1.00 0.00 WT3 O ATOM 46934 H1 TIP3 8548 69.974 72.200 52.215 1.00 0.00 WT3 H ATOM 46935 H2 TIP3 8548 70.753 73.463 52.514 1.00 0.00 WT3 H ATOM 46936 OH2 TIP3 8549 31.212 37.381 5.690 1.00 0.00 WT3 O ATOM 46937 H1 TIP3 8549 30.423 37.905 5.828 1.00 0.00 WT3 H ATOM 46938 H2 TIP3 8549 31.886 37.821 6.206 1.00 0.00 WT3 H ATOM 46939 OH2 TIP3 8550 59.849 95.347 7.333 1.00 0.00 WT3 O ATOM 46940 H1 TIP3 8550 60.060 95.545 6.420 1.00 0.00 WT3 H ATOM 46941 H2 TIP3 8550 60.454 94.645 7.573 1.00 0.00 WT3 H ATOM 46942 OH2 TIP3 8552 21.827 23.505 10.851 1.00 0.00 WT3 O ATOM 46943 H1 TIP3 8552 22.441 24.060 11.332 1.00 0.00 WT3 H ATOM 46944 H2 TIP3 8552 21.809 22.685 11.344 1.00 0.00 WT3 H ATOM 46945 OH2 TIP3 8554 31.875 93.703 24.487 1.00 0.00 WT3 O ATOM 46946 H1 TIP3 8554 32.551 93.034 24.381 1.00 0.00 WT3 H ATOM 46947 H2 TIP3 8554 32.076 94.355 23.815 1.00 0.00 WT3 H ATOM 46948 OH2 TIP3 8555 30.605 93.458 8.128 1.00 0.00 WT3 O ATOM 46949 H1 TIP3 8555 30.259 93.851 8.928 1.00 0.00 WT3 H ATOM 46950 H2 TIP3 8555 30.976 92.622 8.412 1.00 0.00 WT3 H ATOM 46951 OH2 TIP3 8556 35.316 17.616 25.860 1.00 0.00 WT3 O ATOM 46952 H1 TIP3 8556 36.002 16.989 25.631 1.00 0.00 WT3 H ATOM 46953 H2 TIP3 8556 35.777 18.448 25.968 1.00 0.00 WT3 H ATOM 46954 OH2 TIP3 8557 24.611 54.332 11.613 1.00 0.00 WT3 O ATOM 46955 H1 TIP3 8557 23.720 54.237 11.277 1.00 0.00 WT3 H ATOM 46956 H2 TIP3 8557 24.965 55.087 11.143 1.00 0.00 WT3 H ATOM 46957 OH2 TIP3 8558 84.578 94.678 25.257 1.00 0.00 WT3 O ATOM 46958 H1 TIP3 8558 85.211 93.970 25.142 1.00 0.00 WT3 H ATOM 46959 H2 TIP3 8558 83.727 94.268 25.099 1.00 0.00 WT3 H ATOM 46960 OH2 TIP3 8560 24.410 34.335 -11.043 1.00 0.00 WT3 O ATOM 46961 H1 TIP3 8560 24.319 35.208 -11.425 1.00 0.00 WT3 H ATOM 46962 H2 TIP3 8560 23.513 34.010 -10.970 1.00 0.00 WT3 H ATOM 46963 OH2 TIP3 8561 32.578 45.019 -9.157 1.00 0.00 WT3 O ATOM 46964 H1 TIP3 8561 31.627 44.995 -9.256 1.00 0.00 WT3 H ATOM 46965 H2 TIP3 8561 32.783 45.946 -9.030 1.00 0.00 WT3 H ATOM 46966 OH2 TIP3 8562 41.693 23.893 42.423 1.00 0.00 WT3 O ATOM 46967 H1 TIP3 8562 40.929 24.361 42.761 1.00 0.00 WT3 H ATOM 46968 H2 TIP3 8562 42.414 24.173 42.987 1.00 0.00 WT3 H ATOM 46969 OH2 TIP3 8564 34.286 77.508 -16.170 1.00 0.00 WT3 O ATOM 46970 H1 TIP3 8564 33.458 77.485 -15.690 1.00 0.00 WT3 H ATOM 46971 H2 TIP3 8564 34.446 78.439 -16.328 1.00 0.00 WT3 H ATOM 46972 OH2 TIP3 8565 44.982 80.669 43.170 1.00 0.00 WT3 O ATOM 46973 H1 TIP3 8565 45.092 81.619 43.114 1.00 0.00 WT3 H ATOM 46974 H2 TIP3 8565 45.099 80.361 42.272 1.00 0.00 WT3 H ATOM 46975 OH2 TIP3 8566 35.269 6.411 31.315 1.00 0.00 WT3 O ATOM 46976 H1 TIP3 8566 34.931 6.040 30.500 1.00 0.00 WT3 H ATOM 46977 H2 TIP3 8566 34.532 6.365 31.924 1.00 0.00 WT3 H ATOM 46978 OH2 TIP3 8567 23.916 40.866 -19.207 1.00 0.00 WT3 O ATOM 46979 H1 TIP3 8567 24.785 40.594 -18.912 1.00 0.00 WT3 H ATOM 46980 H2 TIP3 8567 24.081 41.374 -20.002 1.00 0.00 WT3 H ATOM 46981 OH2 TIP3 8571 76.952 80.485 -9.240 1.00 0.00 WT3 O ATOM 46982 H1 TIP3 8571 77.136 79.549 -9.318 1.00 0.00 WT3 H ATOM 46983 H2 TIP3 8571 76.786 80.772 -10.138 1.00 0.00 WT3 H ATOM 46984 OH2 TIP3 8573 66.981 78.300 58.986 1.00 0.00 WT3 O ATOM 46985 H1 TIP3 8573 66.039 78.340 58.820 1.00 0.00 WT3 H ATOM 46986 H2 TIP3 8573 67.383 78.492 58.139 1.00 0.00 WT3 H ATOM 46987 OH2 TIP3 8574 52.359 12.740 40.083 1.00 0.00 WT3 O ATOM 46988 H1 TIP3 8574 53.178 12.650 40.570 1.00 0.00 WT3 H ATOM 46989 H2 TIP3 8574 51.770 12.100 40.483 1.00 0.00 WT3 H ATOM 46990 OH2 TIP3 8577 39.649 33.740 -14.674 1.00 0.00 WT3 O ATOM 46991 H1 TIP3 8577 40.085 34.587 -14.772 1.00 0.00 WT3 H ATOM 46992 H2 TIP3 8577 38.820 33.946 -14.242 1.00 0.00 WT3 H ATOM 46993 OH2 TIP3 8579 63.516 20.129 40.491 1.00 0.00 WT3 O ATOM 46994 H1 TIP3 8579 64.222 19.485 40.540 1.00 0.00 WT3 H ATOM 46995 H2 TIP3 8579 63.276 20.152 39.565 1.00 0.00 WT3 H ATOM 46996 OH2 TIP3 8581 26.684 61.187 40.819 1.00 0.00 WT3 O ATOM 46997 H1 TIP3 8581 27.562 61.389 41.142 1.00 0.00 WT3 H ATOM 46998 H2 TIP3 8581 26.832 60.696 40.011 1.00 0.00 WT3 H ATOM 46999 OH2 TIP3 8582 46.088 0.192 38.073 1.00 0.00 WT3 O ATOM 47000 H1 TIP3 8582 45.166 0.327 38.293 1.00 0.00 WT3 H ATOM 47001 H2 TIP3 8582 46.560 0.395 38.880 1.00 0.00 WT3 H ATOM 47002 OH2 TIP3 8583 86.210 56.654 49.305 1.00 0.00 WT3 O ATOM 47003 H1 TIP3 8583 85.913 55.984 49.921 1.00 0.00 WT3 H ATOM 47004 H2 TIP3 8583 87.163 56.568 49.299 1.00 0.00 WT3 H ATOM 47005 OH2 TIP3 8584 26.990 53.988 -6.260 1.00 0.00 WT3 O ATOM 47006 H1 TIP3 8584 26.481 54.296 -5.510 1.00 0.00 WT3 H ATOM 47007 H2 TIP3 8584 27.807 53.665 -5.880 1.00 0.00 WT3 H ATOM 47008 OH2 TIP3 8585 69.387 45.673 22.554 1.00 0.00 WT3 O ATOM 47009 H1 TIP3 8585 70.221 46.125 22.426 1.00 0.00 WT3 H ATOM 47010 H2 TIP3 8585 68.759 46.374 22.732 1.00 0.00 WT3 H ATOM 47011 OH2 TIP3 8590 52.812 76.837 -18.775 1.00 0.00 WT3 O ATOM 47012 H1 TIP3 8590 52.864 76.517 -17.874 1.00 0.00 WT3 H ATOM 47013 H2 TIP3 8590 52.805 77.790 -18.691 1.00 0.00 WT3 H ATOM 47014 OH2 TIP3 8591 50.939 10.758 43.042 1.00 0.00 WT3 O ATOM 47015 H1 TIP3 8591 50.330 10.318 43.636 1.00 0.00 WT3 H ATOM 47016 H2 TIP3 8591 51.778 10.324 43.194 1.00 0.00 WT3 H ATOM 47017 OH2 TIP3 8594 83.732 4.727 -14.886 1.00 0.00 WT3 O ATOM 47018 H1 TIP3 8594 83.348 4.843 -14.016 1.00 0.00 WT3 H ATOM 47019 H2 TIP3 8594 84.448 5.361 -14.919 1.00 0.00 WT3 H ATOM 47020 OH2 TIP3 8598 75.962 65.472 10.296 1.00 0.00 WT3 O ATOM 47021 H1 TIP3 8598 75.168 65.923 10.585 1.00 0.00 WT3 H ATOM 47022 H2 TIP3 8598 76.674 66.067 10.529 1.00 0.00 WT3 H ATOM 47023 OH2 TIP3 8600 62.869 26.890 37.960 1.00 0.00 WT3 O ATOM 47024 H1 TIP3 8600 62.907 26.904 38.916 1.00 0.00 WT3 H ATOM 47025 H2 TIP3 8600 63.729 26.567 37.691 1.00 0.00 WT3 H ATOM 47026 OH2 TIP3 8602 65.562 28.248 15.664 1.00 0.00 WT3 O ATOM 47027 H1 TIP3 8602 64.957 28.548 14.985 1.00 0.00 WT3 H ATOM 47028 H2 TIP3 8602 66.406 28.173 15.218 1.00 0.00 WT3 H ATOM 47029 OH2 TIP3 8605 25.715 39.724 64.575 1.00 0.00 WT3 O ATOM 47030 H1 TIP3 8605 25.107 39.177 64.077 1.00 0.00 WT3 H ATOM 47031 H2 TIP3 8605 25.223 40.523 64.761 1.00 0.00 WT3 H ATOM 47032 OH2 TIP3 8614 88.702 25.281 48.717 1.00 0.00 WT3 O ATOM 47033 H1 TIP3 8614 88.246 24.909 49.471 1.00 0.00 WT3 H ATOM 47034 H2 TIP3 8614 88.380 24.777 47.969 1.00 0.00 WT3 H ATOM 47035 OH2 TIP3 8615 57.640 71.950 -0.065 1.00 0.00 WT3 O ATOM 47036 H1 TIP3 8615 57.054 71.967 0.691 1.00 0.00 WT3 H ATOM 47037 H2 TIP3 8615 58.321 71.320 0.173 1.00 0.00 WT3 H ATOM 47038 OH2 TIP3 8621 82.682 79.571 53.381 1.00 0.00 WT3 O ATOM 47039 H1 TIP3 8621 82.334 79.304 54.232 1.00 0.00 WT3 H ATOM 47040 H2 TIP3 8621 83.270 80.299 53.580 1.00 0.00 WT3 H ATOM 47041 OH2 TIP3 8625 47.996 76.901 5.811 1.00 0.00 WT3 O ATOM 47042 H1 TIP3 8625 48.909 76.664 5.972 1.00 0.00 WT3 H ATOM 47043 H2 TIP3 8625 47.669 76.216 5.229 1.00 0.00 WT3 H ATOM 47044 OH2 TIP3 8627 66.896 85.711 8.165 1.00 0.00 WT3 O ATOM 47045 H1 TIP3 8627 66.023 85.319 8.152 1.00 0.00 WT3 H ATOM 47046 H2 TIP3 8627 66.785 86.527 8.652 1.00 0.00 WT3 H ATOM 47047 OH2 TIP3 8635 42.192 90.864 48.240 1.00 0.00 WT3 O ATOM 47048 H1 TIP3 8635 41.855 91.033 49.120 1.00 0.00 WT3 H ATOM 47049 H2 TIP3 8635 43.138 90.783 48.357 1.00 0.00 WT3 H ATOM 47050 OH2 TIP3 8637 78.608 9.363 39.114 1.00 0.00 WT3 O ATOM 47051 H1 TIP3 8637 77.809 9.593 39.589 1.00 0.00 WT3 H ATOM 47052 H2 TIP3 8637 78.303 8.852 38.365 1.00 0.00 WT3 H ATOM 47053 OH2 TIP3 8638 29.530 43.057 32.533 1.00 0.00 WT3 O ATOM 47054 H1 TIP3 8638 29.678 42.962 31.592 1.00 0.00 WT3 H ATOM 47055 H2 TIP3 8638 28.846 43.723 32.602 1.00 0.00 WT3 H ATOM 47056 OH2 TIP3 8640 73.369 20.919 33.343 1.00 0.00 WT3 O ATOM 47057 H1 TIP3 8640 73.399 21.664 32.742 1.00 0.00 WT3 H ATOM 47058 H2 TIP3 8640 74.236 20.901 33.747 1.00 0.00 WT3 H ATOM 47059 OH2 TIP3 8645 73.625 69.678 -15.236 1.00 0.00 WT3 O ATOM 47060 H1 TIP3 8645 73.669 70.190 -16.043 1.00 0.00 WT3 H ATOM 47061 H2 TIP3 8645 72.831 69.986 -14.799 1.00 0.00 WT3 H ATOM 47062 OH2 TIP3 8647 57.106 0.317 28.840 1.00 0.00 WT3 O ATOM 47063 H1 TIP3 8647 56.249 0.358 28.416 1.00 0.00 WT3 H ATOM 47064 H2 TIP3 8647 57.520 1.153 28.626 1.00 0.00 WT3 H ATOM 47065 OH2 TIP3 8649 21.564 38.425 7.142 1.00 0.00 WT3 O ATOM 47066 H1 TIP3 8649 22.507 38.562 7.229 1.00 0.00 WT3 H ATOM 47067 H2 TIP3 8649 21.171 39.156 7.620 1.00 0.00 WT3 H ATOM 47068 OH2 TIP3 8669 37.991 7.034 64.846 1.00 0.00 WT3 O ATOM 47069 H1 TIP3 8669 38.888 6.738 65.002 1.00 0.00 WT3 H ATOM 47070 H2 TIP3 8669 37.453 6.257 64.995 1.00 0.00 WT3 H ATOM 47071 OH2 TIP3 8753 90.297 56.221 39.108 1.00 0.00 WT3 O ATOM 47072 H1 TIP3 8753 90.397 55.553 39.786 1.00 0.00 WT3 H ATOM 47073 H2 TIP3 8753 90.993 56.853 39.290 1.00 0.00 WT3 H ATOM 47074 OH2 TIP3 8760 43.754 90.116 -19.207 1.00 0.00 WT3 O ATOM 47075 H1 TIP3 8760 44.615 89.883 -19.554 1.00 0.00 WT3 H ATOM 47076 H2 TIP3 8760 43.135 89.656 -19.773 1.00 0.00 WT3 H ATOM 47077 OH2 TIP3 8762 62.950 21.380 47.132 1.00 0.00 WT3 O ATOM 47078 H1 TIP3 8762 63.629 21.033 46.553 1.00 0.00 WT3 H ATOM 47079 H2 TIP3 8762 62.298 21.754 46.540 1.00 0.00 WT3 H ATOM 47080 OH2 TIP3 8777 46.832 70.058 0.571 1.00 0.00 WT3 O ATOM 47081 H1 TIP3 8777 46.902 70.916 0.989 1.00 0.00 WT3 H ATOM 47082 H2 TIP3 8777 47.615 69.588 0.856 1.00 0.00 WT3 H ATOM 47083 OH2 TIP3 8779 32.245 58.588 -6.910 1.00 0.00 WT3 O ATOM 47084 H1 TIP3 8779 31.354 58.659 -6.567 1.00 0.00 WT3 H ATOM 47085 H2 TIP3 8779 32.795 58.496 -6.132 1.00 0.00 WT3 H ATOM 47086 OH2 TIP3 8780 50.707 71.120 -11.649 1.00 0.00 WT3 O ATOM 47087 H1 TIP3 8780 50.579 70.747 -10.777 1.00 0.00 WT3 H ATOM 47088 H2 TIP3 8780 50.676 70.367 -12.239 1.00 0.00 WT3 H ATOM 47089 OH2 TIP3 8782 74.418 90.821 50.590 1.00 0.00 WT3 O ATOM 47090 H1 TIP3 8782 75.319 90.553 50.769 1.00 0.00 WT3 H ATOM 47091 H2 TIP3 8782 74.440 91.150 49.691 1.00 0.00 WT3 H ATOM 47092 OH2 TIP3 8790 66.151 40.126 38.532 1.00 0.00 WT3 O ATOM 47093 H1 TIP3 8790 66.934 40.016 37.993 1.00 0.00 WT3 H ATOM 47094 H2 TIP3 8790 66.467 40.054 39.432 1.00 0.00 WT3 H ATOM 47095 OH2 TIP3 8792 55.427 2.097 1.200 1.00 0.00 WT3 O ATOM 47096 H1 TIP3 8792 55.143 2.130 2.113 1.00 0.00 WT3 H ATOM 47097 H2 TIP3 8792 54.875 2.740 0.754 1.00 0.00 WT3 H ATOM 47098 OH2 TIP3 8794 22.589 11.439 -14.078 1.00 0.00 WT3 O ATOM 47099 H1 TIP3 8794 22.577 12.371 -14.298 1.00 0.00 WT3 H ATOM 47100 H2 TIP3 8794 22.896 11.009 -14.876 1.00 0.00 WT3 H ATOM 47101 OH2 TIP3 8799 29.211 94.191 -4.281 1.00 0.00 WT3 O ATOM 47102 H1 TIP3 8799 29.719 93.387 -4.171 1.00 0.00 WT3 H ATOM 47103 H2 TIP3 8799 28.305 93.892 -4.362 1.00 0.00 WT3 H ATOM 47104 OH2 TIP3 8801 83.212 40.489 12.728 1.00 0.00 WT3 O ATOM 47105 H1 TIP3 8801 83.038 39.548 12.742 1.00 0.00 WT3 H ATOM 47106 H2 TIP3 8801 83.449 40.703 13.630 1.00 0.00 WT3 H ATOM 47107 OH2 TIP3 8802 53.577 43.580 55.710 1.00 0.00 WT3 O ATOM 47108 H1 TIP3 8802 53.891 44.111 56.441 1.00 0.00 WT3 H ATOM 47109 H2 TIP3 8802 53.128 44.202 55.137 1.00 0.00 WT3 H ATOM 47110 OH2 TIP3 8803 26.933 70.798 -5.942 1.00 0.00 WT3 O ATOM 47111 H1 TIP3 8803 26.622 70.759 -5.038 1.00 0.00 WT3 H ATOM 47112 H2 TIP3 8803 27.817 70.431 -5.908 1.00 0.00 WT3 H ATOM 47113 OH2 TIP3 8807 58.668 87.571 -3.611 1.00 0.00 WT3 O ATOM 47114 H1 TIP3 8807 58.628 86.681 -3.961 1.00 0.00 WT3 H ATOM 47115 H2 TIP3 8807 57.804 87.717 -3.226 1.00 0.00 WT3 H ATOM 47116 OH2 TIP3 8813 33.745 93.857 66.931 1.00 0.00 WT3 O ATOM 47117 H1 TIP3 8813 33.774 93.496 66.045 1.00 0.00 WT3 H ATOM 47118 H2 TIP3 8813 32.843 94.161 67.037 1.00 0.00 WT3 H ATOM 47119 OH2 TIP3 8816 89.957 67.115 -11.668 1.00 0.00 WT3 O ATOM 47120 H1 TIP3 8816 89.616 68.000 -11.795 1.00 0.00 WT3 H ATOM 47121 H2 TIP3 8816 89.194 66.600 -11.403 1.00 0.00 WT3 H ATOM 47122 OH2 TIP3 8820 83.747 65.965 -9.241 1.00 0.00 WT3 O ATOM 47123 H1 TIP3 8820 84.150 66.749 -9.614 1.00 0.00 WT3 H ATOM 47124 H2 TIP3 8820 82.943 66.282 -8.830 1.00 0.00 WT3 H ATOM 47125 OH2 TIP3 8822 75.771 6.816 50.695 1.00 0.00 WT3 O ATOM 47126 H1 TIP3 8822 76.304 6.390 50.023 1.00 0.00 WT3 H ATOM 47127 H2 TIP3 8822 74.875 6.756 50.364 1.00 0.00 WT3 H ATOM 47128 OH2 TIP3 8823 67.843 73.590 43.210 1.00 0.00 WT3 O ATOM 47129 H1 TIP3 8823 68.084 73.282 42.336 1.00 0.00 WT3 H ATOM 47130 H2 TIP3 8823 68.237 74.460 43.274 1.00 0.00 WT3 H ATOM 47131 OH2 TIP3 8824 27.220 55.699 26.180 1.00 0.00 WT3 O ATOM 47132 H1 TIP3 8824 27.868 55.415 25.534 1.00 0.00 WT3 H ATOM 47133 H2 TIP3 8824 26.404 55.285 25.899 1.00 0.00 WT3 H ATOM 47134 OH2 TIP3 8829 87.923 30.373 -14.350 1.00 0.00 WT3 O ATOM 47135 H1 TIP3 8829 87.698 31.145 -13.830 1.00 0.00 WT3 H ATOM 47136 H2 TIP3 8829 87.768 30.641 -15.256 1.00 0.00 WT3 H ATOM 47137 OH2 TIP3 8830 82.683 75.712 -7.786 1.00 0.00 WT3 O ATOM 47138 H1 TIP3 8830 82.686 76.229 -6.981 1.00 0.00 WT3 H ATOM 47139 H2 TIP3 8830 81.936 75.121 -7.688 1.00 0.00 WT3 H ATOM 47140 OH2 TIP3 8831 72.706 76.571 10.296 1.00 0.00 WT3 O ATOM 47141 H1 TIP3 8831 72.295 76.931 9.511 1.00 0.00 WT3 H ATOM 47142 H2 TIP3 8831 72.374 75.675 10.353 1.00 0.00 WT3 H ATOM 47143 OH2 TIP3 8833 66.449 75.508 23.318 1.00 0.00 WT3 O ATOM 47144 H1 TIP3 8833 65.893 75.044 23.945 1.00 0.00 WT3 H ATOM 47145 H2 TIP3 8833 66.908 74.814 22.845 1.00 0.00 WT3 H ATOM 47146 OH2 TIP3 8836 63.157 16.189 13.665 1.00 0.00 WT3 O ATOM 47147 H1 TIP3 8836 62.882 15.322 13.963 1.00 0.00 WT3 H ATOM 47148 H2 TIP3 8836 62.402 16.752 13.836 1.00 0.00 WT3 H ATOM 47149 OH2 TIP3 8837 41.702 33.860 54.820 1.00 0.00 WT3 O ATOM 47150 H1 TIP3 8837 41.895 32.978 54.502 1.00 0.00 WT3 H ATOM 47151 H2 TIP3 8837 41.605 33.758 55.767 1.00 0.00 WT3 H ATOM 47152 OH2 TIP3 8838 39.279 39.600 41.192 1.00 0.00 WT3 O ATOM 47153 H1 TIP3 8838 39.050 40.528 41.128 1.00 0.00 WT3 H ATOM 47154 H2 TIP3 8838 38.754 39.273 41.923 1.00 0.00 WT3 H ATOM 47155 OH2 TIP3 8840 28.206 15.755 65.727 1.00 0.00 WT3 O ATOM 47156 H1 TIP3 8840 28.658 16.229 66.425 1.00 0.00 WT3 H ATOM 47157 H2 TIP3 8840 27.743 16.434 65.236 1.00 0.00 WT3 H ATOM 47158 OH2 TIP3 8842 32.155 1.658 -13.630 1.00 0.00 WT3 O ATOM 47159 H1 TIP3 8842 31.672 1.919 -12.846 1.00 0.00 WT3 H ATOM 47160 H2 TIP3 8842 31.497 1.250 -14.193 1.00 0.00 WT3 H ATOM 47161 OH2 TIP3 8843 52.696 75.915 55.341 1.00 0.00 WT3 O ATOM 47162 H1 TIP3 8843 52.497 74.988 55.467 1.00 0.00 WT3 H ATOM 47163 H2 TIP3 8843 52.790 76.015 54.394 1.00 0.00 WT3 H ATOM 47164 OH2 TIP3 8844 73.867 23.752 62.445 1.00 0.00 WT3 O ATOM 47165 H1 TIP3 8844 73.598 24.467 61.868 1.00 0.00 WT3 H ATOM 47166 H2 TIP3 8844 74.150 24.187 63.250 1.00 0.00 WT3 H ATOM 47167 OH2 TIP3 8845 49.289 25.290 49.205 1.00 0.00 WT3 O ATOM 47168 H1 TIP3 8845 48.656 24.861 49.781 1.00 0.00 WT3 H ATOM 47169 H2 TIP3 8845 49.672 24.576 48.695 1.00 0.00 WT3 H ATOM 47170 OH2 TIP3 8846 59.755 54.087 -16.893 1.00 0.00 WT3 O ATOM 47171 H1 TIP3 8846 58.948 54.531 -17.155 1.00 0.00 WT3 H ATOM 47172 H2 TIP3 8846 59.847 54.286 -15.962 1.00 0.00 WT3 H ATOM 47173 OH2 TIP3 8847 87.654 21.906 -13.707 1.00 0.00 WT3 O ATOM 47174 H1 TIP3 8847 88.541 21.964 -13.351 1.00 0.00 WT3 H ATOM 47175 H2 TIP3 8847 87.204 21.286 -13.132 1.00 0.00 WT3 H ATOM 47176 OH2 TIP3 8848 41.057 53.427 -16.516 1.00 0.00 WT3 O ATOM 47177 H1 TIP3 8848 40.926 53.181 -17.432 1.00 0.00 WT3 H ATOM 47178 H2 TIP3 8848 41.681 54.153 -16.550 1.00 0.00 WT3 H ATOM 47179 OH2 TIP3 8849 67.299 56.379 50.966 1.00 0.00 WT3 O ATOM 47180 H1 TIP3 8849 66.902 55.509 50.928 1.00 0.00 WT3 H ATOM 47181 H2 TIP3 8849 66.911 56.787 51.740 1.00 0.00 WT3 H ATOM 47182 OH2 TIP3 8852 49.776 62.274 51.172 1.00 0.00 WT3 O ATOM 47183 H1 TIP3 8852 49.944 63.039 50.621 1.00 0.00 WT3 H ATOM 47184 H2 TIP3 8852 49.559 61.576 50.554 1.00 0.00 WT3 H ATOM 47185 OH2 TIP3 8855 26.871 73.388 37.940 1.00 0.00 WT3 O ATOM 47186 H1 TIP3 8855 27.533 73.916 37.494 1.00 0.00 WT3 H ATOM 47187 H2 TIP3 8855 26.121 73.391 37.345 1.00 0.00 WT3 H ATOM 47188 OH2 TIP3 8856 65.195 62.308 64.338 1.00 0.00 WT3 O ATOM 47189 H1 TIP3 8856 65.039 61.678 63.635 1.00 0.00 WT3 H ATOM 47190 H2 TIP3 8856 66.005 62.753 64.087 1.00 0.00 WT3 H ATOM 47191 OH2 TIP3 8857 54.133 4.487 32.731 1.00 0.00 WT3 O ATOM 47192 H1 TIP3 8857 53.614 5.264 32.522 1.00 0.00 WT3 H ATOM 47193 H2 TIP3 8857 54.327 4.092 31.881 1.00 0.00 WT3 H ATOM 47194 OH2 TIP3 8859 60.701 30.277 6.237 1.00 0.00 WT3 O ATOM 47195 H1 TIP3 8859 60.299 29.772 6.944 1.00 0.00 WT3 H ATOM 47196 H2 TIP3 8859 60.199 31.092 6.209 1.00 0.00 WT3 H ATOM 47197 OH2 TIP3 8861 24.575 56.152 65.385 1.00 0.00 WT3 O ATOM 47198 H1 TIP3 8861 24.476 55.864 64.478 1.00 0.00 WT3 H ATOM 47199 H2 TIP3 8861 24.982 57.016 65.320 1.00 0.00 WT3 H ATOM 47200 OH2 TIP3 8863 26.709 88.867 58.830 1.00 0.00 WT3 O ATOM 47201 H1 TIP3 8863 25.893 88.438 58.575 1.00 0.00 WT3 H ATOM 47202 H2 TIP3 8863 26.431 89.675 59.261 1.00 0.00 WT3 H ATOM 47203 OH2 TIP3 8864 81.398 81.040 -11.903 1.00 0.00 WT3 O ATOM 47204 H1 TIP3 8864 81.146 80.391 -12.559 1.00 0.00 WT3 H ATOM 47205 H2 TIP3 8864 81.448 80.547 -11.084 1.00 0.00 WT3 H ATOM 47206 OH2 TIP3 8865 33.028 47.461 3.545 1.00 0.00 WT3 O ATOM 47207 H1 TIP3 8865 33.459 47.481 4.400 1.00 0.00 WT3 H ATOM 47208 H2 TIP3 8865 32.307 46.841 3.655 1.00 0.00 WT3 H ATOM 47209 OH2 TIP3 8866 46.482 12.818 -8.625 1.00 0.00 WT3 O ATOM 47210 H1 TIP3 8866 47.344 12.403 -8.603 1.00 0.00 WT3 H ATOM 47211 H2 TIP3 8866 46.624 13.642 -9.093 1.00 0.00 WT3 H ATOM 47212 OH2 TIP3 8867 42.012 45.762 33.385 1.00 0.00 WT3 O ATOM 47213 H1 TIP3 8867 41.486 46.247 32.748 1.00 0.00 WT3 H ATOM 47214 H2 TIP3 8867 42.918 45.933 33.127 1.00 0.00 WT3 H ATOM 47215 OH2 TIP3 8869 54.456 87.076 47.492 1.00 0.00 WT3 O ATOM 47216 H1 TIP3 8869 54.025 86.875 46.661 1.00 0.00 WT3 H ATOM 47217 H2 TIP3 8869 54.726 87.991 47.407 1.00 0.00 WT3 H ATOM 47218 OH2 TIP3 8870 88.408 74.067 -18.005 1.00 0.00 WT3 O ATOM 47219 H1 TIP3 8870 88.932 74.682 -17.492 1.00 0.00 WT3 H ATOM 47220 H2 TIP3 8870 87.792 73.693 -17.376 1.00 0.00 WT3 H ATOM 47221 OH2 TIP3 8871 68.642 60.853 -2.171 1.00 0.00 WT3 O ATOM 47222 H1 TIP3 8871 68.923 59.961 -2.372 1.00 0.00 WT3 H ATOM 47223 H2 TIP3 8871 67.828 60.744 -1.680 1.00 0.00 WT3 H ATOM 47224 OH2 TIP3 8878 43.849 59.001 49.134 1.00 0.00 WT3 O ATOM 47225 H1 TIP3 8878 44.621 58.892 48.579 1.00 0.00 WT3 H ATOM 47226 H2 TIP3 8878 43.437 59.805 48.816 1.00 0.00 WT3 H ATOM 47227 OH2 TIP3 8879 86.394 37.243 57.792 1.00 0.00 WT3 O ATOM 47228 H1 TIP3 8879 87.209 36.810 58.048 1.00 0.00 WT3 H ATOM 47229 H2 TIP3 8879 86.627 37.752 57.016 1.00 0.00 WT3 H ATOM 47230 OH2 TIP3 8881 25.702 57.462 -2.450 1.00 0.00 WT3 O ATOM 47231 H1 TIP3 8881 26.526 57.884 -2.696 1.00 0.00 WT3 H ATOM 47232 H2 TIP3 8881 25.574 56.783 -3.113 1.00 0.00 WT3 H ATOM 47233 OH2 TIP3 8882 71.214 44.731 47.740 1.00 0.00 WT3 O ATOM 47234 H1 TIP3 8882 70.661 44.471 47.004 1.00 0.00 WT3 H ATOM 47235 H2 TIP3 8882 72.013 45.068 47.334 1.00 0.00 WT3 H ATOM 47236 OH2 TIP3 8883 65.659 39.019 8.911 1.00 0.00 WT3 O ATOM 47237 H1 TIP3 8883 65.744 39.523 9.720 1.00 0.00 WT3 H ATOM 47238 H2 TIP3 8883 64.721 38.849 8.831 1.00 0.00 WT3 H ATOM 47239 OH2 TIP3 8884 32.652 31.709 0.263 1.00 0.00 WT3 O ATOM 47240 H1 TIP3 8884 31.992 31.380 0.873 1.00 0.00 WT3 H ATOM 47241 H2 TIP3 8884 32.917 32.553 0.629 1.00 0.00 WT3 H ATOM 47242 OH2 TIP3 8885 66.643 83.917 21.630 1.00 0.00 WT3 O ATOM 47243 H1 TIP3 8885 66.161 83.290 21.089 1.00 0.00 WT3 H ATOM 47244 H2 TIP3 8885 66.039 84.651 21.742 1.00 0.00 WT3 H ATOM 47245 OH2 TIP3 8886 62.782 49.937 -13.874 1.00 0.00 WT3 O ATOM 47246 H1 TIP3 8886 63.097 50.505 -13.170 1.00 0.00 WT3 H ATOM 47247 H2 TIP3 8886 62.752 49.064 -13.482 1.00 0.00 WT3 H ATOM 47248 OH2 TIP3 8887 23.100 4.515 -14.714 1.00 0.00 WT3 O ATOM 47249 H1 TIP3 8887 22.436 4.632 -15.394 1.00 0.00 WT3 H ATOM 47250 H2 TIP3 8887 23.822 5.082 -14.983 1.00 0.00 WT3 H ATOM 47251 OH2 TIP3 8888 39.359 39.469 -4.499 1.00 0.00 WT3 O ATOM 47252 H1 TIP3 8888 39.225 40.363 -4.812 1.00 0.00 WT3 H ATOM 47253 H2 TIP3 8888 39.981 39.088 -5.119 1.00 0.00 WT3 H ATOM 47254 OH2 TIP3 8893 43.368 52.111 -19.618 1.00 0.00 WT3 O ATOM 47255 H1 TIP3 8893 43.564 51.595 -20.399 1.00 0.00 WT3 H ATOM 47256 H2 TIP3 8893 44.185 52.570 -19.422 1.00 0.00 WT3 H ATOM 47257 OH2 TIP3 8894 42.425 85.704 21.679 1.00 0.00 WT3 O ATOM 47258 H1 TIP3 8894 42.298 84.932 21.128 1.00 0.00 WT3 H ATOM 47259 H2 TIP3 8894 43.370 85.858 21.663 1.00 0.00 WT3 H ATOM 47260 OH2 TIP3 8895 77.667 58.764 -18.074 1.00 0.00 WT3 O ATOM 47261 H1 TIP3 8895 78.267 58.473 -17.387 1.00 0.00 WT3 H ATOM 47262 H2 TIP3 8895 77.903 59.679 -18.228 1.00 0.00 WT3 H ATOM 47263 OH2 TIP3 8896 29.489 91.919 -19.373 1.00 0.00 WT3 O ATOM 47264 H1 TIP3 8896 29.508 90.987 -19.153 1.00 0.00 WT3 H ATOM 47265 H2 TIP3 8896 30.394 92.209 -19.261 1.00 0.00 WT3 H ATOM 47266 OH2 TIP3 8897 83.805 13.225 -11.872 1.00 0.00 WT3 O ATOM 47267 H1 TIP3 8897 84.676 13.139 -12.259 1.00 0.00 WT3 H ATOM 47268 H2 TIP3 8897 83.290 13.679 -12.538 1.00 0.00 WT3 H ATOM 47269 OH2 TIP3 8898 34.105 67.882 53.186 1.00 0.00 WT3 O ATOM 47270 H1 TIP3 8898 34.370 68.774 52.957 1.00 0.00 WT3 H ATOM 47271 H2 TIP3 8898 33.271 67.989 53.643 1.00 0.00 WT3 H ATOM 47272 OH2 TIP3 8899 66.352 38.999 60.605 1.00 0.00 WT3 O ATOM 47273 H1 TIP3 8899 66.781 38.280 61.070 1.00 0.00 WT3 H ATOM 47274 H2 TIP3 8899 65.829 39.439 61.274 1.00 0.00 WT3 H ATOM 47275 OH2 TIP3 8900 50.664 89.184 52.740 1.00 0.00 WT3 O ATOM 47276 H1 TIP3 8900 51.523 89.260 52.326 1.00 0.00 WT3 H ATOM 47277 H2 TIP3 8900 50.040 89.313 52.026 1.00 0.00 WT3 H ATOM 47278 OH2 TIP3 8901 31.842 9.733 3.742 1.00 0.00 WT3 O ATOM 47279 H1 TIP3 8901 32.404 9.533 4.490 1.00 0.00 WT3 H ATOM 47280 H2 TIP3 8901 31.193 9.029 3.734 1.00 0.00 WT3 H ATOM 47281 OH2 TIP3 8902 48.359 40.208 29.664 1.00 0.00 WT3 O ATOM 47282 H1 TIP3 8902 47.616 39.791 29.227 1.00 0.00 WT3 H ATOM 47283 H2 TIP3 8902 49.028 40.281 28.983 1.00 0.00 WT3 H ATOM 47284 OH2 TIP3 8903 67.499 39.158 -4.726 1.00 0.00 WT3 O ATOM 47285 H1 TIP3 8903 67.258 38.935 -3.827 1.00 0.00 WT3 H ATOM 47286 H2 TIP3 8903 66.666 39.342 -5.160 1.00 0.00 WT3 H ATOM 47287 OH2 TIP3 8904 87.143 62.128 50.885 1.00 0.00 WT3 O ATOM 47288 H1 TIP3 8904 86.527 62.648 50.369 1.00 0.00 WT3 H ATOM 47289 H2 TIP3 8904 86.729 62.047 51.744 1.00 0.00 WT3 H ATOM 47290 OH2 TIP3 8905 74.360 1.637 10.131 1.00 0.00 WT3 O ATOM 47291 H1 TIP3 8905 73.743 1.938 10.798 1.00 0.00 WT3 H ATOM 47292 H2 TIP3 8905 74.885 0.970 10.573 1.00 0.00 WT3 H ATOM 47293 OH2 TIP3 8907 81.737 49.821 -4.276 1.00 0.00 WT3 O ATOM 47294 H1 TIP3 8907 81.226 50.203 -4.990 1.00 0.00 WT3 H ATOM 47295 H2 TIP3 8907 81.968 50.566 -3.722 1.00 0.00 WT3 H ATOM 47296 OH2 TIP3 8910 56.172 72.350 2.114 1.00 0.00 WT3 O ATOM 47297 H1 TIP3 8910 55.277 72.553 2.386 1.00 0.00 WT3 H ATOM 47298 H2 TIP3 8910 56.686 72.402 2.920 1.00 0.00 WT3 H ATOM 47299 OH2 TIP3 8911 78.318 27.812 4.835 1.00 0.00 WT3 O ATOM 47300 H1 TIP3 8911 77.745 28.542 5.070 1.00 0.00 WT3 H ATOM 47301 H2 TIP3 8911 78.524 27.390 5.669 1.00 0.00 WT3 H ATOM 47302 OH2 TIP3 8912 73.037 21.115 -17.847 1.00 0.00 WT3 O ATOM 47303 H1 TIP3 8912 72.901 21.857 -18.436 1.00 0.00 WT3 H ATOM 47304 H2 TIP3 8912 73.454 20.448 -18.393 1.00 0.00 WT3 H ATOM 47305 OH2 TIP3 8913 49.024 58.435 -13.731 1.00 0.00 WT3 O ATOM 47306 H1 TIP3 8913 49.797 58.757 -14.195 1.00 0.00 WT3 H ATOM 47307 H2 TIP3 8913 48.399 59.159 -13.774 1.00 0.00 WT3 H ATOM 47308 OH2 TIP3 8914 67.436 93.457 -8.005 1.00 0.00 WT3 O ATOM 47309 H1 TIP3 8914 67.378 94.320 -8.415 1.00 0.00 WT3 H ATOM 47310 H2 TIP3 8914 66.845 93.507 -7.254 1.00 0.00 WT3 H ATOM 47311 OH2 TIP3 8915 24.550 77.050 11.208 1.00 0.00 WT3 O ATOM 47312 H1 TIP3 8915 23.666 77.007 11.573 1.00 0.00 WT3 H ATOM 47313 H2 TIP3 8915 25.114 77.214 11.964 1.00 0.00 WT3 H ATOM 47314 OH2 TIP3 8917 75.921 81.030 51.393 1.00 0.00 WT3 O ATOM 47315 H1 TIP3 8917 75.195 81.249 51.977 1.00 0.00 WT3 H ATOM 47316 H2 TIP3 8917 76.170 80.140 51.642 1.00 0.00 WT3 H ATOM 47317 OH2 TIP3 8918 83.074 77.617 30.624 1.00 0.00 WT3 O ATOM 47318 H1 TIP3 8918 83.636 76.923 30.968 1.00 0.00 WT3 H ATOM 47319 H2 TIP3 8918 83.140 77.530 29.673 1.00 0.00 WT3 H ATOM 47320 OH2 TIP3 8919 31.539 75.351 2.685 1.00 0.00 WT3 O ATOM 47321 H1 TIP3 8919 31.098 76.172 2.901 1.00 0.00 WT3 H ATOM 47322 H2 TIP3 8919 31.962 75.520 1.843 1.00 0.00 WT3 H ATOM 47323 OH2 TIP3 8920 31.831 59.335 42.220 1.00 0.00 WT3 O ATOM 47324 H1 TIP3 8920 32.583 59.420 41.634 1.00 0.00 WT3 H ATOM 47325 H2 TIP3 8920 31.633 60.232 42.489 1.00 0.00 WT3 H ATOM 47326 OH2 TIP3 8921 37.163 56.830 30.568 1.00 0.00 WT3 O ATOM 47327 H1 TIP3 8921 37.900 57.220 31.039 1.00 0.00 WT3 H ATOM 47328 H2 TIP3 8921 37.174 57.256 29.711 1.00 0.00 WT3 H ATOM 47329 OH2 TIP3 8922 37.255 64.101 33.847 1.00 0.00 WT3 O ATOM 47330 H1 TIP3 8922 37.148 65.052 33.853 1.00 0.00 WT3 H ATOM 47331 H2 TIP3 8922 38.166 63.963 33.588 1.00 0.00 WT3 H ATOM 47332 OH2 TIP3 8923 22.911 81.323 43.473 1.00 0.00 WT3 O ATOM 47333 H1 TIP3 8923 23.757 81.564 43.850 1.00 0.00 WT3 H ATOM 47334 H2 TIP3 8923 23.025 81.442 42.530 1.00 0.00 WT3 H ATOM 47335 OH2 TIP3 8924 40.730 78.512 -15.830 1.00 0.00 WT3 O ATOM 47336 H1 TIP3 8924 41.680 78.564 -15.728 1.00 0.00 WT3 H ATOM 47337 H2 TIP3 8924 40.409 78.254 -14.966 1.00 0.00 WT3 H ATOM 47338 OH2 TIP3 8926 27.625 93.288 2.654 1.00 0.00 WT3 O ATOM 47339 H1 TIP3 8926 27.314 94.012 3.197 1.00 0.00 WT3 H ATOM 47340 H2 TIP3 8926 27.884 93.700 1.830 1.00 0.00 WT3 H ATOM 47341 OH2 TIP3 8927 83.981 38.704 -8.942 1.00 0.00 WT3 O ATOM 47342 H1 TIP3 8927 83.701 39.006 -8.078 1.00 0.00 WT3 H ATOM 47343 H2 TIP3 8927 84.906 38.945 -8.992 1.00 0.00 WT3 H ATOM 47344 OH2 TIP3 8928 45.548 78.621 64.760 1.00 0.00 WT3 O ATOM 47345 H1 TIP3 8928 45.428 77.683 64.905 1.00 0.00 WT3 H ATOM 47346 H2 TIP3 8928 46.413 78.811 65.124 1.00 0.00 WT3 H ATOM 47347 OH2 TIP3 8929 59.820 34.260 16.269 1.00 0.00 WT3 O ATOM 47348 H1 TIP3 8929 59.293 35.058 16.319 1.00 0.00 WT3 H ATOM 47349 H2 TIP3 8929 59.450 33.774 15.533 1.00 0.00 WT3 H ATOM 47350 OH2 TIP3 8930 33.161 76.947 33.919 1.00 0.00 WT3 O ATOM 47351 H1 TIP3 8930 33.050 77.420 33.095 1.00 0.00 WT3 H ATOM 47352 H2 TIP3 8930 34.091 76.722 33.944 1.00 0.00 WT3 H ATOM 47353 OH2 TIP3 8931 56.522 48.099 56.537 1.00 0.00 WT3 O ATOM 47354 H1 TIP3 8931 56.874 48.344 55.681 1.00 0.00 WT3 H ATOM 47355 H2 TIP3 8931 57.264 48.186 57.135 1.00 0.00 WT3 H ATOM 47356 OH2 TIP3 8932 39.652 92.300 27.287 1.00 0.00 WT3 O ATOM 47357 H1 TIP3 8932 39.886 91.869 26.466 1.00 0.00 WT3 H ATOM 47358 H2 TIP3 8932 40.077 93.157 27.238 1.00 0.00 WT3 H ATOM 47359 OH2 TIP3 8933 47.629 26.865 31.036 1.00 0.00 WT3 O ATOM 47360 H1 TIP3 8933 47.921 27.734 30.762 1.00 0.00 WT3 H ATOM 47361 H2 TIP3 8933 46.756 26.774 30.655 1.00 0.00 WT3 H ATOM 47362 OH2 TIP3 8934 66.155 90.900 23.480 1.00 0.00 WT3 O ATOM 47363 H1 TIP3 8934 65.737 90.345 24.138 1.00 0.00 WT3 H ATOM 47364 H2 TIP3 8934 65.442 91.156 22.895 1.00 0.00 WT3 H ATOM 47365 OH2 TIP3 8935 33.143 57.029 -2.934 1.00 0.00 WT3 O ATOM 47366 H1 TIP3 8935 33.942 57.522 -2.747 1.00 0.00 WT3 H ATOM 47367 H2 TIP3 8935 33.139 56.324 -2.287 1.00 0.00 WT3 H ATOM 47368 OH2 TIP3 8936 56.645 84.420 65.222 1.00 0.00 WT3 O ATOM 47369 H1 TIP3 8936 55.946 84.891 65.676 1.00 0.00 WT3 H ATOM 47370 H2 TIP3 8936 56.645 83.550 65.620 1.00 0.00 WT3 H ATOM 47371 OH2 TIP3 8937 78.780 12.381 43.118 1.00 0.00 WT3 O ATOM 47372 H1 TIP3 8937 79.658 12.721 43.293 1.00 0.00 WT3 H ATOM 47373 H2 TIP3 8937 78.429 12.958 42.441 1.00 0.00 WT3 H ATOM 47374 OH2 TIP3 8938 22.808 32.515 48.349 1.00 0.00 WT3 O ATOM 47375 H1 TIP3 8938 23.615 32.559 47.837 1.00 0.00 WT3 H ATOM 47376 H2 TIP3 8938 22.777 33.348 48.821 1.00 0.00 WT3 H ATOM 47377 OH2 TIP3 8939 40.919 0.940 10.978 1.00 0.00 WT3 O ATOM 47378 H1 TIP3 8939 40.010 0.985 11.274 1.00 0.00 WT3 H ATOM 47379 H2 TIP3 8939 40.950 0.168 10.413 1.00 0.00 WT3 H ATOM 47380 OH2 TIP3 8940 44.500 69.543 -10.761 1.00 0.00 WT3 O ATOM 47381 H1 TIP3 8940 43.947 70.023 -10.144 1.00 0.00 WT3 H ATOM 47382 H2 TIP3 8940 44.940 68.883 -10.226 1.00 0.00 WT3 H ATOM 47383 OH2 TIP3 8941 50.743 91.443 64.135 1.00 0.00 WT3 O ATOM 47384 H1 TIP3 8941 50.420 91.239 63.257 1.00 0.00 WT3 H ATOM 47385 H2 TIP3 8941 50.323 90.795 64.701 1.00 0.00 WT3 H ATOM 47386 OH2 TIP3 8942 51.840 5.274 38.137 1.00 0.00 WT3 O ATOM 47387 H1 TIP3 8942 51.602 4.394 37.847 1.00 0.00 WT3 H ATOM 47388 H2 TIP3 8942 52.721 5.412 37.788 1.00 0.00 WT3 H ATOM 47389 OH2 TIP3 8943 26.242 25.508 -2.459 1.00 0.00 WT3 O ATOM 47390 H1 TIP3 8943 26.581 24.833 -1.872 1.00 0.00 WT3 H ATOM 47391 H2 TIP3 8943 27.016 25.846 -2.908 1.00 0.00 WT3 H ATOM 47392 OH2 TIP3 8944 37.003 95.829 36.411 1.00 0.00 WT3 O ATOM 47393 H1 TIP3 8944 36.104 95.531 36.272 1.00 0.00 WT3 H ATOM 47394 H2 TIP3 8944 37.051 96.669 35.954 1.00 0.00 WT3 H ATOM 47395 OH2 TIP3 8945 68.488 2.837 -16.586 1.00 0.00 WT3 O ATOM 47396 H1 TIP3 8945 68.050 3.380 -15.930 1.00 0.00 WT3 H ATOM 47397 H2 TIP3 8945 69.187 2.396 -16.103 1.00 0.00 WT3 H ATOM 47398 OH2 TIP3 8946 36.772 0.296 41.960 1.00 0.00 WT3 O ATOM 47399 H1 TIP3 8946 36.171 1.024 41.804 1.00 0.00 WT3 H ATOM 47400 H2 TIP3 8946 37.254 0.202 41.139 1.00 0.00 WT3 H ATOM 47401 OH2 TIP3 8947 45.859 42.992 -12.212 1.00 0.00 WT3 O ATOM 47402 H1 TIP3 8947 45.105 43.558 -12.378 1.00 0.00 WT3 H ATOM 47403 H2 TIP3 8947 46.525 43.293 -12.831 1.00 0.00 WT3 H ATOM 47404 OH2 TIP3 8948 46.243 72.617 -19.946 1.00 0.00 WT3 O ATOM 47405 H1 TIP3 8948 46.819 71.878 -19.749 1.00 0.00 WT3 H ATOM 47406 H2 TIP3 8948 46.780 73.391 -19.775 1.00 0.00 WT3 H ATOM 47407 OH2 TIP3 8949 44.413 94.484 0.622 1.00 0.00 WT3 O ATOM 47408 H1 TIP3 8949 43.646 93.948 0.421 1.00 0.00 WT3 H ATOM 47409 H2 TIP3 8949 45.016 94.322 -0.103 1.00 0.00 WT3 H ATOM 47410 OH2 TIP3 8951 25.179 81.651 -15.926 1.00 0.00 WT3 O ATOM 47411 H1 TIP3 8951 25.974 81.680 -15.392 1.00 0.00 WT3 H ATOM 47412 H2 TIP3 8951 25.298 80.888 -16.491 1.00 0.00 WT3 H ATOM 47413 OH2 TIP3 8952 24.058 71.513 31.291 1.00 0.00 WT3 O ATOM 47414 H1 TIP3 8952 24.752 71.618 30.640 1.00 0.00 WT3 H ATOM 47415 H2 TIP3 8952 24.051 72.342 31.770 1.00 0.00 WT3 H ATOM 47416 OH2 TIP3 8953 54.252 5.733 24.343 1.00 0.00 WT3 O ATOM 47417 H1 TIP3 8953 53.322 5.660 24.560 1.00 0.00 WT3 H ATOM 47418 H2 TIP3 8953 54.265 6.160 23.486 1.00 0.00 WT3 H ATOM 47419 OH2 TIP3 8954 60.497 4.458 -0.637 1.00 0.00 WT3 O ATOM 47420 H1 TIP3 8954 60.849 4.804 -1.457 1.00 0.00 WT3 H ATOM 47421 H2 TIP3 8954 60.769 3.540 -0.628 1.00 0.00 WT3 H ATOM 47422 OH2 TIP3 8956 36.461 95.072 33.409 1.00 0.00 WT3 O ATOM 47423 H1 TIP3 8956 35.777 94.418 33.263 1.00 0.00 WT3 H ATOM 47424 H2 TIP3 8956 37.274 94.568 33.428 1.00 0.00 WT3 H ATOM 47425 OH2 TIP3 8958 73.981 82.754 60.026 1.00 0.00 WT3 O ATOM 47426 H1 TIP3 8958 74.848 83.073 60.276 1.00 0.00 WT3 H ATOM 47427 H2 TIP3 8958 73.372 83.286 60.539 1.00 0.00 WT3 H ATOM 47428 OH2 TIP3 8959 55.738 89.202 33.820 1.00 0.00 WT3 O ATOM 47429 H1 TIP3 8959 54.806 89.304 33.627 1.00 0.00 WT3 H ATOM 47430 H2 TIP3 8959 55.790 89.232 34.775 1.00 0.00 WT3 H ATOM 47431 OH2 TIP3 8960 31.939 83.930 48.768 1.00 0.00 WT3 O ATOM 47432 H1 TIP3 8960 31.147 83.565 48.372 1.00 0.00 WT3 H ATOM 47433 H2 TIP3 8960 32.645 83.671 48.175 1.00 0.00 WT3 H ATOM 47434 OH2 TIP3 8961 32.688 71.277 47.614 1.00 0.00 WT3 O ATOM 47435 H1 TIP3 8961 32.233 70.842 46.893 1.00 0.00 WT3 H ATOM 47436 H2 TIP3 8961 33.412 71.742 47.196 1.00 0.00 WT3 H ATOM 47437 OH2 TIP3 8962 74.691 44.005 47.842 1.00 0.00 WT3 O ATOM 47438 H1 TIP3 8962 74.856 43.133 47.484 1.00 0.00 WT3 H ATOM 47439 H2 TIP3 8962 74.958 43.943 48.759 1.00 0.00 WT3 H ATOM 47440 OH2 TIP3 8965 30.835 81.369 7.701 1.00 0.00 WT3 O ATOM 47441 H1 TIP3 8965 30.700 81.355 8.648 1.00 0.00 WT3 H ATOM 47442 H2 TIP3 8965 31.714 81.012 7.579 1.00 0.00 WT3 H ATOM 47443 OH2 TIP3 8966 63.813 6.133 2.080 1.00 0.00 WT3 O ATOM 47444 H1 TIP3 8966 63.528 5.400 2.624 1.00 0.00 WT3 H ATOM 47445 H2 TIP3 8966 63.003 6.499 1.727 1.00 0.00 WT3 H ATOM 47446 OH2 TIP3 8969 35.836 88.501 64.853 1.00 0.00 WT3 O ATOM 47447 H1 TIP3 8969 36.782 88.459 64.711 1.00 0.00 WT3 H ATOM 47448 H2 TIP3 8969 35.456 88.176 64.037 1.00 0.00 WT3 H ATOM 47449 OH2 TIP3 8970 78.278 87.507 46.610 1.00 0.00 WT3 O ATOM 47450 H1 TIP3 8970 78.163 86.575 46.797 1.00 0.00 WT3 H ATOM 47451 H2 TIP3 8970 78.247 87.930 47.468 1.00 0.00 WT3 H ATOM 47452 OH2 TIP3 8971 89.046 81.067 29.611 1.00 0.00 WT3 O ATOM 47453 H1 TIP3 8971 88.704 81.788 29.082 1.00 0.00 WT3 H ATOM 47454 H2 TIP3 8971 89.101 80.329 29.003 1.00 0.00 WT3 H ATOM 47455 OH2 TIP3 8972 55.206 32.098 -12.481 1.00 0.00 WT3 O ATOM 47456 H1 TIP3 8972 54.933 31.385 -11.904 1.00 0.00 WT3 H ATOM 47457 H2 TIP3 8972 55.414 31.670 -13.311 1.00 0.00 WT3 H ATOM 47458 OH2 TIP3 8973 77.252 96.211 15.289 1.00 0.00 WT3 O ATOM 47459 H1 TIP3 8973 77.698 96.338 14.451 1.00 0.00 WT3 H ATOM 47460 H2 TIP3 8973 76.734 95.415 15.166 1.00 0.00 WT3 H ATOM 47461 OH2 TIP3 8974 25.072 14.557 56.013 1.00 0.00 WT3 O ATOM 47462 H1 TIP3 8974 24.211 14.299 55.684 1.00 0.00 WT3 H ATOM 47463 H2 TIP3 8974 25.467 15.048 55.293 1.00 0.00 WT3 H ATOM 47464 OH2 TIP3 8975 37.075 41.424 16.915 1.00 0.00 WT3 O ATOM 47465 H1 TIP3 8975 37.824 41.486 17.508 1.00 0.00 WT3 H ATOM 47466 H2 TIP3 8975 37.421 41.690 16.063 1.00 0.00 WT3 H ATOM 47467 OH2 TIP3 8976 37.823 87.527 37.850 1.00 0.00 WT3 O ATOM 47468 H1 TIP3 8976 38.243 87.763 38.677 1.00 0.00 WT3 H ATOM 47469 H2 TIP3 8976 38.464 86.975 37.403 1.00 0.00 WT3 H ATOM 47470 OH2 TIP3 8977 36.351 87.100 -6.147 1.00 0.00 WT3 O ATOM 47471 H1 TIP3 8977 36.978 86.397 -6.321 1.00 0.00 WT3 H ATOM 47472 H2 TIP3 8977 35.495 86.676 -6.201 1.00 0.00 WT3 H ATOM 47473 OH2 TIP3 8978 32.144 13.674 -14.654 1.00 0.00 WT3 O ATOM 47474 H1 TIP3 8978 32.967 13.188 -14.696 1.00 0.00 WT3 H ATOM 47475 H2 TIP3 8978 31.819 13.673 -15.554 1.00 0.00 WT3 H ATOM 47476 OH2 TIP3 8979 67.113 66.516 38.197 1.00 0.00 WT3 O ATOM 47477 H1 TIP3 8979 67.306 65.601 37.995 1.00 0.00 WT3 H ATOM 47478 H2 TIP3 8979 66.159 66.577 38.143 1.00 0.00 WT3 H ATOM 47479 OH2 TIP3 8980 88.351 26.164 62.709 1.00 0.00 WT3 O ATOM 47480 H1 TIP3 8980 88.795 25.436 63.144 1.00 0.00 WT3 H ATOM 47481 H2 TIP3 8980 88.760 26.948 63.077 1.00 0.00 WT3 H ATOM 47482 OH2 TIP3 8981 75.377 89.386 21.413 1.00 0.00 WT3 O ATOM 47483 H1 TIP3 8981 74.847 88.588 21.428 1.00 0.00 WT3 H ATOM 47484 H2 TIP3 8981 75.409 89.670 22.327 1.00 0.00 WT3 H ATOM 47485 OH2 TIP3 8982 75.471 71.058 27.510 1.00 0.00 WT3 O ATOM 47486 H1 TIP3 8982 75.471 70.452 28.252 1.00 0.00 WT3 H ATOM 47487 H2 TIP3 8982 74.550 71.293 27.393 1.00 0.00 WT3 H ATOM 47488 OH2 TIP3 8983 58.060 3.604 8.388 1.00 0.00 WT3 O ATOM 47489 H1 TIP3 8983 57.136 3.466 8.182 1.00 0.00 WT3 H ATOM 47490 H2 TIP3 8983 58.247 2.975 9.085 1.00 0.00 WT3 H ATOM 47491 OH2 TIP3 8984 67.231 49.809 33.681 1.00 0.00 WT3 O ATOM 47492 H1 TIP3 8984 66.797 50.649 33.535 1.00 0.00 WT3 H ATOM 47493 H2 TIP3 8984 66.946 49.261 32.950 1.00 0.00 WT3 H ATOM 47494 OH2 TIP3 8985 74.149 28.353 63.544 1.00 0.00 WT3 O ATOM 47495 H1 TIP3 8985 73.322 27.901 63.377 1.00 0.00 WT3 H ATOM 47496 H2 TIP3 8985 74.282 28.904 62.773 1.00 0.00 WT3 H ATOM 47497 OH2 TIP3 8986 71.480 30.256 5.437 1.00 0.00 WT3 O ATOM 47498 H1 TIP3 8986 71.596 30.517 6.351 1.00 0.00 WT3 H ATOM 47499 H2 TIP3 8986 71.290 29.319 5.478 1.00 0.00 WT3 H ATOM 47500 OH2 TIP3 8987 22.222 9.195 55.185 1.00 0.00 WT3 O ATOM 47501 H1 TIP3 8987 22.266 9.969 55.746 1.00 0.00 WT3 H ATOM 47502 H2 TIP3 8987 22.949 8.645 55.477 1.00 0.00 WT3 H ATOM 47503 OH2 TIP3 8988 57.054 93.346 1.808 1.00 0.00 WT3 O ATOM 47504 H1 TIP3 8988 56.330 93.546 2.401 1.00 0.00 WT3 H ATOM 47505 H2 TIP3 8988 57.788 93.139 2.386 1.00 0.00 WT3 H ATOM 47506 OH2 TIP3 8992 32.065 71.192 37.939 1.00 0.00 WT3 O ATOM 47507 H1 TIP3 8992 31.694 70.487 37.408 1.00 0.00 WT3 H ATOM 47508 H2 TIP3 8992 32.967 71.276 37.630 1.00 0.00 WT3 H ATOM 47509 OH2 TIP3 8993 77.532 72.907 54.007 1.00 0.00 WT3 O ATOM 47510 H1 TIP3 8993 77.316 72.986 54.936 1.00 0.00 WT3 H ATOM 47511 H2 TIP3 8993 76.700 73.048 53.555 1.00 0.00 WT3 H ATOM 47512 OH2 TIP3 8995 52.056 88.374 43.355 1.00 0.00 WT3 O ATOM 47513 H1 TIP3 8995 51.896 88.342 42.411 1.00 0.00 WT3 H ATOM 47514 H2 TIP3 8995 51.217 88.641 43.731 1.00 0.00 WT3 H ATOM 47515 OH2 TIP3 8996 83.803 26.158 37.940 1.00 0.00 WT3 O ATOM 47516 H1 TIP3 8996 82.862 26.201 37.774 1.00 0.00 WT3 H ATOM 47517 H2 TIP3 8996 84.120 25.470 37.354 1.00 0.00 WT3 H ATOM 47518 OH2 TIP3 8997 32.728 7.963 46.626 1.00 0.00 WT3 O ATOM 47519 H1 TIP3 8997 33.327 8.697 46.763 1.00 0.00 WT3 H ATOM 47520 H2 TIP3 8997 33.256 7.302 46.178 1.00 0.00 WT3 H ATOM 47521 OH2 TIP3 8998 69.284 19.764 -14.307 1.00 0.00 WT3 O ATOM 47522 H1 TIP3 8998 69.486 20.164 -13.461 1.00 0.00 WT3 H ATOM 47523 H2 TIP3 8998 69.731 20.318 -14.947 1.00 0.00 WT3 H ATOM 47524 OH2 TIP3 9001 26.895 44.531 11.130 1.00 0.00 WT3 O ATOM 47525 H1 TIP3 9001 26.453 45.276 11.537 1.00 0.00 WT3 H ATOM 47526 H2 TIP3 9001 27.188 43.994 11.867 1.00 0.00 WT3 H ATOM 47527 OH2 TIP3 9003 82.737 31.183 25.710 1.00 0.00 WT3 O ATOM 47528 H1 TIP3 9003 82.610 30.590 26.450 1.00 0.00 WT3 H ATOM 47529 H2 TIP3 9003 82.417 32.029 26.023 1.00 0.00 WT3 H ATOM 47530 OH2 TIP3 9004 29.659 90.010 17.320 1.00 0.00 WT3 O ATOM 47531 H1 TIP3 9004 28.941 89.377 17.283 1.00 0.00 WT3 H ATOM 47532 H2 TIP3 9004 30.202 89.800 16.560 1.00 0.00 WT3 H ATOM 47533 OH2 TIP3 9006 54.070 20.487 32.519 1.00 0.00 WT3 O ATOM 47534 H1 TIP3 9006 53.887 19.570 32.313 1.00 0.00 WT3 H ATOM 47535 H2 TIP3 9006 53.848 20.961 31.718 1.00 0.00 WT3 H ATOM 47536 OH2 TIP3 9008 64.786 29.592 66.487 1.00 0.00 WT3 O ATOM 47537 H1 TIP3 9008 64.906 30.351 65.915 1.00 0.00 WT3 H ATOM 47538 H2 TIP3 9008 63.887 29.670 66.804 1.00 0.00 WT3 H ATOM 47539 OH2 TIP3 9009 20.880 58.068 25.928 1.00 0.00 WT3 O ATOM 47540 H1 TIP3 9009 21.272 58.658 26.573 1.00 0.00 WT3 H ATOM 47541 H2 TIP3 9009 21.564 57.941 25.272 1.00 0.00 WT3 H ATOM 47542 OH2 TIP3 9010 62.333 28.907 -19.199 1.00 0.00 WT3 O ATOM 47543 H1 TIP3 9010 61.702 29.626 -19.162 1.00 0.00 WT3 H ATOM 47544 H2 TIP3 9010 61.866 28.158 -18.829 1.00 0.00 WT3 H ATOM 47545 OH2 TIP3 9014 55.179 25.502 -6.595 1.00 0.00 WT3 O ATOM 47546 H1 TIP3 9014 54.877 26.104 -5.914 1.00 0.00 WT3 H ATOM 47547 H2 TIP3 9014 54.638 24.720 -6.480 1.00 0.00 WT3 H ATOM 47548 OH2 TIP3 9015 82.557 53.159 15.464 1.00 0.00 WT3 O ATOM 47549 H1 TIP3 9015 82.070 52.696 14.782 1.00 0.00 WT3 H ATOM 47550 H2 TIP3 9015 82.877 52.467 16.042 1.00 0.00 WT3 H ATOM 47551 OH2 TIP3 9017 25.501 80.686 19.418 1.00 0.00 WT3 O ATOM 47552 H1 TIP3 9017 24.590 80.968 19.502 1.00 0.00 WT3 H ATOM 47553 H2 TIP3 9017 25.513 79.802 19.784 1.00 0.00 WT3 H ATOM 47554 OH2 TIP3 9018 23.925 37.884 63.251 1.00 0.00 WT3 O ATOM 47555 H1 TIP3 9018 23.640 37.225 63.884 1.00 0.00 WT3 H ATOM 47556 H2 TIP3 9018 24.439 37.394 62.609 1.00 0.00 WT3 H ATOM 47557 OH2 TIP3 9019 60.674 8.756 -1.139 1.00 0.00 WT3 O ATOM 47558 H1 TIP3 9019 60.283 9.563 -0.804 1.00 0.00 WT3 H ATOM 47559 H2 TIP3 9019 61.539 9.020 -1.452 1.00 0.00 WT3 H ATOM 47560 OH2 TIP3 9020 30.781 62.063 65.542 1.00 0.00 WT3 O ATOM 47561 H1 TIP3 9020 31.221 62.012 66.390 1.00 0.00 WT3 H ATOM 47562 H2 TIP3 9020 31.075 61.284 65.071 1.00 0.00 WT3 H ATOM 47563 OH2 TIP3 9022 72.100 49.218 34.756 1.00 0.00 WT3 O ATOM 47564 H1 TIP3 9022 71.834 49.591 35.597 1.00 0.00 WT3 H ATOM 47565 H2 TIP3 9022 71.289 49.163 34.251 1.00 0.00 WT3 H ATOM 47566 OH2 TIP3 9023 58.808 8.024 43.513 1.00 0.00 WT3 O ATOM 47567 H1 TIP3 9023 59.288 7.196 43.486 1.00 0.00 WT3 H ATOM 47568 H2 TIP3 9023 59.149 8.474 44.286 1.00 0.00 WT3 H ATOM 47569 OH2 TIP3 9024 38.926 45.240 19.790 1.00 0.00 WT3 O ATOM 47570 H1 TIP3 9024 38.971 44.980 20.710 1.00 0.00 WT3 H ATOM 47571 H2 TIP3 9024 39.833 45.202 19.486 1.00 0.00 WT3 H ATOM 47572 OH2 TIP3 9026 26.928 95.971 46.277 1.00 0.00 WT3 O ATOM 47573 H1 TIP3 9026 26.283 96.471 46.778 1.00 0.00 WT3 H ATOM 47574 H2 TIP3 9026 26.749 95.057 46.500 1.00 0.00 WT3 H ATOM 47575 OH2 TIP3 9027 61.178 54.303 20.327 1.00 0.00 WT3 O ATOM 47576 H1 TIP3 9027 61.209 54.283 19.370 1.00 0.00 WT3 H ATOM 47577 H2 TIP3 9027 60.549 54.994 20.532 1.00 0.00 WT3 H ATOM 47578 OH2 TIP3 9030 39.724 77.354 22.906 1.00 0.00 WT3 O ATOM 47579 H1 TIP3 9030 39.721 76.498 23.334 1.00 0.00 WT3 H ATOM 47580 H2 TIP3 9030 40.621 77.462 22.591 1.00 0.00 WT3 H ATOM 47581 OH2 TIP3 9039 84.637 81.497 46.337 1.00 0.00 WT3 O ATOM 47582 H1 TIP3 9039 85.524 81.423 46.689 1.00 0.00 WT3 H ATOM 47583 H2 TIP3 9039 84.582 80.805 45.678 1.00 0.00 WT3 H ATOM 47584 OH2 TIP3 9041 38.871 78.933 34.185 1.00 0.00 WT3 O ATOM 47585 H1 TIP3 9041 39.420 78.155 34.274 1.00 0.00 WT3 H ATOM 47586 H2 TIP3 9041 39.301 79.453 33.506 1.00 0.00 WT3 H ATOM 47587 OH2 TIP3 9042 88.003 91.980 26.577 1.00 0.00 WT3 O ATOM 47588 H1 TIP3 9042 88.045 91.799 25.638 1.00 0.00 WT3 H ATOM 47589 H2 TIP3 9042 87.175 92.447 26.695 1.00 0.00 WT3 H ATOM 47590 OH2 TIP3 9047 41.773 20.457 64.189 1.00 0.00 WT3 O ATOM 47591 H1 TIP3 9047 41.106 19.972 63.703 1.00 0.00 WT3 H ATOM 47592 H2 TIP3 9047 42.502 20.544 63.576 1.00 0.00 WT3 H ATOM 47593 OH2 TIP3 9050 30.976 83.743 4.444 1.00 0.00 WT3 O ATOM 47594 H1 TIP3 9050 30.860 84.041 5.346 1.00 0.00 WT3 H ATOM 47595 H2 TIP3 9050 30.850 82.795 4.486 1.00 0.00 WT3 H ATOM 47596 OH2 TIP3 9053 34.281 83.225 52.362 1.00 0.00 WT3 O ATOM 47597 H1 TIP3 9053 33.408 83.552 52.579 1.00 0.00 WT3 H ATOM 47598 H2 TIP3 9053 34.751 83.991 52.033 1.00 0.00 WT3 H ATOM 47599 OH2 TIP3 9054 46.739 56.075 2.849 1.00 0.00 WT3 O ATOM 47600 H1 TIP3 9054 47.427 56.739 2.896 1.00 0.00 WT3 H ATOM 47601 H2 TIP3 9054 47.143 55.286 3.209 1.00 0.00 WT3 H ATOM 47602 OH2 TIP3 9055 63.338 3.642 26.420 1.00 0.00 WT3 O ATOM 47603 H1 TIP3 9055 63.368 2.911 27.037 1.00 0.00 WT3 H ATOM 47604 H2 TIP3 9055 63.900 4.310 26.812 1.00 0.00 WT3 H ATOM 47605 OH2 TIP3 9057 61.208 60.347 42.608 1.00 0.00 WT3 O ATOM 47606 H1 TIP3 9057 60.837 61.191 42.350 1.00 0.00 WT3 H ATOM 47607 H2 TIP3 9057 60.473 59.736 42.555 1.00 0.00 WT3 H ATOM 47608 OH2 TIP3 9060 30.784 5.049 21.139 1.00 0.00 WT3 O ATOM 47609 H1 TIP3 9060 30.014 4.959 21.701 1.00 0.00 WT3 H ATOM 47610 H2 TIP3 9060 31.263 5.792 21.506 1.00 0.00 WT3 H ATOM 47611 OH2 TIP3 9061 84.459 43.364 3.145 1.00 0.00 WT3 O ATOM 47612 H1 TIP3 9061 84.989 43.937 2.591 1.00 0.00 WT3 H ATOM 47613 H2 TIP3 9061 83.649 43.854 3.290 1.00 0.00 WT3 H ATOM 47614 OH2 TIP3 9063 66.754 32.667 8.149 1.00 0.00 WT3 O ATOM 47615 H1 TIP3 9063 65.931 33.157 8.157 1.00 0.00 WT3 H ATOM 47616 H2 TIP3 9063 67.408 33.301 7.856 1.00 0.00 WT3 H ATOM 47617 OH2 TIP3 9066 39.378 7.909 -1.795 1.00 0.00 WT3 O ATOM 47618 H1 TIP3 9066 38.788 8.629 -2.016 1.00 0.00 WT3 H ATOM 47619 H2 TIP3 9066 38.895 7.393 -1.149 1.00 0.00 WT3 H ATOM 47620 OH2 TIP3 9067 81.079 17.892 -19.942 1.00 0.00 WT3 O ATOM 47621 H1 TIP3 9067 82.028 17.816 -20.039 1.00 0.00 WT3 H ATOM 47622 H2 TIP3 9067 80.953 18.199 -19.044 1.00 0.00 WT3 H ATOM 47623 OH2 TIP3 9070 58.125 91.163 -3.919 1.00 0.00 WT3 O ATOM 47624 H1 TIP3 9070 58.932 90.647 -3.910 1.00 0.00 WT3 H ATOM 47625 H2 TIP3 9070 58.321 91.923 -3.370 1.00 0.00 WT3 H ATOM 47626 OH2 TIP3 9072 85.634 68.093 -10.985 1.00 0.00 WT3 O ATOM 47627 H1 TIP3 9072 85.919 68.916 -10.588 1.00 0.00 WT3 H ATOM 47628 H2 TIP3 9072 85.215 68.355 -11.806 1.00 0.00 WT3 H ATOM 47629 OH2 TIP3 9082 84.298 89.475 60.323 1.00 0.00 WT3 O ATOM 47630 H1 TIP3 9082 84.004 88.783 60.915 1.00 0.00 WT3 H ATOM 47631 H2 TIP3 9082 84.226 89.091 59.449 1.00 0.00 WT3 H ATOM 47632 OH2 TIP3 9084 54.340 8.585 60.235 1.00 0.00 WT3 O ATOM 47633 H1 TIP3 9084 53.392 8.463 60.177 1.00 0.00 WT3 H ATOM 47634 H2 TIP3 9084 54.703 7.932 59.636 1.00 0.00 WT3 H ATOM 47635 OH2 TIP3 9090 87.417 66.616 65.348 1.00 0.00 WT3 O ATOM 47636 H1 TIP3 9090 87.464 65.757 64.930 1.00 0.00 WT3 H ATOM 47637 H2 TIP3 9090 87.715 66.463 66.245 1.00 0.00 WT3 H ATOM 47638 OH2 TIP3 9094 63.931 76.056 26.992 1.00 0.00 WT3 O ATOM 47639 H1 TIP3 9094 63.067 75.775 27.293 1.00 0.00 WT3 H ATOM 47640 H2 TIP3 9094 64.308 75.277 26.583 1.00 0.00 WT3 H ATOM 47641 OH2 TIP3 9096 67.268 76.996 13.136 1.00 0.00 WT3 O ATOM 47642 H1 TIP3 9096 66.535 76.696 13.674 1.00 0.00 WT3 H ATOM 47643 H2 TIP3 9096 66.858 77.355 12.349 1.00 0.00 WT3 H ATOM 47644 OH2 TIP3 9109 62.555 56.408 53.165 1.00 0.00 WT3 O ATOM 47645 H1 TIP3 9109 62.351 55.481 53.042 1.00 0.00 WT3 H ATOM 47646 H2 TIP3 9109 63.316 56.563 52.605 1.00 0.00 WT3 H ATOM 47647 OH2 TIP3 9117 86.502 23.188 35.750 1.00 0.00 WT3 O ATOM 47648 H1 TIP3 9117 86.983 23.396 36.551 1.00 0.00 WT3 H ATOM 47649 H2 TIP3 9117 87.030 23.568 35.048 1.00 0.00 WT3 H ATOM 47650 OH2 TIP3 9129 75.666 57.856 -8.799 1.00 0.00 WT3 O ATOM 47651 H1 TIP3 9129 75.381 58.433 -8.091 1.00 0.00 WT3 H ATOM 47652 H2 TIP3 9129 74.977 57.194 -8.862 1.00 0.00 WT3 H ATOM 47653 OH2 TIP3 9137 65.131 40.763 20.986 1.00 0.00 WT3 O ATOM 47654 H1 TIP3 9137 64.465 40.475 21.611 1.00 0.00 WT3 H ATOM 47655 H2 TIP3 9137 65.362 39.971 20.500 1.00 0.00 WT3 H ATOM 47656 OH2 TIP3 9146 65.258 11.456 41.932 1.00 0.00 WT3 O ATOM 47657 H1 TIP3 9146 65.577 11.398 41.032 1.00 0.00 WT3 H ATOM 47658 H2 TIP3 9146 64.305 11.424 41.852 1.00 0.00 WT3 H ATOM 47659 OH2 TIP3 9151 45.591 80.654 14.834 1.00 0.00 WT3 O ATOM 47660 H1 TIP3 9151 44.851 80.132 14.524 1.00 0.00 WT3 H ATOM 47661 H2 TIP3 9151 45.394 80.827 15.754 1.00 0.00 WT3 H ATOM 47662 OH2 TIP3 9165 80.984 60.281 -13.571 1.00 0.00 WT3 O ATOM 47663 H1 TIP3 9165 80.530 61.009 -13.994 1.00 0.00 WT3 H ATOM 47664 H2 TIP3 9165 80.528 60.166 -12.737 1.00 0.00 WT3 H ATOM 47665 OH2 TIP3 9168 36.376 38.978 -5.748 1.00 0.00 WT3 O ATOM 47666 H1 TIP3 9168 36.009 39.859 -5.665 1.00 0.00 WT3 H ATOM 47667 H2 TIP3 9168 37.242 39.040 -5.344 1.00 0.00 WT3 H ATOM 47668 OH2 TIP3 9169 88.063 39.798 19.500 1.00 0.00 WT3 O ATOM 47669 H1 TIP3 9169 87.942 39.307 18.687 1.00 0.00 WT3 H ATOM 47670 H2 TIP3 9169 88.088 40.715 19.225 1.00 0.00 WT3 H ATOM 47671 OH2 TIP3 9178 89.705 43.193 43.871 1.00 0.00 WT3 O ATOM 47672 H1 TIP3 9178 89.436 44.088 43.665 1.00 0.00 WT3 H ATOM 47673 H2 TIP3 9178 90.181 43.269 44.697 1.00 0.00 WT3 H ATOM 47674 OH2 TIP3 9201 34.863 89.849 55.143 1.00 0.00 WT3 O ATOM 47675 H1 TIP3 9201 34.333 90.624 55.334 1.00 0.00 WT3 H ATOM 47676 H2 TIP3 9201 34.831 89.766 54.190 1.00 0.00 WT3 H ATOM 47677 OH2 TIP3 9210 36.394 34.160 26.542 1.00 0.00 WT3 O ATOM 47678 H1 TIP3 9210 36.972 34.884 26.782 1.00 0.00 WT3 H ATOM 47679 H2 TIP3 9210 36.810 33.764 25.776 1.00 0.00 WT3 H ATOM 47680 OH2 TIP3 9212 88.011 65.318 30.733 1.00 0.00 WT3 O ATOM 47681 H1 TIP3 9212 87.078 65.441 30.560 1.00 0.00 WT3 H ATOM 47682 H2 TIP3 9212 88.166 64.389 30.560 1.00 0.00 WT3 H ATOM 47683 OH2 TIP3 9214 78.096 55.322 40.185 1.00 0.00 WT3 O ATOM 47684 H1 TIP3 9214 77.397 55.677 39.636 1.00 0.00 WT3 H ATOM 47685 H2 TIP3 9214 77.747 54.494 40.513 1.00 0.00 WT3 H ATOM 47686 OH2 TIP3 9226 72.998 51.444 -5.100 1.00 0.00 WT3 O ATOM 47687 H1 TIP3 9226 72.337 51.156 -4.470 1.00 0.00 WT3 H ATOM 47688 H2 TIP3 9226 73.624 51.946 -4.578 1.00 0.00 WT3 H ATOM 47689 OH2 TIP3 9230 45.234 81.383 59.811 1.00 0.00 WT3 O ATOM 47690 H1 TIP3 9230 44.747 80.559 59.777 1.00 0.00 WT3 H ATOM 47691 H2 TIP3 9230 46.019 81.177 60.319 1.00 0.00 WT3 H ATOM 47692 OH2 TIP3 9231 51.074 2.550 -10.388 1.00 0.00 WT3 O ATOM 47693 H1 TIP3 9231 51.981 2.632 -10.682 1.00 0.00 WT3 H ATOM 47694 H2 TIP3 9231 50.957 1.612 -10.232 1.00 0.00 WT3 H ATOM 47695 OH2 TIP3 9234 83.752 80.865 14.646 1.00 0.00 WT3 O ATOM 47696 H1 TIP3 9234 83.835 81.572 15.286 1.00 0.00 WT3 H ATOM 47697 H2 TIP3 9234 83.026 80.333 14.970 1.00 0.00 WT3 H ATOM 47698 OH2 TIP3 9240 23.683 84.055 14.178 1.00 0.00 WT3 O ATOM 47699 H1 TIP3 9240 23.238 84.482 13.445 1.00 0.00 WT3 H ATOM 47700 H2 TIP3 9240 24.536 84.487 14.225 1.00 0.00 WT3 H ATOM 47701 OH2 TIP3 9241 30.234 63.321 52.226 1.00 0.00 WT3 O ATOM 47702 H1 TIP3 9241 30.410 62.611 51.609 1.00 0.00 WT3 H ATOM 47703 H2 TIP3 9241 29.740 63.964 51.716 1.00 0.00 WT3 H ATOM 47704 OH2 TIP3 9243 48.669 91.925 53.758 1.00 0.00 WT3 O ATOM 47705 H1 TIP3 9243 47.922 91.349 53.599 1.00 0.00 WT3 H ATOM 47706 H2 TIP3 9243 48.654 92.082 54.702 1.00 0.00 WT3 H ATOM 47707 OH2 TIP3 9246 83.083 64.050 14.339 1.00 0.00 WT3 O ATOM 47708 H1 TIP3 9246 83.438 64.718 14.927 1.00 0.00 WT3 H ATOM 47709 H2 TIP3 9246 83.817 63.458 14.178 1.00 0.00 WT3 H ATOM 47710 OH2 TIP3 9250 37.186 55.958 -1.116 1.00 0.00 WT3 O ATOM 47711 H1 TIP3 9250 37.735 56.205 -1.861 1.00 0.00 WT3 H ATOM 47712 H2 TIP3 9250 37.755 55.417 -0.569 1.00 0.00 WT3 H ATOM 47713 OH2 TIP3 9252 36.439 75.278 55.675 1.00 0.00 WT3 O ATOM 47714 H1 TIP3 9252 36.849 76.114 55.898 1.00 0.00 WT3 H ATOM 47715 H2 TIP3 9252 36.630 75.158 54.745 1.00 0.00 WT3 H ATOM 47716 OH2 TIP3 9253 64.358 35.744 22.411 1.00 0.00 WT3 O ATOM 47717 H1 TIP3 9253 63.451 35.943 22.643 1.00 0.00 WT3 H ATOM 47718 H2 TIP3 9253 64.438 34.799 22.538 1.00 0.00 WT3 H ATOM 47719 OH2 TIP3 9255 65.953 67.418 0.416 1.00 0.00 WT3 O ATOM 47720 H1 TIP3 9255 65.568 67.881 -0.328 1.00 0.00 WT3 H ATOM 47721 H2 TIP3 9255 66.891 67.600 0.353 1.00 0.00 WT3 H ATOM 47722 OH2 TIP3 9257 84.050 52.877 39.522 1.00 0.00 WT3 O ATOM 47723 H1 TIP3 9257 84.508 53.056 38.701 1.00 0.00 WT3 H ATOM 47724 H2 TIP3 9257 84.280 53.612 40.090 1.00 0.00 WT3 H ATOM 47725 OH2 TIP3 9260 72.121 16.566 49.337 1.00 0.00 WT3 O ATOM 47726 H1 TIP3 9260 71.557 17.286 49.055 1.00 0.00 WT3 H ATOM 47727 H2 TIP3 9260 72.065 16.578 50.292 1.00 0.00 WT3 H ATOM 47728 OH2 TIP3 9261 69.232 70.985 -16.074 1.00 0.00 WT3 O ATOM 47729 H1 TIP3 9261 69.083 70.096 -16.395 1.00 0.00 WT3 H ATOM 47730 H2 TIP3 9261 69.636 70.865 -15.215 1.00 0.00 WT3 H ATOM 47731 OH2 TIP3 4 66.513 54.590 25.413 1.00 0.00 WT4 O ATOM 47732 H1 TIP3 4 66.128 55.373 25.807 1.00 0.00 WT4 H ATOM 47733 H2 TIP3 4 65.763 54.094 25.084 1.00 0.00 WT4 H ATOM 47734 OH2 TIP3 5 31.181 37.358 2.661 1.00 0.00 WT4 O ATOM 47735 H1 TIP3 5 30.781 36.621 2.200 1.00 0.00 WT4 H ATOM 47736 H2 TIP3 5 32.025 37.022 2.963 1.00 0.00 WT4 H ATOM 47737 OH2 TIP3 7 42.427 6.975 -14.474 1.00 0.00 WT4 O ATOM 47738 H1 TIP3 7 41.738 6.880 -13.817 1.00 0.00 WT4 H ATOM 47739 H2 TIP3 7 42.352 7.881 -14.772 1.00 0.00 WT4 H ATOM 47740 OH2 TIP3 11 23.130 88.706 22.479 1.00 0.00 WT4 O ATOM 47741 H1 TIP3 11 22.786 89.396 23.046 1.00 0.00 WT4 H ATOM 47742 H2 TIP3 11 23.047 89.059 21.593 1.00 0.00 WT4 H ATOM 47743 OH2 TIP3 21 83.988 60.306 41.786 1.00 0.00 WT4 O ATOM 47744 H1 TIP3 21 83.710 60.614 42.648 1.00 0.00 WT4 H ATOM 47745 H2 TIP3 21 83.326 60.647 41.184 1.00 0.00 WT4 H ATOM 47746 OH2 TIP3 22 78.562 31.782 -8.418 1.00 0.00 WT4 O ATOM 47747 H1 TIP3 22 78.925 31.152 -7.796 1.00 0.00 WT4 H ATOM 47748 H2 TIP3 22 77.862 32.221 -7.935 1.00 0.00 WT4 H ATOM 47749 OH2 TIP3 23 36.251 50.583 -2.863 1.00 0.00 WT4 O ATOM 47750 H1 TIP3 23 36.983 50.773 -2.277 1.00 0.00 WT4 H ATOM 47751 H2 TIP3 23 35.628 50.100 -2.321 1.00 0.00 WT4 H ATOM 47752 OH2 TIP3 24 69.260 59.418 20.495 1.00 0.00 WT4 O ATOM 47753 H1 TIP3 24 68.369 59.077 20.410 1.00 0.00 WT4 H ATOM 47754 H2 TIP3 24 69.151 60.267 20.924 1.00 0.00 WT4 H ATOM 47755 OH2 TIP3 25 61.578 53.965 39.644 1.00 0.00 WT4 O ATOM 47756 H1 TIP3 25 60.869 53.993 40.286 1.00 0.00 WT4 H ATOM 47757 H2 TIP3 25 61.192 54.322 38.844 1.00 0.00 WT4 H ATOM 47758 OH2 TIP3 27 52.538 46.753 -17.723 1.00 0.00 WT4 O ATOM 47759 H1 TIP3 27 52.343 47.522 -18.259 1.00 0.00 WT4 H ATOM 47760 H2 TIP3 27 53.307 47.006 -17.213 1.00 0.00 WT4 H ATOM 47761 OH2 TIP3 29 89.839 83.679 64.187 1.00 0.00 WT4 O ATOM 47762 H1 TIP3 29 89.412 83.342 63.399 1.00 0.00 WT4 H ATOM 47763 H2 TIP3 29 90.643 84.088 63.867 1.00 0.00 WT4 H ATOM 47764 OH2 TIP3 31 68.547 96.463 48.237 1.00 0.00 WT4 O ATOM 47765 H1 TIP3 31 68.438 95.950 49.039 1.00 0.00 WT4 H ATOM 47766 H2 TIP3 31 68.185 95.908 47.547 1.00 0.00 WT4 H ATOM 47767 OH2 TIP3 43 28.136 46.269 54.519 1.00 0.00 WT4 O ATOM 47768 H1 TIP3 43 28.011 47.205 54.677 1.00 0.00 WT4 H ATOM 47769 H2 TIP3 43 29.068 46.120 54.684 1.00 0.00 WT4 H ATOM 47770 OH2 TIP3 44 36.354 87.535 67.366 1.00 0.00 WT4 O ATOM 47771 H1 TIP3 44 36.070 86.627 67.472 1.00 0.00 WT4 H ATOM 47772 H2 TIP3 44 36.015 87.794 66.509 1.00 0.00 WT4 H ATOM 47773 OH2 TIP3 46 90.852 52.080 -10.781 1.00 0.00 WT4 O ATOM 47774 H1 TIP3 46 90.975 53.006 -10.572 1.00 0.00 WT4 H ATOM 47775 H2 TIP3 46 89.909 51.937 -10.698 1.00 0.00 WT4 H ATOM 47776 OH2 TIP3 47 53.676 67.954 57.013 1.00 0.00 WT4 O ATOM 47777 H1 TIP3 47 54.251 68.516 56.494 1.00 0.00 WT4 H ATOM 47778 H2 TIP3 47 53.666 67.120 56.543 1.00 0.00 WT4 H ATOM 47779 OH2 TIP3 48 62.870 24.845 49.442 1.00 0.00 WT4 O ATOM 47780 H1 TIP3 48 62.606 23.930 49.543 1.00 0.00 WT4 H ATOM 47781 H2 TIP3 48 62.776 25.019 48.505 1.00 0.00 WT4 H ATOM 47782 OH2 TIP3 50 34.012 69.761 3.951 1.00 0.00 WT4 O ATOM 47783 H1 TIP3 50 33.642 70.195 4.719 1.00 0.00 WT4 H ATOM 47784 H2 TIP3 50 34.040 68.834 4.188 1.00 0.00 WT4 H ATOM 47785 OH2 TIP3 64 42.013 82.963 -12.445 1.00 0.00 WT4 O ATOM 47786 H1 TIP3 64 42.402 83.812 -12.655 1.00 0.00 WT4 H ATOM 47787 H2 TIP3 64 42.674 82.520 -11.913 1.00 0.00 WT4 H ATOM 47788 OH2 TIP3 66 67.350 30.008 46.638 1.00 0.00 WT4 O ATOM 47789 H1 TIP3 66 66.738 29.275 46.568 1.00 0.00 WT4 H ATOM 47790 H2 TIP3 66 66.798 30.788 46.579 1.00 0.00 WT4 H ATOM 47791 OH2 TIP3 67 71.126 51.614 63.745 1.00 0.00 WT4 O ATOM 47792 H1 TIP3 67 70.717 50.998 64.352 1.00 0.00 WT4 H ATOM 47793 H2 TIP3 67 70.717 51.427 62.900 1.00 0.00 WT4 H ATOM 47794 OH2 TIP3 68 39.627 64.380 49.852 1.00 0.00 WT4 O ATOM 47795 H1 TIP3 68 40.112 64.011 49.114 1.00 0.00 WT4 H ATOM 47796 H2 TIP3 68 40.292 64.825 50.378 1.00 0.00 WT4 H ATOM 47797 OH2 TIP3 69 43.684 63.112 41.302 1.00 0.00 WT4 O ATOM 47798 H1 TIP3 69 43.332 63.914 41.688 1.00 0.00 WT4 H ATOM 47799 H2 TIP3 69 44.258 63.417 40.599 1.00 0.00 WT4 H ATOM 47800 OH2 TIP3 70 49.193 60.866 48.942 1.00 0.00 WT4 O ATOM 47801 H1 TIP3 70 48.717 61.236 48.198 1.00 0.00 WT4 H ATOM 47802 H2 TIP3 70 49.256 59.932 48.745 1.00 0.00 WT4 H ATOM 47803 OH2 TIP3 72 65.358 85.828 -16.719 1.00 0.00 WT4 O ATOM 47804 H1 TIP3 72 64.900 86.644 -16.919 1.00 0.00 WT4 H ATOM 47805 H2 TIP3 72 65.833 85.615 -17.522 1.00 0.00 WT4 H ATOM 47806 OH2 TIP3 83 86.569 89.741 56.584 1.00 0.00 WT4 O ATOM 47807 H1 TIP3 83 86.504 90.531 56.048 1.00 0.00 WT4 H ATOM 47808 H2 TIP3 83 85.823 89.205 56.314 1.00 0.00 WT4 H ATOM 47809 OH2 TIP3 86 41.903 46.613 57.953 1.00 0.00 WT4 O ATOM 47810 H1 TIP3 86 41.823 47.290 58.624 1.00 0.00 WT4 H ATOM 47811 H2 TIP3 86 41.229 46.831 57.309 1.00 0.00 WT4 H ATOM 47812 OH2 TIP3 87 23.490 46.655 40.433 1.00 0.00 WT4 O ATOM 47813 H1 TIP3 87 23.692 47.493 40.017 1.00 0.00 WT4 H ATOM 47814 H2 TIP3 87 24.291 46.421 40.902 1.00 0.00 WT4 H ATOM 47815 OH2 TIP3 88 80.913 78.636 41.806 1.00 0.00 WT4 O ATOM 47816 H1 TIP3 88 80.895 77.685 41.697 1.00 0.00 WT4 H ATOM 47817 H2 TIP3 88 80.584 78.979 40.975 1.00 0.00 WT4 H ATOM 47818 OH2 TIP3 90 89.166 84.471 14.572 1.00 0.00 WT4 O ATOM 47819 H1 TIP3 90 88.591 83.716 14.697 1.00 0.00 WT4 H ATOM 47820 H2 TIP3 90 89.926 84.289 15.125 1.00 0.00 WT4 H ATOM 47821 OH2 TIP3 91 36.170 55.749 -19.927 1.00 0.00 WT4 O ATOM 47822 H1 TIP3 91 35.654 55.442 -19.181 1.00 0.00 WT4 H ATOM 47823 H2 TIP3 91 36.765 55.025 -20.121 1.00 0.00 WT4 H ATOM 47824 OH2 TIP3 93 54.871 67.774 54.019 1.00 0.00 WT4 O ATOM 47825 H1 TIP3 93 54.615 68.223 53.213 1.00 0.00 WT4 H ATOM 47826 H2 TIP3 93 54.835 66.843 53.796 1.00 0.00 WT4 H ATOM 47827 OH2 TIP3 107 75.769 78.601 65.256 1.00 0.00 WT4 O ATOM 47828 H1 TIP3 107 74.813 78.648 65.244 1.00 0.00 WT4 H ATOM 47829 H2 TIP3 107 75.990 78.026 64.523 1.00 0.00 WT4 H ATOM 47830 OH2 TIP3 108 74.538 66.541 6.340 1.00 0.00 WT4 O ATOM 47831 H1 TIP3 108 74.417 67.116 7.095 1.00 0.00 WT4 H ATOM 47832 H2 TIP3 108 75.403 66.153 6.469 1.00 0.00 WT4 H ATOM 47833 OH2 TIP3 109 54.913 57.353 -10.098 1.00 0.00 WT4 O ATOM 47834 H1 TIP3 109 55.294 58.198 -10.336 1.00 0.00 WT4 H ATOM 47835 H2 TIP3 109 54.225 57.568 -9.468 1.00 0.00 WT4 H ATOM 47836 OH2 TIP3 110 43.563 92.978 65.449 1.00 0.00 WT4 O ATOM 47837 H1 TIP3 110 43.569 93.847 65.852 1.00 0.00 WT4 H ATOM 47838 H2 TIP3 110 44.130 92.449 66.012 1.00 0.00 WT4 H ATOM 47839 OH2 TIP3 111 41.214 47.608 30.474 1.00 0.00 WT4 O ATOM 47840 H1 TIP3 111 42.166 47.664 30.386 1.00 0.00 WT4 H ATOM 47841 H2 TIP3 111 40.903 48.492 30.283 1.00 0.00 WT4 H ATOM 47842 OH2 TIP3 112 20.409 9.755 44.040 1.00 0.00 WT4 O ATOM 47843 H1 TIP3 112 21.257 10.155 43.845 1.00 0.00 WT4 H ATOM 47844 H2 TIP3 112 20.558 8.815 43.939 1.00 0.00 WT4 H ATOM 47845 OH2 TIP3 113 84.819 78.047 -17.582 1.00 0.00 WT4 O ATOM 47846 H1 TIP3 113 85.562 77.800 -17.031 1.00 0.00 WT4 H ATOM 47847 H2 TIP3 113 84.700 78.983 -17.418 1.00 0.00 WT4 H ATOM 47848 OH2 TIP3 114 22.405 63.875 -13.959 1.00 0.00 WT4 O ATOM 47849 H1 TIP3 114 22.599 63.384 -14.757 1.00 0.00 WT4 H ATOM 47850 H2 TIP3 114 23.154 64.462 -13.850 1.00 0.00 WT4 H ATOM 47851 OH2 TIP3 129 60.596 27.510 27.564 1.00 0.00 WT4 O ATOM 47852 H1 TIP3 129 60.356 27.188 26.695 1.00 0.00 WT4 H ATOM 47853 H2 TIP3 129 59.975 28.217 27.738 1.00 0.00 WT4 H ATOM 47854 OH2 TIP3 130 37.099 24.799 44.272 1.00 0.00 WT4 O ATOM 47855 H1 TIP3 130 36.854 24.030 43.757 1.00 0.00 WT4 H ATOM 47856 H2 TIP3 130 36.794 24.602 45.158 1.00 0.00 WT4 H ATOM 47857 OH2 TIP3 132 66.257 70.425 -7.279 1.00 0.00 WT4 O ATOM 47858 H1 TIP3 132 65.485 70.231 -6.747 1.00 0.00 WT4 H ATOM 47859 H2 TIP3 132 66.222 69.788 -7.993 1.00 0.00 WT4 H ATOM 47860 OH2 TIP3 133 78.304 92.401 51.576 1.00 0.00 WT4 O ATOM 47861 H1 TIP3 133 78.784 92.423 50.748 1.00 0.00 WT4 H ATOM 47862 H2 TIP3 133 78.231 91.471 51.787 1.00 0.00 WT4 H ATOM 47863 OH2 TIP3 144 22.910 17.978 4.775 1.00 0.00 WT4 O ATOM 47864 H1 TIP3 144 23.734 18.135 4.313 1.00 0.00 WT4 H ATOM 47865 H2 TIP3 144 22.641 17.104 4.495 1.00 0.00 WT4 H ATOM 47866 OH2 TIP3 145 64.722 82.477 20.490 1.00 0.00 WT4 O ATOM 47867 H1 TIP3 145 64.641 82.299 19.553 1.00 0.00 WT4 H ATOM 47868 H2 TIP3 145 63.833 82.692 20.772 1.00 0.00 WT4 H ATOM 47869 OH2 TIP3 149 39.555 39.200 64.371 1.00 0.00 WT4 O ATOM 47870 H1 TIP3 149 39.515 39.673 63.540 1.00 0.00 WT4 H ATOM 47871 H2 TIP3 149 38.646 39.167 64.672 1.00 0.00 WT4 H ATOM 47872 OH2 TIP3 150 77.744 94.177 21.673 1.00 0.00 WT4 O ATOM 47873 H1 TIP3 150 78.412 94.617 21.148 1.00 0.00 WT4 H ATOM 47874 H2 TIP3 150 76.993 94.770 21.652 1.00 0.00 WT4 H ATOM 47875 OH2 TIP3 151 42.678 16.489 38.375 1.00 0.00 WT4 O ATOM 47876 H1 TIP3 151 42.355 17.226 37.857 1.00 0.00 WT4 H ATOM 47877 H2 TIP3 151 43.009 15.867 37.727 1.00 0.00 WT4 H ATOM 47878 OH2 TIP3 152 25.820 58.396 63.900 1.00 0.00 WT4 O ATOM 47879 H1 TIP3 152 25.328 59.125 64.277 1.00 0.00 WT4 H ATOM 47880 H2 TIP3 152 25.505 58.334 62.999 1.00 0.00 WT4 H ATOM 47881 OH2 TIP3 154 89.086 43.055 4.089 1.00 0.00 WT4 O ATOM 47882 H1 TIP3 154 88.828 42.552 3.316 1.00 0.00 WT4 H ATOM 47883 H2 TIP3 154 90.004 42.824 4.229 1.00 0.00 WT4 H ATOM 47884 OH2 TIP3 167 40.741 87.504 60.019 1.00 0.00 WT4 O ATOM 47885 H1 TIP3 167 39.829 87.705 59.811 1.00 0.00 WT4 H ATOM 47886 H2 TIP3 167 41.130 87.258 59.180 1.00 0.00 WT4 H ATOM 47887 OH2 TIP3 171 36.466 80.852 -13.038 1.00 0.00 WT4 O ATOM 47888 H1 TIP3 171 37.144 81.079 -12.401 1.00 0.00 WT4 H ATOM 47889 H2 TIP3 171 36.929 80.808 -13.875 1.00 0.00 WT4 H ATOM 47890 OH2 TIP3 192 76.445 34.504 63.577 1.00 0.00 WT4 O ATOM 47891 H1 TIP3 192 76.774 34.386 64.468 1.00 0.00 WT4 H ATOM 47892 H2 TIP3 192 75.886 35.279 63.629 1.00 0.00 WT4 H ATOM 47893 OH2 TIP3 193 61.323 35.190 -8.849 1.00 0.00 WT4 O ATOM 47894 H1 TIP3 193 61.433 34.287 -9.145 1.00 0.00 WT4 H ATOM 47895 H2 TIP3 193 62.214 35.500 -8.689 1.00 0.00 WT4 H ATOM 47896 OH2 TIP3 212 20.732 10.198 50.052 1.00 0.00 WT4 O ATOM 47897 H1 TIP3 212 21.303 9.803 49.392 1.00 0.00 WT4 H ATOM 47898 H2 TIP3 212 21.203 10.082 50.877 1.00 0.00 WT4 H ATOM 47899 OH2 TIP3 236 89.101 68.611 64.036 1.00 0.00 WT4 O ATOM 47900 H1 TIP3 236 88.630 69.416 64.254 1.00 0.00 WT4 H ATOM 47901 H2 TIP3 236 88.506 67.907 64.293 1.00 0.00 WT4 H ATOM 47902 OH2 TIP3 237 83.530 95.150 13.080 1.00 0.00 WT4 O ATOM 47903 H1 TIP3 237 82.935 94.720 12.466 1.00 0.00 WT4 H ATOM 47904 H2 TIP3 237 83.263 96.070 13.069 1.00 0.00 WT4 H ATOM 47905 OH2 TIP3 239 45.652 34.531 51.840 1.00 0.00 WT4 O ATOM 47906 H1 TIP3 239 45.494 34.564 52.783 1.00 0.00 WT4 H ATOM 47907 H2 TIP3 239 46.401 35.111 51.702 1.00 0.00 WT4 H ATOM 47908 OH2 TIP3 256 70.857 63.004 34.359 1.00 0.00 WT4 O ATOM 47909 H1 TIP3 256 71.719 63.192 33.987 1.00 0.00 WT4 H ATOM 47910 H2 TIP3 256 70.556 62.227 33.888 1.00 0.00 WT4 H ATOM 47911 OH2 TIP3 407 88.335 46.290 57.869 1.00 0.00 WT4 O ATOM 47912 H1 TIP3 407 87.452 46.069 58.164 1.00 0.00 WT4 H ATOM 47913 H2 TIP3 407 88.453 45.784 57.066 1.00 0.00 WT4 H ATOM 47914 OH2 TIP3 430 82.431 71.501 -2.064 1.00 0.00 WT4 O ATOM 47915 H1 TIP3 430 81.836 71.054 -2.666 1.00 0.00 WT4 H ATOM 47916 H2 TIP3 430 83.063 70.829 -1.807 1.00 0.00 WT4 H ATOM 47917 OH2 TIP3 443 76.326 67.358 -3.375 1.00 0.00 WT4 O ATOM 47918 H1 TIP3 443 76.303 67.214 -4.321 1.00 0.00 WT4 H ATOM 47919 H2 TIP3 443 76.971 66.729 -3.052 1.00 0.00 WT4 H ATOM 47920 OH2 TIP3 444 61.008 82.737 12.507 1.00 0.00 WT4 O ATOM 47921 H1 TIP3 444 61.329 82.684 13.407 1.00 0.00 WT4 H ATOM 47922 H2 TIP3 444 61.074 81.842 12.175 1.00 0.00 WT4 H ATOM 47923 OH2 TIP3 447 55.769 79.469 62.744 1.00 0.00 WT4 O ATOM 47924 H1 TIP3 447 56.185 79.307 61.898 1.00 0.00 WT4 H ATOM 47925 H2 TIP3 447 56.310 78.994 63.373 1.00 0.00 WT4 H ATOM 47926 OH2 TIP3 449 25.035 73.813 66.497 1.00 0.00 WT4 O ATOM 47927 H1 TIP3 449 24.231 73.294 66.486 1.00 0.00 WT4 H ATOM 47928 H2 TIP3 449 25.489 73.570 65.690 1.00 0.00 WT4 H ATOM 47929 OH2 TIP3 450 44.673 27.778 4.678 1.00 0.00 WT4 O ATOM 47930 H1 TIP3 450 44.220 28.574 4.399 1.00 0.00 WT4 H ATOM 47931 H2 TIP3 450 44.267 27.552 5.515 1.00 0.00 WT4 H ATOM 47932 OH2 TIP3 465 26.236 61.180 12.028 1.00 0.00 WT4 O ATOM 47933 H1 TIP3 465 26.086 61.124 12.972 1.00 0.00 WT4 H ATOM 47934 H2 TIP3 465 25.394 61.460 11.668 1.00 0.00 WT4 H ATOM 47935 OH2 TIP3 466 86.869 50.373 59.754 1.00 0.00 WT4 O ATOM 47936 H1 TIP3 466 87.484 50.994 60.143 1.00 0.00 WT4 H ATOM 47937 H2 TIP3 466 86.560 50.808 58.959 1.00 0.00 WT4 H ATOM 47938 OH2 TIP3 467 22.421 83.319 45.640 1.00 0.00 WT4 O ATOM 47939 H1 TIP3 467 23.219 83.614 45.200 1.00 0.00 WT4 H ATOM 47940 H2 TIP3 467 21.790 83.192 44.931 1.00 0.00 WT4 H ATOM 47941 OH2 TIP3 469 62.940 45.586 58.583 1.00 0.00 WT4 O ATOM 47942 H1 TIP3 469 62.236 46.156 58.893 1.00 0.00 WT4 H ATOM 47943 H2 TIP3 469 62.572 44.703 58.632 1.00 0.00 WT4 H ATOM 47944 OH2 TIP3 478 33.953 75.650 12.204 1.00 0.00 WT4 O ATOM 47945 H1 TIP3 478 33.649 74.755 12.050 1.00 0.00 WT4 H ATOM 47946 H2 TIP3 478 33.172 76.191 12.092 1.00 0.00 WT4 H ATOM 47947 OH2 TIP3 484 31.995 75.704 19.186 1.00 0.00 WT4 O ATOM 47948 H1 TIP3 484 32.234 76.334 18.507 1.00 0.00 WT4 H ATOM 47949 H2 TIP3 484 31.983 74.859 18.736 1.00 0.00 WT4 H ATOM 47950 OH2 TIP3 485 28.621 67.456 59.073 1.00 0.00 WT4 O ATOM 47951 H1 TIP3 485 29.236 67.982 58.562 1.00 0.00 WT4 H ATOM 47952 H2 TIP3 485 27.872 68.035 59.218 1.00 0.00 WT4 H ATOM 47953 OH2 TIP3 486 85.703 43.359 19.409 1.00 0.00 WT4 O ATOM 47954 H1 TIP3 486 86.542 43.139 19.004 1.00 0.00 WT4 H ATOM 47955 H2 TIP3 486 85.311 42.513 19.626 1.00 0.00 WT4 H ATOM 47956 OH2 TIP3 488 83.593 50.871 58.686 1.00 0.00 WT4 O ATOM 47957 H1 TIP3 488 83.710 51.072 59.614 1.00 0.00 WT4 H ATOM 47958 H2 TIP3 488 83.281 51.690 58.301 1.00 0.00 WT4 H ATOM 47959 OH2 TIP3 489 29.268 14.915 -11.850 1.00 0.00 WT4 O ATOM 47960 H1 TIP3 489 29.282 15.755 -11.391 1.00 0.00 WT4 H ATOM 47961 H2 TIP3 489 28.485 14.474 -11.519 1.00 0.00 WT4 H ATOM 47962 OH2 TIP3 492 47.391 22.160 55.111 1.00 0.00 WT4 O ATOM 47963 H1 TIP3 492 47.618 21.232 55.042 1.00 0.00 WT4 H ATOM 47964 H2 TIP3 492 48.232 22.606 55.212 1.00 0.00 WT4 H ATOM 47965 OH2 TIP3 503 22.508 61.880 41.379 1.00 0.00 WT4 O ATOM 47966 H1 TIP3 503 21.877 62.535 41.679 1.00 0.00 WT4 H ATOM 47967 H2 TIP3 503 23.356 62.322 41.435 1.00 0.00 WT4 H ATOM 47968 OH2 TIP3 506 69.178 95.337 62.951 1.00 0.00 WT4 O ATOM 47969 H1 TIP3 506 68.388 94.805 62.864 1.00 0.00 WT4 H ATOM 47970 H2 TIP3 506 69.757 94.818 63.511 1.00 0.00 WT4 H ATOM 47971 OH2 TIP3 507 23.051 73.739 -4.119 1.00 0.00 WT4 O ATOM 47972 H1 TIP3 507 23.072 73.452 -5.031 1.00 0.00 WT4 H ATOM 47973 H2 TIP3 507 23.946 74.022 -3.935 1.00 0.00 WT4 H ATOM 47974 OH2 TIP3 508 45.473 95.851 31.478 1.00 0.00 WT4 O ATOM 47975 H1 TIP3 508 45.837 96.115 30.633 1.00 0.00 WT4 H ATOM 47976 H2 TIP3 508 46.224 95.848 32.072 1.00 0.00 WT4 H ATOM 47977 OH2 TIP3 509 32.266 83.726 -8.724 1.00 0.00 WT4 O ATOM 47978 H1 TIP3 509 32.228 83.704 -7.768 1.00 0.00 WT4 H ATOM 47979 H2 TIP3 509 32.105 84.642 -8.949 1.00 0.00 WT4 H ATOM 47980 OH2 TIP3 511 86.352 75.947 15.626 1.00 0.00 WT4 O ATOM 47981 H1 TIP3 511 85.541 75.971 16.133 1.00 0.00 WT4 H ATOM 47982 H2 TIP3 511 86.164 76.471 14.847 1.00 0.00 WT4 H ATOM 47983 OH2 TIP3 512 69.945 61.689 51.431 1.00 0.00 WT4 O ATOM 47984 H1 TIP3 512 70.315 61.190 50.703 1.00 0.00 WT4 H ATOM 47985 H2 TIP3 512 68.998 61.617 51.314 1.00 0.00 WT4 H ATOM 47986 OH2 TIP3 513 37.466 7.365 58.041 1.00 0.00 WT4 O ATOM 47987 H1 TIP3 513 37.818 6.800 58.729 1.00 0.00 WT4 H ATOM 47988 H2 TIP3 513 36.679 7.750 58.426 1.00 0.00 WT4 H ATOM 47989 OH2 TIP3 517 67.848 74.567 -11.747 1.00 0.00 WT4 O ATOM 47990 H1 TIP3 517 68.146 73.828 -12.277 1.00 0.00 WT4 H ATOM 47991 H2 TIP3 517 66.991 74.297 -11.417 1.00 0.00 WT4 H ATOM 47992 OH2 TIP3 528 51.374 65.845 -18.830 1.00 0.00 WT4 O ATOM 47993 H1 TIP3 528 52.303 66.059 -18.913 1.00 0.00 WT4 H ATOM 47994 H2 TIP3 528 51.185 65.952 -17.898 1.00 0.00 WT4 H ATOM 47995 OH2 TIP3 529 20.695 72.240 -3.616 1.00 0.00 WT4 O ATOM 47996 H1 TIP3 529 21.230 71.447 -3.648 1.00 0.00 WT4 H ATOM 47997 H2 TIP3 529 21.329 72.957 -3.601 1.00 0.00 WT4 H ATOM 47998 OH2 TIP3 530 45.788 90.682 -0.848 1.00 0.00 WT4 O ATOM 47999 H1 TIP3 530 45.477 90.415 0.017 1.00 0.00 WT4 H ATOM 48000 H2 TIP3 530 46.659 91.046 -0.688 1.00 0.00 WT4 H ATOM 48001 OH2 TIP3 532 29.321 1.786 50.596 1.00 0.00 WT4 O ATOM 48002 H1 TIP3 532 29.943 1.925 51.310 1.00 0.00 WT4 H ATOM 48003 H2 TIP3 532 29.838 1.908 49.800 1.00 0.00 WT4 H ATOM 48004 OH2 TIP3 533 47.425 63.962 -4.205 1.00 0.00 WT4 O ATOM 48005 H1 TIP3 533 47.114 64.061 -3.305 1.00 0.00 WT4 H ATOM 48006 H2 TIP3 533 47.297 64.825 -4.599 1.00 0.00 WT4 H ATOM 48007 OH2 TIP3 535 34.683 81.542 38.526 1.00 0.00 WT4 O ATOM 48008 H1 TIP3 535 35.268 81.761 39.252 1.00 0.00 WT4 H ATOM 48009 H2 TIP3 535 34.185 80.787 38.839 1.00 0.00 WT4 H ATOM 48010 OH2 TIP3 543 31.207 42.764 -3.406 1.00 0.00 WT4 O ATOM 48011 H1 TIP3 543 31.808 43.065 -2.725 1.00 0.00 WT4 H ATOM 48012 H2 TIP3 543 31.554 41.912 -3.673 1.00 0.00 WT4 H ATOM 48013 OH2 TIP3 547 41.672 82.027 5.116 1.00 0.00 WT4 O ATOM 48014 H1 TIP3 547 41.019 82.693 4.903 1.00 0.00 WT4 H ATOM 48015 H2 TIP3 547 42.410 82.220 4.538 1.00 0.00 WT4 H ATOM 48016 OH2 TIP3 549 84.227 80.328 57.034 1.00 0.00 WT4 O ATOM 48017 H1 TIP3 549 84.511 81.078 57.555 1.00 0.00 WT4 H ATOM 48018 H2 TIP3 549 84.613 79.570 57.473 1.00 0.00 WT4 H ATOM 48019 OH2 TIP3 550 70.151 18.292 60.984 1.00 0.00 WT4 O ATOM 48020 H1 TIP3 550 69.837 17.395 60.873 1.00 0.00 WT4 H ATOM 48021 H2 TIP3 550 70.790 18.410 60.281 1.00 0.00 WT4 H ATOM 48022 OH2 TIP3 551 87.120 12.062 66.321 1.00 0.00 WT4 O ATOM 48023 H1 TIP3 551 87.083 11.484 65.559 1.00 0.00 WT4 H ATOM 48024 H2 TIP3 551 86.221 12.372 66.432 1.00 0.00 WT4 H ATOM 48025 OH2 TIP3 554 44.161 75.390 11.789 1.00 0.00 WT4 O ATOM 48026 H1 TIP3 554 44.483 74.595 12.215 1.00 0.00 WT4 H ATOM 48027 H2 TIP3 554 44.158 75.177 10.855 1.00 0.00 WT4 H ATOM 48028 OH2 TIP3 558 37.318 14.913 17.140 1.00 0.00 WT4 O ATOM 48029 H1 TIP3 558 36.760 15.129 16.393 1.00 0.00 WT4 H ATOM 48030 H2 TIP3 558 38.110 15.435 17.006 1.00 0.00 WT4 H ATOM 48031 OH2 TIP3 562 69.777 22.985 42.930 1.00 0.00 WT4 O ATOM 48032 H1 TIP3 562 69.633 22.793 43.857 1.00 0.00 WT4 H ATOM 48033 H2 TIP3 562 70.158 22.182 42.575 1.00 0.00 WT4 H ATOM 48034 OH2 TIP3 568 66.078 59.745 -1.011 1.00 0.00 WT4 O ATOM 48035 H1 TIP3 568 66.140 59.402 -0.119 1.00 0.00 WT4 H ATOM 48036 H2 TIP3 568 65.138 59.845 -1.165 1.00 0.00 WT4 H ATOM 48037 OH2 TIP3 572 76.302 71.218 -13.937 1.00 0.00 WT4 O ATOM 48038 H1 TIP3 572 75.681 70.513 -13.754 1.00 0.00 WT4 H ATOM 48039 H2 TIP3 572 77.122 70.769 -14.141 1.00 0.00 WT4 H ATOM 48040 OH2 TIP3 573 23.352 4.344 53.567 1.00 0.00 WT4 O ATOM 48041 H1 TIP3 573 24.239 4.669 53.725 1.00 0.00 WT4 H ATOM 48042 H2 TIP3 573 22.878 5.100 53.221 1.00 0.00 WT4 H ATOM 48043 OH2 TIP3 574 73.277 81.641 44.291 1.00 0.00 WT4 O ATOM 48044 H1 TIP3 574 74.155 81.865 44.600 1.00 0.00 WT4 H ATOM 48045 H2 TIP3 574 72.692 82.196 44.806 1.00 0.00 WT4 H ATOM 48046 OH2 TIP3 575 24.329 48.730 49.910 1.00 0.00 WT4 O ATOM 48047 H1 TIP3 575 23.433 48.593 50.219 1.00 0.00 WT4 H ATOM 48048 H2 TIP3 575 24.461 49.676 49.972 1.00 0.00 WT4 H ATOM 48049 OH2 TIP3 584 78.922 85.439 -14.693 1.00 0.00 WT4 O ATOM 48050 H1 TIP3 584 79.060 84.653 -14.165 1.00 0.00 WT4 H ATOM 48051 H2 TIP3 584 79.494 86.097 -14.297 1.00 0.00 WT4 H ATOM 48052 OH2 TIP3 591 27.028 48.534 51.344 1.00 0.00 WT4 O ATOM 48053 H1 TIP3 591 27.599 47.766 51.356 1.00 0.00 WT4 H ATOM 48054 H2 TIP3 591 26.273 48.264 50.821 1.00 0.00 WT4 H ATOM 48055 OH2 TIP3 592 81.762 38.992 16.719 1.00 0.00 WT4 O ATOM 48056 H1 TIP3 592 80.890 38.635 16.552 1.00 0.00 WT4 H ATOM 48057 H2 TIP3 592 81.609 39.916 16.918 1.00 0.00 WT4 H ATOM 48058 OH2 TIP3 593 61.107 77.005 51.818 1.00 0.00 WT4 O ATOM 48059 H1 TIP3 593 61.279 77.833 51.371 1.00 0.00 WT4 H ATOM 48060 H2 TIP3 593 60.428 76.584 51.292 1.00 0.00 WT4 H ATOM 48061 OH2 TIP3 594 49.173 65.789 8.324 1.00 0.00 WT4 O ATOM 48062 H1 TIP3 594 48.590 65.722 9.080 1.00 0.00 WT4 H ATOM 48063 H2 TIP3 594 50.022 65.490 8.647 1.00 0.00 WT4 H ATOM 48064 OH2 TIP3 595 84.508 13.708 66.388 1.00 0.00 WT4 O ATOM 48065 H1 TIP3 595 85.012 13.730 67.201 1.00 0.00 WT4 H ATOM 48066 H2 TIP3 595 83.639 13.407 66.652 1.00 0.00 WT4 H ATOM 48067 OH2 TIP3 612 71.547 5.270 42.020 1.00 0.00 WT4 O ATOM 48068 H1 TIP3 612 70.595 5.253 42.123 1.00 0.00 WT4 H ATOM 48069 H2 TIP3 612 71.886 5.177 42.910 1.00 0.00 WT4 H ATOM 48070 OH2 TIP3 613 57.627 82.906 48.876 1.00 0.00 WT4 O ATOM 48071 H1 TIP3 613 56.758 83.014 48.490 1.00 0.00 WT4 H ATOM 48072 H2 TIP3 613 58.165 83.569 48.443 1.00 0.00 WT4 H ATOM 48073 OH2 TIP3 617 82.565 94.256 44.654 1.00 0.00 WT4 O ATOM 48074 H1 TIP3 617 82.594 94.756 43.839 1.00 0.00 WT4 H ATOM 48075 H2 TIP3 617 82.090 94.819 45.265 1.00 0.00 WT4 H ATOM 48076 OH2 TIP3 632 58.896 50.516 2.653 1.00 0.00 WT4 O ATOM 48077 H1 TIP3 632 59.468 50.230 3.366 1.00 0.00 WT4 H ATOM 48078 H2 TIP3 632 58.490 51.319 2.978 1.00 0.00 WT4 H ATOM 48079 OH2 TIP3 634 38.871 82.632 62.150 1.00 0.00 WT4 O ATOM 48080 H1 TIP3 634 38.042 82.280 61.828 1.00 0.00 WT4 H ATOM 48081 H2 TIP3 634 39.541 82.091 61.730 1.00 0.00 WT4 H ATOM 48082 OH2 TIP3 635 79.332 42.227 25.153 1.00 0.00 WT4 O ATOM 48083 H1 TIP3 635 79.065 41.444 24.671 1.00 0.00 WT4 H ATOM 48084 H2 TIP3 635 80.287 42.227 25.100 1.00 0.00 WT4 H ATOM 48085 OH2 TIP3 638 34.561 39.741 25.563 1.00 0.00 WT4 O ATOM 48086 H1 TIP3 638 34.924 39.292 24.799 1.00 0.00 WT4 H ATOM 48087 H2 TIP3 638 35.322 40.116 26.006 1.00 0.00 WT4 H ATOM 48088 OH2 TIP3 640 44.195 13.482 54.746 1.00 0.00 WT4 O ATOM 48089 H1 TIP3 640 43.867 14.358 54.950 1.00 0.00 WT4 H ATOM 48090 H2 TIP3 640 45.120 13.510 54.991 1.00 0.00 WT4 H ATOM 48091 OH2 TIP3 656 70.034 89.537 34.404 1.00 0.00 WT4 O ATOM 48092 H1 TIP3 656 69.280 88.986 34.616 1.00 0.00 WT4 H ATOM 48093 H2 TIP3 656 70.362 89.187 33.576 1.00 0.00 WT4 H ATOM 48094 OH2 TIP3 659 87.530 67.383 4.539 1.00 0.00 WT4 O ATOM 48095 H1 TIP3 659 87.846 67.619 5.411 1.00 0.00 WT4 H ATOM 48096 H2 TIP3 659 86.599 67.200 4.662 1.00 0.00 WT4 H ATOM 48097 OH2 TIP3 660 31.405 18.616 -9.685 1.00 0.00 WT4 O ATOM 48098 H1 TIP3 660 31.124 19.418 -9.245 1.00 0.00 WT4 H ATOM 48099 H2 TIP3 660 30.613 18.080 -9.734 1.00 0.00 WT4 H ATOM 48100 OH2 TIP3 682 30.656 54.184 -6.287 1.00 0.00 WT4 O ATOM 48101 H1 TIP3 682 29.889 54.080 -5.725 1.00 0.00 WT4 H ATOM 48102 H2 TIP3 682 31.206 54.818 -5.827 1.00 0.00 WT4 H ATOM 48103 OH2 TIP3 695 87.160 81.020 27.007 1.00 0.00 WT4 O ATOM 48104 H1 TIP3 695 86.823 80.306 26.465 1.00 0.00 WT4 H ATOM 48105 H2 TIP3 695 87.888 81.382 26.502 1.00 0.00 WT4 H ATOM 48106 OH2 TIP3 697 65.086 49.779 9.806 1.00 0.00 WT4 O ATOM 48107 H1 TIP3 697 65.432 48.913 10.024 1.00 0.00 WT4 H ATOM 48108 H2 TIP3 697 64.176 49.755 10.100 1.00 0.00 WT4 H ATOM 48109 OH2 TIP3 758 89.568 59.702 1.182 1.00 0.00 WT4 O ATOM 48110 H1 TIP3 758 89.795 58.814 1.457 1.00 0.00 WT4 H ATOM 48111 H2 TIP3 758 90.206 60.261 1.625 1.00 0.00 WT4 H ATOM 48112 OH2 TIP3 805 63.721 16.718 63.573 1.00 0.00 WT4 O ATOM 48113 H1 TIP3 805 63.146 16.968 64.297 1.00 0.00 WT4 H ATOM 48114 H2 TIP3 805 64.575 17.079 63.810 1.00 0.00 WT4 H ATOM 48115 OH2 TIP3 822 82.298 44.325 38.994 1.00 0.00 WT4 O ATOM 48116 H1 TIP3 822 81.453 44.743 39.162 1.00 0.00 WT4 H ATOM 48117 H2 TIP3 822 82.156 43.403 39.209 1.00 0.00 WT4 H ATOM 48118 OH2 TIP3 848 41.614 55.404 1.311 1.00 0.00 WT4 O ATOM 48119 H1 TIP3 848 42.413 54.988 1.636 1.00 0.00 WT4 H ATOM 48120 H2 TIP3 848 41.354 56.004 2.010 1.00 0.00 WT4 H ATOM 48121 OH2 TIP3 849 34.683 44.542 8.034 1.00 0.00 WT4 O ATOM 48122 H1 TIP3 849 35.439 45.022 7.696 1.00 0.00 WT4 H ATOM 48123 H2 TIP3 849 34.358 45.083 8.754 1.00 0.00 WT4 H ATOM 48124 OH2 TIP3 866 44.281 54.698 56.845 1.00 0.00 WT4 O ATOM 48125 H1 TIP3 866 45.217 54.498 56.843 1.00 0.00 WT4 H ATOM 48126 H2 TIP3 866 44.032 54.672 57.768 1.00 0.00 WT4 H ATOM 48127 OH2 TIP3 867 23.377 62.591 3.616 1.00 0.00 WT4 O ATOM 48128 H1 TIP3 867 24.195 62.948 3.963 1.00 0.00 WT4 H ATOM 48129 H2 TIP3 867 23.253 63.045 2.782 1.00 0.00 WT4 H ATOM 48130 OH2 TIP3 887 56.452 22.460 42.612 1.00 0.00 WT4 O ATOM 48131 H1 TIP3 887 55.936 23.261 42.531 1.00 0.00 WT4 H ATOM 48132 H2 TIP3 887 57.340 22.720 42.368 1.00 0.00 WT4 H ATOM 48133 OH2 TIP3 888 58.894 27.309 2.160 1.00 0.00 WT4 O ATOM 48134 H1 TIP3 888 58.019 26.926 2.099 1.00 0.00 WT4 H ATOM 48135 H2 TIP3 888 58.961 27.878 1.393 1.00 0.00 WT4 H ATOM 48136 OH2 TIP3 891 38.475 42.164 42.134 1.00 0.00 WT4 O ATOM 48137 H1 TIP3 891 37.651 41.969 41.689 1.00 0.00 WT4 H ATOM 48138 H2 TIP3 891 38.238 42.799 42.811 1.00 0.00 WT4 H ATOM 48139 OH2 TIP3 906 21.915 23.092 -12.086 1.00 0.00 WT4 O ATOM 48140 H1 TIP3 906 22.517 22.933 -12.813 1.00 0.00 WT4 H ATOM 48141 H2 TIP3 906 22.403 22.827 -11.307 1.00 0.00 WT4 H ATOM 48142 OH2 TIP3 908 89.342 50.275 39.670 1.00 0.00 WT4 O ATOM 48143 H1 TIP3 908 89.362 49.327 39.805 1.00 0.00 WT4 H ATOM 48144 H2 TIP3 908 89.520 50.644 40.535 1.00 0.00 WT4 H ATOM 48145 OH2 TIP3 912 58.011 51.650 55.355 1.00 0.00 WT4 O ATOM 48146 H1 TIP3 912 57.439 50.912 55.145 1.00 0.00 WT4 H ATOM 48147 H2 TIP3 912 57.570 52.411 54.976 1.00 0.00 WT4 H ATOM 48148 OH2 TIP3 924 45.772 42.113 -0.502 1.00 0.00 WT4 O ATOM 48149 H1 TIP3 924 45.498 42.043 0.412 1.00 0.00 WT4 H ATOM 48150 H2 TIP3 924 46.443 42.795 -0.501 1.00 0.00 WT4 H ATOM 48151 OH2 TIP3 927 67.619 37.157 39.185 1.00 0.00 WT4 O ATOM 48152 H1 TIP3 927 68.494 36.793 39.324 1.00 0.00 WT4 H ATOM 48153 H2 TIP3 927 67.770 38.086 39.012 1.00 0.00 WT4 H ATOM 48154 OH2 TIP3 928 52.644 40.889 -6.231 1.00 0.00 WT4 O ATOM 48155 H1 TIP3 928 53.582 40.707 -6.291 1.00 0.00 WT4 H ATOM 48156 H2 TIP3 928 52.429 40.737 -5.311 1.00 0.00 WT4 H ATOM 48157 OH2 TIP3 929 38.615 31.714 24.419 1.00 0.00 WT4 O ATOM 48158 H1 TIP3 929 39.081 31.239 23.732 1.00 0.00 WT4 H ATOM 48159 H2 TIP3 929 38.008 32.284 23.947 1.00 0.00 WT4 H ATOM 48160 OH2 TIP3 930 49.222 13.792 21.915 1.00 0.00 WT4 O ATOM 48161 H1 TIP3 930 48.857 14.469 21.344 1.00 0.00 WT4 H ATOM 48162 H2 TIP3 930 48.857 13.984 22.779 1.00 0.00 WT4 H ATOM 48163 OH2 TIP3 932 83.478 77.668 47.218 1.00 0.00 WT4 O ATOM 48164 H1 TIP3 932 83.506 78.498 46.742 1.00 0.00 WT4 H ATOM 48165 H2 TIP3 932 83.194 77.907 48.100 1.00 0.00 WT4 H ATOM 48166 OH2 TIP3 942 52.078 46.296 61.322 1.00 0.00 WT4 O ATOM 48167 H1 TIP3 942 51.729 46.263 60.431 1.00 0.00 WT4 H ATOM 48168 H2 TIP3 942 51.915 47.194 61.610 1.00 0.00 WT4 H ATOM 48169 OH2 TIP3 947 50.813 74.929 -15.701 1.00 0.00 WT4 O ATOM 48170 H1 TIP3 947 50.208 74.210 -15.886 1.00 0.00 WT4 H ATOM 48171 H2 TIP3 947 51.241 74.677 -14.883 1.00 0.00 WT4 H ATOM 48172 OH2 TIP3 948 26.287 73.766 54.225 1.00 0.00 WT4 O ATOM 48173 H1 TIP3 948 25.761 73.922 53.441 1.00 0.00 WT4 H ATOM 48174 H2 TIP3 948 27.170 73.605 53.894 1.00 0.00 WT4 H ATOM 48175 OH2 TIP3 950 74.967 71.626 61.710 1.00 0.00 WT4 O ATOM 48176 H1 TIP3 950 75.170 71.957 62.585 1.00 0.00 WT4 H ATOM 48177 H2 TIP3 950 75.557 70.882 61.592 1.00 0.00 WT4 H ATOM 48178 OH2 TIP3 951 66.247 76.212 32.055 1.00 0.00 WT4 O ATOM 48179 H1 TIP3 951 66.967 75.662 32.363 1.00 0.00 WT4 H ATOM 48180 H2 TIP3 951 65.615 75.595 31.685 1.00 0.00 WT4 H ATOM 48181 OH2 TIP3 952 45.352 75.269 25.222 1.00 0.00 WT4 O ATOM 48182 H1 TIP3 952 44.948 74.517 24.788 1.00 0.00 WT4 H ATOM 48183 H2 TIP3 952 46.245 74.985 25.413 1.00 0.00 WT4 H ATOM 48184 OH2 TIP3 953 51.975 54.427 61.844 1.00 0.00 WT4 O ATOM 48185 H1 TIP3 953 51.139 54.017 62.066 1.00 0.00 WT4 H ATOM 48186 H2 TIP3 953 52.636 53.798 62.135 1.00 0.00 WT4 H ATOM 48187 OH2 TIP3 956 69.130 7.490 64.520 1.00 0.00 WT4 O ATOM 48188 H1 TIP3 956 68.767 6.722 64.960 1.00 0.00 WT4 H ATOM 48189 H2 TIP3 956 68.548 7.638 63.775 1.00 0.00 WT4 H ATOM 48190 OH2 TIP3 964 25.343 17.584 9.874 1.00 0.00 WT4 O ATOM 48191 H1 TIP3 964 25.137 16.682 9.626 1.00 0.00 WT4 H ATOM 48192 H2 TIP3 964 26.198 17.752 9.478 1.00 0.00 WT4 H ATOM 48193 OH2 TIP3 970 36.313 76.094 0.516 1.00 0.00 WT4 O ATOM 48194 H1 TIP3 970 36.668 76.662 1.199 1.00 0.00 WT4 H ATOM 48195 H2 TIP3 970 36.727 76.401 -0.291 1.00 0.00 WT4 H ATOM 48196 OH2 TIP3 972 27.422 71.934 -19.107 1.00 0.00 WT4 O ATOM 48197 H1 TIP3 972 26.591 71.534 -18.852 1.00 0.00 WT4 H ATOM 48198 H2 TIP3 972 28.077 71.257 -18.934 1.00 0.00 WT4 H ATOM 48199 OH2 TIP3 974 35.906 39.220 37.819 1.00 0.00 WT4 O ATOM 48200 H1 TIP3 974 36.461 39.952 38.090 1.00 0.00 WT4 H ATOM 48201 H2 TIP3 974 35.016 39.502 38.034 1.00 0.00 WT4 H ATOM 48202 OH2 TIP3 985 30.205 95.353 25.912 1.00 0.00 WT4 O ATOM 48203 H1 TIP3 985 29.822 94.554 26.273 1.00 0.00 WT4 H ATOM 48204 H2 TIP3 985 30.839 95.044 25.264 1.00 0.00 WT4 H ATOM 48205 OH2 TIP3 987 26.061 62.767 52.437 1.00 0.00 WT4 O ATOM 48206 H1 TIP3 987 25.833 63.681 52.605 1.00 0.00 WT4 H ATOM 48207 H2 TIP3 987 26.804 62.595 53.017 1.00 0.00 WT4 H ATOM 48208 OH2 TIP3 988 55.440 85.429 3.116 1.00 0.00 WT4 O ATOM 48209 H1 TIP3 988 55.222 85.220 4.025 1.00 0.00 WT4 H ATOM 48210 H2 TIP3 988 54.973 86.245 2.938 1.00 0.00 WT4 H ATOM 48211 OH2 TIP3 992 85.102 66.991 24.393 1.00 0.00 WT4 O ATOM 48212 H1 TIP3 992 85.556 66.396 24.990 1.00 0.00 WT4 H ATOM 48213 H2 TIP3 992 84.177 66.763 24.484 1.00 0.00 WT4 H ATOM 48214 OH2 TIP3 993 86.249 54.623 -17.558 1.00 0.00 WT4 O ATOM 48215 H1 TIP3 993 85.952 54.373 -16.683 1.00 0.00 WT4 H ATOM 48216 H2 TIP3 993 86.399 53.792 -18.008 1.00 0.00 WT4 H ATOM 48217 OH2 TIP3 995 87.538 63.929 -1.230 1.00 0.00 WT4 O ATOM 48218 H1 TIP3 995 87.454 64.510 -0.473 1.00 0.00 WT4 H ATOM 48219 H2 TIP3 995 87.904 63.120 -0.873 1.00 0.00 WT4 H ATOM 48220 OH2 TIP3 1007 40.218 87.888 24.831 1.00 0.00 WT4 O ATOM 48221 H1 TIP3 1007 39.947 87.315 24.114 1.00 0.00 WT4 H ATOM 48222 H2 TIP3 1007 41.139 87.670 24.977 1.00 0.00 WT4 H ATOM 48223 OH2 TIP3 1010 87.796 5.688 5.046 1.00 0.00 WT4 O ATOM 48224 H1 TIP3 1010 88.155 6.235 4.348 1.00 0.00 WT4 H ATOM 48225 H2 TIP3 1010 88.435 4.983 5.151 1.00 0.00 WT4 H ATOM 48226 OH2 TIP3 1011 63.656 21.824 42.470 1.00 0.00 WT4 O ATOM 48227 H1 TIP3 1011 63.002 21.560 43.118 1.00 0.00 WT4 H ATOM 48228 H2 TIP3 1011 63.654 21.117 41.825 1.00 0.00 WT4 H ATOM 48229 OH2 TIP3 1013 51.410 7.014 -14.271 1.00 0.00 WT4 O ATOM 48230 H1 TIP3 1013 50.857 7.410 -13.598 1.00 0.00 WT4 H ATOM 48231 H2 TIP3 1013 51.896 6.329 -13.810 1.00 0.00 WT4 H ATOM 48232 OH2 TIP3 1014 38.356 52.097 -1.955 1.00 0.00 WT4 O ATOM 48233 H1 TIP3 1014 38.771 51.906 -2.796 1.00 0.00 WT4 H ATOM 48234 H2 TIP3 1014 39.003 52.618 -1.480 1.00 0.00 WT4 H ATOM 48235 OH2 TIP3 1017 86.319 31.435 46.169 1.00 0.00 WT4 O ATOM 48236 H1 TIP3 1017 87.075 30.970 46.528 1.00 0.00 WT4 H ATOM 48237 H2 TIP3 1017 86.597 32.350 46.128 1.00 0.00 WT4 H ATOM 48238 OH2 TIP3 1018 30.593 81.020 4.574 1.00 0.00 WT4 O ATOM 48239 H1 TIP3 1018 30.627 80.093 4.810 1.00 0.00 WT4 H ATOM 48240 H2 TIP3 1018 31.052 81.070 3.735 1.00 0.00 WT4 H ATOM 48241 OH2 TIP3 1027 74.229 68.857 25.011 1.00 0.00 WT4 O ATOM 48242 H1 TIP3 1027 73.759 68.913 25.843 1.00 0.00 WT4 H ATOM 48243 H2 TIP3 1027 73.670 69.321 24.388 1.00 0.00 WT4 H ATOM 48244 OH2 TIP3 1032 31.511 51.535 -14.392 1.00 0.00 WT4 O ATOM 48245 H1 TIP3 1032 31.393 50.609 -14.178 1.00 0.00 WT4 H ATOM 48246 H2 TIP3 1032 32.204 51.831 -13.802 1.00 0.00 WT4 H ATOM 48247 OH2 TIP3 1033 58.800 91.940 61.272 1.00 0.00 WT4 O ATOM 48248 H1 TIP3 1033 59.302 91.548 61.987 1.00 0.00 WT4 H ATOM 48249 H2 TIP3 1033 58.456 91.194 60.782 1.00 0.00 WT4 H ATOM 48250 OH2 TIP3 1040 56.262 1.987 50.539 1.00 0.00 WT4 O ATOM 48251 H1 TIP3 1040 56.445 2.045 51.477 1.00 0.00 WT4 H ATOM 48252 H2 TIP3 1040 55.577 2.638 50.388 1.00 0.00 WT4 H ATOM 48253 OH2 TIP3 1051 87.523 6.221 41.899 1.00 0.00 WT4 O ATOM 48254 H1 TIP3 1051 87.543 5.780 42.748 1.00 0.00 WT4 H ATOM 48255 H2 TIP3 1051 86.905 5.709 41.377 1.00 0.00 WT4 H ATOM 48256 OH2 TIP3 1053 28.044 76.190 61.515 1.00 0.00 WT4 O ATOM 48257 H1 TIP3 1053 28.649 76.552 62.163 1.00 0.00 WT4 H ATOM 48258 H2 TIP3 1053 27.764 76.946 61.000 1.00 0.00 WT4 H ATOM 48259 OH2 TIP3 1054 66.780 25.918 67.058 1.00 0.00 WT4 O ATOM 48260 H1 TIP3 1054 65.921 26.341 67.057 1.00 0.00 WT4 H ATOM 48261 H2 TIP3 1054 67.400 26.632 67.203 1.00 0.00 WT4 H ATOM 48262 OH2 TIP3 1055 60.016 75.252 18.114 1.00 0.00 WT4 O ATOM 48263 H1 TIP3 1055 59.728 74.411 17.760 1.00 0.00 WT4 H ATOM 48264 H2 TIP3 1055 60.346 75.044 18.988 1.00 0.00 WT4 H ATOM 48265 OH2 TIP3 1058 62.494 85.587 61.806 1.00 0.00 WT4 O ATOM 48266 H1 TIP3 1058 61.638 85.168 61.719 1.00 0.00 WT4 H ATOM 48267 H2 TIP3 1058 62.547 85.836 62.729 1.00 0.00 WT4 H ATOM 48268 OH2 TIP3 1059 69.173 39.794 40.770 1.00 0.00 WT4 O ATOM 48269 H1 TIP3 1059 68.319 40.226 40.778 1.00 0.00 WT4 H ATOM 48270 H2 TIP3 1059 69.131 39.191 40.028 1.00 0.00 WT4 H ATOM 48271 OH2 TIP3 1076 87.954 91.312 19.418 1.00 0.00 WT4 O ATOM 48272 H1 TIP3 1076 87.155 90.789 19.480 1.00 0.00 WT4 H ATOM 48273 H2 TIP3 1076 87.913 91.711 18.549 1.00 0.00 WT4 H ATOM 48274 OH2 TIP3 1094 88.506 8.796 46.737 1.00 0.00 WT4 O ATOM 48275 H1 TIP3 1094 87.623 8.528 46.990 1.00 0.00 WT4 H ATOM 48276 H2 TIP3 1094 88.400 9.179 45.866 1.00 0.00 WT4 H ATOM 48277 OH2 TIP3 1096 76.103 35.777 10.543 1.00 0.00 WT4 O ATOM 48278 H1 TIP3 1096 75.310 35.256 10.417 1.00 0.00 WT4 H ATOM 48279 H2 TIP3 1096 75.926 36.598 10.085 1.00 0.00 WT4 H ATOM 48280 OH2 TIP3 1098 82.656 88.350 -3.783 1.00 0.00 WT4 O ATOM 48281 H1 TIP3 1098 82.668 87.559 -4.322 1.00 0.00 WT4 H ATOM 48282 H2 TIP3 1098 82.615 89.069 -4.413 1.00 0.00 WT4 H ATOM 48283 OH2 TIP3 1112 61.818 37.457 22.569 1.00 0.00 WT4 O ATOM 48284 H1 TIP3 1112 60.874 37.535 22.708 1.00 0.00 WT4 H ATOM 48285 H2 TIP3 1112 61.948 37.708 21.654 1.00 0.00 WT4 H ATOM 48286 OH2 TIP3 1115 44.153 72.278 34.265 1.00 0.00 WT4 O ATOM 48287 H1 TIP3 1115 44.435 71.472 34.699 1.00 0.00 WT4 H ATOM 48288 H2 TIP3 1115 44.959 72.659 33.919 1.00 0.00 WT4 H ATOM 48289 OH2 TIP3 1117 71.430 73.387 43.156 1.00 0.00 WT4 O ATOM 48290 H1 TIP3 1117 71.317 74.322 43.330 1.00 0.00 WT4 H ATOM 48291 H2 TIP3 1117 71.117 73.271 42.259 1.00 0.00 WT4 H ATOM 48292 OH2 TIP3 1119 50.070 94.334 -3.044 1.00 0.00 WT4 O ATOM 48293 H1 TIP3 1119 50.669 93.911 -3.660 1.00 0.00 WT4 H ATOM 48294 H2 TIP3 1119 49.292 93.776 -3.046 1.00 0.00 WT4 H ATOM 48295 OH2 TIP3 1122 30.017 61.430 45.935 1.00 0.00 WT4 O ATOM 48296 H1 TIP3 1122 29.806 60.817 45.232 1.00 0.00 WT4 H ATOM 48297 H2 TIP3 1122 30.751 61.023 46.396 1.00 0.00 WT4 H ATOM 48298 OH2 TIP3 1137 37.703 91.233 52.876 1.00 0.00 WT4 O ATOM 48299 H1 TIP3 1137 38.194 90.852 53.605 1.00 0.00 WT4 H ATOM 48300 H2 TIP3 1137 37.548 92.140 53.139 1.00 0.00 WT4 H ATOM 48301 OH2 TIP3 1201 36.477 76.577 43.535 1.00 0.00 WT4 O ATOM 48302 H1 TIP3 1201 37.409 76.658 43.332 1.00 0.00 WT4 H ATOM 48303 H2 TIP3 1201 36.088 76.222 42.736 1.00 0.00 WT4 H ATOM 48304 OH2 TIP3 1301 29.069 18.734 53.220 1.00 0.00 WT4 O ATOM 48305 H1 TIP3 1301 29.596 19.516 53.384 1.00 0.00 WT4 H ATOM 48306 H2 TIP3 1301 29.697 18.012 53.244 1.00 0.00 WT4 H ATOM 48307 OH2 TIP3 1305 89.045 62.124 41.799 1.00 0.00 WT4 O ATOM 48308 H1 TIP3 1305 89.342 62.932 42.217 1.00 0.00 WT4 H ATOM 48309 H2 TIP3 1305 88.847 62.378 40.898 1.00 0.00 WT4 H ATOM 48310 OH2 TIP3 1307 50.879 87.653 -0.057 1.00 0.00 WT4 O ATOM 48311 H1 TIP3 1307 51.052 87.242 0.790 1.00 0.00 WT4 H ATOM 48312 H2 TIP3 1307 51.743 87.757 -0.455 1.00 0.00 WT4 H ATOM 48313 OH2 TIP3 1308 28.568 79.449 28.506 1.00 0.00 WT4 O ATOM 48314 H1 TIP3 1308 27.925 78.745 28.420 1.00 0.00 WT4 H ATOM 48315 H2 TIP3 1308 29.251 79.229 27.874 1.00 0.00 WT4 H ATOM 48316 OH2 TIP3 1322 79.625 73.718 52.256 1.00 0.00 WT4 O ATOM 48317 H1 TIP3 1322 79.038 73.990 51.551 1.00 0.00 WT4 H ATOM 48318 H2 TIP3 1322 79.052 73.301 52.899 1.00 0.00 WT4 H ATOM 48319 OH2 TIP3 1327 42.121 48.840 40.649 1.00 0.00 WT4 O ATOM 48320 H1 TIP3 1327 41.985 49.717 40.291 1.00 0.00 WT4 H ATOM 48321 H2 TIP3 1327 41.318 48.366 40.435 1.00 0.00 WT4 H ATOM 48322 OH2 TIP3 1328 20.404 36.714 40.641 1.00 0.00 WT4 O ATOM 48323 H1 TIP3 1328 21.069 36.659 41.328 1.00 0.00 WT4 H ATOM 48324 H2 TIP3 1328 20.395 37.638 40.390 1.00 0.00 WT4 H ATOM 48325 OH2 TIP3 1329 43.711 70.114 56.422 1.00 0.00 WT4 O ATOM 48326 H1 TIP3 1329 43.950 70.585 55.624 1.00 0.00 WT4 H ATOM 48327 H2 TIP3 1329 44.538 69.757 56.747 1.00 0.00 WT4 H ATOM 48328 OH2 TIP3 1330 37.365 67.871 13.564 1.00 0.00 WT4 O ATOM 48329 H1 TIP3 1330 38.102 67.384 13.933 1.00 0.00 WT4 H ATOM 48330 H2 TIP3 1330 36.945 67.253 12.966 1.00 0.00 WT4 H ATOM 48331 OH2 TIP3 1331 29.780 67.407 41.954 1.00 0.00 WT4 O ATOM 48332 H1 TIP3 1331 30.616 66.957 42.075 1.00 0.00 WT4 H ATOM 48333 H2 TIP3 1331 29.714 67.995 42.706 1.00 0.00 WT4 H ATOM 48334 OH2 TIP3 1333 41.280 4.419 -0.666 1.00 0.00 WT4 O ATOM 48335 H1 TIP3 1333 41.642 5.282 -0.869 1.00 0.00 WT4 H ATOM 48336 H2 TIP3 1333 40.544 4.599 -0.081 1.00 0.00 WT4 H ATOM 48337 OH2 TIP3 1344 83.489 54.768 6.845 1.00 0.00 WT4 O ATOM 48338 H1 TIP3 1344 83.412 54.094 7.520 1.00 0.00 WT4 H ATOM 48339 H2 TIP3 1344 84.132 55.385 7.194 1.00 0.00 WT4 H ATOM 48340 OH2 TIP3 1349 27.923 67.504 47.742 1.00 0.00 WT4 O ATOM 48341 H1 TIP3 1349 27.964 67.177 46.843 1.00 0.00 WT4 H ATOM 48342 H2 TIP3 1349 28.728 67.185 48.150 1.00 0.00 WT4 H ATOM 48343 OH2 TIP3 1350 32.788 63.879 56.815 1.00 0.00 WT4 O ATOM 48344 H1 TIP3 1350 31.833 63.885 56.753 1.00 0.00 WT4 H ATOM 48345 H2 TIP3 1350 33.051 63.058 56.399 1.00 0.00 WT4 H ATOM 48346 OH2 TIP3 1351 52.177 54.456 49.841 1.00 0.00 WT4 O ATOM 48347 H1 TIP3 1351 51.444 53.845 49.773 1.00 0.00 WT4 H ATOM 48348 H2 TIP3 1351 52.293 54.792 48.953 1.00 0.00 WT4 H ATOM 48349 OH2 TIP3 1352 84.502 53.495 56.688 1.00 0.00 WT4 O ATOM 48350 H1 TIP3 1352 83.769 52.925 56.457 1.00 0.00 WT4 H ATOM 48351 H2 TIP3 1352 85.021 52.981 57.305 1.00 0.00 WT4 H ATOM 48352 OH2 TIP3 1354 23.106 42.447 59.176 1.00 0.00 WT4 O ATOM 48353 H1 TIP3 1354 22.991 42.955 59.979 1.00 0.00 WT4 H ATOM 48354 H2 TIP3 1354 22.507 41.707 59.272 1.00 0.00 WT4 H ATOM 48355 OH2 TIP3 1367 90.461 14.435 62.923 1.00 0.00 WT4 O ATOM 48356 H1 TIP3 1367 89.777 14.012 63.442 1.00 0.00 WT4 H ATOM 48357 H2 TIP3 1367 90.746 15.175 63.459 1.00 0.00 WT4 H ATOM 48358 OH2 TIP3 1368 39.270 5.350 -14.464 1.00 0.00 WT4 O ATOM 48359 H1 TIP3 1368 39.307 6.023 -15.144 1.00 0.00 WT4 H ATOM 48360 H2 TIP3 1368 39.805 5.699 -13.752 1.00 0.00 WT4 H ATOM 48361 OH2 TIP3 1370 37.573 74.939 23.234 1.00 0.00 WT4 O ATOM 48362 H1 TIP3 1370 37.936 74.563 22.432 1.00 0.00 WT4 H ATOM 48363 H2 TIP3 1370 37.825 74.324 23.923 1.00 0.00 WT4 H ATOM 48364 OH2 TIP3 1371 85.344 57.213 -6.024 1.00 0.00 WT4 O ATOM 48365 H1 TIP3 1371 86.217 57.275 -6.413 1.00 0.00 WT4 H ATOM 48366 H2 TIP3 1371 85.293 56.317 -5.693 1.00 0.00 WT4 H ATOM 48367 OH2 TIP3 1374 30.497 68.853 46.452 1.00 0.00 WT4 O ATOM 48368 H1 TIP3 1374 30.541 67.974 46.828 1.00 0.00 WT4 H ATOM 48369 H2 TIP3 1374 30.354 68.707 45.516 1.00 0.00 WT4 H ATOM 48370 OH2 TIP3 1375 80.657 67.342 59.107 1.00 0.00 WT4 O ATOM 48371 H1 TIP3 1375 81.276 67.091 58.421 1.00 0.00 WT4 H ATOM 48372 H2 TIP3 1375 80.758 66.667 59.779 1.00 0.00 WT4 H ATOM 48373 OH2 TIP3 1386 21.883 67.745 37.286 1.00 0.00 WT4 O ATOM 48374 H1 TIP3 1386 21.610 67.750 36.368 1.00 0.00 WT4 H ATOM 48375 H2 TIP3 1386 22.471 68.496 37.365 1.00 0.00 WT4 H ATOM 48376 OH2 TIP3 1387 49.879 72.385 7.886 1.00 0.00 WT4 O ATOM 48377 H1 TIP3 1387 50.309 73.240 7.870 1.00 0.00 WT4 H ATOM 48378 H2 TIP3 1387 50.233 71.952 8.662 1.00 0.00 WT4 H ATOM 48379 OH2 TIP3 1388 49.878 15.370 -18.933 1.00 0.00 WT4 O ATOM 48380 H1 TIP3 1388 50.506 15.255 -19.646 1.00 0.00 WT4 H ATOM 48381 H2 TIP3 1388 49.806 16.318 -18.827 1.00 0.00 WT4 H ATOM 48382 OH2 TIP3 1389 45.546 9.166 42.968 1.00 0.00 WT4 O ATOM 48383 H1 TIP3 1389 45.901 9.567 42.174 1.00 0.00 WT4 H ATOM 48384 H2 TIP3 1389 46.156 8.457 43.172 1.00 0.00 WT4 H ATOM 48385 OH2 TIP3 1392 48.667 72.898 2.699 1.00 0.00 WT4 O ATOM 48386 H1 TIP3 1392 49.577 72.926 2.404 1.00 0.00 WT4 H ATOM 48387 H2 TIP3 1392 48.637 72.168 3.317 1.00 0.00 WT4 H ATOM 48388 OH2 TIP3 1393 24.600 6.862 -10.898 1.00 0.00 WT4 O ATOM 48389 H1 TIP3 1393 24.002 7.393 -11.424 1.00 0.00 WT4 H ATOM 48390 H2 TIP3 1393 25.240 6.528 -11.526 1.00 0.00 WT4 H ATOM 48391 OH2 TIP3 1407 40.659 80.457 65.460 1.00 0.00 WT4 O ATOM 48392 H1 TIP3 1407 40.604 81.349 65.118 1.00 0.00 WT4 H ATOM 48393 H2 TIP3 1407 41.402 80.476 66.062 1.00 0.00 WT4 H ATOM 48394 OH2 TIP3 1408 83.402 58.401 45.777 1.00 0.00 WT4 O ATOM 48395 H1 TIP3 1408 82.579 58.155 46.200 1.00 0.00 WT4 H ATOM 48396 H2 TIP3 1408 84.081 58.006 46.324 1.00 0.00 WT4 H ATOM 48397 OH2 TIP3 1411 45.044 28.173 -10.108 1.00 0.00 WT4 O ATOM 48398 H1 TIP3 1411 45.610 27.667 -9.526 1.00 0.00 WT4 H ATOM 48399 H2 TIP3 1411 44.284 28.396 -9.570 1.00 0.00 WT4 H ATOM 48400 OH2 TIP3 1412 59.187 58.131 34.260 1.00 0.00 WT4 O ATOM 48401 H1 TIP3 1412 59.381 58.262 33.332 1.00 0.00 WT4 H ATOM 48402 H2 TIP3 1412 58.269 57.860 34.277 1.00 0.00 WT4 H ATOM 48403 OH2 TIP3 1413 86.348 56.165 64.742 1.00 0.00 WT4 O ATOM 48404 H1 TIP3 1413 85.468 55.890 64.485 1.00 0.00 WT4 H ATOM 48405 H2 TIP3 1413 86.811 55.347 64.924 1.00 0.00 WT4 H ATOM 48406 OH2 TIP3 1414 79.275 31.320 1.058 1.00 0.00 WT4 O ATOM 48407 H1 TIP3 1414 79.195 31.748 1.910 1.00 0.00 WT4 H ATOM 48408 H2 TIP3 1414 79.037 30.408 1.224 1.00 0.00 WT4 H ATOM 48409 OH2 TIP3 1415 85.503 65.990 -5.285 1.00 0.00 WT4 O ATOM 48410 H1 TIP3 1415 85.767 66.117 -6.197 1.00 0.00 WT4 H ATOM 48411 H2 TIP3 1415 84.934 66.735 -5.093 1.00 0.00 WT4 H ATOM 48412 OH2 TIP3 1418 78.678 87.001 4.501 1.00 0.00 WT4 O ATOM 48413 H1 TIP3 1418 79.074 86.996 3.629 1.00 0.00 WT4 H ATOM 48414 H2 TIP3 1418 77.967 86.362 4.444 1.00 0.00 WT4 H ATOM 48415 OH2 TIP3 1425 87.746 1.240 7.188 1.00 0.00 WT4 O ATOM 48416 H1 TIP3 1425 88.250 0.441 7.031 1.00 0.00 WT4 H ATOM 48417 H2 TIP3 1425 86.832 0.964 7.119 1.00 0.00 WT4 H ATOM 48418 OH2 TIP3 1427 39.597 44.136 -9.466 1.00 0.00 WT4 O ATOM 48419 H1 TIP3 1427 39.738 43.202 -9.314 1.00 0.00 WT4 H ATOM 48420 H2 TIP3 1427 39.207 44.181 -10.339 1.00 0.00 WT4 H ATOM 48421 OH2 TIP3 1428 90.452 48.374 8.001 1.00 0.00 WT4 O ATOM 48422 H1 TIP3 1428 90.826 48.086 8.833 1.00 0.00 WT4 H ATOM 48423 H2 TIP3 1428 89.631 47.887 7.925 1.00 0.00 WT4 H ATOM 48424 OH2 TIP3 1429 73.522 26.806 60.693 1.00 0.00 WT4 O ATOM 48425 H1 TIP3 1429 74.065 26.360 60.042 1.00 0.00 WT4 H ATOM 48426 H2 TIP3 1429 72.778 26.219 60.827 1.00 0.00 WT4 H ATOM 48427 OH2 TIP3 1430 61.478 89.004 -7.173 1.00 0.00 WT4 O ATOM 48428 H1 TIP3 1430 62.369 88.800 -7.457 1.00 0.00 WT4 H ATOM 48429 H2 TIP3 1430 61.017 88.166 -7.212 1.00 0.00 WT4 H ATOM 48430 OH2 TIP3 1431 68.694 80.801 63.516 1.00 0.00 WT4 O ATOM 48431 H1 TIP3 1431 68.369 80.179 64.167 1.00 0.00 WT4 H ATOM 48432 H2 TIP3 1431 68.361 80.471 62.682 1.00 0.00 WT4 H ATOM 48433 OH2 TIP3 1433 24.670 87.344 1.163 1.00 0.00 WT4 O ATOM 48434 H1 TIP3 1433 24.770 86.540 0.653 1.00 0.00 WT4 H ATOM 48435 H2 TIP3 1433 24.628 87.048 2.072 1.00 0.00 WT4 H ATOM 48436 OH2 TIP3 1435 76.217 86.492 -4.421 1.00 0.00 WT4 O ATOM 48437 H1 TIP3 1435 75.400 86.235 -3.993 1.00 0.00 WT4 H ATOM 48438 H2 TIP3 1435 76.217 86.011 -5.248 1.00 0.00 WT4 H ATOM 48439 OH2 TIP3 1450 56.721 84.620 -9.529 1.00 0.00 WT4 O ATOM 48440 H1 TIP3 1450 56.940 84.579 -8.598 1.00 0.00 WT4 H ATOM 48441 H2 TIP3 1450 56.504 83.718 -9.764 1.00 0.00 WT4 H ATOM 48442 OH2 TIP3 1451 49.377 88.866 57.666 1.00 0.00 WT4 O ATOM 48443 H1 TIP3 1451 49.569 88.971 56.734 1.00 0.00 WT4 H ATOM 48444 H2 TIP3 1451 48.448 89.083 57.745 1.00 0.00 WT4 H ATOM 48445 OH2 TIP3 1452 36.146 16.788 29.823 1.00 0.00 WT4 O ATOM 48446 H1 TIP3 1452 35.622 17.393 29.298 1.00 0.00 WT4 H ATOM 48447 H2 TIP3 1452 37.045 17.104 29.728 1.00 0.00 WT4 H ATOM 48448 OH2 TIP3 1453 29.995 76.968 63.303 1.00 0.00 WT4 O ATOM 48449 H1 TIP3 1453 30.311 76.834 64.197 1.00 0.00 WT4 H ATOM 48450 H2 TIP3 1453 30.690 76.615 62.748 1.00 0.00 WT4 H ATOM 48451 OH2 TIP3 1454 84.224 32.714 58.743 1.00 0.00 WT4 O ATOM 48452 H1 TIP3 1454 83.517 33.045 59.298 1.00 0.00 WT4 H ATOM 48453 H2 TIP3 1454 84.568 33.492 58.304 1.00 0.00 WT4 H ATOM 48454 OH2 TIP3 1457 33.650 74.078 -6.014 1.00 0.00 WT4 O ATOM 48455 H1 TIP3 1457 33.780 74.843 -6.575 1.00 0.00 WT4 H ATOM 48456 H2 TIP3 1457 34.414 74.072 -5.437 1.00 0.00 WT4 H ATOM 48457 OH2 TIP3 1458 29.590 86.602 18.681 1.00 0.00 WT4 O ATOM 48458 H1 TIP3 1458 29.273 87.083 19.446 1.00 0.00 WT4 H ATOM 48459 H2 TIP3 1458 30.458 86.289 18.938 1.00 0.00 WT4 H ATOM 48460 OH2 TIP3 1474 36.913 58.698 58.886 1.00 0.00 WT4 O ATOM 48461 H1 TIP3 1474 36.676 59.619 58.989 1.00 0.00 WT4 H ATOM 48462 H2 TIP3 1474 36.847 58.536 57.945 1.00 0.00 WT4 H ATOM 48463 OH2 TIP3 1478 56.744 6.347 41.291 1.00 0.00 WT4 O ATOM 48464 H1 TIP3 1478 55.938 6.430 40.782 1.00 0.00 WT4 H ATOM 48465 H2 TIP3 1478 56.498 6.618 42.176 1.00 0.00 WT4 H ATOM 48466 OH2 TIP3 1480 46.592 32.209 -3.279 1.00 0.00 WT4 O ATOM 48467 H1 TIP3 1480 47.387 32.701 -3.074 1.00 0.00 WT4 H ATOM 48468 H2 TIP3 1480 46.180 32.703 -3.988 1.00 0.00 WT4 H ATOM 48469 OH2 TIP3 1493 79.852 78.594 60.409 1.00 0.00 WT4 O ATOM 48470 H1 TIP3 1493 78.931 78.529 60.156 1.00 0.00 WT4 H ATOM 48471 H2 TIP3 1493 79.896 78.177 61.269 1.00 0.00 WT4 H ATOM 48472 OH2 TIP3 1494 72.015 38.668 -12.899 1.00 0.00 WT4 O ATOM 48473 H1 TIP3 1494 72.657 39.347 -13.103 1.00 0.00 WT4 H ATOM 48474 H2 TIP3 1494 72.507 38.014 -12.402 1.00 0.00 WT4 H ATOM 48475 OH2 TIP3 1496 41.375 58.548 2.554 1.00 0.00 WT4 O ATOM 48476 H1 TIP3 1496 41.781 58.841 3.370 1.00 0.00 WT4 H ATOM 48477 H2 TIP3 1496 42.111 58.301 1.995 1.00 0.00 WT4 H ATOM 48478 OH2 TIP3 1497 86.282 28.892 28.586 1.00 0.00 WT4 O ATOM 48479 H1 TIP3 1497 86.613 28.931 27.688 1.00 0.00 WT4 H ATOM 48480 H2 TIP3 1497 85.921 29.764 28.747 1.00 0.00 WT4 H ATOM 48481 OH2 TIP3 1499 51.768 52.458 46.826 1.00 0.00 WT4 O ATOM 48482 H1 TIP3 1499 52.191 52.277 45.986 1.00 0.00 WT4 H ATOM 48483 H2 TIP3 1499 50.831 52.443 46.631 1.00 0.00 WT4 H ATOM 48484 OH2 TIP3 1512 24.904 74.267 36.053 1.00 0.00 WT4 O ATOM 48485 H1 TIP3 1512 25.315 75.131 36.096 1.00 0.00 WT4 H ATOM 48486 H2 TIP3 1512 24.148 74.332 36.635 1.00 0.00 WT4 H ATOM 48487 OH2 TIP3 1515 75.615 80.209 28.794 1.00 0.00 WT4 O ATOM 48488 H1 TIP3 1515 75.871 79.323 29.052 1.00 0.00 WT4 H ATOM 48489 H2 TIP3 1515 74.979 80.478 29.456 1.00 0.00 WT4 H ATOM 48490 OH2 TIP3 1519 75.486 71.173 57.934 1.00 0.00 WT4 O ATOM 48491 H1 TIP3 1519 75.663 70.244 58.081 1.00 0.00 WT4 H ATOM 48492 H2 TIP3 1519 74.734 71.184 57.342 1.00 0.00 WT4 H ATOM 48493 OH2 TIP3 1532 71.891 79.852 48.177 1.00 0.00 WT4 O ATOM 48494 H1 TIP3 1532 71.927 79.422 47.323 1.00 0.00 WT4 H ATOM 48495 H2 TIP3 1532 72.786 80.153 48.332 1.00 0.00 WT4 H ATOM 48496 OH2 TIP3 1551 53.191 89.975 51.442 1.00 0.00 WT4 O ATOM 48497 H1 TIP3 1551 53.821 89.304 51.705 1.00 0.00 WT4 H ATOM 48498 H2 TIP3 1551 53.572 90.367 50.656 1.00 0.00 WT4 H ATOM 48499 OH2 TIP3 1558 28.125 67.390 0.260 1.00 0.00 WT4 O ATOM 48500 H1 TIP3 1558 28.224 67.710 1.157 1.00 0.00 WT4 H ATOM 48501 H2 TIP3 1558 29.013 67.398 -0.097 1.00 0.00 WT4 H ATOM 48502 OH2 TIP3 1559 70.379 31.992 43.596 1.00 0.00 WT4 O ATOM 48503 H1 TIP3 1559 69.884 31.311 43.139 1.00 0.00 WT4 H ATOM 48504 H2 TIP3 1559 70.217 31.824 44.524 1.00 0.00 WT4 H ATOM 48505 OH2 TIP3 1618 63.709 6.114 6.199 1.00 0.00 WT4 O ATOM 48506 H1 TIP3 1618 64.372 6.100 5.509 1.00 0.00 WT4 H ATOM 48507 H2 TIP3 1618 62.986 6.620 5.828 1.00 0.00 WT4 H ATOM 48508 OH2 TIP3 1621 31.288 44.385 -11.964 1.00 0.00 WT4 O ATOM 48509 H1 TIP3 1621 31.380 44.019 -11.084 1.00 0.00 WT4 H ATOM 48510 H2 TIP3 1621 30.706 45.137 -11.851 1.00 0.00 WT4 H ATOM 48511 OH2 TIP3 1707 48.307 50.855 49.957 1.00 0.00 WT4 O ATOM 48512 H1 TIP3 1707 48.566 51.776 50.000 1.00 0.00 WT4 H ATOM 48513 H2 TIP3 1707 48.588 50.488 50.795 1.00 0.00 WT4 H ATOM 48514 OH2 TIP3 1712 60.746 36.327 33.920 1.00 0.00 WT4 O ATOM 48515 H1 TIP3 1712 60.677 35.410 33.654 1.00 0.00 WT4 H ATOM 48516 H2 TIP3 1712 60.712 36.818 33.099 1.00 0.00 WT4 H ATOM 48517 OH2 TIP3 1723 44.911 60.644 2.176 1.00 0.00 WT4 O ATOM 48518 H1 TIP3 1723 45.773 60.635 2.592 1.00 0.00 WT4 H ATOM 48519 H2 TIP3 1723 44.664 61.568 2.153 1.00 0.00 WT4 H ATOM 48520 OH2 TIP3 1725 57.567 53.231 36.464 1.00 0.00 WT4 O ATOM 48521 H1 TIP3 1725 56.634 53.030 36.535 1.00 0.00 WT4 H ATOM 48522 H2 TIP3 1725 57.594 54.133 36.147 1.00 0.00 WT4 H ATOM 48523 OH2 TIP3 1730 73.787 61.125 50.057 1.00 0.00 WT4 O ATOM 48524 H1 TIP3 1730 74.540 61.519 50.496 1.00 0.00 WT4 H ATOM 48525 H2 TIP3 1730 73.071 61.742 50.209 1.00 0.00 WT4 H ATOM 48526 OH2 TIP3 1733 63.612 4.413 44.497 1.00 0.00 WT4 O ATOM 48527 H1 TIP3 1733 62.747 4.007 44.554 1.00 0.00 WT4 H ATOM 48528 H2 TIP3 1733 63.510 5.106 43.845 1.00 0.00 WT4 H ATOM 48529 OH2 TIP3 1746 39.107 82.944 49.190 1.00 0.00 WT4 O ATOM 48530 H1 TIP3 1746 38.605 83.004 50.003 1.00 0.00 WT4 H ATOM 48531 H2 TIP3 1746 38.451 82.769 48.515 1.00 0.00 WT4 H ATOM 48532 OH2 TIP3 1748 74.549 40.881 -15.222 1.00 0.00 WT4 O ATOM 48533 H1 TIP3 1748 74.941 40.069 -15.543 1.00 0.00 WT4 H ATOM 48534 H2 TIP3 1748 74.406 40.726 -14.289 1.00 0.00 WT4 H ATOM 48535 OH2 TIP3 1750 42.645 82.565 -1.903 1.00 0.00 WT4 O ATOM 48536 H1 TIP3 1750 43.154 81.778 -2.100 1.00 0.00 WT4 H ATOM 48537 H2 TIP3 1750 43.230 83.290 -2.122 1.00 0.00 WT4 H ATOM 48538 OH2 TIP3 1764 52.610 95.604 -10.377 1.00 0.00 WT4 O ATOM 48539 H1 TIP3 1764 53.542 95.396 -10.436 1.00 0.00 WT4 H ATOM 48540 H2 TIP3 1764 52.409 96.042 -11.204 1.00 0.00 WT4 H ATOM 48541 OH2 TIP3 1766 59.592 81.662 31.623 1.00 0.00 WT4 O ATOM 48542 H1 TIP3 1766 58.949 82.008 31.004 1.00 0.00 WT4 H ATOM 48543 H2 TIP3 1766 59.067 81.322 32.349 1.00 0.00 WT4 H ATOM 48544 OH2 TIP3 1768 40.853 20.295 -18.922 1.00 0.00 WT4 O ATOM 48545 H1 TIP3 1768 41.766 20.036 -18.797 1.00 0.00 WT4 H ATOM 48546 H2 TIP3 1768 40.347 19.616 -18.474 1.00 0.00 WT4 H ATOM 48547 OH2 TIP3 1771 77.329 25.782 -11.045 1.00 0.00 WT4 O ATOM 48548 H1 TIP3 1771 76.767 25.057 -10.773 1.00 0.00 WT4 H ATOM 48549 H2 TIP3 1771 77.373 25.708 -11.998 1.00 0.00 WT4 H ATOM 48550 OH2 TIP3 1773 47.010 49.528 -5.016 1.00 0.00 WT4 O ATOM 48551 H1 TIP3 1773 47.479 48.706 -5.161 1.00 0.00 WT4 H ATOM 48552 H2 TIP3 1773 47.383 49.878 -4.207 1.00 0.00 WT4 H ATOM 48553 OH2 TIP3 1788 52.022 20.375 -16.890 1.00 0.00 WT4 O ATOM 48554 H1 TIP3 1788 52.773 20.123 -16.352 1.00 0.00 WT4 H ATOM 48555 H2 TIP3 1788 52.208 20.002 -17.751 1.00 0.00 WT4 H ATOM 48556 OH2 TIP3 1789 74.707 63.644 3.510 1.00 0.00 WT4 O ATOM 48557 H1 TIP3 1789 74.396 63.828 4.396 1.00 0.00 WT4 H ATOM 48558 H2 TIP3 1789 74.468 64.421 3.005 1.00 0.00 WT4 H ATOM 48559 OH2 TIP3 1790 72.814 36.828 -17.075 1.00 0.00 WT4 O ATOM 48560 H1 TIP3 1790 73.740 36.632 -16.933 1.00 0.00 WT4 H ATOM 48561 H2 TIP3 1790 72.455 36.026 -17.453 1.00 0.00 WT4 H ATOM 48562 OH2 TIP3 1795 34.456 49.281 35.381 1.00 0.00 WT4 O ATOM 48563 H1 TIP3 1795 33.880 48.718 34.865 1.00 0.00 WT4 H ATOM 48564 H2 TIP3 1795 35.327 48.899 35.270 1.00 0.00 WT4 H ATOM 48565 OH2 TIP3 1796 21.790 90.396 43.193 1.00 0.00 WT4 O ATOM 48566 H1 TIP3 1796 22.116 89.880 42.455 1.00 0.00 WT4 H ATOM 48567 H2 TIP3 1796 22.048 91.295 42.990 1.00 0.00 WT4 H ATOM 48568 OH2 TIP3 1810 90.267 80.451 36.909 1.00 0.00 WT4 O ATOM 48569 H1 TIP3 1810 89.939 80.726 36.053 1.00 0.00 WT4 H ATOM 48570 H2 TIP3 1810 90.563 79.551 36.775 1.00 0.00 WT4 H ATOM 48571 OH2 TIP3 1811 69.858 32.450 54.599 1.00 0.00 WT4 O ATOM 48572 H1 TIP3 1811 69.525 33.302 54.316 1.00 0.00 WT4 H ATOM 48573 H2 TIP3 1811 70.575 32.260 53.995 1.00 0.00 WT4 H ATOM 48574 OH2 TIP3 1813 30.928 61.435 54.373 1.00 0.00 WT4 O ATOM 48575 H1 TIP3 1813 30.748 62.179 53.797 1.00 0.00 WT4 H ATOM 48576 H2 TIP3 1813 31.867 61.277 54.274 1.00 0.00 WT4 H ATOM 48577 OH2 TIP3 1814 44.047 23.225 31.594 1.00 0.00 WT4 O ATOM 48578 H1 TIP3 1814 44.561 22.523 31.194 1.00 0.00 WT4 H ATOM 48579 H2 TIP3 1814 43.783 23.778 30.859 1.00 0.00 WT4 H ATOM 48580 OH2 TIP3 1816 48.518 92.295 18.795 1.00 0.00 WT4 O ATOM 48581 H1 TIP3 1816 49.017 93.108 18.867 1.00 0.00 WT4 H ATOM 48582 H2 TIP3 1816 47.687 92.557 18.398 1.00 0.00 WT4 H ATOM 48583 OH2 TIP3 1829 88.034 85.388 19.298 1.00 0.00 WT4 O ATOM 48584 H1 TIP3 1829 88.069 84.487 18.976 1.00 0.00 WT4 H ATOM 48585 H2 TIP3 1829 88.934 85.705 19.224 1.00 0.00 WT4 H ATOM 48586 OH2 TIP3 1830 58.425 47.335 47.042 1.00 0.00 WT4 O ATOM 48587 H1 TIP3 1830 59.078 47.850 46.568 1.00 0.00 WT4 H ATOM 48588 H2 TIP3 1830 58.327 46.536 46.523 1.00 0.00 WT4 H ATOM 48589 OH2 TIP3 1831 44.242 66.035 62.071 1.00 0.00 WT4 O ATOM 48590 H1 TIP3 1831 43.569 66.702 62.210 1.00 0.00 WT4 H ATOM 48591 H2 TIP3 1831 45.069 66.515 62.118 1.00 0.00 WT4 H ATOM 48592 OH2 TIP3 1832 23.692 66.087 24.963 1.00 0.00 WT4 O ATOM 48593 H1 TIP3 1832 22.766 65.908 25.121 1.00 0.00 WT4 H ATOM 48594 H2 TIP3 1832 24.085 65.224 24.833 1.00 0.00 WT4 H ATOM 48595 OH2 TIP3 1835 57.241 63.341 51.532 1.00 0.00 WT4 O ATOM 48596 H1 TIP3 1835 57.497 62.454 51.280 1.00 0.00 WT4 H ATOM 48597 H2 TIP3 1835 56.311 63.395 51.312 1.00 0.00 WT4 H ATOM 48598 OH2 TIP3 1837 32.104 24.764 46.588 1.00 0.00 WT4 O ATOM 48599 H1 TIP3 1837 32.912 25.276 46.630 1.00 0.00 WT4 H ATOM 48600 H2 TIP3 1837 32.278 24.096 45.925 1.00 0.00 WT4 H ATOM 48601 OH2 TIP3 1847 24.204 1.271 -10.014 1.00 0.00 WT4 O ATOM 48602 H1 TIP3 1847 23.418 1.787 -9.834 1.00 0.00 WT4 H ATOM 48603 H2 TIP3 1847 24.471 0.933 -9.159 1.00 0.00 WT4 H ATOM 48604 OH2 TIP3 1850 89.429 3.602 45.529 1.00 0.00 WT4 O ATOM 48605 H1 TIP3 1850 89.695 4.058 46.328 1.00 0.00 WT4 H ATOM 48606 H2 TIP3 1850 90.050 2.877 45.449 1.00 0.00 WT4 H ATOM 48607 OH2 TIP3 1851 65.159 79.331 -15.591 1.00 0.00 WT4 O ATOM 48608 H1 TIP3 1851 64.869 78.755 -14.883 1.00 0.00 WT4 H ATOM 48609 H2 TIP3 1851 64.638 79.062 -16.348 1.00 0.00 WT4 H ATOM 48610 OH2 TIP3 1852 79.340 4.822 49.481 1.00 0.00 WT4 O ATOM 48611 H1 TIP3 1852 79.270 4.926 50.430 1.00 0.00 WT4 H ATOM 48612 H2 TIP3 1852 78.768 4.082 49.278 1.00 0.00 WT4 H ATOM 48613 OH2 TIP3 1853 37.379 40.757 46.264 1.00 0.00 WT4 O ATOM 48614 H1 TIP3 1853 37.154 41.596 45.860 1.00 0.00 WT4 H ATOM 48615 H2 TIP3 1853 37.138 40.103 45.608 1.00 0.00 WT4 H ATOM 48616 OH2 TIP3 1856 41.780 53.802 35.512 1.00 0.00 WT4 O ATOM 48617 H1 TIP3 1856 42.308 54.583 35.346 1.00 0.00 WT4 H ATOM 48618 H2 TIP3 1856 41.395 53.588 34.662 1.00 0.00 WT4 H ATOM 48619 OH2 TIP3 1870 64.456 2.738 47.815 1.00 0.00 WT4 O ATOM 48620 H1 TIP3 1870 65.144 2.099 47.998 1.00 0.00 WT4 H ATOM 48621 H2 TIP3 1870 64.632 3.033 46.922 1.00 0.00 WT4 H ATOM 48622 OH2 TIP3 1871 83.415 61.713 -14.019 1.00 0.00 WT4 O ATOM 48623 H1 TIP3 1871 82.551 61.323 -13.885 1.00 0.00 WT4 H ATOM 48624 H2 TIP3 1871 83.636 61.500 -14.925 1.00 0.00 WT4 H ATOM 48625 OH2 TIP3 1872 38.726 78.766 26.816 1.00 0.00 WT4 O ATOM 48626 H1 TIP3 1872 38.297 78.158 27.417 1.00 0.00 WT4 H ATOM 48627 H2 TIP3 1872 39.485 79.089 27.303 1.00 0.00 WT4 H ATOM 48628 OH2 TIP3 1873 72.803 80.944 -2.681 1.00 0.00 WT4 O ATOM 48629 H1 TIP3 1873 73.193 80.300 -2.090 1.00 0.00 WT4 H ATOM 48630 H2 TIP3 1873 71.868 80.741 -2.675 1.00 0.00 WT4 H ATOM 48631 OH2 TIP3 1875 42.326 75.660 55.869 1.00 0.00 WT4 O ATOM 48632 H1 TIP3 1875 42.400 75.326 54.975 1.00 0.00 WT4 H ATOM 48633 H2 TIP3 1875 42.862 76.453 55.874 1.00 0.00 WT4 H ATOM 48634 OH2 TIP3 1881 74.799 52.576 54.469 1.00 0.00 WT4 O ATOM 48635 H1 TIP3 1881 73.871 52.798 54.545 1.00 0.00 WT4 H ATOM 48636 H2 TIP3 1881 75.258 53.387 54.691 1.00 0.00 WT4 H ATOM 48637 OH2 TIP3 1885 25.756 71.837 8.967 1.00 0.00 WT4 O ATOM 48638 H1 TIP3 1885 26.066 72.719 8.764 1.00 0.00 WT4 H ATOM 48639 H2 TIP3 1885 25.978 71.710 9.890 1.00 0.00 WT4 H ATOM 48640 OH2 TIP3 1891 40.363 79.205 -3.570 1.00 0.00 WT4 O ATOM 48641 H1 TIP3 1891 40.198 79.320 -2.634 1.00 0.00 WT4 H ATOM 48642 H2 TIP3 1891 40.530 80.090 -3.895 1.00 0.00 WT4 H ATOM 48643 OH2 TIP3 1894 47.072 83.066 -2.320 1.00 0.00 WT4 O ATOM 48644 H1 TIP3 1894 47.944 83.199 -2.692 1.00 0.00 WT4 H ATOM 48645 H2 TIP3 1894 46.681 82.383 -2.865 1.00 0.00 WT4 H ATOM 48646 OH2 TIP3 1895 24.034 75.306 50.625 1.00 0.00 WT4 O ATOM 48647 H1 TIP3 1895 23.282 75.890 50.523 1.00 0.00 WT4 H ATOM 48648 H2 TIP3 1895 24.244 75.027 49.734 1.00 0.00 WT4 H ATOM 48649 OH2 TIP3 1896 72.992 13.790 59.520 1.00 0.00 WT4 O ATOM 48650 H1 TIP3 1896 72.298 14.337 59.152 1.00 0.00 WT4 H ATOM 48651 H2 TIP3 1896 72.534 13.025 59.869 1.00 0.00 WT4 H ATOM 48652 OH2 TIP3 1897 87.490 91.723 48.539 1.00 0.00 WT4 O ATOM 48653 H1 TIP3 1897 88.289 91.405 48.119 1.00 0.00 WT4 H ATOM 48654 H2 TIP3 1897 87.566 91.436 49.449 1.00 0.00 WT4 H ATOM 48655 OH2 TIP3 1911 86.648 83.521 12.700 1.00 0.00 WT4 O ATOM 48656 H1 TIP3 1911 86.257 83.138 11.915 1.00 0.00 WT4 H ATOM 48657 H2 TIP3 1911 86.355 84.432 12.694 1.00 0.00 WT4 H ATOM 48658 OH2 TIP3 1912 66.380 12.995 -19.810 1.00 0.00 WT4 O ATOM 48659 H1 TIP3 1912 65.534 12.914 -20.249 1.00 0.00 WT4 H ATOM 48660 H2 TIP3 1912 66.200 12.773 -18.897 1.00 0.00 WT4 H ATOM 48661 OH2 TIP3 1914 70.939 65.454 50.116 1.00 0.00 WT4 O ATOM 48662 H1 TIP3 1914 71.508 64.918 49.563 1.00 0.00 WT4 H ATOM 48663 H2 TIP3 1914 70.105 65.483 49.646 1.00 0.00 WT4 H ATOM 48664 OH2 TIP3 1915 51.618 1.748 53.508 1.00 0.00 WT4 O ATOM 48665 H1 TIP3 1915 51.384 2.046 54.387 1.00 0.00 WT4 H ATOM 48666 H2 TIP3 1915 51.675 2.551 52.990 1.00 0.00 WT4 H ATOM 48667 OH2 TIP3 1917 78.658 92.924 8.204 1.00 0.00 WT4 O ATOM 48668 H1 TIP3 1917 78.858 93.360 7.375 1.00 0.00 WT4 H ATOM 48669 H2 TIP3 1917 79.141 92.098 8.163 1.00 0.00 WT4 H ATOM 48670 OH2 TIP3 1919 67.380 59.278 52.981 1.00 0.00 WT4 O ATOM 48671 H1 TIP3 1919 67.340 59.962 52.312 1.00 0.00 WT4 H ATOM 48672 H2 TIP3 1919 68.189 58.804 52.791 1.00 0.00 WT4 H ATOM 48673 OH2 TIP3 1931 73.236 26.887 25.134 1.00 0.00 WT4 O ATOM 48674 H1 TIP3 1931 72.335 26.664 25.367 1.00 0.00 WT4 H ATOM 48675 H2 TIP3 1931 73.405 26.395 24.330 1.00 0.00 WT4 H ATOM 48676 OH2 TIP3 1935 63.400 16.559 -0.086 1.00 0.00 WT4 O ATOM 48677 H1 TIP3 1935 63.918 15.795 0.166 1.00 0.00 WT4 H ATOM 48678 H2 TIP3 1935 63.566 17.200 0.605 1.00 0.00 WT4 H ATOM 48679 OH2 TIP3 1936 82.308 65.540 9.495 1.00 0.00 WT4 O ATOM 48680 H1 TIP3 1936 82.909 65.277 8.799 1.00 0.00 WT4 H ATOM 48681 H2 TIP3 1936 81.954 64.716 9.831 1.00 0.00 WT4 H ATOM 48682 OH2 TIP3 1937 59.718 13.298 -16.272 1.00 0.00 WT4 O ATOM 48683 H1 TIP3 1937 59.139 12.537 -16.315 1.00 0.00 WT4 H ATOM 48684 H2 TIP3 1937 60.363 13.071 -15.603 1.00 0.00 WT4 H ATOM 48685 OH2 TIP3 1938 59.637 8.586 22.624 1.00 0.00 WT4 O ATOM 48686 H1 TIP3 1938 60.358 8.676 23.248 1.00 0.00 WT4 H ATOM 48687 H2 TIP3 1938 59.988 8.929 21.802 1.00 0.00 WT4 H ATOM 48688 OH2 TIP3 1950 24.582 57.735 -6.128 1.00 0.00 WT4 O ATOM 48689 H1 TIP3 1950 23.926 58.221 -5.628 1.00 0.00 WT4 H ATOM 48690 H2 TIP3 1950 25.236 58.391 -6.367 1.00 0.00 WT4 H ATOM 48691 OH2 TIP3 1952 81.035 66.490 44.690 1.00 0.00 WT4 O ATOM 48692 H1 TIP3 1952 80.344 66.986 44.252 1.00 0.00 WT4 H ATOM 48693 H2 TIP3 1952 80.768 65.575 44.600 1.00 0.00 WT4 H ATOM 48694 OH2 TIP3 1954 22.023 6.207 2.450 1.00 0.00 WT4 O ATOM 48695 H1 TIP3 1954 22.688 6.881 2.303 1.00 0.00 WT4 H ATOM 48696 H2 TIP3 1954 21.580 6.479 3.253 1.00 0.00 WT4 H ATOM 48697 OH2 TIP3 1955 78.901 76.224 17.140 1.00 0.00 WT4 O ATOM 48698 H1 TIP3 1955 78.396 76.867 17.637 1.00 0.00 WT4 H ATOM 48699 H2 TIP3 1955 78.584 75.376 17.451 1.00 0.00 WT4 H ATOM 48700 OH2 TIP3 1977 54.954 73.689 54.933 1.00 0.00 WT4 O ATOM 48701 H1 TIP3 1977 55.317 73.659 55.818 1.00 0.00 WT4 H ATOM 48702 H2 TIP3 1977 54.050 73.390 55.035 1.00 0.00 WT4 H ATOM 48703 OH2 TIP3 1983 78.315 46.173 55.400 1.00 0.00 WT4 O ATOM 48704 H1 TIP3 1983 78.342 45.308 54.991 1.00 0.00 WT4 H ATOM 48705 H2 TIP3 1983 78.071 46.767 54.690 1.00 0.00 WT4 H ATOM 48706 OH2 TIP3 1993 88.097 92.954 17.171 1.00 0.00 WT4 O ATOM 48707 H1 TIP3 1993 87.820 93.648 16.573 1.00 0.00 WT4 H ATOM 48708 H2 TIP3 1993 88.659 93.397 17.808 1.00 0.00 WT4 H ATOM 48709 OH2 TIP3 2002 57.192 82.376 -14.412 1.00 0.00 WT4 O ATOM 48710 H1 TIP3 2002 56.356 82.588 -14.827 1.00 0.00 WT4 H ATOM 48711 H2 TIP3 2002 56.981 81.680 -13.790 1.00 0.00 WT4 H ATOM 48712 OH2 TIP3 2021 40.485 50.929 -15.078 1.00 0.00 WT4 O ATOM 48713 H1 TIP3 2021 40.546 50.501 -15.932 1.00 0.00 WT4 H ATOM 48714 H2 TIP3 2021 41.248 51.506 -15.044 1.00 0.00 WT4 H ATOM 48715 OH2 TIP3 2105 60.158 95.777 29.278 1.00 0.00 WT4 O ATOM 48716 H1 TIP3 2105 59.230 95.655 29.079 1.00 0.00 WT4 H ATOM 48717 H2 TIP3 2105 60.607 95.132 28.732 1.00 0.00 WT4 H ATOM 48718 OH2 TIP3 2123 83.464 71.052 41.430 1.00 0.00 WT4 O ATOM 48719 H1 TIP3 2123 83.219 70.211 41.045 1.00 0.00 WT4 H ATOM 48720 H2 TIP3 2123 84.280 70.874 41.897 1.00 0.00 WT4 H ATOM 48721 OH2 TIP3 2163 71.462 76.902 7.618 1.00 0.00 WT4 O ATOM 48722 H1 TIP3 2163 70.620 76.449 7.568 1.00 0.00 WT4 H ATOM 48723 H2 TIP3 2163 72.114 76.206 7.544 1.00 0.00 WT4 H ATOM 48724 OH2 TIP3 2165 38.780 31.367 57.942 1.00 0.00 WT4 O ATOM 48725 H1 TIP3 2165 38.069 31.998 58.053 1.00 0.00 WT4 H ATOM 48726 H2 TIP3 2165 38.661 31.025 57.056 1.00 0.00 WT4 H ATOM 48727 OH2 TIP3 2167 72.082 11.988 49.896 1.00 0.00 WT4 O ATOM 48728 H1 TIP3 2167 71.905 12.749 49.343 1.00 0.00 WT4 H ATOM 48729 H2 TIP3 2167 71.765 12.243 50.763 1.00 0.00 WT4 H ATOM 48730 OH2 TIP3 2185 83.711 95.504 62.549 1.00 0.00 WT4 O ATOM 48731 H1 TIP3 2185 83.650 94.723 61.998 1.00 0.00 WT4 H ATOM 48732 H2 TIP3 2185 84.014 95.177 63.396 1.00 0.00 WT4 H ATOM 48733 OH2 TIP3 2186 41.758 52.919 59.266 1.00 0.00 WT4 O ATOM 48734 H1 TIP3 2186 42.079 53.461 59.987 1.00 0.00 WT4 H ATOM 48735 H2 TIP3 2186 40.822 53.110 59.219 1.00 0.00 WT4 H ATOM 48736 OH2 TIP3 2187 82.945 90.691 2.675 1.00 0.00 WT4 O ATOM 48737 H1 TIP3 2187 82.502 90.391 1.881 1.00 0.00 WT4 H ATOM 48738 H2 TIP3 2187 83.777 90.216 2.679 1.00 0.00 WT4 H ATOM 48739 OH2 TIP3 2208 72.866 88.252 32.907 1.00 0.00 WT4 O ATOM 48740 H1 TIP3 2208 73.286 87.599 32.346 1.00 0.00 WT4 H ATOM 48741 H2 TIP3 2208 71.954 87.967 32.965 1.00 0.00 WT4 H ATOM 48742 OH2 TIP3 2227 37.918 55.206 43.373 1.00 0.00 WT4 O ATOM 48743 H1 TIP3 2227 38.142 55.272 42.444 1.00 0.00 WT4 H ATOM 48744 H2 TIP3 2227 37.462 56.024 43.568 1.00 0.00 WT4 H ATOM 48745 OH2 TIP3 2229 68.497 70.697 56.955 1.00 0.00 WT4 O ATOM 48746 H1 TIP3 2229 67.554 70.696 56.791 1.00 0.00 WT4 H ATOM 48747 H2 TIP3 2229 68.634 71.423 57.565 1.00 0.00 WT4 H ATOM 48748 OH2 TIP3 2231 89.038 51.289 17.578 1.00 0.00 WT4 O ATOM 48749 H1 TIP3 2231 88.888 50.413 17.934 1.00 0.00 WT4 H ATOM 48750 H2 TIP3 2231 88.943 51.183 16.632 1.00 0.00 WT4 H ATOM 48751 OH2 TIP3 2232 82.033 87.855 -16.090 1.00 0.00 WT4 O ATOM 48752 H1 TIP3 2232 82.525 88.205 -16.833 1.00 0.00 WT4 H ATOM 48753 H2 TIP3 2232 81.848 86.947 -16.330 1.00 0.00 WT4 H ATOM 48754 OH2 TIP3 2251 38.620 22.470 27.099 1.00 0.00 WT4 O ATOM 48755 H1 TIP3 2251 38.092 22.334 26.312 1.00 0.00 WT4 H ATOM 48756 H2 TIP3 2251 39.472 22.090 26.885 1.00 0.00 WT4 H ATOM 48757 OH2 TIP3 2253 40.819 79.656 28.157 1.00 0.00 WT4 O ATOM 48758 H1 TIP3 2253 41.573 79.624 27.568 1.00 0.00 WT4 H ATOM 48759 H2 TIP3 2253 41.174 79.426 29.015 1.00 0.00 WT4 H ATOM 48760 OH2 TIP3 2254 80.394 63.841 43.109 1.00 0.00 WT4 O ATOM 48761 H1 TIP3 2254 81.002 63.221 42.707 1.00 0.00 WT4 H ATOM 48762 H2 TIP3 2254 80.234 64.496 42.430 1.00 0.00 WT4 H ATOM 48763 OH2 TIP3 2269 69.310 90.343 -9.879 1.00 0.00 WT4 O ATOM 48764 H1 TIP3 2269 68.622 90.163 -9.239 1.00 0.00 WT4 H ATOM 48765 H2 TIP3 2269 69.365 89.545 -10.404 1.00 0.00 WT4 H ATOM 48766 OH2 TIP3 2270 82.443 51.993 50.161 1.00 0.00 WT4 O ATOM 48767 H1 TIP3 2270 82.051 51.193 50.513 1.00 0.00 WT4 H ATOM 48768 H2 TIP3 2270 81.752 52.651 50.235 1.00 0.00 WT4 H ATOM 48769 OH2 TIP3 2271 61.744 60.816 -19.932 1.00 0.00 WT4 O ATOM 48770 H1 TIP3 2271 62.480 61.405 -20.100 1.00 0.00 WT4 H ATOM 48771 H2 TIP3 2271 61.441 61.054 -19.056 1.00 0.00 WT4 H ATOM 48772 OH2 TIP3 2272 24.864 48.021 -4.427 1.00 0.00 WT4 O ATOM 48773 H1 TIP3 2272 24.098 48.592 -4.361 1.00 0.00 WT4 H ATOM 48774 H2 TIP3 2272 24.996 47.693 -3.537 1.00 0.00 WT4 H ATOM 48775 OH2 TIP3 2273 68.543 74.898 -16.076 1.00 0.00 WT4 O ATOM 48776 H1 TIP3 2273 68.984 74.079 -16.301 1.00 0.00 WT4 H ATOM 48777 H2 TIP3 2273 69.246 75.547 -16.040 1.00 0.00 WT4 H ATOM 48778 OH2 TIP3 2274 30.187 50.589 42.436 1.00 0.00 WT4 O ATOM 48779 H1 TIP3 2274 30.880 50.403 43.070 1.00 0.00 WT4 H ATOM 48780 H2 TIP3 2274 30.464 50.137 41.639 1.00 0.00 WT4 H ATOM 48781 OH2 TIP3 2275 46.572 94.794 8.840 1.00 0.00 WT4 O ATOM 48782 H1 TIP3 2275 46.772 94.991 9.755 1.00 0.00 WT4 H ATOM 48783 H2 TIP3 2275 45.632 94.613 8.833 1.00 0.00 WT4 H ATOM 48784 OH2 TIP3 2277 23.697 82.247 1.371 1.00 0.00 WT4 O ATOM 48785 H1 TIP3 2277 24.273 82.711 0.763 1.00 0.00 WT4 H ATOM 48786 H2 TIP3 2277 24.147 82.298 2.214 1.00 0.00 WT4 H ATOM 48787 OH2 TIP3 2280 49.946 79.793 49.458 1.00 0.00 WT4 O ATOM 48788 H1 TIP3 2280 50.857 79.702 49.178 1.00 0.00 WT4 H ATOM 48789 H2 TIP3 2280 49.745 80.719 49.324 1.00 0.00 WT4 H ATOM 48790 OH2 TIP3 2288 62.005 94.014 36.030 1.00 0.00 WT4 O ATOM 48791 H1 TIP3 2288 61.741 93.099 36.123 1.00 0.00 WT4 H ATOM 48792 H2 TIP3 2288 61.683 94.439 36.825 1.00 0.00 WT4 H ATOM 48793 OH2 TIP3 2292 87.496 76.031 28.532 1.00 0.00 WT4 O ATOM 48794 H1 TIP3 2292 87.903 75.586 27.788 1.00 0.00 WT4 H ATOM 48795 H2 TIP3 2292 88.099 75.882 29.260 1.00 0.00 WT4 H ATOM 48796 OH2 TIP3 2293 36.910 5.280 10.704 1.00 0.00 WT4 O ATOM 48797 H1 TIP3 2293 36.230 4.620 10.843 1.00 0.00 WT4 H ATOM 48798 H2 TIP3 2293 37.304 5.404 11.568 1.00 0.00 WT4 H ATOM 48799 OH2 TIP3 2294 53.355 27.081 64.767 1.00 0.00 WT4 O ATOM 48800 H1 TIP3 2294 54.262 26.779 64.803 1.00 0.00 WT4 H ATOM 48801 H2 TIP3 2294 53.241 27.593 65.568 1.00 0.00 WT4 H ATOM 48802 OH2 TIP3 2296 59.735 74.922 32.105 1.00 0.00 WT4 O ATOM 48803 H1 TIP3 2296 58.981 75.208 31.589 1.00 0.00 WT4 H ATOM 48804 H2 TIP3 2296 59.368 74.318 32.751 1.00 0.00 WT4 H ATOM 48805 OH2 TIP3 2309 36.605 59.247 56.050 1.00 0.00 WT4 O ATOM 48806 H1 TIP3 2309 35.890 58.766 55.634 1.00 0.00 WT4 H ATOM 48807 H2 TIP3 2309 36.596 60.105 55.626 1.00 0.00 WT4 H ATOM 48808 OH2 TIP3 2311 59.935 1.668 -7.611 1.00 0.00 WT4 O ATOM 48809 H1 TIP3 2311 60.294 1.463 -6.748 1.00 0.00 WT4 H ATOM 48810 H2 TIP3 2311 59.168 1.101 -7.693 1.00 0.00 WT4 H ATOM 48811 OH2 TIP3 2312 29.574 39.944 -11.627 1.00 0.00 WT4 O ATOM 48812 H1 TIP3 2312 29.750 39.706 -12.537 1.00 0.00 WT4 H ATOM 48813 H2 TIP3 2312 29.254 39.136 -11.225 1.00 0.00 WT4 H ATOM 48814 OH2 TIP3 2313 34.593 95.882 48.991 1.00 0.00 WT4 O ATOM 48815 H1 TIP3 2313 34.562 96.638 48.403 1.00 0.00 WT4 H ATOM 48816 H2 TIP3 2313 33.721 95.849 49.384 1.00 0.00 WT4 H ATOM 48817 OH2 TIP3 2314 61.767 2.029 42.844 1.00 0.00 WT4 O ATOM 48818 H1 TIP3 2314 61.226 2.316 42.108 1.00 0.00 WT4 H ATOM 48819 H2 TIP3 2314 61.912 1.096 42.685 1.00 0.00 WT4 H ATOM 48820 OH2 TIP3 2315 78.879 28.491 29.815 1.00 0.00 WT4 O ATOM 48821 H1 TIP3 2315 78.492 27.668 30.111 1.00 0.00 WT4 H ATOM 48822 H2 TIP3 2315 79.454 28.758 30.532 1.00 0.00 WT4 H ATOM 48823 OH2 TIP3 2316 55.089 34.993 53.121 1.00 0.00 WT4 O ATOM 48824 H1 TIP3 2316 54.318 34.715 52.627 1.00 0.00 WT4 H ATOM 48825 H2 TIP3 2316 54.863 35.864 53.448 1.00 0.00 WT4 H ATOM 48826 OH2 TIP3 2317 79.184 56.453 52.620 1.00 0.00 WT4 O ATOM 48827 H1 TIP3 2317 80.063 56.110 52.458 1.00 0.00 WT4 H ATOM 48828 H2 TIP3 2317 79.155 57.277 52.133 1.00 0.00 WT4 H ATOM 48829 OH2 TIP3 2318 73.470 53.006 33.325 1.00 0.00 WT4 O ATOM 48830 H1 TIP3 2318 72.830 52.443 32.891 1.00 0.00 WT4 H ATOM 48831 H2 TIP3 2318 74.125 53.190 32.652 1.00 0.00 WT4 H ATOM 48832 OH2 TIP3 2319 88.465 2.627 -18.407 1.00 0.00 WT4 O ATOM 48833 H1 TIP3 2319 87.757 1.993 -18.293 1.00 0.00 WT4 H ATOM 48834 H2 TIP3 2319 88.994 2.269 -19.120 1.00 0.00 WT4 H ATOM 48835 OH2 TIP3 2329 46.002 41.767 9.330 1.00 0.00 WT4 O ATOM 48836 H1 TIP3 2329 46.151 41.121 10.020 1.00 0.00 WT4 H ATOM 48837 H2 TIP3 2329 46.247 42.603 9.727 1.00 0.00 WT4 H ATOM 48838 OH2 TIP3 2331 75.400 94.378 19.425 1.00 0.00 WT4 O ATOM 48839 H1 TIP3 2331 75.187 93.821 20.173 1.00 0.00 WT4 H ATOM 48840 H2 TIP3 2331 74.942 93.974 18.687 1.00 0.00 WT4 H ATOM 48841 OH2 TIP3 2332 59.607 22.369 19.904 1.00 0.00 WT4 O ATOM 48842 H1 TIP3 2332 59.178 23.170 19.603 1.00 0.00 WT4 H ATOM 48843 H2 TIP3 2332 58.952 21.683 19.776 1.00 0.00 WT4 H ATOM 48844 OH2 TIP3 2333 57.141 25.140 36.910 1.00 0.00 WT4 O ATOM 48845 H1 TIP3 2333 57.780 25.348 36.228 1.00 0.00 WT4 H ATOM 48846 H2 TIP3 2333 57.233 25.847 37.548 1.00 0.00 WT4 H ATOM 48847 OH2 TIP3 2335 67.823 63.590 2.401 1.00 0.00 WT4 O ATOM 48848 H1 TIP3 2335 68.470 64.295 2.359 1.00 0.00 WT4 H ATOM 48849 H2 TIP3 2335 66.983 64.039 2.485 1.00 0.00 WT4 H ATOM 48850 OH2 TIP3 2339 76.559 7.524 62.245 1.00 0.00 WT4 O ATOM 48851 H1 TIP3 2339 76.942 8.401 62.258 1.00 0.00 WT4 H ATOM 48852 H2 TIP3 2339 75.979 7.527 61.483 1.00 0.00 WT4 H ATOM 48853 OH2 TIP3 2351 86.466 63.359 -8.080 1.00 0.00 WT4 O ATOM 48854 H1 TIP3 2351 86.247 64.286 -7.979 1.00 0.00 WT4 H ATOM 48855 H2 TIP3 2351 87.421 63.343 -8.133 1.00 0.00 WT4 H ATOM 48856 OH2 TIP3 2352 59.972 81.547 49.524 1.00 0.00 WT4 O ATOM 48857 H1 TIP3 2352 59.048 81.797 49.526 1.00 0.00 WT4 H ATOM 48858 H2 TIP3 2352 60.081 81.037 48.721 1.00 0.00 WT4 H ATOM 48859 OH2 TIP3 2355 58.712 64.705 40.867 1.00 0.00 WT4 O ATOM 48860 H1 TIP3 2355 57.868 64.296 41.057 1.00 0.00 WT4 H ATOM 48861 H2 TIP3 2355 58.587 65.134 40.021 1.00 0.00 WT4 H ATOM 48862 OH2 TIP3 2357 46.883 42.942 -8.856 1.00 0.00 WT4 O ATOM 48863 H1 TIP3 2357 46.984 42.246 -9.506 1.00 0.00 WT4 H ATOM 48864 H2 TIP3 2357 46.621 42.486 -8.056 1.00 0.00 WT4 H ATOM 48865 OH2 TIP3 2358 40.701 93.649 0.736 1.00 0.00 WT4 O ATOM 48866 H1 TIP3 2358 40.857 93.745 1.675 1.00 0.00 WT4 H ATOM 48867 H2 TIP3 2358 41.169 92.850 0.495 1.00 0.00 WT4 H ATOM 48868 OH2 TIP3 2359 41.396 37.981 32.856 1.00 0.00 WT4 O ATOM 48869 H1 TIP3 2359 42.071 37.775 32.210 1.00 0.00 WT4 H ATOM 48870 H2 TIP3 2359 40.770 38.529 32.382 1.00 0.00 WT4 H ATOM 48871 OH2 TIP3 2376 88.762 18.546 -19.498 1.00 0.00 WT4 O ATOM 48872 H1 TIP3 2376 88.535 18.225 -20.370 1.00 0.00 WT4 H ATOM 48873 H2 TIP3 2376 88.414 19.437 -19.473 1.00 0.00 WT4 H ATOM 48874 OH2 TIP3 2377 62.159 2.716 24.231 1.00 0.00 WT4 O ATOM 48875 H1 TIP3 2377 62.506 2.974 25.085 1.00 0.00 WT4 H ATOM 48876 H2 TIP3 2377 61.938 1.790 24.332 1.00 0.00 WT4 H ATOM 48877 OH2 TIP3 2378 20.907 33.635 58.361 1.00 0.00 WT4 O ATOM 48878 H1 TIP3 2378 21.362 32.873 58.003 1.00 0.00 WT4 H ATOM 48879 H2 TIP3 2378 21.601 34.274 58.525 1.00 0.00 WT4 H ATOM 48880 OH2 TIP3 2380 65.286 79.017 44.033 1.00 0.00 WT4 O ATOM 48881 H1 TIP3 2380 65.675 78.441 44.690 1.00 0.00 WT4 H ATOM 48882 H2 TIP3 2380 66.034 79.398 43.574 1.00 0.00 WT4 H ATOM 48883 OH2 TIP3 2397 58.664 7.427 49.320 1.00 0.00 WT4 O ATOM 48884 H1 TIP3 2397 59.472 7.939 49.290 1.00 0.00 WT4 H ATOM 48885 H2 TIP3 2397 58.959 6.516 49.336 1.00 0.00 WT4 H ATOM 48886 OH2 TIP3 2398 63.156 3.082 -3.054 1.00 0.00 WT4 O ATOM 48887 H1 TIP3 2398 64.111 3.112 -2.984 1.00 0.00 WT4 H ATOM 48888 H2 TIP3 2398 62.866 2.710 -2.221 1.00 0.00 WT4 H ATOM 48889 OH2 TIP3 2418 63.997 17.350 -4.715 1.00 0.00 WT4 O ATOM 48890 H1 TIP3 2418 64.790 17.858 -4.885 1.00 0.00 WT4 H ATOM 48891 H2 TIP3 2418 63.529 17.349 -5.551 1.00 0.00 WT4 H ATOM 48892 OH2 TIP3 2436 76.665 7.086 3.051 1.00 0.00 WT4 O ATOM 48893 H1 TIP3 2436 76.055 6.964 3.779 1.00 0.00 WT4 H ATOM 48894 H2 TIP3 2436 77.401 7.566 3.431 1.00 0.00 WT4 H ATOM 48895 OH2 TIP3 2477 59.267 73.157 66.284 1.00 0.00 WT4 O ATOM 48896 H1 TIP3 2477 58.542 73.127 66.908 1.00 0.00 WT4 H ATOM 48897 H2 TIP3 2477 60.009 72.784 66.760 1.00 0.00 WT4 H ATOM 48898 OH2 TIP3 2508 36.236 61.013 16.037 1.00 0.00 WT4 O ATOM 48899 H1 TIP3 2508 36.939 61.063 15.389 1.00 0.00 WT4 H ATOM 48900 H2 TIP3 2508 36.656 61.248 16.864 1.00 0.00 WT4 H ATOM 48901 OH2 TIP3 2606 81.394 55.737 -5.751 1.00 0.00 WT4 O ATOM 48902 H1 TIP3 2606 81.212 56.162 -6.590 1.00 0.00 WT4 H ATOM 48903 H2 TIP3 2606 81.929 56.371 -5.273 1.00 0.00 WT4 H ATOM 48904 OH2 TIP3 2607 80.770 60.621 48.459 1.00 0.00 WT4 O ATOM 48905 H1 TIP3 2607 81.043 61.058 47.653 1.00 0.00 WT4 H ATOM 48906 H2 TIP3 2607 79.977 61.085 48.727 1.00 0.00 WT4 H ATOM 48907 OH2 TIP3 2608 26.216 60.422 46.550 1.00 0.00 WT4 O ATOM 48908 H1 TIP3 2608 26.317 59.703 47.174 1.00 0.00 WT4 H ATOM 48909 H2 TIP3 2608 25.485 60.936 46.891 1.00 0.00 WT4 H ATOM 48910 OH2 TIP3 2610 41.694 51.037 38.539 1.00 0.00 WT4 O ATOM 48911 H1 TIP3 2610 41.014 51.621 38.203 1.00 0.00 WT4 H ATOM 48912 H2 TIP3 2610 41.646 50.264 37.976 1.00 0.00 WT4 H ATOM 48913 OH2 TIP3 2624 42.531 5.030 61.928 1.00 0.00 WT4 O ATOM 48914 H1 TIP3 2624 43.019 4.323 62.350 1.00 0.00 WT4 H ATOM 48915 H2 TIP3 2624 43.163 5.438 61.337 1.00 0.00 WT4 H ATOM 48916 OH2 TIP3 2628 46.115 80.817 -3.825 1.00 0.00 WT4 O ATOM 48917 H1 TIP3 2628 45.298 80.318 -3.801 1.00 0.00 WT4 H ATOM 48918 H2 TIP3 2628 46.790 80.185 -3.580 1.00 0.00 WT4 H ATOM 48919 OH2 TIP3 2630 33.327 43.896 28.885 1.00 0.00 WT4 O ATOM 48920 H1 TIP3 2630 34.162 44.228 29.213 1.00 0.00 WT4 H ATOM 48921 H2 TIP3 2630 33.110 44.473 28.153 1.00 0.00 WT4 H ATOM 48922 OH2 TIP3 2632 30.078 33.136 -18.276 1.00 0.00 WT4 O ATOM 48923 H1 TIP3 2632 30.883 33.638 -18.151 1.00 0.00 WT4 H ATOM 48924 H2 TIP3 2632 30.232 32.632 -19.075 1.00 0.00 WT4 H ATOM 48925 OH2 TIP3 2634 39.862 67.764 36.386 1.00 0.00 WT4 O ATOM 48926 H1 TIP3 2634 40.185 66.914 36.685 1.00 0.00 WT4 H ATOM 48927 H2 TIP3 2634 40.545 68.088 35.800 1.00 0.00 WT4 H ATOM 48928 OH2 TIP3 2635 73.710 21.421 56.424 1.00 0.00 WT4 O ATOM 48929 H1 TIP3 2635 74.629 21.173 56.323 1.00 0.00 WT4 H ATOM 48930 H2 TIP3 2635 73.730 22.370 56.552 1.00 0.00 WT4 H ATOM 48931 OH2 TIP3 2649 31.240 76.066 -2.974 1.00 0.00 WT4 O ATOM 48932 H1 TIP3 2649 31.505 75.326 -2.426 1.00 0.00 WT4 H ATOM 48933 H2 TIP3 2649 30.512 75.729 -3.496 1.00 0.00 WT4 H ATOM 48934 OH2 TIP3 2650 49.992 13.641 47.548 1.00 0.00 WT4 O ATOM 48935 H1 TIP3 2650 50.159 14.081 46.714 1.00 0.00 WT4 H ATOM 48936 H2 TIP3 2650 49.587 12.809 47.303 1.00 0.00 WT4 H ATOM 48937 OH2 TIP3 2652 32.272 19.282 -12.245 1.00 0.00 WT4 O ATOM 48938 H1 TIP3 2652 33.135 19.695 -12.254 1.00 0.00 WT4 H ATOM 48939 H2 TIP3 2652 32.086 19.136 -11.317 1.00 0.00 WT4 H ATOM 48940 OH2 TIP3 2654 40.168 62.094 54.251 1.00 0.00 WT4 O ATOM 48941 H1 TIP3 2654 39.738 62.936 54.103 1.00 0.00 WT4 H ATOM 48942 H2 TIP3 2654 39.730 61.492 53.650 1.00 0.00 WT4 H ATOM 48943 OH2 TIP3 2667 72.260 45.978 -6.063 1.00 0.00 WT4 O ATOM 48944 H1 TIP3 2667 71.401 45.590 -5.894 1.00 0.00 WT4 H ATOM 48945 H2 TIP3 2667 72.852 45.230 -6.134 1.00 0.00 WT4 H ATOM 48946 OH2 TIP3 2669 23.963 96.204 -15.129 1.00 0.00 WT4 O ATOM 48947 H1 TIP3 2669 23.986 95.492 -15.769 1.00 0.00 WT4 H ATOM 48948 H2 TIP3 2669 23.351 95.904 -14.458 1.00 0.00 WT4 H ATOM 48949 OH2 TIP3 2670 67.733 79.575 42.536 1.00 0.00 WT4 O ATOM 48950 H1 TIP3 2670 68.210 79.325 41.745 1.00 0.00 WT4 H ATOM 48951 H2 TIP3 2670 68.416 79.812 43.163 1.00 0.00 WT4 H ATOM 48952 OH2 TIP3 2672 35.751 73.277 50.648 1.00 0.00 WT4 O ATOM 48953 H1 TIP3 2672 36.374 73.271 49.921 1.00 0.00 WT4 H ATOM 48954 H2 TIP3 2672 35.061 72.670 50.378 1.00 0.00 WT4 H ATOM 48955 OH2 TIP3 2673 50.215 7.900 28.120 1.00 0.00 WT4 O ATOM 48956 H1 TIP3 2673 49.533 7.302 27.816 1.00 0.00 WT4 H ATOM 48957 H2 TIP3 2673 49.972 8.749 27.750 1.00 0.00 WT4 H ATOM 48958 OH2 TIP3 2674 47.826 67.659 -2.769 1.00 0.00 WT4 O ATOM 48959 H1 TIP3 2674 48.464 67.329 -2.137 1.00 0.00 WT4 H ATOM 48960 H2 TIP3 2674 47.606 68.535 -2.453 1.00 0.00 WT4 H ATOM 48961 OH2 TIP3 2676 36.751 63.644 18.718 1.00 0.00 WT4 O ATOM 48962 H1 TIP3 2676 37.440 62.984 18.646 1.00 0.00 WT4 H ATOM 48963 H2 TIP3 2676 36.119 63.267 19.331 1.00 0.00 WT4 H ATOM 48964 OH2 TIP3 2690 52.836 35.899 0.708 1.00 0.00 WT4 O ATOM 48965 H1 TIP3 2690 52.832 35.012 1.067 1.00 0.00 WT4 H ATOM 48966 H2 TIP3 2690 52.027 36.294 1.034 1.00 0.00 WT4 H ATOM 48967 OH2 TIP3 2691 25.955 87.172 36.762 1.00 0.00 WT4 O ATOM 48968 H1 TIP3 2691 25.533 86.664 36.069 1.00 0.00 WT4 H ATOM 48969 H2 TIP3 2691 26.858 87.279 36.464 1.00 0.00 WT4 H ATOM 48970 OH2 TIP3 2692 88.609 86.686 38.340 1.00 0.00 WT4 O ATOM 48971 H1 TIP3 2692 87.926 86.367 38.929 1.00 0.00 WT4 H ATOM 48972 H2 TIP3 2692 88.135 86.988 37.565 1.00 0.00 WT4 H ATOM 48973 OH2 TIP3 2694 77.243 67.190 11.906 1.00 0.00 WT4 O ATOM 48974 H1 TIP3 2694 77.376 68.079 12.234 1.00 0.00 WT4 H ATOM 48975 H2 TIP3 2694 76.918 66.701 12.662 1.00 0.00 WT4 H ATOM 48976 OH2 TIP3 2695 26.367 25.192 20.003 1.00 0.00 WT4 O ATOM 48977 H1 TIP3 2695 25.774 24.440 19.987 1.00 0.00 WT4 H ATOM 48978 H2 TIP3 2695 26.729 25.194 20.889 1.00 0.00 WT4 H ATOM 48979 OH2 TIP3 2697 54.883 74.902 -12.233 1.00 0.00 WT4 O ATOM 48980 H1 TIP3 2697 55.744 74.732 -12.614 1.00 0.00 WT4 H ATOM 48981 H2 TIP3 2697 54.414 74.072 -12.320 1.00 0.00 WT4 H ATOM 48982 OH2 TIP3 2701 38.584 26.830 60.774 1.00 0.00 WT4 O ATOM 48983 H1 TIP3 2701 37.738 26.396 60.882 1.00 0.00 WT4 H ATOM 48984 H2 TIP3 2701 39.216 26.225 61.161 1.00 0.00 WT4 H ATOM 48985 OH2 TIP3 2709 55.996 87.449 -9.816 1.00 0.00 WT4 O ATOM 48986 H1 TIP3 2709 56.755 87.283 -10.376 1.00 0.00 WT4 H ATOM 48987 H2 TIP3 2709 55.779 86.593 -9.447 1.00 0.00 WT4 H ATOM 48988 OH2 TIP3 2710 63.741 2.883 2.823 1.00 0.00 WT4 O ATOM 48989 H1 TIP3 2710 63.889 2.262 3.536 1.00 0.00 WT4 H ATOM 48990 H2 TIP3 2710 62.881 2.646 2.474 1.00 0.00 WT4 H ATOM 48991 OH2 TIP3 2713 29.247 93.272 27.338 1.00 0.00 WT4 O ATOM 48992 H1 TIP3 2713 28.514 92.692 27.545 1.00 0.00 WT4 H ATOM 48993 H2 TIP3 2713 30.027 92.757 27.544 1.00 0.00 WT4 H ATOM 48994 OH2 TIP3 2714 83.485 58.784 12.568 1.00 0.00 WT4 O ATOM 48995 H1 TIP3 2714 84.440 58.860 12.580 1.00 0.00 WT4 H ATOM 48996 H2 TIP3 2714 83.249 58.874 11.645 1.00 0.00 WT4 H ATOM 48997 OH2 TIP3 2717 22.510 53.163 -8.243 1.00 0.00 WT4 O ATOM 48998 H1 TIP3 2717 22.083 53.481 -7.448 1.00 0.00 WT4 H ATOM 48999 H2 TIP3 2717 22.518 53.920 -8.830 1.00 0.00 WT4 H ATOM 49000 OH2 TIP3 2732 28.730 69.780 55.760 1.00 0.00 WT4 O ATOM 49001 H1 TIP3 2732 29.220 69.586 54.961 1.00 0.00 WT4 H ATOM 49002 H2 TIP3 2732 27.955 70.253 55.457 1.00 0.00 WT4 H ATOM 49003 OH2 TIP3 2734 87.296 79.213 15.421 1.00 0.00 WT4 O ATOM 49004 H1 TIP3 2734 87.948 79.053 16.104 1.00 0.00 WT4 H ATOM 49005 H2 TIP3 2734 86.458 79.015 15.838 1.00 0.00 WT4 H ATOM 49006 OH2 TIP3 2735 26.534 58.965 16.746 1.00 0.00 WT4 O ATOM 49007 H1 TIP3 2735 27.080 59.198 17.497 1.00 0.00 WT4 H ATOM 49008 H2 TIP3 2735 25.680 58.756 17.126 1.00 0.00 WT4 H ATOM 49009 OH2 TIP3 2736 88.990 59.662 13.995 1.00 0.00 WT4 O ATOM 49010 H1 TIP3 2736 89.455 58.841 14.155 1.00 0.00 WT4 H ATOM 49011 H2 TIP3 2736 89.188 60.203 14.759 1.00 0.00 WT4 H ATOM 49012 OH2 TIP3 2753 83.549 79.817 28.261 1.00 0.00 WT4 O ATOM 49013 H1 TIP3 2753 83.297 78.958 27.922 1.00 0.00 WT4 H ATOM 49014 H2 TIP3 2753 84.379 79.663 28.712 1.00 0.00 WT4 H ATOM 49015 OH2 TIP3 2754 90.447 59.610 52.459 1.00 0.00 WT4 O ATOM 49016 H1 TIP3 2754 89.751 59.001 52.213 1.00 0.00 WT4 H ATOM 49017 H2 TIP3 2754 90.199 60.438 52.048 1.00 0.00 WT4 H ATOM 49018 OH2 TIP3 2755 85.188 93.165 10.675 1.00 0.00 WT4 O ATOM 49019 H1 TIP3 2755 84.913 93.443 9.802 1.00 0.00 WT4 H ATOM 49020 H2 TIP3 2755 84.400 93.243 11.212 1.00 0.00 WT4 H ATOM 49021 OH2 TIP3 2757 27.450 11.724 61.393 1.00 0.00 WT4 O ATOM 49022 H1 TIP3 2757 28.001 12.040 62.108 1.00 0.00 WT4 H ATOM 49023 H2 TIP3 2757 27.237 12.509 60.889 1.00 0.00 WT4 H ATOM 49024 OH2 TIP3 2758 27.858 67.403 67.218 1.00 0.00 WT4 O ATOM 49025 H1 TIP3 2758 27.036 67.077 66.850 1.00 0.00 WT4 H ATOM 49026 H2 TIP3 2758 28.260 67.899 66.505 1.00 0.00 WT4 H ATOM 49027 OH2 TIP3 2771 70.040 88.261 41.619 1.00 0.00 WT4 O ATOM 49028 H1 TIP3 2771 70.371 88.440 40.738 1.00 0.00 WT4 H ATOM 49029 H2 TIP3 2771 69.615 87.407 41.546 1.00 0.00 WT4 H ATOM 49030 OH2 TIP3 2773 63.869 87.238 58.699 1.00 0.00 WT4 O ATOM 49031 H1 TIP3 2773 63.046 86.755 58.621 1.00 0.00 WT4 H ATOM 49032 H2 TIP3 2773 64.544 86.599 58.470 1.00 0.00 WT4 H ATOM 49033 OH2 TIP3 2774 57.599 27.492 61.157 1.00 0.00 WT4 O ATOM 49034 H1 TIP3 2774 57.081 27.420 61.959 1.00 0.00 WT4 H ATOM 49035 H2 TIP3 2774 58.422 27.891 61.438 1.00 0.00 WT4 H ATOM 49036 OH2 TIP3 2775 74.384 94.039 27.715 1.00 0.00 WT4 O ATOM 49037 H1 TIP3 2775 73.528 93.701 27.979 1.00 0.00 WT4 H ATOM 49038 H2 TIP3 2775 74.287 94.991 27.748 1.00 0.00 WT4 H ATOM 49039 OH2 TIP3 2776 60.448 9.740 49.311 1.00 0.00 WT4 O ATOM 49040 H1 TIP3 2776 59.909 9.742 50.102 1.00 0.00 WT4 H ATOM 49041 H2 TIP3 2776 60.262 10.581 48.892 1.00 0.00 WT4 H ATOM 49042 OH2 TIP3 2777 21.822 69.742 -3.905 1.00 0.00 WT4 O ATOM 49043 H1 TIP3 2777 21.865 68.985 -4.490 1.00 0.00 WT4 H ATOM 49044 H2 TIP3 2777 22.235 69.443 -3.095 1.00 0.00 WT4 H ATOM 49045 OH2 TIP3 2778 78.959 84.912 60.027 1.00 0.00 WT4 O ATOM 49046 H1 TIP3 2778 79.893 84.762 60.176 1.00 0.00 WT4 H ATOM 49047 H2 TIP3 2778 78.838 84.757 59.090 1.00 0.00 WT4 H ATOM 49048 OH2 TIP3 2793 71.356 69.386 63.064 1.00 0.00 WT4 O ATOM 49049 H1 TIP3 2793 71.674 69.813 62.268 1.00 0.00 WT4 H ATOM 49050 H2 TIP3 2793 70.442 69.176 62.876 1.00 0.00 WT4 H ATOM 49051 OH2 TIP3 2794 90.258 41.759 -18.952 1.00 0.00 WT4 O ATOM 49052 H1 TIP3 2794 90.869 41.391 -18.314 1.00 0.00 WT4 H ATOM 49053 H2 TIP3 2794 89.411 41.754 -18.506 1.00 0.00 WT4 H ATOM 49054 OH2 TIP3 2795 52.940 57.771 -1.662 1.00 0.00 WT4 O ATOM 49055 H1 TIP3 2795 52.657 57.857 -0.751 1.00 0.00 WT4 H ATOM 49056 H2 TIP3 2795 53.872 57.562 -1.605 1.00 0.00 WT4 H ATOM 49057 OH2 TIP3 2797 66.002 5.031 10.342 1.00 0.00 WT4 O ATOM 49058 H1 TIP3 2797 66.915 4.756 10.262 1.00 0.00 WT4 H ATOM 49059 H2 TIP3 2797 65.680 5.058 9.441 1.00 0.00 WT4 H ATOM 49060 OH2 TIP3 2815 39.679 32.133 4.580 1.00 0.00 WT4 O ATOM 49061 H1 TIP3 2815 40.343 32.783 4.350 1.00 0.00 WT4 H ATOM 49062 H2 TIP3 2815 40.103 31.578 5.234 1.00 0.00 WT4 H ATOM 49063 OH2 TIP3 2817 76.840 80.193 11.867 1.00 0.00 WT4 O ATOM 49064 H1 TIP3 2817 76.727 79.992 12.796 1.00 0.00 WT4 H ATOM 49065 H2 TIP3 2817 76.481 81.075 11.767 1.00 0.00 WT4 H ATOM 49066 OH2 TIP3 2818 88.604 25.223 31.885 1.00 0.00 WT4 O ATOM 49067 H1 TIP3 2818 89.313 25.254 31.243 1.00 0.00 WT4 H ATOM 49068 H2 TIP3 2818 88.239 26.107 31.883 1.00 0.00 WT4 H ATOM 49069 OH2 TIP3 2820 57.743 90.173 37.651 1.00 0.00 WT4 O ATOM 49070 H1 TIP3 2820 57.059 89.731 38.155 1.00 0.00 WT4 H ATOM 49071 H2 TIP3 2820 57.332 90.982 37.347 1.00 0.00 WT4 H ATOM 49072 OH2 TIP3 2821 26.667 16.887 61.604 1.00 0.00 WT4 O ATOM 49073 H1 TIP3 2821 26.954 17.789 61.461 1.00 0.00 WT4 H ATOM 49074 H2 TIP3 2821 25.822 16.831 61.157 1.00 0.00 WT4 H ATOM 49075 OH2 TIP3 2832 72.899 69.571 34.635 1.00 0.00 WT4 O ATOM 49076 H1 TIP3 2832 72.718 70.435 34.266 1.00 0.00 WT4 H ATOM 49077 H2 TIP3 2832 72.268 68.991 34.208 1.00 0.00 WT4 H ATOM 49078 OH2 TIP3 2842 86.702 14.589 -3.306 1.00 0.00 WT4 O ATOM 49079 H1 TIP3 2842 86.103 14.387 -2.587 1.00 0.00 WT4 H ATOM 49080 H2 TIP3 2842 87.460 14.991 -2.882 1.00 0.00 WT4 H ATOM 49081 OH2 TIP3 2843 53.701 30.030 -11.284 1.00 0.00 WT4 O ATOM 49082 H1 TIP3 2843 53.287 29.965 -12.145 1.00 0.00 WT4 H ATOM 49083 H2 TIP3 2843 52.977 30.200 -10.682 1.00 0.00 WT4 H ATOM 49084 OH2 TIP3 2857 27.300 48.979 54.831 1.00 0.00 WT4 O ATOM 49085 H1 TIP3 2857 26.679 49.601 54.450 1.00 0.00 WT4 H ATOM 49086 H2 TIP3 2857 27.595 49.399 55.639 1.00 0.00 WT4 H ATOM 49087 OH2 TIP3 2862 67.712 53.583 66.502 1.00 0.00 WT4 O ATOM 49088 H1 TIP3 2862 66.916 53.496 65.977 1.00 0.00 WT4 H ATOM 49089 H2 TIP3 2862 67.840 54.528 66.589 1.00 0.00 WT4 H ATOM 49090 OH2 TIP3 2877 26.973 95.043 61.384 1.00 0.00 WT4 O ATOM 49091 H1 TIP3 2877 26.860 95.671 62.097 1.00 0.00 WT4 H ATOM 49092 H2 TIP3 2877 26.558 95.459 60.629 1.00 0.00 WT4 H ATOM 49093 OH2 TIP3 2878 62.084 89.023 56.982 1.00 0.00 WT4 O ATOM 49094 H1 TIP3 2878 61.694 88.466 56.308 1.00 0.00 WT4 H ATOM 49095 H2 TIP3 2878 62.434 88.409 57.628 1.00 0.00 WT4 H ATOM 49096 OH2 TIP3 2944 33.370 35.297 -18.692 1.00 0.00 WT4 O ATOM 49097 H1 TIP3 2944 32.815 34.916 -18.011 1.00 0.00 WT4 H ATOM 49098 H2 TIP3 2944 33.777 36.055 -18.273 1.00 0.00 WT4 H ATOM 49099 OH2 TIP3 3010 36.213 72.517 66.275 1.00 0.00 WT4 O ATOM 49100 H1 TIP3 3010 36.073 71.929 65.532 1.00 0.00 WT4 H ATOM 49101 H2 TIP3 3010 35.390 72.486 66.763 1.00 0.00 WT4 H ATOM 49102 OH2 TIP3 3012 43.324 67.291 -5.535 1.00 0.00 WT4 O ATOM 49103 H1 TIP3 3012 43.533 66.407 -5.836 1.00 0.00 WT4 H ATOM 49104 H2 TIP3 3012 42.675 67.163 -4.843 1.00 0.00 WT4 H ATOM 49105 OH2 TIP3 3027 71.704 81.452 16.188 1.00 0.00 WT4 O ATOM 49106 H1 TIP3 3027 71.120 81.783 16.870 1.00 0.00 WT4 H ATOM 49107 H2 TIP3 3027 71.193 80.776 15.742 1.00 0.00 WT4 H ATOM 49108 OH2 TIP3 3046 60.467 93.043 51.929 1.00 0.00 WT4 O ATOM 49109 H1 TIP3 3046 61.033 92.327 52.218 1.00 0.00 WT4 H ATOM 49110 H2 TIP3 3046 60.374 92.910 50.985 1.00 0.00 WT4 H ATOM 49111 OH2 TIP3 3049 67.831 87.191 -11.997 1.00 0.00 WT4 O ATOM 49112 H1 TIP3 3049 67.017 87.408 -11.543 1.00 0.00 WT4 H ATOM 49113 H2 TIP3 3049 67.558 86.981 -12.891 1.00 0.00 WT4 H ATOM 49114 OH2 TIP3 3050 51.262 57.247 -17.689 1.00 0.00 WT4 O ATOM 49115 H1 TIP3 3050 50.951 56.387 -17.408 1.00 0.00 WT4 H ATOM 49116 H2 TIP3 3050 50.680 57.490 -18.409 1.00 0.00 WT4 H ATOM 49117 OH2 TIP3 3070 53.869 0.589 55.181 1.00 0.00 WT4 O ATOM 49118 H1 TIP3 3070 53.149 0.000 55.408 1.00 0.00 WT4 H ATOM 49119 H2 TIP3 3070 53.604 0.983 54.349 1.00 0.00 WT4 H ATOM 49120 OH2 TIP3 3072 61.261 7.588 66.422 1.00 0.00 WT4 O ATOM 49121 H1 TIP3 3072 60.855 8.041 65.684 1.00 0.00 WT4 H ATOM 49122 H2 TIP3 3072 61.817 8.249 66.833 1.00 0.00 WT4 H ATOM 49123 OH2 TIP3 3073 47.324 26.994 39.337 1.00 0.00 WT4 O ATOM 49124 H1 TIP3 3073 46.710 26.368 39.720 1.00 0.00 WT4 H ATOM 49125 H2 TIP3 3073 46.914 27.848 39.475 1.00 0.00 WT4 H ATOM 49126 OH2 TIP3 3092 64.582 77.006 48.143 1.00 0.00 WT4 O ATOM 49127 H1 TIP3 3092 64.887 76.269 47.612 1.00 0.00 WT4 H ATOM 49128 H2 TIP3 3092 63.668 77.125 47.884 1.00 0.00 WT4 H ATOM 49129 OH2 TIP3 3095 62.700 90.247 3.522 1.00 0.00 WT4 O ATOM 49130 H1 TIP3 3095 62.352 90.138 4.406 1.00 0.00 WT4 H ATOM 49131 H2 TIP3 3095 61.956 90.559 3.007 1.00 0.00 WT4 H ATOM 49132 OH2 TIP3 3097 25.778 51.422 48.121 1.00 0.00 WT4 O ATOM 49133 H1 TIP3 3097 26.075 52.173 47.607 1.00 0.00 WT4 H ATOM 49134 H2 TIP3 3097 24.952 51.709 48.511 1.00 0.00 WT4 H ATOM 49135 OH2 TIP3 3108 35.012 28.808 14.367 1.00 0.00 WT4 O ATOM 49136 H1 TIP3 3108 34.674 28.501 15.208 1.00 0.00 WT4 H ATOM 49137 H2 TIP3 3108 34.302 29.337 14.002 1.00 0.00 WT4 H ATOM 49138 OH2 TIP3 3109 32.362 55.018 49.280 1.00 0.00 WT4 O ATOM 49139 H1 TIP3 3109 31.834 54.820 50.053 1.00 0.00 WT4 H ATOM 49140 H2 TIP3 3109 31.998 55.837 48.944 1.00 0.00 WT4 H ATOM 49141 OH2 TIP3 3111 26.331 35.365 -17.831 1.00 0.00 WT4 O ATOM 49142 H1 TIP3 3111 27.051 35.210 -17.219 1.00 0.00 WT4 H ATOM 49143 H2 TIP3 3111 25.699 34.671 -17.640 1.00 0.00 WT4 H ATOM 49144 OH2 TIP3 3112 48.514 16.324 64.859 1.00 0.00 WT4 O ATOM 49145 H1 TIP3 3112 49.370 16.182 64.456 1.00 0.00 WT4 H ATOM 49146 H2 TIP3 3112 48.172 15.443 65.012 1.00 0.00 WT4 H ATOM 49147 OH2 TIP3 3114 31.181 17.545 22.243 1.00 0.00 WT4 O ATOM 49148 H1 TIP3 3114 30.491 17.946 21.715 1.00 0.00 WT4 H ATOM 49149 H2 TIP3 3114 31.838 18.234 22.343 1.00 0.00 WT4 H ATOM 49150 OH2 TIP3 3115 43.773 63.961 64.082 1.00 0.00 WT4 O ATOM 49151 H1 TIP3 3115 43.728 63.011 63.981 1.00 0.00 WT4 H ATOM 49152 H2 TIP3 3115 44.292 64.258 63.335 1.00 0.00 WT4 H ATOM 49153 OH2 TIP3 3116 62.734 5.445 51.171 1.00 0.00 WT4 O ATOM 49154 H1 TIP3 3116 63.464 5.535 51.784 1.00 0.00 WT4 H ATOM 49155 H2 TIP3 3116 62.152 6.174 51.381 1.00 0.00 WT4 H ATOM 49156 OH2 TIP3 3133 64.059 46.586 13.152 1.00 0.00 WT4 O ATOM 49157 H1 TIP3 3133 63.481 47.344 13.239 1.00 0.00 WT4 H ATOM 49158 H2 TIP3 3133 64.027 46.161 14.009 1.00 0.00 WT4 H ATOM 49159 OH2 TIP3 3134 46.039 91.041 66.354 1.00 0.00 WT4 O ATOM 49160 H1 TIP3 3134 46.144 90.417 65.636 1.00 0.00 WT4 H ATOM 49161 H2 TIP3 3134 46.657 91.744 66.153 1.00 0.00 WT4 H ATOM 49162 OH2 TIP3 3140 84.862 48.903 56.973 1.00 0.00 WT4 O ATOM 49163 H1 TIP3 3140 84.446 48.102 57.292 1.00 0.00 WT4 H ATOM 49164 H2 TIP3 3140 84.808 49.512 57.709 1.00 0.00 WT4 H ATOM 49165 OH2 TIP3 3150 40.938 86.582 -10.515 1.00 0.00 WT4 O ATOM 49166 H1 TIP3 3150 40.988 86.275 -9.610 1.00 0.00 WT4 H ATOM 49167 H2 TIP3 3150 40.006 86.738 -10.665 1.00 0.00 WT4 H ATOM 49168 OH2 TIP3 3151 43.455 44.689 64.538 1.00 0.00 WT4 O ATOM 49169 H1 TIP3 3151 44.218 45.000 65.026 1.00 0.00 WT4 H ATOM 49170 H2 TIP3 3151 43.525 45.118 63.685 1.00 0.00 WT4 H ATOM 49171 OH2 TIP3 3152 65.019 75.364 36.405 1.00 0.00 WT4 O ATOM 49172 H1 TIP3 3152 64.405 75.896 35.898 1.00 0.00 WT4 H ATOM 49173 H2 TIP3 3152 64.579 74.520 36.504 1.00 0.00 WT4 H ATOM 49174 OH2 TIP3 3154 67.295 82.035 0.112 1.00 0.00 WT4 O ATOM 49175 H1 TIP3 3154 67.312 81.234 -0.411 1.00 0.00 WT4 H ATOM 49176 H2 TIP3 3154 68.119 82.474 -0.095 1.00 0.00 WT4 H ATOM 49177 OH2 TIP3 3157 59.399 92.596 -20.054 1.00 0.00 WT4 O ATOM 49178 H1 TIP3 3157 59.004 92.019 -19.400 1.00 0.00 WT4 H ATOM 49179 H2 TIP3 3157 58.985 93.446 -19.907 1.00 0.00 WT4 H ATOM 49180 OH2 TIP3 3173 89.003 88.361 32.329 1.00 0.00 WT4 O ATOM 49181 H1 TIP3 3173 88.933 88.643 31.416 1.00 0.00 WT4 H ATOM 49182 H2 TIP3 3173 89.829 87.879 32.368 1.00 0.00 WT4 H ATOM 49183 OH2 TIP3 3174 74.717 59.474 -19.346 1.00 0.00 WT4 O ATOM 49184 H1 TIP3 3174 75.132 59.052 -18.593 1.00 0.00 WT4 H ATOM 49185 H2 TIP3 3174 73.876 59.026 -19.438 1.00 0.00 WT4 H ATOM 49186 OH2 TIP3 3176 62.974 61.773 46.638 1.00 0.00 WT4 O ATOM 49187 H1 TIP3 3176 62.997 62.478 45.991 1.00 0.00 WT4 H ATOM 49188 H2 TIP3 3176 63.447 61.051 46.223 1.00 0.00 WT4 H ATOM 49189 OH2 TIP3 3177 58.510 8.577 -3.681 1.00 0.00 WT4 O ATOM 49190 H1 TIP3 3177 58.723 7.646 -3.757 1.00 0.00 WT4 H ATOM 49191 H2 TIP3 3177 59.262 8.959 -3.229 1.00 0.00 WT4 H ATOM 49192 OH2 TIP3 3179 54.435 94.637 53.074 1.00 0.00 WT4 O ATOM 49193 H1 TIP3 3179 54.408 93.684 53.162 1.00 0.00 WT4 H ATOM 49194 H2 TIP3 3179 53.833 94.957 53.746 1.00 0.00 WT4 H ATOM 49195 OH2 TIP3 3180 84.114 72.626 60.485 1.00 0.00 WT4 O ATOM 49196 H1 TIP3 3180 84.053 72.058 59.717 1.00 0.00 WT4 H ATOM 49197 H2 TIP3 3180 84.003 72.035 61.230 1.00 0.00 WT4 H ATOM 49198 OH2 TIP3 3187 43.699 18.755 57.617 1.00 0.00 WT4 O ATOM 49199 H1 TIP3 3187 43.887 17.942 58.085 1.00 0.00 WT4 H ATOM 49200 H2 TIP3 3187 44.361 19.371 57.931 1.00 0.00 WT4 H ATOM 49201 OH2 TIP3 3192 64.663 57.621 46.881 1.00 0.00 WT4 O ATOM 49202 H1 TIP3 3192 64.379 57.216 47.700 1.00 0.00 WT4 H ATOM 49203 H2 TIP3 3192 65.616 57.669 46.955 1.00 0.00 WT4 H ATOM 49204 OH2 TIP3 3193 32.780 59.260 24.273 1.00 0.00 WT4 O ATOM 49205 H1 TIP3 3193 33.292 58.638 23.756 1.00 0.00 WT4 H ATOM 49206 H2 TIP3 3193 32.951 59.015 25.182 1.00 0.00 WT4 H ATOM 49207 OH2 TIP3 3195 45.167 86.235 30.857 1.00 0.00 WT4 O ATOM 49208 H1 TIP3 3195 45.397 86.297 29.929 1.00 0.00 WT4 H ATOM 49209 H2 TIP3 3195 44.294 86.622 30.914 1.00 0.00 WT4 H ATOM 49210 OH2 TIP3 3196 67.235 4.318 -18.479 1.00 0.00 WT4 O ATOM 49211 H1 TIP3 3196 67.948 3.826 -18.072 1.00 0.00 WT4 H ATOM 49212 H2 TIP3 3196 66.753 4.695 -17.742 1.00 0.00 WT4 H ATOM 49213 OH2 TIP3 3198 68.285 6.339 -13.084 1.00 0.00 WT4 O ATOM 49214 H1 TIP3 3198 68.169 7.221 -12.731 1.00 0.00 WT4 H ATOM 49215 H2 TIP3 3198 68.069 6.421 -14.013 1.00 0.00 WT4 H ATOM 49216 OH2 TIP3 3200 83.494 50.876 31.995 1.00 0.00 WT4 O ATOM 49217 H1 TIP3 3200 82.751 51.302 32.422 1.00 0.00 WT4 H ATOM 49218 H2 TIP3 3200 83.678 51.424 31.231 1.00 0.00 WT4 H ATOM 49219 OH2 TIP3 3202 38.520 74.703 3.123 1.00 0.00 WT4 O ATOM 49220 H1 TIP3 3202 37.610 74.539 3.371 1.00 0.00 WT4 H ATOM 49221 H2 TIP3 3202 38.994 73.927 3.423 1.00 0.00 WT4 H ATOM 49222 OH2 TIP3 3214 83.723 75.453 1.033 1.00 0.00 WT4 O ATOM 49223 H1 TIP3 3214 83.035 74.945 0.603 1.00 0.00 WT4 H ATOM 49224 H2 TIP3 3214 84.235 75.822 0.313 1.00 0.00 WT4 H ATOM 49225 OH2 TIP3 3215 78.739 96.095 13.014 1.00 0.00 WT4 O ATOM 49226 H1 TIP3 3215 78.293 95.504 12.407 1.00 0.00 WT4 H ATOM 49227 H2 TIP3 3215 79.193 96.721 12.451 1.00 0.00 WT4 H ATOM 49228 OH2 TIP3 3218 70.373 32.049 -0.775 1.00 0.00 WT4 O ATOM 49229 H1 TIP3 3218 70.305 32.910 -0.362 1.00 0.00 WT4 H ATOM 49230 H2 TIP3 3218 70.352 32.231 -1.714 1.00 0.00 WT4 H ATOM 49231 OH2 TIP3 3233 51.898 46.151 -10.181 1.00 0.00 WT4 O ATOM 49232 H1 TIP3 3233 51.380 46.931 -9.983 1.00 0.00 WT4 H ATOM 49233 H2 TIP3 3233 52.768 46.346 -9.833 1.00 0.00 WT4 H ATOM 49234 OH2 TIP3 3234 58.690 88.204 44.151 1.00 0.00 WT4 O ATOM 49235 H1 TIP3 3234 57.803 88.147 43.797 1.00 0.00 WT4 H ATOM 49236 H2 TIP3 3234 59.213 87.644 43.577 1.00 0.00 WT4 H ATOM 49237 OH2 TIP3 3236 35.830 12.785 -8.406 1.00 0.00 WT4 O ATOM 49238 H1 TIP3 3236 35.260 13.519 -8.177 1.00 0.00 WT4 H ATOM 49239 H2 TIP3 3236 35.365 12.012 -8.086 1.00 0.00 WT4 H ATOM 49240 OH2 TIP3 3237 35.631 88.084 43.097 1.00 0.00 WT4 O ATOM 49241 H1 TIP3 3237 34.898 88.438 43.601 1.00 0.00 WT4 H ATOM 49242 H2 TIP3 3237 35.457 88.358 42.197 1.00 0.00 WT4 H ATOM 49243 OH2 TIP3 3238 70.008 18.232 4.795 1.00 0.00 WT4 O ATOM 49244 H1 TIP3 3238 70.606 18.032 4.075 1.00 0.00 WT4 H ATOM 49245 H2 TIP3 3238 70.208 19.139 5.028 1.00 0.00 WT4 H ATOM 49246 OH2 TIP3 3240 39.969 16.247 64.713 1.00 0.00 WT4 O ATOM 49247 H1 TIP3 3240 39.055 15.976 64.624 1.00 0.00 WT4 H ATOM 49248 H2 TIP3 3240 40.040 16.559 65.615 1.00 0.00 WT4 H ATOM 49249 OH2 TIP3 3242 44.384 2.800 3.342 1.00 0.00 WT4 O ATOM 49250 H1 TIP3 3242 44.119 3.261 4.138 1.00 0.00 WT4 H ATOM 49251 H2 TIP3 3242 43.561 2.589 2.902 1.00 0.00 WT4 H ATOM 49252 OH2 TIP3 3244 60.610 85.779 43.015 1.00 0.00 WT4 O ATOM 49253 H1 TIP3 3244 60.686 84.870 43.304 1.00 0.00 WT4 H ATOM 49254 H2 TIP3 3244 61.503 86.032 42.779 1.00 0.00 WT4 H ATOM 49255 OH2 TIP3 3257 52.242 81.356 63.537 1.00 0.00 WT4 O ATOM 49256 H1 TIP3 3257 52.933 81.648 62.943 1.00 0.00 WT4 H ATOM 49257 H2 TIP3 3257 52.709 80.968 64.277 1.00 0.00 WT4 H ATOM 49258 OH2 TIP3 3258 76.289 89.858 43.470 1.00 0.00 WT4 O ATOM 49259 H1 TIP3 3258 76.137 88.923 43.337 1.00 0.00 WT4 H ATOM 49260 H2 TIP3 3258 75.873 90.052 44.310 1.00 0.00 WT4 H ATOM 49261 OH2 TIP3 3262 63.216 51.415 -8.431 1.00 0.00 WT4 O ATOM 49262 H1 TIP3 3262 63.631 51.062 -7.644 1.00 0.00 WT4 H ATOM 49263 H2 TIP3 3262 63.058 52.336 -8.226 1.00 0.00 WT4 H ATOM 49264 OH2 TIP3 3274 87.111 0.538 66.367 1.00 0.00 WT4 O ATOM 49265 H1 TIP3 3274 86.216 0.496 66.703 1.00 0.00 WT4 H ATOM 49266 H2 TIP3 3274 87.326 1.470 66.371 1.00 0.00 WT4 H ATOM 49267 OH2 TIP3 3275 34.622 12.690 32.594 1.00 0.00 WT4 O ATOM 49268 H1 TIP3 3275 33.794 13.059 32.903 1.00 0.00 WT4 H ATOM 49269 H2 TIP3 3275 35.216 13.438 32.546 1.00 0.00 WT4 H ATOM 49270 OH2 TIP3 3280 42.055 28.719 40.757 1.00 0.00 WT4 O ATOM 49271 H1 TIP3 3280 42.311 29.572 41.107 1.00 0.00 WT4 H ATOM 49272 H2 TIP3 3280 41.099 28.718 40.802 1.00 0.00 WT4 H ATOM 49273 OH2 TIP3 3282 24.929 77.025 48.544 1.00 0.00 WT4 O ATOM 49274 H1 TIP3 3282 24.184 76.494 48.262 1.00 0.00 WT4 H ATOM 49275 H2 TIP3 3282 25.561 76.950 47.829 1.00 0.00 WT4 H ATOM 49276 OH2 TIP3 3296 70.705 87.854 15.330 1.00 0.00 WT4 O ATOM 49277 H1 TIP3 3296 70.543 87.328 16.113 1.00 0.00 WT4 H ATOM 49278 H2 TIP3 3296 70.005 87.608 14.726 1.00 0.00 WT4 H ATOM 49279 OH2 TIP3 3301 38.759 88.610 11.526 1.00 0.00 WT4 O ATOM 49280 H1 TIP3 3301 38.029 88.163 11.955 1.00 0.00 WT4 H ATOM 49281 H2 TIP3 3301 39.516 88.049 11.695 1.00 0.00 WT4 H ATOM 49282 OH2 TIP3 3302 67.480 27.120 -1.398 1.00 0.00 WT4 O ATOM 49283 H1 TIP3 3302 67.802 27.841 -0.856 1.00 0.00 WT4 H ATOM 49284 H2 TIP3 3302 67.048 27.548 -2.136 1.00 0.00 WT4 H ATOM 49285 OH2 TIP3 3303 44.171 87.205 -14.747 1.00 0.00 WT4 O ATOM 49286 H1 TIP3 3303 43.812 86.427 -15.173 1.00 0.00 WT4 H ATOM 49287 H2 TIP3 3303 45.030 87.325 -15.151 1.00 0.00 WT4 H ATOM 49288 OH2 TIP3 3304 84.716 90.340 21.511 1.00 0.00 WT4 O ATOM 49289 H1 TIP3 3304 85.242 89.768 20.952 1.00 0.00 WT4 H ATOM 49290 H2 TIP3 3304 83.826 89.996 21.436 1.00 0.00 WT4 H ATOM 49291 OH2 TIP3 3317 79.073 52.699 38.884 1.00 0.00 WT4 O ATOM 49292 H1 TIP3 3317 79.139 53.125 38.030 1.00 0.00 WT4 H ATOM 49293 H2 TIP3 3317 79.631 53.223 39.458 1.00 0.00 WT4 H ATOM 49294 OH2 TIP3 3347 60.033 75.775 1.519 1.00 0.00 WT4 O ATOM 49295 H1 TIP3 3347 59.503 75.486 0.776 1.00 0.00 WT4 H ATOM 49296 H2 TIP3 3347 59.693 75.278 2.264 1.00 0.00 WT4 H ATOM 49297 OH2 TIP3 3348 76.404 64.682 45.471 1.00 0.00 WT4 O ATOM 49298 H1 TIP3 3348 75.916 63.948 45.097 1.00 0.00 WT4 H ATOM 49299 H2 TIP3 3348 75.757 65.159 45.991 1.00 0.00 WT4 H ATOM 49300 OH2 TIP3 3367 36.661 58.293 62.959 1.00 0.00 WT4 O ATOM 49301 H1 TIP3 3367 36.699 57.667 62.235 1.00 0.00 WT4 H ATOM 49302 H2 TIP3 3367 35.973 57.956 63.532 1.00 0.00 WT4 H ATOM 49303 OH2 TIP3 3382 78.669 89.289 -18.486 1.00 0.00 WT4 O ATOM 49304 H1 TIP3 3382 79.077 89.526 -17.653 1.00 0.00 WT4 H ATOM 49305 H2 TIP3 3382 78.559 90.122 -18.945 1.00 0.00 WT4 H ATOM 49306 OH2 TIP3 3408 25.589 95.680 19.314 1.00 0.00 WT4 O ATOM 49307 H1 TIP3 3408 24.847 95.107 19.504 1.00 0.00 WT4 H ATOM 49308 H2 TIP3 3408 26.285 95.372 19.895 1.00 0.00 WT4 H ATOM 49309 OH2 TIP3 3426 42.894 61.970 -8.321 1.00 0.00 WT4 O ATOM 49310 H1 TIP3 3426 42.080 62.357 -7.998 1.00 0.00 WT4 H ATOM 49311 H2 TIP3 3426 43.157 61.356 -7.635 1.00 0.00 WT4 H ATOM 49312 OH2 TIP3 3442 27.931 69.846 63.520 1.00 0.00 WT4 O ATOM 49313 H1 TIP3 3442 27.971 68.903 63.359 1.00 0.00 WT4 H ATOM 49314 H2 TIP3 3442 28.117 70.243 62.670 1.00 0.00 WT4 H ATOM 49315 OH2 TIP3 3447 59.096 76.109 -13.984 1.00 0.00 WT4 O ATOM 49316 H1 TIP3 3447 59.382 75.430 -13.372 1.00 0.00 WT4 H ATOM 49317 H2 TIP3 3447 59.833 76.717 -14.029 1.00 0.00 WT4 H ATOM 49318 OH2 TIP3 3484 74.506 83.239 -2.590 1.00 0.00 WT4 O ATOM 49319 H1 TIP3 3484 74.042 82.453 -2.881 1.00 0.00 WT4 H ATOM 49320 H2 TIP3 3484 74.101 83.953 -3.083 1.00 0.00 WT4 H ATOM 49321 OH2 TIP3 3511 65.408 5.941 -16.467 1.00 0.00 WT4 O ATOM 49322 H1 TIP3 3511 65.411 6.856 -16.184 1.00 0.00 WT4 H ATOM 49323 H2 TIP3 3511 64.519 5.636 -16.281 1.00 0.00 WT4 H ATOM 49324 OH2 TIP3 3513 51.742 4.369 47.885 1.00 0.00 WT4 O ATOM 49325 H1 TIP3 3513 52.127 3.568 47.528 1.00 0.00 WT4 H ATOM 49326 H2 TIP3 3513 51.344 4.801 47.129 1.00 0.00 WT4 H ATOM 49327 OH2 TIP3 3514 79.490 65.628 41.348 1.00 0.00 WT4 O ATOM 49328 H1 TIP3 3514 78.603 65.273 41.409 1.00 0.00 WT4 H ATOM 49329 H2 TIP3 3514 79.370 66.577 41.361 1.00 0.00 WT4 H ATOM 49330 OH2 TIP3 3526 25.653 54.785 -3.905 1.00 0.00 WT4 O ATOM 49331 H1 TIP3 3526 25.961 54.089 -3.324 1.00 0.00 WT4 H ATOM 49332 H2 TIP3 3526 24.754 54.537 -4.120 1.00 0.00 WT4 H ATOM 49333 OH2 TIP3 3527 42.958 69.718 -18.568 1.00 0.00 WT4 O ATOM 49334 H1 TIP3 3527 43.112 70.044 -17.682 1.00 0.00 WT4 H ATOM 49335 H2 TIP3 3527 42.576 68.849 -18.442 1.00 0.00 WT4 H ATOM 49336 OH2 TIP3 3533 43.094 2.550 34.026 1.00 0.00 WT4 O ATOM 49337 H1 TIP3 3533 43.551 2.744 33.208 1.00 0.00 WT4 H ATOM 49338 H2 TIP3 3533 43.401 1.677 34.270 1.00 0.00 WT4 H ATOM 49339 OH2 TIP3 3534 76.998 50.822 42.510 1.00 0.00 WT4 O ATOM 49340 H1 TIP3 3534 76.059 51.000 42.462 1.00 0.00 WT4 H ATOM 49341 H2 TIP3 3534 77.245 50.589 41.615 1.00 0.00 WT4 H ATOM 49342 OH2 TIP3 3545 21.661 59.627 66.992 1.00 0.00 WT4 O ATOM 49343 H1 TIP3 3545 20.998 59.772 67.667 1.00 0.00 WT4 H ATOM 49344 H2 TIP3 3545 21.167 59.599 66.173 1.00 0.00 WT4 H ATOM 49345 OH2 TIP3 3548 57.529 71.255 49.566 1.00 0.00 WT4 O ATOM 49346 H1 TIP3 3548 58.275 70.825 49.149 1.00 0.00 WT4 H ATOM 49347 H2 TIP3 3548 57.163 70.590 50.148 1.00 0.00 WT4 H ATOM 49348 OH2 TIP3 3554 62.100 50.912 34.087 1.00 0.00 WT4 O ATOM 49349 H1 TIP3 3554 61.487 51.623 33.898 1.00 0.00 WT4 H ATOM 49350 H2 TIP3 3554 62.512 50.721 33.244 1.00 0.00 WT4 H ATOM 49351 OH2 TIP3 3555 84.479 9.209 -8.371 1.00 0.00 WT4 O ATOM 49352 H1 TIP3 3555 84.944 10.034 -8.230 1.00 0.00 WT4 H ATOM 49353 H2 TIP3 3555 83.763 9.436 -8.964 1.00 0.00 WT4 H ATOM 49354 OH2 TIP3 3569 60.982 85.231 11.841 1.00 0.00 WT4 O ATOM 49355 H1 TIP3 3569 60.063 85.381 12.059 1.00 0.00 WT4 H ATOM 49356 H2 TIP3 3569 61.133 84.311 12.057 1.00 0.00 WT4 H ATOM 49357 OH2 TIP3 3573 43.320 60.731 53.142 1.00 0.00 WT4 O ATOM 49358 H1 TIP3 3573 43.750 60.457 52.332 1.00 0.00 WT4 H ATOM 49359 H2 TIP3 3573 42.391 60.558 52.992 1.00 0.00 WT4 H ATOM 49360 OH2 TIP3 3575 81.508 58.576 -19.140 1.00 0.00 WT4 O ATOM 49361 H1 TIP3 3575 81.035 59.109 -18.501 1.00 0.00 WT4 H ATOM 49362 H2 TIP3 3575 82.432 58.712 -18.928 1.00 0.00 WT4 H ATOM 49363 OH2 TIP3 3593 31.755 83.740 -16.157 1.00 0.00 WT4 O ATOM 49364 H1 TIP3 3593 32.685 83.544 -16.039 1.00 0.00 WT4 H ATOM 49365 H2 TIP3 3593 31.741 84.616 -16.541 1.00 0.00 WT4 H ATOM 49366 OH2 TIP3 3595 36.423 64.559 6.676 1.00 0.00 WT4 O ATOM 49367 H1 TIP3 3595 37.207 64.417 6.145 1.00 0.00 WT4 H ATOM 49368 H2 TIP3 3595 36.503 63.935 7.396 1.00 0.00 WT4 H ATOM 49369 OH2 TIP3 3596 42.260 26.362 61.071 1.00 0.00 WT4 O ATOM 49370 H1 TIP3 3596 42.399 27.295 61.232 1.00 0.00 WT4 H ATOM 49371 H2 TIP3 3596 41.439 26.160 61.519 1.00 0.00 WT4 H ATOM 49372 OH2 TIP3 3597 48.211 2.904 -12.911 1.00 0.00 WT4 O ATOM 49373 H1 TIP3 3597 47.793 2.060 -13.080 1.00 0.00 WT4 H ATOM 49374 H2 TIP3 3597 47.729 3.524 -13.458 1.00 0.00 WT4 H ATOM 49375 OH2 TIP3 3599 90.165 72.773 -12.627 1.00 0.00 WT4 O ATOM 49376 H1 TIP3 3599 89.650 73.014 -11.857 1.00 0.00 WT4 H ATOM 49377 H2 TIP3 3599 91.064 72.707 -12.304 1.00 0.00 WT4 H ATOM 49378 OH2 TIP3 3614 71.528 2.876 -19.586 1.00 0.00 WT4 O ATOM 49379 H1 TIP3 3614 71.899 2.598 -18.748 1.00 0.00 WT4 H ATOM 49380 H2 TIP3 3614 71.139 2.082 -19.951 1.00 0.00 WT4 H ATOM 49381 OH2 TIP3 3615 29.408 11.081 58.368 1.00 0.00 WT4 O ATOM 49382 H1 TIP3 3615 29.379 11.866 58.914 1.00 0.00 WT4 H ATOM 49383 H2 TIP3 3615 29.667 11.400 57.503 1.00 0.00 WT4 H ATOM 49384 OH2 TIP3 3623 45.049 0.817 26.297 1.00 0.00 WT4 O ATOM 49385 H1 TIP3 3623 44.173 1.156 26.484 1.00 0.00 WT4 H ATOM 49386 H2 TIP3 3623 45.020 0.573 25.372 1.00 0.00 WT4 H ATOM 49387 OH2 TIP3 3633 24.722 32.879 30.986 1.00 0.00 WT4 O ATOM 49388 H1 TIP3 3633 23.998 32.885 30.360 1.00 0.00 WT4 H ATOM 49389 H2 TIP3 3633 24.511 32.167 31.590 1.00 0.00 WT4 H ATOM 49390 OH2 TIP3 3634 71.049 9.557 45.803 1.00 0.00 WT4 O ATOM 49391 H1 TIP3 3634 70.935 9.182 46.676 1.00 0.00 WT4 H ATOM 49392 H2 TIP3 3634 71.982 9.768 45.752 1.00 0.00 WT4 H ATOM 49393 OH2 TIP3 3636 58.009 8.094 -8.874 1.00 0.00 WT4 O ATOM 49394 H1 TIP3 3636 57.241 7.911 -9.415 1.00 0.00 WT4 H ATOM 49395 H2 TIP3 3636 57.651 8.287 -8.007 1.00 0.00 WT4 H ATOM 49396 OH2 TIP3 3638 60.293 27.438 8.533 1.00 0.00 WT4 O ATOM 49397 H1 TIP3 3638 59.963 27.044 9.341 1.00 0.00 WT4 H ATOM 49398 H2 TIP3 3638 59.737 28.205 8.396 1.00 0.00 WT4 H ATOM 49399 OH2 TIP3 3639 47.356 80.306 61.393 1.00 0.00 WT4 O ATOM 49400 H1 TIP3 3639 46.804 79.551 61.191 1.00 0.00 WT4 H ATOM 49401 H2 TIP3 3639 48.251 79.990 61.264 1.00 0.00 WT4 H ATOM 49402 OH2 TIP3 3641 79.000 89.588 52.325 1.00 0.00 WT4 O ATOM 49403 H1 TIP3 3641 79.897 89.698 52.638 1.00 0.00 WT4 H ATOM 49404 H2 TIP3 3641 78.600 88.982 52.949 1.00 0.00 WT4 H ATOM 49405 OH2 TIP3 3650 70.001 62.134 62.342 1.00 0.00 WT4 O ATOM 49406 H1 TIP3 3650 69.342 62.120 63.036 1.00 0.00 WT4 H ATOM 49407 H2 TIP3 3650 70.130 61.213 62.115 1.00 0.00 WT4 H ATOM 49408 OH2 TIP3 3651 58.842 73.932 63.702 1.00 0.00 WT4 O ATOM 49409 H1 TIP3 3651 59.204 73.777 64.574 1.00 0.00 WT4 H ATOM 49410 H2 TIP3 3651 57.908 73.742 63.792 1.00 0.00 WT4 H ATOM 49411 OH2 TIP3 3653 29.036 36.099 40.195 1.00 0.00 WT4 O ATOM 49412 H1 TIP3 3653 29.160 36.168 39.249 1.00 0.00 WT4 H ATOM 49413 H2 TIP3 3653 29.844 36.450 40.570 1.00 0.00 WT4 H ATOM 49414 OH2 TIP3 3660 79.739 57.390 26.871 1.00 0.00 WT4 O ATOM 49415 H1 TIP3 3660 78.899 56.938 26.950 1.00 0.00 WT4 H ATOM 49416 H2 TIP3 3660 79.728 58.041 27.573 1.00 0.00 WT4 H ATOM 49417 OH2 TIP3 3661 73.839 32.134 2.414 1.00 0.00 WT4 O ATOM 49418 H1 TIP3 3661 73.007 32.608 2.416 1.00 0.00 WT4 H ATOM 49419 H2 TIP3 3661 73.734 31.464 3.090 1.00 0.00 WT4 H ATOM 49420 OH2 TIP3 3662 56.209 65.148 55.907 1.00 0.00 WT4 O ATOM 49421 H1 TIP3 3662 55.817 64.378 55.494 1.00 0.00 WT4 H ATOM 49422 H2 TIP3 3662 56.676 65.590 55.198 1.00 0.00 WT4 H ATOM 49423 OH2 TIP3 3674 56.159 80.077 59.685 1.00 0.00 WT4 O ATOM 49424 H1 TIP3 3674 56.608 79.380 59.208 1.00 0.00 WT4 H ATOM 49425 H2 TIP3 3674 55.717 80.587 59.006 1.00 0.00 WT4 H ATOM 49426 OH2 TIP3 3675 27.798 1.162 44.394 1.00 0.00 WT4 O ATOM 49427 H1 TIP3 3675 27.680 0.468 45.043 1.00 0.00 WT4 H ATOM 49428 H2 TIP3 3675 26.954 1.612 44.368 1.00 0.00 WT4 H ATOM 49429 OH2 TIP3 3693 56.840 3.002 46.417 1.00 0.00 WT4 O ATOM 49430 H1 TIP3 3693 56.519 3.902 46.479 1.00 0.00 WT4 H ATOM 49431 H2 TIP3 3693 56.464 2.668 45.603 1.00 0.00 WT4 H ATOM 49432 OH2 TIP3 3697 79.028 70.915 16.836 1.00 0.00 WT4 O ATOM 49433 H1 TIP3 3697 78.320 71.549 16.724 1.00 0.00 WT4 H ATOM 49434 H2 TIP3 3697 78.857 70.245 16.174 1.00 0.00 WT4 H ATOM 49435 OH2 TIP3 3700 21.032 66.035 32.935 1.00 0.00 WT4 O ATOM 49436 H1 TIP3 3700 20.344 65.577 33.418 1.00 0.00 WT4 H ATOM 49437 H2 TIP3 3700 21.839 65.814 33.399 1.00 0.00 WT4 H ATOM 49438 OH2 TIP3 3701 66.446 81.328 32.157 1.00 0.00 WT4 O ATOM 49439 H1 TIP3 3701 65.813 80.766 31.710 1.00 0.00 WT4 H ATOM 49440 H2 TIP3 3701 67.012 81.656 31.458 1.00 0.00 WT4 H ATOM 49441 OH2 TIP3 3703 51.517 73.648 -3.701 1.00 0.00 WT4 O ATOM 49442 H1 TIP3 3703 51.326 73.775 -2.772 1.00 0.00 WT4 H ATOM 49443 H2 TIP3 3703 52.280 73.070 -3.713 1.00 0.00 WT4 H ATOM 49444 OH2 TIP3 3708 42.093 91.680 -10.063 1.00 0.00 WT4 O ATOM 49445 H1 TIP3 3708 42.207 90.745 -10.236 1.00 0.00 WT4 H ATOM 49446 H2 TIP3 3708 42.530 92.115 -10.795 1.00 0.00 WT4 H ATOM 49447 OH2 TIP3 3718 29.079 0.596 23.966 1.00 0.00 WT4 O ATOM 49448 H1 TIP3 3718 29.160 0.151 23.122 1.00 0.00 WT4 H ATOM 49449 H2 TIP3 3718 29.246 -0.088 24.615 1.00 0.00 WT4 H ATOM 49450 OH2 TIP3 3720 45.821 24.391 -16.729 1.00 0.00 WT4 O ATOM 49451 H1 TIP3 3720 46.176 24.136 -15.877 1.00 0.00 WT4 H ATOM 49452 H2 TIP3 3720 44.874 24.287 -16.635 1.00 0.00 WT4 H ATOM 49453 OH2 TIP3 3721 55.154 94.200 5.160 1.00 0.00 WT4 O ATOM 49454 H1 TIP3 3721 55.754 94.601 5.789 1.00 0.00 WT4 H ATOM 49455 H2 TIP3 3721 54.511 93.741 5.700 1.00 0.00 WT4 H ATOM 49456 OH2 TIP3 3722 80.451 84.425 15.020 1.00 0.00 WT4 O ATOM 49457 H1 TIP3 3722 79.649 84.742 15.436 1.00 0.00 WT4 H ATOM 49458 H2 TIP3 3722 80.503 83.503 15.270 1.00 0.00 WT4 H ATOM 49459 OH2 TIP3 3723 58.794 11.951 59.373 1.00 0.00 WT4 O ATOM 49460 H1 TIP3 3723 57.913 11.895 59.003 1.00 0.00 WT4 H ATOM 49461 H2 TIP3 3723 59.018 11.048 59.597 1.00 0.00 WT4 H ATOM 49462 OH2 TIP3 3727 82.395 74.651 52.201 1.00 0.00 WT4 O ATOM 49463 H1 TIP3 3727 82.406 75.341 51.537 1.00 0.00 WT4 H ATOM 49464 H2 TIP3 3727 81.471 74.417 52.288 1.00 0.00 WT4 H ATOM 49465 OH2 TIP3 3740 74.067 84.987 3.331 1.00 0.00 WT4 O ATOM 49466 H1 TIP3 3740 73.780 85.260 2.460 1.00 0.00 WT4 H ATOM 49467 H2 TIP3 3740 73.454 84.296 3.581 1.00 0.00 WT4 H ATOM 49468 OH2 TIP3 3757 45.802 2.622 43.682 1.00 0.00 WT4 O ATOM 49469 H1 TIP3 3757 45.547 1.831 43.206 1.00 0.00 WT4 H ATOM 49470 H2 TIP3 3757 45.664 2.403 44.603 1.00 0.00 WT4 H ATOM 49471 OH2 TIP3 3821 48.071 71.490 -9.292 1.00 0.00 WT4 O ATOM 49472 H1 TIP3 3821 48.324 72.405 -9.416 1.00 0.00 WT4 H ATOM 49473 H2 TIP3 3821 47.751 71.211 -10.150 1.00 0.00 WT4 H ATOM 49474 OH2 TIP3 3829 35.363 43.373 23.960 1.00 0.00 WT4 O ATOM 49475 H1 TIP3 3829 36.064 42.727 23.869 1.00 0.00 WT4 H ATOM 49476 H2 TIP3 3829 34.931 43.381 23.106 1.00 0.00 WT4 H ATOM 49477 OH2 TIP3 3925 43.877 58.638 4.752 1.00 0.00 WT4 O ATOM 49478 H1 TIP3 3925 44.439 59.318 4.378 1.00 0.00 WT4 H ATOM 49479 H2 TIP3 3925 44.030 58.692 5.695 1.00 0.00 WT4 H ATOM 49480 OH2 TIP3 3931 49.328 18.424 36.355 1.00 0.00 WT4 O ATOM 49481 H1 TIP3 3931 49.730 17.613 36.665 1.00 0.00 WT4 H ATOM 49482 H2 TIP3 3931 49.807 18.639 35.554 1.00 0.00 WT4 H ATOM 49483 OH2 TIP3 3933 89.838 18.365 59.106 1.00 0.00 WT4 O ATOM 49484 H1 TIP3 3933 90.446 18.084 59.790 1.00 0.00 WT4 H ATOM 49485 H2 TIP3 3933 90.308 19.053 58.635 1.00 0.00 WT4 H ATOM 49486 OH2 TIP3 3951 81.066 56.019 -13.903 1.00 0.00 WT4 O ATOM 49487 H1 TIP3 3951 80.741 55.177 -13.584 1.00 0.00 WT4 H ATOM 49488 H2 TIP3 3951 80.310 56.603 -13.849 1.00 0.00 WT4 H ATOM 49489 OH2 TIP3 3973 61.773 69.697 -8.744 1.00 0.00 WT4 O ATOM 49490 H1 TIP3 3973 62.328 70.393 -8.392 1.00 0.00 WT4 H ATOM 49491 H2 TIP3 3973 61.316 69.345 -7.981 1.00 0.00 WT4 H ATOM 49492 OH2 TIP3 3974 61.797 9.278 32.912 1.00 0.00 WT4 O ATOM 49493 H1 TIP3 3974 61.820 9.325 33.867 1.00 0.00 WT4 H ATOM 49494 H2 TIP3 3974 60.939 9.627 32.674 1.00 0.00 WT4 H ATOM 49495 OH2 TIP3 3975 28.618 82.745 35.252 1.00 0.00 WT4 O ATOM 49496 H1 TIP3 3975 28.888 81.969 34.761 1.00 0.00 WT4 H ATOM 49497 H2 TIP3 3975 28.777 82.516 36.168 1.00 0.00 WT4 H ATOM 49498 OH2 TIP3 3976 62.451 75.530 44.641 1.00 0.00 WT4 O ATOM 49499 H1 TIP3 3976 61.993 74.798 44.228 1.00 0.00 WT4 H ATOM 49500 H2 TIP3 3976 63.342 75.481 44.295 1.00 0.00 WT4 H ATOM 49501 OH2 TIP3 3977 28.553 66.102 45.439 1.00 0.00 WT4 O ATOM 49502 H1 TIP3 3977 28.375 65.226 45.783 1.00 0.00 WT4 H ATOM 49503 H2 TIP3 3977 29.504 66.128 45.329 1.00 0.00 WT4 H ATOM 49504 OH2 TIP3 3991 61.242 77.653 54.757 1.00 0.00 WT4 O ATOM 49505 H1 TIP3 3991 60.982 77.101 54.020 1.00 0.00 WT4 H ATOM 49506 H2 TIP3 3991 60.980 78.537 54.500 1.00 0.00 WT4 H ATOM 49507 OH2 TIP3 3992 86.387 84.130 -9.930 1.00 0.00 WT4 O ATOM 49508 H1 TIP3 3992 86.104 83.824 -9.069 1.00 0.00 WT4 H ATOM 49509 H2 TIP3 3992 87.316 84.333 -9.819 1.00 0.00 WT4 H ATOM 49510 OH2 TIP3 3993 56.340 80.911 14.740 1.00 0.00 WT4 O ATOM 49511 H1 TIP3 3993 56.899 80.365 14.187 1.00 0.00 WT4 H ATOM 49512 H2 TIP3 3993 56.220 80.398 15.540 1.00 0.00 WT4 H ATOM 49513 OH2 TIP3 3995 69.248 62.840 -6.908 1.00 0.00 WT4 O ATOM 49514 H1 TIP3 3995 68.464 63.079 -6.412 1.00 0.00 WT4 H ATOM 49515 H2 TIP3 3995 69.896 62.619 -6.239 1.00 0.00 WT4 H ATOM 49516 OH2 TIP3 4009 34.122 86.764 5.137 1.00 0.00 WT4 O ATOM 49517 H1 TIP3 4009 34.666 86.705 5.923 1.00 0.00 WT4 H ATOM 49518 H2 TIP3 4009 33.467 87.429 5.348 1.00 0.00 WT4 H ATOM 49519 OH2 TIP3 4010 54.807 1.318 27.623 1.00 0.00 WT4 O ATOM 49520 H1 TIP3 4010 54.234 2.076 27.508 1.00 0.00 WT4 H ATOM 49521 H2 TIP3 4010 55.609 1.550 27.154 1.00 0.00 WT4 H ATOM 49522 OH2 TIP3 4012 88.370 65.419 58.486 1.00 0.00 WT4 O ATOM 49523 H1 TIP3 4012 87.891 65.888 59.169 1.00 0.00 WT4 H ATOM 49524 H2 TIP3 4012 89.286 65.661 58.625 1.00 0.00 WT4 H ATOM 49525 OH2 TIP3 4014 46.127 66.446 -4.675 1.00 0.00 WT4 O ATOM 49526 H1 TIP3 4014 46.539 67.150 -4.175 1.00 0.00 WT4 H ATOM 49527 H2 TIP3 4014 45.221 66.732 -4.792 1.00 0.00 WT4 H ATOM 49528 OH2 TIP3 4015 59.818 78.103 47.707 1.00 0.00 WT4 O ATOM 49529 H1 TIP3 4015 59.844 79.052 47.588 1.00 0.00 WT4 H ATOM 49530 H2 TIP3 4015 59.162 77.964 48.390 1.00 0.00 WT4 H ATOM 49531 OH2 TIP3 4016 58.774 18.622 28.301 1.00 0.00 WT4 O ATOM 49532 H1 TIP3 4016 59.178 19.476 28.148 1.00 0.00 WT4 H ATOM 49533 H2 TIP3 4016 57.856 18.743 28.056 1.00 0.00 WT4 H ATOM 49534 OH2 TIP3 4017 31.436 73.733 37.089 1.00 0.00 WT4 O ATOM 49535 H1 TIP3 4017 32.132 73.395 36.525 1.00 0.00 WT4 H ATOM 49536 H2 TIP3 4017 31.083 72.958 37.526 1.00 0.00 WT4 H ATOM 49537 OH2 TIP3 4021 77.740 61.332 -8.288 1.00 0.00 WT4 O ATOM 49538 H1 TIP3 4021 77.668 61.177 -9.230 1.00 0.00 WT4 H ATOM 49539 H2 TIP3 4021 77.228 60.628 -7.890 1.00 0.00 WT4 H ATOM 49540 OH2 TIP3 4022 80.322 12.132 49.827 1.00 0.00 WT4 O ATOM 49541 H1 TIP3 4022 79.594 12.342 50.412 1.00 0.00 WT4 H ATOM 49542 H2 TIP3 4022 80.236 12.754 49.104 1.00 0.00 WT4 H ATOM 49543 OH2 TIP3 4030 43.326 12.260 11.934 1.00 0.00 WT4 O ATOM 49544 H1 TIP3 4030 43.003 12.130 12.826 1.00 0.00 WT4 H ATOM 49545 H2 TIP3 4030 43.753 11.433 11.711 1.00 0.00 WT4 H ATOM 49546 OH2 TIP3 4035 75.946 70.476 -4.825 1.00 0.00 WT4 O ATOM 49547 H1 TIP3 4035 76.273 69.661 -4.444 1.00 0.00 WT4 H ATOM 49548 H2 TIP3 4035 75.425 70.874 -4.127 1.00 0.00 WT4 H ATOM 49549 OH2 TIP3 4036 38.545 5.712 51.614 1.00 0.00 WT4 O ATOM 49550 H1 TIP3 4036 37.790 5.515 51.060 1.00 0.00 WT4 H ATOM 49551 H2 TIP3 4036 38.169 6.107 52.401 1.00 0.00 WT4 H ATOM 49552 OH2 TIP3 4040 85.283 34.844 57.542 1.00 0.00 WT4 O ATOM 49553 H1 TIP3 4040 85.245 35.781 57.731 1.00 0.00 WT4 H ATOM 49554 H2 TIP3 4040 85.936 34.765 56.847 1.00 0.00 WT4 H ATOM 49555 OH2 TIP3 4053 21.985 68.806 66.084 1.00 0.00 WT4 O ATOM 49556 H1 TIP3 4053 21.195 68.429 66.471 1.00 0.00 WT4 H ATOM 49557 H2 TIP3 4053 22.655 68.133 66.203 1.00 0.00 WT4 H ATOM 49558 OH2 TIP3 4054 25.087 83.121 66.457 1.00 0.00 WT4 O ATOM 49559 H1 TIP3 4054 25.806 82.516 66.641 1.00 0.00 WT4 H ATOM 49560 H2 TIP3 4054 25.519 83.932 66.189 1.00 0.00 WT4 H ATOM 49561 OH2 TIP3 4055 86.631 94.659 60.832 1.00 0.00 WT4 O ATOM 49562 H1 TIP3 4055 87.330 94.011 60.754 1.00 0.00 WT4 H ATOM 49563 H2 TIP3 4055 85.832 94.141 60.929 1.00 0.00 WT4 H ATOM 49564 OH2 TIP3 4056 69.216 47.215 -1.345 1.00 0.00 WT4 O ATOM 49565 H1 TIP3 4056 69.374 47.151 -0.403 1.00 0.00 WT4 H ATOM 49566 H2 TIP3 4056 69.203 48.156 -1.523 1.00 0.00 WT4 H ATOM 49567 OH2 TIP3 4057 66.699 80.115 5.192 1.00 0.00 WT4 O ATOM 49568 H1 TIP3 4057 66.124 80.366 4.469 1.00 0.00 WT4 H ATOM 49569 H2 TIP3 4057 66.392 79.246 5.452 1.00 0.00 WT4 H ATOM 49570 OH2 TIP3 4058 66.054 10.334 49.661 1.00 0.00 WT4 O ATOM 49571 H1 TIP3 4058 65.503 10.697 48.968 1.00 0.00 WT4 H ATOM 49572 H2 TIP3 4058 65.924 9.388 49.601 1.00 0.00 WT4 H ATOM 49573 OH2 TIP3 4059 57.041 6.293 33.703 1.00 0.00 WT4 O ATOM 49574 H1 TIP3 4059 57.574 6.685 33.011 1.00 0.00 WT4 H ATOM 49575 H2 TIP3 4059 56.990 5.366 33.469 1.00 0.00 WT4 H ATOM 49576 OH2 TIP3 4060 61.473 83.322 65.182 1.00 0.00 WT4 O ATOM 49577 H1 TIP3 4060 61.303 82.703 64.472 1.00 0.00 WT4 H ATOM 49578 H2 TIP3 4060 61.311 82.822 65.982 1.00 0.00 WT4 H ATOM 49579 OH2 TIP3 4064 58.956 63.308 34.937 1.00 0.00 WT4 O ATOM 49580 H1 TIP3 4064 58.485 62.988 35.706 1.00 0.00 WT4 H ATOM 49581 H2 TIP3 4064 58.921 62.582 34.314 1.00 0.00 WT4 H ATOM 49582 OH2 TIP3 4072 31.812 73.257 17.927 1.00 0.00 WT4 O ATOM 49583 H1 TIP3 4072 32.115 72.361 18.076 1.00 0.00 WT4 H ATOM 49584 H2 TIP3 4072 31.078 73.164 17.320 1.00 0.00 WT4 H ATOM 49585 OH2 TIP3 4074 70.023 56.568 -19.177 1.00 0.00 WT4 O ATOM 49586 H1 TIP3 4074 69.401 56.007 -18.714 1.00 0.00 WT4 H ATOM 49587 H2 TIP3 4074 69.479 57.107 -19.751 1.00 0.00 WT4 H ATOM 49588 OH2 TIP3 4076 27.694 89.429 48.279 1.00 0.00 WT4 O ATOM 49589 H1 TIP3 4076 28.519 89.768 47.931 1.00 0.00 WT4 H ATOM 49590 H2 TIP3 4076 27.486 90.011 49.011 1.00 0.00 WT4 H ATOM 49591 OH2 TIP3 4077 73.148 38.531 41.083 1.00 0.00 WT4 O ATOM 49592 H1 TIP3 4077 72.580 39.231 41.406 1.00 0.00 WT4 H ATOM 49593 H2 TIP3 4077 73.118 38.617 40.130 1.00 0.00 WT4 H ATOM 49594 OH2 TIP3 4078 60.354 68.131 -14.333 1.00 0.00 WT4 O ATOM 49595 H1 TIP3 4078 60.485 68.123 -13.385 1.00 0.00 WT4 H ATOM 49596 H2 TIP3 4078 59.413 68.004 -14.446 1.00 0.00 WT4 H ATOM 49597 OH2 TIP3 4083 63.418 28.672 44.184 1.00 0.00 WT4 O ATOM 49598 H1 TIP3 4083 62.516 28.615 44.499 1.00 0.00 WT4 H ATOM 49599 H2 TIP3 4083 63.928 28.905 44.960 1.00 0.00 WT4 H ATOM 49600 OH2 TIP3 4093 27.197 37.452 54.229 1.00 0.00 WT4 O ATOM 49601 H1 TIP3 4093 27.560 37.920 54.981 1.00 0.00 WT4 H ATOM 49602 H2 TIP3 4093 27.844 36.773 54.035 1.00 0.00 WT4 H ATOM 49603 OH2 TIP3 4097 61.023 18.562 32.091 1.00 0.00 WT4 O ATOM 49604 H1 TIP3 4097 61.307 17.946 32.766 1.00 0.00 WT4 H ATOM 49605 H2 TIP3 4097 61.834 18.843 31.667 1.00 0.00 WT4 H ATOM 49606 OH2 TIP3 4098 65.738 71.672 41.173 1.00 0.00 WT4 O ATOM 49607 H1 TIP3 4098 65.504 71.517 40.258 1.00 0.00 WT4 H ATOM 49608 H2 TIP3 4098 66.603 72.080 41.133 1.00 0.00 WT4 H ATOM 49609 OH2 TIP3 4099 81.521 84.017 60.538 1.00 0.00 WT4 O ATOM 49610 H1 TIP3 4099 81.421 83.065 60.564 1.00 0.00 WT4 H ATOM 49611 H2 TIP3 4099 82.210 84.169 59.892 1.00 0.00 WT4 H ATOM 49612 OH2 TIP3 4101 22.049 42.238 40.554 1.00 0.00 WT4 O ATOM 49613 H1 TIP3 4101 22.019 41.942 39.644 1.00 0.00 WT4 H ATOM 49614 H2 TIP3 4101 21.778 43.155 40.517 1.00 0.00 WT4 H ATOM 49615 OH2 TIP3 4104 24.634 67.899 46.372 1.00 0.00 WT4 O ATOM 49616 H1 TIP3 4104 25.057 68.651 45.957 1.00 0.00 WT4 H ATOM 49617 H2 TIP3 4104 24.838 67.161 45.798 1.00 0.00 WT4 H ATOM 49618 OH2 TIP3 4116 33.158 87.412 18.064 1.00 0.00 WT4 O ATOM 49619 H1 TIP3 4116 32.686 86.637 18.368 1.00 0.00 WT4 H ATOM 49620 H2 TIP3 4116 34.078 87.150 18.067 1.00 0.00 WT4 H ATOM 49621 OH2 TIP3 4120 67.125 27.959 5.575 1.00 0.00 WT4 O ATOM 49622 H1 TIP3 4120 66.654 28.776 5.738 1.00 0.00 WT4 H ATOM 49623 H2 TIP3 4120 66.798 27.659 4.727 1.00 0.00 WT4 H ATOM 49624 OH2 TIP3 4121 46.550 91.404 28.523 1.00 0.00 WT4 O ATOM 49625 H1 TIP3 4121 46.362 90.654 29.087 1.00 0.00 WT4 H ATOM 49626 H2 TIP3 4121 45.865 92.039 28.732 1.00 0.00 WT4 H ATOM 49627 OH2 TIP3 4123 74.306 88.102 40.233 1.00 0.00 WT4 O ATOM 49628 H1 TIP3 4123 74.303 87.241 39.813 1.00 0.00 WT4 H ATOM 49629 H2 TIP3 4123 75.091 88.100 40.780 1.00 0.00 WT4 H ATOM 49630 OH2 TIP3 4138 81.403 90.571 60.097 1.00 0.00 WT4 O ATOM 49631 H1 TIP3 4138 81.443 90.526 61.052 1.00 0.00 WT4 H ATOM 49632 H2 TIP3 4138 82.150 90.051 59.801 1.00 0.00 WT4 H ATOM 49633 OH2 TIP3 4139 83.180 84.140 26.448 1.00 0.00 WT4 O ATOM 49634 H1 TIP3 4139 82.609 83.746 27.108 1.00 0.00 WT4 H ATOM 49635 H2 TIP3 4139 83.981 83.618 26.481 1.00 0.00 WT4 H ATOM 49636 OH2 TIP3 4141 46.744 93.429 51.005 1.00 0.00 WT4 O ATOM 49637 H1 TIP3 4141 47.319 94.185 50.885 1.00 0.00 WT4 H ATOM 49638 H2 TIP3 4141 47.146 92.736 50.481 1.00 0.00 WT4 H ATOM 49639 OH2 TIP3 4142 38.749 31.157 47.455 1.00 0.00 WT4 O ATOM 49640 H1 TIP3 4142 38.222 31.580 46.777 1.00 0.00 WT4 H ATOM 49641 H2 TIP3 4142 38.294 30.335 47.635 1.00 0.00 WT4 H ATOM 49642 OH2 TIP3 4143 28.738 74.097 47.616 1.00 0.00 WT4 O ATOM 49643 H1 TIP3 4143 29.005 73.953 46.708 1.00 0.00 WT4 H ATOM 49644 H2 TIP3 4143 29.230 74.871 47.891 1.00 0.00 WT4 H ATOM 49645 OH2 TIP3 4157 75.795 0.855 -10.658 1.00 0.00 WT4 O ATOM 49646 H1 TIP3 4157 76.599 1.153 -11.084 1.00 0.00 WT4 H ATOM 49647 H2 TIP3 4157 75.098 1.082 -11.275 1.00 0.00 WT4 H ATOM 49648 OH2 TIP3 4161 74.779 23.481 48.317 1.00 0.00 WT4 O ATOM 49649 H1 TIP3 4161 73.827 23.380 48.342 1.00 0.00 WT4 H ATOM 49650 H2 TIP3 4161 74.961 24.193 48.929 1.00 0.00 WT4 H ATOM 49651 OH2 TIP3 4165 24.734 68.135 67.088 1.00 0.00 WT4 O ATOM 49652 H1 TIP3 4165 25.104 68.781 67.690 1.00 0.00 WT4 H ATOM 49653 H2 TIP3 4165 24.966 68.459 66.217 1.00 0.00 WT4 H ATOM 49654 OH2 TIP3 4179 74.609 74.780 -11.106 1.00 0.00 WT4 O ATOM 49655 H1 TIP3 4179 75.085 74.310 -10.421 1.00 0.00 WT4 H ATOM 49656 H2 TIP3 4179 73.689 74.563 -10.951 1.00 0.00 WT4 H ATOM 49657 OH2 TIP3 4184 83.684 89.900 64.635 1.00 0.00 WT4 O ATOM 49658 H1 TIP3 4184 83.966 88.990 64.732 1.00 0.00 WT4 H ATOM 49659 H2 TIP3 4184 84.107 90.362 65.358 1.00 0.00 WT4 H ATOM 49660 OH2 TIP3 4186 63.383 35.781 48.618 1.00 0.00 WT4 O ATOM 49661 H1 TIP3 4186 63.739 35.304 47.868 1.00 0.00 WT4 H ATOM 49662 H2 TIP3 4186 62.446 35.585 48.604 1.00 0.00 WT4 H ATOM 49663 OH2 TIP3 4201 89.222 25.460 -8.718 1.00 0.00 WT4 O ATOM 49664 H1 TIP3 4201 89.686 25.658 -7.904 1.00 0.00 WT4 H ATOM 49665 H2 TIP3 4201 88.301 25.412 -8.463 1.00 0.00 WT4 H ATOM 49666 OH2 TIP3 4202 56.059 88.405 43.303 1.00 0.00 WT4 O ATOM 49667 H1 TIP3 4202 55.300 87.900 43.594 1.00 0.00 WT4 H ATOM 49668 H2 TIP3 4202 55.703 89.266 43.080 1.00 0.00 WT4 H ATOM 49669 OH2 TIP3 4243 37.700 8.020 48.781 1.00 0.00 WT4 O ATOM 49670 H1 TIP3 4243 38.143 8.180 49.614 1.00 0.00 WT4 H ATOM 49671 H2 TIP3 4243 38.252 7.377 48.335 1.00 0.00 WT4 H ATOM 49672 OH2 TIP3 4356 46.671 86.352 -8.393 1.00 0.00 WT4 O ATOM 49673 H1 TIP3 4356 46.575 85.553 -7.874 1.00 0.00 WT4 H ATOM 49674 H2 TIP3 4356 45.779 86.570 -8.666 1.00 0.00 WT4 H ATOM 49675 OH2 TIP3 4374 24.546 67.982 39.476 1.00 0.00 WT4 O ATOM 49676 H1 TIP3 4374 25.015 67.163 39.319 1.00 0.00 WT4 H ATOM 49677 H2 TIP3 4374 24.573 68.439 38.635 1.00 0.00 WT4 H ATOM 49678 OH2 TIP3 4394 61.020 33.018 66.429 1.00 0.00 WT4 O ATOM 49679 H1 TIP3 4394 61.156 33.027 65.481 1.00 0.00 WT4 H ATOM 49680 H2 TIP3 4394 60.827 33.928 66.652 1.00 0.00 WT4 H ATOM 49681 OH2 TIP3 4414 31.640 90.265 55.229 1.00 0.00 WT4 O ATOM 49682 H1 TIP3 4414 31.280 90.840 55.905 1.00 0.00 WT4 H ATOM 49683 H2 TIP3 4414 32.317 90.790 54.803 1.00 0.00 WT4 H ATOM 49684 OH2 TIP3 4417 90.488 93.199 43.551 1.00 0.00 WT4 O ATOM 49685 H1 TIP3 4417 89.602 93.479 43.322 1.00 0.00 WT4 H ATOM 49686 H2 TIP3 4417 90.522 92.277 43.296 1.00 0.00 WT4 H ATOM 49687 OH2 TIP3 4419 71.262 45.060 9.158 1.00 0.00 WT4 O ATOM 49688 H1 TIP3 4419 70.683 44.683 9.821 1.00 0.00 WT4 H ATOM 49689 H2 TIP3 4419 71.625 45.842 9.574 1.00 0.00 WT4 H ATOM 49690 OH2 TIP3 4432 88.758 94.767 -10.402 1.00 0.00 WT4 O ATOM 49691 H1 TIP3 4432 89.128 93.912 -10.622 1.00 0.00 WT4 H ATOM 49692 H2 TIP3 4432 88.956 95.316 -11.160 1.00 0.00 WT4 H ATOM 49693 OH2 TIP3 4434 45.976 79.576 47.878 1.00 0.00 WT4 O ATOM 49694 H1 TIP3 4434 45.488 78.795 47.617 1.00 0.00 WT4 H ATOM 49695 H2 TIP3 4434 45.875 80.179 47.141 1.00 0.00 WT4 H ATOM 49696 OH2 TIP3 4437 85.036 76.869 24.110 1.00 0.00 WT4 O ATOM 49697 H1 TIP3 4437 84.178 76.702 24.500 1.00 0.00 WT4 H ATOM 49698 H2 TIP3 4437 85.618 77.002 24.858 1.00 0.00 WT4 H ATOM 49699 OH2 TIP3 4438 43.125 24.420 -10.216 1.00 0.00 WT4 O ATOM 49700 H1 TIP3 4438 42.872 23.728 -10.828 1.00 0.00 WT4 H ATOM 49701 H2 TIP3 4438 42.555 25.156 -10.437 1.00 0.00 WT4 H ATOM 49702 OH2 TIP3 4453 71.535 72.294 -17.325 1.00 0.00 WT4 O ATOM 49703 H1 TIP3 4453 71.069 71.503 -17.055 1.00 0.00 WT4 H ATOM 49704 H2 TIP3 4453 71.779 72.722 -16.505 1.00 0.00 WT4 H ATOM 49705 OH2 TIP3 4455 71.415 76.076 58.115 1.00 0.00 WT4 O ATOM 49706 H1 TIP3 4455 72.075 76.027 57.424 1.00 0.00 WT4 H ATOM 49707 H2 TIP3 4455 70.579 76.083 57.649 1.00 0.00 WT4 H ATOM 49708 OH2 TIP3 4457 68.095 5.704 66.255 1.00 0.00 WT4 O ATOM 49709 H1 TIP3 4457 68.775 5.166 65.850 1.00 0.00 WT4 H ATOM 49710 H2 TIP3 4457 67.744 5.157 66.958 1.00 0.00 WT4 H ATOM 49711 OH2 TIP3 4461 68.176 43.744 -17.483 1.00 0.00 WT4 O ATOM 49712 H1 TIP3 4461 67.581 43.004 -17.601 1.00 0.00 WT4 H ATOM 49713 H2 TIP3 4461 67.644 44.412 -17.050 1.00 0.00 WT4 H ATOM 49714 OH2 TIP3 4473 29.236 86.145 30.557 1.00 0.00 WT4 O ATOM 49715 H1 TIP3 4473 29.542 86.722 31.257 1.00 0.00 WT4 H ATOM 49716 H2 TIP3 4473 29.997 85.607 30.339 1.00 0.00 WT4 H ATOM 49717 OH2 TIP3 4477 25.995 79.369 54.883 1.00 0.00 WT4 O ATOM 49718 H1 TIP3 4477 26.749 79.264 54.303 1.00 0.00 WT4 H ATOM 49719 H2 TIP3 4477 25.483 80.074 54.487 1.00 0.00 WT4 H ATOM 49720 OH2 TIP3 4478 42.283 9.497 57.508 1.00 0.00 WT4 O ATOM 49721 H1 TIP3 4478 42.548 9.072 56.692 1.00 0.00 WT4 H ATOM 49722 H2 TIP3 4478 41.327 9.513 57.471 1.00 0.00 WT4 H ATOM 49723 OH2 TIP3 4479 64.026 74.672 -13.794 1.00 0.00 WT4 O ATOM 49724 H1 TIP3 4479 64.576 74.074 -13.288 1.00 0.00 WT4 H ATOM 49725 H2 TIP3 4479 64.276 74.514 -14.705 1.00 0.00 WT4 H ATOM 49726 OH2 TIP3 4480 49.120 80.540 -2.187 1.00 0.00 WT4 O ATOM 49727 H1 TIP3 4480 48.756 79.726 -1.839 1.00 0.00 WT4 H ATOM 49728 H2 TIP3 4480 48.745 81.226 -1.635 1.00 0.00 WT4 H ATOM 49729 OH2 TIP3 4496 58.509 78.381 4.930 1.00 0.00 WT4 O ATOM 49730 H1 TIP3 4496 59.417 78.080 4.894 1.00 0.00 WT4 H ATOM 49731 H2 TIP3 4496 58.241 78.227 5.836 1.00 0.00 WT4 H ATOM 49732 OH2 TIP3 4499 31.922 57.224 13.425 1.00 0.00 WT4 O ATOM 49733 H1 TIP3 4499 32.161 56.368 13.781 1.00 0.00 WT4 H ATOM 49734 H2 TIP3 4499 32.486 57.843 13.890 1.00 0.00 WT4 H ATOM 49735 OH2 TIP3 4500 46.667 5.679 22.853 1.00 0.00 WT4 O ATOM 49736 H1 TIP3 4500 46.732 5.546 23.799 1.00 0.00 WT4 H ATOM 49737 H2 TIP3 4500 47.112 4.922 22.473 1.00 0.00 WT4 H ATOM 49738 OH2 TIP3 4501 73.898 25.390 -2.855 1.00 0.00 WT4 O ATOM 49739 H1 TIP3 4501 73.537 26.153 -2.402 1.00 0.00 WT4 H ATOM 49740 H2 TIP3 4501 74.756 25.256 -2.453 1.00 0.00 WT4 H ATOM 49741 OH2 TIP3 4513 32.319 59.498 -1.430 1.00 0.00 WT4 O ATOM 49742 H1 TIP3 4513 32.045 58.629 -1.722 1.00 0.00 WT4 H ATOM 49743 H2 TIP3 4513 33.200 59.605 -1.789 1.00 0.00 WT4 H ATOM 49744 OH2 TIP3 4515 25.871 23.208 17.657 1.00 0.00 WT4 O ATOM 49745 H1 TIP3 4515 25.302 23.672 18.271 1.00 0.00 WT4 H ATOM 49746 H2 TIP3 4515 25.399 22.400 17.456 1.00 0.00 WT4 H ATOM 49747 OH2 TIP3 4516 51.126 30.880 64.137 1.00 0.00 WT4 O ATOM 49748 H1 TIP3 4516 50.327 30.894 64.663 1.00 0.00 WT4 H ATOM 49749 H2 TIP3 4516 51.519 31.742 64.275 1.00 0.00 WT4 H ATOM 49750 OH2 TIP3 4517 56.717 58.509 -6.812 1.00 0.00 WT4 O ATOM 49751 H1 TIP3 4517 56.415 57.787 -7.364 1.00 0.00 WT4 H ATOM 49752 H2 TIP3 4517 56.707 58.153 -5.924 1.00 0.00 WT4 H ATOM 49753 OH2 TIP3 4518 37.030 81.477 60.576 1.00 0.00 WT4 O ATOM 49754 H1 TIP3 4518 36.205 81.281 60.131 1.00 0.00 WT4 H ATOM 49755 H2 TIP3 4518 37.672 80.906 60.153 1.00 0.00 WT4 H ATOM 49756 OH2 TIP3 4519 37.739 95.233 10.217 1.00 0.00 WT4 O ATOM 49757 H1 TIP3 4519 38.192 95.804 9.597 1.00 0.00 WT4 H ATOM 49758 H2 TIP3 4519 37.962 94.346 9.934 1.00 0.00 WT4 H ATOM 49759 OH2 TIP3 4523 55.462 3.265 20.529 1.00 0.00 WT4 O ATOM 49760 H1 TIP3 4523 55.362 4.018 19.948 1.00 0.00 WT4 H ATOM 49761 H2 TIP3 4523 56.008 3.585 21.247 1.00 0.00 WT4 H ATOM 49762 OH2 TIP3 4524 23.156 71.412 64.351 1.00 0.00 WT4 O ATOM 49763 H1 TIP3 4524 22.736 71.584 65.194 1.00 0.00 WT4 H ATOM 49764 H2 TIP3 4524 23.859 72.059 64.296 1.00 0.00 WT4 H ATOM 49765 OH2 TIP3 4536 36.561 40.969 27.470 1.00 0.00 WT4 O ATOM 49766 H1 TIP3 4536 37.114 41.426 28.104 1.00 0.00 WT4 H ATOM 49767 H2 TIP3 4536 36.743 40.041 27.619 1.00 0.00 WT4 H ATOM 49768 OH2 TIP3 4537 56.635 91.740 50.515 1.00 0.00 WT4 O ATOM 49769 H1 TIP3 4537 56.090 92.108 49.819 1.00 0.00 WT4 H ATOM 49770 H2 TIP3 4537 56.161 90.961 50.805 1.00 0.00 WT4 H ATOM 49771 OH2 TIP3 4538 28.207 74.153 50.951 1.00 0.00 WT4 O ATOM 49772 H1 TIP3 4538 28.156 75.105 51.037 1.00 0.00 WT4 H ATOM 49773 H2 TIP3 4538 27.297 73.860 50.997 1.00 0.00 WT4 H ATOM 49774 OH2 TIP3 4542 27.570 91.422 -10.469 1.00 0.00 WT4 O ATOM 49775 H1 TIP3 4542 27.913 91.262 -9.590 1.00 0.00 WT4 H ATOM 49776 H2 TIP3 4542 27.543 92.375 -10.547 1.00 0.00 WT4 H ATOM 49777 OH2 TIP3 4544 37.786 49.022 28.750 1.00 0.00 WT4 O ATOM 49778 H1 TIP3 4544 37.649 48.149 29.118 1.00 0.00 WT4 H ATOM 49779 H2 TIP3 4544 37.032 49.530 29.049 1.00 0.00 WT4 H ATOM 49780 OH2 TIP3 4553 76.596 73.769 -9.411 1.00 0.00 WT4 O ATOM 49781 H1 TIP3 4553 77.112 74.570 -9.495 1.00 0.00 WT4 H ATOM 49782 H2 TIP3 4553 77.136 73.191 -8.872 1.00 0.00 WT4 H ATOM 49783 OH2 TIP3 4558 34.715 80.414 33.623 1.00 0.00 WT4 O ATOM 49784 H1 TIP3 4558 35.388 79.777 33.384 1.00 0.00 WT4 H ATOM 49785 H2 TIP3 4558 33.889 79.988 33.393 1.00 0.00 WT4 H ATOM 49786 OH2 TIP3 4559 87.340 83.143 41.350 1.00 0.00 WT4 O ATOM 49787 H1 TIP3 4559 87.680 83.930 41.777 1.00 0.00 WT4 H ATOM 49788 H2 TIP3 4559 86.965 83.460 40.529 1.00 0.00 WT4 H ATOM 49789 OH2 TIP3 4560 55.802 80.583 19.204 1.00 0.00 WT4 O ATOM 49790 H1 TIP3 4560 55.216 81.209 18.778 1.00 0.00 WT4 H ATOM 49791 H2 TIP3 4560 55.589 80.649 20.134 1.00 0.00 WT4 H ATOM 49792 OH2 TIP3 4561 38.593 12.092 51.862 1.00 0.00 WT4 O ATOM 49793 H1 TIP3 4561 39.510 12.118 52.137 1.00 0.00 WT4 H ATOM 49794 H2 TIP3 4561 38.096 12.248 52.665 1.00 0.00 WT4 H ATOM 49795 OH2 TIP3 4562 39.689 59.380 42.517 1.00 0.00 WT4 O ATOM 49796 H1 TIP3 4562 40.096 59.967 41.879 1.00 0.00 WT4 H ATOM 49797 H2 TIP3 4562 40.424 58.999 42.996 1.00 0.00 WT4 H ATOM 49798 OH2 TIP3 4569 31.259 5.130 52.423 1.00 0.00 WT4 O ATOM 49799 H1 TIP3 4569 32.200 5.304 52.431 1.00 0.00 WT4 H ATOM 49800 H2 TIP3 4569 31.052 4.967 51.502 1.00 0.00 WT4 H ATOM 49801 OH2 TIP3 4578 21.268 51.259 34.031 1.00 0.00 WT4 O ATOM 49802 H1 TIP3 4578 21.162 51.452 33.099 1.00 0.00 WT4 H ATOM 49803 H2 TIP3 4578 21.054 50.330 34.110 1.00 0.00 WT4 H ATOM 49804 OH2 TIP3 4581 51.292 61.836 63.641 1.00 0.00 WT4 O ATOM 49805 H1 TIP3 4581 51.405 62.647 63.147 1.00 0.00 WT4 H ATOM 49806 H2 TIP3 4581 50.478 61.461 63.303 1.00 0.00 WT4 H ATOM 49807 OH2 TIP3 4582 29.927 85.775 54.262 1.00 0.00 WT4 O ATOM 49808 H1 TIP3 4582 30.036 86.564 53.730 1.00 0.00 WT4 H ATOM 49809 H2 TIP3 4582 28.979 85.679 54.357 1.00 0.00 WT4 H ATOM 49810 OH2 TIP3 4586 51.855 58.325 0.710 1.00 0.00 WT4 O ATOM 49811 H1 TIP3 4586 51.719 58.020 1.607 1.00 0.00 WT4 H ATOM 49812 H2 TIP3 4586 52.641 58.869 0.759 1.00 0.00 WT4 H ATOM 49813 OH2 TIP3 4599 34.423 46.789 30.741 1.00 0.00 WT4 O ATOM 49814 H1 TIP3 4599 35.150 47.249 31.161 1.00 0.00 WT4 H ATOM 49815 H2 TIP3 4599 34.809 46.393 29.959 1.00 0.00 WT4 H ATOM 49816 OH2 TIP3 4600 56.219 89.978 9.877 1.00 0.00 WT4 O ATOM 49817 H1 TIP3 4600 56.131 90.588 9.144 1.00 0.00 WT4 H ATOM 49818 H2 TIP3 4600 55.337 89.631 10.007 1.00 0.00 WT4 H ATOM 49819 OH2 TIP3 4624 83.349 2.704 -4.903 1.00 0.00 WT4 O ATOM 49820 H1 TIP3 4624 83.704 3.547 -5.185 1.00 0.00 WT4 H ATOM 49821 H2 TIP3 4624 82.511 2.920 -4.495 1.00 0.00 WT4 H ATOM 49822 OH2 TIP3 4625 46.839 42.004 28.176 1.00 0.00 WT4 O ATOM 49823 H1 TIP3 4625 46.967 41.306 27.534 1.00 0.00 WT4 H ATOM 49824 H2 TIP3 4625 47.274 42.766 27.791 1.00 0.00 WT4 H ATOM 49825 OH2 TIP3 4628 53.594 70.656 32.343 1.00 0.00 WT4 O ATOM 49826 H1 TIP3 4628 53.268 71.265 33.005 1.00 0.00 WT4 H ATOM 49827 H2 TIP3 4628 54.250 70.131 32.802 1.00 0.00 WT4 H ATOM 49828 OH2 TIP3 4644 55.094 1.785 4.316 1.00 0.00 WT4 O ATOM 49829 H1 TIP3 4644 54.557 2.092 5.047 1.00 0.00 WT4 H ATOM 49830 H2 TIP3 4644 55.829 2.397 4.285 1.00 0.00 WT4 H ATOM 49831 OH2 TIP3 4663 20.758 93.525 23.574 1.00 0.00 WT4 O ATOM 49832 H1 TIP3 4663 20.217 94.115 23.049 1.00 0.00 WT4 H ATOM 49833 H2 TIP3 4663 21.646 93.869 23.482 1.00 0.00 WT4 H ATOM 49834 OH2 TIP3 4725 77.225 88.193 57.419 1.00 0.00 WT4 O ATOM 49835 H1 TIP3 4725 76.431 88.709 57.559 1.00 0.00 WT4 H ATOM 49836 H2 TIP3 4725 76.924 87.284 57.424 1.00 0.00 WT4 H ATOM 49837 OH2 TIP3 4808 84.470 93.232 61.416 1.00 0.00 WT4 O ATOM 49838 H1 TIP3 4808 84.867 92.425 61.745 1.00 0.00 WT4 H ATOM 49839 H2 TIP3 4808 84.350 93.076 60.480 1.00 0.00 WT4 H ATOM 49840 OH2 TIP3 4834 73.489 62.794 54.855 1.00 0.00 WT4 O ATOM 49841 H1 TIP3 4834 72.661 62.849 55.331 1.00 0.00 WT4 H ATOM 49842 H2 TIP3 4834 73.233 62.684 53.939 1.00 0.00 WT4 H ATOM 49843 OH2 TIP3 4836 57.241 77.575 34.780 1.00 0.00 WT4 O ATOM 49844 H1 TIP3 4836 56.933 76.699 34.546 1.00 0.00 WT4 H ATOM 49845 H2 TIP3 4836 58.099 77.647 34.362 1.00 0.00 WT4 H ATOM 49846 OH2 TIP3 4849 34.772 39.036 54.882 1.00 0.00 WT4 O ATOM 49847 H1 TIP3 4849 33.942 38.570 54.786 1.00 0.00 WT4 H ATOM 49848 H2 TIP3 4849 35.060 38.833 55.772 1.00 0.00 WT4 H ATOM 49849 OH2 TIP3 4851 79.874 78.237 28.766 1.00 0.00 WT4 O ATOM 49850 H1 TIP3 4851 79.996 79.144 28.485 1.00 0.00 WT4 H ATOM 49851 H2 TIP3 4851 78.930 78.092 28.703 1.00 0.00 WT4 H ATOM 49852 OH2 TIP3 4855 43.145 87.480 8.136 1.00 0.00 WT4 O ATOM 49853 H1 TIP3 4855 43.774 87.568 7.420 1.00 0.00 WT4 H ATOM 49854 H2 TIP3 4855 43.590 86.928 8.780 1.00 0.00 WT4 H ATOM 49855 OH2 TIP3 4857 63.634 43.027 -3.917 1.00 0.00 WT4 O ATOM 49856 H1 TIP3 4857 63.806 43.033 -2.975 1.00 0.00 WT4 H ATOM 49857 H2 TIP3 4857 63.981 43.862 -4.229 1.00 0.00 WT4 H ATOM 49858 OH2 TIP3 4863 55.286 42.089 63.713 1.00 0.00 WT4 O ATOM 49859 H1 TIP3 4863 56.085 42.471 64.075 1.00 0.00 WT4 H ATOM 49860 H2 TIP3 4863 55.382 41.148 63.861 1.00 0.00 WT4 H ATOM 49861 OH2 TIP3 4872 69.629 31.334 28.524 1.00 0.00 WT4 O ATOM 49862 H1 TIP3 4872 69.402 30.755 29.252 1.00 0.00 WT4 H ATOM 49863 H2 TIP3 4872 70.036 30.757 27.877 1.00 0.00 WT4 H ATOM 49864 OH2 TIP3 4875 25.246 51.254 61.128 1.00 0.00 WT4 O ATOM 49865 H1 TIP3 4875 25.162 50.302 61.069 1.00 0.00 WT4 H ATOM 49866 H2 TIP3 4875 25.124 51.448 62.058 1.00 0.00 WT4 H ATOM 49867 OH2 TIP3 4877 25.132 61.015 -4.022 1.00 0.00 WT4 O ATOM 49868 H1 TIP3 4877 25.894 61.080 -4.596 1.00 0.00 WT4 H ATOM 49869 H2 TIP3 4877 25.378 60.357 -3.371 1.00 0.00 WT4 H ATOM 49870 OH2 TIP3 4893 59.750 27.124 58.733 1.00 0.00 WT4 O ATOM 49871 H1 TIP3 4893 60.120 27.991 58.899 1.00 0.00 WT4 H ATOM 49872 H2 TIP3 4893 59.353 26.870 59.566 1.00 0.00 WT4 H ATOM 49873 OH2 TIP3 4896 30.363 87.482 -10.851 1.00 0.00 WT4 O ATOM 49874 H1 TIP3 4896 29.772 88.195 -11.093 1.00 0.00 WT4 H ATOM 49875 H2 TIP3 4896 31.235 87.878 -10.864 1.00 0.00 WT4 H ATOM 49876 OH2 TIP3 4897 67.382 51.108 64.569 1.00 0.00 WT4 O ATOM 49877 H1 TIP3 4897 66.688 50.587 64.973 1.00 0.00 WT4 H ATOM 49878 H2 TIP3 4897 67.127 52.016 64.735 1.00 0.00 WT4 H ATOM 49879 OH2 TIP3 4898 69.998 85.414 64.696 1.00 0.00 WT4 O ATOM 49880 H1 TIP3 4898 69.892 86.311 65.012 1.00 0.00 WT4 H ATOM 49881 H2 TIP3 4898 70.929 85.226 64.816 1.00 0.00 WT4 H ATOM 49882 OH2 TIP3 4899 28.651 68.246 37.231 1.00 0.00 WT4 O ATOM 49883 H1 TIP3 4899 29.482 68.692 37.064 1.00 0.00 WT4 H ATOM 49884 H2 TIP3 4899 28.153 68.355 36.421 1.00 0.00 WT4 H ATOM 49885 OH2 TIP3 4914 53.744 77.087 46.249 1.00 0.00 WT4 O ATOM 49886 H1 TIP3 4914 53.142 77.399 46.924 1.00 0.00 WT4 H ATOM 49887 H2 TIP3 4914 53.199 76.560 45.665 1.00 0.00 WT4 H ATOM 49888 OH2 TIP3 4915 47.845 32.918 47.564 1.00 0.00 WT4 O ATOM 49889 H1 TIP3 4915 47.749 32.799 48.509 1.00 0.00 WT4 H ATOM 49890 H2 TIP3 4915 48.780 32.792 47.400 1.00 0.00 WT4 H ATOM 49891 OH2 TIP3 4916 23.868 70.390 56.307 1.00 0.00 WT4 O ATOM 49892 H1 TIP3 4916 23.345 71.037 55.834 1.00 0.00 WT4 H ATOM 49893 H2 TIP3 4916 24.771 70.691 56.207 1.00 0.00 WT4 H ATOM 49894 OH2 TIP3 4919 83.119 49.506 -1.382 1.00 0.00 WT4 O ATOM 49895 H1 TIP3 4919 82.927 50.429 -1.217 1.00 0.00 WT4 H ATOM 49896 H2 TIP3 4919 83.610 49.506 -2.203 1.00 0.00 WT4 H ATOM 49897 OH2 TIP3 4922 85.403 90.697 62.631 1.00 0.00 WT4 O ATOM 49898 H1 TIP3 4922 85.119 89.982 62.062 1.00 0.00 WT4 H ATOM 49899 H2 TIP3 4922 84.812 90.654 63.383 1.00 0.00 WT4 H ATOM 49900 OH2 TIP3 4924 43.255 45.639 61.794 1.00 0.00 WT4 O ATOM 49901 H1 TIP3 4924 42.766 45.041 61.229 1.00 0.00 WT4 H ATOM 49902 H2 TIP3 4924 42.672 46.389 61.911 1.00 0.00 WT4 H ATOM 49903 OH2 TIP3 4934 78.901 92.840 -12.554 1.00 0.00 WT4 O ATOM 49904 H1 TIP3 4934 78.988 93.631 -13.085 1.00 0.00 WT4 H ATOM 49905 H2 TIP3 4934 79.778 92.692 -12.199 1.00 0.00 WT4 H ATOM 49906 OH2 TIP3 4935 32.136 94.220 48.121 1.00 0.00 WT4 O ATOM 49907 H1 TIP3 4935 32.450 93.380 47.786 1.00 0.00 WT4 H ATOM 49908 H2 TIP3 4935 31.592 93.990 48.875 1.00 0.00 WT4 H ATOM 49909 OH2 TIP3 4936 41.860 7.754 -10.162 1.00 0.00 WT4 O ATOM 49910 H1 TIP3 4936 42.647 8.132 -9.769 1.00 0.00 WT4 H ATOM 49911 H2 TIP3 4936 41.232 8.476 -10.182 1.00 0.00 WT4 H ATOM 49912 OH2 TIP3 4939 62.811 75.535 0.701 1.00 0.00 WT4 O ATOM 49913 H1 TIP3 4939 63.144 75.028 1.442 1.00 0.00 WT4 H ATOM 49914 H2 TIP3 4939 61.998 75.923 1.023 1.00 0.00 WT4 H ATOM 49915 OH2 TIP3 4942 59.601 95.403 60.656 1.00 0.00 WT4 O ATOM 49916 H1 TIP3 4942 58.886 94.767 60.685 1.00 0.00 WT4 H ATOM 49917 H2 TIP3 4942 60.045 95.303 61.498 1.00 0.00 WT4 H ATOM 49918 OH2 TIP3 4956 21.502 90.060 29.345 1.00 0.00 WT4 O ATOM 49919 H1 TIP3 4956 21.831 90.295 28.477 1.00 0.00 WT4 H ATOM 49920 H2 TIP3 4956 20.600 89.781 29.192 1.00 0.00 WT4 H ATOM 49921 OH2 TIP3 4957 22.693 77.906 18.736 1.00 0.00 WT4 O ATOM 49922 H1 TIP3 4957 21.884 78.408 18.636 1.00 0.00 WT4 H ATOM 49923 H2 TIP3 4957 22.406 76.994 18.779 1.00 0.00 WT4 H ATOM 49924 OH2 TIP3 4962 48.062 91.504 42.440 1.00 0.00 WT4 O ATOM 49925 H1 TIP3 4962 47.468 92.161 42.077 1.00 0.00 WT4 H ATOM 49926 H2 TIP3 4962 48.889 91.648 41.978 1.00 0.00 WT4 H ATOM 49927 OH2 TIP3 4963 43.380 51.419 5.478 1.00 0.00 WT4 O ATOM 49928 H1 TIP3 4963 44.132 51.911 5.147 1.00 0.00 WT4 H ATOM 49929 H2 TIP3 4963 43.547 51.328 6.416 1.00 0.00 WT4 H ATOM 49930 OH2 TIP3 4965 59.000 75.663 50.670 1.00 0.00 WT4 O ATOM 49931 H1 TIP3 4965 59.188 74.857 50.189 1.00 0.00 WT4 H ATOM 49932 H2 TIP3 4965 58.082 75.850 50.473 1.00 0.00 WT4 H ATOM 49933 OH2 TIP3 4978 88.617 84.519 53.361 1.00 0.00 WT4 O ATOM 49934 H1 TIP3 4978 88.593 84.683 52.418 1.00 0.00 WT4 H ATOM 49935 H2 TIP3 4978 88.857 83.596 53.438 1.00 0.00 WT4 H ATOM 49936 OH2 TIP3 4980 72.427 54.927 24.429 1.00 0.00 WT4 O ATOM 49937 H1 TIP3 4980 71.915 54.155 24.186 1.00 0.00 WT4 H ATOM 49938 H2 TIP3 4980 72.166 55.597 23.796 1.00 0.00 WT4 H ATOM 49939 OH2 TIP3 4981 72.173 70.863 52.811 1.00 0.00 WT4 O ATOM 49940 H1 TIP3 4981 71.674 71.635 53.076 1.00 0.00 WT4 H ATOM 49941 H2 TIP3 4981 71.752 70.571 52.002 1.00 0.00 WT4 H ATOM 49942 OH2 TIP3 4982 69.918 10.193 53.030 1.00 0.00 WT4 O ATOM 49943 H1 TIP3 4982 69.469 10.753 52.396 1.00 0.00 WT4 H ATOM 49944 H2 TIP3 4982 70.207 10.793 53.718 1.00 0.00 WT4 H ATOM 49945 OH2 TIP3 4983 51.490 83.855 17.043 1.00 0.00 WT4 O ATOM 49946 H1 TIP3 4983 51.827 82.974 16.883 1.00 0.00 WT4 H ATOM 49947 H2 TIP3 4983 52.266 84.415 17.027 1.00 0.00 WT4 H ATOM 49948 OH2 TIP3 4985 55.245 25.495 50.789 1.00 0.00 WT4 O ATOM 49949 H1 TIP3 4985 54.331 25.637 50.544 1.00 0.00 WT4 H ATOM 49950 H2 TIP3 4985 55.738 26.109 50.244 1.00 0.00 WT4 H ATOM 49951 OH2 TIP3 4996 69.300 75.570 56.465 1.00 0.00 WT4 O ATOM 49952 H1 TIP3 4996 68.800 74.886 56.019 1.00 0.00 WT4 H ATOM 49953 H2 TIP3 4996 68.832 76.380 56.264 1.00 0.00 WT4 H ATOM 49954 OH2 TIP3 4998 38.691 95.999 53.151 1.00 0.00 WT4 O ATOM 49955 H1 TIP3 4998 39.521 95.752 53.559 1.00 0.00 WT4 H ATOM 49956 H2 TIP3 4998 38.902 96.772 52.628 1.00 0.00 WT4 H ATOM 49957 OH2 TIP3 4999 78.174 70.384 -6.597 1.00 0.00 WT4 O ATOM 49958 H1 TIP3 4999 78.679 70.842 -5.925 1.00 0.00 WT4 H ATOM 49959 H2 TIP3 4999 77.264 70.473 -6.315 1.00 0.00 WT4 H ATOM 49960 OH2 TIP3 5000 85.741 74.947 -10.715 1.00 0.00 WT4 O ATOM 49961 H1 TIP3 5000 86.411 75.149 -10.062 1.00 0.00 WT4 H ATOM 49962 H2 TIP3 5000 85.634 73.997 -10.663 1.00 0.00 WT4 H ATOM 49963 OH2 TIP3 5001 23.472 34.909 58.546 1.00 0.00 WT4 O ATOM 49964 H1 TIP3 5001 24.139 35.493 58.186 1.00 0.00 WT4 H ATOM 49965 H2 TIP3 5001 23.682 34.050 58.180 1.00 0.00 WT4 H ATOM 49966 OH2 TIP3 5002 89.804 74.649 53.145 1.00 0.00 WT4 O ATOM 49967 H1 TIP3 5002 90.092 74.771 54.050 1.00 0.00 WT4 H ATOM 49968 H2 TIP3 5002 90.533 74.195 52.721 1.00 0.00 WT4 H ATOM 49969 OH2 TIP3 5004 77.889 71.375 -10.629 1.00 0.00 WT4 O ATOM 49970 H1 TIP3 5004 77.370 71.663 -11.380 1.00 0.00 WT4 H ATOM 49971 H2 TIP3 5004 78.633 71.977 -10.606 1.00 0.00 WT4 H ATOM 49972 OH2 TIP3 5005 35.475 10.857 -13.365 1.00 0.00 WT4 O ATOM 49973 H1 TIP3 5005 36.299 10.489 -13.686 1.00 0.00 WT4 H ATOM 49974 H2 TIP3 5005 35.714 11.311 -12.557 1.00 0.00 WT4 H ATOM 49975 OH2 TIP3 5019 22.021 73.678 36.845 1.00 0.00 WT4 O ATOM 49976 H1 TIP3 5019 21.768 74.195 36.080 1.00 0.00 WT4 H ATOM 49977 H2 TIP3 5019 21.375 72.972 36.881 1.00 0.00 WT4 H ATOM 49978 OH2 TIP3 5021 54.580 90.781 42.420 1.00 0.00 WT4 O ATOM 49979 H1 TIP3 5021 55.015 91.632 42.482 1.00 0.00 WT4 H ATOM 49980 H2 TIP3 5021 54.700 90.516 41.508 1.00 0.00 WT4 H ATOM 49981 OH2 TIP3 5023 34.094 10.293 7.458 1.00 0.00 WT4 O ATOM 49982 H1 TIP3 5023 34.709 11.019 7.560 1.00 0.00 WT4 H ATOM 49983 H2 TIP3 5023 34.523 9.700 6.841 1.00 0.00 WT4 H ATOM 49984 OH2 TIP3 5025 21.329 54.653 -5.751 1.00 0.00 WT4 O ATOM 49985 H1 TIP3 5025 21.475 55.598 -5.727 1.00 0.00 WT4 H ATOM 49986 H2 TIP3 5025 20.528 54.521 -5.243 1.00 0.00 WT4 H ATOM 49987 OH2 TIP3 5043 63.152 17.473 -14.199 1.00 0.00 WT4 O ATOM 49988 H1 TIP3 5043 63.877 17.450 -14.824 1.00 0.00 WT4 H ATOM 49989 H2 TIP3 5043 62.428 17.046 -14.656 1.00 0.00 WT4 H ATOM 49990 OH2 TIP3 5044 52.844 78.176 59.331 1.00 0.00 WT4 O ATOM 49991 H1 TIP3 5044 53.033 78.200 60.270 1.00 0.00 WT4 H ATOM 49992 H2 TIP3 5044 53.517 77.600 58.967 1.00 0.00 WT4 H ATOM 49993 OH2 TIP3 5049 61.822 50.125 47.002 1.00 0.00 WT4 O ATOM 49994 H1 TIP3 5049 62.086 50.804 46.381 1.00 0.00 WT4 H ATOM 49995 H2 TIP3 5049 61.532 49.397 46.452 1.00 0.00 WT4 H ATOM 49996 OH2 TIP3 5060 43.589 58.711 0.822 1.00 0.00 WT4 O ATOM 49997 H1 TIP3 5060 44.272 58.049 0.717 1.00 0.00 WT4 H ATOM 49998 H2 TIP3 5060 44.043 59.467 1.194 1.00 0.00 WT4 H ATOM 49999 OH2 TIP3 5061 47.480 86.829 44.925 1.00 0.00 WT4 O ATOM 50000 H1 TIP3 5061 47.323 87.729 45.209 1.00 0.00 WT4 H ATOM 50001 H2 TIP3 5061 47.584 86.892 43.975 1.00 0.00 WT4 H ATOM 50002 OH2 TIP3 5063 40.400 87.891 33.020 1.00 0.00 WT4 O ATOM 50003 H1 TIP3 5063 39.910 87.671 33.813 1.00 0.00 WT4 H ATOM 50004 H2 TIP3 5063 39.734 88.192 32.402 1.00 0.00 WT4 H ATOM 50005 OH2 TIP3 5085 61.448 5.946 34.053 1.00 0.00 WT4 O ATOM 50006 H1 TIP3 5085 61.628 6.725 34.581 1.00 0.00 WT4 H ATOM 50007 H2 TIP3 5085 61.406 5.231 34.688 1.00 0.00 WT4 H ATOM 50008 OH2 TIP3 5088 76.783 92.002 41.855 1.00 0.00 WT4 O ATOM 50009 H1 TIP3 5088 76.605 91.236 42.400 1.00 0.00 WT4 H ATOM 50010 H2 TIP3 5088 76.147 92.656 42.145 1.00 0.00 WT4 H ATOM 50011 OH2 TIP3 5133 86.536 16.766 -0.568 1.00 0.00 WT4 O ATOM 50012 H1 TIP3 5133 87.373 16.337 -0.389 1.00 0.00 WT4 H ATOM 50013 H2 TIP3 5133 86.006 16.594 0.210 1.00 0.00 WT4 H ATOM 50014 OH2 TIP3 5134 34.254 4.539 63.136 1.00 0.00 WT4 O ATOM 50015 H1 TIP3 5134 34.074 4.125 63.981 1.00 0.00 WT4 H ATOM 50016 H2 TIP3 5134 34.217 5.478 63.317 1.00 0.00 WT4 H ATOM 50017 OH2 TIP3 5164 24.156 51.503 51.233 1.00 0.00 WT4 O ATOM 50018 H1 TIP3 5164 23.566 51.601 50.485 1.00 0.00 WT4 H ATOM 50019 H2 TIP3 5164 24.143 52.358 51.662 1.00 0.00 WT4 H ATOM 50020 OH2 TIP3 5166 47.199 60.892 -0.080 1.00 0.00 WT4 O ATOM 50021 H1 TIP3 5166 47.897 60.482 0.432 1.00 0.00 WT4 H ATOM 50022 H2 TIP3 5166 47.643 61.569 -0.591 1.00 0.00 WT4 H ATOM 50023 OH2 TIP3 5193 42.293 28.390 24.193 1.00 0.00 WT4 O ATOM 50024 H1 TIP3 5193 42.726 27.777 23.599 1.00 0.00 WT4 H ATOM 50025 H2 TIP3 5193 41.628 28.818 23.653 1.00 0.00 WT4 H ATOM 50026 OH2 TIP3 5234 65.499 29.022 -14.309 1.00 0.00 WT4 O ATOM 50027 H1 TIP3 5234 65.150 28.144 -14.463 1.00 0.00 WT4 H ATOM 50028 H2 TIP3 5234 64.851 29.442 -13.743 1.00 0.00 WT4 H ATOM 50029 OH2 TIP3 5251 59.950 35.254 -14.528 1.00 0.00 WT4 O ATOM 50030 H1 TIP3 5251 60.078 34.780 -13.706 1.00 0.00 WT4 H ATOM 50031 H2 TIP3 5251 59.830 36.166 -14.263 1.00 0.00 WT4 H ATOM 50032 OH2 TIP3 5259 53.051 63.346 44.600 1.00 0.00 WT4 O ATOM 50033 H1 TIP3 5259 53.546 62.530 44.669 1.00 0.00 WT4 H ATOM 50034 H2 TIP3 5259 52.791 63.393 43.680 1.00 0.00 WT4 H ATOM 50035 OH2 TIP3 5260 51.977 90.008 7.827 1.00 0.00 WT4 O ATOM 50036 H1 TIP3 5260 52.657 89.836 8.478 1.00 0.00 WT4 H ATOM 50037 H2 TIP3 5260 51.526 89.170 7.723 1.00 0.00 WT4 H ATOM 50038 OH2 TIP3 5271 69.967 77.559 27.564 1.00 0.00 WT4 O ATOM 50039 H1 TIP3 5271 70.641 77.947 27.006 1.00 0.00 WT4 H ATOM 50040 H2 TIP3 5271 69.142 77.894 27.211 1.00 0.00 WT4 H ATOM 50041 OH2 TIP3 5272 32.011 69.253 -3.112 1.00 0.00 WT4 O ATOM 50042 H1 TIP3 5272 32.217 68.912 -3.983 1.00 0.00 WT4 H ATOM 50043 H2 TIP3 5272 32.859 69.507 -2.747 1.00 0.00 WT4 H ATOM 50044 OH2 TIP3 5296 30.426 6.872 63.698 1.00 0.00 WT4 O ATOM 50045 H1 TIP3 5296 30.491 7.123 62.777 1.00 0.00 WT4 H ATOM 50046 H2 TIP3 5296 30.382 7.703 64.171 1.00 0.00 WT4 H ATOM 50047 OH2 TIP3 5304 36.634 49.346 -8.681 1.00 0.00 WT4 O ATOM 50048 H1 TIP3 5304 36.747 50.010 -9.361 1.00 0.00 WT4 H ATOM 50049 H2 TIP3 5304 37.314 49.544 -8.038 1.00 0.00 WT4 H ATOM 50050 OH2 TIP3 5317 72.787 76.159 28.333 1.00 0.00 WT4 O ATOM 50051 H1 TIP3 5317 72.216 76.927 28.314 1.00 0.00 WT4 H ATOM 50052 H2 TIP3 5317 72.435 75.615 29.037 1.00 0.00 WT4 H ATOM 50053 OH2 TIP3 5318 79.289 70.962 57.148 1.00 0.00 WT4 O ATOM 50054 H1 TIP3 5318 79.101 71.568 56.431 1.00 0.00 WT4 H ATOM 50055 H2 TIP3 5318 80.244 70.947 57.204 1.00 0.00 WT4 H ATOM 50056 OH2 TIP3 5319 61.339 66.155 56.837 1.00 0.00 WT4 O ATOM 50057 H1 TIP3 5319 61.668 66.459 55.991 1.00 0.00 WT4 H ATOM 50058 H2 TIP3 5319 60.612 65.574 56.617 1.00 0.00 WT4 H ATOM 50059 OH2 TIP3 5320 78.588 80.092 42.581 1.00 0.00 WT4 O ATOM 50060 H1 TIP3 5320 79.464 79.731 42.716 1.00 0.00 WT4 H ATOM 50061 H2 TIP3 5320 78.027 79.325 42.464 1.00 0.00 WT4 H ATOM 50062 OH2 TIP3 5332 57.376 47.392 42.842 1.00 0.00 WT4 O ATOM 50063 H1 TIP3 5332 57.820 48.227 42.987 1.00 0.00 WT4 H ATOM 50064 H2 TIP3 5332 56.666 47.601 42.235 1.00 0.00 WT4 H ATOM 50065 OH2 TIP3 5341 55.764 93.216 42.082 1.00 0.00 WT4 O ATOM 50066 H1 TIP3 5341 55.669 93.872 42.772 1.00 0.00 WT4 H ATOM 50067 H2 TIP3 5341 56.480 93.542 41.538 1.00 0.00 WT4 H ATOM 50068 OH2 TIP3 5357 67.797 80.182 -14.351 1.00 0.00 WT4 O ATOM 50069 H1 TIP3 5357 66.975 79.939 -14.777 1.00 0.00 WT4 H ATOM 50070 H2 TIP3 5357 68.147 79.357 -14.016 1.00 0.00 WT4 H ATOM 50071 OH2 TIP3 5358 31.895 69.004 -19.224 1.00 0.00 WT4 O ATOM 50072 H1 TIP3 5358 31.046 68.945 -18.786 1.00 0.00 WT4 H ATOM 50073 H2 TIP3 5358 31.712 69.466 -20.042 1.00 0.00 WT4 H ATOM 50074 OH2 TIP3 5359 33.647 69.295 16.071 1.00 0.00 WT4 O ATOM 50075 H1 TIP3 5359 34.280 68.583 16.164 1.00 0.00 WT4 H ATOM 50076 H2 TIP3 5359 33.656 69.736 16.921 1.00 0.00 WT4 H ATOM 50077 OH2 TIP3 5360 59.278 61.366 50.845 1.00 0.00 WT4 O ATOM 50078 H1 TIP3 5360 58.661 60.729 51.207 1.00 0.00 WT4 H ATOM 50079 H2 TIP3 5360 59.842 60.851 50.267 1.00 0.00 WT4 H ATOM 50080 OH2 TIP3 5363 63.599 51.841 55.332 1.00 0.00 WT4 O ATOM 50081 H1 TIP3 5363 62.866 51.771 54.720 1.00 0.00 WT4 H ATOM 50082 H2 TIP3 5363 64.328 52.157 54.798 1.00 0.00 WT4 H ATOM 50083 OH2 TIP3 5364 88.190 11.512 35.212 1.00 0.00 WT4 O ATOM 50084 H1 TIP3 5364 88.320 11.978 34.386 1.00 0.00 WT4 H ATOM 50085 H2 TIP3 5364 89.061 11.480 35.609 1.00 0.00 WT4 H ATOM 50086 OH2 TIP3 5375 42.992 76.368 -3.253 1.00 0.00 WT4 O ATOM 50087 H1 TIP3 5375 42.263 75.871 -3.625 1.00 0.00 WT4 H ATOM 50088 H2 TIP3 5375 43.665 75.711 -3.075 1.00 0.00 WT4 H ATOM 50089 OH2 TIP3 5377 33.922 57.130 38.261 1.00 0.00 WT4 O ATOM 50090 H1 TIP3 5377 33.301 57.553 38.853 1.00 0.00 WT4 H ATOM 50091 H2 TIP3 5377 34.583 57.801 38.088 1.00 0.00 WT4 H ATOM 50092 OH2 TIP3 5378 28.354 63.472 -19.022 1.00 0.00 WT4 O ATOM 50093 H1 TIP3 5378 27.476 63.167 -19.250 1.00 0.00 WT4 H ATOM 50094 H2 TIP3 5378 28.632 62.894 -18.312 1.00 0.00 WT4 H ATOM 50095 OH2 TIP3 5379 21.283 24.814 57.991 1.00 0.00 WT4 O ATOM 50096 H1 TIP3 5379 20.490 24.562 58.464 1.00 0.00 WT4 H ATOM 50097 H2 TIP3 5379 21.138 25.728 57.748 1.00 0.00 WT4 H ATOM 50098 OH2 TIP3 5380 82.047 42.672 22.771 1.00 0.00 WT4 O ATOM 50099 H1 TIP3 5380 81.196 43.058 22.563 1.00 0.00 WT4 H ATOM 50100 H2 TIP3 5380 82.480 43.327 23.318 1.00 0.00 WT4 H ATOM 50101 OH2 TIP3 5381 36.955 44.743 64.212 1.00 0.00 WT4 O ATOM 50102 H1 TIP3 5381 37.833 44.753 64.593 1.00 0.00 WT4 H ATOM 50103 H2 TIP3 5381 36.367 44.710 64.966 1.00 0.00 WT4 H ATOM 50104 OH2 TIP3 5382 82.674 83.155 0.986 1.00 0.00 WT4 O ATOM 50105 H1 TIP3 5382 83.196 82.980 1.769 1.00 0.00 WT4 H ATOM 50106 H2 TIP3 5382 83.064 83.943 0.609 1.00 0.00 WT4 H ATOM 50107 OH2 TIP3 5383 77.185 45.302 38.876 1.00 0.00 WT4 O ATOM 50108 H1 TIP3 5383 76.899 46.213 38.932 1.00 0.00 WT4 H ATOM 50109 H2 TIP3 5383 77.883 45.310 38.221 1.00 0.00 WT4 H ATOM 50110 OH2 TIP3 5384 26.795 46.523 -14.718 1.00 0.00 WT4 O ATOM 50111 H1 TIP3 5384 26.114 45.867 -14.571 1.00 0.00 WT4 H ATOM 50112 H2 TIP3 5384 27.482 46.302 -14.089 1.00 0.00 WT4 H ATOM 50113 OH2 TIP3 5385 23.443 14.219 47.868 1.00 0.00 WT4 O ATOM 50114 H1 TIP3 5385 24.107 13.557 47.672 1.00 0.00 WT4 H ATOM 50115 H2 TIP3 5385 22.637 13.870 47.488 1.00 0.00 WT4 H ATOM 50116 OH2 TIP3 5393 48.350 28.291 -10.422 1.00 0.00 WT4 O ATOM 50117 H1 TIP3 5393 49.220 27.892 -10.433 1.00 0.00 WT4 H ATOM 50118 H2 TIP3 5393 48.177 28.464 -9.496 1.00 0.00 WT4 H ATOM 50119 OH2 TIP3 5396 55.484 95.939 43.631 1.00 0.00 WT4 O ATOM 50120 H1 TIP3 5396 54.663 96.427 43.561 1.00 0.00 WT4 H ATOM 50121 H2 TIP3 5396 55.966 96.165 42.836 1.00 0.00 WT4 H ATOM 50122 OH2 TIP3 5399 64.910 91.201 -1.955 1.00 0.00 WT4 O ATOM 50123 H1 TIP3 5399 64.565 91.260 -2.846 1.00 0.00 WT4 H ATOM 50124 H2 TIP3 5399 64.179 91.465 -1.396 1.00 0.00 WT4 H ATOM 50125 OH2 TIP3 5400 68.326 36.648 13.614 1.00 0.00 WT4 O ATOM 50126 H1 TIP3 5400 67.763 36.465 14.367 1.00 0.00 WT4 H ATOM 50127 H2 TIP3 5400 67.851 37.312 13.115 1.00 0.00 WT4 H ATOM 50128 OH2 TIP3 5402 54.180 7.864 19.553 1.00 0.00 WT4 O ATOM 50129 H1 TIP3 5402 53.581 8.422 19.057 1.00 0.00 WT4 H ATOM 50130 H2 TIP3 5402 55.016 7.941 19.094 1.00 0.00 WT4 H ATOM 50131 OH2 TIP3 5404 62.250 79.258 61.603 1.00 0.00 WT4 O ATOM 50132 H1 TIP3 5404 62.817 78.498 61.729 1.00 0.00 WT4 H ATOM 50133 H2 TIP3 5404 62.850 80.004 61.574 1.00 0.00 WT4 H ATOM 50134 OH2 TIP3 5418 60.507 89.090 16.576 1.00 0.00 WT4 O ATOM 50135 H1 TIP3 5418 61.080 89.773 16.228 1.00 0.00 WT4 H ATOM 50136 H2 TIP3 5418 61.105 88.431 16.929 1.00 0.00 WT4 H ATOM 50137 OH2 TIP3 5419 74.487 81.515 0.192 1.00 0.00 WT4 O ATOM 50138 H1 TIP3 5419 74.067 81.169 -0.595 1.00 0.00 WT4 H ATOM 50139 H2 TIP3 5419 75.425 81.402 0.032 1.00 0.00 WT4 H ATOM 50140 OH2 TIP3 5420 78.372 85.082 30.228 1.00 0.00 WT4 O ATOM 50141 H1 TIP3 5420 77.812 85.732 29.803 1.00 0.00 WT4 H ATOM 50142 H2 TIP3 5420 79.207 85.144 29.763 1.00 0.00 WT4 H ATOM 50143 OH2 TIP3 5421 62.257 58.563 16.709 1.00 0.00 WT4 O ATOM 50144 H1 TIP3 5421 61.656 59.081 17.244 1.00 0.00 WT4 H ATOM 50145 H2 TIP3 5421 61.796 57.737 16.562 1.00 0.00 WT4 H ATOM 50146 OH2 TIP3 5422 36.031 21.772 50.880 1.00 0.00 WT4 O ATOM 50147 H1 TIP3 5422 36.112 21.783 51.833 1.00 0.00 WT4 H ATOM 50148 H2 TIP3 5422 36.860 21.406 50.572 1.00 0.00 WT4 H ATOM 50149 OH2 TIP3 5426 50.165 95.201 50.334 1.00 0.00 WT4 O ATOM 50150 H1 TIP3 5426 50.586 95.193 49.474 1.00 0.00 WT4 H ATOM 50151 H2 TIP3 5426 49.695 96.034 50.363 1.00 0.00 WT4 H ATOM 50152 OH2 TIP3 5430 25.986 82.038 3.429 1.00 0.00 WT4 O ATOM 50153 H1 TIP3 5430 25.213 81.787 3.933 1.00 0.00 WT4 H ATOM 50154 H2 TIP3 5430 26.697 82.050 4.070 1.00 0.00 WT4 H ATOM 50155 OH2 TIP3 5434 35.696 1.756 39.358 1.00 0.00 WT4 O ATOM 50156 H1 TIP3 5434 35.256 0.970 39.036 1.00 0.00 WT4 H ATOM 50157 H2 TIP3 5434 36.299 1.999 38.655 1.00 0.00 WT4 H ATOM 50158 OH2 TIP3 5440 35.590 66.129 54.595 1.00 0.00 WT4 O ATOM 50159 H1 TIP3 5440 36.394 65.945 54.108 1.00 0.00 WT4 H ATOM 50160 H2 TIP3 5440 35.103 66.732 54.034 1.00 0.00 WT4 H ATOM 50161 OH2 TIP3 5442 68.190 83.679 30.758 1.00 0.00 WT4 O ATOM 50162 H1 TIP3 5442 67.308 83.600 30.393 1.00 0.00 WT4 H ATOM 50163 H2 TIP3 5442 68.490 84.543 30.477 1.00 0.00 WT4 H ATOM 50164 OH2 TIP3 5443 42.662 79.003 -12.572 1.00 0.00 WT4 O ATOM 50165 H1 TIP3 5443 42.498 79.823 -12.106 1.00 0.00 WT4 H ATOM 50166 H2 TIP3 5443 42.401 78.320 -11.954 1.00 0.00 WT4 H ATOM 50167 OH2 TIP3 5444 35.512 5.661 45.674 1.00 0.00 WT4 O ATOM 50168 H1 TIP3 5444 35.551 5.022 44.962 1.00 0.00 WT4 H ATOM 50169 H2 TIP3 5444 35.903 6.454 45.306 1.00 0.00 WT4 H ATOM 50170 OH2 TIP3 5446 75.502 82.512 45.250 1.00 0.00 WT4 O ATOM 50171 H1 TIP3 5446 76.412 82.551 44.958 1.00 0.00 WT4 H ATOM 50172 H2 TIP3 5446 75.433 83.197 45.915 1.00 0.00 WT4 H ATOM 50173 OH2 TIP3 5460 69.299 68.038 -4.433 1.00 0.00 WT4 O ATOM 50174 H1 TIP3 5460 69.117 67.100 -4.372 1.00 0.00 WT4 H ATOM 50175 H2 TIP3 5460 68.435 68.450 -4.451 1.00 0.00 WT4 H ATOM 50176 OH2 TIP3 5461 26.009 52.309 42.754 1.00 0.00 WT4 O ATOM 50177 H1 TIP3 5461 26.885 52.317 43.140 1.00 0.00 WT4 H ATOM 50178 H2 TIP3 5461 26.119 52.731 41.902 1.00 0.00 WT4 H ATOM 50179 OH2 TIP3 5462 47.890 59.699 58.152 1.00 0.00 WT4 O ATOM 50180 H1 TIP3 5462 48.135 59.334 57.302 1.00 0.00 WT4 H ATOM 50181 H2 TIP3 5462 47.170 60.300 57.956 1.00 0.00 WT4 H ATOM 50182 OH2 TIP3 5463 89.594 60.591 11.472 1.00 0.00 WT4 O ATOM 50183 H1 TIP3 5463 88.720 60.879 11.208 1.00 0.00 WT4 H ATOM 50184 H2 TIP3 5463 89.446 60.065 12.257 1.00 0.00 WT4 H ATOM 50185 OH2 TIP3 5464 69.966 79.643 8.379 1.00 0.00 WT4 O ATOM 50186 H1 TIP3 5464 69.609 78.756 8.426 1.00 0.00 WT4 H ATOM 50187 H2 TIP3 5464 69.430 80.083 7.720 1.00 0.00 WT4 H ATOM 50188 OH2 TIP3 5466 35.738 6.747 36.372 1.00 0.00 WT4 O ATOM 50189 H1 TIP3 5466 35.531 7.573 35.934 1.00 0.00 WT4 H ATOM 50190 H2 TIP3 5466 35.142 6.110 35.977 1.00 0.00 WT4 H ATOM 50191 OH2 TIP3 5481 27.146 62.444 49.474 1.00 0.00 WT4 O ATOM 50192 H1 TIP3 5481 26.471 62.684 50.108 1.00 0.00 WT4 H ATOM 50193 H2 TIP3 5481 27.395 61.552 49.715 1.00 0.00 WT4 H ATOM 50194 OH2 TIP3 5482 28.152 92.183 45.316 1.00 0.00 WT4 O ATOM 50195 H1 TIP3 5482 28.285 92.993 44.823 1.00 0.00 WT4 H ATOM 50196 H2 TIP3 5482 29.008 91.754 45.306 1.00 0.00 WT4 H ATOM 50197 OH2 TIP3 5484 38.738 56.626 37.952 1.00 0.00 WT4 O ATOM 50198 H1 TIP3 5484 38.868 57.554 38.147 1.00 0.00 WT4 H ATOM 50199 H2 TIP3 5484 39.617 56.248 37.985 1.00 0.00 WT4 H ATOM 50200 OH2 TIP3 5487 73.715 83.379 5.720 1.00 0.00 WT4 O ATOM 50201 H1 TIP3 5487 72.835 83.099 5.972 1.00 0.00 WT4 H ATOM 50202 H2 TIP3 5487 73.858 84.189 6.208 1.00 0.00 WT4 H ATOM 50203 OH2 TIP3 5504 86.772 47.638 -3.371 1.00 0.00 WT4 O ATOM 50204 H1 TIP3 5504 87.183 48.156 -2.678 1.00 0.00 WT4 H ATOM 50205 H2 TIP3 5504 85.962 48.107 -3.573 1.00 0.00 WT4 H ATOM 50206 OH2 TIP3 5526 83.503 81.134 50.140 1.00 0.00 WT4 O ATOM 50207 H1 TIP3 5526 83.972 81.829 50.603 1.00 0.00 WT4 H ATOM 50208 H2 TIP3 5526 84.109 80.393 50.142 1.00 0.00 WT4 H ATOM 50209 OH2 TIP3 5528 75.003 66.247 -19.327 1.00 0.00 WT4 O ATOM 50210 H1 TIP3 5528 75.509 66.991 -19.655 1.00 0.00 WT4 H ATOM 50211 H2 TIP3 5528 75.547 65.483 -19.521 1.00 0.00 WT4 H ATOM 50212 OH2 TIP3 5553 66.749 90.333 66.362 1.00 0.00 WT4 O ATOM 50213 H1 TIP3 5553 66.728 89.981 65.472 1.00 0.00 WT4 H ATOM 50214 H2 TIP3 5553 67.321 91.098 66.305 1.00 0.00 WT4 H ATOM 50215 OH2 TIP3 5650 36.177 60.645 51.789 1.00 0.00 WT4 O ATOM 50216 H1 TIP3 5650 36.446 61.117 51.001 1.00 0.00 WT4 H ATOM 50217 H2 TIP3 5650 36.952 60.144 52.044 1.00 0.00 WT4 H ATOM 50218 OH2 TIP3 5654 73.629 63.041 62.400 1.00 0.00 WT4 O ATOM 50219 H1 TIP3 5654 72.737 63.326 62.199 1.00 0.00 WT4 H ATOM 50220 H2 TIP3 5654 74.119 63.200 61.593 1.00 0.00 WT4 H ATOM 50221 OH2 TIP3 5669 81.404 86.514 -11.814 1.00 0.00 WT4 O ATOM 50222 H1 TIP3 5669 82.003 86.830 -12.490 1.00 0.00 WT4 H ATOM 50223 H2 TIP3 5669 80.624 87.060 -11.910 1.00 0.00 WT4 H ATOM 50224 OH2 TIP3 5676 87.140 34.993 64.418 1.00 0.00 WT4 O ATOM 50225 H1 TIP3 5676 87.090 34.102 64.070 1.00 0.00 WT4 H ATOM 50226 H2 TIP3 5676 87.197 35.551 63.643 1.00 0.00 WT4 H ATOM 50227 OH2 TIP3 5678 77.545 65.204 24.758 1.00 0.00 WT4 O ATOM 50228 H1 TIP3 5678 76.808 65.719 25.088 1.00 0.00 WT4 H ATOM 50229 H2 TIP3 5678 78.179 65.856 24.461 1.00 0.00 WT4 H ATOM 50230 OH2 TIP3 5679 51.527 30.109 41.961 1.00 0.00 WT4 O ATOM 50231 H1 TIP3 5679 51.097 30.603 41.263 1.00 0.00 WT4 H ATOM 50232 H2 TIP3 5679 51.137 30.445 42.768 1.00 0.00 WT4 H ATOM 50233 OH2 TIP3 5690 42.198 89.528 -4.395 1.00 0.00 WT4 O ATOM 50234 H1 TIP3 5690 43.069 89.861 -4.181 1.00 0.00 WT4 H ATOM 50235 H2 TIP3 5690 41.609 90.259 -4.211 1.00 0.00 WT4 H ATOM 50236 OH2 TIP3 5692 85.515 82.897 51.001 1.00 0.00 WT4 O ATOM 50237 H1 TIP3 5692 86.353 82.466 51.171 1.00 0.00 WT4 H ATOM 50238 H2 TIP3 5692 85.629 83.314 50.147 1.00 0.00 WT4 H ATOM 50239 OH2 TIP3 5697 69.835 2.789 5.691 1.00 0.00 WT4 O ATOM 50240 H1 TIP3 5697 69.944 3.036 4.773 1.00 0.00 WT4 H ATOM 50241 H2 TIP3 5697 70.256 3.496 6.181 1.00 0.00 WT4 H ATOM 50242 OH2 TIP3 5710 48.995 71.951 47.390 1.00 0.00 WT4 O ATOM 50243 H1 TIP3 5710 48.773 71.311 46.714 1.00 0.00 WT4 H ATOM 50244 H2 TIP3 5710 48.848 71.489 48.216 1.00 0.00 WT4 H ATOM 50245 OH2 TIP3 5711 39.181 13.407 26.847 1.00 0.00 WT4 O ATOM 50246 H1 TIP3 5711 38.437 13.854 27.250 1.00 0.00 WT4 H ATOM 50247 H2 TIP3 5711 38.994 12.475 26.966 1.00 0.00 WT4 H ATOM 50248 OH2 TIP3 5713 50.409 85.427 -5.785 1.00 0.00 WT4 O ATOM 50249 H1 TIP3 5713 49.511 85.689 -5.987 1.00 0.00 WT4 H ATOM 50250 H2 TIP3 5713 50.390 85.202 -4.855 1.00 0.00 WT4 H ATOM 50251 OH2 TIP3 5714 66.988 4.175 -14.542 1.00 0.00 WT4 O ATOM 50252 H1 TIP3 5714 66.370 4.878 -14.743 1.00 0.00 WT4 H ATOM 50253 H2 TIP3 5714 67.491 4.503 -13.797 1.00 0.00 WT4 H ATOM 50254 OH2 TIP3 5715 87.271 84.460 30.701 1.00 0.00 WT4 O ATOM 50255 H1 TIP3 5715 86.505 84.822 30.255 1.00 0.00 WT4 H ATOM 50256 H2 TIP3 5715 87.770 84.028 30.009 1.00 0.00 WT4 H ATOM 50257 OH2 TIP3 5720 20.941 0.854 -2.403 1.00 0.00 WT4 O ATOM 50258 H1 TIP3 5720 21.388 1.194 -1.627 1.00 0.00 WT4 H ATOM 50259 H2 TIP3 5720 21.478 1.150 -3.138 1.00 0.00 WT4 H ATOM 50260 OH2 TIP3 5734 74.560 27.582 53.443 1.00 0.00 WT4 O ATOM 50261 H1 TIP3 5734 73.674 27.564 53.805 1.00 0.00 WT4 H ATOM 50262 H2 TIP3 5734 74.513 28.213 52.725 1.00 0.00 WT4 H ATOM 50263 OH2 TIP3 5736 35.951 69.431 -9.798 1.00 0.00 WT4 O ATOM 50264 H1 TIP3 5736 36.300 70.123 -9.236 1.00 0.00 WT4 H ATOM 50265 H2 TIP3 5736 36.576 68.712 -9.710 1.00 0.00 WT4 H ATOM 50266 OH2 TIP3 5738 21.362 71.765 -14.558 1.00 0.00 WT4 O ATOM 50267 H1 TIP3 5738 22.081 71.798 -13.927 1.00 0.00 WT4 H ATOM 50268 H2 TIP3 5738 20.609 72.118 -14.084 1.00 0.00 WT4 H ATOM 50269 OH2 TIP3 5755 76.451 56.752 49.042 1.00 0.00 WT4 O ATOM 50270 H1 TIP3 5755 75.541 56.838 48.756 1.00 0.00 WT4 H ATOM 50271 H2 TIP3 5755 76.774 55.976 48.585 1.00 0.00 WT4 H ATOM 50272 OH2 TIP3 5756 38.959 89.201 35.370 1.00 0.00 WT4 O ATOM 50273 H1 TIP3 5756 38.851 89.441 36.291 1.00 0.00 WT4 H ATOM 50274 H2 TIP3 5756 39.904 89.090 35.261 1.00 0.00 WT4 H ATOM 50275 OH2 TIP3 5758 54.209 66.638 -19.090 1.00 0.00 WT4 O ATOM 50276 H1 TIP3 5758 55.085 66.251 -19.099 1.00 0.00 WT4 H ATOM 50277 H2 TIP3 5758 54.320 67.493 -19.506 1.00 0.00 WT4 H ATOM 50278 OH2 TIP3 5762 50.213 44.639 23.161 1.00 0.00 WT4 O ATOM 50279 H1 TIP3 5762 50.919 44.379 22.569 1.00 0.00 WT4 H ATOM 50280 H2 TIP3 5762 49.429 44.642 22.612 1.00 0.00 WT4 H ATOM 50281 OH2 TIP3 5764 65.834 9.883 -10.615 1.00 0.00 WT4 O ATOM 50282 H1 TIP3 5764 66.608 9.321 -10.653 1.00 0.00 WT4 H ATOM 50283 H2 TIP3 5764 65.146 9.320 -10.259 1.00 0.00 WT4 H ATOM 50284 OH2 TIP3 5767 72.801 74.539 7.718 1.00 0.00 WT4 O ATOM 50285 H1 TIP3 5767 72.858 73.749 8.255 1.00 0.00 WT4 H ATOM 50286 H2 TIP3 5767 73.705 74.717 7.457 1.00 0.00 WT4 H ATOM 50287 OH2 TIP3 5768 24.781 35.892 -0.554 1.00 0.00 WT4 O ATOM 50288 H1 TIP3 5768 25.675 35.920 -0.894 1.00 0.00 WT4 H ATOM 50289 H2 TIP3 5768 24.869 35.516 0.322 1.00 0.00 WT4 H ATOM 50290 OH2 TIP3 5777 70.423 50.321 55.079 1.00 0.00 WT4 O ATOM 50291 H1 TIP3 5777 70.474 50.188 54.132 1.00 0.00 WT4 H ATOM 50292 H2 TIP3 5777 70.485 49.440 55.449 1.00 0.00 WT4 H ATOM 50293 OH2 TIP3 5778 24.793 77.440 40.354 1.00 0.00 WT4 O ATOM 50294 H1 TIP3 5778 24.674 76.513 40.558 1.00 0.00 WT4 H ATOM 50295 H2 TIP3 5778 25.162 77.817 41.153 1.00 0.00 WT4 H ATOM 50296 OH2 TIP3 5779 75.225 72.572 3.359 1.00 0.00 WT4 O ATOM 50297 H1 TIP3 5779 74.993 72.867 2.479 1.00 0.00 WT4 H ATOM 50298 H2 TIP3 5779 75.730 73.295 3.730 1.00 0.00 WT4 H ATOM 50299 OH2 TIP3 5780 35.808 32.529 4.947 1.00 0.00 WT4 O ATOM 50300 H1 TIP3 5780 35.703 33.472 5.074 1.00 0.00 WT4 H ATOM 50301 H2 TIP3 5780 35.495 32.140 5.764 1.00 0.00 WT4 H ATOM 50302 OH2 TIP3 5795 46.711 61.020 63.367 1.00 0.00 WT4 O ATOM 50303 H1 TIP3 5795 46.761 61.236 64.298 1.00 0.00 WT4 H ATOM 50304 H2 TIP3 5795 45.779 60.876 63.203 1.00 0.00 WT4 H ATOM 50305 OH2 TIP3 5797 73.114 76.559 32.774 1.00 0.00 WT4 O ATOM 50306 H1 TIP3 5797 73.119 75.647 32.482 1.00 0.00 WT4 H ATOM 50307 H2 TIP3 5797 74.036 76.766 32.929 1.00 0.00 WT4 H ATOM 50308 OH2 TIP3 5798 87.435 84.148 22.166 1.00 0.00 WT4 O ATOM 50309 H1 TIP3 5798 86.786 84.648 22.662 1.00 0.00 WT4 H ATOM 50310 H2 TIP3 5798 87.518 84.620 21.337 1.00 0.00 WT4 H ATOM 50311 OH2 TIP3 5799 75.673 4.123 7.031 1.00 0.00 WT4 O ATOM 50312 H1 TIP3 5799 76.551 3.906 7.345 1.00 0.00 WT4 H ATOM 50313 H2 TIP3 5799 75.181 3.306 7.112 1.00 0.00 WT4 H ATOM 50314 OH2 TIP3 5800 88.381 51.809 51.327 1.00 0.00 WT4 O ATOM 50315 H1 TIP3 5800 88.064 51.279 50.596 1.00 0.00 WT4 H ATOM 50316 H2 TIP3 5800 89.335 51.737 51.279 1.00 0.00 WT4 H ATOM 50317 OH2 TIP3 5801 87.805 68.735 -6.980 1.00 0.00 WT4 O ATOM 50318 H1 TIP3 5801 87.433 69.122 -6.187 1.00 0.00 WT4 H ATOM 50319 H2 TIP3 5801 88.706 69.059 -7.005 1.00 0.00 WT4 H ATOM 50320 OH2 TIP3 5802 81.393 64.685 56.981 1.00 0.00 WT4 O ATOM 50321 H1 TIP3 5802 81.770 64.575 57.854 1.00 0.00 WT4 H ATOM 50322 H2 TIP3 5802 81.954 64.161 56.409 1.00 0.00 WT4 H ATOM 50323 OH2 TIP3 5818 27.208 9.181 6.024 1.00 0.00 WT4 O ATOM 50324 H1 TIP3 5818 27.661 9.401 5.210 1.00 0.00 WT4 H ATOM 50325 H2 TIP3 5818 26.527 9.848 6.107 1.00 0.00 WT4 H ATOM 50326 OH2 TIP3 5819 81.459 3.702 53.738 1.00 0.00 WT4 O ATOM 50327 H1 TIP3 5819 81.998 4.251 53.168 1.00 0.00 WT4 H ATOM 50328 H2 TIP3 5819 81.908 2.857 53.751 1.00 0.00 WT4 H ATOM 50329 OH2 TIP3 5820 55.363 87.833 58.530 1.00 0.00 WT4 O ATOM 50330 H1 TIP3 5820 54.493 88.146 58.285 1.00 0.00 WT4 H ATOM 50331 H2 TIP3 5820 55.897 88.626 58.586 1.00 0.00 WT4 H ATOM 50332 OH2 TIP3 5821 89.306 89.593 27.893 1.00 0.00 WT4 O ATOM 50333 H1 TIP3 5821 88.510 89.062 27.855 1.00 0.00 WT4 H ATOM 50334 H2 TIP3 5821 89.015 90.479 27.677 1.00 0.00 WT4 H ATOM 50335 OH2 TIP3 5823 85.154 72.157 52.447 1.00 0.00 WT4 O ATOM 50336 H1 TIP3 5823 85.701 71.964 53.210 1.00 0.00 WT4 H ATOM 50337 H2 TIP3 5823 84.261 71.984 52.743 1.00 0.00 WT4 H ATOM 50338 OH2 TIP3 5828 51.584 76.097 -1.395 1.00 0.00 WT4 O ATOM 50339 H1 TIP3 5828 51.879 75.186 -1.394 1.00 0.00 WT4 H ATOM 50340 H2 TIP3 5828 51.998 76.484 -0.624 1.00 0.00 WT4 H ATOM 50341 OH2 TIP3 5836 29.215 4.713 59.224 1.00 0.00 WT4 O ATOM 50342 H1 TIP3 5836 28.723 3.984 59.601 1.00 0.00 WT4 H ATOM 50343 H2 TIP3 5836 29.977 4.303 58.814 1.00 0.00 WT4 H ATOM 50344 OH2 TIP3 5837 56.396 89.964 54.704 1.00 0.00 WT4 O ATOM 50345 H1 TIP3 5837 57.052 89.266 54.697 1.00 0.00 WT4 H ATOM 50346 H2 TIP3 5837 56.778 90.657 54.166 1.00 0.00 WT4 H ATOM 50347 OH2 TIP3 5839 20.827 15.514 52.222 1.00 0.00 WT4 O ATOM 50348 H1 TIP3 5839 21.323 15.856 51.478 1.00 0.00 WT4 H ATOM 50349 H2 TIP3 5839 20.705 16.269 52.797 1.00 0.00 WT4 H ATOM 50350 OH2 TIP3 5840 28.450 93.674 47.737 1.00 0.00 WT4 O ATOM 50351 H1 TIP3 5840 28.628 94.580 47.484 1.00 0.00 WT4 H ATOM 50352 H2 TIP3 5840 28.457 93.189 46.912 1.00 0.00 WT4 H ATOM 50353 OH2 TIP3 5841 85.622 95.586 -12.097 1.00 0.00 WT4 O ATOM 50354 H1 TIP3 5841 85.171 95.500 -11.257 1.00 0.00 WT4 H ATOM 50355 H2 TIP3 5841 86.472 95.168 -11.957 1.00 0.00 WT4 H ATOM 50356 OH2 TIP3 5843 82.105 95.709 55.241 1.00 0.00 WT4 O ATOM 50357 H1 TIP3 5843 82.314 96.515 55.712 1.00 0.00 WT4 H ATOM 50358 H2 TIP3 5843 81.695 96.005 54.428 1.00 0.00 WT4 H ATOM 50359 OH2 TIP3 5844 85.936 13.792 52.455 1.00 0.00 WT4 O ATOM 50360 H1 TIP3 5844 86.745 13.410 52.115 1.00 0.00 WT4 H ATOM 50361 H2 TIP3 5844 86.207 14.625 52.842 1.00 0.00 WT4 H ATOM 50362 OH2 TIP3 5846 50.166 70.839 33.526 1.00 0.00 WT4 O ATOM 50363 H1 TIP3 5846 50.864 71.421 33.827 1.00 0.00 WT4 H ATOM 50364 H2 TIP3 5846 50.601 70.235 32.923 1.00 0.00 WT4 H ATOM 50365 OH2 TIP3 5859 57.418 48.719 53.852 1.00 0.00 WT4 O ATOM 50366 H1 TIP3 5859 58.273 48.779 53.426 1.00 0.00 WT4 H ATOM 50367 H2 TIP3 5859 56.817 49.154 53.247 1.00 0.00 WT4 H ATOM 50368 OH2 TIP3 5860 45.851 80.208 -0.419 1.00 0.00 WT4 O ATOM 50369 H1 TIP3 5860 46.775 80.229 -0.172 1.00 0.00 WT4 H ATOM 50370 H2 TIP3 5860 45.838 79.758 -1.264 1.00 0.00 WT4 H ATOM 50371 OH2 TIP3 5861 59.414 87.675 49.967 1.00 0.00 WT4 O ATOM 50372 H1 TIP3 5861 59.939 88.314 50.449 1.00 0.00 WT4 H ATOM 50373 H2 TIP3 5861 60.012 86.945 49.807 1.00 0.00 WT4 H ATOM 50374 OH2 TIP3 5862 26.212 33.983 23.826 1.00 0.00 WT4 O ATOM 50375 H1 TIP3 5862 26.368 34.563 24.570 1.00 0.00 WT4 H ATOM 50376 H2 TIP3 5862 26.893 34.214 23.195 1.00 0.00 WT4 H ATOM 50377 OH2 TIP3 5863 58.362 91.351 -8.060 1.00 0.00 WT4 O ATOM 50378 H1 TIP3 5863 58.271 90.406 -7.939 1.00 0.00 WT4 H ATOM 50379 H2 TIP3 5863 59.248 91.548 -7.756 1.00 0.00 WT4 H ATOM 50380 OH2 TIP3 5865 74.637 53.531 -16.273 1.00 0.00 WT4 O ATOM 50381 H1 TIP3 5865 74.646 53.566 -17.229 1.00 0.00 WT4 H ATOM 50382 H2 TIP3 5865 74.133 52.744 -16.066 1.00 0.00 WT4 H ATOM 50383 OH2 TIP3 5866 65.807 79.923 10.063 1.00 0.00 WT4 O ATOM 50384 H1 TIP3 5866 66.200 79.051 10.094 1.00 0.00 WT4 H ATOM 50385 H2 TIP3 5866 65.364 80.017 10.907 1.00 0.00 WT4 H ATOM 50386 OH2 TIP3 5869 44.018 69.939 27.335 1.00 0.00 WT4 O ATOM 50387 H1 TIP3 5869 44.891 69.862 26.952 1.00 0.00 WT4 H ATOM 50388 H2 TIP3 5869 44.175 70.011 28.277 1.00 0.00 WT4 H ATOM 50389 OH2 TIP3 5881 28.502 36.068 25.171 1.00 0.00 WT4 O ATOM 50390 H1 TIP3 5881 28.152 36.715 24.560 1.00 0.00 WT4 H ATOM 50391 H2 TIP3 5881 29.210 35.641 24.689 1.00 0.00 WT4 H ATOM 50392 OH2 TIP3 5883 30.968 41.431 60.314 1.00 0.00 WT4 O ATOM 50393 H1 TIP3 5883 31.302 42.296 60.552 1.00 0.00 WT4 H ATOM 50394 H2 TIP3 5883 31.752 40.896 60.192 1.00 0.00 WT4 H ATOM 50395 OH2 TIP3 5884 22.158 0.797 47.270 1.00 0.00 WT4 O ATOM 50396 H1 TIP3 5884 22.744 0.407 47.918 1.00 0.00 WT4 H ATOM 50397 H2 TIP3 5884 21.651 0.059 46.930 1.00 0.00 WT4 H ATOM 50398 OH2 TIP3 5886 44.112 53.499 -6.587 1.00 0.00 WT4 O ATOM 50399 H1 TIP3 5886 43.611 53.342 -7.387 1.00 0.00 WT4 H ATOM 50400 H2 TIP3 5886 44.884 53.983 -6.879 1.00 0.00 WT4 H ATOM 50401 OH2 TIP3 5887 55.724 9.208 10.168 1.00 0.00 WT4 O ATOM 50402 H1 TIP3 5887 54.807 9.088 9.922 1.00 0.00 WT4 H ATOM 50403 H2 TIP3 5887 55.948 8.414 10.654 1.00 0.00 WT4 H ATOM 50404 OH2 TIP3 5889 62.128 14.193 33.138 1.00 0.00 WT4 O ATOM 50405 H1 TIP3 5889 62.383 14.136 32.217 1.00 0.00 WT4 H ATOM 50406 H2 TIP3 5889 61.179 14.066 33.133 1.00 0.00 WT4 H ATOM 50407 OH2 TIP3 5899 31.493 14.599 51.061 1.00 0.00 WT4 O ATOM 50408 H1 TIP3 5899 30.766 15.182 50.844 1.00 0.00 WT4 H ATOM 50409 H2 TIP3 5899 32.255 15.000 50.644 1.00 0.00 WT4 H ATOM 50410 OH2 TIP3 5901 47.243 62.557 9.034 1.00 0.00 WT4 O ATOM 50411 H1 TIP3 5901 47.628 62.768 9.884 1.00 0.00 WT4 H ATOM 50412 H2 TIP3 5901 47.614 61.704 8.807 1.00 0.00 WT4 H ATOM 50413 OH2 TIP3 5903 78.927 92.900 29.559 1.00 0.00 WT4 O ATOM 50414 H1 TIP3 5903 78.428 93.701 29.718 1.00 0.00 WT4 H ATOM 50415 H2 TIP3 5903 79.497 92.817 30.323 1.00 0.00 WT4 H ATOM 50416 OH2 TIP3 5905 82.139 6.339 -10.154 1.00 0.00 WT4 O ATOM 50417 H1 TIP3 5905 82.483 5.640 -10.710 1.00 0.00 WT4 H ATOM 50418 H2 TIP3 5905 82.712 6.341 -9.388 1.00 0.00 WT4 H ATOM 50419 OH2 TIP3 5906 36.008 85.356 53.577 1.00 0.00 WT4 O ATOM 50420 H1 TIP3 5906 35.112 85.569 53.837 1.00 0.00 WT4 H ATOM 50421 H2 TIP3 5906 36.400 86.199 53.353 1.00 0.00 WT4 H ATOM 50422 OH2 TIP3 5909 40.313 40.363 45.896 1.00 0.00 WT4 O ATOM 50423 H1 TIP3 5909 39.394 40.525 46.110 1.00 0.00 WT4 H ATOM 50424 H2 TIP3 5909 40.402 39.411 45.925 1.00 0.00 WT4 H ATOM 50425 OH2 TIP3 5911 75.751 30.383 -17.299 1.00 0.00 WT4 O ATOM 50426 H1 TIP3 5911 76.371 30.329 -18.026 1.00 0.00 WT4 H ATOM 50427 H2 TIP3 5911 75.689 31.318 -17.105 1.00 0.00 WT4 H ATOM 50428 OH2 TIP3 5920 90.531 84.497 -2.240 1.00 0.00 WT4 O ATOM 50429 H1 TIP3 5920 90.076 85.158 -2.763 1.00 0.00 WT4 H ATOM 50430 H2 TIP3 5920 91.009 85.000 -1.580 1.00 0.00 WT4 H ATOM 50431 OH2 TIP3 5926 85.244 86.629 47.013 1.00 0.00 WT4 O ATOM 50432 H1 TIP3 5926 84.735 87.225 46.464 1.00 0.00 WT4 H ATOM 50433 H2 TIP3 5926 85.674 86.040 46.393 1.00 0.00 WT4 H ATOM 50434 OH2 TIP3 5945 57.103 6.275 56.590 1.00 0.00 WT4 O ATOM 50435 H1 TIP3 5945 58.040 6.295 56.394 1.00 0.00 WT4 H ATOM 50436 H2 TIP3 5945 56.695 5.976 55.778 1.00 0.00 WT4 H ATOM 50437 OH2 TIP3 5947 31.211 70.452 23.366 1.00 0.00 WT4 O ATOM 50438 H1 TIP3 5947 31.950 69.844 23.388 1.00 0.00 WT4 H ATOM 50439 H2 TIP3 5947 30.673 70.202 24.118 1.00 0.00 WT4 H ATOM 50440 OH2 TIP3 5948 87.005 63.633 61.498 1.00 0.00 WT4 O ATOM 50441 H1 TIP3 5948 86.963 64.570 61.690 1.00 0.00 WT4 H ATOM 50442 H2 TIP3 5948 86.487 63.528 60.700 1.00 0.00 WT4 H ATOM 50443 OH2 TIP3 5949 55.974 27.054 48.536 1.00 0.00 WT4 O ATOM 50444 H1 TIP3 5949 56.725 26.855 47.977 1.00 0.00 WT4 H ATOM 50445 H2 TIP3 5949 55.226 26.666 48.081 1.00 0.00 WT4 H ATOM 50446 OH2 TIP3 5964 32.886 3.638 61.149 1.00 0.00 WT4 O ATOM 50447 H1 TIP3 5964 32.941 4.137 60.334 1.00 0.00 WT4 H ATOM 50448 H2 TIP3 5964 33.464 4.103 61.754 1.00 0.00 WT4 H ATOM 50449 OH2 TIP3 5965 71.393 47.513 50.314 1.00 0.00 WT4 O ATOM 50450 H1 TIP3 5965 70.792 47.675 49.587 1.00 0.00 WT4 H ATOM 50451 H2 TIP3 5965 71.270 48.260 50.899 1.00 0.00 WT4 H ATOM 50452 OH2 TIP3 5994 78.773 51.395 25.263 1.00 0.00 WT4 O ATOM 50453 H1 TIP3 5994 78.501 51.525 26.172 1.00 0.00 WT4 H ATOM 50454 H2 TIP3 5994 78.813 50.444 25.159 1.00 0.00 WT4 H ATOM 50455 OH2 TIP3 6019 79.659 6.918 -9.386 1.00 0.00 WT4 O ATOM 50456 H1 TIP3 6019 80.519 6.852 -9.801 1.00 0.00 WT4 H ATOM 50457 H2 TIP3 6019 79.741 7.654 -8.780 1.00 0.00 WT4 H ATOM 50458 OH2 TIP3 6090 68.963 72.011 59.366 1.00 0.00 WT4 O ATOM 50459 H1 TIP3 6090 68.840 71.168 59.803 1.00 0.00 WT4 H ATOM 50460 H2 TIP3 6090 68.809 72.662 60.051 1.00 0.00 WT4 H ATOM 50461 OH2 TIP3 6091 77.521 60.987 -11.091 1.00 0.00 WT4 O ATOM 50462 H1 TIP3 6091 76.622 60.828 -11.380 1.00 0.00 WT4 H ATOM 50463 H2 TIP3 6091 77.794 61.766 -11.574 1.00 0.00 WT4 H ATOM 50464 OH2 TIP3 6110 32.168 67.147 13.197 1.00 0.00 WT4 O ATOM 50465 H1 TIP3 6110 33.012 67.594 13.130 1.00 0.00 WT4 H ATOM 50466 H2 TIP3 6110 31.979 66.856 12.305 1.00 0.00 WT4 H ATOM 50467 OH2 TIP3 6134 47.935 20.270 65.034 1.00 0.00 WT4 O ATOM 50468 H1 TIP3 6134 48.685 20.587 64.531 1.00 0.00 WT4 H ATOM 50469 H2 TIP3 6134 47.897 19.332 64.843 1.00 0.00 WT4 H ATOM 50470 OH2 TIP3 6136 77.659 71.362 13.434 1.00 0.00 WT4 O ATOM 50471 H1 TIP3 6136 78.129 71.192 12.618 1.00 0.00 WT4 H ATOM 50472 H2 TIP3 6136 77.148 70.568 13.587 1.00 0.00 WT4 H ATOM 50473 OH2 TIP3 6138 56.429 49.263 2.633 1.00 0.00 WT4 O ATOM 50474 H1 TIP3 6138 57.229 49.689 2.323 1.00 0.00 WT4 H ATOM 50475 H2 TIP3 6138 55.810 49.982 2.763 1.00 0.00 WT4 H ATOM 50476 OH2 TIP3 6174 70.914 60.215 57.800 1.00 0.00 WT4 O ATOM 50477 H1 TIP3 6174 70.319 59.734 57.225 1.00 0.00 WT4 H ATOM 50478 H2 TIP3 6174 70.546 61.098 57.842 1.00 0.00 WT4 H ATOM 50479 OH2 TIP3 6176 78.770 16.964 -16.572 1.00 0.00 WT4 O ATOM 50480 H1 TIP3 6176 78.413 16.740 -15.712 1.00 0.00 WT4 H ATOM 50481 H2 TIP3 6176 78.040 16.830 -17.176 1.00 0.00 WT4 H ATOM 50482 OH2 TIP3 6177 48.781 65.403 55.258 1.00 0.00 WT4 O ATOM 50483 H1 TIP3 6177 48.856 65.851 54.415 1.00 0.00 WT4 H ATOM 50484 H2 TIP3 6177 49.204 64.556 55.117 1.00 0.00 WT4 H ATOM 50485 OH2 TIP3 6178 66.378 2.158 1.985 1.00 0.00 WT4 O ATOM 50486 H1 TIP3 6178 66.832 2.818 1.461 1.00 0.00 WT4 H ATOM 50487 H2 TIP3 6178 65.587 2.600 2.294 1.00 0.00 WT4 H ATOM 50488 OH2 TIP3 6179 58.686 60.996 26.429 1.00 0.00 WT4 O ATOM 50489 H1 TIP3 6179 57.750 60.834 26.551 1.00 0.00 WT4 H ATOM 50490 H2 TIP3 6179 58.783 61.147 25.489 1.00 0.00 WT4 H ATOM 50491 OH2 TIP3 6181 34.593 96.434 52.686 1.00 0.00 WT4 O ATOM 50492 H1 TIP3 6181 35.160 96.333 53.450 1.00 0.00 WT4 H ATOM 50493 H2 TIP3 6181 35.185 96.368 51.937 1.00 0.00 WT4 H ATOM 50494 OH2 TIP3 6183 75.427 82.475 -8.324 1.00 0.00 WT4 O ATOM 50495 H1 TIP3 6183 76.105 81.946 -8.745 1.00 0.00 WT4 H ATOM 50496 H2 TIP3 6183 74.930 82.852 -9.049 1.00 0.00 WT4 H ATOM 50497 OH2 TIP3 6195 61.519 94.477 58.840 1.00 0.00 WT4 O ATOM 50498 H1 TIP3 6195 60.863 94.856 59.424 1.00 0.00 WT4 H ATOM 50499 H2 TIP3 6195 61.086 93.715 58.456 1.00 0.00 WT4 H ATOM 50500 OH2 TIP3 6198 43.780 93.010 44.524 1.00 0.00 WT4 O ATOM 50501 H1 TIP3 6198 43.858 92.832 43.587 1.00 0.00 WT4 H ATOM 50502 H2 TIP3 6198 44.682 93.015 44.843 1.00 0.00 WT4 H ATOM 50503 OH2 TIP3 6200 69.156 62.945 19.347 1.00 0.00 WT4 O ATOM 50504 H1 TIP3 6200 69.966 62.659 19.770 1.00 0.00 WT4 H ATOM 50505 H2 TIP3 6200 68.925 62.225 18.760 1.00 0.00 WT4 H ATOM 50506 OH2 TIP3 6215 71.890 55.279 21.225 1.00 0.00 WT4 O ATOM 50507 H1 TIP3 6215 71.624 54.408 20.931 1.00 0.00 WT4 H ATOM 50508 H2 TIP3 6215 71.406 55.881 20.659 1.00 0.00 WT4 H ATOM 50509 OH2 TIP3 6216 50.246 80.055 61.031 1.00 0.00 WT4 O ATOM 50510 H1 TIP3 6216 50.609 79.549 60.304 1.00 0.00 WT4 H ATOM 50511 H2 TIP3 6216 51.011 80.344 61.528 1.00 0.00 WT4 H ATOM 50512 OH2 TIP3 6218 84.549 50.049 17.401 1.00 0.00 WT4 O ATOM 50513 H1 TIP3 6218 83.981 49.510 16.850 1.00 0.00 WT4 H ATOM 50514 H2 TIP3 6218 83.954 50.668 17.825 1.00 0.00 WT4 H ATOM 50515 OH2 TIP3 6219 31.488 59.131 -13.232 1.00 0.00 WT4 O ATOM 50516 H1 TIP3 6219 30.577 58.883 -13.074 1.00 0.00 WT4 H ATOM 50517 H2 TIP3 6219 31.991 58.342 -13.031 1.00 0.00 WT4 H ATOM 50518 OH2 TIP3 6220 81.648 0.814 31.997 1.00 0.00 WT4 O ATOM 50519 H1 TIP3 6220 81.483 1.665 31.592 1.00 0.00 WT4 H ATOM 50520 H2 TIP3 6220 80.802 0.553 32.360 1.00 0.00 WT4 H ATOM 50521 OH2 TIP3 6221 52.067 34.595 48.573 1.00 0.00 WT4 O ATOM 50522 H1 TIP3 6221 52.977 34.625 48.277 1.00 0.00 WT4 H ATOM 50523 H2 TIP3 6221 51.739 35.483 48.431 1.00 0.00 WT4 H ATOM 50524 OH2 TIP3 6225 90.445 49.315 1.311 1.00 0.00 WT4 O ATOM 50525 H1 TIP3 6225 89.767 48.870 0.803 1.00 0.00 WT4 H ATOM 50526 H2 TIP3 6225 90.002 50.076 1.688 1.00 0.00 WT4 H ATOM 50527 OH2 TIP3 6238 55.427 83.150 8.577 1.00 0.00 WT4 O ATOM 50528 H1 TIP3 6238 55.343 83.076 9.527 1.00 0.00 WT4 H ATOM 50529 H2 TIP3 6238 55.259 82.265 8.251 1.00 0.00 WT4 H ATOM 50530 OH2 TIP3 6240 36.853 73.219 -14.501 1.00 0.00 WT4 O ATOM 50531 H1 TIP3 6240 36.614 72.666 -15.245 1.00 0.00 WT4 H ATOM 50532 H2 TIP3 6240 36.924 72.612 -13.765 1.00 0.00 WT4 H ATOM 50533 OH2 TIP3 6241 35.902 77.516 40.625 1.00 0.00 WT4 O ATOM 50534 H1 TIP3 6241 35.874 77.437 39.672 1.00 0.00 WT4 H ATOM 50535 H2 TIP3 6241 35.160 76.994 40.931 1.00 0.00 WT4 H ATOM 50536 OH2 TIP3 6242 53.692 17.056 38.699 1.00 0.00 WT4 O ATOM 50537 H1 TIP3 6242 53.132 17.583 39.270 1.00 0.00 WT4 H ATOM 50538 H2 TIP3 6242 54.369 17.663 38.401 1.00 0.00 WT4 H ATOM 50539 OH2 TIP3 6243 54.940 15.813 24.755 1.00 0.00 WT4 O ATOM 50540 H1 TIP3 6243 54.376 16.586 24.777 1.00 0.00 WT4 H ATOM 50541 H2 TIP3 6243 54.349 15.080 24.929 1.00 0.00 WT4 H ATOM 50542 OH2 TIP3 6245 44.489 2.096 45.961 1.00 0.00 WT4 O ATOM 50543 H1 TIP3 6245 44.950 1.343 46.332 1.00 0.00 WT4 H ATOM 50544 H2 TIP3 6245 43.564 1.853 46.000 1.00 0.00 WT4 H ATOM 50545 OH2 TIP3 6246 51.789 8.229 56.993 1.00 0.00 WT4 O ATOM 50546 H1 TIP3 6246 51.947 9.000 57.538 1.00 0.00 WT4 H ATOM 50547 H2 TIP3 6246 52.574 8.154 56.450 1.00 0.00 WT4 H ATOM 50548 OH2 TIP3 6258 75.042 82.368 -15.680 1.00 0.00 WT4 O ATOM 50549 H1 TIP3 6258 75.558 83.081 -16.057 1.00 0.00 WT4 H ATOM 50550 H2 TIP3 6258 75.693 81.737 -15.374 1.00 0.00 WT4 H ATOM 50551 OH2 TIP3 6259 65.350 24.869 40.356 1.00 0.00 WT4 O ATOM 50552 H1 TIP3 6259 65.143 25.150 39.465 1.00 0.00 WT4 H ATOM 50553 H2 TIP3 6259 64.523 24.947 40.831 1.00 0.00 WT4 H ATOM 50554 OH2 TIP3 6261 51.173 5.333 2.344 1.00 0.00 WT4 O ATOM 50555 H1 TIP3 6261 50.972 5.341 3.279 1.00 0.00 WT4 H ATOM 50556 H2 TIP3 6261 50.704 6.090 1.991 1.00 0.00 WT4 H ATOM 50557 OH2 TIP3 6263 26.272 17.127 32.490 1.00 0.00 WT4 O ATOM 50558 H1 TIP3 6263 25.331 16.957 32.452 1.00 0.00 WT4 H ATOM 50559 H2 TIP3 6263 26.659 16.466 31.916 1.00 0.00 WT4 H ATOM 50560 OH2 TIP3 6264 52.581 12.326 31.204 1.00 0.00 WT4 O ATOM 50561 H1 TIP3 6264 52.855 11.672 31.847 1.00 0.00 WT4 H ATOM 50562 H2 TIP3 6264 52.829 11.952 30.359 1.00 0.00 WT4 H ATOM 50563 OH2 TIP3 6269 59.251 79.221 56.834 1.00 0.00 WT4 O ATOM 50564 H1 TIP3 6269 58.937 78.915 55.983 1.00 0.00 WT4 H ATOM 50565 H2 TIP3 6269 58.814 78.654 57.469 1.00 0.00 WT4 H ATOM 50566 OH2 TIP3 6281 66.363 65.707 22.034 1.00 0.00 WT4 O ATOM 50567 H1 TIP3 6281 66.305 65.103 21.294 1.00 0.00 WT4 H ATOM 50568 H2 TIP3 6281 65.461 65.793 22.344 1.00 0.00 WT4 H ATOM 50569 OH2 TIP3 6283 71.067 4.527 55.022 1.00 0.00 WT4 O ATOM 50570 H1 TIP3 6283 71.228 3.893 55.722 1.00 0.00 WT4 H ATOM 50571 H2 TIP3 6283 71.914 4.951 54.883 1.00 0.00 WT4 H ATOM 50572 OH2 TIP3 6284 26.988 0.453 58.987 1.00 0.00 WT4 O ATOM 50573 H1 TIP3 6284 26.608 1.018 58.315 1.00 0.00 WT4 H ATOM 50574 H2 TIP3 6284 27.544 1.036 59.505 1.00 0.00 WT4 H ATOM 50575 OH2 TIP3 6285 33.575 60.330 66.321 1.00 0.00 WT4 O ATOM 50576 H1 TIP3 6285 34.512 60.258 66.501 1.00 0.00 WT4 H ATOM 50577 H2 TIP3 6285 33.258 60.975 66.953 1.00 0.00 WT4 H ATOM 50578 OH2 TIP3 6286 85.816 21.149 56.628 1.00 0.00 WT4 O ATOM 50579 H1 TIP3 6286 84.962 21.576 56.564 1.00 0.00 WT4 H ATOM 50580 H2 TIP3 6286 86.336 21.733 57.180 1.00 0.00 WT4 H ATOM 50581 OH2 TIP3 6288 31.790 61.589 0.812 1.00 0.00 WT4 O ATOM 50582 H1 TIP3 6288 32.741 61.660 0.900 1.00 0.00 WT4 H ATOM 50583 H2 TIP3 6288 31.507 61.150 1.613 1.00 0.00 WT4 H ATOM 50584 OH2 TIP3 6297 52.293 85.008 43.370 1.00 0.00 WT4 O ATOM 50585 H1 TIP3 6297 51.475 85.465 43.179 1.00 0.00 WT4 H ATOM 50586 H2 TIP3 6297 52.581 84.667 42.523 1.00 0.00 WT4 H ATOM 50587 OH2 TIP3 6300 76.005 82.082 37.503 1.00 0.00 WT4 O ATOM 50588 H1 TIP3 6300 75.859 81.137 37.466 1.00 0.00 WT4 H ATOM 50589 H2 TIP3 6300 76.915 82.195 37.230 1.00 0.00 WT4 H ATOM 50590 OH2 TIP3 6303 51.969 60.066 48.600 1.00 0.00 WT4 O ATOM 50591 H1 TIP3 6303 52.548 60.562 48.021 1.00 0.00 WT4 H ATOM 50592 H2 TIP3 6303 51.130 60.524 48.549 1.00 0.00 WT4 H ATOM 50593 OH2 TIP3 6305 54.241 13.431 35.448 1.00 0.00 WT4 O ATOM 50594 H1 TIP3 6305 54.090 12.628 34.950 1.00 0.00 WT4 H ATOM 50595 H2 TIP3 6305 55.041 13.799 35.073 1.00 0.00 WT4 H ATOM 50596 OH2 TIP3 6309 76.675 9.989 4.106 1.00 0.00 WT4 O ATOM 50597 H1 TIP3 6309 76.476 10.542 4.861 1.00 0.00 WT4 H ATOM 50598 H2 TIP3 6309 77.376 9.412 4.409 1.00 0.00 WT4 H ATOM 50599 OH2 TIP3 6311 85.394 8.991 47.718 1.00 0.00 WT4 O ATOM 50600 H1 TIP3 6311 85.639 8.202 48.201 1.00 0.00 WT4 H ATOM 50601 H2 TIP3 6311 85.333 8.705 46.806 1.00 0.00 WT4 H ATOM 50602 OH2 TIP3 6319 88.037 56.259 31.854 1.00 0.00 WT4 O ATOM 50603 H1 TIP3 6319 87.708 55.561 32.421 1.00 0.00 WT4 H ATOM 50604 H2 TIP3 6319 87.369 56.943 31.903 1.00 0.00 WT4 H ATOM 50605 OH2 TIP3 6321 57.684 14.082 -9.887 1.00 0.00 WT4 O ATOM 50606 H1 TIP3 6321 57.736 14.930 -10.328 1.00 0.00 WT4 H ATOM 50607 H2 TIP3 6321 58.492 14.027 -9.377 1.00 0.00 WT4 H ATOM 50608 OH2 TIP3 6322 70.582 95.295 -14.594 1.00 0.00 WT4 O ATOM 50609 H1 TIP3 6322 69.870 94.988 -14.032 1.00 0.00 WT4 H ATOM 50610 H2 TIP3 6322 71.114 94.516 -14.754 1.00 0.00 WT4 H ATOM 50611 OH2 TIP3 6323 55.886 17.601 -5.936 1.00 0.00 WT4 O ATOM 50612 H1 TIP3 6323 56.691 18.083 -6.122 1.00 0.00 WT4 H ATOM 50613 H2 TIP3 6323 55.548 17.997 -5.133 1.00 0.00 WT4 H ATOM 50614 OH2 TIP3 6325 31.477 55.365 35.033 1.00 0.00 WT4 O ATOM 50615 H1 TIP3 6325 31.999 55.593 34.264 1.00 0.00 WT4 H ATOM 50616 H2 TIP3 6325 31.753 54.476 35.256 1.00 0.00 WT4 H ATOM 50617 OH2 TIP3 6328 76.965 74.485 4.200 1.00 0.00 WT4 O ATOM 50618 H1 TIP3 6328 77.896 74.514 3.979 1.00 0.00 WT4 H ATOM 50619 H2 TIP3 6328 76.697 75.403 4.227 1.00 0.00 WT4 H ATOM 50620 OH2 TIP3 6329 73.519 25.679 -13.518 1.00 0.00 WT4 O ATOM 50621 H1 TIP3 6329 73.891 26.457 -13.102 1.00 0.00 WT4 H ATOM 50622 H2 TIP3 6329 74.265 25.092 -13.641 1.00 0.00 WT4 H ATOM 50623 OH2 TIP3 6345 54.388 83.745 50.081 1.00 0.00 WT4 O ATOM 50624 H1 TIP3 6345 54.751 84.083 49.262 1.00 0.00 WT4 H ATOM 50625 H2 TIP3 6345 54.307 82.802 49.936 1.00 0.00 WT4 H ATOM 50626 OH2 TIP3 6347 40.774 96.213 0.193 1.00 0.00 WT4 O ATOM 50627 H1 TIP3 6347 40.974 96.557 -0.677 1.00 0.00 WT4 H ATOM 50628 H2 TIP3 6347 40.842 95.263 0.097 1.00 0.00 WT4 H ATOM 50629 OH2 TIP3 6348 87.347 41.682 65.899 1.00 0.00 WT4 O ATOM 50630 H1 TIP3 6348 86.796 42.128 66.541 1.00 0.00 WT4 H ATOM 50631 H2 TIP3 6348 88.161 42.186 65.890 1.00 0.00 WT4 H ATOM 50632 OH2 TIP3 6353 89.469 92.320 -11.171 1.00 0.00 WT4 O ATOM 50633 H1 TIP3 6353 88.843 91.608 -11.034 1.00 0.00 WT4 H ATOM 50634 H2 TIP3 6353 90.221 92.086 -10.627 1.00 0.00 WT4 H ATOM 50635 OH2 TIP3 6357 63.853 82.705 42.095 1.00 0.00 WT4 O ATOM 50636 H1 TIP3 6357 62.967 82.399 41.902 1.00 0.00 WT4 H ATOM 50637 H2 TIP3 6357 63.942 82.601 43.042 1.00 0.00 WT4 H ATOM 50638 OH2 TIP3 6364 59.588 15.592 -5.169 1.00 0.00 WT4 O ATOM 50639 H1 TIP3 6364 59.977 14.826 -4.746 1.00 0.00 WT4 H ATOM 50640 H2 TIP3 6364 58.676 15.345 -5.318 1.00 0.00 WT4 H ATOM 50641 OH2 TIP3 6366 23.455 49.470 10.493 1.00 0.00 WT4 O ATOM 50642 H1 TIP3 6366 22.787 48.784 10.515 1.00 0.00 WT4 H ATOM 50643 H2 TIP3 6366 23.886 49.358 9.646 1.00 0.00 WT4 H ATOM 50644 OH2 TIP3 6369 54.694 71.029 -14.158 1.00 0.00 WT4 O ATOM 50645 H1 TIP3 6369 55.015 70.302 -14.692 1.00 0.00 WT4 H ATOM 50646 H2 TIP3 6369 55.406 71.207 -13.543 1.00 0.00 WT4 H ATOM 50647 OH2 TIP3 6381 35.854 55.003 32.112 1.00 0.00 WT4 O ATOM 50648 H1 TIP3 6381 36.214 55.455 32.875 1.00 0.00 WT4 H ATOM 50649 H2 TIP3 6381 36.090 55.559 31.370 1.00 0.00 WT4 H ATOM 50650 OH2 TIP3 6388 58.486 42.075 42.641 1.00 0.00 WT4 O ATOM 50651 H1 TIP3 6388 59.380 42.028 42.302 1.00 0.00 WT4 H ATOM 50652 H2 TIP3 6388 58.274 43.008 42.628 1.00 0.00 WT4 H ATOM 50653 OH2 TIP3 6390 59.346 28.304 48.592 1.00 0.00 WT4 O ATOM 50654 H1 TIP3 6390 58.835 29.083 48.811 1.00 0.00 WT4 H ATOM 50655 H2 TIP3 6390 60.253 28.557 48.762 1.00 0.00 WT4 H ATOM 50656 OH2 TIP3 6403 84.133 70.801 62.763 1.00 0.00 WT4 O ATOM 50657 H1 TIP3 6403 84.167 70.061 62.156 1.00 0.00 WT4 H ATOM 50658 H2 TIP3 6403 83.610 70.483 63.499 1.00 0.00 WT4 H ATOM 50659 OH2 TIP3 6417 80.412 0.261 5.348 1.00 0.00 WT4 O ATOM 50660 H1 TIP3 6417 81.300 -0.094 5.385 1.00 0.00 WT4 H ATOM 50661 H2 TIP3 6417 80.355 0.675 4.487 1.00 0.00 WT4 H ATOM 50662 OH2 TIP3 6428 57.130 94.659 54.304 1.00 0.00 WT4 O ATOM 50663 H1 TIP3 6428 56.195 94.473 54.383 1.00 0.00 WT4 H ATOM 50664 H2 TIP3 6428 57.529 93.808 54.118 1.00 0.00 WT4 H ATOM 50665 OH2 TIP3 6429 65.087 29.565 52.617 1.00 0.00 WT4 O ATOM 50666 H1 TIP3 6429 65.818 30.167 52.757 1.00 0.00 WT4 H ATOM 50667 H2 TIP3 6429 65.155 28.933 53.333 1.00 0.00 WT4 H ATOM 50668 OH2 TIP3 6492 21.183 19.603 -4.398 1.00 0.00 WT4 O ATOM 50669 H1 TIP3 6492 21.539 20.423 -4.055 1.00 0.00 WT4 H ATOM 50670 H2 TIP3 6492 20.677 19.238 -3.671 1.00 0.00 WT4 H ATOM 50671 OH2 TIP3 6499 59.814 91.888 46.861 1.00 0.00 WT4 O ATOM 50672 H1 TIP3 6499 59.446 91.649 46.010 1.00 0.00 WT4 H ATOM 50673 H2 TIP3 6499 60.361 92.652 46.680 1.00 0.00 WT4 H ATOM 50674 OH2 TIP3 6536 53.689 15.298 54.996 1.00 0.00 WT4 O ATOM 50675 H1 TIP3 6536 53.988 15.947 54.360 1.00 0.00 WT4 H ATOM 50676 H2 TIP3 6536 53.908 15.677 55.847 1.00 0.00 WT4 H ATOM 50677 OH2 TIP3 6551 60.896 41.467 41.370 1.00 0.00 WT4 O ATOM 50678 H1 TIP3 6551 61.427 41.780 40.638 1.00 0.00 WT4 H ATOM 50679 H2 TIP3 6551 60.179 40.984 40.958 1.00 0.00 WT4 H ATOM 50680 OH2 TIP3 6555 29.988 93.097 11.088 1.00 0.00 WT4 O ATOM 50681 H1 TIP3 6555 29.725 94.017 11.084 1.00 0.00 WT4 H ATOM 50682 H2 TIP3 6555 29.541 92.723 11.846 1.00 0.00 WT4 H ATOM 50683 OH2 TIP3 6575 85.501 41.216 -18.270 1.00 0.00 WT4 O ATOM 50684 H1 TIP3 6575 84.891 41.944 -18.386 1.00 0.00 WT4 H ATOM 50685 H2 TIP3 6575 85.178 40.753 -17.497 1.00 0.00 WT4 H ATOM 50686 OH2 TIP3 6577 38.056 1.599 17.217 1.00 0.00 WT4 O ATOM 50687 H1 TIP3 6577 38.023 1.560 16.261 1.00 0.00 WT4 H ATOM 50688 H2 TIP3 6577 37.159 1.802 17.480 1.00 0.00 WT4 H ATOM 50689 OH2 TIP3 6579 79.000 61.798 54.269 1.00 0.00 WT4 O ATOM 50690 H1 TIP3 6579 79.280 61.142 53.631 1.00 0.00 WT4 H ATOM 50691 H2 TIP3 6579 78.162 62.117 53.934 1.00 0.00 WT4 H ATOM 50692 OH2 TIP3 6595 69.784 29.887 41.277 1.00 0.00 WT4 O ATOM 50693 H1 TIP3 6595 69.285 29.998 42.087 1.00 0.00 WT4 H ATOM 50694 H2 TIP3 6595 69.719 28.953 41.081 1.00 0.00 WT4 H ATOM 50695 OH2 TIP3 6597 41.889 91.168 45.500 1.00 0.00 WT4 O ATOM 50696 H1 TIP3 6597 42.405 91.971 45.419 1.00 0.00 WT4 H ATOM 50697 H2 TIP3 6597 41.673 91.115 46.431 1.00 0.00 WT4 H ATOM 50698 OH2 TIP3 6602 26.973 94.267 -10.748 1.00 0.00 WT4 O ATOM 50699 H1 TIP3 6602 26.396 94.297 -9.985 1.00 0.00 WT4 H ATOM 50700 H2 TIP3 6602 27.304 95.161 -10.834 1.00 0.00 WT4 H ATOM 50701 OH2 TIP3 6603 67.391 89.997 59.406 1.00 0.00 WT4 O ATOM 50702 H1 TIP3 6603 67.709 90.450 60.188 1.00 0.00 WT4 H ATOM 50703 H2 TIP3 6603 67.716 89.102 59.498 1.00 0.00 WT4 H ATOM 50704 OH2 TIP3 6615 62.111 42.947 -0.556 1.00 0.00 WT4 O ATOM 50705 H1 TIP3 6615 62.828 43.496 -0.871 1.00 0.00 WT4 H ATOM 50706 H2 TIP3 6615 62.294 42.825 0.376 1.00 0.00 WT4 H ATOM 50707 OH2 TIP3 6616 73.773 45.560 62.475 1.00 0.00 WT4 O ATOM 50708 H1 TIP3 6616 72.846 45.748 62.623 1.00 0.00 WT4 H ATOM 50709 H2 TIP3 6616 74.029 46.157 61.771 1.00 0.00 WT4 H ATOM 50710 OH2 TIP3 6618 51.828 91.297 0.126 1.00 0.00 WT4 O ATOM 50711 H1 TIP3 6618 50.898 91.203 0.333 1.00 0.00 WT4 H ATOM 50712 H2 TIP3 6618 52.273 90.747 0.770 1.00 0.00 WT4 H ATOM 50713 OH2 TIP3 6620 79.589 80.816 54.779 1.00 0.00 WT4 O ATOM 50714 H1 TIP3 6620 80.371 80.463 55.203 1.00 0.00 WT4 H ATOM 50715 H2 TIP3 6620 78.960 80.927 55.492 1.00 0.00 WT4 H ATOM 50716 OH2 TIP3 6621 28.754 47.610 59.641 1.00 0.00 WT4 O ATOM 50717 H1 TIP3 6621 27.830 47.688 59.401 1.00 0.00 WT4 H ATOM 50718 H2 TIP3 6621 29.024 48.504 59.850 1.00 0.00 WT4 H ATOM 50719 OH2 TIP3 6623 82.773 79.742 64.244 1.00 0.00 WT4 O ATOM 50720 H1 TIP3 6623 83.231 80.320 63.633 1.00 0.00 WT4 H ATOM 50721 H2 TIP3 6623 82.390 80.333 64.892 1.00 0.00 WT4 H ATOM 50722 OH2 TIP3 6637 24.409 57.552 -10.537 1.00 0.00 WT4 O ATOM 50723 H1 TIP3 6637 23.909 58.308 -10.231 1.00 0.00 WT4 H ATOM 50724 H2 TIP3 6637 24.729 57.811 -11.401 1.00 0.00 WT4 H ATOM 50725 OH2 TIP3 6639 70.564 80.862 -18.484 1.00 0.00 WT4 O ATOM 50726 H1 TIP3 6639 70.968 80.554 -19.296 1.00 0.00 WT4 H ATOM 50727 H2 TIP3 6639 71.292 81.211 -17.970 1.00 0.00 WT4 H ATOM 50728 OH2 TIP3 6640 85.488 61.029 -8.718 1.00 0.00 WT4 O ATOM 50729 H1 TIP3 6640 85.765 61.808 -8.236 1.00 0.00 WT4 H ATOM 50730 H2 TIP3 6640 84.996 60.514 -8.078 1.00 0.00 WT4 H ATOM 50731 OH2 TIP3 6641 24.266 64.978 -10.308 1.00 0.00 WT4 O ATOM 50732 H1 TIP3 6641 24.558 64.280 -10.894 1.00 0.00 WT4 H ATOM 50733 H2 TIP3 6641 24.881 64.950 -9.575 1.00 0.00 WT4 H ATOM 50734 OH2 TIP3 6645 88.683 37.775 62.861 1.00 0.00 WT4 O ATOM 50735 H1 TIP3 6645 88.761 38.132 63.745 1.00 0.00 WT4 H ATOM 50736 H2 TIP3 6645 89.584 37.727 62.541 1.00 0.00 WT4 H ATOM 50737 OH2 TIP3 6659 36.199 59.243 25.040 1.00 0.00 WT4 O ATOM 50738 H1 TIP3 6659 35.888 59.767 24.301 1.00 0.00 WT4 H ATOM 50739 H2 TIP3 6659 37.003 59.679 25.321 1.00 0.00 WT4 H ATOM 50740 OH2 TIP3 6660 71.972 70.402 23.117 1.00 0.00 WT4 O ATOM 50741 H1 TIP3 6660 71.314 69.710 23.179 1.00 0.00 WT4 H ATOM 50742 H2 TIP3 6660 71.579 71.149 23.567 1.00 0.00 WT4 H ATOM 50743 OH2 TIP3 6661 23.744 3.369 51.023 1.00 0.00 WT4 O ATOM 50744 H1 TIP3 6661 23.430 3.650 51.883 1.00 0.00 WT4 H ATOM 50745 H2 TIP3 6661 23.556 4.110 50.446 1.00 0.00 WT4 H ATOM 50746 OH2 TIP3 6662 29.529 23.027 28.433 1.00 0.00 WT4 O ATOM 50747 H1 TIP3 6662 29.003 22.524 29.054 1.00 0.00 WT4 H ATOM 50748 H2 TIP3 6662 30.336 22.522 28.338 1.00 0.00 WT4 H ATOM 50749 OH2 TIP3 6664 79.894 33.602 16.429 1.00 0.00 WT4 O ATOM 50750 H1 TIP3 6664 79.751 33.639 15.483 1.00 0.00 WT4 H ATOM 50751 H2 TIP3 6664 80.760 33.990 16.555 1.00 0.00 WT4 H ATOM 50752 OH2 TIP3 6671 78.467 67.439 61.236 1.00 0.00 WT4 O ATOM 50753 H1 TIP3 6671 79.401 67.311 61.404 1.00 0.00 WT4 H ATOM 50754 H2 TIP3 6671 78.099 66.555 61.241 1.00 0.00 WT4 H ATOM 50755 OH2 TIP3 6679 77.740 22.027 5.489 1.00 0.00 WT4 O ATOM 50756 H1 TIP3 6679 78.538 21.520 5.342 1.00 0.00 WT4 H ATOM 50757 H2 TIP3 6679 77.890 22.851 5.026 1.00 0.00 WT4 H ATOM 50758 OH2 TIP3 6681 25.638 6.405 3.495 1.00 0.00 WT4 O ATOM 50759 H1 TIP3 6681 25.985 6.655 2.638 1.00 0.00 WT4 H ATOM 50760 H2 TIP3 6681 25.901 5.491 3.603 1.00 0.00 WT4 H ATOM 50761 OH2 TIP3 6684 33.198 6.837 33.032 1.00 0.00 WT4 O ATOM 50762 H1 TIP3 6684 33.112 7.791 33.051 1.00 0.00 WT4 H ATOM 50763 H2 TIP3 6684 32.757 6.541 33.828 1.00 0.00 WT4 H ATOM 50764 OH2 TIP3 6686 74.851 67.667 28.169 1.00 0.00 WT4 O ATOM 50765 H1 TIP3 6686 75.345 67.175 27.513 1.00 0.00 WT4 H ATOM 50766 H2 TIP3 6686 74.017 67.864 27.743 1.00 0.00 WT4 H ATOM 50767 OH2 TIP3 6698 60.507 50.803 65.883 1.00 0.00 WT4 O ATOM 50768 H1 TIP3 6698 60.611 51.488 66.542 1.00 0.00 WT4 H ATOM 50769 H2 TIP3 6698 59.668 50.997 65.465 1.00 0.00 WT4 H ATOM 50770 OH2 TIP3 6700 77.334 7.545 7.327 1.00 0.00 WT4 O ATOM 50771 H1 TIP3 6700 77.133 8.433 7.623 1.00 0.00 WT4 H ATOM 50772 H2 TIP3 6700 78.285 7.538 7.219 1.00 0.00 WT4 H ATOM 50773 OH2 TIP3 6701 82.084 60.392 -4.679 1.00 0.00 WT4 O ATOM 50774 H1 TIP3 6701 82.326 60.239 -3.765 1.00 0.00 WT4 H ATOM 50775 H2 TIP3 6701 82.458 61.248 -4.886 1.00 0.00 WT4 H ATOM 50776 OH2 TIP3 6703 84.187 50.242 48.295 1.00 0.00 WT4 O ATOM 50777 H1 TIP3 6703 83.233 50.311 48.309 1.00 0.00 WT4 H ATOM 50778 H2 TIP3 6703 84.421 49.971 49.183 1.00 0.00 WT4 H ATOM 50779 OH2 TIP3 6704 90.276 91.020 34.530 1.00 0.00 WT4 O ATOM 50780 H1 TIP3 6704 89.370 90.725 34.446 1.00 0.00 WT4 H ATOM 50781 H2 TIP3 6704 90.745 90.553 33.838 1.00 0.00 WT4 H ATOM 50782 OH2 TIP3 6705 53.951 88.210 -6.920 1.00 0.00 WT4 O ATOM 50783 H1 TIP3 6705 53.962 87.679 -7.717 1.00 0.00 WT4 H ATOM 50784 H2 TIP3 6705 53.070 88.090 -6.564 1.00 0.00 WT4 H ATOM 50785 OH2 TIP3 6706 41.120 84.947 48.196 1.00 0.00 WT4 O ATOM 50786 H1 TIP3 6706 40.879 85.856 48.375 1.00 0.00 WT4 H ATOM 50787 H2 TIP3 6706 40.368 84.437 48.497 1.00 0.00 WT4 H ATOM 50788 OH2 TIP3 6721 45.985 37.851 39.488 1.00 0.00 WT4 O ATOM 50789 H1 TIP3 6721 45.489 38.102 38.709 1.00 0.00 WT4 H ATOM 50790 H2 TIP3 6721 46.902 37.918 39.220 1.00 0.00 WT4 H ATOM 50791 OH2 TIP3 6722 54.991 25.835 33.296 1.00 0.00 WT4 O ATOM 50792 H1 TIP3 6722 54.394 25.492 33.962 1.00 0.00 WT4 H ATOM 50793 H2 TIP3 6722 54.889 25.240 32.554 1.00 0.00 WT4 H ATOM 50794 OH2 TIP3 6726 78.294 28.921 -3.205 1.00 0.00 WT4 O ATOM 50795 H1 TIP3 6726 79.053 28.953 -3.786 1.00 0.00 WT4 H ATOM 50796 H2 TIP3 6726 78.656 29.061 -2.330 1.00 0.00 WT4 H ATOM 50797 OH2 TIP3 6727 85.897 3.868 41.098 1.00 0.00 WT4 O ATOM 50798 H1 TIP3 6727 85.939 3.296 41.864 1.00 0.00 WT4 H ATOM 50799 H2 TIP3 6727 86.671 3.638 40.584 1.00 0.00 WT4 H ATOM 50800 OH2 TIP3 6730 42.867 94.755 47.298 1.00 0.00 WT4 O ATOM 50801 H1 TIP3 6730 43.023 95.258 46.498 1.00 0.00 WT4 H ATOM 50802 H2 TIP3 6730 43.208 93.882 47.102 1.00 0.00 WT4 H ATOM 50803 OH2 TIP3 6731 65.754 4.784 15.699 1.00 0.00 WT4 O ATOM 50804 H1 TIP3 6731 65.873 5.609 16.171 1.00 0.00 WT4 H ATOM 50805 H2 TIP3 6731 64.840 4.547 15.859 1.00 0.00 WT4 H ATOM 50806 OH2 TIP3 6740 28.728 1.897 60.652 1.00 0.00 WT4 O ATOM 50807 H1 TIP3 6740 29.594 2.241 60.871 1.00 0.00 WT4 H ATOM 50808 H2 TIP3 6740 28.410 1.508 61.466 1.00 0.00 WT4 H ATOM 50809 OH2 TIP3 6742 76.868 79.625 7.893 1.00 0.00 WT4 O ATOM 50810 H1 TIP3 6742 76.743 78.743 7.544 1.00 0.00 WT4 H ATOM 50811 H2 TIP3 6742 76.100 79.777 8.443 1.00 0.00 WT4 H ATOM 50812 OH2 TIP3 6743 30.614 82.951 18.688 1.00 0.00 WT4 O ATOM 50813 H1 TIP3 6743 30.809 82.826 19.617 1.00 0.00 WT4 H ATOM 50814 H2 TIP3 6743 30.281 82.103 18.396 1.00 0.00 WT4 H ATOM 50815 OH2 TIP3 6745 84.340 54.204 51.752 1.00 0.00 WT4 O ATOM 50816 H1 TIP3 6745 85.262 54.436 51.865 1.00 0.00 WT4 H ATOM 50817 H2 TIP3 6745 84.323 53.249 51.818 1.00 0.00 WT4 H ATOM 50818 OH2 TIP3 6750 74.068 13.696 -4.401 1.00 0.00 WT4 O ATOM 50819 H1 TIP3 6750 74.517 13.858 -3.571 1.00 0.00 WT4 H ATOM 50820 H2 TIP3 6750 74.243 14.478 -4.925 1.00 0.00 WT4 H ATOM 50821 OH2 TIP3 6762 63.697 69.547 -6.639 1.00 0.00 WT4 O ATOM 50822 H1 TIP3 6762 63.394 68.684 -6.923 1.00 0.00 WT4 H ATOM 50823 H2 TIP3 6762 63.362 69.637 -5.747 1.00 0.00 WT4 H ATOM 50824 OH2 TIP3 6763 88.337 8.816 -14.407 1.00 0.00 WT4 O ATOM 50825 H1 TIP3 6763 89.106 9.033 -13.879 1.00 0.00 WT4 H ATOM 50826 H2 TIP3 6763 87.720 9.528 -14.237 1.00 0.00 WT4 H ATOM 50827 OH2 TIP3 6765 37.549 90.027 -18.816 1.00 0.00 WT4 O ATOM 50828 H1 TIP3 6765 37.296 90.505 -19.606 1.00 0.00 WT4 H ATOM 50829 H2 TIP3 6765 37.214 89.141 -18.953 1.00 0.00 WT4 H ATOM 50830 OH2 TIP3 6767 90.434 75.906 18.302 1.00 0.00 WT4 O ATOM 50831 H1 TIP3 6767 90.142 75.103 17.872 1.00 0.00 WT4 H ATOM 50832 H2 TIP3 6767 89.866 75.989 19.068 1.00 0.00 WT4 H ATOM 50833 OH2 TIP3 6769 54.141 83.802 20.547 1.00 0.00 WT4 O ATOM 50834 H1 TIP3 6769 54.798 83.127 20.717 1.00 0.00 WT4 H ATOM 50835 H2 TIP3 6769 54.539 84.363 19.882 1.00 0.00 WT4 H ATOM 50836 OH2 TIP3 6770 56.787 39.837 42.307 1.00 0.00 WT4 O ATOM 50837 H1 TIP3 6770 57.144 39.599 41.451 1.00 0.00 WT4 H ATOM 50838 H2 TIP3 6770 57.230 40.654 42.533 1.00 0.00 WT4 H ATOM 50839 OH2 TIP3 6771 22.128 91.629 -0.098 1.00 0.00 WT4 O ATOM 50840 H1 TIP3 6771 21.402 91.466 -0.700 1.00 0.00 WT4 H ATOM 50841 H2 TIP3 6771 21.775 92.245 0.543 1.00 0.00 WT4 H ATOM 50842 OH2 TIP3 6786 69.082 53.561 29.893 1.00 0.00 WT4 O ATOM 50843 H1 TIP3 6786 69.714 53.184 30.505 1.00 0.00 WT4 H ATOM 50844 H2 TIP3 6786 68.379 52.912 29.844 1.00 0.00 WT4 H ATOM 50845 OH2 TIP3 6788 82.419 3.558 42.407 1.00 0.00 WT4 O ATOM 50846 H1 TIP3 6788 82.724 4.466 42.430 1.00 0.00 WT4 H ATOM 50847 H2 TIP3 6788 81.980 3.474 41.561 1.00 0.00 WT4 H ATOM 50848 OH2 TIP3 6791 27.178 1.134 54.678 1.00 0.00 WT4 O ATOM 50849 H1 TIP3 6791 28.038 1.076 55.094 1.00 0.00 WT4 H ATOM 50850 H2 TIP3 6791 27.318 0.806 53.790 1.00 0.00 WT4 H ATOM 50851 OH2 TIP3 6792 36.309 31.285 -9.972 1.00 0.00 WT4 O ATOM 50852 H1 TIP3 6792 37.067 31.757 -9.629 1.00 0.00 WT4 H ATOM 50853 H2 TIP3 6792 36.598 30.374 -10.026 1.00 0.00 WT4 H ATOM 50854 OH2 TIP3 6803 24.361 34.201 19.324 1.00 0.00 WT4 O ATOM 50855 H1 TIP3 6803 24.149 34.876 18.680 1.00 0.00 WT4 H ATOM 50856 H2 TIP3 6803 24.105 34.582 20.164 1.00 0.00 WT4 H ATOM 50857 OH2 TIP3 6813 66.694 59.032 -9.630 1.00 0.00 WT4 O ATOM 50858 H1 TIP3 6813 66.248 58.352 -9.125 1.00 0.00 WT4 H ATOM 50859 H2 TIP3 6813 67.402 59.329 -9.058 1.00 0.00 WT4 H ATOM 50860 OH2 TIP3 6825 88.865 95.245 6.762 1.00 0.00 WT4 O ATOM 50861 H1 TIP3 6825 89.781 94.998 6.887 1.00 0.00 WT4 H ATOM 50862 H2 TIP3 6825 88.456 94.467 6.383 1.00 0.00 WT4 H ATOM 50863 OH2 TIP3 6826 49.223 0.064 -8.404 1.00 0.00 WT4 O ATOM 50864 H1 TIP3 6826 48.486 -0.413 -8.786 1.00 0.00 WT4 H ATOM 50865 H2 TIP3 6826 48.836 0.869 -8.060 1.00 0.00 WT4 H ATOM 50866 OH2 TIP3 6827 81.468 86.723 -5.754 1.00 0.00 WT4 O ATOM 50867 H1 TIP3 6827 82.206 87.034 -6.278 1.00 0.00 WT4 H ATOM 50868 H2 TIP3 6827 81.731 85.850 -5.463 1.00 0.00 WT4 H ATOM 50869 OH2 TIP3 6853 41.666 2.705 23.851 1.00 0.00 WT4 O ATOM 50870 H1 TIP3 6853 41.356 3.585 24.060 1.00 0.00 WT4 H ATOM 50871 H2 TIP3 6853 41.421 2.575 22.935 1.00 0.00 WT4 H ATOM 50872 OH2 TIP3 6855 85.951 8.276 40.542 1.00 0.00 WT4 O ATOM 50873 H1 TIP3 6855 85.527 8.662 41.309 1.00 0.00 WT4 H ATOM 50874 H2 TIP3 6855 86.440 7.530 40.888 1.00 0.00 WT4 H ATOM 50875 OH2 TIP3 6872 31.123 72.749 54.442 1.00 0.00 WT4 O ATOM 50876 H1 TIP3 6872 30.231 72.933 54.147 1.00 0.00 WT4 H ATOM 50877 H2 TIP3 6872 31.674 72.958 53.688 1.00 0.00 WT4 H ATOM 50878 OH2 TIP3 6896 66.735 57.650 25.677 1.00 0.00 WT4 O ATOM 50879 H1 TIP3 6896 65.872 57.243 25.744 1.00 0.00 WT4 H ATOM 50880 H2 TIP3 6896 66.594 58.426 25.136 1.00 0.00 WT4 H ATOM 50881 OH2 TIP3 6916 84.571 39.542 47.213 1.00 0.00 WT4 O ATOM 50882 H1 TIP3 6916 84.397 39.762 46.298 1.00 0.00 WT4 H ATOM 50883 H2 TIP3 6916 85.502 39.731 47.332 1.00 0.00 WT4 H ATOM 50884 OH2 TIP3 6952 51.228 88.280 59.504 1.00 0.00 WT4 O ATOM 50885 H1 TIP3 6952 50.678 88.320 58.721 1.00 0.00 WT4 H ATOM 50886 H2 TIP3 6952 51.873 88.975 59.379 1.00 0.00 WT4 H ATOM 50887 OH2 TIP3 6953 37.705 13.960 45.134 1.00 0.00 WT4 O ATOM 50888 H1 TIP3 6953 37.156 14.625 44.718 1.00 0.00 WT4 H ATOM 50889 H2 TIP3 6953 38.600 14.212 44.908 1.00 0.00 WT4 H ATOM 50890 OH2 TIP3 6955 42.588 70.273 11.700 1.00 0.00 WT4 O ATOM 50891 H1 TIP3 6955 42.943 71.019 11.217 1.00 0.00 WT4 H ATOM 50892 H2 TIP3 6955 43.231 70.106 12.389 1.00 0.00 WT4 H ATOM 50893 OH2 TIP3 6975 31.153 82.528 51.109 1.00 0.00 WT4 O ATOM 50894 H1 TIP3 6975 31.351 82.863 50.234 1.00 0.00 WT4 H ATOM 50895 H2 TIP3 6975 31.108 83.309 51.660 1.00 0.00 WT4 H ATOM 50896 OH2 TIP3 7017 85.593 89.534 26.605 1.00 0.00 WT4 O ATOM 50897 H1 TIP3 7017 84.792 89.945 26.279 1.00 0.00 WT4 H ATOM 50898 H2 TIP3 7017 86.275 89.829 26.002 1.00 0.00 WT4 H ATOM 50899 OH2 TIP3 7019 71.633 73.586 47.874 1.00 0.00 WT4 O ATOM 50900 H1 TIP3 7019 71.562 72.950 47.162 1.00 0.00 WT4 H ATOM 50901 H2 TIP3 7019 70.748 73.643 48.234 1.00 0.00 WT4 H ATOM 50902 OH2 TIP3 7020 88.619 64.222 13.975 1.00 0.00 WT4 O ATOM 50903 H1 TIP3 7020 89.481 63.873 13.750 1.00 0.00 WT4 H ATOM 50904 H2 TIP3 7020 88.341 64.697 13.192 1.00 0.00 WT4 H ATOM 50905 OH2 TIP3 7021 50.590 6.693 14.398 1.00 0.00 WT4 O ATOM 50906 H1 TIP3 7021 50.478 6.753 15.346 1.00 0.00 WT4 H ATOM 50907 H2 TIP3 7021 50.191 7.495 14.058 1.00 0.00 WT4 H ATOM 50908 OH2 TIP3 7023 74.281 57.157 0.170 1.00 0.00 WT4 O ATOM 50909 H1 TIP3 7023 73.663 56.433 0.268 1.00 0.00 WT4 H ATOM 50910 H2 TIP3 7023 74.707 57.227 1.024 1.00 0.00 WT4 H ATOM 50911 OH2 TIP3 7040 57.911 89.505 60.068 1.00 0.00 WT4 O ATOM 50912 H1 TIP3 7040 57.322 89.668 59.332 1.00 0.00 WT4 H ATOM 50913 H2 TIP3 7040 57.771 88.583 60.288 1.00 0.00 WT4 H ATOM 50914 OH2 TIP3 7041 39.550 9.287 57.120 1.00 0.00 WT4 O ATOM 50915 H1 TIP3 7041 38.885 8.962 57.727 1.00 0.00 WT4 H ATOM 50916 H2 TIP3 7041 39.206 10.127 56.815 1.00 0.00 WT4 H ATOM 50917 OH2 TIP3 7042 85.021 61.393 58.537 1.00 0.00 WT4 O ATOM 50918 H1 TIP3 7042 85.164 60.832 57.775 1.00 0.00 WT4 H ATOM 50919 H2 TIP3 7042 84.484 60.864 59.127 1.00 0.00 WT4 H ATOM 50920 OH2 TIP3 7043 39.963 13.301 5.651 1.00 0.00 WT4 O ATOM 50921 H1 TIP3 7043 40.753 13.442 5.129 1.00 0.00 WT4 H ATOM 50922 H2 TIP3 7043 39.342 13.954 5.330 1.00 0.00 WT4 H ATOM 50923 OH2 TIP3 7052 37.655 48.199 10.474 1.00 0.00 WT4 O ATOM 50924 H1 TIP3 7052 36.809 48.315 10.907 1.00 0.00 WT4 H ATOM 50925 H2 TIP3 7052 38.281 48.638 11.050 1.00 0.00 WT4 H ATOM 50926 OH2 TIP3 7058 28.697 55.214 56.997 1.00 0.00 WT4 O ATOM 50927 H1 TIP3 7058 28.003 55.050 56.359 1.00 0.00 WT4 H ATOM 50928 H2 TIP3 7058 28.559 54.552 57.675 1.00 0.00 WT4 H ATOM 50929 OH2 TIP3 7059 58.440 22.301 63.298 1.00 0.00 WT4 O ATOM 50930 H1 TIP3 7059 57.705 22.546 62.736 1.00 0.00 WT4 H ATOM 50931 H2 TIP3 7059 58.921 23.117 63.433 1.00 0.00 WT4 H ATOM 50932 OH2 TIP3 7062 63.366 77.327 -2.076 1.00 0.00 WT4 O ATOM 50933 H1 TIP3 7062 62.951 77.343 -1.214 1.00 0.00 WT4 H ATOM 50934 H2 TIP3 7062 62.654 77.509 -2.689 1.00 0.00 WT4 H ATOM 50935 OH2 TIP3 7063 80.094 92.949 19.798 1.00 0.00 WT4 O ATOM 50936 H1 TIP3 7063 80.001 92.629 20.696 1.00 0.00 WT4 H ATOM 50937 H2 TIP3 7063 79.198 93.133 19.516 1.00 0.00 WT4 H ATOM 50938 OH2 TIP3 7065 60.061 7.570 53.340 1.00 0.00 WT4 O ATOM 50939 H1 TIP3 7065 60.010 6.615 53.320 1.00 0.00 WT4 H ATOM 50940 H2 TIP3 7065 60.990 7.758 53.472 1.00 0.00 WT4 H ATOM 50941 OH2 TIP3 7076 41.319 56.193 66.474 1.00 0.00 WT4 O ATOM 50942 H1 TIP3 7076 40.820 55.902 65.710 1.00 0.00 WT4 H ATOM 50943 H2 TIP3 7076 42.012 56.745 66.111 1.00 0.00 WT4 H ATOM 50944 OH2 TIP3 7078 52.963 1.909 66.572 1.00 0.00 WT4 O ATOM 50945 H1 TIP3 7078 52.210 1.785 67.150 1.00 0.00 WT4 H ATOM 50946 H2 TIP3 7078 52.612 2.385 65.819 1.00 0.00 WT4 H ATOM 50947 OH2 TIP3 7081 27.998 83.869 52.092 1.00 0.00 WT4 O ATOM 50948 H1 TIP3 7081 28.259 82.984 52.345 1.00 0.00 WT4 H ATOM 50949 H2 TIP3 7081 27.301 84.099 52.706 1.00 0.00 WT4 H ATOM 50950 OH2 TIP3 7100 87.891 91.715 23.694 1.00 0.00 WT4 O ATOM 50951 H1 TIP3 7100 87.835 92.153 22.845 1.00 0.00 WT4 H ATOM 50952 H2 TIP3 7100 87.932 90.783 23.481 1.00 0.00 WT4 H ATOM 50953 OH2 TIP3 7101 66.083 17.649 64.465 1.00 0.00 WT4 O ATOM 50954 H1 TIP3 7101 66.272 17.023 65.164 1.00 0.00 WT4 H ATOM 50955 H2 TIP3 7101 66.601 18.423 64.689 1.00 0.00 WT4 H ATOM 50956 OH2 TIP3 7102 28.977 31.799 4.699 1.00 0.00 WT4 O ATOM 50957 H1 TIP3 7102 28.076 31.719 4.383 1.00 0.00 WT4 H ATOM 50958 H2 TIP3 7102 28.888 31.985 5.633 1.00 0.00 WT4 H ATOM 50959 OH2 TIP3 7104 86.127 0.316 -17.603 1.00 0.00 WT4 O ATOM 50960 H1 TIP3 7104 85.811 0.956 -16.966 1.00 0.00 WT4 H ATOM 50961 H2 TIP3 7104 86.565 -0.352 -17.076 1.00 0.00 WT4 H ATOM 50962 OH2 TIP3 7121 28.615 63.343 62.098 1.00 0.00 WT4 O ATOM 50963 H1 TIP3 7121 28.952 63.819 62.858 1.00 0.00 WT4 H ATOM 50964 H2 TIP3 7121 28.205 64.016 61.555 1.00 0.00 WT4 H ATOM 50965 OH2 TIP3 7122 22.061 26.498 38.015 1.00 0.00 WT4 O ATOM 50966 H1 TIP3 7122 21.411 26.518 38.718 1.00 0.00 WT4 H ATOM 50967 H2 TIP3 7122 22.346 27.407 37.926 1.00 0.00 WT4 H ATOM 50968 OH2 TIP3 7123 47.729 91.503 49.464 1.00 0.00 WT4 O ATOM 50969 H1 TIP3 7123 48.481 91.933 49.057 1.00 0.00 WT4 H ATOM 50970 H2 TIP3 7123 48.112 90.819 50.013 1.00 0.00 WT4 H ATOM 50971 OH2 TIP3 7128 90.751 78.719 -3.992 1.00 0.00 WT4 O ATOM 50972 H1 TIP3 7128 90.801 77.764 -3.994 1.00 0.00 WT4 H ATOM 50973 H2 TIP3 7128 90.322 78.936 -3.164 1.00 0.00 WT4 H ATOM 50974 OH2 TIP3 7141 80.516 69.809 -3.470 1.00 0.00 WT4 O ATOM 50975 H1 TIP3 7141 79.755 69.303 -3.755 1.00 0.00 WT4 H ATOM 50976 H2 TIP3 7141 80.746 69.438 -2.619 1.00 0.00 WT4 H ATOM 50977 OH2 TIP3 7142 89.133 6.616 -16.134 1.00 0.00 WT4 O ATOM 50978 H1 TIP3 7142 88.814 5.716 -16.194 1.00 0.00 WT4 H ATOM 50979 H2 TIP3 7142 88.860 6.910 -15.265 1.00 0.00 WT4 H ATOM 50980 OH2 TIP3 7143 53.590 15.878 11.164 1.00 0.00 WT4 O ATOM 50981 H1 TIP3 7143 53.062 16.646 11.383 1.00 0.00 WT4 H ATOM 50982 H2 TIP3 7143 53.885 15.540 12.010 1.00 0.00 WT4 H ATOM 50983 OH2 TIP3 7144 46.006 82.520 11.816 1.00 0.00 WT4 O ATOM 50984 H1 TIP3 7144 46.517 82.621 12.620 1.00 0.00 WT4 H ATOM 50985 H2 TIP3 7144 46.658 82.331 11.140 1.00 0.00 WT4 H ATOM 50986 OH2 TIP3 7145 50.703 67.870 -3.473 1.00 0.00 WT4 O ATOM 50987 H1 TIP3 7145 51.349 68.331 -2.937 1.00 0.00 WT4 H ATOM 50988 H2 TIP3 7145 49.945 68.454 -3.490 1.00 0.00 WT4 H ATOM 50989 OH2 TIP3 7146 60.079 83.771 26.494 1.00 0.00 WT4 O ATOM 50990 H1 TIP3 7146 59.683 83.017 26.931 1.00 0.00 WT4 H ATOM 50991 H2 TIP3 7146 60.821 83.407 26.011 1.00 0.00 WT4 H ATOM 50992 OH2 TIP3 7147 58.201 87.748 15.772 1.00 0.00 WT4 O ATOM 50993 H1 TIP3 7147 58.757 88.490 16.009 1.00 0.00 WT4 H ATOM 50994 H2 TIP3 7147 57.736 88.038 14.987 1.00 0.00 WT4 H ATOM 50995 OH2 TIP3 7148 90.166 82.912 43.613 1.00 0.00 WT4 O ATOM 50996 H1 TIP3 7148 90.621 83.609 43.141 1.00 0.00 WT4 H ATOM 50997 H2 TIP3 7148 89.915 82.286 42.934 1.00 0.00 WT4 H ATOM 50998 OH2 TIP3 7161 90.274 62.908 -19.590 1.00 0.00 WT4 O ATOM 50999 H1 TIP3 7161 90.220 62.139 -19.023 1.00 0.00 WT4 H ATOM 51000 H2 TIP3 7161 90.881 63.496 -19.140 1.00 0.00 WT4 H ATOM 51001 OH2 TIP3 7166 30.809 69.361 -8.002 1.00 0.00 WT4 O ATOM 51002 H1 TIP3 7166 30.114 69.313 -7.345 1.00 0.00 WT4 H ATOM 51003 H2 TIP3 7166 30.525 68.766 -8.696 1.00 0.00 WT4 H ATOM 51004 OH2 TIP3 7181 72.252 67.317 14.351 1.00 0.00 WT4 O ATOM 51005 H1 TIP3 7181 72.207 66.534 14.900 1.00 0.00 WT4 H ATOM 51006 H2 TIP3 7181 72.095 68.043 14.956 1.00 0.00 WT4 H ATOM 51007 OH2 TIP3 7182 37.949 62.910 -0.782 1.00 0.00 WT4 O ATOM 51008 H1 TIP3 7182 38.671 63.178 -1.350 1.00 0.00 WT4 H ATOM 51009 H2 TIP3 7182 37.187 62.880 -1.361 1.00 0.00 WT4 H ATOM 51010 OH2 TIP3 7183 39.265 96.415 -9.321 1.00 0.00 WT4 O ATOM 51011 H1 TIP3 7183 39.800 97.125 -8.965 1.00 0.00 WT4 H ATOM 51012 H2 TIP3 7183 39.152 95.810 -8.588 1.00 0.00 WT4 H ATOM 51013 OH2 TIP3 7184 49.451 5.096 -15.053 1.00 0.00 WT4 O ATOM 51014 H1 TIP3 7184 50.114 5.786 -15.021 1.00 0.00 WT4 H ATOM 51015 H2 TIP3 7184 48.856 5.368 -15.751 1.00 0.00 WT4 H ATOM 51016 OH2 TIP3 7185 77.981 62.164 35.772 1.00 0.00 WT4 O ATOM 51017 H1 TIP3 7185 77.144 61.944 36.182 1.00 0.00 WT4 H ATOM 51018 H2 TIP3 7185 78.241 62.988 36.183 1.00 0.00 WT4 H ATOM 51019 OH2 TIP3 7186 61.526 10.738 55.318 1.00 0.00 WT4 O ATOM 51020 H1 TIP3 7186 60.878 10.072 55.544 1.00 0.00 WT4 H ATOM 51021 H2 TIP3 7186 61.365 10.928 54.394 1.00 0.00 WT4 H ATOM 51022 OH2 TIP3 7187 71.439 65.510 -15.356 1.00 0.00 WT4 O ATOM 51023 H1 TIP3 7187 71.894 65.526 -16.198 1.00 0.00 WT4 H ATOM 51024 H2 TIP3 7187 70.868 64.743 -15.406 1.00 0.00 WT4 H ATOM 51025 OH2 TIP3 7189 57.834 92.529 52.791 1.00 0.00 WT4 O ATOM 51026 H1 TIP3 7189 57.416 92.146 52.020 1.00 0.00 WT4 H ATOM 51027 H2 TIP3 7189 58.694 92.812 52.482 1.00 0.00 WT4 H ATOM 51028 OH2 TIP3 7200 56.520 88.301 19.389 1.00 0.00 WT4 O ATOM 51029 H1 TIP3 7200 56.046 89.107 19.184 1.00 0.00 WT4 H ATOM 51030 H2 TIP3 7200 57.440 88.519 19.239 1.00 0.00 WT4 H ATOM 51031 OH2 TIP3 7203 20.680 61.226 -4.395 1.00 0.00 WT4 O ATOM 51032 H1 TIP3 7203 19.927 61.392 -3.828 1.00 0.00 WT4 H ATOM 51033 H2 TIP3 7203 20.418 61.567 -5.250 1.00 0.00 WT4 H ATOM 51034 OH2 TIP3 7206 37.234 5.786 33.092 1.00 0.00 WT4 O ATOM 51035 H1 TIP3 7206 37.504 6.519 33.645 1.00 0.00 WT4 H ATOM 51036 H2 TIP3 7206 36.401 6.067 32.712 1.00 0.00 WT4 H ATOM 51037 OH2 TIP3 7209 23.951 92.513 29.111 1.00 0.00 WT4 O ATOM 51038 H1 TIP3 7209 23.881 91.938 29.873 1.00 0.00 WT4 H ATOM 51039 H2 TIP3 7209 23.570 92.008 28.393 1.00 0.00 WT4 H ATOM 51040 OH2 TIP3 7210 57.531 86.909 46.578 1.00 0.00 WT4 O ATOM 51041 H1 TIP3 7210 57.802 87.494 45.871 1.00 0.00 WT4 H ATOM 51042 H2 TIP3 7210 56.635 86.658 46.353 1.00 0.00 WT4 H ATOM 51043 OH2 TIP3 7211 35.781 42.596 1.177 1.00 0.00 WT4 O ATOM 51044 H1 TIP3 7211 35.976 43.420 0.731 1.00 0.00 WT4 H ATOM 51045 H2 TIP3 7211 36.112 41.919 0.586 1.00 0.00 WT4 H ATOM 51046 OH2 TIP3 7213 84.447 7.896 -3.753 1.00 0.00 WT4 O ATOM 51047 H1 TIP3 7213 84.311 8.523 -4.464 1.00 0.00 WT4 H ATOM 51048 H2 TIP3 7213 85.272 8.166 -3.349 1.00 0.00 WT4 H ATOM 51049 OH2 TIP3 7222 60.396 26.948 -18.248 1.00 0.00 WT4 O ATOM 51050 H1 TIP3 7222 59.763 27.415 -18.794 1.00 0.00 WT4 H ATOM 51051 H2 TIP3 7222 59.861 26.386 -17.687 1.00 0.00 WT4 H ATOM 51052 OH2 TIP3 7227 30.351 5.203 -8.599 1.00 0.00 WT4 O ATOM 51053 H1 TIP3 7227 29.857 4.454 -8.265 1.00 0.00 WT4 H ATOM 51054 H2 TIP3 7227 30.730 4.894 -9.422 1.00 0.00 WT4 H ATOM 51055 OH2 TIP3 7228 79.736 73.366 59.045 1.00 0.00 WT4 O ATOM 51056 H1 TIP3 7228 79.976 73.156 58.142 1.00 0.00 WT4 H ATOM 51057 H2 TIP3 7228 79.440 72.534 59.414 1.00 0.00 WT4 H ATOM 51058 OH2 TIP3 7229 22.805 94.442 53.092 1.00 0.00 WT4 O ATOM 51059 H1 TIP3 7229 23.374 94.106 53.784 1.00 0.00 WT4 H ATOM 51060 H2 TIP3 7229 22.091 94.877 53.558 1.00 0.00 WT4 H ATOM 51061 OH2 TIP3 7230 81.998 68.902 1.549 1.00 0.00 WT4 O ATOM 51062 H1 TIP3 7230 81.109 68.585 1.709 1.00 0.00 WT4 H ATOM 51063 H2 TIP3 7230 82.523 68.510 2.247 1.00 0.00 WT4 H ATOM 51064 OH2 TIP3 7247 74.355 81.122 17.117 1.00 0.00 WT4 O ATOM 51065 H1 TIP3 7247 74.594 80.527 17.827 1.00 0.00 WT4 H ATOM 51066 H2 TIP3 7247 73.409 81.013 17.020 1.00 0.00 WT4 H ATOM 51067 OH2 TIP3 7248 50.919 14.731 -13.784 1.00 0.00 WT4 O ATOM 51068 H1 TIP3 7248 51.379 14.957 -14.593 1.00 0.00 WT4 H ATOM 51069 H2 TIP3 7248 51.459 15.107 -13.088 1.00 0.00 WT4 H ATOM 51070 OH2 TIP3 7249 29.110 10.026 -4.104 1.00 0.00 WT4 O ATOM 51071 H1 TIP3 7249 28.431 10.307 -3.491 1.00 0.00 WT4 H ATOM 51072 H2 TIP3 7249 28.847 9.144 -4.366 1.00 0.00 WT4 H ATOM 51073 OH2 TIP3 7250 27.734 78.524 65.373 1.00 0.00 WT4 O ATOM 51074 H1 TIP3 7250 27.464 77.965 66.102 1.00 0.00 WT4 H ATOM 51075 H2 TIP3 7250 26.921 78.724 64.909 1.00 0.00 WT4 H ATOM 51076 OH2 TIP3 7253 56.620 85.472 -17.598 1.00 0.00 WT4 O ATOM 51077 H1 TIP3 7253 55.979 84.810 -17.338 1.00 0.00 WT4 H ATOM 51078 H2 TIP3 7253 56.113 86.114 -18.096 1.00 0.00 WT4 H ATOM 51079 OH2 TIP3 7254 25.325 20.979 58.697 1.00 0.00 WT4 O ATOM 51080 H1 TIP3 7254 25.189 20.651 57.808 1.00 0.00 WT4 H ATOM 51081 H2 TIP3 7254 26.167 21.435 58.658 1.00 0.00 WT4 H ATOM 51082 OH2 TIP3 7264 37.558 12.569 34.377 1.00 0.00 WT4 O ATOM 51083 H1 TIP3 7264 36.778 12.879 34.838 1.00 0.00 WT4 H ATOM 51084 H2 TIP3 7264 37.963 13.365 34.032 1.00 0.00 WT4 H ATOM 51085 OH2 TIP3 7267 75.661 20.850 -13.203 1.00 0.00 WT4 O ATOM 51086 H1 TIP3 7267 76.501 21.027 -13.626 1.00 0.00 WT4 H ATOM 51087 H2 TIP3 7267 75.876 20.747 -12.276 1.00 0.00 WT4 H ATOM 51088 OH2 TIP3 7270 53.775 76.297 50.411 1.00 0.00 WT4 O ATOM 51089 H1 TIP3 7270 54.162 76.063 51.255 1.00 0.00 WT4 H ATOM 51090 H2 TIP3 7270 53.173 75.579 50.216 1.00 0.00 WT4 H ATOM 51091 OH2 TIP3 7311 61.616 86.807 66.578 1.00 0.00 WT4 O ATOM 51092 H1 TIP3 7311 62.075 86.552 65.778 1.00 0.00 WT4 H ATOM 51093 H2 TIP3 7311 62.260 87.316 67.071 1.00 0.00 WT4 H ATOM 51094 OH2 TIP3 7312 27.445 17.821 55.668 1.00 0.00 WT4 O ATOM 51095 H1 TIP3 7312 27.850 18.664 55.875 1.00 0.00 WT4 H ATOM 51096 H2 TIP3 7312 28.150 17.307 55.274 1.00 0.00 WT4 H ATOM 51097 OH2 TIP3 7415 79.135 68.349 47.743 1.00 0.00 WT4 O ATOM 51098 H1 TIP3 7415 80.009 68.270 47.363 1.00 0.00 WT4 H ATOM 51099 H2 TIP3 7415 78.752 69.112 47.309 1.00 0.00 WT4 H ATOM 51100 OH2 TIP3 7418 70.779 13.224 -11.141 1.00 0.00 WT4 O ATOM 51101 H1 TIP3 7418 71.094 12.774 -11.925 1.00 0.00 WT4 H ATOM 51102 H2 TIP3 7418 70.361 12.537 -10.622 1.00 0.00 WT4 H ATOM 51103 OH2 TIP3 7435 40.551 12.732 23.018 1.00 0.00 WT4 O ATOM 51104 H1 TIP3 7435 40.354 12.012 22.420 1.00 0.00 WT4 H ATOM 51105 H2 TIP3 7435 41.260 13.213 22.590 1.00 0.00 WT4 H ATOM 51106 OH2 TIP3 7437 69.430 92.373 -6.306 1.00 0.00 WT4 O ATOM 51107 H1 TIP3 7437 68.735 92.687 -5.728 1.00 0.00 WT4 H ATOM 51108 H2 TIP3 7437 69.001 92.252 -7.153 1.00 0.00 WT4 H ATOM 51109 OH2 TIP3 7439 35.677 2.287 48.450 1.00 0.00 WT4 O ATOM 51110 H1 TIP3 7439 35.568 1.771 47.652 1.00 0.00 WT4 H ATOM 51111 H2 TIP3 7439 36.625 2.370 48.556 1.00 0.00 WT4 H ATOM 51112 OH2 TIP3 7455 40.794 3.632 3.939 1.00 0.00 WT4 O ATOM 51113 H1 TIP3 7455 41.416 3.881 4.623 1.00 0.00 WT4 H ATOM 51114 H2 TIP3 7455 40.673 4.429 3.423 1.00 0.00 WT4 H ATOM 51115 OH2 TIP3 7461 81.454 49.436 47.506 1.00 0.00 WT4 O ATOM 51116 H1 TIP3 7461 81.399 49.973 46.716 1.00 0.00 WT4 H ATOM 51117 H2 TIP3 7461 81.857 48.619 47.213 1.00 0.00 WT4 H ATOM 51118 OH2 TIP3 7479 21.485 51.684 61.588 1.00 0.00 WT4 O ATOM 51119 H1 TIP3 7479 21.970 51.949 60.806 1.00 0.00 WT4 H ATOM 51120 H2 TIP3 7479 22.045 51.946 62.318 1.00 0.00 WT4 H ATOM 51121 OH2 TIP3 7480 89.165 59.495 55.674 1.00 0.00 WT4 O ATOM 51122 H1 TIP3 7480 88.419 59.585 55.080 1.00 0.00 WT4 H ATOM 51123 H2 TIP3 7480 89.090 60.242 56.267 1.00 0.00 WT4 H ATOM 51124 OH2 TIP3 7481 41.394 71.161 31.112 1.00 0.00 WT4 O ATOM 51125 H1 TIP3 7481 42.273 70.812 31.261 1.00 0.00 WT4 H ATOM 51126 H2 TIP3 7481 41.482 71.708 30.332 1.00 0.00 WT4 H ATOM 51127 OH2 TIP3 7493 85.209 68.528 46.408 1.00 0.00 WT4 O ATOM 51128 H1 TIP3 7493 84.749 68.195 47.178 1.00 0.00 WT4 H ATOM 51129 H2 TIP3 7493 84.580 69.116 45.989 1.00 0.00 WT4 H ATOM 51130 OH2 TIP3 7498 60.917 84.907 -18.421 1.00 0.00 WT4 O ATOM 51131 H1 TIP3 7498 61.197 85.435 -17.674 1.00 0.00 WT4 H ATOM 51132 H2 TIP3 7498 61.059 85.471 -19.181 1.00 0.00 WT4 H ATOM 51133 OH2 TIP3 7500 27.002 30.483 58.195 1.00 0.00 WT4 O ATOM 51134 H1 TIP3 7500 26.502 30.436 57.381 1.00 0.00 WT4 H ATOM 51135 H2 TIP3 7500 27.406 29.620 58.280 1.00 0.00 WT4 H ATOM 51136 OH2 TIP3 7501 24.264 54.759 62.999 1.00 0.00 WT4 O ATOM 51137 H1 TIP3 7501 25.160 54.457 62.850 1.00 0.00 WT4 H ATOM 51138 H2 TIP3 7501 23.757 53.956 63.120 1.00 0.00 WT4 H ATOM 51139 OH2 TIP3 7503 25.421 2.727 48.841 1.00 0.00 WT4 O ATOM 51140 H1 TIP3 7503 25.113 2.825 49.742 1.00 0.00 WT4 H ATOM 51141 H2 TIP3 7503 26.272 3.164 48.829 1.00 0.00 WT4 H ATOM 51142 OH2 TIP3 7504 68.530 89.355 -7.399 1.00 0.00 WT4 O ATOM 51143 H1 TIP3 7504 69.323 88.819 -7.425 1.00 0.00 WT4 H ATOM 51144 H2 TIP3 7504 68.017 88.991 -6.678 1.00 0.00 WT4 H ATOM 51145 OH2 TIP3 7510 87.842 40.763 53.353 1.00 0.00 WT4 O ATOM 51146 H1 TIP3 7510 87.165 40.314 52.847 1.00 0.00 WT4 H ATOM 51147 H2 TIP3 7510 87.395 41.052 54.149 1.00 0.00 WT4 H ATOM 51148 OH2 TIP3 7519 85.919 63.046 18.555 1.00 0.00 WT4 O ATOM 51149 H1 TIP3 7519 85.705 63.686 17.876 1.00 0.00 WT4 H ATOM 51150 H2 TIP3 7519 86.691 62.590 18.219 1.00 0.00 WT4 H ATOM 51151 OH2 TIP3 7522 74.044 87.558 7.560 1.00 0.00 WT4 O ATOM 51152 H1 TIP3 7522 74.770 86.954 7.716 1.00 0.00 WT4 H ATOM 51153 H2 TIP3 7522 73.463 87.087 6.963 1.00 0.00 WT4 H ATOM 51154 OH2 TIP3 7523 50.840 51.963 -16.325 1.00 0.00 WT4 O ATOM 51155 H1 TIP3 7523 50.311 51.169 -16.403 1.00 0.00 WT4 H ATOM 51156 H2 TIP3 7523 50.801 52.188 -15.396 1.00 0.00 WT4 H ATOM 51157 OH2 TIP3 7525 43.371 77.794 6.795 1.00 0.00 WT4 O ATOM 51158 H1 TIP3 7525 44.276 77.930 7.075 1.00 0.00 WT4 H ATOM 51159 H2 TIP3 7525 42.978 77.273 7.495 1.00 0.00 WT4 H ATOM 51160 OH2 TIP3 7526 60.952 45.186 3.875 1.00 0.00 WT4 O ATOM 51161 H1 TIP3 7526 60.594 45.803 4.512 1.00 0.00 WT4 H ATOM 51162 H2 TIP3 7526 60.478 44.370 4.037 1.00 0.00 WT4 H ATOM 51163 OH2 TIP3 7541 46.208 14.315 60.853 1.00 0.00 WT4 O ATOM 51164 H1 TIP3 7541 46.055 14.198 59.915 1.00 0.00 WT4 H ATOM 51165 H2 TIP3 7541 46.970 13.768 61.042 1.00 0.00 WT4 H ATOM 51166 OH2 TIP3 7544 69.583 7.810 -6.239 1.00 0.00 WT4 O ATOM 51167 H1 TIP3 7544 70.285 7.213 -5.979 1.00 0.00 WT4 H ATOM 51168 H2 TIP3 7544 70.037 8.597 -6.541 1.00 0.00 WT4 H ATOM 51169 OH2 TIP3 7545 70.513 63.316 15.718 1.00 0.00 WT4 O ATOM 51170 H1 TIP3 7545 71.126 62.591 15.599 1.00 0.00 WT4 H ATOM 51171 H2 TIP3 7545 69.683 62.989 15.371 1.00 0.00 WT4 H ATOM 51172 OH2 TIP3 7559 82.191 27.375 42.166 1.00 0.00 WT4 O ATOM 51173 H1 TIP3 7559 81.673 27.516 41.373 1.00 0.00 WT4 H ATOM 51174 H2 TIP3 7559 83.001 26.971 41.856 1.00 0.00 WT4 H ATOM 51175 OH2 TIP3 7561 22.488 46.902 21.487 1.00 0.00 WT4 O ATOM 51176 H1 TIP3 7561 23.130 47.501 21.107 1.00 0.00 WT4 H ATOM 51177 H2 TIP3 7561 22.963 46.452 22.185 1.00 0.00 WT4 H ATOM 51178 OH2 TIP3 7563 74.296 62.087 22.989 1.00 0.00 WT4 O ATOM 51179 H1 TIP3 7563 74.230 61.165 22.740 1.00 0.00 WT4 H ATOM 51180 H2 TIP3 7563 73.391 62.398 23.000 1.00 0.00 WT4 H ATOM 51181 OH2 TIP3 7564 61.963 88.277 -17.674 1.00 0.00 WT4 O ATOM 51182 H1 TIP3 7564 62.429 89.082 -17.899 1.00 0.00 WT4 H ATOM 51183 H2 TIP3 7564 61.444 88.506 -16.903 1.00 0.00 WT4 H ATOM 51184 OH2 TIP3 7567 35.539 87.595 -10.074 1.00 0.00 WT4 O ATOM 51185 H1 TIP3 7567 35.419 88.434 -9.629 1.00 0.00 WT4 H ATOM 51186 H2 TIP3 7567 35.586 86.952 -9.366 1.00 0.00 WT4 H ATOM 51187 OH2 TIP3 7582 73.615 39.549 -17.723 1.00 0.00 WT4 O ATOM 51188 H1 TIP3 7582 73.568 39.574 -18.679 1.00 0.00 WT4 H ATOM 51189 H2 TIP3 7582 73.495 38.626 -17.500 1.00 0.00 WT4 H ATOM 51190 OH2 TIP3 7584 77.708 83.025 50.490 1.00 0.00 WT4 O ATOM 51191 H1 TIP3 7584 77.354 82.136 50.505 1.00 0.00 WT4 H ATOM 51192 H2 TIP3 7584 78.556 82.938 50.054 1.00 0.00 WT4 H ATOM 51193 OH2 TIP3 7586 34.264 19.094 28.790 1.00 0.00 WT4 O ATOM 51194 H1 TIP3 7586 34.093 19.061 27.849 1.00 0.00 WT4 H ATOM 51195 H2 TIP3 7586 33.399 19.195 29.188 1.00 0.00 WT4 H ATOM 51196 OH2 TIP3 7594 32.525 54.953 39.506 1.00 0.00 WT4 O ATOM 51197 H1 TIP3 7594 31.627 55.281 39.546 1.00 0.00 WT4 H ATOM 51198 H2 TIP3 7594 33.018 55.654 39.080 1.00 0.00 WT4 H ATOM 51199 OH2 TIP3 7602 61.919 35.668 30.579 1.00 0.00 WT4 O ATOM 51200 H1 TIP3 7602 61.139 36.130 30.268 1.00 0.00 WT4 H ATOM 51201 H2 TIP3 7602 62.628 35.998 30.027 1.00 0.00 WT4 H ATOM 51202 OH2 TIP3 7605 71.119 21.040 67.084 1.00 0.00 WT4 O ATOM 51203 H1 TIP3 7605 71.761 20.418 67.427 1.00 0.00 WT4 H ATOM 51204 H2 TIP3 7605 71.434 21.251 66.206 1.00 0.00 WT4 H ATOM 51205 OH2 TIP3 7608 79.254 33.907 64.750 1.00 0.00 WT4 O ATOM 51206 H1 TIP3 7608 79.506 33.281 64.072 1.00 0.00 WT4 H ATOM 51207 H2 TIP3 7608 79.310 34.761 64.322 1.00 0.00 WT4 H ATOM 51208 OH2 TIP3 7612 29.124 75.298 -18.018 1.00 0.00 WT4 O ATOM 51209 H1 TIP3 7612 29.048 74.444 -17.593 1.00 0.00 WT4 H ATOM 51210 H2 TIP3 7612 29.025 75.112 -18.951 1.00 0.00 WT4 H ATOM 51211 OH2 TIP3 7625 21.825 58.275 4.147 1.00 0.00 WT4 O ATOM 51212 H1 TIP3 7625 22.054 57.517 3.608 1.00 0.00 WT4 H ATOM 51213 H2 TIP3 7625 20.872 58.229 4.233 1.00 0.00 WT4 H ATOM 51214 OH2 TIP3 7626 77.735 89.672 60.082 1.00 0.00 WT4 O ATOM 51215 H1 TIP3 7626 76.848 89.699 59.722 1.00 0.00 WT4 H ATOM 51216 H2 TIP3 7626 77.738 90.343 60.764 1.00 0.00 WT4 H ATOM 51217 OH2 TIP3 7628 20.271 15.126 6.805 1.00 0.00 WT4 O ATOM 51218 H1 TIP3 7628 20.978 14.484 6.859 1.00 0.00 WT4 H ATOM 51219 H2 TIP3 7628 20.691 15.918 6.467 1.00 0.00 WT4 H ATOM 51220 OH2 TIP3 7629 66.473 72.202 51.231 1.00 0.00 WT4 O ATOM 51221 H1 TIP3 7629 66.964 71.561 51.745 1.00 0.00 WT4 H ATOM 51222 H2 TIP3 7629 65.631 72.276 51.680 1.00 0.00 WT4 H ATOM 51223 OH2 TIP3 7630 89.497 31.400 -19.274 1.00 0.00 WT4 O ATOM 51224 H1 TIP3 7630 89.400 32.246 -19.712 1.00 0.00 WT4 H ATOM 51225 H2 TIP3 7630 89.202 30.759 -19.921 1.00 0.00 WT4 H ATOM 51226 OH2 TIP3 7631 60.803 95.447 38.492 1.00 0.00 WT4 O ATOM 51227 H1 TIP3 7631 60.036 95.970 38.257 1.00 0.00 WT4 H ATOM 51228 H2 TIP3 7631 61.548 95.953 38.170 1.00 0.00 WT4 H ATOM 51229 OH2 TIP3 7643 42.942 2.830 -4.097 1.00 0.00 WT4 O ATOM 51230 H1 TIP3 7643 42.440 3.445 -3.562 1.00 0.00 WT4 H ATOM 51231 H2 TIP3 7643 43.219 2.149 -3.483 1.00 0.00 WT4 H ATOM 51232 OH2 TIP3 7644 37.899 53.221 -4.872 1.00 0.00 WT4 O ATOM 51233 H1 TIP3 7644 38.714 53.713 -4.969 1.00 0.00 WT4 H ATOM 51234 H2 TIP3 7644 38.168 52.382 -4.499 1.00 0.00 WT4 H ATOM 51235 OH2 TIP3 7645 44.770 54.473 52.563 1.00 0.00 WT4 O ATOM 51236 H1 TIP3 7645 45.085 55.278 52.974 1.00 0.00 WT4 H ATOM 51237 H2 TIP3 7645 43.908 54.325 52.954 1.00 0.00 WT4 H ATOM 51238 OH2 TIP3 7646 58.907 81.741 57.773 1.00 0.00 WT4 O ATOM 51239 H1 TIP3 7646 58.336 82.218 57.170 1.00 0.00 WT4 H ATOM 51240 H2 TIP3 7646 59.064 80.902 57.341 1.00 0.00 WT4 H ATOM 51241 OH2 TIP3 7647 27.900 23.002 16.059 1.00 0.00 WT4 O ATOM 51242 H1 TIP3 7647 28.367 23.785 15.769 1.00 0.00 WT4 H ATOM 51243 H2 TIP3 7647 27.210 23.333 16.634 1.00 0.00 WT4 H ATOM 51244 OH2 TIP3 7649 69.119 28.458 66.786 1.00 0.00 WT4 O ATOM 51245 H1 TIP3 7649 68.608 29.194 66.448 1.00 0.00 WT4 H ATOM 51246 H2 TIP3 7649 69.581 28.815 67.545 1.00 0.00 WT4 H ATOM 51247 OH2 TIP3 7650 56.249 17.067 14.491 1.00 0.00 WT4 O ATOM 51248 H1 TIP3 7650 56.494 17.927 14.147 1.00 0.00 WT4 H ATOM 51249 H2 TIP3 7650 55.295 17.098 14.555 1.00 0.00 WT4 H ATOM 51250 OH2 TIP3 7652 61.970 73.930 64.979 1.00 0.00 WT4 O ATOM 51251 H1 TIP3 7652 61.766 73.698 64.073 1.00 0.00 WT4 H ATOM 51252 H2 TIP3 7652 61.639 73.194 65.495 1.00 0.00 WT4 H ATOM 51253 OH2 TIP3 7653 87.043 30.422 54.120 1.00 0.00 WT4 O ATOM 51254 H1 TIP3 7653 87.253 29.499 53.979 1.00 0.00 WT4 H ATOM 51255 H2 TIP3 7653 86.554 30.434 54.942 1.00 0.00 WT4 H ATOM 51256 OH2 TIP3 7663 68.966 12.022 67.003 1.00 0.00 WT4 O ATOM 51257 H1 TIP3 7663 69.210 11.321 66.399 1.00 0.00 WT4 H ATOM 51258 H2 TIP3 7663 68.010 12.059 66.953 1.00 0.00 WT4 H ATOM 51259 OH2 TIP3 7668 59.976 74.774 35.552 1.00 0.00 WT4 O ATOM 51260 H1 TIP3 7668 59.337 74.982 36.233 1.00 0.00 WT4 H ATOM 51261 H2 TIP3 7668 59.634 73.984 35.134 1.00 0.00 WT4 H ATOM 51262 OH2 TIP3 7669 36.429 80.771 65.677 1.00 0.00 WT4 O ATOM 51263 H1 TIP3 7669 35.573 80.894 66.087 1.00 0.00 WT4 H ATOM 51264 H2 TIP3 7669 36.233 80.642 64.749 1.00 0.00 WT4 H ATOM 51265 OH2 TIP3 7670 62.231 78.576 17.258 1.00 0.00 WT4 O ATOM 51266 H1 TIP3 7670 62.477 77.936 17.925 1.00 0.00 WT4 H ATOM 51267 H2 TIP3 7670 62.138 78.063 16.455 1.00 0.00 WT4 H ATOM 51268 OH2 TIP3 7671 90.838 92.137 26.016 1.00 0.00 WT4 O ATOM 51269 H1 TIP3 7671 89.903 91.945 25.946 1.00 0.00 WT4 H ATOM 51270 H2 TIP3 7671 90.971 92.896 25.448 1.00 0.00 WT4 H ATOM 51271 OH2 TIP3 7686 27.976 58.708 60.915 1.00 0.00 WT4 O ATOM 51272 H1 TIP3 7686 28.380 57.881 61.176 1.00 0.00 WT4 H ATOM 51273 H2 TIP3 7686 27.941 58.666 59.959 1.00 0.00 WT4 H ATOM 51274 OH2 TIP3 7690 30.101 83.111 46.954 1.00 0.00 WT4 O ATOM 51275 H1 TIP3 7690 29.337 83.488 47.391 1.00 0.00 WT4 H ATOM 51276 H2 TIP3 7690 29.943 82.167 46.969 1.00 0.00 WT4 H ATOM 51277 OH2 TIP3 7691 56.553 71.321 65.922 1.00 0.00 WT4 O ATOM 51278 H1 TIP3 7691 55.687 70.925 66.021 1.00 0.00 WT4 H ATOM 51279 H2 TIP3 7691 56.694 71.797 66.740 1.00 0.00 WT4 H ATOM 51280 OH2 TIP3 7694 75.008 79.829 60.849 1.00 0.00 WT4 O ATOM 51281 H1 TIP3 7694 74.998 80.630 60.326 1.00 0.00 WT4 H ATOM 51282 H2 TIP3 7694 74.135 79.455 60.733 1.00 0.00 WT4 H ATOM 51283 OH2 TIP3 7695 24.508 3.418 9.060 1.00 0.00 WT4 O ATOM 51284 H1 TIP3 7695 24.881 2.832 9.719 1.00 0.00 WT4 H ATOM 51285 H2 TIP3 7695 23.646 3.651 9.407 1.00 0.00 WT4 H ATOM 51286 OH2 TIP3 7696 40.988 93.721 32.241 1.00 0.00 WT4 O ATOM 51287 H1 TIP3 7696 41.327 93.948 33.107 1.00 0.00 WT4 H ATOM 51288 H2 TIP3 7696 41.323 94.407 31.664 1.00 0.00 WT4 H ATOM 51289 OH2 TIP3 7698 64.452 57.621 60.154 1.00 0.00 WT4 O ATOM 51290 H1 TIP3 7698 63.501 57.726 60.138 1.00 0.00 WT4 H ATOM 51291 H2 TIP3 7698 64.785 58.483 60.404 1.00 0.00 WT4 H ATOM 51292 OH2 TIP3 7705 74.083 93.353 65.275 1.00 0.00 WT4 O ATOM 51293 H1 TIP3 7705 73.270 93.820 65.467 1.00 0.00 WT4 H ATOM 51294 H2 TIP3 7705 74.657 94.018 64.895 1.00 0.00 WT4 H ATOM 51295 OH2 TIP3 7707 36.351 54.739 48.938 1.00 0.00 WT4 O ATOM 51296 H1 TIP3 7707 37.047 54.688 49.593 1.00 0.00 WT4 H ATOM 51297 H2 TIP3 7707 36.752 55.191 48.196 1.00 0.00 WT4 H ATOM 51298 OH2 TIP3 7708 56.299 91.692 29.907 1.00 0.00 WT4 O ATOM 51299 H1 TIP3 7708 56.700 92.434 29.455 1.00 0.00 WT4 H ATOM 51300 H2 TIP3 7708 56.499 90.937 29.355 1.00 0.00 WT4 H ATOM 51301 OH2 TIP3 7710 82.448 90.808 17.205 1.00 0.00 WT4 O ATOM 51302 H1 TIP3 7710 81.540 90.834 17.506 1.00 0.00 WT4 H ATOM 51303 H2 TIP3 7710 82.676 89.879 17.206 1.00 0.00 WT4 H ATOM 51304 OH2 TIP3 7712 45.930 37.259 52.552 1.00 0.00 WT4 O ATOM 51305 H1 TIP3 7712 45.699 37.175 51.627 1.00 0.00 WT4 H ATOM 51306 H2 TIP3 7712 45.621 38.131 52.797 1.00 0.00 WT4 H ATOM 51307 OH2 TIP3 7713 71.633 13.251 47.144 1.00 0.00 WT4 O ATOM 51308 H1 TIP3 7713 71.721 12.832 46.288 1.00 0.00 WT4 H ATOM 51309 H2 TIP3 7713 71.338 14.140 46.946 1.00 0.00 WT4 H ATOM 51310 OH2 TIP3 7716 25.706 89.389 -13.358 1.00 0.00 WT4 O ATOM 51311 H1 TIP3 7716 25.814 88.731 -14.045 1.00 0.00 WT4 H ATOM 51312 H2 TIP3 7716 26.154 90.164 -13.696 1.00 0.00 WT4 H ATOM 51313 OH2 TIP3 7734 66.275 10.026 8.828 1.00 0.00 WT4 O ATOM 51314 H1 TIP3 7734 67.114 10.189 8.397 1.00 0.00 WT4 H ATOM 51315 H2 TIP3 7734 66.267 10.626 9.573 1.00 0.00 WT4 H ATOM 51316 OH2 TIP3 7735 46.407 57.847 12.145 1.00 0.00 WT4 O ATOM 51317 H1 TIP3 7735 46.537 57.968 11.204 1.00 0.00 WT4 H ATOM 51318 H2 TIP3 7735 46.543 58.717 12.520 1.00 0.00 WT4 H ATOM 51319 OH2 TIP3 7757 64.425 71.457 14.264 1.00 0.00 WT4 O ATOM 51320 H1 TIP3 7757 64.228 71.155 13.378 1.00 0.00 WT4 H ATOM 51321 H2 TIP3 7757 64.826 70.700 14.692 1.00 0.00 WT4 H ATOM 51322 OH2 TIP3 7791 20.996 10.526 1.439 1.00 0.00 WT4 O ATOM 51323 H1 TIP3 7791 20.356 10.761 2.111 1.00 0.00 WT4 H ATOM 51324 H2 TIP3 7791 21.572 11.288 1.378 1.00 0.00 WT4 H ATOM 51325 OH2 TIP3 7872 63.980 83.959 13.349 1.00 0.00 WT4 O ATOM 51326 H1 TIP3 7872 64.106 83.478 12.531 1.00 0.00 WT4 H ATOM 51327 H2 TIP3 7872 63.396 83.404 13.866 1.00 0.00 WT4 H ATOM 51328 OH2 TIP3 7895 25.934 13.486 9.034 1.00 0.00 WT4 O ATOM 51329 H1 TIP3 7895 26.102 14.198 9.651 1.00 0.00 WT4 H ATOM 51330 H2 TIP3 7895 26.612 13.583 8.364 1.00 0.00 WT4 H ATOM 51331 OH2 TIP3 7922 87.917 58.456 44.305 1.00 0.00 WT4 O ATOM 51332 H1 TIP3 7922 88.614 58.077 44.840 1.00 0.00 WT4 H ATOM 51333 H2 TIP3 7922 88.301 58.538 43.432 1.00 0.00 WT4 H ATOM 51334 OH2 TIP3 7933 61.106 61.897 59.814 1.00 0.00 WT4 O ATOM 51335 H1 TIP3 7933 60.866 61.537 60.668 1.00 0.00 WT4 H ATOM 51336 H2 TIP3 7933 60.454 62.577 59.648 1.00 0.00 WT4 H ATOM 51337 OH2 TIP3 7938 84.281 54.180 29.366 1.00 0.00 WT4 O ATOM 51338 H1 TIP3 7938 84.565 53.981 28.474 1.00 0.00 WT4 H ATOM 51339 H2 TIP3 7938 83.575 54.816 29.257 1.00 0.00 WT4 H ATOM 51340 OH2 TIP3 7939 86.094 69.630 13.818 1.00 0.00 WT4 O ATOM 51341 H1 TIP3 7939 86.608 69.420 14.598 1.00 0.00 WT4 H ATOM 51342 H2 TIP3 7939 86.746 69.808 13.141 1.00 0.00 WT4 H ATOM 51343 OH2 TIP3 7941 64.178 32.978 34.159 1.00 0.00 WT4 O ATOM 51344 H1 TIP3 7941 63.879 33.798 33.765 1.00 0.00 WT4 H ATOM 51345 H2 TIP3 7941 63.754 32.294 33.640 1.00 0.00 WT4 H ATOM 51346 OH2 TIP3 7942 31.933 41.436 29.238 1.00 0.00 WT4 O ATOM 51347 H1 TIP3 7942 31.940 41.139 28.328 1.00 0.00 WT4 H ATOM 51348 H2 TIP3 7942 32.194 42.355 29.193 1.00 0.00 WT4 H ATOM 51349 OH2 TIP3 7947 64.556 77.320 -10.305 1.00 0.00 WT4 O ATOM 51350 H1 TIP3 7947 65.288 77.622 -9.767 1.00 0.00 WT4 H ATOM 51351 H2 TIP3 7947 64.105 76.676 -9.758 1.00 0.00 WT4 H ATOM 51352 OH2 TIP3 7949 27.521 38.056 -8.059 1.00 0.00 WT4 O ATOM 51353 H1 TIP3 7949 28.292 37.521 -8.249 1.00 0.00 WT4 H ATOM 51354 H2 TIP3 7949 27.850 38.955 -8.045 1.00 0.00 WT4 H ATOM 51355 OH2 TIP3 7961 81.365 49.261 59.260 1.00 0.00 WT4 O ATOM 51356 H1 TIP3 7961 81.991 49.726 58.706 1.00 0.00 WT4 H ATOM 51357 H2 TIP3 7961 81.899 48.873 59.954 1.00 0.00 WT4 H ATOM 51358 OH2 TIP3 7962 89.002 83.426 35.763 1.00 0.00 WT4 O ATOM 51359 H1 TIP3 7962 88.115 83.596 35.447 1.00 0.00 WT4 H ATOM 51360 H2 TIP3 7962 89.156 82.503 35.563 1.00 0.00 WT4 H ATOM 51361 OH2 TIP3 7963 30.676 58.894 53.072 1.00 0.00 WT4 O ATOM 51362 H1 TIP3 7963 31.103 59.730 52.886 1.00 0.00 WT4 H ATOM 51363 H2 TIP3 7963 30.340 58.989 53.963 1.00 0.00 WT4 H ATOM 51364 OH2 TIP3 7964 73.213 3.938 15.648 1.00 0.00 WT4 O ATOM 51365 H1 TIP3 7964 73.561 3.093 15.363 1.00 0.00 WT4 H ATOM 51366 H2 TIP3 7964 73.715 4.583 15.150 1.00 0.00 WT4 H ATOM 51367 OH2 TIP3 7965 33.326 53.173 65.050 1.00 0.00 WT4 O ATOM 51368 H1 TIP3 7965 32.580 53.771 65.086 1.00 0.00 WT4 H ATOM 51369 H2 TIP3 7965 32.933 52.300 65.031 1.00 0.00 WT4 H ATOM 51370 OH2 TIP3 7967 29.708 8.076 51.426 1.00 0.00 WT4 O ATOM 51371 H1 TIP3 7967 29.850 8.015 52.371 1.00 0.00 WT4 H ATOM 51372 H2 TIP3 7967 29.701 7.167 51.125 1.00 0.00 WT4 H ATOM 51373 OH2 TIP3 7969 21.455 74.157 24.507 1.00 0.00 WT4 O ATOM 51374 H1 TIP3 7969 21.570 73.288 24.891 1.00 0.00 WT4 H ATOM 51375 H2 TIP3 7969 22.164 74.680 24.879 1.00 0.00 WT4 H ATOM 51376 OH2 TIP3 7981 73.632 49.447 -1.862 1.00 0.00 WT4 O ATOM 51377 H1 TIP3 7981 73.197 50.046 -1.255 1.00 0.00 WT4 H ATOM 51378 H2 TIP3 7981 72.935 49.151 -2.448 1.00 0.00 WT4 H ATOM 51379 OH2 TIP3 7983 66.911 3.262 41.538 1.00 0.00 WT4 O ATOM 51380 H1 TIP3 7983 67.130 3.187 40.609 1.00 0.00 WT4 H ATOM 51381 H2 TIP3 7983 66.316 2.532 41.704 1.00 0.00 WT4 H ATOM 51382 OH2 TIP3 7984 25.753 65.676 41.999 1.00 0.00 WT4 O ATOM 51383 H1 TIP3 7984 25.976 65.782 41.075 1.00 0.00 WT4 H ATOM 51384 H2 TIP3 7984 25.475 64.763 42.075 1.00 0.00 WT4 H ATOM 51385 OH2 TIP3 7985 67.028 89.202 54.067 1.00 0.00 WT4 O ATOM 51386 H1 TIP3 7985 67.799 89.767 54.019 1.00 0.00 WT4 H ATOM 51387 H2 TIP3 7985 66.908 88.882 53.173 1.00 0.00 WT4 H ATOM 51388 OH2 TIP3 7986 69.884 49.816 60.671 1.00 0.00 WT4 O ATOM 51389 H1 TIP3 7986 69.377 50.582 60.941 1.00 0.00 WT4 H ATOM 51390 H2 TIP3 7986 69.702 49.726 59.735 1.00 0.00 WT4 H ATOM 51391 OH2 TIP3 7987 26.950 16.218 38.291 1.00 0.00 WT4 O ATOM 51392 H1 TIP3 7987 27.491 15.536 38.690 1.00 0.00 WT4 H ATOM 51393 H2 TIP3 7987 27.577 16.875 37.988 1.00 0.00 WT4 H ATOM 51394 OH2 TIP3 8003 74.185 73.248 24.577 1.00 0.00 WT4 O ATOM 51395 H1 TIP3 8003 73.629 73.213 23.798 1.00 0.00 WT4 H ATOM 51396 H2 TIP3 8003 73.698 73.792 25.196 1.00 0.00 WT4 H ATOM 51397 OH2 TIP3 8004 73.917 80.866 -5.256 1.00 0.00 WT4 O ATOM 51398 H1 TIP3 8004 73.420 80.678 -4.459 1.00 0.00 WT4 H ATOM 51399 H2 TIP3 8004 74.819 80.635 -5.036 1.00 0.00 WT4 H ATOM 51400 OH2 TIP3 8005 29.712 58.915 -5.753 1.00 0.00 WT4 O ATOM 51401 H1 TIP3 8005 29.019 58.455 -6.227 1.00 0.00 WT4 H ATOM 51402 H2 TIP3 8005 30.093 58.249 -5.180 1.00 0.00 WT4 H ATOM 51403 OH2 TIP3 8007 41.742 55.982 -1.703 1.00 0.00 WT4 O ATOM 51404 H1 TIP3 8007 41.713 56.929 -1.564 1.00 0.00 WT4 H ATOM 51405 H2 TIP3 8007 41.391 55.611 -0.893 1.00 0.00 WT4 H ATOM 51406 OH2 TIP3 8022 45.191 9.910 55.233 1.00 0.00 WT4 O ATOM 51407 H1 TIP3 8022 44.537 10.392 54.728 1.00 0.00 WT4 H ATOM 51408 H2 TIP3 8022 45.588 9.310 54.602 1.00 0.00 WT4 H ATOM 51409 OH2 TIP3 8024 64.152 0.931 31.683 1.00 0.00 WT4 O ATOM 51410 H1 TIP3 8024 64.172 1.562 32.402 1.00 0.00 WT4 H ATOM 51411 H2 TIP3 8024 63.221 0.756 31.542 1.00 0.00 WT4 H ATOM 51412 OH2 TIP3 8027 35.127 48.883 -16.330 1.00 0.00 WT4 O ATOM 51413 H1 TIP3 8027 34.763 49.767 -16.278 1.00 0.00 WT4 H ATOM 51414 H2 TIP3 8027 35.733 48.829 -15.591 1.00 0.00 WT4 H ATOM 51415 OH2 TIP3 8029 30.212 84.616 -11.165 1.00 0.00 WT4 O ATOM 51416 H1 TIP3 8029 30.939 85.235 -11.090 1.00 0.00 WT4 H ATOM 51417 H2 TIP3 8029 30.203 84.366 -12.089 1.00 0.00 WT4 H ATOM 51418 OH2 TIP3 8030 59.958 57.738 53.177 1.00 0.00 WT4 O ATOM 51419 H1 TIP3 8030 60.791 57.270 53.115 1.00 0.00 WT4 H ATOM 51420 H2 TIP3 8030 59.311 57.122 52.834 1.00 0.00 WT4 H ATOM 51421 OH2 TIP3 8040 73.369 38.925 -0.716 1.00 0.00 WT4 O ATOM 51422 H1 TIP3 8040 72.780 38.474 -0.110 1.00 0.00 WT4 H ATOM 51423 H2 TIP3 8040 73.619 39.726 -0.255 1.00 0.00 WT4 H ATOM 51424 OH2 TIP3 8041 89.108 63.829 -8.671 1.00 0.00 WT4 O ATOM 51425 H1 TIP3 8041 89.005 64.557 -8.057 1.00 0.00 WT4 H ATOM 51426 H2 TIP3 8041 89.986 63.942 -9.033 1.00 0.00 WT4 H ATOM 51427 OH2 TIP3 8045 37.468 38.672 54.180 1.00 0.00 WT4 O ATOM 51428 H1 TIP3 8045 37.869 39.532 54.303 1.00 0.00 WT4 H ATOM 51429 H2 TIP3 8045 36.526 38.843 54.197 1.00 0.00 WT4 H ATOM 51430 OH2 TIP3 8046 38.009 65.736 53.335 1.00 0.00 WT4 O ATOM 51431 H1 TIP3 8046 38.118 66.638 53.032 1.00 0.00 WT4 H ATOM 51432 H2 TIP3 8046 38.754 65.588 53.918 1.00 0.00 WT4 H ATOM 51433 OH2 TIP3 8047 85.333 58.510 61.165 1.00 0.00 WT4 O ATOM 51434 H1 TIP3 8047 85.147 59.295 61.681 1.00 0.00 WT4 H ATOM 51435 H2 TIP3 8047 84.471 58.134 60.983 1.00 0.00 WT4 H ATOM 51436 OH2 TIP3 8052 79.791 14.084 47.860 1.00 0.00 WT4 O ATOM 51437 H1 TIP3 8052 79.154 14.118 47.147 1.00 0.00 WT4 H ATOM 51438 H2 TIP3 8052 80.481 13.504 47.539 1.00 0.00 WT4 H ATOM 51439 OH2 TIP3 8063 33.642 48.410 -12.064 1.00 0.00 WT4 O ATOM 51440 H1 TIP3 8063 33.344 49.301 -11.879 1.00 0.00 WT4 H ATOM 51441 H2 TIP3 8063 33.627 47.971 -11.213 1.00 0.00 WT4 H ATOM 51442 OH2 TIP3 8064 61.246 82.067 42.610 1.00 0.00 WT4 O ATOM 51443 H1 TIP3 8064 60.379 82.400 42.378 1.00 0.00 WT4 H ATOM 51444 H2 TIP3 8064 61.160 81.115 42.556 1.00 0.00 WT4 H ATOM 51445 OH2 TIP3 8067 25.769 94.217 43.692 1.00 0.00 WT4 O ATOM 51446 H1 TIP3 8067 25.938 95.058 43.267 1.00 0.00 WT4 H ATOM 51447 H2 TIP3 8067 26.450 93.636 43.353 1.00 0.00 WT4 H ATOM 51448 OH2 TIP3 8068 72.006 58.447 -19.754 1.00 0.00 WT4 O ATOM 51449 H1 TIP3 8068 71.436 58.949 -20.337 1.00 0.00 WT4 H ATOM 51450 H2 TIP3 8068 71.439 57.768 -19.389 1.00 0.00 WT4 H ATOM 51451 OH2 TIP3 8069 36.840 45.988 -6.975 1.00 0.00 WT4 O ATOM 51452 H1 TIP3 8069 37.718 46.344 -6.841 1.00 0.00 WT4 H ATOM 51453 H2 TIP3 8069 36.497 45.858 -6.091 1.00 0.00 WT4 H ATOM 51454 OH2 TIP3 8070 73.177 71.650 40.311 1.00 0.00 WT4 O ATOM 51455 H1 TIP3 8070 72.542 71.520 41.016 1.00 0.00 WT4 H ATOM 51456 H2 TIP3 8070 72.683 71.479 39.509 1.00 0.00 WT4 H ATOM 51457 OH2 TIP3 8071 78.494 85.749 17.234 1.00 0.00 WT4 O ATOM 51458 H1 TIP3 8071 78.993 85.732 18.050 1.00 0.00 WT4 H ATOM 51459 H2 TIP3 8071 78.166 84.856 17.134 1.00 0.00 WT4 H ATOM 51460 OH2 TIP3 8075 48.903 69.136 28.251 1.00 0.00 WT4 O ATOM 51461 H1 TIP3 8075 48.634 68.581 28.982 1.00 0.00 WT4 H ATOM 51462 H2 TIP3 8075 49.688 68.714 27.904 1.00 0.00 WT4 H ATOM 51463 OH2 TIP3 8084 71.616 68.173 49.723 1.00 0.00 WT4 O ATOM 51464 H1 TIP3 8084 71.316 67.292 49.948 1.00 0.00 WT4 H ATOM 51465 H2 TIP3 8084 70.841 68.608 49.367 1.00 0.00 WT4 H ATOM 51466 OH2 TIP3 8085 66.306 84.335 47.061 1.00 0.00 WT4 O ATOM 51467 H1 TIP3 8085 66.710 84.749 46.299 1.00 0.00 WT4 H ATOM 51468 H2 TIP3 8085 65.365 84.436 46.919 1.00 0.00 WT4 H ATOM 51469 OH2 TIP3 8087 79.467 68.465 42.796 1.00 0.00 WT4 O ATOM 51470 H1 TIP3 8087 79.816 68.510 41.906 1.00 0.00 WT4 H ATOM 51471 H2 TIP3 8087 79.919 69.165 43.267 1.00 0.00 WT4 H ATOM 51472 OH2 TIP3 8088 27.219 91.088 36.169 1.00 0.00 WT4 O ATOM 51473 H1 TIP3 8088 27.706 91.164 36.990 1.00 0.00 WT4 H ATOM 51474 H2 TIP3 8088 27.893 91.099 35.489 1.00 0.00 WT4 H ATOM 51475 OH2 TIP3 8089 63.778 10.818 -8.845 1.00 0.00 WT4 O ATOM 51476 H1 TIP3 8089 64.629 10.785 -9.283 1.00 0.00 WT4 H ATOM 51477 H2 TIP3 8089 63.989 10.924 -7.918 1.00 0.00 WT4 H ATOM 51478 OH2 TIP3 8091 75.032 82.024 63.168 1.00 0.00 WT4 O ATOM 51479 H1 TIP3 8091 75.329 81.205 63.565 1.00 0.00 WT4 H ATOM 51480 H2 TIP3 8091 75.283 81.949 62.247 1.00 0.00 WT4 H ATOM 51481 OH2 TIP3 8092 86.621 23.596 -3.008 1.00 0.00 WT4 O ATOM 51482 H1 TIP3 8092 86.030 23.745 -3.746 1.00 0.00 WT4 H ATOM 51483 H2 TIP3 8092 87.449 23.992 -3.281 1.00 0.00 WT4 H ATOM 51484 OH2 TIP3 8093 45.153 79.943 40.247 1.00 0.00 WT4 O ATOM 51485 H1 TIP3 8093 45.344 80.760 39.785 1.00 0.00 WT4 H ATOM 51486 H2 TIP3 8093 44.652 79.424 39.617 1.00 0.00 WT4 H ATOM 51487 OH2 TIP3 8095 73.760 80.069 -15.414 1.00 0.00 WT4 O ATOM 51488 H1 TIP3 8095 74.140 80.922 -15.626 1.00 0.00 WT4 H ATOM 51489 H2 TIP3 8095 72.850 80.262 -15.187 1.00 0.00 WT4 H ATOM 51490 OH2 TIP3 8096 73.096 39.135 20.790 1.00 0.00 WT4 O ATOM 51491 H1 TIP3 8096 73.328 39.942 21.249 1.00 0.00 WT4 H ATOM 51492 H2 TIP3 8096 72.292 39.351 20.317 1.00 0.00 WT4 H ATOM 51493 OH2 TIP3 8104 49.109 43.651 50.951 1.00 0.00 WT4 O ATOM 51494 H1 TIP3 8104 48.933 43.474 51.875 1.00 0.00 WT4 H ATOM 51495 H2 TIP3 8104 48.304 43.398 50.500 1.00 0.00 WT4 H ATOM 51496 OH2 TIP3 8106 69.394 1.219 14.699 1.00 0.00 WT4 O ATOM 51497 H1 TIP3 8106 70.350 1.243 14.709 1.00 0.00 WT4 H ATOM 51498 H2 TIP3 8106 69.178 0.462 14.154 1.00 0.00 WT4 H ATOM 51499 OH2 TIP3 8107 72.151 67.444 38.567 1.00 0.00 WT4 O ATOM 51500 H1 TIP3 8107 72.864 67.332 37.938 1.00 0.00 WT4 H ATOM 51501 H2 TIP3 8107 72.534 67.965 39.273 1.00 0.00 WT4 H ATOM 51502 OH2 TIP3 8109 43.010 96.315 51.579 1.00 0.00 WT4 O ATOM 51503 H1 TIP3 8109 42.700 96.464 50.686 1.00 0.00 WT4 H ATOM 51504 H2 TIP3 8109 42.865 95.381 51.730 1.00 0.00 WT4 H ATOM 51505 OH2 TIP3 8110 81.137 88.346 42.050 1.00 0.00 WT4 O ATOM 51506 H1 TIP3 8110 81.083 89.291 41.911 1.00 0.00 WT4 H ATOM 51507 H2 TIP3 8110 80.297 88.112 42.444 1.00 0.00 WT4 H ATOM 51508 OH2 TIP3 8111 71.650 40.336 -2.389 1.00 0.00 WT4 O ATOM 51509 H1 TIP3 8111 72.103 39.991 -1.619 1.00 0.00 WT4 H ATOM 51510 H2 TIP3 8111 72.336 40.772 -2.895 1.00 0.00 WT4 H ATOM 51511 OH2 TIP3 8112 85.562 86.127 67.114 1.00 0.00 WT4 O ATOM 51512 H1 TIP3 8112 85.853 85.974 66.215 1.00 0.00 WT4 H ATOM 51513 H2 TIP3 8112 86.369 86.301 67.600 1.00 0.00 WT4 H ATOM 51514 OH2 TIP3 8113 48.226 79.027 36.689 1.00 0.00 WT4 O ATOM 51515 H1 TIP3 8113 48.590 78.451 37.361 1.00 0.00 WT4 H ATOM 51516 H2 TIP3 8113 48.283 78.518 35.880 1.00 0.00 WT4 H ATOM 51517 OH2 TIP3 8114 90.498 10.742 -16.911 1.00 0.00 WT4 O ATOM 51518 H1 TIP3 8114 89.995 10.488 -17.684 1.00 0.00 WT4 H ATOM 51519 H2 TIP3 8114 90.659 9.919 -16.449 1.00 0.00 WT4 H ATOM 51520 OH2 TIP3 8129 39.608 76.828 57.481 1.00 0.00 WT4 O ATOM 51521 H1 TIP3 8129 40.431 76.756 57.965 1.00 0.00 WT4 H ATOM 51522 H2 TIP3 8129 39.862 77.178 56.628 1.00 0.00 WT4 H ATOM 51523 OH2 TIP3 8135 30.018 59.351 0.015 1.00 0.00 WT4 O ATOM 51524 H1 TIP3 8135 30.159 59.669 0.907 1.00 0.00 WT4 H ATOM 51525 H2 TIP3 8135 30.898 59.261 -0.350 1.00 0.00 WT4 H ATOM 51526 OH2 TIP3 8150 50.715 66.376 52.548 1.00 0.00 WT4 O ATOM 51527 H1 TIP3 8150 50.564 65.714 51.874 1.00 0.00 WT4 H ATOM 51528 H2 TIP3 8150 51.401 66.003 53.102 1.00 0.00 WT4 H ATOM 51529 OH2 TIP3 8154 22.346 54.572 65.691 1.00 0.00 WT4 O ATOM 51530 H1 TIP3 8154 23.073 55.160 65.891 1.00 0.00 WT4 H ATOM 51531 H2 TIP3 8154 21.639 55.151 65.405 1.00 0.00 WT4 H ATOM 51532 OH2 TIP3 8155 44.423 86.242 -18.684 1.00 0.00 WT4 O ATOM 51533 H1 TIP3 8155 44.189 85.498 -18.130 1.00 0.00 WT4 H ATOM 51534 H2 TIP3 8155 43.638 86.409 -19.206 1.00 0.00 WT4 H ATOM 51535 OH2 TIP3 8159 87.339 4.717 44.290 1.00 0.00 WT4 O ATOM 51536 H1 TIP3 8159 87.056 3.844 44.021 1.00 0.00 WT4 H ATOM 51537 H2 TIP3 8159 88.152 4.568 44.773 1.00 0.00 WT4 H ATOM 51538 OH2 TIP3 8174 26.199 92.855 -3.636 1.00 0.00 WT4 O ATOM 51539 H1 TIP3 8174 26.771 92.098 -3.508 1.00 0.00 WT4 H ATOM 51540 H2 TIP3 8174 25.586 92.819 -2.902 1.00 0.00 WT4 H ATOM 51541 OH2 TIP3 8178 40.052 80.133 43.421 1.00 0.00 WT4 O ATOM 51542 H1 TIP3 8178 39.430 79.708 42.830 1.00 0.00 WT4 H ATOM 51543 H2 TIP3 8178 40.912 79.900 43.071 1.00 0.00 WT4 H ATOM 51544 OH2 TIP3 8219 60.191 0.466 35.034 1.00 0.00 WT4 O ATOM 51545 H1 TIP3 8219 60.961 -0.024 34.747 1.00 0.00 WT4 H ATOM 51546 H2 TIP3 8219 59.453 0.018 34.620 1.00 0.00 WT4 H ATOM 51547 OH2 TIP3 8319 71.918 23.565 54.846 1.00 0.00 WT4 O ATOM 51548 H1 TIP3 8319 72.038 23.137 53.998 1.00 0.00 WT4 H ATOM 51549 H2 TIP3 8319 71.864 22.843 55.473 1.00 0.00 WT4 H ATOM 51550 OH2 TIP3 8322 80.443 52.547 7.379 1.00 0.00 WT4 O ATOM 51551 H1 TIP3 8322 80.632 53.416 7.024 1.00 0.00 WT4 H ATOM 51552 H2 TIP3 8322 79.495 52.451 7.287 1.00 0.00 WT4 H ATOM 51553 OH2 TIP3 8324 51.297 45.572 44.704 1.00 0.00 WT4 O ATOM 51554 H1 TIP3 8324 50.554 45.158 44.265 1.00 0.00 WT4 H ATOM 51555 H2 TIP3 8324 51.079 45.534 45.635 1.00 0.00 WT4 H ATOM 51556 OH2 TIP3 8339 28.073 34.577 34.280 1.00 0.00 WT4 O ATOM 51557 H1 TIP3 8339 28.823 34.473 34.866 1.00 0.00 WT4 H ATOM 51558 H2 TIP3 8339 28.452 34.562 33.401 1.00 0.00 WT4 H ATOM 51559 OH2 TIP3 8345 48.784 70.234 49.468 1.00 0.00 WT4 O ATOM 51560 H1 TIP3 8345 49.005 71.126 49.738 1.00 0.00 WT4 H ATOM 51561 H2 TIP3 8345 47.843 70.162 49.622 1.00 0.00 WT4 H ATOM 51562 OH2 TIP3 8364 27.320 72.421 -14.003 1.00 0.00 WT4 O ATOM 51563 H1 TIP3 8364 26.851 72.012 -14.730 1.00 0.00 WT4 H ATOM 51564 H2 TIP3 8364 27.925 71.745 -13.697 1.00 0.00 WT4 H ATOM 51565 OH2 TIP3 8365 82.794 70.825 -17.462 1.00 0.00 WT4 O ATOM 51566 H1 TIP3 8365 82.400 71.629 -17.800 1.00 0.00 WT4 H ATOM 51567 H2 TIP3 8365 82.752 70.211 -18.194 1.00 0.00 WT4 H ATOM 51568 OH2 TIP3 8377 89.531 56.815 -8.167 1.00 0.00 WT4 O ATOM 51569 H1 TIP3 8377 90.405 57.140 -7.954 1.00 0.00 WT4 H ATOM 51570 H2 TIP3 8377 89.139 56.606 -7.319 1.00 0.00 WT4 H ATOM 51571 OH2 TIP3 8378 26.941 45.660 56.866 1.00 0.00 WT4 O ATOM 51572 H1 TIP3 8378 27.323 45.528 55.998 1.00 0.00 WT4 H ATOM 51573 H2 TIP3 8378 26.058 45.296 56.798 1.00 0.00 WT4 H ATOM 51574 OH2 TIP3 8381 84.972 79.939 -15.323 1.00 0.00 WT4 O ATOM 51575 H1 TIP3 8381 85.766 79.946 -14.788 1.00 0.00 WT4 H ATOM 51576 H2 TIP3 8381 84.364 80.513 -14.858 1.00 0.00 WT4 H ATOM 51577 OH2 TIP3 8382 44.036 69.467 -3.570 1.00 0.00 WT4 O ATOM 51578 H1 TIP3 8382 44.410 69.575 -2.695 1.00 0.00 WT4 H ATOM 51579 H2 TIP3 8382 43.829 68.534 -3.628 1.00 0.00 WT4 H ATOM 51580 OH2 TIP3 8384 88.488 85.154 -16.573 1.00 0.00 WT4 O ATOM 51581 H1 TIP3 8384 87.852 84.533 -16.219 1.00 0.00 WT4 H ATOM 51582 H2 TIP3 8384 89.208 84.608 -16.888 1.00 0.00 WT4 H ATOM 51583 OH2 TIP3 8386 80.044 8.388 64.275 1.00 0.00 WT4 O ATOM 51584 H1 TIP3 8386 80.226 8.492 63.341 1.00 0.00 WT4 H ATOM 51585 H2 TIP3 8386 80.790 7.892 64.611 1.00 0.00 WT4 H ATOM 51586 OH2 TIP3 8388 41.179 91.079 34.506 1.00 0.00 WT4 O ATOM 51587 H1 TIP3 8388 40.880 91.970 34.687 1.00 0.00 WT4 H ATOM 51588 H2 TIP3 8388 41.183 91.017 33.551 1.00 0.00 WT4 H ATOM 51589 OH2 TIP3 8389 82.508 51.039 5.991 1.00 0.00 WT4 O ATOM 51590 H1 TIP3 8389 82.244 51.459 6.810 1.00 0.00 WT4 H ATOM 51591 H2 TIP3 8389 82.221 51.643 5.307 1.00 0.00 WT4 H ATOM 51592 OH2 TIP3 8403 25.693 40.934 -4.824 1.00 0.00 WT4 O ATOM 51593 H1 TIP3 8403 24.915 40.388 -4.931 1.00 0.00 WT4 H ATOM 51594 H2 TIP3 8403 25.370 41.832 -4.907 1.00 0.00 WT4 H ATOM 51595 OH2 TIP3 8411 65.182 48.729 57.404 1.00 0.00 WT4 O ATOM 51596 H1 TIP3 8411 64.481 48.439 56.820 1.00 0.00 WT4 H ATOM 51597 H2 TIP3 8411 64.827 49.504 57.839 1.00 0.00 WT4 H ATOM 51598 OH2 TIP3 8421 45.337 8.745 38.023 1.00 0.00 WT4 O ATOM 51599 H1 TIP3 8421 45.811 8.176 37.417 1.00 0.00 WT4 H ATOM 51600 H2 TIP3 8421 45.019 9.464 37.478 1.00 0.00 WT4 H ATOM 51601 OH2 TIP3 8425 77.481 82.689 31.685 1.00 0.00 WT4 O ATOM 51602 H1 TIP3 8425 76.925 83.265 32.210 1.00 0.00 WT4 H ATOM 51603 H2 TIP3 8425 77.497 83.095 30.819 1.00 0.00 WT4 H ATOM 51604 OH2 TIP3 8427 63.844 62.318 -18.067 1.00 0.00 WT4 O ATOM 51605 H1 TIP3 8427 64.119 62.820 -18.835 1.00 0.00 WT4 H ATOM 51606 H2 TIP3 8427 63.058 62.766 -17.756 1.00 0.00 WT4 H ATOM 51607 OH2 TIP3 8428 79.043 18.703 42.907 1.00 0.00 WT4 O ATOM 51608 H1 TIP3 8428 79.539 18.150 42.304 1.00 0.00 WT4 H ATOM 51609 H2 TIP3 8428 78.153 18.352 42.877 1.00 0.00 WT4 H ATOM 51610 OH2 TIP3 8431 79.788 60.470 37.165 1.00 0.00 WT4 O ATOM 51611 H1 TIP3 8431 79.154 59.865 37.550 1.00 0.00 WT4 H ATOM 51612 H2 TIP3 8431 79.285 60.968 36.520 1.00 0.00 WT4 H ATOM 51613 OH2 TIP3 8441 64.034 42.829 26.062 1.00 0.00 WT4 O ATOM 51614 H1 TIP3 8441 64.439 43.691 25.966 1.00 0.00 WT4 H ATOM 51615 H2 TIP3 8441 63.138 43.013 26.341 1.00 0.00 WT4 H ATOM 51616 OH2 TIP3 8442 23.286 67.473 -17.427 1.00 0.00 WT4 O ATOM 51617 H1 TIP3 8442 24.041 66.907 -17.268 1.00 0.00 WT4 H ATOM 51618 H2 TIP3 8442 23.320 67.660 -18.365 1.00 0.00 WT4 H ATOM 51619 OH2 TIP3 8444 78.234 65.710 48.305 1.00 0.00 WT4 O ATOM 51620 H1 TIP3 8444 78.479 65.125 47.588 1.00 0.00 WT4 H ATOM 51621 H2 TIP3 8444 78.514 66.578 48.013 1.00 0.00 WT4 H ATOM 51622 OH2 TIP3 8445 70.110 79.836 -3.038 1.00 0.00 WT4 O ATOM 51623 H1 TIP3 8445 70.212 78.896 -3.189 1.00 0.00 WT4 H ATOM 51624 H2 TIP3 8445 69.203 79.935 -2.749 1.00 0.00 WT4 H ATOM 51625 OH2 TIP3 8446 68.289 11.284 51.051 1.00 0.00 WT4 O ATOM 51626 H1 TIP3 8446 67.348 11.108 51.049 1.00 0.00 WT4 H ATOM 51627 H2 TIP3 8446 68.522 11.359 50.126 1.00 0.00 WT4 H ATOM 51628 OH2 TIP3 8447 25.297 82.188 44.653 1.00 0.00 WT4 O ATOM 51629 H1 TIP3 8447 25.256 82.392 45.588 1.00 0.00 WT4 H ATOM 51630 H2 TIP3 8447 26.227 82.250 44.435 1.00 0.00 WT4 H ATOM 51631 OH2 TIP3 8449 48.415 74.754 57.404 1.00 0.00 WT4 O ATOM 51632 H1 TIP3 8449 47.521 74.890 57.089 1.00 0.00 WT4 H ATOM 51633 H2 TIP3 8449 48.924 75.450 56.989 1.00 0.00 WT4 H ATOM 51634 OH2 TIP3 8455 66.689 26.668 31.455 1.00 0.00 WT4 O ATOM 51635 H1 TIP3 8455 67.212 25.895 31.667 1.00 0.00 WT4 H ATOM 51636 H2 TIP3 8455 67.262 27.408 31.657 1.00 0.00 WT4 H ATOM 51637 OH2 TIP3 8462 74.287 3.732 35.146 1.00 0.00 WT4 O ATOM 51638 H1 TIP3 8462 73.375 4.019 35.096 1.00 0.00 WT4 H ATOM 51639 H2 TIP3 8462 74.474 3.691 36.084 1.00 0.00 WT4 H ATOM 51640 OH2 TIP3 8463 85.394 95.072 35.006 1.00 0.00 WT4 O ATOM 51641 H1 TIP3 8463 84.915 95.297 34.209 1.00 0.00 WT4 H ATOM 51642 H2 TIP3 8463 86.231 94.727 34.694 1.00 0.00 WT4 H ATOM 51643 OH2 TIP3 8465 29.956 78.482 66.988 1.00 0.00 WT4 O ATOM 51644 H1 TIP3 8465 29.930 77.595 66.631 1.00 0.00 WT4 H ATOM 51645 H2 TIP3 8465 29.358 78.982 66.432 1.00 0.00 WT4 H ATOM 51646 OH2 TIP3 8466 85.441 13.819 -0.991 1.00 0.00 WT4 O ATOM 51647 H1 TIP3 8466 86.112 13.986 -0.330 1.00 0.00 WT4 H ATOM 51648 H2 TIP3 8466 84.628 14.131 -0.591 1.00 0.00 WT4 H ATOM 51649 OH2 TIP3 8468 85.756 94.134 13.973 1.00 0.00 WT4 O ATOM 51650 H1 TIP3 8468 84.870 94.466 13.830 1.00 0.00 WT4 H ATOM 51651 H2 TIP3 8468 85.942 93.602 13.199 1.00 0.00 WT4 H ATOM 51652 OH2 TIP3 8486 81.332 82.415 -8.736 1.00 0.00 WT4 O ATOM 51653 H1 TIP3 8486 82.261 82.389 -8.506 1.00 0.00 WT4 H ATOM 51654 H2 TIP3 8486 81.144 83.344 -8.870 1.00 0.00 WT4 H ATOM 51655 OH2 TIP3 8487 57.518 73.226 -8.586 1.00 0.00 WT4 O ATOM 51656 H1 TIP3 8487 57.065 72.594 -8.028 1.00 0.00 WT4 H ATOM 51657 H2 TIP3 8487 56.826 73.807 -8.902 1.00 0.00 WT4 H ATOM 51658 OH2 TIP3 8489 61.018 94.468 41.117 1.00 0.00 WT4 O ATOM 51659 H1 TIP3 8489 61.217 93.551 40.927 1.00 0.00 WT4 H ATOM 51660 H2 TIP3 8489 60.796 94.846 40.266 1.00 0.00 WT4 H ATOM 51661 OH2 TIP3 8490 81.567 37.619 41.405 1.00 0.00 WT4 O ATOM 51662 H1 TIP3 8490 81.852 38.403 40.936 1.00 0.00 WT4 H ATOM 51663 H2 TIP3 8490 82.356 37.081 41.474 1.00 0.00 WT4 H ATOM 51664 OH2 TIP3 8505 84.144 61.470 52.395 1.00 0.00 WT4 O ATOM 51665 H1 TIP3 8505 83.451 60.838 52.585 1.00 0.00 WT4 H ATOM 51666 H2 TIP3 8505 83.983 61.739 51.491 1.00 0.00 WT4 H ATOM 51667 OH2 TIP3 8506 62.947 75.239 49.847 1.00 0.00 WT4 O ATOM 51668 H1 TIP3 8506 62.601 75.088 48.968 1.00 0.00 WT4 H ATOM 51669 H2 TIP3 8506 63.533 75.989 49.748 1.00 0.00 WT4 H ATOM 51670 OH2 TIP3 8507 66.658 0.834 17.957 1.00 0.00 WT4 O ATOM 51671 H1 TIP3 8507 67.579 0.872 18.216 1.00 0.00 WT4 H ATOM 51672 H2 TIP3 8507 66.241 1.543 18.446 1.00 0.00 WT4 H ATOM 51673 OH2 TIP3 8508 40.675 10.770 65.120 1.00 0.00 WT4 O ATOM 51674 H1 TIP3 8508 40.405 11.363 64.418 1.00 0.00 WT4 H ATOM 51675 H2 TIP3 8508 41.510 10.410 64.822 1.00 0.00 WT4 H ATOM 51676 OH2 TIP3 8509 30.509 47.300 13.932 1.00 0.00 WT4 O ATOM 51677 H1 TIP3 8509 31.296 46.781 13.765 1.00 0.00 WT4 H ATOM 51678 H2 TIP3 8509 30.599 48.062 13.360 1.00 0.00 WT4 H ATOM 51679 OH2 TIP3 8513 63.645 29.547 -12.567 1.00 0.00 WT4 O ATOM 51680 H1 TIP3 8513 63.896 30.261 -11.981 1.00 0.00 WT4 H ATOM 51681 H2 TIP3 8513 62.719 29.398 -12.380 1.00 0.00 WT4 H ATOM 51682 OH2 TIP3 8515 77.078 30.002 55.330 1.00 0.00 WT4 O ATOM 51683 H1 TIP3 8515 77.744 29.666 54.730 1.00 0.00 WT4 H ATOM 51684 H2 TIP3 8515 77.284 29.591 56.170 1.00 0.00 WT4 H ATOM 51685 OH2 TIP3 8516 54.455 20.403 -15.304 1.00 0.00 WT4 O ATOM 51686 H1 TIP3 8516 54.941 19.994 -14.588 1.00 0.00 WT4 H ATOM 51687 H2 TIP3 8516 54.022 21.155 -14.901 1.00 0.00 WT4 H ATOM 51688 OH2 TIP3 8528 72.518 8.695 42.298 1.00 0.00 WT4 O ATOM 51689 H1 TIP3 8528 71.723 8.279 41.966 1.00 0.00 WT4 H ATOM 51690 H2 TIP3 8528 72.905 8.041 42.880 1.00 0.00 WT4 H ATOM 51691 OH2 TIP3 8529 31.678 70.567 49.939 1.00 0.00 WT4 O ATOM 51692 H1 TIP3 8529 32.395 70.560 50.573 1.00 0.00 WT4 H ATOM 51693 H2 TIP3 8529 32.086 70.842 49.118 1.00 0.00 WT4 H ATOM 51694 OH2 TIP3 8530 90.386 86.246 54.789 1.00 0.00 WT4 O ATOM 51695 H1 TIP3 8530 90.859 86.940 54.331 1.00 0.00 WT4 H ATOM 51696 H2 TIP3 8530 89.694 85.986 54.181 1.00 0.00 WT4 H ATOM 51697 OH2 TIP3 8531 40.223 82.159 -3.323 1.00 0.00 WT4 O ATOM 51698 H1 TIP3 8531 40.840 82.413 -2.637 1.00 0.00 WT4 H ATOM 51699 H2 TIP3 8531 39.471 82.739 -3.197 1.00 0.00 WT4 H ATOM 51700 OH2 TIP3 8532 86.464 7.474 -17.367 1.00 0.00 WT4 O ATOM 51701 H1 TIP3 8532 87.375 7.412 -17.653 1.00 0.00 WT4 H ATOM 51702 H2 TIP3 8532 86.483 8.093 -16.636 1.00 0.00 WT4 H ATOM 51703 OH2 TIP3 8534 52.278 62.182 -11.322 1.00 0.00 WT4 O ATOM 51704 H1 TIP3 8534 52.078 62.029 -10.399 1.00 0.00 WT4 H ATOM 51705 H2 TIP3 8534 51.422 62.226 -11.748 1.00 0.00 WT4 H ATOM 51706 OH2 TIP3 8535 55.719 68.358 -9.059 1.00 0.00 WT4 O ATOM 51707 H1 TIP3 8535 56.089 67.503 -9.281 1.00 0.00 WT4 H ATOM 51708 H2 TIP3 8535 55.144 68.184 -8.313 1.00 0.00 WT4 H ATOM 51709 OH2 TIP3 8536 44.784 53.491 48.635 1.00 0.00 WT4 O ATOM 51710 H1 TIP3 8536 45.470 54.155 48.707 1.00 0.00 WT4 H ATOM 51711 H2 TIP3 8536 44.646 53.389 47.694 1.00 0.00 WT4 H ATOM 51712 OH2 TIP3 8539 67.771 71.365 24.485 1.00 0.00 WT4 O ATOM 51713 H1 TIP3 8539 67.187 71.143 25.210 1.00 0.00 WT4 H ATOM 51714 H2 TIP3 8539 67.261 71.173 23.698 1.00 0.00 WT4 H ATOM 51715 OH2 TIP3 8543 25.738 11.437 -14.223 1.00 0.00 WT4 O ATOM 51716 H1 TIP3 8543 25.674 12.320 -14.586 1.00 0.00 WT4 H ATOM 51717 H2 TIP3 8543 24.971 11.355 -13.656 1.00 0.00 WT4 H ATOM 51718 OH2 TIP3 8548 77.119 77.610 20.862 1.00 0.00 WT4 O ATOM 51719 H1 TIP3 8548 76.488 78.044 21.437 1.00 0.00 WT4 H ATOM 51720 H2 TIP3 8548 77.465 76.889 21.387 1.00 0.00 WT4 H ATOM 51721 OH2 TIP3 8549 27.975 11.670 10.048 1.00 0.00 WT4 O ATOM 51722 H1 TIP3 8549 28.082 12.564 9.721 1.00 0.00 WT4 H ATOM 51723 H2 TIP3 8549 27.057 11.621 10.315 1.00 0.00 WT4 H ATOM 51724 OH2 TIP3 8550 25.928 44.138 49.902 1.00 0.00 WT4 O ATOM 51725 H1 TIP3 8550 26.211 43.234 49.766 1.00 0.00 WT4 H ATOM 51726 H2 TIP3 8550 26.382 44.637 49.223 1.00 0.00 WT4 H ATOM 51727 OH2 TIP3 8554 62.268 94.260 -7.695 1.00 0.00 WT4 O ATOM 51728 H1 TIP3 8554 61.532 94.872 -7.704 1.00 0.00 WT4 H ATOM 51729 H2 TIP3 8554 63.045 94.820 -7.696 1.00 0.00 WT4 H ATOM 51730 OH2 TIP3 8556 75.023 78.636 41.171 1.00 0.00 WT4 O ATOM 51731 H1 TIP3 8556 75.376 78.034 40.516 1.00 0.00 WT4 H ATOM 51732 H2 TIP3 8556 74.123 78.799 40.888 1.00 0.00 WT4 H ATOM 51733 OH2 TIP3 8558 58.900 73.043 60.897 1.00 0.00 WT4 O ATOM 51734 H1 TIP3 8558 58.982 73.207 61.836 1.00 0.00 WT4 H ATOM 51735 H2 TIP3 8558 59.300 72.183 60.768 1.00 0.00 WT4 H ATOM 51736 OH2 TIP3 8571 74.337 4.213 2.665 1.00 0.00 WT4 O ATOM 51737 H1 TIP3 8571 74.628 5.031 3.069 1.00 0.00 WT4 H ATOM 51738 H2 TIP3 8571 75.113 3.879 2.215 1.00 0.00 WT4 H ATOM 51739 OH2 TIP3 8573 72.066 90.932 45.940 1.00 0.00 WT4 O ATOM 51740 H1 TIP3 8573 72.154 90.702 45.015 1.00 0.00 WT4 H ATOM 51741 H2 TIP3 8573 71.158 90.717 46.155 1.00 0.00 WT4 H ATOM 51742 OH2 TIP3 8574 34.266 66.240 3.604 1.00 0.00 WT4 O ATOM 51743 H1 TIP3 8574 34.267 66.490 4.528 1.00 0.00 WT4 H ATOM 51744 H2 TIP3 8574 34.001 65.320 3.605 1.00 0.00 WT4 H ATOM 51745 OH2 TIP3 8590 73.862 94.102 41.568 1.00 0.00 WT4 O ATOM 51746 H1 TIP3 8590 74.232 94.984 41.522 1.00 0.00 WT4 H ATOM 51747 H2 TIP3 8590 74.135 93.685 40.751 1.00 0.00 WT4 H ATOM 51748 OH2 TIP3 8594 64.629 96.224 34.618 1.00 0.00 WT4 O ATOM 51749 H1 TIP3 8594 64.454 97.145 34.429 1.00 0.00 WT4 H ATOM 51750 H2 TIP3 8594 63.790 95.786 34.472 1.00 0.00 WT4 H ATOM 51751 OH2 TIP3 8632 60.865 46.805 60.978 1.00 0.00 WT4 O ATOM 51752 H1 TIP3 8632 60.049 47.111 60.582 1.00 0.00 WT4 H ATOM 51753 H2 TIP3 8632 60.613 46.518 61.855 1.00 0.00 WT4 H ATOM 51754 OH2 TIP3 8638 21.152 82.353 -18.898 1.00 0.00 WT4 O ATOM 51755 H1 TIP3 8638 20.241 82.207 -19.154 1.00 0.00 WT4 H ATOM 51756 H2 TIP3 8638 21.622 81.594 -19.243 1.00 0.00 WT4 H ATOM 51757 OH2 TIP3 8640 89.161 34.940 34.906 1.00 0.00 WT4 O ATOM 51758 H1 TIP3 8640 88.998 35.599 34.231 1.00 0.00 WT4 H ATOM 51759 H2 TIP3 8640 88.597 35.198 35.635 1.00 0.00 WT4 H ATOM 51760 OH2 TIP3 8760 76.652 65.538 -16.585 1.00 0.00 WT4 O ATOM 51761 H1 TIP3 8760 76.890 66.096 -17.325 1.00 0.00 WT4 H ATOM 51762 H2 TIP3 8760 76.397 66.150 -15.895 1.00 0.00 WT4 H ATOM 51763 OH2 TIP3 8777 64.534 1.182 53.654 1.00 0.00 WT4 O ATOM 51764 H1 TIP3 8777 65.261 0.568 53.752 1.00 0.00 WT4 H ATOM 51765 H2 TIP3 8777 63.877 0.878 54.280 1.00 0.00 WT4 H ATOM 51766 OH2 TIP3 8780 56.387 93.666 -0.780 1.00 0.00 WT4 O ATOM 51767 H1 TIP3 8780 55.988 92.797 -0.806 1.00 0.00 WT4 H ATOM 51768 H2 TIP3 8780 56.733 93.745 0.109 1.00 0.00 WT4 H ATOM 51769 OH2 TIP3 8790 88.222 8.354 -4.746 1.00 0.00 WT4 O ATOM 51770 H1 TIP3 8790 87.711 8.407 -3.939 1.00 0.00 WT4 H ATOM 51771 H2 TIP3 8790 88.411 7.422 -4.851 1.00 0.00 WT4 H ATOM 51772 OH2 TIP3 8801 27.305 92.839 41.480 1.00 0.00 WT4 O ATOM 51773 H1 TIP3 8801 28.159 93.156 41.186 1.00 0.00 WT4 H ATOM 51774 H2 TIP3 8801 26.718 93.017 40.746 1.00 0.00 WT4 H ATOM 51775 OH2 TIP3 8802 83.927 84.871 -18.374 1.00 0.00 WT4 O ATOM 51776 H1 TIP3 8802 84.287 85.201 -19.198 1.00 0.00 WT4 H ATOM 51777 H2 TIP3 8802 84.516 85.211 -17.701 1.00 0.00 WT4 H ATOM 51778 OH2 TIP3 8803 20.568 86.614 31.602 1.00 0.00 WT4 O ATOM 51779 H1 TIP3 8803 21.372 86.931 32.013 1.00 0.00 WT4 H ATOM 51780 H2 TIP3 8803 20.396 85.774 32.028 1.00 0.00 WT4 H ATOM 51781 OH2 TIP3 8807 53.403 3.928 27.177 1.00 0.00 WT4 O ATOM 51782 H1 TIP3 8807 53.351 4.846 27.443 1.00 0.00 WT4 H ATOM 51783 H2 TIP3 8807 52.565 3.754 26.749 1.00 0.00 WT4 H ATOM 51784 OH2 TIP3 8820 43.598 26.600 45.668 1.00 0.00 WT4 O ATOM 51785 H1 TIP3 8820 43.073 26.795 44.892 1.00 0.00 WT4 H ATOM 51786 H2 TIP3 8820 44.019 27.431 45.888 1.00 0.00 WT4 H ATOM 51787 OH2 TIP3 8822 82.500 9.044 2.848 1.00 0.00 WT4 O ATOM 51788 H1 TIP3 8822 82.531 8.970 1.895 1.00 0.00 WT4 H ATOM 51789 H2 TIP3 8822 82.030 8.261 3.134 1.00 0.00 WT4 H ATOM 51790 OH2 TIP3 8823 25.703 46.634 0.357 1.00 0.00 WT4 O ATOM 51791 H1 TIP3 8823 25.533 46.973 -0.522 1.00 0.00 WT4 H ATOM 51792 H2 TIP3 8823 26.645 46.749 0.480 1.00 0.00 WT4 H ATOM 51793 OH2 TIP3 8829 21.022 59.565 41.057 1.00 0.00 WT4 O ATOM 51794 H1 TIP3 8829 21.402 59.224 40.247 1.00 0.00 WT4 H ATOM 51795 H2 TIP3 8829 21.427 60.425 41.168 1.00 0.00 WT4 H ATOM 51796 OH2 TIP3 8830 23.205 52.666 -1.116 1.00 0.00 WT4 O ATOM 51797 H1 TIP3 8830 23.258 52.931 -2.034 1.00 0.00 WT4 H ATOM 51798 H2 TIP3 8830 23.725 53.318 -0.647 1.00 0.00 WT4 H ATOM 51799 OH2 TIP3 8842 61.930 38.718 1.500 1.00 0.00 WT4 O ATOM 51800 H1 TIP3 8842 62.087 37.868 1.911 1.00 0.00 WT4 H ATOM 51801 H2 TIP3 8842 60.986 38.853 1.580 1.00 0.00 WT4 H ATOM 51802 OH2 TIP3 8843 43.015 61.428 48.140 1.00 0.00 WT4 O ATOM 51803 H1 TIP3 8843 43.551 62.221 48.145 1.00 0.00 WT4 H ATOM 51804 H2 TIP3 8843 43.204 61.015 47.298 1.00 0.00 WT4 H ATOM 51805 OH2 TIP3 8844 67.820 92.813 -16.321 1.00 0.00 WT4 O ATOM 51806 H1 TIP3 8844 67.439 93.508 -15.785 1.00 0.00 WT4 H ATOM 51807 H2 TIP3 8844 68.544 92.473 -15.796 1.00 0.00 WT4 H ATOM 51808 OH2 TIP3 8845 77.152 41.781 39.273 1.00 0.00 WT4 O ATOM 51809 H1 TIP3 8845 77.755 42.359 38.805 1.00 0.00 WT4 H ATOM 51810 H2 TIP3 8845 77.177 40.959 38.782 1.00 0.00 WT4 H ATOM 51811 OH2 TIP3 8846 51.520 30.622 48.668 1.00 0.00 WT4 O ATOM 51812 H1 TIP3 8846 51.078 29.977 48.116 1.00 0.00 WT4 H ATOM 51813 H2 TIP3 8846 52.432 30.600 48.380 1.00 0.00 WT4 H ATOM 51814 OH2 TIP3 8847 85.493 51.070 -13.614 1.00 0.00 WT4 O ATOM 51815 H1 TIP3 8847 85.806 50.165 -13.600 1.00 0.00 WT4 H ATOM 51816 H2 TIP3 8847 86.225 51.583 -13.274 1.00 0.00 WT4 H ATOM 51817 OH2 TIP3 8849 57.011 62.556 36.814 1.00 0.00 WT4 O ATOM 51818 H1 TIP3 8849 56.314 62.031 37.209 1.00 0.00 WT4 H ATOM 51819 H2 TIP3 8849 56.739 62.668 35.903 1.00 0.00 WT4 H ATOM 51820 OH2 TIP3 8863 71.278 73.719 -19.661 1.00 0.00 WT4 O ATOM 51821 H1 TIP3 8863 71.610 73.223 -18.913 1.00 0.00 WT4 H ATOM 51822 H2 TIP3 8863 70.963 73.051 -20.270 1.00 0.00 WT4 H ATOM 51823 OH2 TIP3 8865 69.400 84.395 27.140 1.00 0.00 WT4 O ATOM 51824 H1 TIP3 8865 70.350 84.380 27.261 1.00 0.00 WT4 H ATOM 51825 H2 TIP3 8865 69.245 83.825 26.387 1.00 0.00 WT4 H ATOM 51826 OH2 TIP3 8866 40.604 73.936 57.259 1.00 0.00 WT4 O ATOM 51827 H1 TIP3 8866 39.982 74.643 57.092 1.00 0.00 WT4 H ATOM 51828 H2 TIP3 8866 41.426 74.244 56.877 1.00 0.00 WT4 H ATOM 51829 OH2 TIP3 8867 34.729 53.551 13.529 1.00 0.00 WT4 O ATOM 51830 H1 TIP3 8867 35.065 52.678 13.324 1.00 0.00 WT4 H ATOM 51831 H2 TIP3 8867 35.474 54.010 13.917 1.00 0.00 WT4 H ATOM 51832 OH2 TIP3 8869 38.386 78.949 20.054 1.00 0.00 WT4 O ATOM 51833 H1 TIP3 8869 39.175 79.118 19.540 1.00 0.00 WT4 H ATOM 51834 H2 TIP3 8869 37.903 78.297 19.546 1.00 0.00 WT4 H ATOM 51835 OH2 TIP3 8883 61.228 76.991 23.589 1.00 0.00 WT4 O ATOM 51836 H1 TIP3 8883 61.049 77.614 22.885 1.00 0.00 WT4 H ATOM 51837 H2 TIP3 8883 62.067 77.274 23.953 1.00 0.00 WT4 H ATOM 51838 OH2 TIP3 8884 48.919 94.451 -17.257 1.00 0.00 WT4 O ATOM 51839 H1 TIP3 8884 48.793 94.866 -18.110 1.00 0.00 WT4 H ATOM 51840 H2 TIP3 8884 49.846 94.216 -17.238 1.00 0.00 WT4 H ATOM 51841 OH2 TIP3 8885 66.988 47.039 34.617 1.00 0.00 WT4 O ATOM 51842 H1 TIP3 8885 67.298 47.944 34.585 1.00 0.00 WT4 H ATOM 51843 H2 TIP3 8885 66.804 46.816 33.704 1.00 0.00 WT4 H ATOM 51844 OH2 TIP3 8886 30.312 83.364 10.119 1.00 0.00 WT4 O ATOM 51845 H1 TIP3 8886 30.094 82.432 10.123 1.00 0.00 WT4 H ATOM 51846 H2 TIP3 8886 29.469 83.806 10.014 1.00 0.00 WT4 H ATOM 51847 OH2 TIP3 8887 25.293 74.227 45.876 1.00 0.00 WT4 O ATOM 51848 H1 TIP3 8887 26.020 73.734 46.256 1.00 0.00 WT4 H ATOM 51849 H2 TIP3 8887 25.175 73.847 45.005 1.00 0.00 WT4 H ATOM 51850 OH2 TIP3 8901 25.949 51.682 38.334 1.00 0.00 WT4 O ATOM 51851 H1 TIP3 8901 25.497 52.157 37.637 1.00 0.00 WT4 H ATOM 51852 H2 TIP3 8901 26.132 52.347 38.998 1.00 0.00 WT4 H ATOM 51853 OH2 TIP3 8903 64.179 38.916 26.411 1.00 0.00 WT4 O ATOM 51854 H1 TIP3 8903 63.313 39.019 26.018 1.00 0.00 WT4 H ATOM 51855 H2 TIP3 8903 64.700 39.625 26.034 1.00 0.00 WT4 H ATOM 51856 OH2 TIP3 8905 27.702 40.625 55.318 1.00 0.00 WT4 O ATOM 51857 H1 TIP3 8905 26.857 40.992 55.581 1.00 0.00 WT4 H ATOM 51858 H2 TIP3 8905 28.197 41.375 54.989 1.00 0.00 WT4 H ATOM 51859 OH2 TIP3 8907 62.988 53.768 -7.081 1.00 0.00 WT4 O ATOM 51860 H1 TIP3 8907 62.528 54.601 -7.186 1.00 0.00 WT4 H ATOM 51861 H2 TIP3 8907 63.916 54.002 -7.107 1.00 0.00 WT4 H ATOM 51862 OH2 TIP3 8911 74.123 68.710 44.761 1.00 0.00 WT4 O ATOM 51863 H1 TIP3 8911 73.809 67.928 45.216 1.00 0.00 WT4 H ATOM 51864 H2 TIP3 8911 75.077 68.635 44.786 1.00 0.00 WT4 H ATOM 51865 OH2 TIP3 8913 24.777 88.361 44.069 1.00 0.00 WT4 O ATOM 51866 H1 TIP3 8913 25.323 87.801 43.518 1.00 0.00 WT4 H ATOM 51867 H2 TIP3 8913 24.870 89.236 43.691 1.00 0.00 WT4 H ATOM 51868 OH2 TIP3 8914 77.800 95.498 44.599 1.00 0.00 WT4 O ATOM 51869 H1 TIP3 8914 78.181 95.207 43.770 1.00 0.00 WT4 H ATOM 51870 H2 TIP3 8914 77.094 94.875 44.770 1.00 0.00 WT4 H ATOM 51871 OH2 TIP3 8925 57.171 81.892 39.607 1.00 0.00 WT4 O ATOM 51872 H1 TIP3 8925 56.852 81.351 38.885 1.00 0.00 WT4 H ATOM 51873 H2 TIP3 8925 58.039 82.181 39.327 1.00 0.00 WT4 H ATOM 51874 OH2 TIP3 8926 29.827 80.386 46.710 1.00 0.00 WT4 O ATOM 51875 H1 TIP3 8926 29.380 79.652 47.133 1.00 0.00 WT4 H ATOM 51876 H2 TIP3 8926 30.646 80.011 46.384 1.00 0.00 WT4 H ATOM 51877 OH2 TIP3 8927 88.172 86.275 42.360 1.00 0.00 WT4 O ATOM 51878 H1 TIP3 8927 87.216 86.221 42.370 1.00 0.00 WT4 H ATOM 51879 H2 TIP3 8927 88.378 86.981 42.973 1.00 0.00 WT4 H ATOM 51880 OH2 TIP3 8929 55.837 15.131 63.973 1.00 0.00 WT4 O ATOM 51881 H1 TIP3 8929 55.251 15.571 64.590 1.00 0.00 WT4 H ATOM 51882 H2 TIP3 8929 55.323 14.398 63.636 1.00 0.00 WT4 H ATOM 51883 OH2 TIP3 8930 43.125 76.695 1.503 1.00 0.00 WT4 O ATOM 51884 H1 TIP3 8930 42.954 76.707 2.445 1.00 0.00 WT4 H ATOM 51885 H2 TIP3 8930 43.740 75.972 1.381 1.00 0.00 WT4 H ATOM 51886 OH2 TIP3 8931 82.388 67.762 -3.885 1.00 0.00 WT4 O ATOM 51887 H1 TIP3 8931 81.729 68.452 -3.950 1.00 0.00 WT4 H ATOM 51888 H2 TIP3 8931 82.184 67.311 -3.065 1.00 0.00 WT4 H ATOM 51889 OH2 TIP3 8932 85.157 45.846 5.950 1.00 0.00 WT4 O ATOM 51890 H1 TIP3 8932 84.618 45.089 6.180 1.00 0.00 WT4 H ATOM 51891 H2 TIP3 8932 85.939 45.471 5.545 1.00 0.00 WT4 H ATOM 51892 OH2 TIP3 8935 27.273 19.806 -19.228 1.00 0.00 WT4 O ATOM 51893 H1 TIP3 8935 27.543 19.686 -20.139 1.00 0.00 WT4 H ATOM 51894 H2 TIP3 8935 27.340 18.934 -18.841 1.00 0.00 WT4 H ATOM 51895 OH2 TIP3 8944 42.410 69.626 33.006 1.00 0.00 WT4 O ATOM 51896 H1 TIP3 8944 42.722 68.728 33.113 1.00 0.00 WT4 H ATOM 51897 H2 TIP3 8944 43.022 70.155 33.517 1.00 0.00 WT4 H ATOM 51898 OH2 TIP3 8949 60.721 43.018 -17.138 1.00 0.00 WT4 O ATOM 51899 H1 TIP3 8949 59.978 43.407 -16.677 1.00 0.00 WT4 H ATOM 51900 H2 TIP3 8949 60.841 42.164 -16.722 1.00 0.00 WT4 H ATOM 51901 OH2 TIP3 8951 22.487 70.901 19.614 1.00 0.00 WT4 O ATOM 51902 H1 TIP3 8951 22.062 71.499 19.000 1.00 0.00 WT4 H ATOM 51903 H2 TIP3 8951 21.967 70.970 20.415 1.00 0.00 WT4 H ATOM 51904 OH2 TIP3 8953 72.915 54.808 16.291 1.00 0.00 WT4 O ATOM 51905 H1 TIP3 8953 71.963 54.911 16.287 1.00 0.00 WT4 H ATOM 51906 H2 TIP3 8953 73.100 54.257 15.531 1.00 0.00 WT4 H ATOM 51907 OH2 TIP3 8954 63.571 77.829 34.267 1.00 0.00 WT4 O ATOM 51908 H1 TIP3 8954 63.396 78.347 33.481 1.00 0.00 WT4 H ATOM 51909 H2 TIP3 8954 63.060 77.029 34.146 1.00 0.00 WT4 H ATOM 51910 OH2 TIP3 8969 22.370 15.919 59.670 1.00 0.00 WT4 O ATOM 51911 H1 TIP3 8969 23.234 15.595 59.417 1.00 0.00 WT4 H ATOM 51912 H2 TIP3 8969 22.547 16.739 60.132 1.00 0.00 WT4 H ATOM 51913 OH2 TIP3 8970 57.461 91.868 -18.401 1.00 0.00 WT4 O ATOM 51914 H1 TIP3 8970 56.655 91.519 -18.783 1.00 0.00 WT4 H ATOM 51915 H2 TIP3 8970 57.620 91.320 -17.633 1.00 0.00 WT4 H ATOM 51916 OH2 TIP3 8972 24.246 18.335 59.923 1.00 0.00 WT4 O ATOM 51917 H1 TIP3 8972 24.372 19.243 59.646 1.00 0.00 WT4 H ATOM 51918 H2 TIP3 8972 24.741 17.820 59.287 1.00 0.00 WT4 H ATOM 51919 OH2 TIP3 8973 48.548 56.474 65.644 1.00 0.00 WT4 O ATOM 51920 H1 TIP3 8973 48.740 56.827 66.513 1.00 0.00 WT4 H ATOM 51921 H2 TIP3 8973 47.852 57.038 65.305 1.00 0.00 WT4 H ATOM 51922 OH2 TIP3 8974 31.862 82.728 59.425 1.00 0.00 WT4 O ATOM 51923 H1 TIP3 8974 31.068 82.263 59.161 1.00 0.00 WT4 H ATOM 51924 H2 TIP3 8974 31.755 83.608 59.064 1.00 0.00 WT4 H ATOM 51925 OH2 TIP3 8975 67.537 24.717 13.128 1.00 0.00 WT4 O ATOM 51926 H1 TIP3 8975 67.933 25.147 13.886 1.00 0.00 WT4 H ATOM 51927 H2 TIP3 8975 66.665 24.458 13.427 1.00 0.00 WT4 H ATOM 51928 OH2 TIP3 8976 42.470 11.182 4.842 1.00 0.00 WT4 O ATOM 51929 H1 TIP3 8976 41.933 11.227 5.633 1.00 0.00 WT4 H ATOM 51930 H2 TIP3 8976 43.372 11.231 5.160 1.00 0.00 WT4 H ATOM 51931 OH2 TIP3 8977 36.133 86.291 2.418 1.00 0.00 WT4 O ATOM 51932 H1 TIP3 8977 36.316 85.935 3.287 1.00 0.00 WT4 H ATOM 51933 H2 TIP3 8977 36.963 86.215 1.947 1.00 0.00 WT4 H ATOM 51934 OH2 TIP3 8978 35.143 38.811 -14.203 1.00 0.00 WT4 O ATOM 51935 H1 TIP3 8978 35.565 37.988 -14.449 1.00 0.00 WT4 H ATOM 51936 H2 TIP3 8978 35.788 39.485 -14.417 1.00 0.00 WT4 H ATOM 51937 OH2 TIP3 8988 41.901 51.413 2.997 1.00 0.00 WT4 O ATOM 51938 H1 TIP3 8988 41.515 52.093 3.549 1.00 0.00 WT4 H ATOM 51939 H2 TIP3 8988 42.379 50.851 3.607 1.00 0.00 WT4 H ATOM 51940 OH2 TIP3 8992 29.207 6.577 43.473 1.00 0.00 WT4 O ATOM 51941 H1 TIP3 8992 28.555 7.058 42.964 1.00 0.00 WT4 H ATOM 51942 H2 TIP3 8992 29.815 7.250 43.782 1.00 0.00 WT4 H ATOM 51943 OH2 TIP3 8995 45.596 77.138 59.635 1.00 0.00 WT4 O ATOM 51944 H1 TIP3 8995 45.915 77.182 60.536 1.00 0.00 WT4 H ATOM 51945 H2 TIP3 8995 45.789 76.243 59.356 1.00 0.00 WT4 H ATOM 51946 OH2 TIP3 8996 57.679 80.974 29.549 1.00 0.00 WT4 O ATOM 51947 H1 TIP3 8996 57.029 81.106 30.239 1.00 0.00 WT4 H ATOM 51948 H2 TIP3 8996 57.430 81.594 28.863 1.00 0.00 WT4 H ATOM 51949 OH2 TIP3 8997 42.916 83.755 -10.053 1.00 0.00 WT4 O ATOM 51950 H1 TIP3 8997 42.210 84.376 -9.876 1.00 0.00 WT4 H ATOM 51951 H2 TIP3 8997 43.719 84.251 -9.895 1.00 0.00 WT4 H ATOM 51952 OH2 TIP3 9008 65.332 77.003 20.750 1.00 0.00 WT4 O ATOM 51953 H1 TIP3 9008 66.232 76.695 20.651 1.00 0.00 WT4 H ATOM 51954 H2 TIP3 9008 64.831 76.217 20.968 1.00 0.00 WT4 H ATOM 51955 OH2 TIP3 9009 28.101 51.170 25.816 1.00 0.00 WT4 O ATOM 51956 H1 TIP3 9009 27.435 51.845 25.684 1.00 0.00 WT4 H ATOM 51957 H2 TIP3 9009 28.561 51.120 24.978 1.00 0.00 WT4 H ATOM 51958 OH2 TIP3 9014 27.336 66.471 55.160 1.00 0.00 WT4 O ATOM 51959 H1 TIP3 9014 27.345 66.338 54.212 1.00 0.00 WT4 H ATOM 51960 H2 TIP3 9014 28.232 66.732 55.374 1.00 0.00 WT4 H ATOM 51961 OH2 TIP3 9015 23.249 58.076 54.042 1.00 0.00 WT4 O ATOM 51962 H1 TIP3 9015 22.753 58.765 54.484 1.00 0.00 WT4 H ATOM 51963 H2 TIP3 9015 23.921 58.543 53.547 1.00 0.00 WT4 H ATOM 51964 OH2 TIP3 9019 45.587 5.935 60.818 1.00 0.00 WT4 O ATOM 51965 H1 TIP3 9019 45.848 6.295 61.666 1.00 0.00 WT4 H ATOM 51966 H2 TIP3 9019 45.189 6.674 60.357 1.00 0.00 WT4 H ATOM 51967 OH2 TIP3 9024 43.212 24.416 -16.589 1.00 0.00 WT4 O ATOM 51968 H1 TIP3 9024 42.782 25.167 -16.997 1.00 0.00 WT4 H ATOM 51969 H2 TIP3 9024 42.669 23.667 -16.834 1.00 0.00 WT4 H ATOM 51970 OH2 TIP3 9039 49.407 14.686 1.851 1.00 0.00 WT4 O ATOM 51971 H1 TIP3 9039 50.233 15.160 1.940 1.00 0.00 WT4 H ATOM 51972 H2 TIP3 9039 48.892 15.213 1.240 1.00 0.00 WT4 H ATOM 51973 OH2 TIP3 9047 69.181 88.695 10.582 1.00 0.00 WT4 O ATOM 51974 H1 TIP3 9047 68.251 88.889 10.469 1.00 0.00 WT4 H ATOM 51975 H2 TIP3 9047 69.502 89.385 11.162 1.00 0.00 WT4 H ATOM 51976 OH2 TIP3 9054 27.327 74.131 19.557 1.00 0.00 WT4 O ATOM 51977 H1 TIP3 9054 27.626 73.240 19.378 1.00 0.00 WT4 H ATOM 51978 H2 TIP3 9054 27.819 74.677 18.943 1.00 0.00 WT4 H ATOM 51979 OH2 TIP3 9055 24.100 44.704 57.606 1.00 0.00 WT4 O ATOM 51980 H1 TIP3 9055 23.342 45.270 57.752 1.00 0.00 WT4 H ATOM 51981 H2 TIP3 9055 23.850 43.864 57.990 1.00 0.00 WT4 H ATOM 51982 OH2 TIP3 9060 62.700 88.803 -3.069 1.00 0.00 WT4 O ATOM 51983 H1 TIP3 9060 61.908 88.838 -2.533 1.00 0.00 WT4 H ATOM 51984 H2 TIP3 9060 63.408 88.655 -2.442 1.00 0.00 WT4 H ATOM 51985 OH2 TIP3 9072 37.598 13.690 11.789 1.00 0.00 WT4 O ATOM 51986 H1 TIP3 9072 37.686 12.746 11.653 1.00 0.00 WT4 H ATOM 51987 H2 TIP3 9072 38.447 13.962 12.139 1.00 0.00 WT4 H ATOM 51988 OH2 TIP3 9082 51.631 14.610 49.448 1.00 0.00 WT4 O ATOM 51989 H1 TIP3 9082 52.098 13.797 49.638 1.00 0.00 WT4 H ATOM 51990 H2 TIP3 9082 51.145 14.426 48.644 1.00 0.00 WT4 H ATOM 51991 OH2 TIP3 9094 33.920 93.579 37.846 1.00 0.00 WT4 O ATOM 51992 H1 TIP3 9094 33.779 93.099 38.662 1.00 0.00 WT4 H ATOM 51993 H2 TIP3 9094 33.646 92.970 37.160 1.00 0.00 WT4 H ATOM 51994 OH2 TIP3 9096 71.847 62.003 -15.647 1.00 0.00 WT4 O ATOM 51995 H1 TIP3 9096 71.717 61.482 -16.440 1.00 0.00 WT4 H ATOM 51996 H2 TIP3 9096 70.983 62.367 -15.456 1.00 0.00 WT4 H ATOM 51997 OH2 TIP3 9117 72.274 15.424 42.769 1.00 0.00 WT4 O ATOM 51998 H1 TIP3 9117 72.480 14.573 43.157 1.00 0.00 WT4 H ATOM 51999 H2 TIP3 9117 71.321 15.491 42.829 1.00 0.00 WT4 H ATOM 52000 OH2 TIP3 9201 51.068 24.754 3.598 1.00 0.00 WT4 O ATOM 52001 H1 TIP3 9201 52.023 24.813 3.609 1.00 0.00 WT4 H ATOM 52002 H2 TIP3 9201 50.842 24.369 4.445 1.00 0.00 WT4 H ATOM 52003 OH2 TIP3 9226 58.041 87.735 10.670 1.00 0.00 WT4 O ATOM 52004 H1 TIP3 9226 57.461 88.295 10.155 1.00 0.00 WT4 H ATOM 52005 H2 TIP3 9226 58.663 88.341 11.073 1.00 0.00 WT4 H ATOM 52006 OH2 TIP3 9241 48.246 84.132 -15.103 1.00 0.00 WT4 O ATOM 52007 H1 TIP3 9241 48.851 84.323 -14.386 1.00 0.00 WT4 H ATOM 52008 H2 TIP3 9241 47.412 84.509 -14.821 1.00 0.00 WT4 H ATOM 52009 OH2 TIP3 9243 79.716 95.548 33.645 1.00 0.00 WT4 O ATOM 52010 H1 TIP3 9243 78.943 95.006 33.485 1.00 0.00 WT4 H ATOM 52011 H2 TIP3 9243 80.429 95.086 33.204 1.00 0.00 WT4 H ATOM 52012 OH2 TIP3 9246 76.240 68.698 -20.068 1.00 0.00 WT4 O ATOM 52013 H1 TIP3 9246 75.554 69.351 -20.210 1.00 0.00 WT4 H ATOM 52014 H2 TIP3 9246 76.667 68.970 -19.256 1.00 0.00 WT4 H ATOM 52015 OH2 TIP3 9250 24.659 40.672 53.341 1.00 0.00 WT4 O ATOM 52016 H1 TIP3 9250 24.077 41.431 53.303 1.00 0.00 WT4 H ATOM 52017 H2 TIP3 9250 24.536 40.320 54.222 1.00 0.00 WT4 H ATOM 52018 OH2 TIP3 9261 30.385 35.869 63.611 1.00 0.00 WT4 O ATOM 52019 H1 TIP3 9261 30.325 35.216 62.914 1.00 0.00 WT4 H ATOM 52020 H2 TIP3 9261 29.939 36.639 63.258 1.00 0.00 WT4 H ATOM 52021 OH2 TIP3 2 32.338 5.118 -2.815 1.00 0.00 WT5 O ATOM 52022 H1 TIP3 2 33.295 5.098 -2.839 1.00 0.00 WT5 H ATOM 52023 H2 TIP3 2 32.110 6.006 -3.089 1.00 0.00 WT5 H ATOM 52024 OH2 TIP3 5 25.328 55.317 2.017 1.00 0.00 WT5 O ATOM 52025 H1 TIP3 5 26.135 54.804 1.970 1.00 0.00 WT5 H ATOM 52026 H2 TIP3 5 25.143 55.388 2.953 1.00 0.00 WT5 H ATOM 52027 OH2 TIP3 8 85.062 21.667 33.836 1.00 0.00 WT5 O ATOM 52028 H1 TIP3 8 85.692 22.117 34.399 1.00 0.00 WT5 H ATOM 52029 H2 TIP3 8 85.018 22.207 33.047 1.00 0.00 WT5 H ATOM 52030 OH2 TIP3 14 37.183 40.866 -12.093 1.00 0.00 WT5 O ATOM 52031 H1 TIP3 14 37.403 40.532 -12.962 1.00 0.00 WT5 H ATOM 52032 H2 TIP3 14 36.255 41.094 -12.151 1.00 0.00 WT5 H ATOM 52033 OH2 TIP3 15 67.351 51.371 9.761 1.00 0.00 WT5 O ATOM 52034 H1 TIP3 15 67.144 51.751 10.615 1.00 0.00 WT5 H ATOM 52035 H2 TIP3 15 66.737 50.643 9.667 1.00 0.00 WT5 H ATOM 52036 OH2 TIP3 19 22.751 29.434 27.693 1.00 0.00 WT5 O ATOM 52037 H1 TIP3 19 22.264 29.118 26.931 1.00 0.00 WT5 H ATOM 52038 H2 TIP3 19 23.627 29.062 27.588 1.00 0.00 WT5 H ATOM 52039 OH2 TIP3 40 70.833 92.285 42.773 1.00 0.00 WT5 O ATOM 52040 H1 TIP3 40 70.957 91.353 42.951 1.00 0.00 WT5 H ATOM 52041 H2 TIP3 40 71.243 92.423 41.919 1.00 0.00 WT5 H ATOM 52042 OH2 TIP3 42 81.386 51.206 34.909 1.00 0.00 WT5 O ATOM 52043 H1 TIP3 42 81.747 52.080 35.063 1.00 0.00 WT5 H ATOM 52044 H2 TIP3 42 80.636 51.354 34.333 1.00 0.00 WT5 H ATOM 52045 OH2 TIP3 44 64.783 15.919 9.723 1.00 0.00 WT5 O ATOM 52046 H1 TIP3 44 64.946 15.759 10.652 1.00 0.00 WT5 H ATOM 52047 H2 TIP3 44 64.653 15.048 9.349 1.00 0.00 WT5 H ATOM 52048 OH2 TIP3 48 88.378 58.905 -18.691 1.00 0.00 WT5 O ATOM 52049 H1 TIP3 48 87.800 58.787 -17.937 1.00 0.00 WT5 H ATOM 52050 H2 TIP3 48 87.790 58.915 -19.446 1.00 0.00 WT5 H ATOM 52051 OH2 TIP3 52 23.373 10.091 -16.605 1.00 0.00 WT5 O ATOM 52052 H1 TIP3 52 23.074 9.312 -16.137 1.00 0.00 WT5 H ATOM 52053 H2 TIP3 52 23.245 9.880 -17.530 1.00 0.00 WT5 H ATOM 52054 OH2 TIP3 53 26.623 85.882 43.399 1.00 0.00 WT5 O ATOM 52055 H1 TIP3 53 27.538 85.610 43.470 1.00 0.00 WT5 H ATOM 52056 H2 TIP3 53 26.507 86.091 42.472 1.00 0.00 WT5 H ATOM 52057 OH2 TIP3 55 37.528 52.148 11.508 1.00 0.00 WT5 O ATOM 52058 H1 TIP3 55 38.447 51.967 11.705 1.00 0.00 WT5 H ATOM 52059 H2 TIP3 55 37.431 53.088 11.662 1.00 0.00 WT5 H ATOM 52060 OH2 TIP3 61 59.054 84.886 47.598 1.00 0.00 WT5 O ATOM 52061 H1 TIP3 61 58.743 85.743 47.309 1.00 0.00 WT5 H ATOM 52062 H2 TIP3 61 59.333 84.448 46.794 1.00 0.00 WT5 H ATOM 52063 OH2 TIP3 65 62.153 9.734 -14.183 1.00 0.00 WT5 O ATOM 52064 H1 TIP3 65 62.954 9.905 -13.687 1.00 0.00 WT5 H ATOM 52065 H2 TIP3 65 62.196 8.801 -14.393 1.00 0.00 WT5 H ATOM 52066 OH2 TIP3 67 71.995 91.299 58.793 1.00 0.00 WT5 O ATOM 52067 H1 TIP3 67 71.306 90.716 58.475 1.00 0.00 WT5 H ATOM 52068 H2 TIP3 67 71.708 91.553 59.670 1.00 0.00 WT5 H ATOM 52069 OH2 TIP3 77 33.346 80.510 61.352 1.00 0.00 WT5 O ATOM 52070 H1 TIP3 77 32.524 80.041 61.210 1.00 0.00 WT5 H ATOM 52071 H2 TIP3 77 33.621 80.782 60.477 1.00 0.00 WT5 H ATOM 52072 OH2 TIP3 78 59.574 32.724 5.993 1.00 0.00 WT5 O ATOM 52073 H1 TIP3 78 58.935 33.126 6.581 1.00 0.00 WT5 H ATOM 52074 H2 TIP3 78 60.004 33.464 5.564 1.00 0.00 WT5 H ATOM 52075 OH2 TIP3 87 39.893 1.582 -19.624 1.00 0.00 WT5 O ATOM 52076 H1 TIP3 87 40.527 2.129 -19.160 1.00 0.00 WT5 H ATOM 52077 H2 TIP3 87 39.077 1.696 -19.137 1.00 0.00 WT5 H ATOM 52078 OH2 TIP3 89 70.365 91.289 7.713 1.00 0.00 WT5 O ATOM 52079 H1 TIP3 89 70.504 91.810 6.922 1.00 0.00 WT5 H ATOM 52080 H2 TIP3 89 69.413 91.245 7.807 1.00 0.00 WT5 H ATOM 52081 OH2 TIP3 94 68.108 0.332 41.174 1.00 0.00 WT5 O ATOM 52082 H1 TIP3 94 68.218 0.986 41.863 1.00 0.00 WT5 H ATOM 52083 H2 TIP3 94 68.999 0.133 40.886 1.00 0.00 WT5 H ATOM 52084 OH2 TIP3 95 48.938 80.126 23.302 1.00 0.00 WT5 O ATOM 52085 H1 TIP3 95 48.450 80.501 24.035 1.00 0.00 WT5 H ATOM 52086 H2 TIP3 95 48.677 79.205 23.285 1.00 0.00 WT5 H ATOM 52087 OH2 TIP3 103 64.844 50.029 61.783 1.00 0.00 WT5 O ATOM 52088 H1 TIP3 103 65.205 50.509 61.038 1.00 0.00 WT5 H ATOM 52089 H2 TIP3 103 64.241 49.396 61.393 1.00 0.00 WT5 H ATOM 52090 OH2 TIP3 113 78.086 21.625 60.080 1.00 0.00 WT5 O ATOM 52091 H1 TIP3 113 78.109 22.355 60.699 1.00 0.00 WT5 H ATOM 52092 H2 TIP3 113 78.747 21.845 59.424 1.00 0.00 WT5 H ATOM 52093 OH2 TIP3 115 84.326 69.790 -1.321 1.00 0.00 WT5 O ATOM 52094 H1 TIP3 115 85.203 69.479 -1.097 1.00 0.00 WT5 H ATOM 52095 H2 TIP3 115 83.742 69.092 -1.027 1.00 0.00 WT5 H ATOM 52096 OH2 TIP3 122 41.588 32.497 57.379 1.00 0.00 WT5 O ATOM 52097 H1 TIP3 122 40.803 32.358 57.909 1.00 0.00 WT5 H ATOM 52098 H2 TIP3 122 42.143 33.062 57.915 1.00 0.00 WT5 H ATOM 52099 OH2 TIP3 128 23.616 42.614 -11.867 1.00 0.00 WT5 O ATOM 52100 H1 TIP3 128 22.677 42.522 -12.024 1.00 0.00 WT5 H ATOM 52101 H2 TIP3 128 23.846 41.855 -11.331 1.00 0.00 WT5 H ATOM 52102 OH2 TIP3 135 28.787 90.270 57.272 1.00 0.00 WT5 O ATOM 52103 H1 TIP3 135 29.180 91.135 57.157 1.00 0.00 WT5 H ATOM 52104 H2 TIP3 135 27.898 90.450 57.578 1.00 0.00 WT5 H ATOM 52105 OH2 TIP3 137 45.598 42.151 -4.523 1.00 0.00 WT5 O ATOM 52106 H1 TIP3 137 46.142 42.815 -4.946 1.00 0.00 WT5 H ATOM 52107 H2 TIP3 137 44.848 42.637 -4.181 1.00 0.00 WT5 H ATOM 52108 OH2 TIP3 149 67.255 7.774 16.669 1.00 0.00 WT5 O ATOM 52109 H1 TIP3 149 67.361 8.629 16.251 1.00 0.00 WT5 H ATOM 52110 H2 TIP3 149 67.850 7.197 16.190 1.00 0.00 WT5 H ATOM 52111 OH2 TIP3 150 53.325 3.670 -0.095 1.00 0.00 WT5 O ATOM 52112 H1 TIP3 150 53.391 4.140 0.736 1.00 0.00 WT5 H ATOM 52113 H2 TIP3 150 53.435 4.347 -0.763 1.00 0.00 WT5 H ATOM 52114 OH2 TIP3 153 67.766 28.125 13.619 1.00 0.00 WT5 O ATOM 52115 H1 TIP3 153 67.321 28.867 13.209 1.00 0.00 WT5 H ATOM 52116 H2 TIP3 153 68.112 28.477 14.440 1.00 0.00 WT5 H ATOM 52117 OH2 TIP3 155 70.265 64.781 25.330 1.00 0.00 WT5 O ATOM 52118 H1 TIP3 155 70.689 64.244 24.661 1.00 0.00 WT5 H ATOM 52119 H2 TIP3 155 69.365 64.456 25.365 1.00 0.00 WT5 H ATOM 52120 OH2 TIP3 165 75.975 42.718 -16.312 1.00 0.00 WT5 O ATOM 52121 H1 TIP3 165 75.591 42.088 -15.703 1.00 0.00 WT5 H ATOM 52122 H2 TIP3 165 75.227 43.080 -16.786 1.00 0.00 WT5 H ATOM 52123 OH2 TIP3 167 22.496 76.307 57.619 1.00 0.00 WT5 O ATOM 52124 H1 TIP3 167 21.670 76.749 57.418 1.00 0.00 WT5 H ATOM 52125 H2 TIP3 167 23.165 76.847 57.199 1.00 0.00 WT5 H ATOM 52126 OH2 TIP3 174 67.509 46.350 -3.909 1.00 0.00 WT5 O ATOM 52127 H1 TIP3 174 67.982 47.145 -3.665 1.00 0.00 WT5 H ATOM 52128 H2 TIP3 174 66.664 46.429 -3.466 1.00 0.00 WT5 H ATOM 52129 OH2 TIP3 175 57.511 21.344 32.070 1.00 0.00 WT5 O ATOM 52130 H1 TIP3 175 58.186 21.701 31.493 1.00 0.00 WT5 H ATOM 52131 H2 TIP3 175 57.606 21.838 32.884 1.00 0.00 WT5 H ATOM 52132 OH2 TIP3 177 76.754 23.681 34.117 1.00 0.00 WT5 O ATOM 52133 H1 TIP3 177 76.465 22.768 34.124 1.00 0.00 WT5 H ATOM 52134 H2 TIP3 177 76.729 23.934 33.195 1.00 0.00 WT5 H ATOM 52135 OH2 TIP3 178 87.436 79.772 12.719 1.00 0.00 WT5 O ATOM 52136 H1 TIP3 178 87.262 79.485 13.616 1.00 0.00 WT5 H ATOM 52137 H2 TIP3 178 86.583 80.050 12.387 1.00 0.00 WT5 H ATOM 52138 OH2 TIP3 191 21.729 46.429 -14.916 1.00 0.00 WT5 O ATOM 52139 H1 TIP3 191 20.813 46.676 -14.786 1.00 0.00 WT5 H ATOM 52140 H2 TIP3 191 21.796 46.240 -15.852 1.00 0.00 WT5 H ATOM 52141 OH2 TIP3 194 37.570 91.262 23.449 1.00 0.00 WT5 O ATOM 52142 H1 TIP3 194 38.075 91.950 23.882 1.00 0.00 WT5 H ATOM 52143 H2 TIP3 194 37.370 90.636 24.145 1.00 0.00 WT5 H ATOM 52144 OH2 TIP3 195 44.916 21.089 55.882 1.00 0.00 WT5 O ATOM 52145 H1 TIP3 195 44.376 21.878 55.910 1.00 0.00 WT5 H ATOM 52146 H2 TIP3 195 45.748 21.380 55.508 1.00 0.00 WT5 H ATOM 52147 OH2 TIP3 196 34.558 48.960 -1.380 1.00 0.00 WT5 O ATOM 52148 H1 TIP3 196 34.383 48.050 -1.623 1.00 0.00 WT5 H ATOM 52149 H2 TIP3 196 34.639 48.942 -0.427 1.00 0.00 WT5 H ATOM 52150 OH2 TIP3 201 25.244 56.943 13.220 1.00 0.00 WT5 O ATOM 52151 H1 TIP3 201 24.857 56.106 12.965 1.00 0.00 WT5 H ATOM 52152 H2 TIP3 201 25.851 56.721 13.926 1.00 0.00 WT5 H ATOM 52153 OH2 TIP3 205 30.352 37.738 14.354 1.00 0.00 WT5 O ATOM 52154 H1 TIP3 205 29.875 37.279 13.662 1.00 0.00 WT5 H ATOM 52155 H2 TIP3 205 30.565 38.590 13.974 1.00 0.00 WT5 H ATOM 52156 OH2 TIP3 213 72.283 48.131 53.939 1.00 0.00 WT5 O ATOM 52157 H1 TIP3 213 72.533 47.285 53.567 1.00 0.00 WT5 H ATOM 52158 H2 TIP3 213 71.422 48.313 53.564 1.00 0.00 WT5 H ATOM 52159 OH2 TIP3 225 57.316 1.038 31.821 1.00 0.00 WT5 O ATOM 52160 H1 TIP3 225 56.882 0.211 31.608 1.00 0.00 WT5 H ATOM 52161 H2 TIP3 225 57.749 1.298 31.008 1.00 0.00 WT5 H ATOM 52162 OH2 TIP3 227 77.305 88.197 54.092 1.00 0.00 WT5 O ATOM 52163 H1 TIP3 227 77.081 87.522 54.732 1.00 0.00 WT5 H ATOM 52164 H2 TIP3 227 77.223 87.761 53.244 1.00 0.00 WT5 H ATOM 52165 OH2 TIP3 234 47.643 41.029 36.941 1.00 0.00 WT5 O ATOM 52166 H1 TIP3 234 47.913 40.193 36.561 1.00 0.00 WT5 H ATOM 52167 H2 TIP3 234 46.768 41.183 36.584 1.00 0.00 WT5 H ATOM 52168 OH2 TIP3 237 56.335 92.757 35.923 1.00 0.00 WT5 O ATOM 52169 H1 TIP3 237 55.396 92.939 35.896 1.00 0.00 WT5 H ATOM 52170 H2 TIP3 237 56.703 93.471 36.444 1.00 0.00 WT5 H ATOM 52171 OH2 TIP3 248 50.802 33.492 -11.874 1.00 0.00 WT5 O ATOM 52172 H1 TIP3 248 50.268 33.927 -11.209 1.00 0.00 WT5 H ATOM 52173 H2 TIP3 248 51.223 32.770 -11.407 1.00 0.00 WT5 H ATOM 52174 OH2 TIP3 250 63.095 70.151 2.788 1.00 0.00 WT5 O ATOM 52175 H1 TIP3 250 64.023 69.975 2.942 1.00 0.00 WT5 H ATOM 52176 H2 TIP3 250 62.891 70.887 3.365 1.00 0.00 WT5 H ATOM 52177 OH2 TIP3 261 88.189 92.333 60.856 1.00 0.00 WT5 O ATOM 52178 H1 TIP3 261 87.476 91.938 60.354 1.00 0.00 WT5 H ATOM 52179 H2 TIP3 261 88.965 91.831 60.607 1.00 0.00 WT5 H ATOM 52180 OH2 TIP3 267 35.131 62.344 13.254 1.00 0.00 WT5 O ATOM 52181 H1 TIP3 267 34.522 61.624 13.088 1.00 0.00 WT5 H ATOM 52182 H2 TIP3 267 35.948 61.915 13.508 1.00 0.00 WT5 H ATOM 52183 OH2 TIP3 268 51.150 4.322 11.216 1.00 0.00 WT5 O ATOM 52184 H1 TIP3 268 50.286 4.619 11.502 1.00 0.00 WT5 H ATOM 52185 H2 TIP3 268 51.684 5.117 11.201 1.00 0.00 WT5 H ATOM 52186 OH2 TIP3 283 81.719 71.630 -8.350 1.00 0.00 WT5 O ATOM 52187 H1 TIP3 283 81.449 72.438 -7.914 1.00 0.00 WT5 H ATOM 52188 H2 TIP3 283 82.239 71.923 -9.099 1.00 0.00 WT5 H ATOM 52189 OH2 TIP3 292 51.819 56.708 55.374 1.00 0.00 WT5 O ATOM 52190 H1 TIP3 292 52.361 56.604 54.592 1.00 0.00 WT5 H ATOM 52191 H2 TIP3 292 51.509 57.613 55.333 1.00 0.00 WT5 H ATOM 52192 OH2 TIP3 303 85.725 45.402 64.829 1.00 0.00 WT5 O ATOM 52193 H1 TIP3 303 85.127 44.829 64.349 1.00 0.00 WT5 H ATOM 52194 H2 TIP3 303 85.483 46.286 64.553 1.00 0.00 WT5 H ATOM 52195 OH2 TIP3 306 75.137 79.610 19.011 1.00 0.00 WT5 O ATOM 52196 H1 TIP3 306 74.733 79.437 19.861 1.00 0.00 WT5 H ATOM 52197 H2 TIP3 306 74.978 78.814 18.503 1.00 0.00 WT5 H ATOM 52198 OH2 TIP3 307 43.649 82.686 13.678 1.00 0.00 WT5 O ATOM 52199 H1 TIP3 307 44.532 82.457 13.388 1.00 0.00 WT5 H ATOM 52200 H2 TIP3 307 43.325 81.896 14.110 1.00 0.00 WT5 H ATOM 52201 OH2 TIP3 309 65.589 40.978 62.480 1.00 0.00 WT5 O ATOM 52202 H1 TIP3 309 66.055 40.458 63.135 1.00 0.00 WT5 H ATOM 52203 H2 TIP3 309 64.806 41.289 62.933 1.00 0.00 WT5 H ATOM 52204 OH2 TIP3 313 40.218 20.944 6.364 1.00 0.00 WT5 O ATOM 52205 H1 TIP3 313 39.694 20.413 6.964 1.00 0.00 WT5 H ATOM 52206 H2 TIP3 313 40.089 21.844 6.665 1.00 0.00 WT5 H ATOM 52207 OH2 TIP3 314 47.771 42.352 20.501 1.00 0.00 WT5 O ATOM 52208 H1 TIP3 314 48.007 43.279 20.462 1.00 0.00 WT5 H ATOM 52209 H2 TIP3 314 48.586 41.888 20.308 1.00 0.00 WT5 H ATOM 52210 OH2 TIP3 323 65.607 50.829 1.558 1.00 0.00 WT5 O ATOM 52211 H1 TIP3 323 64.758 51.174 1.281 1.00 0.00 WT5 H ATOM 52212 H2 TIP3 323 65.929 51.469 2.194 1.00 0.00 WT5 H ATOM 52213 OH2 TIP3 325 74.460 0.178 -20.130 1.00 0.00 WT5 O ATOM 52214 H1 TIP3 325 75.276 -0.282 -19.934 1.00 0.00 WT5 H ATOM 52215 H2 TIP3 325 74.417 0.878 -19.479 1.00 0.00 WT5 H ATOM 52216 OH2 TIP3 327 39.365 48.249 19.709 1.00 0.00 WT5 O ATOM 52217 H1 TIP3 327 40.224 48.589 19.961 1.00 0.00 WT5 H ATOM 52218 H2 TIP3 327 39.401 47.318 19.929 1.00 0.00 WT5 H ATOM 52219 OH2 TIP3 328 88.445 93.353 -2.293 1.00 0.00 WT5 O ATOM 52220 H1 TIP3 328 88.387 94.085 -1.679 1.00 0.00 WT5 H ATOM 52221 H2 TIP3 328 87.691 92.803 -2.083 1.00 0.00 WT5 H ATOM 52222 OH2 TIP3 329 23.336 67.671 -14.467 1.00 0.00 WT5 O ATOM 52223 H1 TIP3 329 23.201 67.637 -15.415 1.00 0.00 WT5 H ATOM 52224 H2 TIP3 329 23.564 68.584 -14.290 1.00 0.00 WT5 H ATOM 52225 OH2 TIP3 336 84.079 11.521 47.737 1.00 0.00 WT5 O ATOM 52226 H1 TIP3 336 84.282 11.793 48.632 1.00 0.00 WT5 H ATOM 52227 H2 TIP3 336 84.356 10.606 47.695 1.00 0.00 WT5 H ATOM 52228 OH2 TIP3 338 52.193 53.414 -5.332 1.00 0.00 WT5 O ATOM 52229 H1 TIP3 338 52.473 54.301 -5.105 1.00 0.00 WT5 H ATOM 52230 H2 TIP3 338 51.524 53.200 -4.681 1.00 0.00 WT5 H ATOM 52231 OH2 TIP3 344 85.966 48.918 36.801 1.00 0.00 WT5 O ATOM 52232 H1 TIP3 344 85.058 49.092 36.554 1.00 0.00 WT5 H ATOM 52233 H2 TIP3 344 85.983 47.984 37.012 1.00 0.00 WT5 H ATOM 52234 OH2 TIP3 347 38.554 52.003 4.069 1.00 0.00 WT5 O ATOM 52235 H1 TIP3 347 39.207 52.485 4.576 1.00 0.00 WT5 H ATOM 52236 H2 TIP3 347 39.046 51.627 3.339 1.00 0.00 WT5 H ATOM 52237 OH2 TIP3 352 45.194 48.077 34.103 1.00 0.00 WT5 O ATOM 52238 H1 TIP3 352 45.092 48.016 35.053 1.00 0.00 WT5 H ATOM 52239 H2 TIP3 352 45.963 47.541 33.909 1.00 0.00 WT5 H ATOM 52240 OH2 TIP3 359 86.780 6.111 66.920 1.00 0.00 WT5 O ATOM 52241 H1 TIP3 359 87.714 5.977 67.083 1.00 0.00 WT5 H ATOM 52242 H2 TIP3 359 86.547 6.863 67.464 1.00 0.00 WT5 H ATOM 52243 OH2 TIP3 372 87.109 37.642 53.446 1.00 0.00 WT5 O ATOM 52244 H1 TIP3 372 86.910 36.743 53.707 1.00 0.00 WT5 H ATOM 52245 H2 TIP3 372 87.177 38.122 54.272 1.00 0.00 WT5 H ATOM 52246 OH2 TIP3 379 27.964 4.135 50.028 1.00 0.00 WT5 O ATOM 52247 H1 TIP3 379 28.232 3.240 50.235 1.00 0.00 WT5 H ATOM 52248 H2 TIP3 379 28.701 4.498 49.537 1.00 0.00 WT5 H ATOM 52249 OH2 TIP3 384 68.657 56.514 -6.348 1.00 0.00 WT5 O ATOM 52250 H1 TIP3 384 69.329 56.994 -6.831 1.00 0.00 WT5 H ATOM 52251 H2 TIP3 384 68.149 57.194 -5.904 1.00 0.00 WT5 H ATOM 52252 OH2 TIP3 389 65.460 35.687 4.026 1.00 0.00 WT5 O ATOM 52253 H1 TIP3 389 65.081 34.877 4.368 1.00 0.00 WT5 H ATOM 52254 H2 TIP3 389 65.191 36.360 4.651 1.00 0.00 WT5 H ATOM 52255 OH2 TIP3 391 27.179 62.306 -5.834 1.00 0.00 WT5 O ATOM 52256 H1 TIP3 391 27.183 62.987 -5.162 1.00 0.00 WT5 H ATOM 52257 H2 TIP3 391 26.890 62.755 -6.629 1.00 0.00 WT5 H ATOM 52258 OH2 TIP3 399 86.052 59.123 23.072 1.00 0.00 WT5 O ATOM 52259 H1 TIP3 399 86.120 58.743 22.196 1.00 0.00 WT5 H ATOM 52260 H2 TIP3 399 85.116 59.107 23.268 1.00 0.00 WT5 H ATOM 52261 OH2 TIP3 400 72.438 32.829 59.685 1.00 0.00 WT5 O ATOM 52262 H1 TIP3 400 71.735 33.478 59.713 1.00 0.00 WT5 H ATOM 52263 H2 TIP3 400 72.342 32.407 58.831 1.00 0.00 WT5 H ATOM 52264 OH2 TIP3 401 75.802 0.792 30.843 1.00 0.00 WT5 O ATOM 52265 H1 TIP3 401 75.417 1.559 31.266 1.00 0.00 WT5 H ATOM 52266 H2 TIP3 401 75.064 0.361 30.412 1.00 0.00 WT5 H ATOM 52267 OH2 TIP3 409 28.144 46.809 1.609 1.00 0.00 WT5 O ATOM 52268 H1 TIP3 409 28.516 47.641 1.316 1.00 0.00 WT5 H ATOM 52269 H2 TIP3 409 27.934 46.952 2.532 1.00 0.00 WT5 H ATOM 52270 OH2 TIP3 417 54.853 75.454 52.820 1.00 0.00 WT5 O ATOM 52271 H1 TIP3 417 54.873 76.037 53.579 1.00 0.00 WT5 H ATOM 52272 H2 TIP3 417 54.809 74.574 53.195 1.00 0.00 WT5 H ATOM 52273 OH2 TIP3 418 34.504 16.134 36.009 1.00 0.00 WT5 O ATOM 52274 H1 TIP3 418 34.077 15.933 35.176 1.00 0.00 WT5 H ATOM 52275 H2 TIP3 418 34.520 17.090 36.046 1.00 0.00 WT5 H ATOM 52276 OH2 TIP3 422 40.786 22.668 31.627 1.00 0.00 WT5 O ATOM 52277 H1 TIP3 422 41.178 23.326 32.202 1.00 0.00 WT5 H ATOM 52278 H2 TIP3 422 40.143 23.154 31.109 1.00 0.00 WT5 H ATOM 52279 OH2 TIP3 425 55.359 32.733 40.612 1.00 0.00 WT5 O ATOM 52280 H1 TIP3 425 55.739 32.141 39.964 1.00 0.00 WT5 H ATOM 52281 H2 TIP3 425 54.810 33.328 40.101 1.00 0.00 WT5 H ATOM 52282 OH2 TIP3 431 42.865 23.956 33.767 1.00 0.00 WT5 O ATOM 52283 H1 TIP3 431 43.021 24.893 33.888 1.00 0.00 WT5 H ATOM 52284 H2 TIP3 431 43.252 23.756 32.914 1.00 0.00 WT5 H ATOM 52285 OH2 TIP3 433 60.976 27.341 -6.854 1.00 0.00 WT5 O ATOM 52286 H1 TIP3 433 60.458 26.948 -6.152 1.00 0.00 WT5 H ATOM 52287 H2 TIP3 433 60.328 27.652 -7.486 1.00 0.00 WT5 H ATOM 52288 OH2 TIP3 460 26.355 87.687 46.448 1.00 0.00 WT5 O ATOM 52289 H1 TIP3 460 26.808 88.457 46.792 1.00 0.00 WT5 H ATOM 52290 H2 TIP3 460 25.651 88.045 45.907 1.00 0.00 WT5 H ATOM 52291 OH2 TIP3 462 56.132 80.143 4.949 1.00 0.00 WT5 O ATOM 52292 H1 TIP3 462 56.209 79.249 4.617 1.00 0.00 WT5 H ATOM 52293 H2 TIP3 462 56.958 80.301 5.407 1.00 0.00 WT5 H ATOM 52294 OH2 TIP3 463 30.949 44.303 34.538 1.00 0.00 WT5 O ATOM 52295 H1 TIP3 463 31.725 44.769 34.225 1.00 0.00 WT5 H ATOM 52296 H2 TIP3 463 30.748 43.678 33.841 1.00 0.00 WT5 H ATOM 52297 OH2 TIP3 470 71.863 46.427 59.192 1.00 0.00 WT5 O ATOM 52298 H1 TIP3 470 72.419 47.197 59.311 1.00 0.00 WT5 H ATOM 52299 H2 TIP3 470 71.454 46.293 60.047 1.00 0.00 WT5 H ATOM 52300 OH2 TIP3 472 89.347 80.359 -17.742 1.00 0.00 WT5 O ATOM 52301 H1 TIP3 472 88.638 80.230 -18.372 1.00 0.00 WT5 H ATOM 52302 H2 TIP3 472 89.165 81.212 -17.348 1.00 0.00 WT5 H ATOM 52303 OH2 TIP3 480 28.366 67.148 31.425 1.00 0.00 WT5 O ATOM 52304 H1 TIP3 480 27.458 67.308 31.171 1.00 0.00 WT5 H ATOM 52305 H2 TIP3 480 28.844 67.110 30.596 1.00 0.00 WT5 H ATOM 52306 OH2 TIP3 481 38.614 43.839 -12.058 1.00 0.00 WT5 O ATOM 52307 H1 TIP3 481 37.744 43.499 -12.269 1.00 0.00 WT5 H ATOM 52308 H2 TIP3 481 38.628 44.717 -12.439 1.00 0.00 WT5 H ATOM 52309 OH2 TIP3 485 36.993 34.515 63.944 1.00 0.00 WT5 O ATOM 52310 H1 TIP3 485 37.681 34.685 63.301 1.00 0.00 WT5 H ATOM 52311 H2 TIP3 485 36.545 33.735 63.616 1.00 0.00 WT5 H ATOM 52312 OH2 TIP3 486 67.101 17.236 4.344 1.00 0.00 WT5 O ATOM 52313 H1 TIP3 486 66.656 17.581 5.119 1.00 0.00 WT5 H ATOM 52314 H2 TIP3 486 67.993 17.577 4.408 1.00 0.00 WT5 H ATOM 52315 OH2 TIP3 489 54.959 95.444 -12.093 1.00 0.00 WT5 O ATOM 52316 H1 TIP3 489 54.236 95.389 -12.719 1.00 0.00 WT5 H ATOM 52317 H2 TIP3 489 55.668 94.949 -12.502 1.00 0.00 WT5 H ATOM 52318 OH2 TIP3 490 82.876 95.770 49.617 1.00 0.00 WT5 O ATOM 52319 H1 TIP3 490 82.161 96.354 49.872 1.00 0.00 WT5 H ATOM 52320 H2 TIP3 490 82.729 94.974 50.127 1.00 0.00 WT5 H ATOM 52321 OH2 TIP3 491 42.645 42.332 -3.473 1.00 0.00 WT5 O ATOM 52322 H1 TIP3 491 42.780 42.002 -2.584 1.00 0.00 WT5 H ATOM 52323 H2 TIP3 491 41.999 43.032 -3.374 1.00 0.00 WT5 H ATOM 52324 OH2 TIP3 494 73.968 2.694 -8.759 1.00 0.00 WT5 O ATOM 52325 H1 TIP3 494 74.643 2.027 -8.883 1.00 0.00 WT5 H ATOM 52326 H2 TIP3 494 74.266 3.438 -9.281 1.00 0.00 WT5 H ATOM 52327 OH2 TIP3 496 81.713 57.407 24.899 1.00 0.00 WT5 O ATOM 52328 H1 TIP3 496 81.119 56.942 24.309 1.00 0.00 WT5 H ATOM 52329 H2 TIP3 496 81.163 57.664 25.639 1.00 0.00 WT5 H ATOM 52330 OH2 TIP3 501 77.868 21.332 12.331 1.00 0.00 WT5 O ATOM 52331 H1 TIP3 501 77.042 21.198 12.796 1.00 0.00 WT5 H ATOM 52332 H2 TIP3 501 78.366 21.925 12.894 1.00 0.00 WT5 H ATOM 52333 OH2 TIP3 502 76.199 49.477 13.674 1.00 0.00 WT5 O ATOM 52334 H1 TIP3 502 76.929 50.053 13.448 1.00 0.00 WT5 H ATOM 52335 H2 TIP3 502 75.565 50.050 14.104 1.00 0.00 WT5 H ATOM 52336 OH2 TIP3 503 51.620 75.139 -12.767 1.00 0.00 WT5 O ATOM 52337 H1 TIP3 503 52.293 74.504 -12.523 1.00 0.00 WT5 H ATOM 52338 H2 TIP3 503 51.400 75.583 -11.948 1.00 0.00 WT5 H ATOM 52339 OH2 TIP3 506 77.021 88.903 -14.465 1.00 0.00 WT5 O ATOM 52340 H1 TIP3 506 77.906 89.076 -14.785 1.00 0.00 WT5 H ATOM 52341 H2 TIP3 506 76.456 89.077 -15.217 1.00 0.00 WT5 H ATOM 52342 OH2 TIP3 509 75.378 7.254 56.169 1.00 0.00 WT5 O ATOM 52343 H1 TIP3 509 74.463 7.259 55.888 1.00 0.00 WT5 H ATOM 52344 H2 TIP3 509 75.878 7.159 55.359 1.00 0.00 WT5 H ATOM 52345 OH2 TIP3 511 29.272 73.196 -16.260 1.00 0.00 WT5 O ATOM 52346 H1 TIP3 511 28.855 73.465 -15.441 1.00 0.00 WT5 H ATOM 52347 H2 TIP3 511 29.644 72.335 -16.069 1.00 0.00 WT5 H ATOM 52348 OH2 TIP3 515 34.607 87.100 62.712 1.00 0.00 WT5 O ATOM 52349 H1 TIP3 515 34.000 87.698 62.275 1.00 0.00 WT5 H ATOM 52350 H2 TIP3 515 34.111 86.287 62.813 1.00 0.00 WT5 H ATOM 52351 OH2 TIP3 516 35.878 79.239 7.408 1.00 0.00 WT5 O ATOM 52352 H1 TIP3 516 36.696 78.811 7.155 1.00 0.00 WT5 H ATOM 52353 H2 TIP3 516 35.889 80.075 6.941 1.00 0.00 WT5 H ATOM 52354 OH2 TIP3 520 59.147 33.288 35.745 1.00 0.00 WT5 O ATOM 52355 H1 TIP3 520 58.713 33.166 34.901 1.00 0.00 WT5 H ATOM 52356 H2 TIP3 520 58.460 33.623 36.322 1.00 0.00 WT5 H ATOM 52357 OH2 TIP3 521 89.136 76.799 21.052 1.00 0.00 WT5 O ATOM 52358 H1 TIP3 521 88.907 75.905 20.798 1.00 0.00 WT5 H ATOM 52359 H2 TIP3 521 88.369 77.117 21.528 1.00 0.00 WT5 H ATOM 52360 OH2 TIP3 526 23.462 78.736 43.676 1.00 0.00 WT5 O ATOM 52361 H1 TIP3 526 24.398 78.869 43.824 1.00 0.00 WT5 H ATOM 52362 H2 TIP3 526 23.126 79.607 43.467 1.00 0.00 WT5 H ATOM 52363 OH2 TIP3 540 78.662 94.567 -19.436 1.00 0.00 WT5 O ATOM 52364 H1 TIP3 540 78.794 95.126 -20.203 1.00 0.00 WT5 H ATOM 52365 H2 TIP3 540 78.574 95.179 -18.706 1.00 0.00 WT5 H ATOM 52366 OH2 TIP3 541 28.911 17.845 -7.052 1.00 0.00 WT5 O ATOM 52367 H1 TIP3 541 29.702 18.201 -6.647 1.00 0.00 WT5 H ATOM 52368 H2 TIP3 541 28.739 17.036 -6.571 1.00 0.00 WT5 H ATOM 52369 OH2 TIP3 545 87.469 82.248 7.449 1.00 0.00 WT5 O ATOM 52370 H1 TIP3 545 86.854 81.652 7.876 1.00 0.00 WT5 H ATOM 52371 H2 TIP3 545 88.328 81.851 7.592 1.00 0.00 WT5 H ATOM 52372 OH2 TIP3 548 26.130 9.109 12.981 1.00 0.00 WT5 O ATOM 52373 H1 TIP3 548 26.324 8.200 13.208 1.00 0.00 WT5 H ATOM 52374 H2 TIP3 548 26.745 9.624 13.503 1.00 0.00 WT5 H ATOM 52375 OH2 TIP3 550 70.549 74.332 5.059 1.00 0.00 WT5 O ATOM 52376 H1 TIP3 550 70.191 73.540 4.658 1.00 0.00 WT5 H ATOM 52377 H2 TIP3 550 71.096 74.012 5.776 1.00 0.00 WT5 H ATOM 52378 OH2 TIP3 551 54.714 20.350 41.139 1.00 0.00 WT5 O ATOM 52379 H1 TIP3 551 55.305 20.525 41.871 1.00 0.00 WT5 H ATOM 52380 H2 TIP3 551 53.882 20.743 41.402 1.00 0.00 WT5 H ATOM 52381 OH2 TIP3 555 76.049 36.825 0.174 1.00 0.00 WT5 O ATOM 52382 H1 TIP3 555 75.854 36.320 -0.616 1.00 0.00 WT5 H ATOM 52383 H2 TIP3 555 76.943 37.140 0.042 1.00 0.00 WT5 H ATOM 52384 OH2 TIP3 556 83.833 82.933 44.136 1.00 0.00 WT5 O ATOM 52385 H1 TIP3 556 83.292 82.415 44.731 1.00 0.00 WT5 H ATOM 52386 H2 TIP3 556 83.514 83.830 44.240 1.00 0.00 WT5 H ATOM 52387 OH2 TIP3 562 22.091 88.564 0.798 1.00 0.00 WT5 O ATOM 52388 H1 TIP3 562 22.081 89.419 0.368 1.00 0.00 WT5 H ATOM 52389 H2 TIP3 562 23.002 88.276 0.737 1.00 0.00 WT5 H ATOM 52390 OH2 TIP3 564 35.049 27.199 21.732 1.00 0.00 WT5 O ATOM 52391 H1 TIP3 564 34.120 26.976 21.786 1.00 0.00 WT5 H ATOM 52392 H2 TIP3 564 35.060 28.131 21.512 1.00 0.00 WT5 H ATOM 52393 OH2 TIP3 566 83.859 82.251 8.460 1.00 0.00 WT5 O ATOM 52394 H1 TIP3 566 84.267 81.408 8.261 1.00 0.00 WT5 H ATOM 52395 H2 TIP3 566 82.961 82.031 8.705 1.00 0.00 WT5 H ATOM 52396 OH2 TIP3 570 89.317 78.823 28.087 1.00 0.00 WT5 O ATOM 52397 H1 TIP3 570 90.165 78.380 28.070 1.00 0.00 WT5 H ATOM 52398 H2 TIP3 570 89.121 79.003 27.168 1.00 0.00 WT5 H ATOM 52399 OH2 TIP3 573 72.146 82.948 48.113 1.00 0.00 WT5 O ATOM 52400 H1 TIP3 573 73.053 83.232 47.998 1.00 0.00 WT5 H ATOM 52401 H2 TIP3 573 71.731 83.119 47.267 1.00 0.00 WT5 H ATOM 52402 OH2 TIP3 575 28.064 0.557 63.592 1.00 0.00 WT5 O ATOM 52403 H1 TIP3 575 28.922 0.386 63.981 1.00 0.00 WT5 H ATOM 52404 H2 TIP3 575 27.527 0.866 64.322 1.00 0.00 WT5 H ATOM 52405 OH2 TIP3 576 67.380 44.570 -14.423 1.00 0.00 WT5 O ATOM 52406 H1 TIP3 576 67.570 44.816 -13.518 1.00 0.00 WT5 H ATOM 52407 H2 TIP3 576 66.526 44.964 -14.605 1.00 0.00 WT5 H ATOM 52408 OH2 TIP3 578 85.592 64.940 56.512 1.00 0.00 WT5 O ATOM 52409 H1 TIP3 578 85.129 64.819 55.682 1.00 0.00 WT5 H ATOM 52410 H2 TIP3 578 86.456 65.267 56.259 1.00 0.00 WT5 H ATOM 52411 OH2 TIP3 584 53.040 8.163 43.991 1.00 0.00 WT5 O ATOM 52412 H1 TIP3 584 52.647 7.868 43.169 1.00 0.00 WT5 H ATOM 52413 H2 TIP3 584 52.757 7.516 44.637 1.00 0.00 WT5 H ATOM 52414 OH2 TIP3 586 61.150 39.209 -10.321 1.00 0.00 WT5 O ATOM 52415 H1 TIP3 586 60.484 39.486 -9.692 1.00 0.00 WT5 H ATOM 52416 H2 TIP3 586 61.619 38.502 -9.878 1.00 0.00 WT5 H ATOM 52417 OH2 TIP3 591 41.370 6.404 59.305 1.00 0.00 WT5 O ATOM 52418 H1 TIP3 591 42.074 5.759 59.244 1.00 0.00 WT5 H ATOM 52419 H2 TIP3 591 40.962 6.396 58.439 1.00 0.00 WT5 H ATOM 52420 OH2 TIP3 593 45.059 28.148 50.549 1.00 0.00 WT5 O ATOM 52421 H1 TIP3 593 44.336 28.391 49.970 1.00 0.00 WT5 H ATOM 52422 H2 TIP3 593 45.830 28.557 50.154 1.00 0.00 WT5 H ATOM 52423 OH2 TIP3 594 25.094 90.971 39.477 1.00 0.00 WT5 O ATOM 52424 H1 TIP3 594 25.652 91.370 38.809 1.00 0.00 WT5 H ATOM 52425 H2 TIP3 594 24.853 90.120 39.112 1.00 0.00 WT5 H ATOM 52426 OH2 TIP3 599 32.603 29.627 29.877 1.00 0.00 WT5 O ATOM 52427 H1 TIP3 599 32.899 30.513 29.668 1.00 0.00 WT5 H ATOM 52428 H2 TIP3 599 31.952 29.748 30.568 1.00 0.00 WT5 H ATOM 52429 OH2 TIP3 600 21.431 41.229 5.306 1.00 0.00 WT5 O ATOM 52430 H1 TIP3 600 21.768 42.122 5.228 1.00 0.00 WT5 H ATOM 52431 H2 TIP3 600 21.448 41.047 6.246 1.00 0.00 WT5 H ATOM 52432 OH2 TIP3 602 50.604 35.085 36.772 1.00 0.00 WT5 O ATOM 52433 H1 TIP3 602 49.937 35.418 36.172 1.00 0.00 WT5 H ATOM 52434 H2 TIP3 602 51.133 35.852 36.992 1.00 0.00 WT5 H ATOM 52435 OH2 TIP3 606 36.896 32.521 60.130 1.00 0.00 WT5 O ATOM 52436 H1 TIP3 606 36.580 31.694 60.495 1.00 0.00 WT5 H ATOM 52437 H2 TIP3 606 36.952 33.110 60.882 1.00 0.00 WT5 H ATOM 52438 OH2 TIP3 610 80.613 25.517 -7.432 1.00 0.00 WT5 O ATOM 52439 H1 TIP3 610 81.348 26.131 -7.437 1.00 0.00 WT5 H ATOM 52440 H2 TIP3 610 79.997 25.877 -8.070 1.00 0.00 WT5 H ATOM 52441 OH2 TIP3 616 39.045 86.586 2.271 1.00 0.00 WT5 O ATOM 52442 H1 TIP3 616 39.689 87.284 2.388 1.00 0.00 WT5 H ATOM 52443 H2 TIP3 616 39.519 85.783 2.485 1.00 0.00 WT5 H ATOM 52444 OH2 TIP3 626 88.224 72.700 13.262 1.00 0.00 WT5 O ATOM 52445 H1 TIP3 626 87.898 72.378 14.102 1.00 0.00 WT5 H ATOM 52446 H2 TIP3 626 88.409 71.908 12.757 1.00 0.00 WT5 H ATOM 52447 OH2 TIP3 629 22.494 62.371 50.100 1.00 0.00 WT5 O ATOM 52448 H1 TIP3 629 21.652 62.609 49.712 1.00 0.00 WT5 H ATOM 52449 H2 TIP3 629 22.970 63.198 50.167 1.00 0.00 WT5 H ATOM 52450 OH2 TIP3 638 41.247 2.355 19.913 1.00 0.00 WT5 O ATOM 52451 H1 TIP3 638 40.993 1.481 20.211 1.00 0.00 WT5 H ATOM 52452 H2 TIP3 638 40.972 2.384 18.996 1.00 0.00 WT5 H ATOM 52453 OH2 TIP3 639 36.065 43.284 31.000 1.00 0.00 WT5 O ATOM 52454 H1 TIP3 639 36.769 42.719 30.682 1.00 0.00 WT5 H ATOM 52455 H2 TIP3 639 36.004 43.983 30.348 1.00 0.00 WT5 H ATOM 52456 OH2 TIP3 642 54.790 80.627 7.402 1.00 0.00 WT5 O ATOM 52457 H1 TIP3 642 55.344 80.007 7.876 1.00 0.00 WT5 H ATOM 52458 H2 TIP3 642 55.077 80.559 6.492 1.00 0.00 WT5 H ATOM 52459 OH2 TIP3 649 77.758 28.315 38.037 1.00 0.00 WT5 O ATOM 52460 H1 TIP3 649 78.037 27.988 37.182 1.00 0.00 WT5 H ATOM 52461 H2 TIP3 649 77.016 28.888 37.845 1.00 0.00 WT5 H ATOM 52462 OH2 TIP3 650 80.988 74.135 2.550 1.00 0.00 WT5 O ATOM 52463 H1 TIP3 650 80.448 74.925 2.541 1.00 0.00 WT5 H ATOM 52464 H2 TIP3 650 80.753 73.692 3.365 1.00 0.00 WT5 H ATOM 52465 OH2 TIP3 662 58.282 80.658 0.942 1.00 0.00 WT5 O ATOM 52466 H1 TIP3 662 57.566 80.898 1.531 1.00 0.00 WT5 H ATOM 52467 H2 TIP3 662 58.428 79.727 1.109 1.00 0.00 WT5 H ATOM 52468 OH2 TIP3 666 61.440 25.867 22.149 1.00 0.00 WT5 O ATOM 52469 H1 TIP3 666 60.555 25.511 22.220 1.00 0.00 WT5 H ATOM 52470 H2 TIP3 666 61.312 26.810 22.045 1.00 0.00 WT5 H ATOM 52471 OH2 TIP3 668 58.991 38.075 23.533 1.00 0.00 WT5 O ATOM 52472 H1 TIP3 668 58.161 37.598 23.530 1.00 0.00 WT5 H ATOM 52473 H2 TIP3 668 58.778 38.925 23.919 1.00 0.00 WT5 H ATOM 52474 OH2 TIP3 671 44.428 50.187 39.452 1.00 0.00 WT5 O ATOM 52475 H1 TIP3 671 43.817 50.344 38.732 1.00 0.00 WT5 H ATOM 52476 H2 TIP3 671 44.490 49.234 39.510 1.00 0.00 WT5 H ATOM 52477 OH2 TIP3 673 74.962 60.759 32.379 1.00 0.00 WT5 O ATOM 52478 H1 TIP3 673 75.386 60.748 31.521 1.00 0.00 WT5 H ATOM 52479 H2 TIP3 673 74.823 59.836 32.590 1.00 0.00 WT5 H ATOM 52480 OH2 TIP3 677 67.564 53.362 1.061 1.00 0.00 WT5 O ATOM 52481 H1 TIP3 677 67.765 54.282 1.230 1.00 0.00 WT5 H ATOM 52482 H2 TIP3 677 67.512 52.964 1.930 1.00 0.00 WT5 H ATOM 52483 OH2 TIP3 678 75.637 56.070 30.553 1.00 0.00 WT5 O ATOM 52484 H1 TIP3 678 74.952 56.563 30.101 1.00 0.00 WT5 H ATOM 52485 H2 TIP3 678 75.306 55.172 30.583 1.00 0.00 WT5 H ATOM 52486 OH2 TIP3 684 36.301 87.409 12.092 1.00 0.00 WT5 O ATOM 52487 H1 TIP3 684 36.038 86.606 11.643 1.00 0.00 WT5 H ATOM 52488 H2 TIP3 684 35.667 87.506 12.802 1.00 0.00 WT5 H ATOM 52489 OH2 TIP3 688 80.617 57.452 -7.666 1.00 0.00 WT5 O ATOM 52490 H1 TIP3 688 79.705 57.499 -7.952 1.00 0.00 WT5 H ATOM 52491 H2 TIP3 688 80.854 58.358 -7.468 1.00 0.00 WT5 H ATOM 52492 OH2 TIP3 691 44.363 77.734 54.993 1.00 0.00 WT5 O ATOM 52493 H1 TIP3 691 43.975 78.253 54.289 1.00 0.00 WT5 H ATOM 52494 H2 TIP3 691 44.065 78.160 55.797 1.00 0.00 WT5 H ATOM 52495 OH2 TIP3 704 43.699 93.537 41.743 1.00 0.00 WT5 O ATOM 52496 H1 TIP3 704 44.151 92.733 41.486 1.00 0.00 WT5 H ATOM 52497 H2 TIP3 704 42.906 93.548 41.207 1.00 0.00 WT5 H ATOM 52498 OH2 TIP3 711 51.731 2.531 37.026 1.00 0.00 WT5 O ATOM 52499 H1 TIP3 711 51.170 1.825 37.346 1.00 0.00 WT5 H ATOM 52500 H2 TIP3 711 52.566 2.396 37.475 1.00 0.00 WT5 H ATOM 52501 OH2 TIP3 715 39.965 13.531 49.535 1.00 0.00 WT5 O ATOM 52502 H1 TIP3 715 39.467 13.169 50.268 1.00 0.00 WT5 H ATOM 52503 H2 TIP3 715 40.410 12.776 49.151 1.00 0.00 WT5 H ATOM 52504 OH2 TIP3 717 43.725 47.832 -12.975 1.00 0.00 WT5 O ATOM 52505 H1 TIP3 717 44.364 48.440 -13.346 1.00 0.00 WT5 H ATOM 52506 H2 TIP3 717 43.181 48.374 -12.403 1.00 0.00 WT5 H ATOM 52507 OH2 TIP3 721 23.966 32.115 2.206 1.00 0.00 WT5 O ATOM 52508 H1 TIP3 721 23.154 32.381 1.775 1.00 0.00 WT5 H ATOM 52509 H2 TIP3 721 24.347 32.932 2.527 1.00 0.00 WT5 H ATOM 52510 OH2 TIP3 722 86.079 5.877 54.233 1.00 0.00 WT5 O ATOM 52511 H1 TIP3 722 86.176 4.932 54.344 1.00 0.00 WT5 H ATOM 52512 H2 TIP3 722 85.135 6.028 54.276 1.00 0.00 WT5 H ATOM 52513 OH2 TIP3 733 82.979 93.363 2.601 1.00 0.00 WT5 O ATOM 52514 H1 TIP3 733 82.456 93.573 1.828 1.00 0.00 WT5 H ATOM 52515 H2 TIP3 733 82.874 92.418 2.713 1.00 0.00 WT5 H ATOM 52516 OH2 TIP3 738 63.960 25.945 -4.911 1.00 0.00 WT5 O ATOM 52517 H1 TIP3 738 64.496 26.540 -4.387 1.00 0.00 WT5 H ATOM 52518 H2 TIP3 738 63.913 25.142 -4.391 1.00 0.00 WT5 H ATOM 52519 OH2 TIP3 746 59.013 27.597 11.146 1.00 0.00 WT5 O ATOM 52520 H1 TIP3 746 59.403 27.243 11.945 1.00 0.00 WT5 H ATOM 52521 H2 TIP3 746 58.645 28.440 11.412 1.00 0.00 WT5 H ATOM 52522 OH2 TIP3 753 77.264 49.630 7.607 1.00 0.00 WT5 O ATOM 52523 H1 TIP3 753 76.340 49.432 7.759 1.00 0.00 WT5 H ATOM 52524 H2 TIP3 753 77.283 50.574 7.445 1.00 0.00 WT5 H ATOM 52525 OH2 TIP3 754 81.648 48.182 0.541 1.00 0.00 WT5 O ATOM 52526 H1 TIP3 754 82.370 48.616 0.087 1.00 0.00 WT5 H ATOM 52527 H2 TIP3 754 80.892 48.311 -0.033 1.00 0.00 WT5 H ATOM 52528 OH2 TIP3 761 40.661 62.564 -1.553 1.00 0.00 WT5 O ATOM 52529 H1 TIP3 761 41.541 62.832 -1.290 1.00 0.00 WT5 H ATOM 52530 H2 TIP3 761 40.355 62.008 -0.837 1.00 0.00 WT5 H ATOM 52531 OH2 TIP3 766 21.956 94.323 65.303 1.00 0.00 WT5 O ATOM 52532 H1 TIP3 766 22.124 93.392 65.452 1.00 0.00 WT5 H ATOM 52533 H2 TIP3 766 21.732 94.380 64.374 1.00 0.00 WT5 H ATOM 52534 OH2 TIP3 768 37.845 46.628 -3.192 1.00 0.00 WT5 O ATOM 52535 H1 TIP3 768 37.091 46.643 -3.781 1.00 0.00 WT5 H ATOM 52536 H2 TIP3 768 38.204 47.514 -3.239 1.00 0.00 WT5 H ATOM 52537 OH2 TIP3 771 25.388 76.988 33.801 1.00 0.00 WT5 O ATOM 52538 H1 TIP3 771 26.260 77.058 34.190 1.00 0.00 WT5 H ATOM 52539 H2 TIP3 771 25.543 77.024 32.857 1.00 0.00 WT5 H ATOM 52540 OH2 TIP3 773 37.080 60.979 46.957 1.00 0.00 WT5 O ATOM 52541 H1 TIP3 773 37.481 61.516 46.274 1.00 0.00 WT5 H ATOM 52542 H2 TIP3 773 37.672 60.233 47.056 1.00 0.00 WT5 H ATOM 52543 OH2 TIP3 778 25.078 64.357 19.251 1.00 0.00 WT5 O ATOM 52544 H1 TIP3 778 24.977 64.532 20.187 1.00 0.00 WT5 H ATOM 52545 H2 TIP3 778 25.651 65.057 18.937 1.00 0.00 WT5 H ATOM 52546 OH2 TIP3 779 29.673 2.785 6.341 1.00 0.00 WT5 O ATOM 52547 H1 TIP3 779 29.058 2.610 7.053 1.00 0.00 WT5 H ATOM 52548 H2 TIP3 779 29.521 2.079 5.713 1.00 0.00 WT5 H ATOM 52549 OH2 TIP3 792 37.254 80.537 -6.695 1.00 0.00 WT5 O ATOM 52550 H1 TIP3 792 36.717 81.310 -6.870 1.00 0.00 WT5 H ATOM 52551 H2 TIP3 792 36.923 80.197 -5.863 1.00 0.00 WT5 H ATOM 52552 OH2 TIP3 807 72.861 60.790 -7.778 1.00 0.00 WT5 O ATOM 52553 H1 TIP3 807 72.542 61.691 -7.731 1.00 0.00 WT5 H ATOM 52554 H2 TIP3 807 72.271 60.359 -8.397 1.00 0.00 WT5 H ATOM 52555 OH2 TIP3 808 43.128 84.789 -16.706 1.00 0.00 WT5 O ATOM 52556 H1 TIP3 808 43.533 84.208 -16.062 1.00 0.00 WT5 H ATOM 52557 H2 TIP3 808 42.190 84.738 -16.518 1.00 0.00 WT5 H ATOM 52558 OH2 TIP3 812 28.102 21.825 45.026 1.00 0.00 WT5 O ATOM 52559 H1 TIP3 812 28.791 21.285 44.639 1.00 0.00 WT5 H ATOM 52560 H2 TIP3 812 28.473 22.131 45.853 1.00 0.00 WT5 H ATOM 52561 OH2 TIP3 814 72.654 64.182 18.384 1.00 0.00 WT5 O ATOM 52562 H1 TIP3 814 72.840 64.478 19.276 1.00 0.00 WT5 H ATOM 52563 H2 TIP3 814 72.119 63.397 18.498 1.00 0.00 WT5 H ATOM 52564 OH2 TIP3 820 72.769 79.277 39.866 1.00 0.00 WT5 O ATOM 52565 H1 TIP3 820 72.375 79.792 40.569 1.00 0.00 WT5 H ATOM 52566 H2 TIP3 820 72.035 79.047 39.297 1.00 0.00 WT5 H ATOM 52567 OH2 TIP3 822 38.897 45.970 -13.993 1.00 0.00 WT5 O ATOM 52568 H1 TIP3 822 38.732 46.537 -13.240 1.00 0.00 WT5 H ATOM 52569 H2 TIP3 822 39.840 46.037 -14.143 1.00 0.00 WT5 H ATOM 52570 OH2 TIP3 824 53.448 73.031 8.745 1.00 0.00 WT5 O ATOM 52571 H1 TIP3 824 52.624 73.504 8.630 1.00 0.00 WT5 H ATOM 52572 H2 TIP3 824 53.403 72.684 9.637 1.00 0.00 WT5 H ATOM 52573 OH2 TIP3 827 78.780 8.433 4.240 1.00 0.00 WT5 O ATOM 52574 H1 TIP3 827 79.394 8.502 3.509 1.00 0.00 WT5 H ATOM 52575 H2 TIP3 827 79.325 8.189 4.988 1.00 0.00 WT5 H ATOM 52576 OH2 TIP3 829 47.346 32.012 -0.451 1.00 0.00 WT5 O ATOM 52577 H1 TIP3 829 47.435 31.966 -1.403 1.00 0.00 WT5 H ATOM 52578 H2 TIP3 829 47.048 32.906 -0.281 1.00 0.00 WT5 H ATOM 52579 OH2 TIP3 834 72.775 36.827 33.330 1.00 0.00 WT5 O ATOM 52580 H1 TIP3 834 73.697 36.606 33.461 1.00 0.00 WT5 H ATOM 52581 H2 TIP3 834 72.792 37.688 32.911 1.00 0.00 WT5 H ATOM 52582 OH2 TIP3 836 89.176 92.960 2.314 1.00 0.00 WT5 O ATOM 52583 H1 TIP3 836 88.770 92.093 2.325 1.00 0.00 WT5 H ATOM 52584 H2 TIP3 836 88.443 93.568 2.220 1.00 0.00 WT5 H ATOM 52585 OH2 TIP3 843 74.609 31.998 27.726 1.00 0.00 WT5 O ATOM 52586 H1 TIP3 843 74.003 32.025 28.466 1.00 0.00 WT5 H ATOM 52587 H2 TIP3 843 74.058 32.148 26.958 1.00 0.00 WT5 H ATOM 52588 OH2 TIP3 846 20.332 70.958 14.756 1.00 0.00 WT5 O ATOM 52589 H1 TIP3 846 20.486 71.867 14.498 1.00 0.00 WT5 H ATOM 52590 H2 TIP3 846 21.102 70.485 14.441 1.00 0.00 WT5 H ATOM 52591 OH2 TIP3 852 87.776 83.244 -14.001 1.00 0.00 WT5 O ATOM 52592 H1 TIP3 852 88.678 82.949 -14.122 1.00 0.00 WT5 H ATOM 52593 H2 TIP3 852 87.452 82.731 -13.260 1.00 0.00 WT5 H ATOM 52594 OH2 TIP3 854 33.477 95.722 -4.780 1.00 0.00 WT5 O ATOM 52595 H1 TIP3 854 32.815 96.393 -4.616 1.00 0.00 WT5 H ATOM 52596 H2 TIP3 854 32.991 94.897 -4.766 1.00 0.00 WT5 H ATOM 52597 OH2 TIP3 860 26.227 91.044 1.433 1.00 0.00 WT5 O ATOM 52598 H1 TIP3 860 26.705 91.837 1.674 1.00 0.00 WT5 H ATOM 52599 H2 TIP3 860 25.390 91.120 1.892 1.00 0.00 WT5 H ATOM 52600 OH2 TIP3 868 57.833 60.943 57.867 1.00 0.00 WT5 O ATOM 52601 H1 TIP3 868 57.779 60.055 58.221 1.00 0.00 WT5 H ATOM 52602 H2 TIP3 868 57.603 61.508 58.604 1.00 0.00 WT5 H ATOM 52603 OH2 TIP3 878 64.450 75.868 59.251 1.00 0.00 WT5 O ATOM 52604 H1 TIP3 878 63.529 75.609 59.222 1.00 0.00 WT5 H ATOM 52605 H2 TIP3 878 64.715 75.915 58.333 1.00 0.00 WT5 H ATOM 52606 OH2 TIP3 880 20.376 13.148 34.288 1.00 0.00 WT5 O ATOM 52607 H1 TIP3 880 19.754 13.757 34.687 1.00 0.00 WT5 H ATOM 52608 H2 TIP3 880 21.001 13.709 33.830 1.00 0.00 WT5 H ATOM 52609 OH2 TIP3 884 62.843 31.077 51.813 1.00 0.00 WT5 O ATOM 52610 H1 TIP3 884 63.050 31.238 50.892 1.00 0.00 WT5 H ATOM 52611 H2 TIP3 884 63.695 30.964 52.234 1.00 0.00 WT5 H ATOM 52612 OH2 TIP3 889 63.457 96.176 59.968 1.00 0.00 WT5 O ATOM 52613 H1 TIP3 889 64.265 96.307 59.472 1.00 0.00 WT5 H ATOM 52614 H2 TIP3 889 62.884 95.695 59.371 1.00 0.00 WT5 H ATOM 52615 OH2 TIP3 892 41.142 77.588 -10.716 1.00 0.00 WT5 O ATOM 52616 H1 TIP3 892 40.387 77.012 -10.834 1.00 0.00 WT5 H ATOM 52617 H2 TIP3 892 41.051 77.924 -9.824 1.00 0.00 WT5 H ATOM 52618 OH2 TIP3 895 59.261 5.890 67.167 1.00 0.00 WT5 O ATOM 52619 H1 TIP3 895 59.764 5.104 66.953 1.00 0.00 WT5 H ATOM 52620 H2 TIP3 895 59.882 6.609 67.059 1.00 0.00 WT5 H ATOM 52621 OH2 TIP3 898 33.309 38.080 17.834 1.00 0.00 WT5 O ATOM 52622 H1 TIP3 898 33.753 38.493 18.575 1.00 0.00 WT5 H ATOM 52623 H2 TIP3 898 33.927 37.418 17.523 1.00 0.00 WT5 H ATOM 52624 OH2 TIP3 901 81.556 60.766 54.835 1.00 0.00 WT5 O ATOM 52625 H1 TIP3 901 80.888 61.339 54.459 1.00 0.00 WT5 H ATOM 52626 H2 TIP3 901 81.171 59.890 54.795 1.00 0.00 WT5 H ATOM 52627 OH2 TIP3 908 84.146 22.113 -2.441 1.00 0.00 WT5 O ATOM 52628 H1 TIP3 908 84.974 22.564 -2.276 1.00 0.00 WT5 H ATOM 52629 H2 TIP3 908 84.349 21.186 -2.318 1.00 0.00 WT5 H ATOM 52630 OH2 TIP3 919 52.219 39.117 34.405 1.00 0.00 WT5 O ATOM 52631 H1 TIP3 919 53.059 38.831 34.046 1.00 0.00 WT5 H ATOM 52632 H2 TIP3 919 51.650 39.209 33.640 1.00 0.00 WT5 H ATOM 52633 OH2 TIP3 928 59.734 91.976 9.182 1.00 0.00 WT5 O ATOM 52634 H1 TIP3 928 59.122 91.683 8.507 1.00 0.00 WT5 H ATOM 52635 H2 TIP3 928 59.908 91.194 9.705 1.00 0.00 WT5 H ATOM 52636 OH2 TIP3 930 26.382 92.788 32.846 1.00 0.00 WT5 O ATOM 52637 H1 TIP3 930 26.496 93.706 33.094 1.00 0.00 WT5 H ATOM 52638 H2 TIP3 930 26.526 92.302 33.658 1.00 0.00 WT5 H ATOM 52639 OH2 TIP3 933 30.878 10.450 63.305 1.00 0.00 WT5 O ATOM 52640 H1 TIP3 933 30.327 9.842 63.798 1.00 0.00 WT5 H ATOM 52641 H2 TIP3 933 31.157 9.952 62.537 1.00 0.00 WT5 H ATOM 52642 OH2 TIP3 934 26.848 38.872 32.120 1.00 0.00 WT5 O ATOM 52643 H1 TIP3 934 26.916 39.249 31.243 1.00 0.00 WT5 H ATOM 52644 H2 TIP3 934 27.505 39.342 32.634 1.00 0.00 WT5 H ATOM 52645 OH2 TIP3 936 42.710 15.026 -4.858 1.00 0.00 WT5 O ATOM 52646 H1 TIP3 936 41.787 15.254 -4.968 1.00 0.00 WT5 H ATOM 52647 H2 TIP3 936 43.149 15.865 -4.716 1.00 0.00 WT5 H ATOM 52648 OH2 TIP3 940 72.799 80.400 -10.635 1.00 0.00 WT5 O ATOM 52649 H1 TIP3 940 72.291 81.208 -10.554 1.00 0.00 WT5 H ATOM 52650 H2 TIP3 940 73.216 80.292 -9.780 1.00 0.00 WT5 H ATOM 52651 OH2 TIP3 944 21.824 82.699 51.851 1.00 0.00 WT5 O ATOM 52652 H1 TIP3 944 21.703 83.604 51.563 1.00 0.00 WT5 H ATOM 52653 H2 TIP3 944 22.406 82.315 51.197 1.00 0.00 WT5 H ATOM 52654 OH2 TIP3 954 69.441 22.529 6.418 1.00 0.00 WT5 O ATOM 52655 H1 TIP3 954 68.709 22.561 7.034 1.00 0.00 WT5 H ATOM 52656 H2 TIP3 954 69.783 23.423 6.406 1.00 0.00 WT5 H ATOM 52657 OH2 TIP3 958 77.259 46.965 14.296 1.00 0.00 WT5 O ATOM 52658 H1 TIP3 958 77.140 46.133 13.838 1.00 0.00 WT5 H ATOM 52659 H2 TIP3 958 76.809 47.607 13.747 1.00 0.00 WT5 H ATOM 52660 OH2 TIP3 960 30.553 91.226 -13.830 1.00 0.00 WT5 O ATOM 52661 H1 TIP3 960 30.611 90.431 -14.360 1.00 0.00 WT5 H ATOM 52662 H2 TIP3 960 31.335 91.205 -13.280 1.00 0.00 WT5 H ATOM 52663 OH2 TIP3 969 70.876 66.989 0.126 1.00 0.00 WT5 O ATOM 52664 H1 TIP3 969 71.462 67.744 0.177 1.00 0.00 WT5 H ATOM 52665 H2 TIP3 969 71.275 66.419 -0.531 1.00 0.00 WT5 H ATOM 52666 OH2 TIP3 978 62.282 49.186 37.576 1.00 0.00 WT5 O ATOM 52667 H1 TIP3 978 62.046 50.090 37.367 1.00 0.00 WT5 H ATOM 52668 H2 TIP3 978 61.746 48.656 36.985 1.00 0.00 WT5 H ATOM 52669 OH2 TIP3 981 69.190 76.769 31.594 1.00 0.00 WT5 O ATOM 52670 H1 TIP3 981 68.948 76.215 32.336 1.00 0.00 WT5 H ATOM 52671 H2 TIP3 981 68.908 77.648 31.848 1.00 0.00 WT5 H ATOM 52672 OH2 TIP3 982 66.631 22.034 -17.920 1.00 0.00 WT5 O ATOM 52673 H1 TIP3 982 67.133 21.254 -18.155 1.00 0.00 WT5 H ATOM 52674 H2 TIP3 982 66.549 22.523 -18.739 1.00 0.00 WT5 H ATOM 52675 OH2 TIP3 983 57.945 35.136 -16.373 1.00 0.00 WT5 O ATOM 52676 H1 TIP3 983 58.468 35.007 -15.582 1.00 0.00 WT5 H ATOM 52677 H2 TIP3 983 57.037 35.076 -16.073 1.00 0.00 WT5 H ATOM 52678 OH2 TIP3 986 80.933 27.041 63.112 1.00 0.00 WT5 O ATOM 52679 H1 TIP3 986 80.971 27.706 62.424 1.00 0.00 WT5 H ATOM 52680 H2 TIP3 986 80.597 27.506 63.877 1.00 0.00 WT5 H ATOM 52681 OH2 TIP3 999 74.515 4.036 58.889 1.00 0.00 WT5 O ATOM 52682 H1 TIP3 999 73.975 3.305 58.588 1.00 0.00 WT5 H ATOM 52683 H2 TIP3 999 74.976 3.693 59.655 1.00 0.00 WT5 H ATOM 52684 OH2 TIP3 1013 28.995 49.802 21.007 1.00 0.00 WT5 O ATOM 52685 H1 TIP3 1013 29.591 50.479 20.685 1.00 0.00 WT5 H ATOM 52686 H2 TIP3 1013 28.834 49.244 20.246 1.00 0.00 WT5 H ATOM 52687 OH2 TIP3 1018 24.344 79.878 60.927 1.00 0.00 WT5 O ATOM 52688 H1 TIP3 1018 24.790 79.123 60.544 1.00 0.00 WT5 H ATOM 52689 H2 TIP3 1018 24.843 80.634 60.618 1.00 0.00 WT5 H ATOM 52690 OH2 TIP3 1019 49.033 6.979 34.685 1.00 0.00 WT5 O ATOM 52691 H1 TIP3 1019 48.833 6.046 34.609 1.00 0.00 WT5 H ATOM 52692 H2 TIP3 1019 49.451 7.203 33.854 1.00 0.00 WT5 H ATOM 52693 OH2 TIP3 1024 24.747 12.378 46.424 1.00 0.00 WT5 O ATOM 52694 H1 TIP3 1024 25.641 12.705 46.527 1.00 0.00 WT5 H ATOM 52695 H2 TIP3 1024 24.850 11.535 45.981 1.00 0.00 WT5 H ATOM 52696 OH2 TIP3 1025 35.962 24.412 46.901 1.00 0.00 WT5 O ATOM 52697 H1 TIP3 1025 36.412 24.713 47.691 1.00 0.00 WT5 H ATOM 52698 H2 TIP3 1025 35.940 23.459 46.986 1.00 0.00 WT5 H ATOM 52699 OH2 TIP3 1043 25.335 11.284 11.201 1.00 0.00 WT5 O ATOM 52700 H1 TIP3 1043 24.506 11.618 11.544 1.00 0.00 WT5 H ATOM 52701 H2 TIP3 1043 25.628 10.651 11.857 1.00 0.00 WT5 H ATOM 52702 OH2 TIP3 1048 41.397 14.235 -16.625 1.00 0.00 WT5 O ATOM 52703 H1 TIP3 1048 42.229 14.030 -17.051 1.00 0.00 WT5 H ATOM 52704 H2 TIP3 1048 40.954 13.391 -16.542 1.00 0.00 WT5 H ATOM 52705 OH2 TIP3 1052 62.252 8.321 35.262 1.00 0.00 WT5 O ATOM 52706 H1 TIP3 1052 62.189 8.240 36.214 1.00 0.00 WT5 H ATOM 52707 H2 TIP3 1052 63.189 8.259 35.077 1.00 0.00 WT5 H ATOM 52708 OH2 TIP3 1061 76.632 65.287 61.333 1.00 0.00 WT5 O ATOM 52709 H1 TIP3 1061 75.866 65.846 61.200 1.00 0.00 WT5 H ATOM 52710 H2 TIP3 1061 76.609 64.671 60.600 1.00 0.00 WT5 H ATOM 52711 OH2 TIP3 1066 21.595 10.191 5.339 1.00 0.00 WT5 O ATOM 52712 H1 TIP3 1066 21.347 10.184 6.263 1.00 0.00 WT5 H ATOM 52713 H2 TIP3 1066 20.765 10.125 4.867 1.00 0.00 WT5 H ATOM 52714 OH2 TIP3 1071 59.721 37.270 -17.461 1.00 0.00 WT5 O ATOM 52715 H1 TIP3 1071 59.075 37.804 -17.924 1.00 0.00 WT5 H ATOM 52716 H2 TIP3 1071 59.203 36.599 -17.015 1.00 0.00 WT5 H ATOM 52717 OH2 TIP3 1076 21.136 27.709 1.635 1.00 0.00 WT5 O ATOM 52718 H1 TIP3 1076 21.531 27.140 2.295 1.00 0.00 WT5 H ATOM 52719 H2 TIP3 1076 21.100 27.171 0.844 1.00 0.00 WT5 H ATOM 52720 OH2 TIP3 1077 36.006 36.854 56.771 1.00 0.00 WT5 O ATOM 52721 H1 TIP3 1077 35.424 36.465 57.423 1.00 0.00 WT5 H ATOM 52722 H2 TIP3 1077 35.562 36.708 55.935 1.00 0.00 WT5 H ATOM 52723 OH2 TIP3 1098 82.527 69.350 67.268 1.00 0.00 WT5 O ATOM 52724 H1 TIP3 1098 82.975 69.228 66.431 1.00 0.00 WT5 H ATOM 52725 H2 TIP3 1098 81.991 68.563 67.369 1.00 0.00 WT5 H ATOM 52726 OH2 TIP3 1104 20.310 21.062 9.870 1.00 0.00 WT5 O ATOM 52727 H1 TIP3 1104 20.914 21.156 10.607 1.00 0.00 WT5 H ATOM 52728 H2 TIP3 1104 19.994 21.950 9.705 1.00 0.00 WT5 H ATOM 52729 OH2 TIP3 1122 89.555 84.535 56.662 1.00 0.00 WT5 O ATOM 52730 H1 TIP3 1122 90.170 84.976 57.247 1.00 0.00 WT5 H ATOM 52731 H2 TIP3 1122 89.663 84.978 55.821 1.00 0.00 WT5 H ATOM 52732 OH2 TIP3 1125 44.123 69.962 -15.525 1.00 0.00 WT5 O ATOM 52733 H1 TIP3 1125 44.019 70.832 -15.141 1.00 0.00 WT5 H ATOM 52734 H2 TIP3 1125 44.179 69.372 -14.774 1.00 0.00 WT5 H ATOM 52735 OH2 TIP3 1138 70.542 38.668 42.756 1.00 0.00 WT5 O ATOM 52736 H1 TIP3 1138 69.994 38.944 42.022 1.00 0.00 WT5 H ATOM 52737 H2 TIP3 1138 70.501 39.398 43.374 1.00 0.00 WT5 H ATOM 52738 OH2 TIP3 1153 79.852 58.136 7.468 1.00 0.00 WT5 O ATOM 52739 H1 TIP3 1153 80.206 57.278 7.232 1.00 0.00 WT5 H ATOM 52740 H2 TIP3 1153 79.100 57.940 8.027 1.00 0.00 WT5 H ATOM 52741 OH2 TIP3 1154 36.944 70.029 35.036 1.00 0.00 WT5 O ATOM 52742 H1 TIP3 1154 37.355 70.494 34.307 1.00 0.00 WT5 H ATOM 52743 H2 TIP3 1154 37.528 70.182 35.779 1.00 0.00 WT5 H ATOM 52744 OH2 TIP3 1163 84.610 55.076 -7.693 1.00 0.00 WT5 O ATOM 52745 H1 TIP3 1163 84.403 54.539 -6.928 1.00 0.00 WT5 H ATOM 52746 H2 TIP3 1163 83.786 55.512 -7.910 1.00 0.00 WT5 H ATOM 52747 OH2 TIP3 1168 24.128 14.598 6.347 1.00 0.00 WT5 O ATOM 52748 H1 TIP3 1168 23.501 14.370 7.034 1.00 0.00 WT5 H ATOM 52749 H2 TIP3 1168 24.967 14.672 6.802 1.00 0.00 WT5 H ATOM 52750 OH2 TIP3 1173 58.566 14.816 57.528 1.00 0.00 WT5 O ATOM 52751 H1 TIP3 1173 58.974 15.014 58.371 1.00 0.00 WT5 H ATOM 52752 H2 TIP3 1173 58.593 15.644 57.048 1.00 0.00 WT5 H ATOM 52753 OH2 TIP3 1182 86.921 36.292 0.742 1.00 0.00 WT5 O ATOM 52754 H1 TIP3 1182 87.382 35.617 0.243 1.00 0.00 WT5 H ATOM 52755 H2 TIP3 1182 87.593 36.944 0.942 1.00 0.00 WT5 H ATOM 52756 OH2 TIP3 1192 43.572 74.496 30.019 1.00 0.00 WT5 O ATOM 52757 H1 TIP3 1192 43.381 74.454 30.956 1.00 0.00 WT5 H ATOM 52758 H2 TIP3 1192 44.475 74.189 29.944 1.00 0.00 WT5 H ATOM 52759 OH2 TIP3 1194 66.875 41.508 58.332 1.00 0.00 WT5 O ATOM 52760 H1 TIP3 1194 67.194 40.644 58.071 1.00 0.00 WT5 H ATOM 52761 H2 TIP3 1194 66.243 41.745 57.653 1.00 0.00 WT5 H ATOM 52762 OH2 TIP3 1195 87.582 36.042 49.905 1.00 0.00 WT5 O ATOM 52763 H1 TIP3 1195 86.817 35.810 49.380 1.00 0.00 WT5 H ATOM 52764 H2 TIP3 1195 87.299 36.795 50.423 1.00 0.00 WT5 H ATOM 52765 OH2 TIP3 1204 66.781 18.543 -15.401 1.00 0.00 WT5 O ATOM 52766 H1 TIP3 1204 66.922 18.025 -14.609 1.00 0.00 WT5 H ATOM 52767 H2 TIP3 1204 67.408 19.263 -15.332 1.00 0.00 WT5 H ATOM 52768 OH2 TIP3 1207 37.915 62.487 30.830 1.00 0.00 WT5 O ATOM 52769 H1 TIP3 1207 38.648 62.977 31.201 1.00 0.00 WT5 H ATOM 52770 H2 TIP3 1207 38.082 61.578 31.079 1.00 0.00 WT5 H ATOM 52771 OH2 TIP3 1209 67.484 53.392 15.457 1.00 0.00 WT5 O ATOM 52772 H1 TIP3 1209 66.798 52.773 15.206 1.00 0.00 WT5 H ATOM 52773 H2 TIP3 1209 68.296 52.988 15.151 1.00 0.00 WT5 H ATOM 52774 OH2 TIP3 1213 31.675 34.283 65.566 1.00 0.00 WT5 O ATOM 52775 H1 TIP3 1213 31.262 34.855 64.919 1.00 0.00 WT5 H ATOM 52776 H2 TIP3 1213 31.638 34.779 66.384 1.00 0.00 WT5 H ATOM 52777 OH2 TIP3 1216 30.107 52.478 48.318 1.00 0.00 WT5 O ATOM 52778 H1 TIP3 1216 30.963 52.085 48.146 1.00 0.00 WT5 H ATOM 52779 H2 TIP3 1216 29.662 51.847 48.883 1.00 0.00 WT5 H ATOM 52780 OH2 TIP3 1217 87.552 75.175 42.764 1.00 0.00 WT5 O ATOM 52781 H1 TIP3 1217 87.357 74.557 43.469 1.00 0.00 WT5 H ATOM 52782 H2 TIP3 1217 88.502 75.290 42.803 1.00 0.00 WT5 H ATOM 52783 OH2 TIP3 1235 59.617 37.030 36.298 1.00 0.00 WT5 O ATOM 52784 H1 TIP3 1235 60.497 37.106 35.929 1.00 0.00 WT5 H ATOM 52785 H2 TIP3 1235 59.353 36.130 36.104 1.00 0.00 WT5 H ATOM 52786 OH2 TIP3 1240 52.306 61.947 1.099 1.00 0.00 WT5 O ATOM 52787 H1 TIP3 1240 53.070 61.463 1.413 1.00 0.00 WT5 H ATOM 52788 H2 TIP3 1240 52.276 62.731 1.648 1.00 0.00 WT5 H ATOM 52789 OH2 TIP3 1252 78.859 31.382 3.668 1.00 0.00 WT5 O ATOM 52790 H1 TIP3 1252 79.578 30.766 3.810 1.00 0.00 WT5 H ATOM 52791 H2 TIP3 1252 78.661 31.726 4.539 1.00 0.00 WT5 H ATOM 52792 OH2 TIP3 1253 57.605 20.354 -19.518 1.00 0.00 WT5 O ATOM 52793 H1 TIP3 1253 57.592 19.536 -19.020 1.00 0.00 WT5 H ATOM 52794 H2 TIP3 1253 56.838 20.835 -19.208 1.00 0.00 WT5 H ATOM 52795 OH2 TIP3 1258 39.424 46.075 13.462 1.00 0.00 WT5 O ATOM 52796 H1 TIP3 1258 40.071 45.762 12.830 1.00 0.00 WT5 H ATOM 52797 H2 TIP3 1258 39.890 46.735 13.976 1.00 0.00 WT5 H ATOM 52798 OH2 TIP3 1264 34.011 49.333 23.655 1.00 0.00 WT5 O ATOM 52799 H1 TIP3 1264 34.939 49.158 23.498 1.00 0.00 WT5 H ATOM 52800 H2 TIP3 1264 33.681 49.649 22.814 1.00 0.00 WT5 H ATOM 52801 OH2 TIP3 1269 77.919 11.883 2.537 1.00 0.00 WT5 O ATOM 52802 H1 TIP3 1269 77.423 11.130 2.857 1.00 0.00 WT5 H ATOM 52803 H2 TIP3 1269 78.428 12.174 3.293 1.00 0.00 WT5 H ATOM 52804 OH2 TIP3 1277 24.178 30.038 19.623 1.00 0.00 WT5 O ATOM 52805 H1 TIP3 1277 24.496 30.737 19.051 1.00 0.00 WT5 H ATOM 52806 H2 TIP3 1277 23.441 29.655 19.148 1.00 0.00 WT5 H ATOM 52807 OH2 TIP3 1278 37.478 49.124 4.049 1.00 0.00 WT5 O ATOM 52808 H1 TIP3 1278 37.933 49.805 4.544 1.00 0.00 WT5 H ATOM 52809 H2 TIP3 1278 38.070 48.372 4.075 1.00 0.00 WT5 H ATOM 52810 OH2 TIP3 1281 68.650 51.858 62.106 1.00 0.00 WT5 O ATOM 52811 H1 TIP3 1281 68.545 52.659 61.592 1.00 0.00 WT5 H ATOM 52812 H2 TIP3 1281 67.818 51.761 62.570 1.00 0.00 WT5 H ATOM 52813 OH2 TIP3 1285 30.104 61.432 -14.143 1.00 0.00 WT5 O ATOM 52814 H1 TIP3 1285 30.584 62.256 -14.057 1.00 0.00 WT5 H ATOM 52815 H2 TIP3 1285 30.644 60.791 -13.680 1.00 0.00 WT5 H ATOM 52816 OH2 TIP3 1287 29.259 87.193 6.883 1.00 0.00 WT5 O ATOM 52817 H1 TIP3 1287 29.511 87.805 7.575 1.00 0.00 WT5 H ATOM 52818 H2 TIP3 1287 29.469 87.652 6.069 1.00 0.00 WT5 H ATOM 52819 OH2 TIP3 1295 63.593 77.227 62.636 1.00 0.00 WT5 O ATOM 52820 H1 TIP3 1295 64.367 77.779 62.753 1.00 0.00 WT5 H ATOM 52821 H2 TIP3 1295 63.934 76.410 62.274 1.00 0.00 WT5 H ATOM 52822 OH2 TIP3 1298 56.311 10.795 35.199 1.00 0.00 WT5 O ATOM 52823 H1 TIP3 1298 57.021 10.212 35.466 1.00 0.00 WT5 H ATOM 52824 H2 TIP3 1298 56.465 11.602 35.691 1.00 0.00 WT5 H ATOM 52825 OH2 TIP3 1301 65.137 25.543 57.865 1.00 0.00 WT5 O ATOM 52826 H1 TIP3 1301 66.008 25.880 58.075 1.00 0.00 WT5 H ATOM 52827 H2 TIP3 1301 64.580 26.321 57.831 1.00 0.00 WT5 H ATOM 52828 OH2 TIP3 1303 35.330 61.566 27.230 1.00 0.00 WT5 O ATOM 52829 H1 TIP3 1303 36.227 61.456 26.916 1.00 0.00 WT5 H ATOM 52830 H2 TIP3 1303 35.395 62.231 27.915 1.00 0.00 WT5 H ATOM 52831 OH2 TIP3 1312 53.189 0.881 -2.124 1.00 0.00 WT5 O ATOM 52832 H1 TIP3 1312 52.956 1.261 -2.971 1.00 0.00 WT5 H ATOM 52833 H2 TIP3 1312 52.485 1.154 -1.536 1.00 0.00 WT5 H ATOM 52834 OH2 TIP3 1318 59.749 80.722 -12.503 1.00 0.00 WT5 O ATOM 52835 H1 TIP3 1318 59.130 81.092 -11.874 1.00 0.00 WT5 H ATOM 52836 H2 TIP3 1318 59.863 79.814 -12.222 1.00 0.00 WT5 H ATOM 52837 OH2 TIP3 1336 79.231 35.126 -12.527 1.00 0.00 WT5 O ATOM 52838 H1 TIP3 1336 79.862 35.661 -12.045 1.00 0.00 WT5 H ATOM 52839 H2 TIP3 1336 79.103 34.352 -11.977 1.00 0.00 WT5 H ATOM 52840 OH2 TIP3 1345 46.648 52.315 25.475 1.00 0.00 WT5 O ATOM 52841 H1 TIP3 1345 46.594 51.481 25.009 1.00 0.00 WT5 H ATOM 52842 H2 TIP3 1345 47.408 52.754 25.095 1.00 0.00 WT5 H ATOM 52843 OH2 TIP3 1354 78.857 84.494 -17.814 1.00 0.00 WT5 O ATOM 52844 H1 TIP3 1354 78.564 85.347 -18.133 1.00 0.00 WT5 H ATOM 52845 H2 TIP3 1354 79.810 84.570 -17.766 1.00 0.00 WT5 H ATOM 52846 OH2 TIP3 1366 59.244 30.922 49.679 1.00 0.00 WT5 O ATOM 52847 H1 TIP3 1366 58.311 30.969 49.887 1.00 0.00 WT5 H ATOM 52848 H2 TIP3 1366 59.677 30.871 50.531 1.00 0.00 WT5 H ATOM 52849 OH2 TIP3 1370 62.574 6.237 42.361 1.00 0.00 WT5 O ATOM 52850 H1 TIP3 1370 63.342 5.896 41.903 1.00 0.00 WT5 H ATOM 52851 H2 TIP3 1370 62.434 7.105 41.983 1.00 0.00 WT5 H ATOM 52852 OH2 TIP3 1373 78.489 64.686 8.860 1.00 0.00 WT5 O ATOM 52853 H1 TIP3 1373 77.990 64.088 9.416 1.00 0.00 WT5 H ATOM 52854 H2 TIP3 1373 79.059 64.114 8.345 1.00 0.00 WT5 H ATOM 52855 OH2 TIP3 1381 61.788 41.574 1.851 1.00 0.00 WT5 O ATOM 52856 H1 TIP3 1381 60.837 41.528 1.754 1.00 0.00 WT5 H ATOM 52857 H2 TIP3 1381 62.096 40.699 1.614 1.00 0.00 WT5 H ATOM 52858 OH2 TIP3 1382 86.202 61.035 -18.359 1.00 0.00 WT5 O ATOM 52859 H1 TIP3 1382 86.883 60.837 -19.003 1.00 0.00 WT5 H ATOM 52860 H2 TIP3 1382 86.510 61.828 -17.920 1.00 0.00 WT5 H ATOM 52861 OH2 TIP3 1383 90.112 81.433 58.926 1.00 0.00 WT5 O ATOM 52862 H1 TIP3 1383 89.760 80.605 58.601 1.00 0.00 WT5 H ATOM 52863 H2 TIP3 1383 90.815 81.178 59.523 1.00 0.00 WT5 H ATOM 52864 OH2 TIP3 1387 30.857 14.447 60.663 1.00 0.00 WT5 O ATOM 52865 H1 TIP3 1387 30.007 14.299 61.077 1.00 0.00 WT5 H ATOM 52866 H2 TIP3 1387 31.443 13.820 61.089 1.00 0.00 WT5 H ATOM 52867 OH2 TIP3 1395 85.245 38.173 34.369 1.00 0.00 WT5 O ATOM 52868 H1 TIP3 1395 85.267 38.779 35.109 1.00 0.00 WT5 H ATOM 52869 H2 TIP3 1395 86.013 38.403 33.847 1.00 0.00 WT5 H ATOM 52870 OH2 TIP3 1399 35.124 10.147 17.125 1.00 0.00 WT5 O ATOM 52871 H1 TIP3 1399 34.457 10.823 17.005 1.00 0.00 WT5 H ATOM 52872 H2 TIP3 1399 35.950 10.629 17.163 1.00 0.00 WT5 H ATOM 52873 OH2 TIP3 1401 72.612 20.240 -1.502 1.00 0.00 WT5 O ATOM 52874 H1 TIP3 1401 72.636 19.813 -0.646 1.00 0.00 WT5 H ATOM 52875 H2 TIP3 1401 72.725 21.171 -1.309 1.00 0.00 WT5 H ATOM 52876 OH2 TIP3 1408 54.162 54.168 -9.144 1.00 0.00 WT5 O ATOM 52877 H1 TIP3 1408 53.841 54.493 -8.303 1.00 0.00 WT5 H ATOM 52878 H2 TIP3 1408 53.967 54.870 -9.764 1.00 0.00 WT5 H ATOM 52879 OH2 TIP3 1409 37.566 83.872 19.698 1.00 0.00 WT5 O ATOM 52880 H1 TIP3 1409 37.675 83.052 19.217 1.00 0.00 WT5 H ATOM 52881 H2 TIP3 1409 38.163 84.484 19.267 1.00 0.00 WT5 H ATOM 52882 OH2 TIP3 1414 59.183 78.062 38.826 1.00 0.00 WT5 O ATOM 52883 H1 TIP3 1414 59.312 78.047 39.774 1.00 0.00 WT5 H ATOM 52884 H2 TIP3 1414 58.597 77.326 38.651 1.00 0.00 WT5 H ATOM 52885 OH2 TIP3 1429 32.088 65.015 24.147 1.00 0.00 WT5 O ATOM 52886 H1 TIP3 1429 32.835 64.634 23.686 1.00 0.00 WT5 H ATOM 52887 H2 TIP3 1429 32.470 65.439 24.915 1.00 0.00 WT5 H ATOM 52888 OH2 TIP3 1433 27.064 91.964 66.178 1.00 0.00 WT5 O ATOM 52889 H1 TIP3 1433 27.726 92.127 66.850 1.00 0.00 WT5 H ATOM 52890 H2 TIP3 1433 27.064 91.013 66.067 1.00 0.00 WT5 H ATOM 52891 OH2 TIP3 1436 88.362 87.940 57.815 1.00 0.00 WT5 O ATOM 52892 H1 TIP3 1436 89.009 87.768 57.131 1.00 0.00 WT5 H ATOM 52893 H2 TIP3 1436 87.662 88.417 57.368 1.00 0.00 WT5 H ATOM 52894 OH2 TIP3 1440 89.817 89.270 -10.698 1.00 0.00 WT5 O ATOM 52895 H1 TIP3 1440 89.996 88.361 -10.939 1.00 0.00 WT5 H ATOM 52896 H2 TIP3 1440 88.900 89.405 -10.938 1.00 0.00 WT5 H ATOM 52897 OH2 TIP3 1445 69.389 32.667 16.243 1.00 0.00 WT5 O ATOM 52898 H1 TIP3 1445 68.881 31.905 16.520 1.00 0.00 WT5 H ATOM 52899 H2 TIP3 1445 69.862 32.939 17.030 1.00 0.00 WT5 H ATOM 52900 OH2 TIP3 1447 76.634 40.327 33.420 1.00 0.00 WT5 O ATOM 52901 H1 TIP3 1447 75.748 40.665 33.552 1.00 0.00 WT5 H ATOM 52902 H2 TIP3 1447 77.013 40.901 32.755 1.00 0.00 WT5 H ATOM 52903 OH2 TIP3 1451 75.192 74.258 -4.327 1.00 0.00 WT5 O ATOM 52904 H1 TIP3 1451 75.615 74.954 -3.825 1.00 0.00 WT5 H ATOM 52905 H2 TIP3 1451 75.338 73.466 -3.810 1.00 0.00 WT5 H ATOM 52906 OH2 TIP3 1459 71.769 74.811 52.144 1.00 0.00 WT5 O ATOM 52907 H1 TIP3 1459 71.133 75.524 52.083 1.00 0.00 WT5 H ATOM 52908 H2 TIP3 1459 72.229 74.827 51.305 1.00 0.00 WT5 H ATOM 52909 OH2 TIP3 1466 22.025 71.685 49.229 1.00 0.00 WT5 O ATOM 52910 H1 TIP3 1466 21.134 71.439 49.476 1.00 0.00 WT5 H ATOM 52911 H2 TIP3 1466 21.952 71.965 48.316 1.00 0.00 WT5 H ATOM 52912 OH2 TIP3 1473 65.030 93.434 31.621 1.00 0.00 WT5 O ATOM 52913 H1 TIP3 1473 64.473 93.323 30.850 1.00 0.00 WT5 H ATOM 52914 H2 TIP3 1473 64.613 92.901 32.297 1.00 0.00 WT5 H ATOM 52915 OH2 TIP3 1476 86.575 61.204 -11.992 1.00 0.00 WT5 O ATOM 52916 H1 TIP3 1476 87.496 61.415 -11.836 1.00 0.00 WT5 H ATOM 52917 H2 TIP3 1476 86.393 61.557 -12.864 1.00 0.00 WT5 H ATOM 52918 OH2 TIP3 1477 24.379 65.420 10.090 1.00 0.00 WT5 O ATOM 52919 H1 TIP3 1477 25.026 66.057 9.787 1.00 0.00 WT5 H ATOM 52920 H2 TIP3 1477 24.651 65.206 10.982 1.00 0.00 WT5 H ATOM 52921 OH2 TIP3 1480 69.815 88.350 65.276 1.00 0.00 WT5 O ATOM 52922 H1 TIP3 1480 69.448 88.372 66.160 1.00 0.00 WT5 H ATOM 52923 H2 TIP3 1480 70.754 88.486 65.403 1.00 0.00 WT5 H ATOM 52924 OH2 TIP3 1483 31.487 33.892 11.973 1.00 0.00 WT5 O ATOM 52925 H1 TIP3 1483 32.307 33.797 11.487 1.00 0.00 WT5 H ATOM 52926 H2 TIP3 1483 31.760 34.130 12.859 1.00 0.00 WT5 H ATOM 52927 OH2 TIP3 1486 34.341 3.851 34.768 1.00 0.00 WT5 O ATOM 52928 H1 TIP3 1486 34.938 3.372 35.342 1.00 0.00 WT5 H ATOM 52929 H2 TIP3 1486 34.829 3.961 33.952 1.00 0.00 WT5 H ATOM 52930 OH2 TIP3 1492 43.981 48.813 45.445 1.00 0.00 WT5 O ATOM 52931 H1 TIP3 1492 43.539 48.059 45.056 1.00 0.00 WT5 H ATOM 52932 H2 TIP3 1492 44.393 49.258 44.705 1.00 0.00 WT5 H ATOM 52933 OH2 TIP3 1508 89.621 36.657 7.129 1.00 0.00 WT5 O ATOM 52934 H1 TIP3 1508 90.283 37.183 6.681 1.00 0.00 WT5 H ATOM 52935 H2 TIP3 1508 89.318 37.212 7.847 1.00 0.00 WT5 H ATOM 52936 OH2 TIP3 1509 33.168 33.402 58.763 1.00 0.00 WT5 O ATOM 52937 H1 TIP3 1509 32.367 33.805 58.428 1.00 0.00 WT5 H ATOM 52938 H2 TIP3 1509 32.959 33.168 59.667 1.00 0.00 WT5 H ATOM 52939 OH2 TIP3 1518 29.628 83.983 24.017 1.00 0.00 WT5 O ATOM 52940 H1 TIP3 1518 30.539 84.042 24.306 1.00 0.00 WT5 H ATOM 52941 H2 TIP3 1518 29.682 83.663 23.117 1.00 0.00 WT5 H ATOM 52942 OH2 TIP3 1524 58.003 18.197 35.569 1.00 0.00 WT5 O ATOM 52943 H1 TIP3 1524 57.306 18.425 34.954 1.00 0.00 WT5 H ATOM 52944 H2 TIP3 1524 57.923 18.840 36.273 1.00 0.00 WT5 H ATOM 52945 OH2 TIP3 1527 30.620 54.676 -3.362 1.00 0.00 WT5 O ATOM 52946 H1 TIP3 1527 30.905 53.781 -3.176 1.00 0.00 WT5 H ATOM 52947 H2 TIP3 1527 30.830 55.165 -2.566 1.00 0.00 WT5 H ATOM 52948 OH2 TIP3 1546 76.542 57.582 58.017 1.00 0.00 WT5 O ATOM 52949 H1 TIP3 1546 76.940 56.714 57.959 1.00 0.00 WT5 H ATOM 52950 H2 TIP3 1546 76.584 57.926 57.124 1.00 0.00 WT5 H ATOM 52951 OH2 TIP3 1557 22.625 0.418 7.325 1.00 0.00 WT5 O ATOM 52952 H1 TIP3 1557 23.214 0.909 6.752 1.00 0.00 WT5 H ATOM 52953 H2 TIP3 1557 22.133 1.090 7.797 1.00 0.00 WT5 H ATOM 52954 OH2 TIP3 1573 56.555 72.256 -12.140 1.00 0.00 WT5 O ATOM 52955 H1 TIP3 1573 56.253 72.047 -11.256 1.00 0.00 WT5 H ATOM 52956 H2 TIP3 1573 57.509 72.215 -12.084 1.00 0.00 WT5 H ATOM 52957 OH2 TIP3 1574 84.634 87.707 23.262 1.00 0.00 WT5 O ATOM 52958 H1 TIP3 1574 84.023 88.444 23.272 1.00 0.00 WT5 H ATOM 52959 H2 TIP3 1574 85.207 87.880 22.515 1.00 0.00 WT5 H ATOM 52960 OH2 TIP3 1589 43.710 6.958 42.785 1.00 0.00 WT5 O ATOM 52961 H1 TIP3 1589 44.083 7.838 42.733 1.00 0.00 WT5 H ATOM 52962 H2 TIP3 1589 44.101 6.579 43.572 1.00 0.00 WT5 H ATOM 52963 OH2 TIP3 1592 73.823 42.084 4.703 1.00 0.00 WT5 O ATOM 52964 H1 TIP3 1592 73.287 41.411 4.284 1.00 0.00 WT5 H ATOM 52965 H2 TIP3 1592 73.424 42.207 5.564 1.00 0.00 WT5 H ATOM 52966 OH2 TIP3 1599 67.022 23.943 -5.885 1.00 0.00 WT5 O ATOM 52967 H1 TIP3 1599 67.204 24.610 -5.222 1.00 0.00 WT5 H ATOM 52968 H2 TIP3 1599 67.746 24.020 -6.507 1.00 0.00 WT5 H ATOM 52969 OH2 TIP3 1600 88.838 62.782 24.761 1.00 0.00 WT5 O ATOM 52970 H1 TIP3 1600 87.978 62.447 24.508 1.00 0.00 WT5 H ATOM 52971 H2 TIP3 1600 89.460 62.227 24.290 1.00 0.00 WT5 H ATOM 52972 OH2 TIP3 1612 64.834 44.399 38.934 1.00 0.00 WT5 O ATOM 52973 H1 TIP3 1612 65.567 44.550 38.337 1.00 0.00 WT5 H ATOM 52974 H2 TIP3 1612 64.299 43.739 38.494 1.00 0.00 WT5 H ATOM 52975 OH2 TIP3 1613 71.392 52.978 -17.490 1.00 0.00 WT5 O ATOM 52976 H1 TIP3 1613 71.372 53.929 -17.384 1.00 0.00 WT5 H ATOM 52977 H2 TIP3 1613 71.039 52.638 -16.668 1.00 0.00 WT5 H ATOM 52978 OH2 TIP3 1615 77.915 68.896 24.876 1.00 0.00 WT5 O ATOM 52979 H1 TIP3 1615 78.620 69.270 24.348 1.00 0.00 WT5 H ATOM 52980 H2 TIP3 1615 77.166 69.470 24.716 1.00 0.00 WT5 H ATOM 52981 OH2 TIP3 1618 82.399 36.892 60.815 1.00 0.00 WT5 O ATOM 52982 H1 TIP3 1618 81.958 37.651 61.197 1.00 0.00 WT5 H ATOM 52983 H2 TIP3 1618 83.253 37.224 60.539 1.00 0.00 WT5 H ATOM 52984 OH2 TIP3 1624 81.953 34.517 53.726 1.00 0.00 WT5 O ATOM 52985 H1 TIP3 1624 81.877 34.822 54.631 1.00 0.00 WT5 H ATOM 52986 H2 TIP3 1624 82.436 35.211 53.279 1.00 0.00 WT5 H ATOM 52987 OH2 TIP3 1625 90.673 70.121 62.593 1.00 0.00 WT5 O ATOM 52988 H1 TIP3 1625 90.354 70.143 61.691 1.00 0.00 WT5 H ATOM 52989 H2 TIP3 1625 90.107 69.487 63.033 1.00 0.00 WT5 H ATOM 52990 OH2 TIP3 1627 23.267 66.531 42.593 1.00 0.00 WT5 O ATOM 52991 H1 TIP3 1627 24.197 66.317 42.521 1.00 0.00 WT5 H ATOM 52992 H2 TIP3 1627 23.092 66.529 43.534 1.00 0.00 WT5 H ATOM 52993 OH2 TIP3 1629 54.838 1.265 64.186 1.00 0.00 WT5 O ATOM 52994 H1 TIP3 1629 54.573 0.347 64.242 1.00 0.00 WT5 H ATOM 52995 H2 TIP3 1629 55.760 1.265 64.442 1.00 0.00 WT5 H ATOM 52996 OH2 TIP3 1631 34.384 81.916 25.036 1.00 0.00 WT5 O ATOM 52997 H1 TIP3 1631 35.054 81.391 24.598 1.00 0.00 WT5 H ATOM 52998 H2 TIP3 1631 33.967 82.410 24.330 1.00 0.00 WT5 H ATOM 52999 OH2 TIP3 1636 32.724 32.252 29.993 1.00 0.00 WT5 O ATOM 53000 H1 TIP3 1636 33.669 32.406 29.973 1.00 0.00 WT5 H ATOM 53001 H2 TIP3 1636 32.361 32.914 29.405 1.00 0.00 WT5 H ATOM 53002 OH2 TIP3 1642 69.838 47.782 10.347 1.00 0.00 WT5 O ATOM 53003 H1 TIP3 1642 69.364 48.195 11.069 1.00 0.00 WT5 H ATOM 53004 H2 TIP3 1642 69.221 47.144 9.989 1.00 0.00 WT5 H ATOM 53005 OH2 TIP3 1648 49.251 43.020 2.076 1.00 0.00 WT5 O ATOM 53006 H1 TIP3 1648 49.866 43.653 2.446 1.00 0.00 WT5 H ATOM 53007 H2 TIP3 1648 49.496 42.186 2.476 1.00 0.00 WT5 H ATOM 53008 OH2 TIP3 1651 78.329 65.737 -18.599 1.00 0.00 WT5 O ATOM 53009 H1 TIP3 1651 78.314 65.194 -17.811 1.00 0.00 WT5 H ATOM 53010 H2 TIP3 1651 77.900 65.203 -19.268 1.00 0.00 WT5 H ATOM 53011 OH2 TIP3 1656 82.748 47.908 37.772 1.00 0.00 WT5 O ATOM 53012 H1 TIP3 1656 82.897 48.547 37.076 1.00 0.00 WT5 H ATOM 53013 H2 TIP3 1656 82.350 47.158 37.329 1.00 0.00 WT5 H ATOM 53014 OH2 TIP3 1664 47.673 86.529 -5.122 1.00 0.00 WT5 O ATOM 53015 H1 TIP3 1664 46.784 86.884 -5.147 1.00 0.00 WT5 H ATOM 53016 H2 TIP3 1664 47.731 86.087 -4.275 1.00 0.00 WT5 H ATOM 53017 OH2 TIP3 1678 62.636 50.111 31.681 1.00 0.00 WT5 O ATOM 53018 H1 TIP3 1678 61.679 50.097 31.702 1.00 0.00 WT5 H ATOM 53019 H2 TIP3 1678 62.852 50.784 31.036 1.00 0.00 WT5 H ATOM 53020 OH2 TIP3 1691 37.155 48.187 44.895 1.00 0.00 WT5 O ATOM 53021 H1 TIP3 1691 37.833 48.552 44.326 1.00 0.00 WT5 H ATOM 53022 H2 TIP3 1691 36.812 48.942 45.374 1.00 0.00 WT5 H ATOM 53023 OH2 TIP3 1697 42.096 42.346 23.053 1.00 0.00 WT5 O ATOM 53024 H1 TIP3 1697 42.436 42.736 23.859 1.00 0.00 WT5 H ATOM 53025 H2 TIP3 1697 42.869 42.220 22.503 1.00 0.00 WT5 H ATOM 53026 OH2 TIP3 1698 72.523 67.988 3.882 1.00 0.00 WT5 O ATOM 53027 H1 TIP3 1698 72.203 67.848 4.773 1.00 0.00 WT5 H ATOM 53028 H2 TIP3 1698 72.567 68.940 3.790 1.00 0.00 WT5 H ATOM 53029 OH2 TIP3 1706 30.700 6.962 9.970 1.00 0.00 WT5 O ATOM 53030 H1 TIP3 1706 31.045 7.688 9.451 1.00 0.00 WT5 H ATOM 53031 H2 TIP3 1706 30.110 7.376 10.600 1.00 0.00 WT5 H ATOM 53032 OH2 TIP3 1725 51.741 86.980 5.152 1.00 0.00 WT5 O ATOM 53033 H1 TIP3 1725 51.202 87.598 5.646 1.00 0.00 WT5 H ATOM 53034 H2 TIP3 1725 51.211 86.759 4.386 1.00 0.00 WT5 H ATOM 53035 OH2 TIP3 1737 78.590 77.434 63.964 1.00 0.00 WT5 O ATOM 53036 H1 TIP3 1737 79.502 77.470 63.676 1.00 0.00 WT5 H ATOM 53037 H2 TIP3 1737 78.615 77.711 64.880 1.00 0.00 WT5 H ATOM 53038 OH2 TIP3 1751 25.565 59.985 56.734 1.00 0.00 WT5 O ATOM 53039 H1 TIP3 1751 25.339 60.753 57.259 1.00 0.00 WT5 H ATOM 53040 H2 TIP3 1751 25.519 60.291 55.829 1.00 0.00 WT5 H ATOM 53041 OH2 TIP3 1754 69.146 52.381 -4.027 1.00 0.00 WT5 O ATOM 53042 H1 TIP3 1754 69.353 53.179 -4.514 1.00 0.00 WT5 H ATOM 53043 H2 TIP3 1754 68.563 52.672 -3.326 1.00 0.00 WT5 H ATOM 53044 OH2 TIP3 1758 31.110 47.129 49.777 1.00 0.00 WT5 O ATOM 53045 H1 TIP3 1758 31.915 47.141 50.295 1.00 0.00 WT5 H ATOM 53046 H2 TIP3 1758 31.206 47.863 49.169 1.00 0.00 WT5 H ATOM 53047 OH2 TIP3 1763 86.659 83.168 -19.087 1.00 0.00 WT5 O ATOM 53048 H1 TIP3 1763 86.755 83.291 -18.143 1.00 0.00 WT5 H ATOM 53049 H2 TIP3 1763 87.548 83.006 -19.400 1.00 0.00 WT5 H ATOM 53050 OH2 TIP3 1769 38.626 15.323 -16.515 1.00 0.00 WT5 O ATOM 53051 H1 TIP3 1769 38.492 14.890 -17.358 1.00 0.00 WT5 H ATOM 53052 H2 TIP3 1769 39.533 15.628 -16.544 1.00 0.00 WT5 H ATOM 53053 OH2 TIP3 1771 81.703 63.077 50.457 1.00 0.00 WT5 O ATOM 53054 H1 TIP3 1771 80.854 62.943 50.035 1.00 0.00 WT5 H ATOM 53055 H2 TIP3 1771 82.322 63.158 49.731 1.00 0.00 WT5 H ATOM 53056 OH2 TIP3 1775 24.572 10.528 48.687 1.00 0.00 WT5 O ATOM 53057 H1 TIP3 1775 24.768 10.945 47.849 1.00 0.00 WT5 H ATOM 53058 H2 TIP3 1775 24.234 11.237 49.235 1.00 0.00 WT5 H ATOM 53059 OH2 TIP3 1777 69.677 45.671 6.980 1.00 0.00 WT5 O ATOM 53060 H1 TIP3 1777 68.961 45.090 7.238 1.00 0.00 WT5 H ATOM 53061 H2 TIP3 1777 70.366 45.504 7.623 1.00 0.00 WT5 H ATOM 53062 OH2 TIP3 1778 71.057 30.933 2.926 1.00 0.00 WT5 O ATOM 53063 H1 TIP3 1778 71.203 30.704 3.844 1.00 0.00 WT5 H ATOM 53064 H2 TIP3 1778 71.321 30.153 2.439 1.00 0.00 WT5 H ATOM 53065 OH2 TIP3 1779 29.320 96.306 21.309 1.00 0.00 WT5 O ATOM 53066 H1 TIP3 1779 28.399 96.158 21.096 1.00 0.00 WT5 H ATOM 53067 H2 TIP3 1779 29.569 97.065 20.782 1.00 0.00 WT5 H ATOM 53068 OH2 TIP3 1783 34.305 94.362 20.984 1.00 0.00 WT5 O ATOM 53069 H1 TIP3 1783 33.401 94.434 20.678 1.00 0.00 WT5 H ATOM 53070 H2 TIP3 1783 34.831 94.383 20.185 1.00 0.00 WT5 H ATOM 53071 OH2 TIP3 1803 41.385 42.808 13.755 1.00 0.00 WT5 O ATOM 53072 H1 TIP3 1803 42.220 42.382 13.948 1.00 0.00 WT5 H ATOM 53073 H2 TIP3 1803 41.223 43.373 14.511 1.00 0.00 WT5 H ATOM 53074 OH2 TIP3 1812 35.948 76.840 64.944 1.00 0.00 WT5 O ATOM 53075 H1 TIP3 1812 36.902 76.830 64.871 1.00 0.00 WT5 H ATOM 53076 H2 TIP3 1812 35.657 76.109 64.399 1.00 0.00 WT5 H ATOM 53077 OH2 TIP3 1849 57.519 94.771 45.088 1.00 0.00 WT5 O ATOM 53078 H1 TIP3 1849 56.929 95.095 44.407 1.00 0.00 WT5 H ATOM 53079 H2 TIP3 1849 58.389 95.053 44.806 1.00 0.00 WT5 H ATOM 53080 OH2 TIP3 1853 64.601 31.862 -15.210 1.00 0.00 WT5 O ATOM 53081 H1 TIP3 1853 64.387 32.091 -14.306 1.00 0.00 WT5 H ATOM 53082 H2 TIP3 1853 65.498 31.531 -15.168 1.00 0.00 WT5 H ATOM 53083 OH2 TIP3 1858 73.798 86.142 -10.135 1.00 0.00 WT5 O ATOM 53084 H1 TIP3 1858 72.975 86.465 -9.767 1.00 0.00 WT5 H ATOM 53085 H2 TIP3 1858 74.441 86.275 -9.438 1.00 0.00 WT5 H ATOM 53086 OH2 TIP3 1859 20.425 26.363 30.203 1.00 0.00 WT5 O ATOM 53087 H1 TIP3 1859 19.914 27.169 30.136 1.00 0.00 WT5 H ATOM 53088 H2 TIP3 1859 20.995 26.375 29.434 1.00 0.00 WT5 H ATOM 53089 OH2 TIP3 1864 36.342 34.851 32.458 1.00 0.00 WT5 O ATOM 53090 H1 TIP3 1864 37.019 34.929 31.786 1.00 0.00 WT5 H ATOM 53091 H2 TIP3 1864 36.265 35.732 32.825 1.00 0.00 WT5 H ATOM 53092 OH2 TIP3 1879 42.275 37.311 21.231 1.00 0.00 WT5 O ATOM 53093 H1 TIP3 1879 42.226 36.815 22.049 1.00 0.00 WT5 H ATOM 53094 H2 TIP3 1879 42.759 36.741 20.634 1.00 0.00 WT5 H ATOM 53095 OH2 TIP3 1880 31.701 16.615 39.329 1.00 0.00 WT5 O ATOM 53096 H1 TIP3 1880 31.372 15.820 39.750 1.00 0.00 WT5 H ATOM 53097 H2 TIP3 1880 32.475 16.854 39.838 1.00 0.00 WT5 H ATOM 53098 OH2 TIP3 1882 89.393 7.656 62.084 1.00 0.00 WT5 O ATOM 53099 H1 TIP3 1882 89.888 7.296 61.348 1.00 0.00 WT5 H ATOM 53100 H2 TIP3 1882 90.057 8.046 62.652 1.00 0.00 WT5 H ATOM 53101 OH2 TIP3 1892 71.629 54.014 52.321 1.00 0.00 WT5 O ATOM 53102 H1 TIP3 1892 70.966 53.429 51.955 1.00 0.00 WT5 H ATOM 53103 H2 TIP3 1892 71.524 53.933 53.269 1.00 0.00 WT5 H ATOM 53104 OH2 TIP3 1897 44.602 9.113 3.471 1.00 0.00 WT5 O ATOM 53105 H1 TIP3 1897 43.780 8.625 3.414 1.00 0.00 WT5 H ATOM 53106 H2 TIP3 1897 45.092 8.676 4.168 1.00 0.00 WT5 H ATOM 53107 OH2 TIP3 1898 34.743 22.540 34.747 1.00 0.00 WT5 O ATOM 53108 H1 TIP3 1898 34.362 22.297 33.903 1.00 0.00 WT5 H ATOM 53109 H2 TIP3 1898 34.712 23.496 34.759 1.00 0.00 WT5 H ATOM 53110 OH2 TIP3 1925 67.796 96.163 -8.560 1.00 0.00 WT5 O ATOM 53111 H1 TIP3 1925 66.943 96.503 -8.290 1.00 0.00 WT5 H ATOM 53112 H2 TIP3 1925 68.391 96.420 -7.856 1.00 0.00 WT5 H ATOM 53113 OH2 TIP3 1939 75.432 47.162 55.922 1.00 0.00 WT5 O ATOM 53114 H1 TIP3 1939 76.201 47.347 56.460 1.00 0.00 WT5 H ATOM 53115 H2 TIP3 1939 75.580 47.652 55.114 1.00 0.00 WT5 H ATOM 53116 OH2 TIP3 1949 25.440 20.481 55.760 1.00 0.00 WT5 O ATOM 53117 H1 TIP3 1949 26.134 20.241 55.146 1.00 0.00 WT5 H ATOM 53118 H2 TIP3 1949 24.677 19.982 55.467 1.00 0.00 WT5 H ATOM 53119 OH2 TIP3 1960 75.250 15.737 45.440 1.00 0.00 WT5 O ATOM 53120 H1 TIP3 1960 74.862 15.346 46.223 1.00 0.00 WT5 H ATOM 53121 H2 TIP3 1960 75.295 15.018 44.810 1.00 0.00 WT5 H ATOM 53122 OH2 TIP3 1965 48.517 22.557 21.039 1.00 0.00 WT5 O ATOM 53123 H1 TIP3 1965 49.015 23.360 21.195 1.00 0.00 WT5 H ATOM 53124 H2 TIP3 1965 47.647 22.861 20.779 1.00 0.00 WT5 H ATOM 53125 OH2 TIP3 1978 77.716 37.362 -15.662 1.00 0.00 WT5 O ATOM 53126 H1 TIP3 1978 78.400 36.703 -15.537 1.00 0.00 WT5 H ATOM 53127 H2 TIP3 1978 78.186 38.196 -15.677 1.00 0.00 WT5 H ATOM 53128 OH2 TIP3 1990 87.518 43.471 36.366 1.00 0.00 WT5 O ATOM 53129 H1 TIP3 1990 88.460 43.568 36.231 1.00 0.00 WT5 H ATOM 53130 H2 TIP3 1990 87.251 44.286 36.792 1.00 0.00 WT5 H ATOM 53131 OH2 TIP3 1994 35.845 52.072 36.701 1.00 0.00 WT5 O ATOM 53132 H1 TIP3 1994 35.984 52.539 35.878 1.00 0.00 WT5 H ATOM 53133 H2 TIP3 1994 36.402 52.527 37.332 1.00 0.00 WT5 H ATOM 53134 OH2 TIP3 2000 42.143 95.179 44.331 1.00 0.00 WT5 O ATOM 53135 H1 TIP3 2000 42.758 94.446 44.343 1.00 0.00 WT5 H ATOM 53136 H2 TIP3 2000 41.987 95.346 43.401 1.00 0.00 WT5 H ATOM 53137 OH2 TIP3 2017 74.993 64.707 -11.426 1.00 0.00 WT5 O ATOM 53138 H1 TIP3 2017 74.444 65.128 -12.087 1.00 0.00 WT5 H ATOM 53139 H2 TIP3 2017 74.373 64.281 -10.835 1.00 0.00 WT5 H ATOM 53140 OH2 TIP3 2022 87.453 81.107 46.278 1.00 0.00 WT5 O ATOM 53141 H1 TIP3 2022 87.837 80.231 46.300 1.00 0.00 WT5 H ATOM 53142 H2 TIP3 2022 87.399 81.323 45.347 1.00 0.00 WT5 H ATOM 53143 OH2 TIP3 2025 59.430 95.594 22.404 1.00 0.00 WT5 O ATOM 53144 H1 TIP3 2025 59.600 96.467 22.050 1.00 0.00 WT5 H ATOM 53145 H2 TIP3 2025 58.622 95.692 22.908 1.00 0.00 WT5 H ATOM 53146 OH2 TIP3 2053 38.320 17.712 16.302 1.00 0.00 WT5 O ATOM 53147 H1 TIP3 2053 38.807 18.128 17.013 1.00 0.00 WT5 H ATOM 53148 H2 TIP3 2053 38.993 17.448 15.673 1.00 0.00 WT5 H ATOM 53149 OH2 TIP3 2056 66.915 92.681 46.645 1.00 0.00 WT5 O ATOM 53150 H1 TIP3 2056 66.390 92.392 45.899 1.00 0.00 WT5 H ATOM 53151 H2 TIP3 2056 66.906 93.636 46.590 1.00 0.00 WT5 H ATOM 53152 OH2 TIP3 2058 81.513 65.114 5.810 1.00 0.00 WT5 O ATOM 53153 H1 TIP3 2058 81.809 65.354 4.932 1.00 0.00 WT5 H ATOM 53154 H2 TIP3 2058 80.564 65.025 5.728 1.00 0.00 WT5 H ATOM 53155 OH2 TIP3 2080 88.558 19.068 38.956 1.00 0.00 WT5 O ATOM 53156 H1 TIP3 2080 87.998 19.796 39.226 1.00 0.00 WT5 H ATOM 53157 H2 TIP3 2080 89.417 19.278 39.324 1.00 0.00 WT5 H ATOM 53158 OH2 TIP3 2083 89.438 88.937 20.665 1.00 0.00 WT5 O ATOM 53159 H1 TIP3 2083 89.047 89.717 20.270 1.00 0.00 WT5 H ATOM 53160 H2 TIP3 2083 89.087 88.917 21.555 1.00 0.00 WT5 H ATOM 53161 OH2 TIP3 2085 46.946 19.999 49.833 1.00 0.00 WT5 O ATOM 53162 H1 TIP3 2085 46.292 20.697 49.806 1.00 0.00 WT5 H ATOM 53163 H2 TIP3 2085 46.620 19.389 50.495 1.00 0.00 WT5 H ATOM 53164 OH2 TIP3 2108 55.279 44.683 45.203 1.00 0.00 WT5 O ATOM 53165 H1 TIP3 2108 54.629 44.949 44.553 1.00 0.00 WT5 H ATOM 53166 H2 TIP3 2108 56.092 45.097 44.912 1.00 0.00 WT5 H ATOM 53167 OH2 TIP3 2127 57.831 95.022 -3.195 1.00 0.00 WT5 O ATOM 53168 H1 TIP3 2127 57.599 95.346 -4.064 1.00 0.00 WT5 H ATOM 53169 H2 TIP3 2127 57.240 95.483 -2.600 1.00 0.00 WT5 H ATOM 53170 OH2 TIP3 2132 59.060 35.248 41.474 1.00 0.00 WT5 O ATOM 53171 H1 TIP3 2132 58.796 34.337 41.598 1.00 0.00 WT5 H ATOM 53172 H2 TIP3 2132 59.944 35.195 41.113 1.00 0.00 WT5 H ATOM 53173 OH2 TIP3 2150 46.244 40.364 20.971 1.00 0.00 WT5 O ATOM 53174 H1 TIP3 2150 46.803 40.963 20.476 1.00 0.00 WT5 H ATOM 53175 H2 TIP3 2150 46.680 39.515 20.899 1.00 0.00 WT5 H ATOM 53176 OH2 TIP3 2156 47.852 63.520 52.278 1.00 0.00 WT5 O ATOM 53177 H1 TIP3 2156 47.427 63.912 51.515 1.00 0.00 WT5 H ATOM 53178 H2 TIP3 2156 48.266 62.725 51.940 1.00 0.00 WT5 H ATOM 53179 OH2 TIP3 2160 60.267 77.358 33.957 1.00 0.00 WT5 O ATOM 53180 H1 TIP3 2160 60.787 77.164 34.737 1.00 0.00 WT5 H ATOM 53181 H2 TIP3 2160 60.231 76.529 33.480 1.00 0.00 WT5 H ATOM 53182 OH2 TIP3 2171 55.520 86.002 9.614 1.00 0.00 WT5 O ATOM 53183 H1 TIP3 2171 56.324 85.636 9.246 1.00 0.00 WT5 H ATOM 53184 H2 TIP3 2171 54.857 85.852 8.940 1.00 0.00 WT5 H ATOM 53185 OH2 TIP3 2173 47.358 46.533 33.613 1.00 0.00 WT5 O ATOM 53186 H1 TIP3 2173 47.202 45.634 33.900 1.00 0.00 WT5 H ATOM 53187 H2 TIP3 2173 48.310 46.626 33.622 1.00 0.00 WT5 H ATOM 53188 OH2 TIP3 2179 71.591 51.705 41.238 1.00 0.00 WT5 O ATOM 53189 H1 TIP3 2179 71.381 50.791 41.432 1.00 0.00 WT5 H ATOM 53190 H2 TIP3 2179 71.246 52.194 41.984 1.00 0.00 WT5 H ATOM 53191 OH2 TIP3 2183 69.753 80.520 49.934 1.00 0.00 WT5 O ATOM 53192 H1 TIP3 2183 69.062 79.858 49.954 1.00 0.00 WT5 H ATOM 53193 H2 TIP3 2183 70.456 80.117 49.424 1.00 0.00 WT5 H ATOM 53194 OH2 TIP3 2190 61.753 54.181 0.690 1.00 0.00 WT5 O ATOM 53195 H1 TIP3 2190 61.921 55.093 0.928 1.00 0.00 WT5 H ATOM 53196 H2 TIP3 2190 61.245 53.832 1.422 1.00 0.00 WT5 H ATOM 53197 OH2 TIP3 2231 31.540 74.507 -0.304 1.00 0.00 WT5 O ATOM 53198 H1 TIP3 2231 32.479 74.679 -0.239 1.00 0.00 WT5 H ATOM 53199 H2 TIP3 2231 31.465 73.555 -0.232 1.00 0.00 WT5 H ATOM 53200 OH2 TIP3 2236 27.329 23.210 24.640 1.00 0.00 WT5 O ATOM 53201 H1 TIP3 2236 27.677 23.969 25.107 1.00 0.00 WT5 H ATOM 53202 H2 TIP3 2236 27.817 22.466 24.993 1.00 0.00 WT5 H ATOM 53203 OH2 TIP3 2268 87.068 50.833 -16.984 1.00 0.00 WT5 O ATOM 53204 H1 TIP3 2268 86.169 51.078 -16.763 1.00 0.00 WT5 H ATOM 53205 H2 TIP3 2268 87.600 51.566 -16.672 1.00 0.00 WT5 H ATOM 53206 OH2 TIP3 2270 84.399 96.212 -20.023 1.00 0.00 WT5 O ATOM 53207 H1 TIP3 2270 84.752 95.962 -19.169 1.00 0.00 WT5 H ATOM 53208 H2 TIP3 2270 83.640 96.759 -19.817 1.00 0.00 WT5 H ATOM 53209 OH2 TIP3 2282 31.167 75.926 48.574 1.00 0.00 WT5 O ATOM 53210 H1 TIP3 2282 32.064 75.906 48.239 1.00 0.00 WT5 H ATOM 53211 H2 TIP3 2282 30.684 76.451 47.936 1.00 0.00 WT5 H ATOM 53212 OH2 TIP3 2288 85.464 74.887 19.078 1.00 0.00 WT5 O ATOM 53213 H1 TIP3 2288 85.235 75.636 19.628 1.00 0.00 WT5 H ATOM 53214 H2 TIP3 2288 84.930 74.996 18.291 1.00 0.00 WT5 H ATOM 53215 OH2 TIP3 2290 65.875 23.292 20.596 1.00 0.00 WT5 O ATOM 53216 H1 TIP3 2290 65.273 22.828 21.177 1.00 0.00 WT5 H ATOM 53217 H2 TIP3 2290 66.138 24.067 21.093 1.00 0.00 WT5 H ATOM 53218 OH2 TIP3 2293 83.901 3.818 56.762 1.00 0.00 WT5 O ATOM 53219 H1 TIP3 2293 83.441 4.603 57.062 1.00 0.00 WT5 H ATOM 53220 H2 TIP3 2293 84.829 4.035 56.853 1.00 0.00 WT5 H ATOM 53221 OH2 TIP3 2317 33.842 51.174 -15.934 1.00 0.00 WT5 O ATOM 53222 H1 TIP3 2317 34.255 52.028 -15.808 1.00 0.00 WT5 H ATOM 53223 H2 TIP3 2317 32.971 51.269 -15.547 1.00 0.00 WT5 H ATOM 53224 OH2 TIP3 2323 33.637 31.357 -17.990 1.00 0.00 WT5 O ATOM 53225 H1 TIP3 2323 34.537 31.367 -17.664 1.00 0.00 WT5 H ATOM 53226 H2 TIP3 2323 33.577 30.555 -18.508 1.00 0.00 WT5 H ATOM 53227 OH2 TIP3 2324 32.265 48.546 61.846 1.00 0.00 WT5 O ATOM 53228 H1 TIP3 2324 33.165 48.848 61.970 1.00 0.00 WT5 H ATOM 53229 H2 TIP3 2324 31.781 49.332 61.592 1.00 0.00 WT5 H ATOM 53230 OH2 TIP3 2327 30.897 11.015 34.952 1.00 0.00 WT5 O ATOM 53231 H1 TIP3 2327 31.111 10.188 34.521 1.00 0.00 WT5 H ATOM 53232 H2 TIP3 2327 30.936 11.668 34.253 1.00 0.00 WT5 H ATOM 53233 OH2 TIP3 2357 75.191 90.005 -5.309 1.00 0.00 WT5 O ATOM 53234 H1 TIP3 2357 75.038 90.855 -4.896 1.00 0.00 WT5 H ATOM 53235 H2 TIP3 2357 74.520 89.944 -5.989 1.00 0.00 WT5 H ATOM 53236 OH2 TIP3 2358 65.926 14.424 0.822 1.00 0.00 WT5 O ATOM 53237 H1 TIP3 2358 66.529 14.542 1.556 1.00 0.00 WT5 H ATOM 53238 H2 TIP3 2358 66.208 13.609 0.408 1.00 0.00 WT5 H ATOM 53239 OH2 TIP3 2372 29.188 0.154 37.550 1.00 0.00 WT5 O ATOM 53240 H1 TIP3 2372 29.380 0.840 36.911 1.00 0.00 WT5 H ATOM 53241 H2 TIP3 2372 28.991 0.627 38.358 1.00 0.00 WT5 H ATOM 53242 OH2 TIP3 2408 59.255 47.675 33.945 1.00 0.00 WT5 O ATOM 53243 H1 TIP3 2408 59.526 47.497 33.044 1.00 0.00 WT5 H ATOM 53244 H2 TIP3 2408 58.561 48.328 33.862 1.00 0.00 WT5 H ATOM 53245 OH2 TIP3 2410 33.243 26.051 9.583 1.00 0.00 WT5 O ATOM 53246 H1 TIP3 2410 34.005 25.497 9.749 1.00 0.00 WT5 H ATOM 53247 H2 TIP3 2410 33.609 26.873 9.257 1.00 0.00 WT5 H ATOM 53248 OH2 TIP3 2411 75.347 9.918 -1.419 1.00 0.00 WT5 O ATOM 53249 H1 TIP3 2411 75.431 9.144 -0.863 1.00 0.00 WT5 H ATOM 53250 H2 TIP3 2411 75.732 10.627 -0.904 1.00 0.00 WT5 H ATOM 53251 OH2 TIP3 2462 55.608 33.382 62.756 1.00 0.00 WT5 O ATOM 53252 H1 TIP3 2462 56.392 33.743 62.341 1.00 0.00 WT5 H ATOM 53253 H2 TIP3 2462 55.439 32.568 62.281 1.00 0.00 WT5 H ATOM 53254 OH2 TIP3 2468 39.988 47.444 1.834 1.00 0.00 WT5 O ATOM 53255 H1 TIP3 2468 39.195 47.848 1.481 1.00 0.00 WT5 H ATOM 53256 H2 TIP3 2468 39.777 47.262 2.750 1.00 0.00 WT5 H ATOM 53257 OH2 TIP3 2471 70.564 12.782 11.973 1.00 0.00 WT5 O ATOM 53258 H1 TIP3 2471 70.554 13.734 11.873 1.00 0.00 WT5 H ATOM 53259 H2 TIP3 2471 71.138 12.473 11.273 1.00 0.00 WT5 H ATOM 53260 OH2 TIP3 2474 63.151 91.490 30.108 1.00 0.00 WT5 O ATOM 53261 H1 TIP3 2474 62.878 90.700 30.574 1.00 0.00 WT5 H ATOM 53262 H2 TIP3 2474 62.467 91.630 29.452 1.00 0.00 WT5 H ATOM 53263 OH2 TIP3 2500 64.350 55.150 -19.194 1.00 0.00 WT5 O ATOM 53264 H1 TIP3 2500 64.563 55.662 -19.974 1.00 0.00 WT5 H ATOM 53265 H2 TIP3 2500 63.473 54.807 -19.364 1.00 0.00 WT5 H ATOM 53266 OH2 TIP3 2521 90.291 93.167 -8.208 1.00 0.00 WT5 O ATOM 53267 H1 TIP3 2521 90.249 93.541 -7.328 1.00 0.00 WT5 H ATOM 53268 H2 TIP3 2521 89.879 93.826 -8.768 1.00 0.00 WT5 H ATOM 53269 OH2 TIP3 2524 76.788 70.432 3.042 1.00 0.00 WT5 O ATOM 53270 H1 TIP3 2524 76.176 69.714 3.199 1.00 0.00 WT5 H ATOM 53271 H2 TIP3 2524 76.280 71.224 3.217 1.00 0.00 WT5 H ATOM 53272 OH2 TIP3 2525 38.726 62.995 66.887 1.00 0.00 WT5 O ATOM 53273 H1 TIP3 2525 39.262 62.220 67.055 1.00 0.00 WT5 H ATOM 53274 H2 TIP3 2525 38.199 62.761 66.123 1.00 0.00 WT5 H ATOM 53275 OH2 TIP3 2542 46.465 52.263 56.032 1.00 0.00 WT5 O ATOM 53276 H1 TIP3 2542 45.532 52.047 56.048 1.00 0.00 WT5 H ATOM 53277 H2 TIP3 2542 46.835 51.779 56.770 1.00 0.00 WT5 H ATOM 53278 OH2 TIP3 2559 72.750 52.962 13.834 1.00 0.00 WT5 O ATOM 53279 H1 TIP3 2559 72.911 52.159 13.337 1.00 0.00 WT5 H ATOM 53280 H2 TIP3 2559 71.886 52.832 14.225 1.00 0.00 WT5 H ATOM 53281 OH2 TIP3 2560 74.141 64.374 38.738 1.00 0.00 WT5 O ATOM 53282 H1 TIP3 2560 73.984 63.658 39.354 1.00 0.00 WT5 H ATOM 53283 H2 TIP3 2560 73.266 64.680 38.498 1.00 0.00 WT5 H ATOM 53284 OH2 TIP3 2568 38.850 33.877 36.877 1.00 0.00 WT5 O ATOM 53285 H1 TIP3 2568 38.906 34.410 37.670 1.00 0.00 WT5 H ATOM 53286 H2 TIP3 2568 39.094 34.474 36.169 1.00 0.00 WT5 H ATOM 53287 OH2 TIP3 2570 55.178 89.615 15.901 1.00 0.00 WT5 O ATOM 53288 H1 TIP3 2570 55.825 89.778 16.587 1.00 0.00 WT5 H ATOM 53289 H2 TIP3 2570 54.423 89.253 16.365 1.00 0.00 WT5 H ATOM 53290 OH2 TIP3 2603 39.447 80.568 -17.835 1.00 0.00 WT5 O ATOM 53291 H1 TIP3 2603 39.331 79.658 -18.106 1.00 0.00 WT5 H ATOM 53292 H2 TIP3 2603 40.353 80.615 -17.531 1.00 0.00 WT5 H ATOM 53293 OH2 TIP3 2629 49.407 9.249 16.574 1.00 0.00 WT5 O ATOM 53294 H1 TIP3 2629 48.951 9.901 17.106 1.00 0.00 WT5 H ATOM 53295 H2 TIP3 2629 50.275 9.624 16.426 1.00 0.00 WT5 H ATOM 53296 OH2 TIP3 2644 25.082 32.589 -1.647 1.00 0.00 WT5 O ATOM 53297 H1 TIP3 2644 25.379 32.686 -2.552 1.00 0.00 WT5 H ATOM 53298 H2 TIP3 2644 24.270 33.095 -1.605 1.00 0.00 WT5 H ATOM 53299 OH2 TIP3 2705 47.912 86.736 34.029 1.00 0.00 WT5 O ATOM 53300 H1 TIP3 2705 47.216 86.201 33.647 1.00 0.00 WT5 H ATOM 53301 H2 TIP3 2705 48.688 86.177 33.999 1.00 0.00 WT5 H ATOM 53302 OH2 TIP3 2714 20.611 2.773 7.919 1.00 0.00 WT5 O ATOM 53303 H1 TIP3 2714 20.906 3.008 7.039 1.00 0.00 WT5 H ATOM 53304 H2 TIP3 2714 20.131 3.542 8.225 1.00 0.00 WT5 H ATOM 53305 OH2 TIP3 2759 84.806 26.929 31.765 1.00 0.00 WT5 O ATOM 53306 H1 TIP3 2759 84.092 27.556 31.882 1.00 0.00 WT5 H ATOM 53307 H2 TIP3 2759 85.602 27.459 31.816 1.00 0.00 WT5 H ATOM 53308 OH2 TIP3 2780 61.842 21.397 -16.865 1.00 0.00 WT5 O ATOM 53309 H1 TIP3 2780 62.610 21.957 -16.757 1.00 0.00 WT5 H ATOM 53310 H2 TIP3 2780 62.112 20.549 -16.515 1.00 0.00 WT5 H ATOM 53311 OH2 TIP3 2781 49.996 21.319 63.608 1.00 0.00 WT5 O ATOM 53312 H1 TIP3 2781 50.893 21.102 63.353 1.00 0.00 WT5 H ATOM 53313 H2 TIP3 2781 49.993 22.273 63.689 1.00 0.00 WT5 H ATOM 53314 OH2 TIP3 2802 72.028 58.995 44.158 1.00 0.00 WT5 O ATOM 53315 H1 TIP3 2802 71.793 59.001 45.086 1.00 0.00 WT5 H ATOM 53316 H2 TIP3 2802 71.816 58.110 43.862 1.00 0.00 WT5 H ATOM 53317 OH2 TIP3 2855 61.190 21.242 30.562 1.00 0.00 WT5 O ATOM 53318 H1 TIP3 2855 60.742 22.085 30.624 1.00 0.00 WT5 H ATOM 53319 H2 TIP3 2855 60.529 20.644 30.214 1.00 0.00 WT5 H ATOM 53320 OH2 TIP3 2872 30.557 70.854 29.433 1.00 0.00 WT5 O ATOM 53321 H1 TIP3 2872 31.140 70.900 30.191 1.00 0.00 WT5 H ATOM 53322 H2 TIP3 2872 29.996 71.625 29.515 1.00 0.00 WT5 H ATOM 53323 OH2 TIP3 2894 66.793 47.896 -13.305 1.00 0.00 WT5 O ATOM 53324 H1 TIP3 2894 67.247 47.668 -14.116 1.00 0.00 WT5 H ATOM 53325 H2 TIP3 2894 66.508 48.801 -13.436 1.00 0.00 WT5 H ATOM 53326 OH2 TIP3 2895 87.923 69.761 -4.238 1.00 0.00 WT5 O ATOM 53327 H1 TIP3 2895 87.714 69.830 -3.306 1.00 0.00 WT5 H ATOM 53328 H2 TIP3 2895 88.074 70.664 -4.518 1.00 0.00 WT5 H ATOM 53329 OH2 TIP3 2906 77.553 66.408 21.358 1.00 0.00 WT5 O ATOM 53330 H1 TIP3 2906 77.300 65.485 21.361 1.00 0.00 WT5 H ATOM 53331 H2 TIP3 2906 76.870 66.845 21.867 1.00 0.00 WT5 H ATOM 53332 OH2 TIP3 2980 80.439 73.969 34.785 1.00 0.00 WT5 O ATOM 53333 H1 TIP3 2980 79.582 74.389 34.862 1.00 0.00 WT5 H ATOM 53334 H2 TIP3 2980 81.061 74.637 35.074 1.00 0.00 WT5 H ATOM 53335 OH2 TIP3 3029 52.560 26.713 17.331 1.00 0.00 WT5 O ATOM 53336 H1 TIP3 3029 51.704 26.468 17.682 1.00 0.00 WT5 H ATOM 53337 H2 TIP3 3029 52.447 27.614 17.029 1.00 0.00 WT5 H ATOM 53338 OH2 TIP3 3063 31.957 29.099 24.200 1.00 0.00 WT5 O ATOM 53339 H1 TIP3 3063 32.459 29.633 24.816 1.00 0.00 WT5 H ATOM 53340 H2 TIP3 3063 31.435 28.519 24.755 1.00 0.00 WT5 H ATOM 53341 OH2 TIP3 3287 21.798 17.754 -0.865 1.00 0.00 WT5 O ATOM 53342 H1 TIP3 3287 20.995 18.105 -1.250 1.00 0.00 WT5 H ATOM 53343 H2 TIP3 3287 21.973 18.322 -0.115 1.00 0.00 WT5 H ATOM 53344 OH2 TIP3 3294 25.827 83.479 0.100 1.00 0.00 WT5 O ATOM 53345 H1 TIP3 3294 26.110 82.918 -0.622 1.00 0.00 WT5 H ATOM 53346 H2 TIP3 3294 26.462 84.195 0.112 1.00 0.00 WT5 H ATOM 53347 OH2 TIP3 3521 83.768 81.367 -13.370 1.00 0.00 WT5 O ATOM 53348 H1 TIP3 3521 83.057 81.422 -12.731 1.00 0.00 WT5 H ATOM 53349 H2 TIP3 3521 84.567 81.405 -12.843 1.00 0.00 WT5 H ATOM 53350 OH2 TIP3 3665 81.014 11.133 36.255 1.00 0.00 WT5 O ATOM 53351 H1 TIP3 3665 81.610 10.812 36.933 1.00 0.00 WT5 H ATOM 53352 H2 TIP3 3665 81.227 10.610 35.482 1.00 0.00 WT5 H ATOM 53353 OH2 TIP3 3877 40.668 53.359 52.020 1.00 0.00 WT5 O ATOM 53354 H1 TIP3 3877 41.236 52.730 51.576 1.00 0.00 WT5 H ATOM 53355 H2 TIP3 3877 41.173 54.171 52.034 1.00 0.00 WT5 H ATOM 53356 OH2 TIP3 5421 87.971 31.292 27.178 1.00 0.00 WT5 O ATOM 53357 H1 TIP3 5421 87.205 31.578 26.681 1.00 0.00 WT5 H ATOM 53358 H2 TIP3 5421 87.816 31.618 28.065 1.00 0.00 WT5 H ATOM 53359 OH2 TIP3 6240 36.020 68.361 57.551 1.00 0.00 WT5 O ATOM 53360 H1 TIP3 6240 35.341 68.759 58.095 1.00 0.00 WT5 H ATOM 53361 H2 TIP3 6240 35.581 67.631 57.115 1.00 0.00 WT5 H ATOM 53362 OH2 TIP3 6350 76.863 77.793 10.715 1.00 0.00 WT5 O ATOM 53363 H1 TIP3 6350 76.893 78.634 11.171 1.00 0.00 WT5 H ATOM 53364 H2 TIP3 6350 76.179 77.300 11.167 1.00 0.00 WT5 H ATOM 53365 OH2 TIP3 6479 77.603 45.716 9.508 1.00 0.00 WT5 O ATOM 53366 H1 TIP3 6479 76.989 45.561 10.226 1.00 0.00 WT5 H ATOM 53367 H2 TIP3 6479 78.467 45.582 9.897 1.00 0.00 WT5 H ATOM 53368 OH2 TIP3 6628 37.350 22.307 29.442 1.00 0.00 WT5 O ATOM 53369 H1 TIP3 6628 37.853 22.890 30.012 1.00 0.00 WT5 H ATOM 53370 H2 TIP3 6628 37.768 22.390 28.585 1.00 0.00 WT5 H ATOM 53371 OH2 TIP3 6650 85.317 0.966 -2.573 1.00 0.00 WT5 O ATOM 53372 H1 TIP3 6650 85.322 1.834 -2.169 1.00 0.00 WT5 H ATOM 53373 H2 TIP3 6650 84.811 1.080 -3.378 1.00 0.00 WT5 H ATOM 53374 OH2 TIP3 6671 30.450 78.690 6.338 1.00 0.00 WT5 O ATOM 53375 H1 TIP3 6671 30.095 77.926 6.792 1.00 0.00 WT5 H ATOM 53376 H2 TIP3 6671 30.059 79.439 6.788 1.00 0.00 WT5 H ATOM 53377 OH2 TIP3 6751 88.864 72.381 -7.943 1.00 0.00 WT5 O ATOM 53378 H1 TIP3 6751 88.224 71.725 -8.221 1.00 0.00 WT5 H ATOM 53379 H2 TIP3 6751 88.866 72.325 -6.987 1.00 0.00 WT5 H ATOM 53380 OH2 TIP3 6773 65.133 39.721 -5.873 1.00 0.00 WT5 O ATOM 53381 H1 TIP3 6773 65.471 39.602 -6.761 1.00 0.00 WT5 H ATOM 53382 H2 TIP3 6773 64.225 39.421 -5.919 1.00 0.00 WT5 H ATOM 53383 OH2 TIP3 6964 57.838 65.465 64.705 1.00 0.00 WT5 O ATOM 53384 H1 TIP3 6964 57.287 64.704 64.519 1.00 0.00 WT5 H ATOM 53385 H2 TIP3 6964 57.840 65.964 63.888 1.00 0.00 WT5 H ATOM 53386 OH2 TIP3 6980 80.553 77.175 7.423 1.00 0.00 WT5 O ATOM 53387 H1 TIP3 6980 81.170 76.511 7.730 1.00 0.00 WT5 H ATOM 53388 H2 TIP3 6980 79.886 76.681 6.947 1.00 0.00 WT5 H ATOM 53389 OH2 TIP3 7027 70.788 54.409 57.352 1.00 0.00 WT5 O ATOM 53390 H1 TIP3 7027 71.371 54.968 57.865 1.00 0.00 WT5 H ATOM 53391 H2 TIP3 7027 69.908 54.651 57.641 1.00 0.00 WT5 H ATOM 53392 OH2 TIP3 7133 61.615 25.163 46.913 1.00 0.00 WT5 O ATOM 53393 H1 TIP3 7133 60.928 25.122 47.578 1.00 0.00 WT5 H ATOM 53394 H2 TIP3 7133 61.147 25.323 46.094 1.00 0.00 WT5 H ATOM 53395 OH2 TIP3 7165 77.049 18.895 39.068 1.00 0.00 WT5 O ATOM 53396 H1 TIP3 7165 77.097 19.839 38.922 1.00 0.00 WT5 H ATOM 53397 H2 TIP3 7165 77.906 18.664 39.427 1.00 0.00 WT5 H ATOM 53398 OH2 TIP3 7290 55.338 90.177 4.998 1.00 0.00 WT5 O ATOM 53399 H1 TIP3 7290 56.130 89.657 4.864 1.00 0.00 WT5 H ATOM 53400 H2 TIP3 7290 55.555 90.762 5.724 1.00 0.00 WT5 H ATOM 53401 OH2 TIP3 7295 87.559 92.711 -5.334 1.00 0.00 WT5 O ATOM 53402 H1 TIP3 7295 87.897 93.587 -5.516 1.00 0.00 WT5 H ATOM 53403 H2 TIP3 7295 88.256 92.120 -5.619 1.00 0.00 WT5 H ATOM 53404 OH2 TIP3 7308 80.864 2.038 43.911 1.00 0.00 WT5 O ATOM 53405 H1 TIP3 7308 81.560 2.437 43.390 1.00 0.00 WT5 H ATOM 53406 H2 TIP3 7308 80.354 1.528 43.282 1.00 0.00 WT5 H ATOM 53407 OH2 TIP3 7427 89.214 1.165 54.583 1.00 0.00 WT5 O ATOM 53408 H1 TIP3 7427 89.036 1.273 55.518 1.00 0.00 WT5 H ATOM 53409 H2 TIP3 7427 88.780 0.344 54.351 1.00 0.00 WT5 H ATOM 53410 OH2 TIP3 7532 31.353 28.587 60.824 1.00 0.00 WT5 O ATOM 53411 H1 TIP3 7532 32.064 28.886 61.392 1.00 0.00 WT5 H ATOM 53412 H2 TIP3 7532 31.582 28.921 59.957 1.00 0.00 WT5 H ATOM 53413 OH2 TIP3 7533 21.177 41.802 32.876 1.00 0.00 WT5 O ATOM 53414 H1 TIP3 7533 21.786 41.067 32.946 1.00 0.00 WT5 H ATOM 53415 H2 TIP3 7533 21.734 42.558 32.690 1.00 0.00 WT5 H ATOM 53416 OH2 TIP3 7537 39.027 14.763 39.297 1.00 0.00 WT5 O ATOM 53417 H1 TIP3 7537 39.341 14.965 38.416 1.00 0.00 WT5 H ATOM 53418 H2 TIP3 7537 38.217 15.265 39.384 1.00 0.00 WT5 H ATOM 53419 OH2 TIP3 7563 30.267 87.427 49.396 1.00 0.00 WT5 O ATOM 53420 H1 TIP3 7563 30.551 88.340 49.412 1.00 0.00 WT5 H ATOM 53421 H2 TIP3 7563 29.351 87.455 49.673 1.00 0.00 WT5 H ATOM 53422 OH2 TIP3 7568 23.956 7.892 45.207 1.00 0.00 WT5 O ATOM 53423 H1 TIP3 7568 24.281 7.613 44.350 1.00 0.00 WT5 H ATOM 53424 H2 TIP3 7568 23.558 7.105 45.580 1.00 0.00 WT5 H ATOM 53425 OH2 TIP3 7576 82.888 87.713 36.425 1.00 0.00 WT5 O ATOM 53426 H1 TIP3 7576 83.571 87.207 35.984 1.00 0.00 WT5 H ATOM 53427 H2 TIP3 7576 82.081 87.228 36.253 1.00 0.00 WT5 H ATOM 53428 OH2 TIP3 7583 60.329 90.126 2.492 1.00 0.00 WT5 O ATOM 53429 H1 TIP3 7583 60.425 90.217 1.544 1.00 0.00 WT5 H ATOM 53430 H2 TIP3 7583 59.466 89.728 2.609 1.00 0.00 WT5 H ATOM 53431 OH2 TIP3 7592 27.804 43.467 13.545 1.00 0.00 WT5 O ATOM 53432 H1 TIP3 7592 27.120 43.756 14.148 1.00 0.00 WT5 H ATOM 53433 H2 TIP3 7592 28.561 43.295 14.106 1.00 0.00 WT5 H ATOM 53434 OH2 TIP3 7603 62.955 63.614 44.300 1.00 0.00 WT5 O ATOM 53435 H1 TIP3 7603 63.291 63.392 43.432 1.00 0.00 WT5 H ATOM 53436 H2 TIP3 7603 62.006 63.520 44.222 1.00 0.00 WT5 H ATOM 53437 OH2 TIP3 7607 47.735 37.074 46.566 1.00 0.00 WT5 O ATOM 53438 H1 TIP3 7607 48.586 36.650 46.454 1.00 0.00 WT5 H ATOM 53439 H2 TIP3 7607 47.929 37.879 47.046 1.00 0.00 WT5 H ATOM 53440 OH2 TIP3 7630 37.837 6.785 3.223 1.00 0.00 WT5 O ATOM 53441 H1 TIP3 7630 37.334 6.390 3.935 1.00 0.00 WT5 H ATOM 53442 H2 TIP3 7630 38.589 6.203 3.108 1.00 0.00 WT5 H ATOM 53443 OH2 TIP3 7631 20.685 32.698 1.928 1.00 0.00 WT5 O ATOM 53444 H1 TIP3 7631 20.954 32.704 2.847 1.00 0.00 WT5 H ATOM 53445 H2 TIP3 7631 19.834 33.136 1.924 1.00 0.00 WT5 H ATOM 53446 OH2 TIP3 7634 90.189 46.334 23.778 1.00 0.00 WT5 O ATOM 53447 H1 TIP3 7634 89.821 46.659 22.956 1.00 0.00 WT5 H ATOM 53448 H2 TIP3 7634 89.480 46.435 24.413 1.00 0.00 WT5 H ATOM 53449 OH2 TIP3 7642 80.923 33.468 50.504 1.00 0.00 WT5 O ATOM 53450 H1 TIP3 7642 80.020 33.704 50.720 1.00 0.00 WT5 H ATOM 53451 H2 TIP3 7642 81.405 34.293 50.558 1.00 0.00 WT5 H ATOM 53452 OH2 TIP3 7647 54.626 11.611 5.821 1.00 0.00 WT5 O ATOM 53453 H1 TIP3 7647 53.704 11.820 5.974 1.00 0.00 WT5 H ATOM 53454 H2 TIP3 7647 54.714 10.699 6.098 1.00 0.00 WT5 H ATOM 53455 OH2 TIP3 7650 38.000 36.253 22.186 1.00 0.00 WT5 O ATOM 53456 H1 TIP3 7650 38.630 35.958 22.844 1.00 0.00 WT5 H ATOM 53457 H2 TIP3 7650 38.520 36.773 21.573 1.00 0.00 WT5 H ATOM 53458 OH2 TIP3 7661 74.145 25.384 41.590 1.00 0.00 WT5 O ATOM 53459 H1 TIP3 7661 74.123 26.195 41.081 1.00 0.00 WT5 H ATOM 53460 H2 TIP3 7661 73.252 25.044 41.539 1.00 0.00 WT5 H ATOM 53461 OH2 TIP3 7707 67.494 15.529 -18.332 1.00 0.00 WT5 O ATOM 53462 H1 TIP3 7707 67.576 16.463 -18.529 1.00 0.00 WT5 H ATOM 53463 H2 TIP3 7707 67.088 15.154 -19.113 1.00 0.00 WT5 H ATOM 53464 OH2 TIP3 7715 26.413 48.754 58.653 1.00 0.00 WT5 O ATOM 53465 H1 TIP3 7715 27.109 49.246 58.218 1.00 0.00 WT5 H ATOM 53466 H2 TIP3 7715 25.634 48.922 58.123 1.00 0.00 WT5 H ATOM 53467 OH2 TIP3 7739 66.039 37.716 55.789 1.00 0.00 WT5 O ATOM 53468 H1 TIP3 7739 65.317 37.269 56.230 1.00 0.00 WT5 H ATOM 53469 H2 TIP3 7739 65.613 38.304 55.165 1.00 0.00 WT5 H ATOM 53470 OH2 TIP3 7748 22.110 0.372 38.782 1.00 0.00 WT5 O ATOM 53471 H1 TIP3 7748 21.816 1.283 38.765 1.00 0.00 WT5 H ATOM 53472 H2 TIP3 7748 22.716 0.329 39.522 1.00 0.00 WT5 H ATOM 53473 OH2 TIP3 7784 30.205 28.996 38.037 1.00 0.00 WT5 O ATOM 53474 H1 TIP3 7784 30.557 29.461 38.796 1.00 0.00 WT5 H ATOM 53475 H2 TIP3 7784 29.823 28.197 38.401 1.00 0.00 WT5 H ATOM 53476 OH2 TIP3 7833 34.063 65.121 39.166 1.00 0.00 WT5 O ATOM 53477 H1 TIP3 7833 33.138 64.998 38.951 1.00 0.00 WT5 H ATOM 53478 H2 TIP3 7833 34.114 66.018 39.499 1.00 0.00 WT5 H ATOM 53479 OH2 TIP3 7846 36.884 55.185 11.530 1.00 0.00 WT5 O ATOM 53480 H1 TIP3 7846 36.623 55.116 12.448 1.00 0.00 WT5 H ATOM 53481 H2 TIP3 7846 36.930 56.127 11.364 1.00 0.00 WT5 H ATOM 53482 OH2 TIP3 7925 79.398 55.092 -4.193 1.00 0.00 WT5 O ATOM 53483 H1 TIP3 7925 80.223 55.118 -4.678 1.00 0.00 WT5 H ATOM 53484 H2 TIP3 7925 79.529 55.699 -3.464 1.00 0.00 WT5 H ATOM 53485 OH2 TIP3 7944 82.911 27.466 12.697 1.00 0.00 WT5 O ATOM 53486 H1 TIP3 7944 81.990 27.394 12.947 1.00 0.00 WT5 H ATOM 53487 H2 TIP3 7944 82.892 27.599 11.749 1.00 0.00 WT5 H ATOM 53488 OH2 TIP3 7951 45.258 73.225 12.658 1.00 0.00 WT5 O ATOM 53489 H1 TIP3 7951 46.070 73.448 12.205 1.00 0.00 WT5 H ATOM 53490 H2 TIP3 7951 44.843 72.568 12.098 1.00 0.00 WT5 H ATOM 53491 OH2 TIP3 7959 42.823 82.758 60.478 1.00 0.00 WT5 O ATOM 53492 H1 TIP3 7959 43.493 82.095 60.642 1.00 0.00 WT5 H ATOM 53493 H2 TIP3 7959 42.006 82.349 60.764 1.00 0.00 WT5 H ATOM 53494 OH2 TIP3 7978 21.705 77.788 36.507 1.00 0.00 WT5 O ATOM 53495 H1 TIP3 7978 21.069 77.192 36.902 1.00 0.00 WT5 H ATOM 53496 H2 TIP3 7978 21.949 77.368 35.683 1.00 0.00 WT5 H ATOM 53497 OH2 TIP3 7979 71.933 45.096 17.212 1.00 0.00 WT5 O ATOM 53498 H1 TIP3 7979 71.376 45.871 17.288 1.00 0.00 WT5 H ATOM 53499 H2 TIP3 7979 71.511 44.562 16.540 1.00 0.00 WT5 H ATOM 53500 OH2 TIP3 7985 40.769 69.665 -3.499 1.00 0.00 WT5 O ATOM 53501 H1 TIP3 7985 40.951 68.736 -3.646 1.00 0.00 WT5 H ATOM 53502 H2 TIP3 7985 41.126 69.844 -2.629 1.00 0.00 WT5 H ATOM 53503 OH2 TIP3 7997 32.698 27.151 55.952 1.00 0.00 WT5 O ATOM 53504 H1 TIP3 7997 32.350 27.996 55.669 1.00 0.00 WT5 H ATOM 53505 H2 TIP3 7997 33.648 27.252 55.897 1.00 0.00 WT5 H ATOM 53506 OH2 TIP3 7998 36.872 93.861 52.877 1.00 0.00 WT5 O ATOM 53507 H1 TIP3 7998 37.550 94.480 53.148 1.00 0.00 WT5 H ATOM 53508 H2 TIP3 7998 36.596 94.170 52.014 1.00 0.00 WT5 H ATOM 53509 OH2 TIP3 8000 21.165 33.151 30.642 1.00 0.00 WT5 O ATOM 53510 H1 TIP3 8000 20.918 33.807 29.990 1.00 0.00 WT5 H ATOM 53511 H2 TIP3 8000 21.708 32.527 30.160 1.00 0.00 WT5 H ATOM 53512 OH2 TIP3 8014 66.239 13.037 37.084 1.00 0.00 WT5 O ATOM 53513 H1 TIP3 8014 65.836 12.739 36.268 1.00 0.00 WT5 H ATOM 53514 H2 TIP3 8014 65.956 13.948 37.172 1.00 0.00 WT5 H ATOM 53515 OH2 TIP3 8023 32.498 79.715 57.080 1.00 0.00 WT5 O ATOM 53516 H1 TIP3 8023 32.670 79.109 57.801 1.00 0.00 WT5 H ATOM 53517 H2 TIP3 8023 33.314 79.733 56.581 1.00 0.00 WT5 H ATOM 53518 OH2 TIP3 8024 32.236 70.810 55.875 1.00 0.00 WT5 O ATOM 53519 H1 TIP3 8024 32.013 71.521 55.274 1.00 0.00 WT5 H ATOM 53520 H2 TIP3 8024 31.969 70.015 55.414 1.00 0.00 WT5 H ATOM 53521 OH2 TIP3 8031 80.889 36.348 14.354 1.00 0.00 WT5 O ATOM 53522 H1 TIP3 8031 81.560 36.910 13.966 1.00 0.00 WT5 H ATOM 53523 H2 TIP3 8031 80.067 36.815 14.201 1.00 0.00 WT5 H ATOM 53524 OH2 TIP3 8034 32.117 69.126 7.833 1.00 0.00 WT5 O ATOM 53525 H1 TIP3 8034 32.731 69.819 8.076 1.00 0.00 WT5 H ATOM 53526 H2 TIP3 8034 31.359 69.267 8.402 1.00 0.00 WT5 H ATOM 53527 OH2 TIP3 8046 90.204 60.909 -8.890 1.00 0.00 WT5 O ATOM 53528 H1 TIP3 8046 89.799 61.740 -8.643 1.00 0.00 WT5 H ATOM 53529 H2 TIP3 8046 89.565 60.494 -9.470 1.00 0.00 WT5 H ATOM 53530 OH2 TIP3 8064 58.314 6.387 8.894 1.00 0.00 WT5 O ATOM 53531 H1 TIP3 8064 58.045 5.786 9.588 1.00 0.00 WT5 H ATOM 53532 H2 TIP3 8064 59.271 6.381 8.929 1.00 0.00 WT5 H ATOM 53533 OH2 TIP3 8067 75.997 52.604 25.984 1.00 0.00 WT5 O ATOM 53534 H1 TIP3 8067 75.362 52.549 26.697 1.00 0.00 WT5 H ATOM 53535 H2 TIP3 8067 75.499 52.374 25.200 1.00 0.00 WT5 H ATOM 53536 OH2 TIP3 8068 78.037 26.409 47.594 1.00 0.00 WT5 O ATOM 53537 H1 TIP3 8068 77.965 26.201 46.663 1.00 0.00 WT5 H ATOM 53538 H2 TIP3 8068 77.207 26.118 47.970 1.00 0.00 WT5 H ATOM 53539 OH2 TIP3 8079 33.793 28.268 49.371 1.00 0.00 WT5 O ATOM 53540 H1 TIP3 8079 33.491 27.900 50.201 1.00 0.00 WT5 H ATOM 53541 H2 TIP3 8079 33.420 27.693 48.703 1.00 0.00 WT5 H ATOM 53542 OH2 TIP3 8123 44.224 7.413 64.170 1.00 0.00 WT5 O ATOM 53543 H1 TIP3 8123 44.169 6.458 64.142 1.00 0.00 WT5 H ATOM 53544 H2 TIP3 8123 45.054 7.618 63.740 1.00 0.00 WT5 H ATOM 53545 OH2 TIP3 8133 38.421 58.506 3.837 1.00 0.00 WT5 O ATOM 53546 H1 TIP3 8133 37.871 58.814 4.558 1.00 0.00 WT5 H ATOM 53547 H2 TIP3 8133 39.179 59.091 3.847 1.00 0.00 WT5 H ATOM 53548 OH2 TIP3 8136 85.923 52.067 41.597 1.00 0.00 WT5 O ATOM 53549 H1 TIP3 8136 85.613 51.453 40.931 1.00 0.00 WT5 H ATOM 53550 H2 TIP3 8136 86.206 52.836 41.101 1.00 0.00 WT5 H ATOM 53551 OH2 TIP3 8140 45.733 53.738 34.952 1.00 0.00 WT5 O ATOM 53552 H1 TIP3 8140 45.426 53.019 34.400 1.00 0.00 WT5 H ATOM 53553 H2 TIP3 8140 45.576 53.436 35.847 1.00 0.00 WT5 H ATOM 53554 OH2 TIP3 8141 37.705 70.895 58.559 1.00 0.00 WT5 O ATOM 53555 H1 TIP3 8141 37.319 70.955 59.433 1.00 0.00 WT5 H ATOM 53556 H2 TIP3 8141 38.621 71.145 58.683 1.00 0.00 WT5 H ATOM 53557 OH2 TIP3 8161 80.102 37.126 22.332 1.00 0.00 WT5 O ATOM 53558 H1 TIP3 8161 79.192 37.219 22.612 1.00 0.00 WT5 H ATOM 53559 H2 TIP3 8161 80.139 37.563 21.482 1.00 0.00 WT5 H ATOM 53560 OH2 TIP3 8173 21.326 64.241 -10.593 1.00 0.00 WT5 O ATOM 53561 H1 TIP3 8173 20.773 65.006 -10.749 1.00 0.00 WT5 H ATOM 53562 H2 TIP3 8173 21.006 63.583 -11.210 1.00 0.00 WT5 H ATOM 53563 OH2 TIP3 8174 65.624 45.364 57.559 1.00 0.00 WT5 O ATOM 53564 H1 TIP3 8174 66.102 45.302 58.385 1.00 0.00 WT5 H ATOM 53565 H2 TIP3 8174 64.721 45.550 57.817 1.00 0.00 WT5 H ATOM 53566 OH2 TIP3 8176 43.133 7.509 55.788 1.00 0.00 WT5 O ATOM 53567 H1 TIP3 8176 42.978 6.565 55.747 1.00 0.00 WT5 H ATOM 53568 H2 TIP3 8176 44.022 7.591 56.133 1.00 0.00 WT5 H ATOM 53569 OH2 TIP3 8183 58.581 34.091 -18.602 1.00 0.00 WT5 O ATOM 53570 H1 TIP3 8183 59.473 34.400 -18.764 1.00 0.00 WT5 H ATOM 53571 H2 TIP3 8183 58.351 34.458 -17.748 1.00 0.00 WT5 H ATOM 53572 OH2 TIP3 8191 82.457 34.776 47.590 1.00 0.00 WT5 O ATOM 53573 H1 TIP3 8191 82.874 33.959 47.865 1.00 0.00 WT5 H ATOM 53574 H2 TIP3 8191 82.149 35.173 48.405 1.00 0.00 WT5 H ATOM 53575 OH2 TIP3 8193 59.586 24.256 49.678 1.00 0.00 WT5 O ATOM 53576 H1 TIP3 8193 59.174 24.002 50.505 1.00 0.00 WT5 H ATOM 53577 H2 TIP3 8193 59.214 23.657 49.031 1.00 0.00 WT5 H ATOM 53578 OH2 TIP3 8218 65.481 55.190 21.881 1.00 0.00 WT5 O ATOM 53579 H1 TIP3 8218 64.857 55.599 22.480 1.00 0.00 WT5 H ATOM 53580 H2 TIP3 8218 65.189 55.460 21.010 1.00 0.00 WT5 H ATOM 53581 OH2 TIP3 8222 45.920 36.673 -8.844 1.00 0.00 WT5 O ATOM 53582 H1 TIP3 8222 45.030 36.328 -8.907 1.00 0.00 WT5 H ATOM 53583 H2 TIP3 8222 46.035 36.873 -7.915 1.00 0.00 WT5 H ATOM 53584 OH2 TIP3 8229 57.024 15.041 16.379 1.00 0.00 WT5 O ATOM 53585 H1 TIP3 8229 56.646 15.600 15.700 1.00 0.00 WT5 H ATOM 53586 H2 TIP3 8229 57.010 15.580 17.170 1.00 0.00 WT5 H ATOM 53587 OH2 TIP3 8230 69.862 27.290 40.549 1.00 0.00 WT5 O ATOM 53588 H1 TIP3 8230 70.226 26.473 40.890 1.00 0.00 WT5 H ATOM 53589 H2 TIP3 8230 68.918 27.206 40.681 1.00 0.00 WT5 H ATOM 53590 OH2 TIP3 8260 25.009 94.419 64.402 1.00 0.00 WT5 O ATOM 53591 H1 TIP3 8260 24.225 94.435 64.952 1.00 0.00 WT5 H ATOM 53592 H2 TIP3 8260 25.632 94.985 64.858 1.00 0.00 WT5 H ATOM 53593 OH2 TIP3 8263 84.651 94.587 64.814 1.00 0.00 WT5 O ATOM 53594 H1 TIP3 8263 84.063 94.022 65.315 1.00 0.00 WT5 H ATOM 53595 H2 TIP3 8263 84.985 95.215 65.455 1.00 0.00 WT5 H ATOM 53596 OH2 TIP3 8264 71.979 77.249 17.470 1.00 0.00 WT5 O ATOM 53597 H1 TIP3 8264 71.971 76.632 18.202 1.00 0.00 WT5 H ATOM 53598 H2 TIP3 8264 72.212 76.716 16.710 1.00 0.00 WT5 H ATOM 53599 OH2 TIP3 8265 49.506 7.103 31.913 1.00 0.00 WT5 O ATOM 53600 H1 TIP3 8265 49.183 6.362 31.401 1.00 0.00 WT5 H ATOM 53601 H2 TIP3 8265 49.861 7.708 31.262 1.00 0.00 WT5 H ATOM 53602 OH2 TIP3 8266 87.686 31.888 -17.038 1.00 0.00 WT5 O ATOM 53603 H1 TIP3 8266 88.358 31.673 -17.684 1.00 0.00 WT5 H ATOM 53604 H2 TIP3 8266 87.277 32.686 -17.373 1.00 0.00 WT5 H ATOM 53605 OH2 TIP3 8278 75.240 46.592 60.023 1.00 0.00 WT5 O ATOM 53606 H1 TIP3 8278 74.895 47.091 59.282 1.00 0.00 WT5 H ATOM 53607 H2 TIP3 8278 75.354 47.241 60.717 1.00 0.00 WT5 H ATOM 53608 OH2 TIP3 8290 57.393 26.832 17.973 1.00 0.00 WT5 O ATOM 53609 H1 TIP3 8290 56.905 27.313 17.305 1.00 0.00 WT5 H ATOM 53610 H2 TIP3 8290 57.567 27.479 18.656 1.00 0.00 WT5 H ATOM 53611 OH2 TIP3 8308 76.637 55.609 53.133 1.00 0.00 WT5 O ATOM 53612 H1 TIP3 8308 77.425 55.944 52.706 1.00 0.00 WT5 H ATOM 53613 H2 TIP3 8308 76.862 55.580 54.063 1.00 0.00 WT5 H ATOM 53614 OH2 TIP3 8309 70.608 94.600 46.134 1.00 0.00 WT5 O ATOM 53615 H1 TIP3 8309 70.200 93.858 46.579 1.00 0.00 WT5 H ATOM 53616 H2 TIP3 8309 70.278 94.554 45.237 1.00 0.00 WT5 H ATOM 53617 OH2 TIP3 8328 89.395 82.394 61.732 1.00 0.00 WT5 O ATOM 53618 H1 TIP3 8328 89.651 82.086 60.863 1.00 0.00 WT5 H ATOM 53619 H2 TIP3 8328 89.289 81.595 62.248 1.00 0.00 WT5 H ATOM 53620 OH2 TIP3 8330 69.931 40.347 32.241 1.00 0.00 WT5 O ATOM 53621 H1 TIP3 8330 69.452 39.912 31.535 1.00 0.00 WT5 H ATOM 53622 H2 TIP3 8330 69.826 41.281 32.062 1.00 0.00 WT5 H ATOM 53623 OH2 TIP3 8351 33.044 62.647 17.054 1.00 0.00 WT5 O ATOM 53624 H1 TIP3 8351 32.299 62.057 17.166 1.00 0.00 WT5 H ATOM 53625 H2 TIP3 8351 33.810 62.074 17.091 1.00 0.00 WT5 H ATOM 53626 OH2 TIP3 8352 60.193 2.459 2.138 1.00 0.00 WT5 O ATOM 53627 H1 TIP3 8352 60.685 1.770 1.693 1.00 0.00 WT5 H ATOM 53628 H2 TIP3 8352 60.039 2.114 3.018 1.00 0.00 WT5 H ATOM 53629 OH2 TIP3 8357 48.446 90.216 8.618 1.00 0.00 WT5 O ATOM 53630 H1 TIP3 8357 47.586 89.801 8.554 1.00 0.00 WT5 H ATOM 53631 H2 TIP3 8357 49.067 89.489 8.566 1.00 0.00 WT5 H ATOM 53632 OH2 TIP3 8361 79.935 84.551 38.419 1.00 0.00 WT5 O ATOM 53633 H1 TIP3 8361 79.766 85.283 39.012 1.00 0.00 WT5 H ATOM 53634 H2 TIP3 8361 80.866 84.359 38.534 1.00 0.00 WT5 H ATOM 53635 OH2 TIP3 8368 66.389 68.026 18.900 1.00 0.00 WT5 O ATOM 53636 H1 TIP3 8368 65.485 68.166 18.618 1.00 0.00 WT5 H ATOM 53637 H2 TIP3 8368 66.744 67.405 18.264 1.00 0.00 WT5 H ATOM 53638 OH2 TIP3 8375 27.604 84.844 54.895 1.00 0.00 WT5 O ATOM 53639 H1 TIP3 8375 28.183 84.104 55.078 1.00 0.00 WT5 H ATOM 53640 H2 TIP3 8375 26.743 84.557 55.200 1.00 0.00 WT5 H ATOM 53641 OH2 TIP3 8376 34.828 1.050 26.685 1.00 0.00 WT5 O ATOM 53642 H1 TIP3 8376 34.140 0.596 27.172 1.00 0.00 WT5 H ATOM 53643 H2 TIP3 8376 35.480 1.278 27.348 1.00 0.00 WT5 H ATOM 53644 OH2 TIP3 8383 62.214 42.004 -6.052 1.00 0.00 WT5 O ATOM 53645 H1 TIP3 8383 62.697 42.506 -5.395 1.00 0.00 WT5 H ATOM 53646 H2 TIP3 8383 61.319 42.339 -6.000 1.00 0.00 WT5 H ATOM 53647 OH2 TIP3 8393 66.793 28.501 9.131 1.00 0.00 WT5 O ATOM 53648 H1 TIP3 8393 66.671 29.221 9.750 1.00 0.00 WT5 H ATOM 53649 H2 TIP3 8393 65.908 28.291 8.831 1.00 0.00 WT5 H ATOM 53650 OH2 TIP3 8395 67.025 26.707 49.218 1.00 0.00 WT5 O ATOM 53651 H1 TIP3 8395 66.580 27.544 49.351 1.00 0.00 WT5 H ATOM 53652 H2 TIP3 8395 67.901 26.840 49.579 1.00 0.00 WT5 H ATOM 53653 OH2 TIP3 8403 36.832 6.887 39.273 1.00 0.00 WT5 O ATOM 53654 H1 TIP3 8403 36.872 7.769 39.642 1.00 0.00 WT5 H ATOM 53655 H2 TIP3 8403 36.724 7.024 38.332 1.00 0.00 WT5 H ATOM 53656 OH2 TIP3 8408 57.823 34.172 58.433 1.00 0.00 WT5 O ATOM 53657 H1 TIP3 8408 57.642 35.091 58.235 1.00 0.00 WT5 H ATOM 53658 H2 TIP3 8408 57.025 33.710 58.179 1.00 0.00 WT5 H ATOM 53659 OH2 TIP3 8411 35.856 20.609 36.184 1.00 0.00 WT5 O ATOM 53660 H1 TIP3 8411 35.099 20.023 36.198 1.00 0.00 WT5 H ATOM 53661 H2 TIP3 8411 35.562 21.368 35.679 1.00 0.00 WT5 H ATOM 53662 OH2 TIP3 8414 54.717 88.449 61.957 1.00 0.00 WT5 O ATOM 53663 H1 TIP3 8414 54.088 87.802 62.274 1.00 0.00 WT5 H ATOM 53664 H2 TIP3 8414 55.316 88.582 62.692 1.00 0.00 WT5 H ATOM 53665 OH2 TIP3 8419 27.578 96.468 51.981 1.00 0.00 WT5 O ATOM 53666 H1 TIP3 8419 28.145 97.014 51.437 1.00 0.00 WT5 H ATOM 53667 H2 TIP3 8419 28.114 95.705 52.198 1.00 0.00 WT5 H ATOM 53668 OH2 TIP3 8425 54.995 30.069 -17.037 1.00 0.00 WT5 O ATOM 53669 H1 TIP3 8425 54.157 30.505 -17.195 1.00 0.00 WT5 H ATOM 53670 H2 TIP3 8425 55.497 30.217 -17.838 1.00 0.00 WT5 H ATOM 53671 OH2 TIP3 8440 41.615 2.839 39.130 1.00 0.00 WT5 O ATOM 53672 H1 TIP3 8440 41.258 3.378 39.836 1.00 0.00 WT5 H ATOM 53673 H2 TIP3 8440 40.845 2.529 38.653 1.00 0.00 WT5 H ATOM 53674 OH2 TIP3 8448 72.889 23.561 36.391 1.00 0.00 WT5 O ATOM 53675 H1 TIP3 8448 73.728 23.557 35.930 1.00 0.00 WT5 H ATOM 53676 H2 TIP3 8448 72.667 22.636 36.492 1.00 0.00 WT5 H ATOM 53677 OH2 TIP3 8452 23.214 35.993 65.097 1.00 0.00 WT5 O ATOM 53678 H1 TIP3 8452 24.017 35.637 65.478 1.00 0.00 WT5 H ATOM 53679 H2 TIP3 8452 22.582 35.980 65.816 1.00 0.00 WT5 H ATOM 53680 OH2 TIP3 8459 61.559 8.991 10.704 1.00 0.00 WT5 O ATOM 53681 H1 TIP3 8459 60.887 9.092 11.379 1.00 0.00 WT5 H ATOM 53682 H2 TIP3 8459 61.265 9.551 9.986 1.00 0.00 WT5 H ATOM 53683 OH2 TIP3 8466 78.737 32.676 53.368 1.00 0.00 WT5 O ATOM 53684 H1 TIP3 8466 78.161 32.142 52.821 1.00 0.00 WT5 H ATOM 53685 H2 TIP3 8466 79.620 32.459 53.069 1.00 0.00 WT5 H ATOM 53686 OH2 TIP3 8468 40.453 24.519 56.796 1.00 0.00 WT5 O ATOM 53687 H1 TIP3 8468 40.386 23.890 56.078 1.00 0.00 WT5 H ATOM 53688 H2 TIP3 8468 40.352 23.990 57.588 1.00 0.00 WT5 H ATOM 53689 OH2 TIP3 8488 67.869 52.734 20.874 1.00 0.00 WT5 O ATOM 53690 H1 TIP3 8488 67.126 52.137 20.960 1.00 0.00 WT5 H ATOM 53691 H2 TIP3 8488 67.612 53.339 20.179 1.00 0.00 WT5 H ATOM 53692 OH2 TIP3 8492 22.402 36.179 27.153 1.00 0.00 WT5 O ATOM 53693 H1 TIP3 8492 21.687 36.427 26.566 1.00 0.00 WT5 H ATOM 53694 H2 TIP3 8492 22.810 37.010 27.398 1.00 0.00 WT5 H ATOM 53695 OH2 TIP3 8500 49.251 89.107 54.909 1.00 0.00 WT5 O ATOM 53696 H1 TIP3 8500 49.837 88.829 54.206 1.00 0.00 WT5 H ATOM 53697 H2 TIP3 8500 48.399 89.211 54.485 1.00 0.00 WT5 H ATOM 53698 OH2 TIP3 8518 76.103 12.563 58.475 1.00 0.00 WT5 O ATOM 53699 H1 TIP3 8518 76.945 12.474 58.922 1.00 0.00 WT5 H ATOM 53700 H2 TIP3 8518 76.221 12.099 57.646 1.00 0.00 WT5 H ATOM 53701 OH2 TIP3 8520 61.935 13.577 10.410 1.00 0.00 WT5 O ATOM 53702 H1 TIP3 8520 62.791 13.964 10.227 1.00 0.00 WT5 H ATOM 53703 H2 TIP3 8520 61.497 14.217 10.971 1.00 0.00 WT5 H ATOM 53704 OH2 TIP3 8534 54.397 95.261 27.841 1.00 0.00 WT5 O ATOM 53705 H1 TIP3 8534 53.456 95.237 27.665 1.00 0.00 WT5 H ATOM 53706 H2 TIP3 8534 54.578 96.176 28.053 1.00 0.00 WT5 H ATOM 53707 OH2 TIP3 8536 48.437 4.194 -10.291 1.00 0.00 WT5 O ATOM 53708 H1 TIP3 8536 48.958 3.519 -9.857 1.00 0.00 WT5 H ATOM 53709 H2 TIP3 8536 48.076 3.760 -11.064 1.00 0.00 WT5 H ATOM 53710 OH2 TIP3 8537 30.427 37.432 46.678 1.00 0.00 WT5 O ATOM 53711 H1 TIP3 8537 30.521 36.949 47.499 1.00 0.00 WT5 H ATOM 53712 H2 TIP3 8537 31.229 37.240 46.193 1.00 0.00 WT5 H ATOM 53713 OH2 TIP3 8549 86.313 78.384 29.221 1.00 0.00 WT5 O ATOM 53714 H1 TIP3 8549 87.144 78.676 29.598 1.00 0.00 WT5 H ATOM 53715 H2 TIP3 8549 86.365 77.429 29.236 1.00 0.00 WT5 H ATOM 53716 OH2 TIP3 8556 88.274 70.523 -1.694 1.00 0.00 WT5 O ATOM 53717 H1 TIP3 8556 88.134 69.736 -1.167 1.00 0.00 WT5 H ATOM 53718 H2 TIP3 8556 89.165 70.800 -1.479 1.00 0.00 WT5 H ATOM 53719 OH2 TIP3 8558 68.790 83.328 -6.387 1.00 0.00 WT5 O ATOM 53720 H1 TIP3 8558 68.818 83.288 -7.343 1.00 0.00 WT5 H ATOM 53721 H2 TIP3 8558 69.653 83.021 -6.108 1.00 0.00 WT5 H ATOM 53722 OH2 TIP3 8560 24.029 49.010 62.519 1.00 0.00 WT5 O ATOM 53723 H1 TIP3 8560 23.674 48.381 63.147 1.00 0.00 WT5 H ATOM 53724 H2 TIP3 8560 24.839 48.606 62.207 1.00 0.00 WT5 H ATOM 53725 OH2 TIP3 8566 84.542 16.867 1.278 1.00 0.00 WT5 O ATOM 53726 H1 TIP3 8566 84.149 16.022 1.497 1.00 0.00 WT5 H ATOM 53727 H2 TIP3 8566 84.247 17.456 1.973 1.00 0.00 WT5 H ATOM 53728 OH2 TIP3 8567 56.057 66.751 51.080 1.00 0.00 WT5 O ATOM 53729 H1 TIP3 8567 56.192 66.088 50.404 1.00 0.00 WT5 H ATOM 53730 H2 TIP3 8567 55.110 66.762 51.220 1.00 0.00 WT5 H ATOM 53731 OH2 TIP3 8570 31.304 66.236 31.955 1.00 0.00 WT5 O ATOM 53732 H1 TIP3 8570 31.970 66.638 31.398 1.00 0.00 WT5 H ATOM 53733 H2 TIP3 8570 30.487 66.345 31.469 1.00 0.00 WT5 H ATOM 53734 OH2 TIP3 8574 71.574 5.536 47.404 1.00 0.00 WT5 O ATOM 53735 H1 TIP3 8574 71.855 5.090 48.203 1.00 0.00 WT5 H ATOM 53736 H2 TIP3 8574 70.626 5.625 47.499 1.00 0.00 WT5 H ATOM 53737 OH2 TIP3 8585 36.779 26.121 1.171 1.00 0.00 WT5 O ATOM 53738 H1 TIP3 8585 37.099 26.447 2.012 1.00 0.00 WT5 H ATOM 53739 H2 TIP3 8585 37.555 25.764 0.740 1.00 0.00 WT5 H ATOM 53740 OH2 TIP3 8600 20.637 92.944 9.491 1.00 0.00 WT5 O ATOM 53741 H1 TIP3 8600 20.838 93.019 8.558 1.00 0.00 WT5 H ATOM 53742 H2 TIP3 8600 19.851 92.400 9.524 1.00 0.00 WT5 H ATOM 53743 OH2 TIP3 8608 39.609 13.584 19.906 1.00 0.00 WT5 O ATOM 53744 H1 TIP3 8608 39.400 14.323 20.478 1.00 0.00 WT5 H ATOM 53745 H2 TIP3 8608 40.537 13.692 19.702 1.00 0.00 WT5 H ATOM 53746 OH2 TIP3 8622 74.785 63.127 25.564 1.00 0.00 WT5 O ATOM 53747 H1 TIP3 8622 75.357 62.770 24.884 1.00 0.00 WT5 H ATOM 53748 H2 TIP3 8622 73.927 62.745 25.379 1.00 0.00 WT5 H ATOM 53749 OH2 TIP3 8626 31.135 21.810 -12.705 1.00 0.00 WT5 O ATOM 53750 H1 TIP3 8626 31.295 20.908 -12.429 1.00 0.00 WT5 H ATOM 53751 H2 TIP3 8626 30.513 22.152 -12.062 1.00 0.00 WT5 H ATOM 53752 OH2 TIP3 8628 65.944 32.351 64.980 1.00 0.00 WT5 O ATOM 53753 H1 TIP3 8628 65.087 32.354 65.406 1.00 0.00 WT5 H ATOM 53754 H2 TIP3 8628 65.753 32.501 64.054 1.00 0.00 WT5 H ATOM 53755 OH2 TIP3 8642 45.836 46.474 62.173 1.00 0.00 WT5 O ATOM 53756 H1 TIP3 8642 44.931 46.458 61.861 1.00 0.00 WT5 H ATOM 53757 H2 TIP3 8642 46.022 45.567 62.414 1.00 0.00 WT5 H ATOM 53758 OH2 TIP3 8645 59.665 5.675 55.711 1.00 0.00 WT5 O ATOM 53759 H1 TIP3 8645 59.834 5.103 54.963 1.00 0.00 WT5 H ATOM 53760 H2 TIP3 8645 60.414 5.538 56.291 1.00 0.00 WT5 H ATOM 53761 OH2 TIP3 8653 60.201 31.322 52.082 1.00 0.00 WT5 O ATOM 53762 H1 TIP3 8653 60.910 30.736 51.815 1.00 0.00 WT5 H ATOM 53763 H2 TIP3 8653 60.642 32.131 52.340 1.00 0.00 WT5 H ATOM 53764 OH2 TIP3 8658 68.708 47.774 49.477 1.00 0.00 WT5 O ATOM 53765 H1 TIP3 8658 68.299 48.333 48.817 1.00 0.00 WT5 H ATOM 53766 H2 TIP3 8658 68.317 46.912 49.337 1.00 0.00 WT5 H ATOM 53767 OH2 TIP3 8661 66.857 30.402 -7.046 1.00 0.00 WT5 O ATOM 53768 H1 TIP3 8661 66.114 30.392 -7.649 1.00 0.00 WT5 H ATOM 53769 H2 TIP3 8661 67.420 31.105 -7.370 1.00 0.00 WT5 H ATOM 53770 OH2 TIP3 8662 37.863 44.707 52.192 1.00 0.00 WT5 O ATOM 53771 H1 TIP3 8662 38.566 44.259 51.722 1.00 0.00 WT5 H ATOM 53772 H2 TIP3 8662 37.846 45.588 51.816 1.00 0.00 WT5 H ATOM 53773 OH2 TIP3 8666 38.926 49.339 6.712 1.00 0.00 WT5 O ATOM 53774 H1 TIP3 8666 39.352 49.920 7.342 1.00 0.00 WT5 H ATOM 53775 H2 TIP3 8666 39.019 48.465 7.092 1.00 0.00 WT5 H ATOM 53776 OH2 TIP3 8675 68.557 29.497 1.986 1.00 0.00 WT5 O ATOM 53777 H1 TIP3 8675 69.260 30.021 2.371 1.00 0.00 WT5 H ATOM 53778 H2 TIP3 8675 67.752 29.895 2.318 1.00 0.00 WT5 H ATOM 53779 OH2 TIP3 8679 36.336 70.225 12.146 1.00 0.00 WT5 O ATOM 53780 H1 TIP3 8679 36.605 71.127 12.318 1.00 0.00 WT5 H ATOM 53781 H2 TIP3 8679 36.974 69.690 12.616 1.00 0.00 WT5 H ATOM 53782 OH2 TIP3 8680 27.093 81.842 62.508 1.00 0.00 WT5 O ATOM 53783 H1 TIP3 8680 28.015 81.779 62.255 1.00 0.00 WT5 H ATOM 53784 H2 TIP3 8680 26.665 82.249 61.754 1.00 0.00 WT5 H ATOM 53785 OH2 TIP3 8683 59.368 75.153 3.894 1.00 0.00 WT5 O ATOM 53786 H1 TIP3 8683 60.292 74.911 3.841 1.00 0.00 WT5 H ATOM 53787 H2 TIP3 8683 59.069 74.780 4.724 1.00 0.00 WT5 H ATOM 53788 OH2 TIP3 8687 45.895 37.569 17.554 1.00 0.00 WT5 O ATOM 53789 H1 TIP3 8687 46.722 37.547 18.037 1.00 0.00 WT5 H ATOM 53790 H2 TIP3 8687 45.721 36.654 17.335 1.00 0.00 WT5 H ATOM 53791 OH2 TIP3 8688 67.525 6.948 5.814 1.00 0.00 WT5 O ATOM 53792 H1 TIP3 8688 68.164 7.640 5.645 1.00 0.00 WT5 H ATOM 53793 H2 TIP3 8688 66.877 7.045 5.115 1.00 0.00 WT5 H ATOM 53794 OH2 TIP3 8690 83.245 39.179 29.467 1.00 0.00 WT5 O ATOM 53795 H1 TIP3 8690 82.525 39.299 30.085 1.00 0.00 WT5 H ATOM 53796 H2 TIP3 8690 82.856 39.349 28.609 1.00 0.00 WT5 H ATOM 53797 OH2 TIP3 8691 85.725 48.083 4.415 1.00 0.00 WT5 O ATOM 53798 H1 TIP3 8691 85.333 47.341 4.875 1.00 0.00 WT5 H ATOM 53799 H2 TIP3 8691 85.509 48.843 4.955 1.00 0.00 WT5 H ATOM 53800 OH2 TIP3 8695 70.064 83.289 50.057 1.00 0.00 WT5 O ATOM 53801 H1 TIP3 8695 70.692 83.184 49.343 1.00 0.00 WT5 H ATOM 53802 H2 TIP3 8695 69.748 82.402 50.231 1.00 0.00 WT5 H ATOM 53803 OH2 TIP3 8699 49.164 82.926 41.832 1.00 0.00 WT5 O ATOM 53804 H1 TIP3 8699 48.598 82.928 41.060 1.00 0.00 WT5 H ATOM 53805 H2 TIP3 8699 49.281 81.999 42.041 1.00 0.00 WT5 H ATOM 53806 OH2 TIP3 8701 58.118 75.695 46.853 1.00 0.00 WT5 O ATOM 53807 H1 TIP3 8701 58.546 75.175 47.533 1.00 0.00 WT5 H ATOM 53808 H2 TIP3 8701 58.789 76.316 46.568 1.00 0.00 WT5 H ATOM 53809 OH2 TIP3 8711 89.804 90.119 47.719 1.00 0.00 WT5 O ATOM 53810 H1 TIP3 8711 89.535 89.206 47.823 1.00 0.00 WT5 H ATOM 53811 H2 TIP3 8711 90.373 90.115 46.948 1.00 0.00 WT5 H ATOM 53812 OH2 TIP3 8713 58.826 80.689 61.368 1.00 0.00 WT5 O ATOM 53813 H1 TIP3 8713 58.089 80.647 60.759 1.00 0.00 WT5 H ATOM 53814 H2 TIP3 8713 59.488 80.115 60.983 1.00 0.00 WT5 H ATOM 53815 OH2 TIP3 8721 31.615 63.330 -6.642 1.00 0.00 WT5 O ATOM 53816 H1 TIP3 8721 31.215 62.469 -6.767 1.00 0.00 WT5 H ATOM 53817 H2 TIP3 8721 30.902 63.950 -6.791 1.00 0.00 WT5 H ATOM 53818 OH2 TIP3 8722 32.665 83.284 12.074 1.00 0.00 WT5 O ATOM 53819 H1 TIP3 8722 31.821 83.195 11.631 1.00 0.00 WT5 H ATOM 53820 H2 TIP3 8722 32.966 84.163 11.844 1.00 0.00 WT5 H ATOM 53821 OH2 TIP3 8723 57.225 43.015 50.636 1.00 0.00 WT5 O ATOM 53822 H1 TIP3 8723 57.354 42.085 50.451 1.00 0.00 WT5 H ATOM 53823 H2 TIP3 8723 57.741 43.466 49.967 1.00 0.00 WT5 H ATOM 53824 OH2 TIP3 8732 28.873 29.029 -4.693 1.00 0.00 WT5 O ATOM 53825 H1 TIP3 8732 28.774 29.765 -5.296 1.00 0.00 WT5 H ATOM 53826 H2 TIP3 8732 29.736 29.156 -4.299 1.00 0.00 WT5 H ATOM 53827 OH2 TIP3 8748 64.153 59.727 45.222 1.00 0.00 WT5 O ATOM 53828 H1 TIP3 8748 64.324 59.091 45.916 1.00 0.00 WT5 H ATOM 53829 H2 TIP3 8748 63.202 59.828 45.217 1.00 0.00 WT5 H ATOM 53830 OH2 TIP3 8774 70.358 88.561 7.921 1.00 0.00 WT5 O ATOM 53831 H1 TIP3 8774 70.316 89.517 7.899 1.00 0.00 WT5 H ATOM 53832 H2 TIP3 8774 70.054 88.328 8.799 1.00 0.00 WT5 H ATOM 53833 OH2 TIP3 8780 62.587 41.134 55.906 1.00 0.00 WT5 O ATOM 53834 H1 TIP3 8780 62.411 42.029 55.617 1.00 0.00 WT5 H ATOM 53835 H2 TIP3 8780 61.817 40.637 55.629 1.00 0.00 WT5 H ATOM 53836 OH2 TIP3 8791 55.539 61.925 47.802 1.00 0.00 WT5 O ATOM 53837 H1 TIP3 8791 55.508 61.500 48.659 1.00 0.00 WT5 H ATOM 53838 H2 TIP3 8791 55.247 61.250 47.189 1.00 0.00 WT5 H ATOM 53839 OH2 TIP3 8800 49.480 40.021 6.674 1.00 0.00 WT5 O ATOM 53840 H1 TIP3 8800 49.741 40.232 7.570 1.00 0.00 WT5 H ATOM 53841 H2 TIP3 8800 49.433 40.869 6.232 1.00 0.00 WT5 H ATOM 53842 OH2 TIP3 8809 22.471 13.264 52.832 1.00 0.00 WT5 O ATOM 53843 H1 TIP3 8809 22.890 13.389 53.684 1.00 0.00 WT5 H ATOM 53844 H2 TIP3 8809 21.791 13.937 52.798 1.00 0.00 WT5 H ATOM 53845 OH2 TIP3 8813 32.996 80.420 11.084 1.00 0.00 WT5 O ATOM 53846 H1 TIP3 8813 33.184 81.276 11.469 1.00 0.00 WT5 H ATOM 53847 H2 TIP3 8813 33.444 79.796 11.656 1.00 0.00 WT5 H ATOM 53848 OH2 TIP3 8822 20.855 74.777 -6.042 1.00 0.00 WT5 O ATOM 53849 H1 TIP3 8822 20.985 75.181 -5.184 1.00 0.00 WT5 H ATOM 53850 H2 TIP3 8822 19.950 74.987 -6.272 1.00 0.00 WT5 H ATOM 53851 OH2 TIP3 8824 23.904 72.017 43.469 1.00 0.00 WT5 O ATOM 53852 H1 TIP3 8824 23.562 71.368 44.083 1.00 0.00 WT5 H ATOM 53853 H2 TIP3 8824 24.734 71.648 43.168 1.00 0.00 WT5 H ATOM 53854 OH2 TIP3 8829 61.128 85.140 -6.884 1.00 0.00 WT5 O ATOM 53855 H1 TIP3 8829 61.116 85.610 -6.050 1.00 0.00 WT5 H ATOM 53856 H2 TIP3 8829 60.326 85.418 -7.328 1.00 0.00 WT5 H ATOM 53857 OH2 TIP3 8833 55.592 25.788 -14.951 1.00 0.00 WT5 O ATOM 53858 H1 TIP3 8833 55.767 25.970 -15.874 1.00 0.00 WT5 H ATOM 53859 H2 TIP3 8833 55.034 26.512 -14.665 1.00 0.00 WT5 H ATOM 53860 OH2 TIP3 8841 36.801 32.424 -19.735 1.00 0.00 WT5 O ATOM 53861 H1 TIP3 8841 35.877 32.614 -19.896 1.00 0.00 WT5 H ATOM 53862 H2 TIP3 8841 37.234 33.276 -19.794 1.00 0.00 WT5 H ATOM 53863 OH2 TIP3 8845 80.771 64.388 15.937 1.00 0.00 WT5 O ATOM 53864 H1 TIP3 8845 81.105 64.501 15.047 1.00 0.00 WT5 H ATOM 53865 H2 TIP3 8845 81.348 63.733 16.329 1.00 0.00 WT5 H ATOM 53866 OH2 TIP3 8851 48.478 2.280 19.101 1.00 0.00 WT5 O ATOM 53867 H1 TIP3 8851 49.198 2.371 18.476 1.00 0.00 WT5 H ATOM 53868 H2 TIP3 8851 47.693 2.226 18.555 1.00 0.00 WT5 H ATOM 53869 OH2 TIP3 8855 74.257 46.813 -17.859 1.00 0.00 WT5 O ATOM 53870 H1 TIP3 8855 75.014 46.355 -17.494 1.00 0.00 WT5 H ATOM 53871 H2 TIP3 8855 74.631 47.443 -18.474 1.00 0.00 WT5 H ATOM 53872 OH2 TIP3 8860 42.961 86.300 50.957 1.00 0.00 WT5 O ATOM 53873 H1 TIP3 8860 42.249 86.315 50.317 1.00 0.00 WT5 H ATOM 53874 H2 TIP3 8860 43.579 85.656 50.613 1.00 0.00 WT5 H ATOM 53875 OH2 TIP3 8864 58.957 9.983 -18.907 1.00 0.00 WT5 O ATOM 53876 H1 TIP3 8864 59.357 10.711 -19.384 1.00 0.00 WT5 H ATOM 53877 H2 TIP3 8864 58.160 9.784 -19.399 1.00 0.00 WT5 H ATOM 53878 OH2 TIP3 8870 78.566 55.584 4.422 1.00 0.00 WT5 O ATOM 53879 H1 TIP3 8870 78.130 55.447 5.264 1.00 0.00 WT5 H ATOM 53880 H2 TIP3 8870 79.469 55.801 4.653 1.00 0.00 WT5 H ATOM 53881 OH2 TIP3 8872 82.039 54.530 9.908 1.00 0.00 WT5 O ATOM 53882 H1 TIP3 8872 81.198 54.094 10.045 1.00 0.00 WT5 H ATOM 53883 H2 TIP3 8872 82.540 54.339 10.701 1.00 0.00 WT5 H ATOM 53884 OH2 TIP3 8876 29.583 65.345 -6.819 1.00 0.00 WT5 O ATOM 53885 H1 TIP3 8876 30.270 65.586 -6.196 1.00 0.00 WT5 H ATOM 53886 H2 TIP3 8876 28.770 65.627 -6.400 1.00 0.00 WT5 H ATOM 53887 OH2 TIP3 8877 75.537 44.440 54.779 1.00 0.00 WT5 O ATOM 53888 H1 TIP3 8877 75.484 45.200 55.360 1.00 0.00 WT5 H ATOM 53889 H2 TIP3 8877 75.845 44.797 53.946 1.00 0.00 WT5 H ATOM 53890 OH2 TIP3 8879 81.398 34.449 33.848 1.00 0.00 WT5 O ATOM 53891 H1 TIP3 8879 82.213 34.701 34.282 1.00 0.00 WT5 H ATOM 53892 H2 TIP3 8879 81.037 33.754 34.399 1.00 0.00 WT5 H ATOM 53893 OH2 TIP3 8890 30.216 36.890 11.528 1.00 0.00 WT5 O ATOM 53894 H1 TIP3 8890 30.993 37.403 11.307 1.00 0.00 WT5 H ATOM 53895 H2 TIP3 8890 30.510 35.980 11.489 1.00 0.00 WT5 H ATOM 53896 OH2 TIP3 8892 55.185 54.097 3.034 1.00 0.00 WT5 O ATOM 53897 H1 TIP3 8892 55.743 54.562 3.658 1.00 0.00 WT5 H ATOM 53898 H2 TIP3 8892 54.392 54.630 2.978 1.00 0.00 WT5 H ATOM 53899 OH2 TIP3 8893 43.262 16.446 -1.872 1.00 0.00 WT5 O ATOM 53900 H1 TIP3 8893 43.970 15.830 -2.060 1.00 0.00 WT5 H ATOM 53901 H2 TIP3 8893 43.495 16.828 -1.025 1.00 0.00 WT5 H ATOM 53902 OH2 TIP3 8894 88.889 58.864 -1.564 1.00 0.00 WT5 O ATOM 53903 H1 TIP3 8894 89.219 59.075 -0.690 1.00 0.00 WT5 H ATOM 53904 H2 TIP3 8894 88.029 58.473 -1.408 1.00 0.00 WT5 H ATOM 53905 OH2 TIP3 8904 25.293 12.847 32.304 1.00 0.00 WT5 O ATOM 53906 H1 TIP3 8904 26.143 12.745 32.733 1.00 0.00 WT5 H ATOM 53907 H2 TIP3 8904 25.463 12.648 31.384 1.00 0.00 WT5 H ATOM 53908 OH2 TIP3 8920 54.242 89.619 -9.786 1.00 0.00 WT5 O ATOM 53909 H1 TIP3 8920 53.302 89.507 -9.930 1.00 0.00 WT5 H ATOM 53910 H2 TIP3 8920 54.608 88.742 -9.900 1.00 0.00 WT5 H ATOM 53911 OH2 TIP3 8927 26.388 59.746 -6.676 1.00 0.00 WT5 O ATOM 53912 H1 TIP3 8927 26.087 60.655 -6.662 1.00 0.00 WT5 H ATOM 53913 H2 TIP3 8927 27.318 59.798 -6.456 1.00 0.00 WT5 H ATOM 53914 OH2 TIP3 8935 30.659 93.456 -16.076 1.00 0.00 WT5 O ATOM 53915 H1 TIP3 8935 31.445 92.909 -16.070 1.00 0.00 WT5 H ATOM 53916 H2 TIP3 8935 29.934 92.833 -16.027 1.00 0.00 WT5 H ATOM 53917 OH2 TIP3 8937 60.586 78.482 21.591 1.00 0.00 WT5 O ATOM 53918 H1 TIP3 8937 61.245 78.538 20.898 1.00 0.00 WT5 H ATOM 53919 H2 TIP3 8937 59.881 79.059 21.298 1.00 0.00 WT5 H ATOM 53920 OH2 TIP3 8938 78.710 16.605 60.290 1.00 0.00 WT5 O ATOM 53921 H1 TIP3 8938 79.322 16.256 59.641 1.00 0.00 WT5 H ATOM 53922 H2 TIP3 8938 79.268 16.908 61.007 1.00 0.00 WT5 H ATOM 53923 OH2 TIP3 8939 86.485 66.176 -7.789 1.00 0.00 WT5 O ATOM 53924 H1 TIP3 8939 85.868 66.105 -8.517 1.00 0.00 WT5 H ATOM 53925 H2 TIP3 8939 86.742 67.098 -7.782 1.00 0.00 WT5 H ATOM 53926 OH2 TIP3 8942 65.549 83.170 29.773 1.00 0.00 WT5 O ATOM 53927 H1 TIP3 8942 64.643 83.023 29.501 1.00 0.00 WT5 H ATOM 53928 H2 TIP3 8942 66.035 82.439 29.392 1.00 0.00 WT5 H ATOM 53929 OH2 TIP3 8956 40.165 90.179 43.687 1.00 0.00 WT5 O ATOM 53930 H1 TIP3 8956 40.538 90.631 44.444 1.00 0.00 WT5 H ATOM 53931 H2 TIP3 8956 40.154 89.256 43.939 1.00 0.00 WT5 H ATOM 53932 OH2 TIP3 8960 40.985 7.255 17.712 1.00 0.00 WT5 O ATOM 53933 H1 TIP3 8960 40.861 7.604 18.594 1.00 0.00 WT5 H ATOM 53934 H2 TIP3 8960 40.322 6.570 17.629 1.00 0.00 WT5 H ATOM 53935 OH2 TIP3 8964 81.705 36.618 65.892 1.00 0.00 WT5 O ATOM 53936 H1 TIP3 8964 81.551 36.568 64.949 1.00 0.00 WT5 H ATOM 53937 H2 TIP3 8964 81.912 37.538 66.054 1.00 0.00 WT5 H ATOM 53938 OH2 TIP3 8972 65.046 43.834 8.727 1.00 0.00 WT5 O ATOM 53939 H1 TIP3 8972 64.940 44.190 9.609 1.00 0.00 WT5 H ATOM 53940 H2 TIP3 8972 65.709 43.149 8.822 1.00 0.00 WT5 H ATOM 53941 OH2 TIP3 8973 24.998 27.855 -8.568 1.00 0.00 WT5 O ATOM 53942 H1 TIP3 8973 25.930 27.930 -8.774 1.00 0.00 WT5 H ATOM 53943 H2 TIP3 8973 24.825 28.581 -7.969 1.00 0.00 WT5 H ATOM 53944 OH2 TIP3 8977 60.959 13.360 39.838 1.00 0.00 WT5 O ATOM 53945 H1 TIP3 8977 61.657 13.749 39.311 1.00 0.00 WT5 H ATOM 53946 H2 TIP3 8977 60.208 13.939 39.709 1.00 0.00 WT5 H ATOM 53947 OH2 TIP3 8982 76.495 39.465 -7.937 1.00 0.00 WT5 O ATOM 53948 H1 TIP3 8982 76.121 38.685 -8.345 1.00 0.00 WT5 H ATOM 53949 H2 TIP3 8982 77.130 39.790 -8.576 1.00 0.00 WT5 H ATOM 53950 OH2 TIP3 8984 69.624 20.373 53.271 1.00 0.00 WT5 O ATOM 53951 H1 TIP3 8984 70.280 19.981 53.847 1.00 0.00 WT5 H ATOM 53952 H2 TIP3 8984 69.337 21.160 53.735 1.00 0.00 WT5 H ATOM 53953 OH2 TIP3 8988 32.927 53.933 3.205 1.00 0.00 WT5 O ATOM 53954 H1 TIP3 8988 33.388 53.100 3.304 1.00 0.00 WT5 H ATOM 53955 H2 TIP3 8988 33.486 54.450 2.625 1.00 0.00 WT5 H ATOM 53956 OH2 TIP3 9005 35.924 35.120 59.218 1.00 0.00 WT5 O ATOM 53957 H1 TIP3 9005 36.853 35.315 59.335 1.00 0.00 WT5 H ATOM 53958 H2 TIP3 9005 35.904 34.203 58.943 1.00 0.00 WT5 H ATOM 53959 OH2 TIP3 9012 23.190 34.560 -6.042 1.00 0.00 WT5 O ATOM 53960 H1 TIP3 9012 23.440 34.907 -5.185 1.00 0.00 WT5 H ATOM 53961 H2 TIP3 9012 22.412 35.062 -6.286 1.00 0.00 WT5 H ATOM 53962 OH2 TIP3 9017 37.616 41.960 -2.062 1.00 0.00 WT5 O ATOM 53963 H1 TIP3 9017 38.105 42.706 -2.410 1.00 0.00 WT5 H ATOM 53964 H2 TIP3 9017 36.742 42.046 -2.443 1.00 0.00 WT5 H ATOM 53965 OH2 TIP3 9022 52.619 15.545 34.599 1.00 0.00 WT5 O ATOM 53966 H1 TIP3 9022 51.882 15.794 35.157 1.00 0.00 WT5 H ATOM 53967 H2 TIP3 9022 53.059 14.844 35.080 1.00 0.00 WT5 H ATOM 53968 OH2 TIP3 9029 90.641 37.435 34.329 1.00 0.00 WT5 O ATOM 53969 H1 TIP3 9029 90.852 37.387 33.397 1.00 0.00 WT5 H ATOM 53970 H2 TIP3 9029 90.159 38.257 34.424 1.00 0.00 WT5 H ATOM 53971 OH2 TIP3 9035 59.140 60.478 39.231 1.00 0.00 WT5 O ATOM 53972 H1 TIP3 9035 59.470 59.817 38.622 1.00 0.00 WT5 H ATOM 53973 H2 TIP3 9035 58.339 60.096 39.590 1.00 0.00 WT5 H ATOM 53974 OH2 TIP3 9047 75.997 38.017 41.054 1.00 0.00 WT5 O ATOM 53975 H1 TIP3 9047 75.148 38.046 41.495 1.00 0.00 WT5 H ATOM 53976 H2 TIP3 9047 76.423 38.838 41.299 1.00 0.00 WT5 H ATOM 53977 OH2 TIP3 9049 90.543 64.258 61.030 1.00 0.00 WT5 O ATOM 53978 H1 TIP3 9049 89.771 64.808 61.160 1.00 0.00 WT5 H ATOM 53979 H2 TIP3 9049 90.741 64.340 60.097 1.00 0.00 WT5 H ATOM 53980 OH2 TIP3 9055 41.277 6.490 40.979 1.00 0.00 WT5 O ATOM 53981 H1 TIP3 9055 42.044 6.334 41.530 1.00 0.00 WT5 H ATOM 53982 H2 TIP3 9055 41.601 7.045 40.269 1.00 0.00 WT5 H ATOM 53983 OH2 TIP3 9063 52.425 14.610 -9.314 1.00 0.00 WT5 O ATOM 53984 H1 TIP3 9063 51.548 14.977 -9.202 1.00 0.00 WT5 H ATOM 53985 H2 TIP3 9063 52.580 14.111 -8.512 1.00 0.00 WT5 H ATOM 53986 OH2 TIP3 9064 79.442 83.180 18.417 1.00 0.00 WT5 O ATOM 53987 H1 TIP3 9064 78.686 82.729 18.793 1.00 0.00 WT5 H ATOM 53988 H2 TIP3 9064 79.880 82.514 17.887 1.00 0.00 WT5 H ATOM 53989 OH2 TIP3 9065 34.086 64.918 28.647 1.00 0.00 WT5 O ATOM 53990 H1 TIP3 9065 34.356 65.798 28.384 1.00 0.00 WT5 H ATOM 53991 H2 TIP3 9065 34.902 64.418 28.685 1.00 0.00 WT5 H ATOM 53992 OH2 TIP3 9068 50.038 31.168 -14.728 1.00 0.00 WT5 O ATOM 53993 H1 TIP3 9068 49.598 31.341 -13.896 1.00 0.00 WT5 H ATOM 53994 H2 TIP3 9068 49.675 31.817 -15.331 1.00 0.00 WT5 H ATOM 53995 OH2 TIP3 9073 75.920 53.565 40.177 1.00 0.00 WT5 O ATOM 53996 H1 TIP3 9073 75.411 54.310 39.858 1.00 0.00 WT5 H ATOM 53997 H2 TIP3 9073 75.547 52.808 39.724 1.00 0.00 WT5 H ATOM 53998 OH2 TIP3 9077 35.711 73.948 59.730 1.00 0.00 WT5 O ATOM 53999 H1 TIP3 9077 34.985 73.834 59.118 1.00 0.00 WT5 H ATOM 54000 H2 TIP3 9077 35.758 73.118 60.204 1.00 0.00 WT5 H ATOM 54001 OH2 TIP3 9085 34.804 72.567 46.635 1.00 0.00 WT5 O ATOM 54002 H1 TIP3 9085 35.715 72.505 46.920 1.00 0.00 WT5 H ATOM 54003 H2 TIP3 9085 34.855 72.620 45.680 1.00 0.00 WT5 H ATOM 54004 OH2 TIP3 9091 35.198 22.853 12.658 1.00 0.00 WT5 O ATOM 54005 H1 TIP3 9091 34.587 22.472 13.288 1.00 0.00 WT5 H ATOM 54006 H2 TIP3 9091 35.963 22.279 12.687 1.00 0.00 WT5 H ATOM 54007 OH2 TIP3 9096 33.034 64.574 -18.120 1.00 0.00 WT5 O ATOM 54008 H1 TIP3 9096 32.590 65.420 -18.170 1.00 0.00 WT5 H ATOM 54009 H2 TIP3 9096 33.758 64.718 -17.510 1.00 0.00 WT5 H ATOM 54010 OH2 TIP3 9097 37.491 18.569 7.369 1.00 0.00 WT5 O ATOM 54011 H1 TIP3 9097 38.012 19.143 7.929 1.00 0.00 WT5 H ATOM 54012 H2 TIP3 9097 37.788 17.686 7.588 1.00 0.00 WT5 H ATOM 54013 OH2 TIP3 9102 71.130 50.688 4.962 1.00 0.00 WT5 O ATOM 54014 H1 TIP3 9102 71.268 49.856 5.414 1.00 0.00 WT5 H ATOM 54015 H2 TIP3 9102 70.183 50.822 4.989 1.00 0.00 WT5 H ATOM 54016 OH2 TIP3 9116 32.599 37.001 35.342 1.00 0.00 WT5 O ATOM 54017 H1 TIP3 9116 33.080 36.532 34.660 1.00 0.00 WT5 H ATOM 54018 H2 TIP3 9116 31.682 36.771 35.191 1.00 0.00 WT5 H ATOM 54019 OH2 TIP3 9118 72.461 9.606 62.142 1.00 0.00 WT5 O ATOM 54020 H1 TIP3 9118 72.527 8.917 62.803 1.00 0.00 WT5 H ATOM 54021 H2 TIP3 9118 72.826 10.382 62.567 1.00 0.00 WT5 H ATOM 54022 OH2 TIP3 9124 43.384 33.684 -0.150 1.00 0.00 WT5 O ATOM 54023 H1 TIP3 9124 43.175 34.454 -0.679 1.00 0.00 WT5 H ATOM 54024 H2 TIP3 9124 43.307 32.948 -0.757 1.00 0.00 WT5 H ATOM 54025 OH2 TIP3 9125 50.016 60.390 -17.832 1.00 0.00 WT5 O ATOM 54026 H1 TIP3 9125 50.928 60.616 -17.649 1.00 0.00 WT5 H ATOM 54027 H2 TIP3 9125 49.948 60.420 -18.786 1.00 0.00 WT5 H ATOM 54028 OH2 TIP3 9133 68.173 46.294 31.686 1.00 0.00 WT5 O ATOM 54029 H1 TIP3 9133 67.849 45.629 31.079 1.00 0.00 WT5 H ATOM 54030 H2 TIP3 9133 67.714 47.095 31.433 1.00 0.00 WT5 H ATOM 54031 OH2 TIP3 9143 42.963 63.090 38.353 1.00 0.00 WT5 O ATOM 54032 H1 TIP3 9143 43.139 62.672 39.196 1.00 0.00 WT5 H ATOM 54033 H2 TIP3 9143 43.070 62.389 37.710 1.00 0.00 WT5 H ATOM 54034 OH2 TIP3 9144 77.908 85.223 9.031 1.00 0.00 WT5 O ATOM 54035 H1 TIP3 9144 78.338 85.603 9.796 1.00 0.00 WT5 H ATOM 54036 H2 TIP3 9144 78.561 84.631 8.657 1.00 0.00 WT5 H ATOM 54037 OH2 TIP3 9157 85.795 18.331 -15.111 1.00 0.00 WT5 O ATOM 54038 H1 TIP3 9157 86.291 17.951 -14.386 1.00 0.00 WT5 H ATOM 54039 H2 TIP3 9157 85.861 19.277 -14.977 1.00 0.00 WT5 H ATOM 54040 OH2 TIP3 9158 40.308 12.269 17.088 1.00 0.00 WT5 O ATOM 54041 H1 TIP3 9158 40.139 13.146 17.432 1.00 0.00 WT5 H ATOM 54042 H2 TIP3 9158 40.045 12.317 16.169 1.00 0.00 WT5 H ATOM 54043 OH2 TIP3 9162 77.563 35.602 55.163 1.00 0.00 WT5 O ATOM 54044 H1 TIP3 9162 77.329 34.849 55.707 1.00 0.00 WT5 H ATOM 54045 H2 TIP3 9162 78.312 35.302 54.648 1.00 0.00 WT5 H ATOM 54046 OH2 TIP3 9171 81.376 62.723 2.728 1.00 0.00 WT5 O ATOM 54047 H1 TIP3 9171 81.591 63.653 2.803 1.00 0.00 WT5 H ATOM 54048 H2 TIP3 9171 81.494 62.524 1.799 1.00 0.00 WT5 H ATOM 54049 OH2 TIP3 9178 84.554 35.709 -11.979 1.00 0.00 WT5 O ATOM 54050 H1 TIP3 9178 84.687 35.659 -12.925 1.00 0.00 WT5 H ATOM 54051 H2 TIP3 9178 84.079 36.530 -11.847 1.00 0.00 WT5 H ATOM 54052 OH2 TIP3 9179 86.251 34.491 4.052 1.00 0.00 WT5 O ATOM 54053 H1 TIP3 9179 87.077 34.509 4.535 1.00 0.00 WT5 H ATOM 54054 H2 TIP3 9179 85.713 35.163 4.472 1.00 0.00 WT5 H ATOM 54055 OH2 TIP3 9182 35.296 62.319 32.393 1.00 0.00 WT5 O ATOM 54056 H1 TIP3 9182 35.581 61.448 32.669 1.00 0.00 WT5 H ATOM 54057 H2 TIP3 9182 36.106 62.823 32.314 1.00 0.00 WT5 H ATOM 54058 OH2 TIP3 9183 64.777 71.646 -3.630 1.00 0.00 WT5 O ATOM 54059 H1 TIP3 9183 63.855 71.434 -3.484 1.00 0.00 WT5 H ATOM 54060 H2 TIP3 9183 64.808 72.602 -3.622 1.00 0.00 WT5 H ATOM 54061 OH2 TIP3 9184 68.635 50.335 14.900 1.00 0.00 WT5 O ATOM 54062 H1 TIP3 9184 67.694 50.246 14.753 1.00 0.00 WT5 H ATOM 54063 H2 TIP3 9184 68.775 49.987 15.781 1.00 0.00 WT5 H ATOM 54064 OH2 TIP3 9188 23.298 7.456 33.685 1.00 0.00 WT5 O ATOM 54065 H1 TIP3 9188 24.082 7.468 33.136 1.00 0.00 WT5 H ATOM 54066 H2 TIP3 9188 23.301 8.306 34.126 1.00 0.00 WT5 H ATOM 54067 OH2 TIP3 9198 75.285 22.372 58.943 1.00 0.00 WT5 O ATOM 54068 H1 TIP3 9198 75.858 22.427 59.708 1.00 0.00 WT5 H ATOM 54069 H2 TIP3 9198 75.757 21.811 58.328 1.00 0.00 WT5 H ATOM 54070 OH2 TIP3 9211 28.507 6.267 19.842 1.00 0.00 WT5 O ATOM 54071 H1 TIP3 9211 29.097 6.841 20.330 1.00 0.00 WT5 H ATOM 54072 H2 TIP3 9211 27.791 6.084 20.450 1.00 0.00 WT5 H ATOM 54073 OH2 TIP3 9218 37.255 23.926 -13.992 1.00 0.00 WT5 O ATOM 54074 H1 TIP3 9218 37.858 23.289 -13.608 1.00 0.00 WT5 H ATOM 54075 H2 TIP3 9218 36.500 23.927 -13.404 1.00 0.00 WT5 H ATOM 54076 OH2 TIP3 9223 37.953 81.567 -1.010 1.00 0.00 WT5 O ATOM 54077 H1 TIP3 9223 37.851 82.116 -1.787 1.00 0.00 WT5 H ATOM 54078 H2 TIP3 9223 38.853 81.720 -0.724 1.00 0.00 WT5 H ATOM 54079 OH2 TIP3 9227 33.433 9.213 -0.137 1.00 0.00 WT5 O ATOM 54080 H1 TIP3 9227 33.356 9.944 -0.750 1.00 0.00 WT5 H ATOM 54081 H2 TIP3 9227 34.133 9.473 0.461 1.00 0.00 WT5 H ATOM 54082 OH2 TIP3 9250 46.536 83.698 14.435 1.00 0.00 WT5 O ATOM 54083 H1 TIP3 9250 46.124 83.422 15.254 1.00 0.00 WT5 H ATOM 54084 H2 TIP3 9250 47.400 83.285 14.451 1.00 0.00 WT5 H ATOM 54085 OH2 TIP3 9254 83.199 43.553 6.114 1.00 0.00 WT5 O ATOM 54086 H1 TIP3 9254 83.187 42.809 5.512 1.00 0.00 WT5 H ATOM 54087 H2 TIP3 9254 83.419 43.172 6.964 1.00 0.00 WT5 H ATOM 54088 OH2 TIP3 2 23.399 53.032 33.357 1.00 0.00 WT6 O ATOM 54089 H1 TIP3 2 22.630 52.491 33.538 1.00 0.00 WT6 H ATOM 54090 H2 TIP3 2 23.335 53.236 32.424 1.00 0.00 WT6 H ATOM 54091 OH2 TIP3 5 68.330 7.941 53.435 1.00 0.00 WT6 O ATOM 54092 H1 TIP3 5 68.379 7.866 52.482 1.00 0.00 WT6 H ATOM 54093 H2 TIP3 5 68.802 8.749 53.637 1.00 0.00 WT6 H ATOM 54094 OH2 TIP3 40 55.949 84.638 62.557 1.00 0.00 WT6 O ATOM 54095 H1 TIP3 40 56.620 84.443 63.211 1.00 0.00 WT6 H ATOM 54096 H2 TIP3 40 55.196 84.936 63.067 1.00 0.00 WT6 H ATOM 54097 OH2 TIP3 44 71.107 88.935 22.305 1.00 0.00 WT6 O ATOM 54098 H1 TIP3 44 70.455 89.019 23.000 1.00 0.00 WT6 H ATOM 54099 H2 TIP3 44 71.342 89.836 22.086 1.00 0.00 WT6 H ATOM 54100 OH2 TIP3 48 31.923 46.920 -0.855 1.00 0.00 WT6 O ATOM 54101 H1 TIP3 48 31.624 46.390 -0.116 1.00 0.00 WT6 H ATOM 54102 H2 TIP3 48 31.417 46.599 -1.601 1.00 0.00 WT6 H ATOM 54103 OH2 TIP3 65 35.155 17.605 49.696 1.00 0.00 WT6 O ATOM 54104 H1 TIP3 65 35.879 17.329 49.134 1.00 0.00 WT6 H ATOM 54105 H2 TIP3 65 34.557 18.065 49.107 1.00 0.00 WT6 H ATOM 54106 OH2 TIP3 67 47.116 63.044 12.976 1.00 0.00 WT6 O ATOM 54107 H1 TIP3 67 47.651 62.642 12.291 1.00 0.00 WT6 H ATOM 54108 H2 TIP3 67 47.396 63.959 12.992 1.00 0.00 WT6 H ATOM 54109 OH2 TIP3 87 70.226 41.323 36.888 1.00 0.00 WT6 O ATOM 54110 H1 TIP3 87 70.534 41.359 35.982 1.00 0.00 WT6 H ATOM 54111 H2 TIP3 87 69.484 41.927 36.913 1.00 0.00 WT6 H ATOM 54112 OH2 TIP3 113 57.091 48.262 65.252 1.00 0.00 WT6 O ATOM 54113 H1 TIP3 113 56.412 48.256 65.926 1.00 0.00 WT6 H ATOM 54114 H2 TIP3 113 56.643 47.975 64.456 1.00 0.00 WT6 H ATOM 54115 OH2 TIP3 149 65.535 16.174 -12.593 1.00 0.00 WT6 O ATOM 54116 H1 TIP3 149 66.259 15.769 -12.115 1.00 0.00 WT6 H ATOM 54117 H2 TIP3 149 65.753 17.106 -12.614 1.00 0.00 WT6 H ATOM 54118 OH2 TIP3 150 50.220 33.639 -6.690 1.00 0.00 WT6 O ATOM 54119 H1 TIP3 150 49.496 33.532 -6.073 1.00 0.00 WT6 H ATOM 54120 H2 TIP3 150 51.003 33.434 -6.179 1.00 0.00 WT6 H ATOM 54121 OH2 TIP3 167 89.278 90.737 -6.094 1.00 0.00 WT6 O ATOM 54122 H1 TIP3 167 90.042 90.876 -6.653 1.00 0.00 WT6 H ATOM 54123 H2 TIP3 167 89.203 89.786 -6.022 1.00 0.00 WT6 H ATOM 54124 OH2 TIP3 174 67.456 49.662 51.260 1.00 0.00 WT6 O ATOM 54125 H1 TIP3 174 67.726 50.528 50.954 1.00 0.00 WT6 H ATOM 54126 H2 TIP3 174 67.891 49.051 50.666 1.00 0.00 WT6 H ATOM 54127 OH2 TIP3 175 41.910 30.958 -17.995 1.00 0.00 WT6 O ATOM 54128 H1 TIP3 175 42.311 30.216 -17.540 1.00 0.00 WT6 H ATOM 54129 H2 TIP3 175 40.971 30.857 -17.836 1.00 0.00 WT6 H ATOM 54130 OH2 TIP3 178 20.916 93.074 -15.000 1.00 0.00 WT6 O ATOM 54131 H1 TIP3 178 21.423 92.674 -15.707 1.00 0.00 WT6 H ATOM 54132 H2 TIP3 178 21.574 93.356 -14.364 1.00 0.00 WT6 H ATOM 54133 OH2 TIP3 189 50.950 10.925 34.951 1.00 0.00 WT6 O ATOM 54134 H1 TIP3 189 51.876 10.935 34.708 1.00 0.00 WT6 H ATOM 54135 H2 TIP3 189 50.857 11.649 35.570 1.00 0.00 WT6 H ATOM 54136 OH2 TIP3 191 20.539 43.426 -2.719 1.00 0.00 WT6 O ATOM 54137 H1 TIP3 191 21.019 43.811 -1.986 1.00 0.00 WT6 H ATOM 54138 H2 TIP3 191 19.678 43.217 -2.358 1.00 0.00 WT6 H ATOM 54139 OH2 TIP3 194 22.082 40.982 -17.198 1.00 0.00 WT6 O ATOM 54140 H1 TIP3 194 22.557 40.649 -16.436 1.00 0.00 WT6 H ATOM 54141 H2 TIP3 194 22.768 41.247 -17.811 1.00 0.00 WT6 H ATOM 54142 OH2 TIP3 195 24.627 30.294 -10.123 1.00 0.00 WT6 O ATOM 54143 H1 TIP3 195 24.105 29.793 -9.496 1.00 0.00 WT6 H ATOM 54144 H2 TIP3 195 24.467 29.865 -10.964 1.00 0.00 WT6 H ATOM 54145 OH2 TIP3 196 39.085 5.348 39.685 1.00 0.00 WT6 O ATOM 54146 H1 TIP3 196 39.684 6.077 39.848 1.00 0.00 WT6 H ATOM 54147 H2 TIP3 196 38.343 5.744 39.229 1.00 0.00 WT6 H ATOM 54148 OH2 TIP3 237 76.626 0.522 -6.163 1.00 0.00 WT6 O ATOM 54149 H1 TIP3 237 77.230 -0.110 -5.774 1.00 0.00 WT6 H ATOM 54150 H2 TIP3 237 77.172 1.281 -6.368 1.00 0.00 WT6 H ATOM 54151 OH2 TIP3 303 83.427 34.010 -17.642 1.00 0.00 WT6 O ATOM 54152 H1 TIP3 303 84.343 34.234 -17.475 1.00 0.00 WT6 H ATOM 54153 H2 TIP3 303 83.014 34.842 -17.870 1.00 0.00 WT6 H ATOM 54154 OH2 TIP3 338 75.062 8.928 37.803 1.00 0.00 WT6 O ATOM 54155 H1 TIP3 338 74.514 8.149 37.890 1.00 0.00 WT6 H ATOM 54156 H2 TIP3 338 74.564 9.509 37.227 1.00 0.00 WT6 H ATOM 54157 OH2 TIP3 344 83.193 74.994 14.387 1.00 0.00 WT6 O ATOM 54158 H1 TIP3 344 82.529 75.385 14.955 1.00 0.00 WT6 H ATOM 54159 H2 TIP3 344 83.514 74.239 14.879 1.00 0.00 WT6 H ATOM 54160 OH2 TIP3 384 89.186 48.592 26.716 1.00 0.00 WT6 O ATOM 54161 H1 TIP3 384 88.776 48.545 25.853 1.00 0.00 WT6 H ATOM 54162 H2 TIP3 384 89.061 49.499 26.993 1.00 0.00 WT6 H ATOM 54163 OH2 TIP3 401 56.611 17.426 59.074 1.00 0.00 WT6 O ATOM 54164 H1 TIP3 401 57.535 17.255 58.889 1.00 0.00 WT6 H ATOM 54165 H2 TIP3 401 56.598 17.708 59.989 1.00 0.00 WT6 H ATOM 54166 OH2 TIP3 416 28.476 58.012 67.445 1.00 0.00 WT6 O ATOM 54167 H1 TIP3 416 28.544 57.132 67.074 1.00 0.00 WT6 H ATOM 54168 H2 TIP3 416 28.301 58.576 66.692 1.00 0.00 WT6 H ATOM 54169 OH2 TIP3 425 21.741 71.816 46.369 1.00 0.00 WT6 O ATOM 54170 H1 TIP3 425 22.288 71.329 45.753 1.00 0.00 WT6 H ATOM 54171 H2 TIP3 425 21.354 72.518 45.845 1.00 0.00 WT6 H ATOM 54172 OH2 TIP3 460 24.484 37.267 47.246 1.00 0.00 WT6 O ATOM 54173 H1 TIP3 460 24.749 38.173 47.086 1.00 0.00 WT6 H ATOM 54174 H2 TIP3 460 25.195 36.741 46.880 1.00 0.00 WT6 H ATOM 54175 OH2 TIP3 470 79.430 5.423 9.178 1.00 0.00 WT6 O ATOM 54176 H1 TIP3 470 78.809 5.022 8.570 1.00 0.00 WT6 H ATOM 54177 H2 TIP3 470 79.509 4.791 9.892 1.00 0.00 WT6 H ATOM 54178 OH2 TIP3 472 65.239 64.997 -0.468 1.00 0.00 WT6 O ATOM 54179 H1 TIP3 472 64.303 64.995 -0.670 1.00 0.00 WT6 H ATOM 54180 H2 TIP3 472 65.372 65.794 0.045 1.00 0.00 WT6 H ATOM 54181 OH2 TIP3 485 90.444 95.745 46.129 1.00 0.00 WT6 O ATOM 54182 H1 TIP3 485 89.767 95.876 46.792 1.00 0.00 WT6 H ATOM 54183 H2 TIP3 485 90.368 96.506 45.554 1.00 0.00 WT6 H ATOM 54184 OH2 TIP3 486 43.378 91.781 60.843 1.00 0.00 WT6 O ATOM 54185 H1 TIP3 486 42.696 91.708 60.176 1.00 0.00 WT6 H ATOM 54186 H2 TIP3 486 44.016 91.108 60.609 1.00 0.00 WT6 H ATOM 54187 OH2 TIP3 489 52.744 14.100 25.417 1.00 0.00 WT6 O ATOM 54188 H1 TIP3 489 52.646 13.596 24.609 1.00 0.00 WT6 H ATOM 54189 H2 TIP3 489 51.921 14.582 25.500 1.00 0.00 WT6 H ATOM 54190 OH2 TIP3 503 33.935 73.428 -16.512 1.00 0.00 WT6 O ATOM 54191 H1 TIP3 503 33.856 74.240 -17.013 1.00 0.00 WT6 H ATOM 54192 H2 TIP3 503 33.896 73.706 -15.597 1.00 0.00 WT6 H ATOM 54193 OH2 TIP3 506 32.580 7.987 -2.725 1.00 0.00 WT6 O ATOM 54194 H1 TIP3 506 32.522 8.824 -2.264 1.00 0.00 WT6 H ATOM 54195 H2 TIP3 506 33.092 7.427 -2.141 1.00 0.00 WT6 H ATOM 54196 OH2 TIP3 509 52.274 59.252 -11.541 1.00 0.00 WT6 O ATOM 54197 H1 TIP3 509 51.967 59.656 -10.729 1.00 0.00 WT6 H ATOM 54198 H2 TIP3 509 53.165 59.584 -11.652 1.00 0.00 WT6 H ATOM 54199 OH2 TIP3 511 78.959 61.309 40.986 1.00 0.00 WT6 O ATOM 54200 H1 TIP3 511 79.443 61.778 40.307 1.00 0.00 WT6 H ATOM 54201 H2 TIP3 511 78.106 61.742 41.014 1.00 0.00 WT6 H ATOM 54202 OH2 TIP3 548 30.522 78.233 51.079 1.00 0.00 WT6 O ATOM 54203 H1 TIP3 548 31.142 78.949 51.221 1.00 0.00 WT6 H ATOM 54204 H2 TIP3 548 30.932 77.692 50.404 1.00 0.00 WT6 H ATOM 54205 OH2 TIP3 550 81.578 88.584 55.702 1.00 0.00 WT6 O ATOM 54206 H1 TIP3 550 80.848 87.974 55.806 1.00 0.00 WT6 H ATOM 54207 H2 TIP3 550 81.480 89.201 56.427 1.00 0.00 WT6 H ATOM 54208 OH2 TIP3 551 56.873 38.639 62.862 1.00 0.00 WT6 O ATOM 54209 H1 TIP3 551 57.381 39.450 62.851 1.00 0.00 WT6 H ATOM 54210 H2 TIP3 551 56.306 38.700 62.093 1.00 0.00 WT6 H ATOM 54211 OH2 TIP3 562 71.696 41.325 46.293 1.00 0.00 WT6 O ATOM 54212 H1 TIP3 562 72.612 41.535 46.112 1.00 0.00 WT6 H ATOM 54213 H2 TIP3 562 71.682 41.093 47.222 1.00 0.00 WT6 H ATOM 54214 OH2 TIP3 570 37.316 17.866 55.957 1.00 0.00 WT6 O ATOM 54215 H1 TIP3 570 37.647 18.133 56.815 1.00 0.00 WT6 H ATOM 54216 H2 TIP3 570 37.771 18.435 55.336 1.00 0.00 WT6 H ATOM 54217 OH2 TIP3 573 79.153 52.886 66.598 1.00 0.00 WT6 O ATOM 54218 H1 TIP3 573 79.115 52.941 67.553 1.00 0.00 WT6 H ATOM 54219 H2 TIP3 573 78.257 52.678 66.334 1.00 0.00 WT6 H ATOM 54220 OH2 TIP3 575 32.440 88.868 43.330 1.00 0.00 WT6 O ATOM 54221 H1 TIP3 575 32.406 89.026 42.387 1.00 0.00 WT6 H ATOM 54222 H2 TIP3 575 32.465 87.914 43.412 1.00 0.00 WT6 H ATOM 54223 OH2 TIP3 584 62.646 87.922 49.556 1.00 0.00 WT6 O ATOM 54224 H1 TIP3 584 61.996 88.291 48.959 1.00 0.00 WT6 H ATOM 54225 H2 TIP3 584 62.449 86.986 49.577 1.00 0.00 WT6 H ATOM 54226 OH2 TIP3 591 74.537 27.833 27.418 1.00 0.00 WT6 O ATOM 54227 H1 TIP3 591 73.928 27.712 26.689 1.00 0.00 WT6 H ATOM 54228 H2 TIP3 591 75.261 28.336 27.046 1.00 0.00 WT6 H ATOM 54229 OH2 TIP3 593 45.583 23.980 36.054 1.00 0.00 WT6 O ATOM 54230 H1 TIP3 593 44.974 23.695 35.372 1.00 0.00 WT6 H ATOM 54231 H2 TIP3 593 45.706 24.915 35.890 1.00 0.00 WT6 H ATOM 54232 OH2 TIP3 594 37.694 14.122 55.334 1.00 0.00 WT6 O ATOM 54233 H1 TIP3 594 37.518 14.670 56.099 1.00 0.00 WT6 H ATOM 54234 H2 TIP3 594 38.260 14.658 54.779 1.00 0.00 WT6 H ATOM 54235 OH2 TIP3 616 70.850 15.862 46.201 1.00 0.00 WT6 O ATOM 54236 H1 TIP3 616 71.671 16.303 45.983 1.00 0.00 WT6 H ATOM 54237 H2 TIP3 616 70.178 16.532 46.078 1.00 0.00 WT6 H ATOM 54238 OH2 TIP3 638 59.337 53.609 60.039 1.00 0.00 WT6 O ATOM 54239 H1 TIP3 638 59.010 53.385 59.168 1.00 0.00 WT6 H ATOM 54240 H2 TIP3 638 58.911 52.982 60.624 1.00 0.00 WT6 H ATOM 54241 OH2 TIP3 677 20.993 66.872 4.303 1.00 0.00 WT6 O ATOM 54242 H1 TIP3 677 21.791 66.345 4.342 1.00 0.00 WT6 H ATOM 54243 H2 TIP3 677 21.241 67.646 3.796 1.00 0.00 WT6 H ATOM 54244 OH2 TIP3 715 62.673 91.280 52.500 1.00 0.00 WT6 O ATOM 54245 H1 TIP3 715 62.876 92.005 53.091 1.00 0.00 WT6 H ATOM 54246 H2 TIP3 715 62.971 90.499 52.967 1.00 0.00 WT6 H ATOM 54247 OH2 TIP3 717 35.558 2.770 32.479 1.00 0.00 WT6 O ATOM 54248 H1 TIP3 717 36.258 3.041 31.885 1.00 0.00 WT6 H ATOM 54249 H2 TIP3 717 34.934 2.308 31.919 1.00 0.00 WT6 H ATOM 54250 OH2 TIP3 721 64.826 41.514 49.388 1.00 0.00 WT6 O ATOM 54251 H1 TIP3 721 64.158 41.627 50.065 1.00 0.00 WT6 H ATOM 54252 H2 TIP3 721 65.279 40.707 49.630 1.00 0.00 WT6 H ATOM 54253 OH2 TIP3 738 63.847 35.669 1.791 1.00 0.00 WT6 O ATOM 54254 H1 TIP3 738 63.149 35.072 2.061 1.00 0.00 WT6 H ATOM 54255 H2 TIP3 738 64.400 35.757 2.567 1.00 0.00 WT6 H ATOM 54256 OH2 TIP3 746 89.844 50.050 -14.284 1.00 0.00 WT6 O ATOM 54257 H1 TIP3 746 90.720 50.137 -14.659 1.00 0.00 WT6 H ATOM 54258 H2 TIP3 746 89.394 49.437 -14.865 1.00 0.00 WT6 H ATOM 54259 OH2 TIP3 766 39.809 28.978 -3.992 1.00 0.00 WT6 O ATOM 54260 H1 TIP3 766 40.484 28.686 -4.606 1.00 0.00 WT6 H ATOM 54261 H2 TIP3 766 39.565 29.850 -4.300 1.00 0.00 WT6 H ATOM 54262 OH2 TIP3 778 20.292 14.685 -19.281 1.00 0.00 WT6 O ATOM 54263 H1 TIP3 778 20.345 14.900 -18.350 1.00 0.00 WT6 H ATOM 54264 H2 TIP3 778 20.719 15.420 -19.722 1.00 0.00 WT6 H ATOM 54265 OH2 TIP3 779 46.384 96.370 -8.474 1.00 0.00 WT6 O ATOM 54266 H1 TIP3 779 45.699 95.983 -9.018 1.00 0.00 WT6 H ATOM 54267 H2 TIP3 779 46.118 96.172 -7.576 1.00 0.00 WT6 H ATOM 54268 OH2 TIP3 807 79.716 50.311 52.357 1.00 0.00 WT6 O ATOM 54269 H1 TIP3 807 79.965 50.203 51.438 1.00 0.00 WT6 H ATOM 54270 H2 TIP3 807 78.781 50.513 52.330 1.00 0.00 WT6 H ATOM 54271 OH2 TIP3 822 50.112 77.801 -15.555 1.00 0.00 WT6 O ATOM 54272 H1 TIP3 822 49.815 77.594 -16.441 1.00 0.00 WT6 H ATOM 54273 H2 TIP3 822 50.746 77.115 -15.347 1.00 0.00 WT6 H ATOM 54274 OH2 TIP3 824 51.488 39.210 61.469 1.00 0.00 WT6 O ATOM 54275 H1 TIP3 824 51.632 39.815 60.742 1.00 0.00 WT6 H ATOM 54276 H2 TIP3 824 50.673 39.508 61.873 1.00 0.00 WT6 H ATOM 54277 OH2 TIP3 843 82.432 74.150 58.134 1.00 0.00 WT6 O ATOM 54278 H1 TIP3 843 81.965 74.176 58.969 1.00 0.00 WT6 H ATOM 54279 H2 TIP3 843 81.889 73.596 57.573 1.00 0.00 WT6 H ATOM 54280 OH2 TIP3 846 85.577 94.133 -3.504 1.00 0.00 WT6 O ATOM 54281 H1 TIP3 846 84.642 93.967 -3.387 1.00 0.00 WT6 H ATOM 54282 H2 TIP3 846 85.895 93.377 -3.997 1.00 0.00 WT6 H ATOM 54283 OH2 TIP3 892 31.692 15.022 -17.433 1.00 0.00 WT6 O ATOM 54284 H1 TIP3 892 31.585 15.918 -17.753 1.00 0.00 WT6 H ATOM 54285 H2 TIP3 892 32.489 15.049 -16.904 1.00 0.00 WT6 H ATOM 54286 OH2 TIP3 908 87.535 10.298 51.456 1.00 0.00 WT6 O ATOM 54287 H1 TIP3 908 86.794 9.807 51.811 1.00 0.00 WT6 H ATOM 54288 H2 TIP3 908 87.655 9.948 50.574 1.00 0.00 WT6 H ATOM 54289 OH2 TIP3 928 75.078 32.020 46.984 1.00 0.00 WT6 O ATOM 54290 H1 TIP3 928 75.037 31.494 46.185 1.00 0.00 WT6 H ATOM 54291 H2 TIP3 928 75.955 31.860 47.331 1.00 0.00 WT6 H ATOM 54292 OH2 TIP3 930 70.199 84.812 -3.625 1.00 0.00 WT6 O ATOM 54293 H1 TIP3 930 69.482 84.190 -3.504 1.00 0.00 WT6 H ATOM 54294 H2 TIP3 930 69.922 85.355 -4.363 1.00 0.00 WT6 H ATOM 54295 OH2 TIP3 969 62.281 25.836 -9.421 1.00 0.00 WT6 O ATOM 54296 H1 TIP3 969 62.796 25.957 -10.218 1.00 0.00 WT6 H ATOM 54297 H2 TIP3 969 61.510 26.389 -9.546 1.00 0.00 WT6 H ATOM 54298 OH2 TIP3 987 56.923 9.831 -11.430 1.00 0.00 WT6 O ATOM 54299 H1 TIP3 987 57.853 9.700 -11.615 1.00 0.00 WT6 H ATOM 54300 H2 TIP3 987 56.685 10.607 -11.938 1.00 0.00 WT6 H ATOM 54301 OH2 TIP3 1013 25.166 2.738 55.563 1.00 0.00 WT6 O ATOM 54302 H1 TIP3 1013 25.670 1.950 55.358 1.00 0.00 WT6 H ATOM 54303 H2 TIP3 1013 24.300 2.573 55.189 1.00 0.00 WT6 H ATOM 54304 OH2 TIP3 1018 76.709 10.012 8.542 1.00 0.00 WT6 O ATOM 54305 H1 TIP3 1018 76.011 10.573 8.202 1.00 0.00 WT6 H ATOM 54306 H2 TIP3 1018 76.940 10.402 9.385 1.00 0.00 WT6 H ATOM 54307 OH2 TIP3 1076 70.373 39.685 17.121 1.00 0.00 WT6 O ATOM 54308 H1 TIP3 1076 70.018 40.573 17.132 1.00 0.00 WT6 H ATOM 54309 H2 TIP3 1076 70.918 39.653 16.335 1.00 0.00 WT6 H ATOM 54310 OH2 TIP3 1077 70.937 48.207 56.807 1.00 0.00 WT6 O ATOM 54311 H1 TIP3 1077 71.133 47.705 57.598 1.00 0.00 WT6 H ATOM 54312 H2 TIP3 1077 71.637 47.977 56.196 1.00 0.00 WT6 H ATOM 54313 OH2 TIP3 1098 32.671 9.813 -12.710 1.00 0.00 WT6 O ATOM 54314 H1 TIP3 1098 33.310 9.624 -13.397 1.00 0.00 WT6 H ATOM 54315 H2 TIP3 1098 32.207 8.986 -12.579 1.00 0.00 WT6 H ATOM 54316 OH2 TIP3 1122 45.138 15.989 62.558 1.00 0.00 WT6 O ATOM 54317 H1 TIP3 1122 45.610 15.605 61.819 1.00 0.00 WT6 H ATOM 54318 H2 TIP3 1122 45.113 15.293 63.215 1.00 0.00 WT6 H ATOM 54319 OH2 TIP3 1138 50.632 86.263 50.917 1.00 0.00 WT6 O ATOM 54320 H1 TIP3 1138 49.775 86.060 51.292 1.00 0.00 WT6 H ATOM 54321 H2 TIP3 1138 51.144 86.596 51.654 1.00 0.00 WT6 H ATOM 54322 OH2 TIP3 1163 54.575 24.005 36.191 1.00 0.00 WT6 O ATOM 54323 H1 TIP3 1163 54.422 23.683 35.303 1.00 0.00 WT6 H ATOM 54324 H2 TIP3 1163 55.265 24.660 36.094 1.00 0.00 WT6 H ATOM 54325 OH2 TIP3 1240 59.067 55.281 -0.736 1.00 0.00 WT6 O ATOM 54326 H1 TIP3 1240 59.249 54.375 -0.487 1.00 0.00 WT6 H ATOM 54327 H2 TIP3 1240 58.619 55.653 0.023 1.00 0.00 WT6 H ATOM 54328 OH2 TIP3 1258 82.834 73.883 54.783 1.00 0.00 WT6 O ATOM 54329 H1 TIP3 1258 82.434 74.598 55.277 1.00 0.00 WT6 H ATOM 54330 H2 TIP3 1258 83.057 74.271 53.937 1.00 0.00 WT6 H ATOM 54331 OH2 TIP3 1281 54.429 76.955 -13.904 1.00 0.00 WT6 O ATOM 54332 H1 TIP3 1281 54.642 76.422 -13.138 1.00 0.00 WT6 H ATOM 54333 H2 TIP3 1281 53.536 77.258 -13.745 1.00 0.00 WT6 H ATOM 54334 OH2 TIP3 1285 83.070 74.250 28.325 1.00 0.00 WT6 O ATOM 54335 H1 TIP3 1285 82.725 73.882 29.139 1.00 0.00 WT6 H ATOM 54336 H2 TIP3 1285 83.810 73.685 28.102 1.00 0.00 WT6 H ATOM 54337 OH2 TIP3 1301 68.751 4.042 59.938 1.00 0.00 WT6 O ATOM 54338 H1 TIP3 1301 67.891 4.437 60.076 1.00 0.00 WT6 H ATOM 54339 H2 TIP3 1301 69.083 4.460 59.144 1.00 0.00 WT6 H ATOM 54340 OH2 TIP3 1303 31.629 26.547 -11.171 1.00 0.00 WT6 O ATOM 54341 H1 TIP3 1303 32.099 26.530 -12.004 1.00 0.00 WT6 H ATOM 54342 H2 TIP3 1303 31.733 25.664 -10.817 1.00 0.00 WT6 H ATOM 54343 OH2 TIP3 1345 40.756 20.039 0.902 1.00 0.00 WT6 O ATOM 54344 H1 TIP3 1345 40.329 19.185 0.830 1.00 0.00 WT6 H ATOM 54345 H2 TIP3 1345 40.334 20.456 1.652 1.00 0.00 WT6 H ATOM 54346 OH2 TIP3 1354 31.117 76.761 22.380 1.00 0.00 WT6 O ATOM 54347 H1 TIP3 1354 30.938 76.109 23.058 1.00 0.00 WT6 H ATOM 54348 H2 TIP3 1354 31.708 76.318 21.772 1.00 0.00 WT6 H ATOM 54349 OH2 TIP3 1370 71.931 52.860 54.947 1.00 0.00 WT6 O ATOM 54350 H1 TIP3 1370 71.229 53.364 55.356 1.00 0.00 WT6 H ATOM 54351 H2 TIP3 1370 71.722 51.948 55.151 1.00 0.00 WT6 H ATOM 54352 OH2 TIP3 1373 81.808 4.741 36.635 1.00 0.00 WT6 O ATOM 54353 H1 TIP3 1373 82.370 4.929 37.387 1.00 0.00 WT6 H ATOM 54354 H2 TIP3 1373 80.934 4.634 37.009 1.00 0.00 WT6 H ATOM 54355 OH2 TIP3 1387 22.466 71.601 66.911 1.00 0.00 WT6 O ATOM 54356 H1 TIP3 1387 22.260 70.756 66.512 1.00 0.00 WT6 H ATOM 54357 H2 TIP3 1387 22.081 71.554 67.786 1.00 0.00 WT6 H ATOM 54358 OH2 TIP3 1408 80.367 79.560 45.670 1.00 0.00 WT6 O ATOM 54359 H1 TIP3 1408 81.211 79.992 45.539 1.00 0.00 WT6 H ATOM 54360 H2 TIP3 1408 80.388 78.808 45.078 1.00 0.00 WT6 H ATOM 54361 OH2 TIP3 1414 21.097 65.564 55.910 1.00 0.00 WT6 O ATOM 54362 H1 TIP3 1414 20.989 64.817 55.321 1.00 0.00 WT6 H ATOM 54363 H2 TIP3 1414 22.027 65.557 56.138 1.00 0.00 WT6 H ATOM 54364 OH2 TIP3 1429 89.912 81.308 25.649 1.00 0.00 WT6 O ATOM 54365 H1 TIP3 1429 90.154 82.075 25.131 1.00 0.00 WT6 H ATOM 54366 H2 TIP3 1429 90.669 81.150 26.213 1.00 0.00 WT6 H ATOM 54367 OH2 TIP3 1433 36.949 61.689 54.263 1.00 0.00 WT6 O ATOM 54368 H1 TIP3 1433 37.441 62.343 54.759 1.00 0.00 WT6 H ATOM 54369 H2 TIP3 1433 37.201 61.840 53.352 1.00 0.00 WT6 H ATOM 54370 OH2 TIP3 1440 61.299 68.910 -17.257 1.00 0.00 WT6 O ATOM 54371 H1 TIP3 1440 60.888 68.051 -17.160 1.00 0.00 WT6 H ATOM 54372 H2 TIP3 1440 61.441 69.211 -16.360 1.00 0.00 WT6 H ATOM 54373 OH2 TIP3 1451 71.110 39.185 58.872 1.00 0.00 WT6 O ATOM 54374 H1 TIP3 1451 70.288 39.343 59.335 1.00 0.00 WT6 H ATOM 54375 H2 TIP3 1451 71.056 39.737 58.091 1.00 0.00 WT6 H ATOM 54376 OH2 TIP3 1466 72.479 10.458 -15.213 1.00 0.00 WT6 O ATOM 54377 H1 TIP3 1466 71.962 11.257 -15.318 1.00 0.00 WT6 H ATOM 54378 H2 TIP3 1466 71.828 9.766 -15.094 1.00 0.00 WT6 H ATOM 54379 OH2 TIP3 1477 21.022 75.874 45.026 1.00 0.00 WT6 O ATOM 54380 H1 TIP3 1477 20.217 75.357 45.022 1.00 0.00 WT6 H ATOM 54381 H2 TIP3 1477 21.567 75.476 44.348 1.00 0.00 WT6 H ATOM 54382 OH2 TIP3 1480 52.502 9.860 -0.648 1.00 0.00 WT6 O ATOM 54383 H1 TIP3 1480 53.428 9.964 -0.427 1.00 0.00 WT6 H ATOM 54384 H2 TIP3 1480 52.345 8.918 -0.587 1.00 0.00 WT6 H ATOM 54385 OH2 TIP3 1492 21.459 57.867 -6.839 1.00 0.00 WT6 O ATOM 54386 H1 TIP3 1492 22.275 58.240 -7.174 1.00 0.00 WT6 H ATOM 54387 H2 TIP3 1492 21.393 58.200 -5.944 1.00 0.00 WT6 H ATOM 54388 OH2 TIP3 1573 70.622 91.078 27.399 1.00 0.00 WT6 O ATOM 54389 H1 TIP3 1573 70.821 91.457 26.543 1.00 0.00 WT6 H ATOM 54390 H2 TIP3 1573 69.826 90.566 27.255 1.00 0.00 WT6 H ATOM 54391 OH2 TIP3 1599 60.601 57.475 -14.201 1.00 0.00 WT6 O ATOM 54392 H1 TIP3 1599 59.661 57.468 -14.382 1.00 0.00 WT6 H ATOM 54393 H2 TIP3 1599 60.850 56.551 -14.186 1.00 0.00 WT6 H ATOM 54394 OH2 TIP3 1618 58.043 37.001 66.182 1.00 0.00 WT6 O ATOM 54395 H1 TIP3 1618 57.698 36.631 65.370 1.00 0.00 WT6 H ATOM 54396 H2 TIP3 1618 57.270 37.144 66.728 1.00 0.00 WT6 H ATOM 54397 OH2 TIP3 1624 43.453 72.686 47.836 1.00 0.00 WT6 O ATOM 54398 H1 TIP3 1624 42.543 72.621 48.125 1.00 0.00 WT6 H ATOM 54399 H2 TIP3 1624 43.713 71.783 47.656 1.00 0.00 WT6 H ATOM 54400 OH2 TIP3 1625 67.641 87.245 5.928 1.00 0.00 WT6 O ATOM 54401 H1 TIP3 1625 67.332 88.086 6.265 1.00 0.00 WT6 H ATOM 54402 H2 TIP3 1625 67.343 86.604 6.574 1.00 0.00 WT6 H ATOM 54403 OH2 TIP3 1648 77.016 48.945 54.342 1.00 0.00 WT6 O ATOM 54404 H1 TIP3 1648 76.535 49.701 54.005 1.00 0.00 WT6 H ATOM 54405 H2 TIP3 1648 77.371 48.519 53.562 1.00 0.00 WT6 H ATOM 54406 OH2 TIP3 1656 37.585 39.460 8.572 1.00 0.00 WT6 O ATOM 54407 H1 TIP3 1656 37.351 38.996 9.376 1.00 0.00 WT6 H ATOM 54408 H2 TIP3 1656 37.473 40.386 8.788 1.00 0.00 WT6 H ATOM 54409 OH2 TIP3 1664 53.253 29.324 63.064 1.00 0.00 WT6 O ATOM 54410 H1 TIP3 1664 52.372 29.592 63.325 1.00 0.00 WT6 H ATOM 54411 H2 TIP3 1664 53.317 28.410 63.340 1.00 0.00 WT6 H ATOM 54412 OH2 TIP3 1691 21.963 96.674 3.507 1.00 0.00 WT6 O ATOM 54413 H1 TIP3 1691 22.042 96.180 2.691 1.00 0.00 WT6 H ATOM 54414 H2 TIP3 1691 21.033 96.895 3.565 1.00 0.00 WT6 H ATOM 54415 OH2 TIP3 1706 24.139 47.683 18.449 1.00 0.00 WT6 O ATOM 54416 H1 TIP3 1706 24.857 48.050 17.933 1.00 0.00 WT6 H ATOM 54417 H2 TIP3 1706 23.964 48.344 19.120 1.00 0.00 WT6 H ATOM 54418 OH2 TIP3 1725 66.973 4.666 28.991 1.00 0.00 WT6 O ATOM 54419 H1 TIP3 1725 67.525 3.907 28.803 1.00 0.00 WT6 H ATOM 54420 H2 TIP3 1725 66.488 4.420 29.779 1.00 0.00 WT6 H ATOM 54421 OH2 TIP3 1733 46.273 77.589 62.083 1.00 0.00 WT6 O ATOM 54422 H1 TIP3 1733 46.936 77.794 62.743 1.00 0.00 WT6 H ATOM 54423 H2 TIP3 1733 45.493 77.364 62.589 1.00 0.00 WT6 H ATOM 54424 OH2 TIP3 1751 43.730 20.727 42.761 1.00 0.00 WT6 O ATOM 54425 H1 TIP3 1751 43.291 20.499 41.941 1.00 0.00 WT6 H ATOM 54426 H2 TIP3 1751 44.231 21.516 42.553 1.00 0.00 WT6 H ATOM 54427 OH2 TIP3 1769 52.718 71.286 26.112 1.00 0.00 WT6 O ATOM 54428 H1 TIP3 1769 52.706 70.707 26.875 1.00 0.00 WT6 H ATOM 54429 H2 TIP3 1769 53.112 70.759 25.417 1.00 0.00 WT6 H ATOM 54430 OH2 TIP3 1771 28.206 90.853 29.436 1.00 0.00 WT6 O ATOM 54431 H1 TIP3 1771 27.684 90.417 28.763 1.00 0.00 WT6 H ATOM 54432 H2 TIP3 1771 27.718 91.651 29.638 1.00 0.00 WT6 H ATOM 54433 OH2 TIP3 1849 56.335 19.340 26.929 1.00 0.00 WT6 O ATOM 54434 H1 TIP3 1849 55.679 19.585 26.276 1.00 0.00 WT6 H ATOM 54435 H2 TIP3 1849 56.015 19.722 27.746 1.00 0.00 WT6 H ATOM 54436 OH2 TIP3 1853 68.516 65.361 14.760 1.00 0.00 WT6 O ATOM 54437 H1 TIP3 1853 68.736 64.895 13.953 1.00 0.00 WT6 H ATOM 54438 H2 TIP3 1853 69.301 65.284 15.303 1.00 0.00 WT6 H ATOM 54439 OH2 TIP3 1892 58.631 48.354 -10.714 1.00 0.00 WT6 O ATOM 54440 H1 TIP3 1892 59.242 49.078 -10.853 1.00 0.00 WT6 H ATOM 54441 H2 TIP3 1892 58.005 48.688 -10.071 1.00 0.00 WT6 H ATOM 54442 OH2 TIP3 1897 39.608 37.684 20.339 1.00 0.00 WT6 O ATOM 54443 H1 TIP3 1897 40.406 37.879 20.831 1.00 0.00 WT6 H ATOM 54444 H2 TIP3 1897 39.920 37.361 19.494 1.00 0.00 WT6 H ATOM 54445 OH2 TIP3 1918 38.298 25.929 57.916 1.00 0.00 WT6 O ATOM 54446 H1 TIP3 1918 39.011 25.357 57.633 1.00 0.00 WT6 H ATOM 54447 H2 TIP3 1918 38.534 26.183 58.808 1.00 0.00 WT6 H ATOM 54448 OH2 TIP3 1978 63.090 44.832 63.666 1.00 0.00 WT6 O ATOM 54449 H1 TIP3 1978 62.275 45.146 64.058 1.00 0.00 WT6 H ATOM 54450 H2 TIP3 1978 63.182 43.936 63.988 1.00 0.00 WT6 H ATOM 54451 OH2 TIP3 2000 46.210 27.125 -16.873 1.00 0.00 WT6 O ATOM 54452 H1 TIP3 2000 46.412 27.516 -16.023 1.00 0.00 WT6 H ATOM 54453 H2 TIP3 2000 46.180 26.184 -16.703 1.00 0.00 WT6 H ATOM 54454 OH2 TIP3 2022 24.749 44.036 34.047 1.00 0.00 WT6 O ATOM 54455 H1 TIP3 2022 25.233 43.758 33.269 1.00 0.00 WT6 H ATOM 54456 H2 TIP3 2022 23.925 44.383 33.705 1.00 0.00 WT6 H ATOM 54457 OH2 TIP3 2083 29.094 83.826 16.373 1.00 0.00 WT6 O ATOM 54458 H1 TIP3 2083 29.677 83.887 15.616 1.00 0.00 WT6 H ATOM 54459 H2 TIP3 2083 29.683 83.754 17.124 1.00 0.00 WT6 H ATOM 54460 OH2 TIP3 2085 40.962 31.240 -7.078 1.00 0.00 WT6 O ATOM 54461 H1 TIP3 2085 40.098 31.363 -6.686 1.00 0.00 WT6 H ATOM 54462 H2 TIP3 2085 41.400 30.613 -6.502 1.00 0.00 WT6 H ATOM 54463 OH2 TIP3 2108 21.743 33.786 61.947 1.00 0.00 WT6 O ATOM 54464 H1 TIP3 2108 21.121 34.109 62.598 1.00 0.00 WT6 H ATOM 54465 H2 TIP3 2108 21.571 32.846 61.896 1.00 0.00 WT6 H ATOM 54466 OH2 TIP3 2150 25.581 83.594 37.980 1.00 0.00 WT6 O ATOM 54467 H1 TIP3 2150 24.779 83.936 37.585 1.00 0.00 WT6 H ATOM 54468 H2 TIP3 2150 25.712 82.744 37.559 1.00 0.00 WT6 H ATOM 54469 OH2 TIP3 2183 63.785 95.783 2.566 1.00 0.00 WT6 O ATOM 54470 H1 TIP3 2183 63.860 94.829 2.575 1.00 0.00 WT6 H ATOM 54471 H2 TIP3 2183 64.687 96.095 2.644 1.00 0.00 WT6 H ATOM 54472 OH2 TIP3 2190 25.211 67.921 3.295 1.00 0.00 WT6 O ATOM 54473 H1 TIP3 2190 25.113 67.841 4.244 1.00 0.00 WT6 H ATOM 54474 H2 TIP3 2190 25.823 67.225 3.057 1.00 0.00 WT6 H ATOM 54475 OH2 TIP3 2231 45.998 78.927 57.488 1.00 0.00 WT6 O ATOM 54476 H1 TIP3 2231 45.075 79.111 57.312 1.00 0.00 WT6 H ATOM 54477 H2 TIP3 2231 45.989 78.117 57.997 1.00 0.00 WT6 H ATOM 54478 OH2 TIP3 2270 39.462 17.482 -1.095 1.00 0.00 WT6 O ATOM 54479 H1 TIP3 2270 39.351 16.534 -1.165 1.00 0.00 WT6 H ATOM 54480 H2 TIP3 2270 40.260 17.667 -1.590 1.00 0.00 WT6 H ATOM 54481 OH2 TIP3 2288 49.722 47.057 9.214 1.00 0.00 WT6 O ATOM 54482 H1 TIP3 2288 49.484 46.300 9.749 1.00 0.00 WT6 H ATOM 54483 H2 TIP3 2288 50.679 47.059 9.213 1.00 0.00 WT6 H ATOM 54484 OH2 TIP3 2290 66.442 53.963 56.227 1.00 0.00 WT6 O ATOM 54485 H1 TIP3 2290 66.117 54.385 55.432 1.00 0.00 WT6 H ATOM 54486 H2 TIP3 2290 65.657 53.631 56.661 1.00 0.00 WT6 H ATOM 54487 OH2 TIP3 2293 45.690 10.087 22.674 1.00 0.00 WT6 O ATOM 54488 H1 TIP3 2293 46.379 10.577 22.225 1.00 0.00 WT6 H ATOM 54489 H2 TIP3 2293 46.106 9.261 22.922 1.00 0.00 WT6 H ATOM 54490 OH2 TIP3 2317 73.823 39.811 64.242 1.00 0.00 WT6 O ATOM 54491 H1 TIP3 2317 74.254 40.314 64.933 1.00 0.00 WT6 H ATOM 54492 H2 TIP3 2317 73.194 40.422 63.858 1.00 0.00 WT6 H ATOM 54493 OH2 TIP3 2357 22.652 32.393 55.890 1.00 0.00 WT6 O ATOM 54494 H1 TIP3 2357 23.501 32.821 55.781 1.00 0.00 WT6 H ATOM 54495 H2 TIP3 2357 22.024 33.004 55.505 1.00 0.00 WT6 H ATOM 54496 OH2 TIP3 2358 21.885 2.637 56.062 1.00 0.00 WT6 O ATOM 54497 H1 TIP3 2358 22.505 3.333 56.281 1.00 0.00 WT6 H ATOM 54498 H2 TIP3 2358 22.331 2.121 55.390 1.00 0.00 WT6 H ATOM 54499 OH2 TIP3 2500 33.947 36.532 41.528 1.00 0.00 WT6 O ATOM 54500 H1 TIP3 2500 33.013 36.686 41.667 1.00 0.00 WT6 H ATOM 54501 H2 TIP3 2500 34.183 35.875 42.182 1.00 0.00 WT6 H ATOM 54502 OH2 TIP3 2521 43.253 0.774 40.035 1.00 0.00 WT6 O ATOM 54503 H1 TIP3 2521 42.986 0.073 39.441 1.00 0.00 WT6 H ATOM 54504 H2 TIP3 2521 42.709 1.521 39.785 1.00 0.00 WT6 H ATOM 54505 OH2 TIP3 2524 24.930 54.807 -15.411 1.00 0.00 WT6 O ATOM 54506 H1 TIP3 2524 25.470 54.109 -15.781 1.00 0.00 WT6 H ATOM 54507 H2 TIP3 2524 24.081 54.708 -15.843 1.00 0.00 WT6 H ATOM 54508 OH2 TIP3 2525 84.084 54.568 41.467 1.00 0.00 WT6 O ATOM 54509 H1 TIP3 2525 84.292 55.227 42.130 1.00 0.00 WT6 H ATOM 54510 H2 TIP3 2525 83.319 54.110 41.816 1.00 0.00 WT6 H ATOM 54511 OH2 TIP3 2570 28.641 40.245 49.579 1.00 0.00 WT6 O ATOM 54512 H1 TIP3 2570 28.983 39.353 49.523 1.00 0.00 WT6 H ATOM 54513 H2 TIP3 2570 28.136 40.360 48.775 1.00 0.00 WT6 H ATOM 54514 OH2 TIP3 2714 38.452 13.536 -7.832 1.00 0.00 WT6 O ATOM 54515 H1 TIP3 2714 37.619 13.156 -8.110 1.00 0.00 WT6 H ATOM 54516 H2 TIP3 2714 38.994 12.782 -7.600 1.00 0.00 WT6 H ATOM 54517 OH2 TIP3 2781 61.672 71.666 66.869 1.00 0.00 WT6 O ATOM 54518 H1 TIP3 2781 61.932 70.745 66.879 1.00 0.00 WT6 H ATOM 54519 H2 TIP3 2781 62.292 72.098 67.456 1.00 0.00 WT6 H ATOM 54520 OH2 TIP3 2802 29.905 54.635 32.629 1.00 0.00 WT6 O ATOM 54521 H1 TIP3 2802 29.734 53.700 32.521 1.00 0.00 WT6 H ATOM 54522 H2 TIP3 2802 30.340 54.704 33.479 1.00 0.00 WT6 H ATOM 54523 OH2 TIP3 3029 43.333 41.157 39.528 1.00 0.00 WT6 O ATOM 54524 H1 TIP3 3029 43.365 41.789 38.809 1.00 0.00 WT6 H ATOM 54525 H2 TIP3 3029 42.602 41.450 40.072 1.00 0.00 WT6 H ATOM 54526 OH2 TIP3 5421 23.113 29.713 15.503 1.00 0.00 WT6 O ATOM 54527 H1 TIP3 5421 23.461 28.823 15.564 1.00 0.00 WT6 H ATOM 54528 H2 TIP3 5421 23.835 30.229 15.145 1.00 0.00 WT6 H ATOM 54529 OH2 TIP3 6240 43.407 12.533 -18.297 1.00 0.00 WT6 O ATOM 54530 H1 TIP3 6240 42.920 11.789 -18.650 1.00 0.00 WT6 H ATOM 54531 H2 TIP3 6240 43.642 12.266 -17.408 1.00 0.00 WT6 H ATOM 54532 OH2 TIP3 6350 78.154 88.849 15.350 1.00 0.00 WT6 O ATOM 54533 H1 TIP3 6350 77.409 88.709 15.933 1.00 0.00 WT6 H ATOM 54534 H2 TIP3 6350 78.867 89.116 15.931 1.00 0.00 WT6 H ATOM 54535 OH2 TIP3 6671 42.266 0.214 7.610 1.00 0.00 WT6 O ATOM 54536 H1 TIP3 6671 41.763 0.854 8.114 1.00 0.00 WT6 H ATOM 54537 H2 TIP3 6671 42.944 0.731 7.175 1.00 0.00 WT6 H ATOM 54538 OH2 TIP3 6980 48.520 18.339 48.457 1.00 0.00 WT6 O ATOM 54539 H1 TIP3 6980 48.442 17.759 49.214 1.00 0.00 WT6 H ATOM 54540 H2 TIP3 6980 48.003 19.110 48.689 1.00 0.00 WT6 H ATOM 54541 OH2 TIP3 7563 86.040 91.120 58.876 1.00 0.00 WT6 O ATOM 54542 H1 TIP3 7563 85.337 90.670 59.346 1.00 0.00 WT6 H ATOM 54543 H2 TIP3 7563 86.347 90.481 58.233 1.00 0.00 WT6 H ATOM 54544 OH2 TIP3 7583 84.753 92.691 -13.364 1.00 0.00 WT6 O ATOM 54545 H1 TIP3 7583 85.539 93.013 -12.921 1.00 0.00 WT6 H ATOM 54546 H2 TIP3 7583 85.066 92.390 -14.218 1.00 0.00 WT6 H ATOM 54547 OH2 TIP3 7603 76.017 23.638 42.350 1.00 0.00 WT6 O ATOM 54548 H1 TIP3 7603 75.247 24.207 42.344 1.00 0.00 WT6 H ATOM 54549 H2 TIP3 7603 76.340 23.662 41.449 1.00 0.00 WT6 H ATOM 54550 OH2 TIP3 7607 67.791 16.678 13.920 1.00 0.00 WT6 O ATOM 54551 H1 TIP3 7607 67.902 15.857 13.440 1.00 0.00 WT6 H ATOM 54552 H2 TIP3 7607 67.083 16.499 14.539 1.00 0.00 WT6 H ATOM 54553 OH2 TIP3 7630 61.441 21.180 8.903 1.00 0.00 WT6 O ATOM 54554 H1 TIP3 7630 61.140 21.387 9.788 1.00 0.00 WT6 H ATOM 54555 H2 TIP3 7630 60.639 20.996 8.414 1.00 0.00 WT6 H ATOM 54556 OH2 TIP3 7631 42.886 10.627 43.726 1.00 0.00 WT6 O ATOM 54557 H1 TIP3 7631 42.239 9.944 43.902 1.00 0.00 WT6 H ATOM 54558 H2 TIP3 7631 43.645 10.155 43.383 1.00 0.00 WT6 H ATOM 54559 OH2 TIP3 7647 29.156 30.006 15.110 1.00 0.00 WT6 O ATOM 54560 H1 TIP3 7647 28.502 29.599 14.542 1.00 0.00 WT6 H ATOM 54561 H2 TIP3 7647 28.834 30.898 15.246 1.00 0.00 WT6 H ATOM 54562 OH2 TIP3 7650 84.614 69.129 37.300 1.00 0.00 WT6 O ATOM 54563 H1 TIP3 7650 85.270 68.433 37.355 1.00 0.00 WT6 H ATOM 54564 H2 TIP3 7650 84.905 69.675 36.570 1.00 0.00 WT6 H ATOM 54565 OH2 TIP3 7707 70.727 7.920 50.233 1.00 0.00 WT6 O ATOM 54566 H1 TIP3 7707 70.778 8.201 49.320 1.00 0.00 WT6 H ATOM 54567 H2 TIP3 7707 69.788 7.862 50.414 1.00 0.00 WT6 H ATOM 54568 OH2 TIP3 7748 39.325 53.320 40.140 1.00 0.00 WT6 O ATOM 54569 H1 TIP3 7748 39.623 53.552 39.260 1.00 0.00 WT6 H ATOM 54570 H2 TIP3 7748 39.301 54.152 40.612 1.00 0.00 WT6 H ATOM 54571 OH2 TIP3 7833 43.042 30.264 63.730 1.00 0.00 WT6 O ATOM 54572 H1 TIP3 7833 43.182 31.170 63.453 1.00 0.00 WT6 H ATOM 54573 H2 TIP3 7833 42.815 30.329 64.657 1.00 0.00 WT6 H ATOM 54574 OH2 TIP3 7944 35.688 80.052 62.955 1.00 0.00 WT6 O ATOM 54575 H1 TIP3 7944 36.124 80.624 62.324 1.00 0.00 WT6 H ATOM 54576 H2 TIP3 7944 34.793 79.970 62.626 1.00 0.00 WT6 H ATOM 54577 OH2 TIP3 7959 20.663 71.803 3.335 1.00 0.00 WT6 O ATOM 54578 H1 TIP3 7959 20.202 72.211 4.068 1.00 0.00 WT6 H ATOM 54579 H2 TIP3 7959 21.570 71.730 3.633 1.00 0.00 WT6 H ATOM 54580 OH2 TIP3 7979 61.813 92.765 18.495 1.00 0.00 WT6 O ATOM 54581 H1 TIP3 7979 62.723 92.476 18.438 1.00 0.00 WT6 H ATOM 54582 H2 TIP3 7979 61.788 93.330 19.267 1.00 0.00 WT6 H ATOM 54583 OH2 TIP3 7985 72.447 1.619 -6.651 1.00 0.00 WT6 O ATOM 54584 H1 TIP3 7985 73.082 1.688 -7.364 1.00 0.00 WT6 H ATOM 54585 H2 TIP3 7985 72.513 2.455 -6.190 1.00 0.00 WT6 H ATOM 54586 OH2 TIP3 8023 76.663 90.259 23.831 1.00 0.00 WT6 O ATOM 54587 H1 TIP3 8023 76.126 90.704 24.487 1.00 0.00 WT6 H ATOM 54588 H2 TIP3 8023 77.330 89.797 24.339 1.00 0.00 WT6 H ATOM 54589 OH2 TIP3 8024 42.318 38.581 60.707 1.00 0.00 WT6 O ATOM 54590 H1 TIP3 8024 41.753 37.817 60.587 1.00 0.00 WT6 H ATOM 54591 H2 TIP3 8024 42.612 38.803 59.823 1.00 0.00 WT6 H ATOM 54592 OH2 TIP3 8046 55.829 36.033 45.540 1.00 0.00 WT6 O ATOM 54593 H1 TIP3 8046 55.768 36.251 44.610 1.00 0.00 WT6 H ATOM 54594 H2 TIP3 8046 56.487 36.636 45.885 1.00 0.00 WT6 H ATOM 54595 OH2 TIP3 8064 88.047 29.954 -1.762 1.00 0.00 WT6 O ATOM 54596 H1 TIP3 8064 87.395 30.653 -1.807 1.00 0.00 WT6 H ATOM 54597 H2 TIP3 8064 88.746 30.313 -1.215 1.00 0.00 WT6 H ATOM 54598 OH2 TIP3 8067 74.837 19.690 36.441 1.00 0.00 WT6 O ATOM 54599 H1 TIP3 8067 75.382 18.908 36.352 1.00 0.00 WT6 H ATOM 54600 H2 TIP3 8067 73.949 19.352 36.556 1.00 0.00 WT6 H ATOM 54601 OH2 TIP3 8068 69.414 74.958 37.408 1.00 0.00 WT6 O ATOM 54602 H1 TIP3 8068 68.711 74.520 37.888 1.00 0.00 WT6 H ATOM 54603 H2 TIP3 8068 68.968 75.614 36.873 1.00 0.00 WT6 H ATOM 54604 OH2 TIP3 8136 56.735 67.935 40.285 1.00 0.00 WT6 O ATOM 54605 H1 TIP3 8136 56.143 67.429 39.728 1.00 0.00 WT6 H ATOM 54606 H2 TIP3 8136 57.452 68.189 39.704 1.00 0.00 WT6 H ATOM 54607 OH2 TIP3 8173 54.056 27.242 -18.406 1.00 0.00 WT6 O ATOM 54608 H1 TIP3 8173 53.989 28.127 -18.766 1.00 0.00 WT6 H ATOM 54609 H2 TIP3 8173 53.435 27.232 -17.677 1.00 0.00 WT6 H ATOM 54610 OH2 TIP3 8174 24.081 50.918 45.629 1.00 0.00 WT6 O ATOM 54611 H1 TIP3 8174 24.863 50.483 45.967 1.00 0.00 WT6 H ATOM 54612 H2 TIP3 8174 24.321 51.188 44.742 1.00 0.00 WT6 H ATOM 54613 OH2 TIP3 8193 60.783 7.222 63.669 1.00 0.00 WT6 O ATOM 54614 H1 TIP3 8193 60.009 6.767 64.000 1.00 0.00 WT6 H ATOM 54615 H2 TIP3 8193 61.504 6.610 63.819 1.00 0.00 WT6 H ATOM 54616 OH2 TIP3 8218 37.490 56.718 47.446 1.00 0.00 WT6 O ATOM 54617 H1 TIP3 8218 38.151 56.213 46.972 1.00 0.00 WT6 H ATOM 54618 H2 TIP3 8218 37.961 57.488 47.765 1.00 0.00 WT6 H ATOM 54619 OH2 TIP3 8260 78.639 65.793 50.897 1.00 0.00 WT6 O ATOM 54620 H1 TIP3 8260 78.647 64.839 50.979 1.00 0.00 WT6 H ATOM 54621 H2 TIP3 8260 78.342 65.955 50.002 1.00 0.00 WT6 H ATOM 54622 OH2 TIP3 8278 74.259 46.210 15.274 1.00 0.00 WT6 O ATOM 54623 H1 TIP3 8278 75.151 45.898 15.426 1.00 0.00 WT6 H ATOM 54624 H2 TIP3 8278 73.783 45.976 16.071 1.00 0.00 WT6 H ATOM 54625 OH2 TIP3 8383 58.002 26.540 46.683 1.00 0.00 WT6 O ATOM 54626 H1 TIP3 8383 58.232 25.612 46.640 1.00 0.00 WT6 H ATOM 54627 H2 TIP3 8383 58.578 26.899 47.358 1.00 0.00 WT6 H ATOM 54628 OH2 TIP3 8403 30.468 12.340 56.197 1.00 0.00 WT6 O ATOM 54629 H1 TIP3 8403 30.751 13.184 56.549 1.00 0.00 WT6 H ATOM 54630 H2 TIP3 8403 30.554 12.434 55.248 1.00 0.00 WT6 H ATOM 54631 OH2 TIP3 8411 45.286 2.158 21.210 1.00 0.00 WT6 O ATOM 54632 H1 TIP3 8411 45.187 2.547 22.078 1.00 0.00 WT6 H ATOM 54633 H2 TIP3 8411 44.844 2.769 20.621 1.00 0.00 WT6 H ATOM 54634 OH2 TIP3 8425 23.587 60.024 24.955 1.00 0.00 WT6 O ATOM 54635 H1 TIP3 8425 24.365 60.266 24.452 1.00 0.00 WT6 H ATOM 54636 H2 TIP3 8425 23.817 60.219 25.863 1.00 0.00 WT6 H ATOM 54637 OH2 TIP3 8466 79.459 77.215 51.152 1.00 0.00 WT6 O ATOM 54638 H1 TIP3 8466 80.380 77.444 51.275 1.00 0.00 WT6 H ATOM 54639 H2 TIP3 8466 79.479 76.379 50.687 1.00 0.00 WT6 H ATOM 54640 OH2 TIP3 8468 42.336 43.230 60.600 1.00 0.00 WT6 O ATOM 54641 H1 TIP3 8468 41.442 42.888 60.612 1.00 0.00 WT6 H ATOM 54642 H2 TIP3 8468 42.763 42.812 61.347 1.00 0.00 WT6 H ATOM 54643 OH2 TIP3 8488 75.754 44.473 -19.588 1.00 0.00 WT6 O ATOM 54644 H1 TIP3 8488 75.977 45.324 -19.211 1.00 0.00 WT6 H ATOM 54645 H2 TIP3 8488 75.491 44.669 -20.487 1.00 0.00 WT6 H ATOM 54646 OH2 TIP3 8534 75.964 85.680 39.785 1.00 0.00 WT6 O ATOM 54647 H1 TIP3 8534 76.580 85.844 39.072 1.00 0.00 WT6 H ATOM 54648 H2 TIP3 8534 75.905 84.726 39.837 1.00 0.00 WT6 H ATOM 54649 OH2 TIP3 8536 34.238 36.227 1.196 1.00 0.00 WT6 O ATOM 54650 H1 TIP3 8536 33.752 36.166 2.019 1.00 0.00 WT6 H ATOM 54651 H2 TIP3 8536 34.931 36.863 1.374 1.00 0.00 WT6 H ATOM 54652 OH2 TIP3 8549 83.142 46.198 41.900 1.00 0.00 WT6 O ATOM 54653 H1 TIP3 8549 83.786 46.441 41.235 1.00 0.00 WT6 H ATOM 54654 H2 TIP3 8549 82.912 47.025 42.324 1.00 0.00 WT6 H ATOM 54655 OH2 TIP3 8556 35.320 8.957 56.415 1.00 0.00 WT6 O ATOM 54656 H1 TIP3 8556 35.180 8.843 57.355 1.00 0.00 WT6 H ATOM 54657 H2 TIP3 8556 34.465 9.218 56.075 1.00 0.00 WT6 H ATOM 54658 OH2 TIP3 8558 86.268 66.356 62.384 1.00 0.00 WT6 O ATOM 54659 H1 TIP3 8558 85.590 66.347 61.709 1.00 0.00 WT6 H ATOM 54660 H2 TIP3 8558 85.784 66.351 63.210 1.00 0.00 WT6 H ATOM 54661 OH2 TIP3 8574 38.550 36.951 59.115 1.00 0.00 WT6 O ATOM 54662 H1 TIP3 8574 38.044 37.727 59.356 1.00 0.00 WT6 H ATOM 54663 H2 TIP3 8574 38.616 36.994 58.161 1.00 0.00 WT6 H ATOM 54664 OH2 TIP3 8653 23.915 55.596 42.115 1.00 0.00 WT6 O ATOM 54665 H1 TIP3 8653 23.123 56.132 42.159 1.00 0.00 WT6 H ATOM 54666 H2 TIP3 8653 23.968 55.320 41.200 1.00 0.00 WT6 H ATOM 54667 OH2 TIP3 8662 21.126 56.492 53.668 1.00 0.00 WT6 O ATOM 54668 H1 TIP3 8662 22.043 56.762 53.721 1.00 0.00 WT6 H ATOM 54669 H2 TIP3 8662 20.672 57.066 54.286 1.00 0.00 WT6 H ATOM 54670 OH2 TIP3 8675 25.309 50.549 -0.972 1.00 0.00 WT6 O ATOM 54671 H1 TIP3 8675 25.820 50.576 -0.163 1.00 0.00 WT6 H ATOM 54672 H2 TIP3 8675 24.674 51.259 -0.879 1.00 0.00 WT6 H ATOM 54673 OH2 TIP3 8679 74.423 60.103 53.246 1.00 0.00 WT6 O ATOM 54674 H1 TIP3 8679 73.747 60.780 53.230 1.00 0.00 WT6 H ATOM 54675 H2 TIP3 8679 73.987 59.337 53.618 1.00 0.00 WT6 H ATOM 54676 OH2 TIP3 8683 70.763 79.653 0.363 1.00 0.00 WT6 O ATOM 54677 H1 TIP3 8683 70.082 80.297 0.560 1.00 0.00 WT6 H ATOM 54678 H2 TIP3 8683 70.287 78.902 0.009 1.00 0.00 WT6 H ATOM 54679 OH2 TIP3 8691 79.606 36.475 -7.951 1.00 0.00 WT6 O ATOM 54680 H1 TIP3 8691 79.469 37.105 -7.244 1.00 0.00 WT6 H ATOM 54681 H2 TIP3 8691 78.838 35.905 -7.917 1.00 0.00 WT6 H ATOM 54682 OH2 TIP3 8695 32.549 72.686 26.359 1.00 0.00 WT6 O ATOM 54683 H1 TIP3 8695 31.734 73.009 26.744 1.00 0.00 WT6 H ATOM 54684 H2 TIP3 8695 32.922 72.114 27.030 1.00 0.00 WT6 H ATOM 54685 OH2 TIP3 8699 77.786 52.492 6.862 1.00 0.00 WT6 O ATOM 54686 H1 TIP3 8699 77.540 53.417 6.845 1.00 0.00 WT6 H ATOM 54687 H2 TIP3 8699 77.063 52.043 6.424 1.00 0.00 WT6 H ATOM 54688 OH2 TIP3 8701 22.604 71.837 24.666 1.00 0.00 WT6 O ATOM 54689 H1 TIP3 8701 22.033 71.075 24.765 1.00 0.00 WT6 H ATOM 54690 H2 TIP3 8701 22.825 71.852 23.735 1.00 0.00 WT6 H ATOM 54691 OH2 TIP3 8721 45.115 19.896 45.226 1.00 0.00 WT6 O ATOM 54692 H1 TIP3 8721 44.790 19.843 44.328 1.00 0.00 WT6 H ATOM 54693 H2 TIP3 8721 45.115 20.832 45.427 1.00 0.00 WT6 H ATOM 54694 OH2 TIP3 8722 62.387 64.839 50.036 1.00 0.00 WT6 O ATOM 54695 H1 TIP3 8722 62.107 65.043 50.929 1.00 0.00 WT6 H ATOM 54696 H2 TIP3 8722 61.684 64.294 49.683 1.00 0.00 WT6 H ATOM 54697 OH2 TIP3 8780 24.344 8.619 52.724 1.00 0.00 WT6 O ATOM 54698 H1 TIP3 8780 23.738 8.302 52.055 1.00 0.00 WT6 H ATOM 54699 H2 TIP3 8780 24.108 8.130 53.513 1.00 0.00 WT6 H ATOM 54700 OH2 TIP3 8800 30.615 0.636 -4.424 1.00 0.00 WT6 O ATOM 54701 H1 TIP3 8800 30.657 1.085 -3.580 1.00 0.00 WT6 H ATOM 54702 H2 TIP3 8800 29.854 0.060 -4.351 1.00 0.00 WT6 H ATOM 54703 OH2 TIP3 8809 89.544 37.711 23.499 1.00 0.00 WT6 O ATOM 54704 H1 TIP3 8809 89.106 38.318 22.903 1.00 0.00 WT6 H ATOM 54705 H2 TIP3 8809 89.453 36.855 23.080 1.00 0.00 WT6 H ATOM 54706 OH2 TIP3 8822 73.524 20.306 -7.453 1.00 0.00 WT6 O ATOM 54707 H1 TIP3 8822 74.243 19.939 -6.939 1.00 0.00 WT6 H ATOM 54708 H2 TIP3 8822 72.917 20.656 -6.800 1.00 0.00 WT6 H ATOM 54709 OH2 TIP3 8829 74.105 19.216 -3.733 1.00 0.00 WT6 O ATOM 54710 H1 TIP3 8829 73.583 19.775 -3.158 1.00 0.00 WT6 H ATOM 54711 H2 TIP3 8829 74.543 18.605 -3.140 1.00 0.00 WT6 H ATOM 54712 OH2 TIP3 8845 64.010 35.351 -4.020 1.00 0.00 WT6 O ATOM 54713 H1 TIP3 8845 63.977 34.518 -4.490 1.00 0.00 WT6 H ATOM 54714 H2 TIP3 8845 63.309 35.288 -3.372 1.00 0.00 WT6 H ATOM 54715 OH2 TIP3 8890 78.381 53.681 45.021 1.00 0.00 WT6 O ATOM 54716 H1 TIP3 8890 77.977 54.207 45.711 1.00 0.00 WT6 H ATOM 54717 H2 TIP3 8890 78.355 52.785 45.357 1.00 0.00 WT6 H ATOM 54718 OH2 TIP3 8927 36.356 19.264 21.872 1.00 0.00 WT6 O ATOM 54719 H1 TIP3 8927 36.569 18.830 21.045 1.00 0.00 WT6 H ATOM 54720 H2 TIP3 8927 37.177 19.259 22.364 1.00 0.00 WT6 H ATOM 54721 OH2 TIP3 8935 58.682 78.351 2.273 1.00 0.00 WT6 O ATOM 54722 H1 TIP3 8935 59.317 77.651 2.122 1.00 0.00 WT6 H ATOM 54723 H2 TIP3 8935 58.624 78.422 3.225 1.00 0.00 WT6 H ATOM 54724 OH2 TIP3 8972 72.977 41.771 30.427 1.00 0.00 WT6 O ATOM 54725 H1 TIP3 8972 72.271 41.402 29.896 1.00 0.00 WT6 H ATOM 54726 H2 TIP3 8972 73.477 42.314 29.817 1.00 0.00 WT6 H ATOM 54727 OH2 TIP3 8973 79.697 86.862 1.564 1.00 0.00 WT6 O ATOM 54728 H1 TIP3 8973 80.557 86.865 1.985 1.00 0.00 WT6 H ATOM 54729 H2 TIP3 8973 79.363 87.750 1.695 1.00 0.00 WT6 H ATOM 54730 OH2 TIP3 8977 46.218 92.826 46.256 1.00 0.00 WT6 O ATOM 54731 H1 TIP3 8977 46.804 93.226 46.899 1.00 0.00 WT6 H ATOM 54732 H2 TIP3 8977 45.650 92.254 46.772 1.00 0.00 WT6 H ATOM 54733 OH2 TIP3 8988 60.311 86.604 4.591 1.00 0.00 WT6 O ATOM 54734 H1 TIP3 8988 60.681 86.403 5.451 1.00 0.00 WT6 H ATOM 54735 H2 TIP3 8988 59.404 86.305 4.645 1.00 0.00 WT6 H ATOM 54736 OH2 TIP3 9035 79.854 51.678 43.182 1.00 0.00 WT6 O ATOM 54737 H1 TIP3 9035 79.139 51.098 42.919 1.00 0.00 WT6 H ATOM 54738 H2 TIP3 9035 79.417 52.460 43.520 1.00 0.00 WT6 H ATOM 54739 OH2 TIP3 9047 49.062 25.814 2.284 1.00 0.00 WT6 O ATOM 54740 H1 TIP3 9047 48.227 25.876 2.747 1.00 0.00 WT6 H ATOM 54741 H2 TIP3 9047 49.648 25.380 2.904 1.00 0.00 WT6 H ATOM 54742 OH2 TIP3 9055 43.959 13.090 0.008 1.00 0.00 WT6 O ATOM 54743 H1 TIP3 9055 44.177 12.414 0.649 1.00 0.00 WT6 H ATOM 54744 H2 TIP3 9055 43.027 12.961 -0.170 1.00 0.00 WT6 H ATOM 54745 OH2 TIP3 9073 35.345 6.665 48.204 1.00 0.00 WT6 O ATOM 54746 H1 TIP3 9073 35.237 6.320 47.318 1.00 0.00 WT6 H ATOM 54747 H2 TIP3 9073 36.185 7.124 48.182 1.00 0.00 WT6 H ATOM 54748 OH2 TIP3 9096 33.971 19.134 57.237 1.00 0.00 WT6 O ATOM 54749 H1 TIP3 9096 33.037 18.927 57.210 1.00 0.00 WT6 H ATOM 54750 H2 TIP3 9096 34.366 18.545 56.594 1.00 0.00 WT6 H ATOM 54751 OH2 TIP3 9097 52.311 21.148 41.995 1.00 0.00 WT6 O ATOM 54752 H1 TIP3 9097 51.656 20.590 42.413 1.00 0.00 WT6 H ATOM 54753 H2 TIP3 9097 52.710 21.634 42.717 1.00 0.00 WT6 H ATOM 54754 OH2 TIP3 9116 74.512 70.658 36.922 1.00 0.00 WT6 O ATOM 54755 H1 TIP3 9116 74.959 70.719 36.078 1.00 0.00 WT6 H ATOM 54756 H2 TIP3 9116 75.218 70.679 37.569 1.00 0.00 WT6 H ATOM 54757 OH2 TIP3 9124 49.289 77.996 -18.160 1.00 0.00 WT6 O ATOM 54758 H1 TIP3 9124 50.184 78.229 -18.406 1.00 0.00 WT6 H ATOM 54759 H2 TIP3 9124 48.739 78.441 -18.804 1.00 0.00 WT6 H ATOM 54760 OH2 TIP3 9143 34.728 49.581 62.055 1.00 0.00 WT6 O ATOM 54761 H1 TIP3 9143 35.425 48.927 62.099 1.00 0.00 WT6 H ATOM 54762 H2 TIP3 9143 34.956 50.125 61.301 1.00 0.00 WT6 H ATOM 54763 OH2 TIP3 9144 68.489 43.555 8.177 1.00 0.00 WT6 O ATOM 54764 H1 TIP3 9144 68.915 43.328 9.003 1.00 0.00 WT6 H ATOM 54765 H2 TIP3 9144 68.323 42.713 7.753 1.00 0.00 WT6 H ATOM 54766 OH2 TIP3 9157 57.482 24.103 29.757 1.00 0.00 WT6 O ATOM 54767 H1 TIP3 9157 56.543 24.282 29.810 1.00 0.00 WT6 H ATOM 54768 H2 TIP3 9157 57.616 23.791 28.862 1.00 0.00 WT6 H ATOM 54769 OH2 TIP3 9158 34.732 58.548 53.149 1.00 0.00 WT6 O ATOM 54770 H1 TIP3 9158 35.145 58.354 52.307 1.00 0.00 WT6 H ATOM 54771 H2 TIP3 9158 34.547 59.487 53.114 1.00 0.00 WT6 H ATOM 54772 OH2 TIP3 9162 73.456 75.831 41.051 1.00 0.00 WT6 O ATOM 54773 H1 TIP3 9162 72.835 75.116 40.912 1.00 0.00 WT6 H ATOM 54774 H2 TIP3 9162 74.314 75.437 40.895 1.00 0.00 WT6 H ATOM 54775 OH2 TIP3 9183 22.207 59.491 -9.600 1.00 0.00 WT6 O ATOM 54776 H1 TIP3 9183 22.504 60.400 -9.620 1.00 0.00 WT6 H ATOM 54777 H2 TIP3 9183 21.302 59.541 -9.292 1.00 0.00 WT6 H ATOM 54778 OH2 TIP3 9184 59.720 42.455 -7.713 1.00 0.00 WT6 O ATOM 54779 H1 TIP3 9184 60.095 41.577 -7.781 1.00 0.00 WT6 H ATOM 54780 H2 TIP3 9184 58.898 42.329 -7.239 1.00 0.00 WT6 H ATOM 54781 OH2 TIP3 9198 79.316 25.307 1.041 1.00 0.00 WT6 O ATOM 54782 H1 TIP3 9198 79.147 25.232 0.102 1.00 0.00 WT6 H ATOM 54783 H2 TIP3 9198 78.450 25.264 1.445 1.00 0.00 WT6 H ATOM 54784 OH2 TIP3 9223 65.428 34.021 36.424 1.00 0.00 WT6 O ATOM 54785 H1 TIP3 9223 64.632 34.458 36.726 1.00 0.00 WT6 H ATOM 54786 H2 TIP3 9223 65.225 33.739 35.533 1.00 0.00 WT6 H ATOM 54787 OH2 TIP3 9227 86.499 79.531 -11.080 1.00 0.00 WT6 O ATOM 54788 H1 TIP3 9227 87.164 79.219 -10.466 1.00 0.00 WT6 H ATOM 54789 H2 TIP3 9227 85.668 79.390 -10.626 1.00 0.00 WT6 H ATOM 54790 OH2 TIP3 9250 45.100 31.439 49.068 1.00 0.00 WT6 O ATOM 54791 H1 TIP3 9250 44.712 32.313 49.051 1.00 0.00 WT6 H ATOM 54792 H2 TIP3 9250 45.177 31.192 48.147 1.00 0.00 WT6 H ATOM 54793 OH2 TIP3 5 87.249 60.881 66.072 1.00 0.00 WT7 O ATOM 54794 H1 TIP3 5 87.537 60.834 65.160 1.00 0.00 WT7 H ATOM 54795 H2 TIP3 5 86.371 60.499 66.066 1.00 0.00 WT7 H ATOM 54796 OH2 TIP3 8 33.332 36.258 58.649 1.00 0.00 WT7 O ATOM 54797 H1 TIP3 8 34.261 36.352 58.860 1.00 0.00 WT7 H ATOM 54798 H2 TIP3 8 33.194 35.313 58.591 1.00 0.00 WT7 H ATOM 54799 OH2 TIP3 15 45.390 74.024 -10.564 1.00 0.00 WT7 O ATOM 54800 H1 TIP3 15 45.643 73.221 -11.020 1.00 0.00 WT7 H ATOM 54801 H2 TIP3 15 44.479 73.879 -10.311 1.00 0.00 WT7 H ATOM 54802 OH2 TIP3 19 75.250 37.730 47.716 1.00 0.00 WT7 O ATOM 54803 H1 TIP3 19 76.096 38.123 47.930 1.00 0.00 WT7 H ATOM 54804 H2 TIP3 19 75.226 37.717 46.760 1.00 0.00 WT7 H ATOM 54805 OH2 TIP3 37 60.344 55.334 55.686 1.00 0.00 WT7 O ATOM 54806 H1 TIP3 37 60.814 54.948 54.946 1.00 0.00 WT7 H ATOM 54807 H2 TIP3 37 59.423 55.145 55.509 1.00 0.00 WT7 H ATOM 54808 OH2 TIP3 42 89.660 67.857 28.061 1.00 0.00 WT7 O ATOM 54809 H1 TIP3 42 89.051 67.433 27.457 1.00 0.00 WT7 H ATOM 54810 H2 TIP3 42 89.902 68.674 27.624 1.00 0.00 WT7 H ATOM 54811 OH2 TIP3 44 39.201 42.571 47.962 1.00 0.00 WT7 O ATOM 54812 H1 TIP3 44 38.852 41.999 47.278 1.00 0.00 WT7 H ATOM 54813 H2 TIP3 44 39.453 43.371 47.500 1.00 0.00 WT7 H ATOM 54814 OH2 TIP3 48 69.045 83.720 -0.490 1.00 0.00 WT7 O ATOM 54815 H1 TIP3 48 68.544 84.161 -1.176 1.00 0.00 WT7 H ATOM 54816 H2 TIP3 48 69.960 83.896 -0.711 1.00 0.00 WT7 H ATOM 54817 OH2 TIP3 52 71.195 41.990 -14.373 1.00 0.00 WT7 O ATOM 54818 H1 TIP3 52 70.277 41.781 -14.551 1.00 0.00 WT7 H ATOM 54819 H2 TIP3 52 71.180 42.423 -13.519 1.00 0.00 WT7 H ATOM 54820 OH2 TIP3 53 26.849 94.402 -0.136 1.00 0.00 WT7 O ATOM 54821 H1 TIP3 53 26.188 95.090 -0.207 1.00 0.00 WT7 H ATOM 54822 H2 TIP3 53 26.410 93.613 -0.455 1.00 0.00 WT7 H ATOM 54823 OH2 TIP3 55 35.190 3.810 -1.983 1.00 0.00 WT7 O ATOM 54824 H1 TIP3 55 35.612 3.172 -2.558 1.00 0.00 WT7 H ATOM 54825 H2 TIP3 55 35.158 3.380 -1.129 1.00 0.00 WT7 H ATOM 54826 OH2 TIP3 61 35.785 85.757 23.701 1.00 0.00 WT7 O ATOM 54827 H1 TIP3 61 35.371 84.994 23.298 1.00 0.00 WT7 H ATOM 54828 H2 TIP3 61 36.487 85.996 23.095 1.00 0.00 WT7 H ATOM 54829 OH2 TIP3 67 24.994 58.444 50.831 1.00 0.00 WT7 O ATOM 54830 H1 TIP3 67 25.403 58.023 51.587 1.00 0.00 WT7 H ATOM 54831 H2 TIP3 67 24.443 59.131 51.207 1.00 0.00 WT7 H ATOM 54832 OH2 TIP3 78 47.688 46.790 54.267 1.00 0.00 WT7 O ATOM 54833 H1 TIP3 78 47.774 47.500 53.631 1.00 0.00 WT7 H ATOM 54834 H2 TIP3 78 47.699 47.227 55.118 1.00 0.00 WT7 H ATOM 54835 OH2 TIP3 87 79.485 75.569 60.803 1.00 0.00 WT7 O ATOM 54836 H1 TIP3 87 79.517 74.819 60.209 1.00 0.00 WT7 H ATOM 54837 H2 TIP3 87 79.943 75.272 61.589 1.00 0.00 WT7 H ATOM 54838 OH2 TIP3 94 52.184 84.766 -18.669 1.00 0.00 WT7 O ATOM 54839 H1 TIP3 94 51.523 85.337 -18.278 1.00 0.00 WT7 H ATOM 54840 H2 TIP3 94 52.785 84.567 -17.951 1.00 0.00 WT7 H ATOM 54841 OH2 TIP3 95 48.868 4.863 4.556 1.00 0.00 WT7 O ATOM 54842 H1 TIP3 95 48.009 4.731 4.153 1.00 0.00 WT7 H ATOM 54843 H2 TIP3 95 49.226 3.980 4.651 1.00 0.00 WT7 H ATOM 54844 OH2 TIP3 113 79.212 43.617 35.375 1.00 0.00 WT7 O ATOM 54845 H1 TIP3 113 78.982 43.021 34.662 1.00 0.00 WT7 H ATOM 54846 H2 TIP3 113 78.803 44.449 35.134 1.00 0.00 WT7 H ATOM 54847 OH2 TIP3 115 44.042 45.216 4.095 1.00 0.00 WT7 O ATOM 54848 H1 TIP3 115 43.190 45.017 3.707 1.00 0.00 WT7 H ATOM 54849 H2 TIP3 115 43.837 45.751 4.862 1.00 0.00 WT7 H ATOM 54850 OH2 TIP3 122 35.359 39.066 22.831 1.00 0.00 WT7 O ATOM 54851 H1 TIP3 122 35.972 38.764 23.501 1.00 0.00 WT7 H ATOM 54852 H2 TIP3 122 35.915 39.438 22.146 1.00 0.00 WT7 H ATOM 54853 OH2 TIP3 128 70.272 31.272 -7.480 1.00 0.00 WT7 O ATOM 54854 H1 TIP3 128 69.567 31.916 -7.551 1.00 0.00 WT7 H ATOM 54855 H2 TIP3 128 71.070 31.768 -7.666 1.00 0.00 WT7 H ATOM 54856 OH2 TIP3 135 69.264 86.162 -5.674 1.00 0.00 WT7 O ATOM 54857 H1 TIP3 135 69.647 86.771 -6.304 1.00 0.00 WT7 H ATOM 54858 H2 TIP3 135 69.099 85.366 -6.179 1.00 0.00 WT7 H ATOM 54859 OH2 TIP3 137 79.038 82.061 38.816 1.00 0.00 WT7 O ATOM 54860 H1 TIP3 137 78.292 82.177 39.404 1.00 0.00 WT7 H ATOM 54861 H2 TIP3 137 79.364 82.948 38.664 1.00 0.00 WT7 H ATOM 54862 OH2 TIP3 149 40.491 68.987 -15.514 1.00 0.00 WT7 O ATOM 54863 H1 TIP3 149 40.024 68.195 -15.776 1.00 0.00 WT7 H ATOM 54864 H2 TIP3 149 40.631 68.883 -14.572 1.00 0.00 WT7 H ATOM 54865 OH2 TIP3 150 69.370 5.748 -1.508 1.00 0.00 WT7 O ATOM 54866 H1 TIP3 150 69.519 6.682 -1.359 1.00 0.00 WT7 H ATOM 54867 H2 TIP3 150 70.199 5.426 -1.861 1.00 0.00 WT7 H ATOM 54868 OH2 TIP3 153 44.180 64.661 -6.212 1.00 0.00 WT7 O ATOM 54869 H1 TIP3 153 43.535 64.139 -5.735 1.00 0.00 WT7 H ATOM 54870 H2 TIP3 153 44.955 64.656 -5.651 1.00 0.00 WT7 H ATOM 54871 OH2 TIP3 155 46.529 60.661 6.061 1.00 0.00 WT7 O ATOM 54872 H1 TIP3 155 46.623 60.731 5.111 1.00 0.00 WT7 H ATOM 54873 H2 TIP3 155 46.822 61.509 6.394 1.00 0.00 WT7 H ATOM 54874 OH2 TIP3 165 36.366 44.770 15.952 1.00 0.00 WT7 O ATOM 54875 H1 TIP3 165 36.532 44.764 16.895 1.00 0.00 WT7 H ATOM 54876 H2 TIP3 165 37.145 44.368 15.568 1.00 0.00 WT7 H ATOM 54877 OH2 TIP3 167 50.077 95.467 -5.818 1.00 0.00 WT7 O ATOM 54878 H1 TIP3 167 50.176 95.886 -6.673 1.00 0.00 WT7 H ATOM 54879 H2 TIP3 167 50.193 94.533 -5.993 1.00 0.00 WT7 H ATOM 54880 OH2 TIP3 175 78.128 44.644 19.310 1.00 0.00 WT7 O ATOM 54881 H1 TIP3 175 78.219 43.783 19.719 1.00 0.00 WT7 H ATOM 54882 H2 TIP3 175 78.178 45.262 20.039 1.00 0.00 WT7 H ATOM 54883 OH2 TIP3 177 33.750 79.137 5.508 1.00 0.00 WT7 O ATOM 54884 H1 TIP3 177 33.205 79.025 6.287 1.00 0.00 WT7 H ATOM 54885 H2 TIP3 177 34.576 78.707 5.729 1.00 0.00 WT7 H ATOM 54886 OH2 TIP3 201 44.887 92.400 56.066 1.00 0.00 WT7 O ATOM 54887 H1 TIP3 201 45.006 92.241 55.130 1.00 0.00 WT7 H ATOM 54888 H2 TIP3 201 44.619 91.552 56.421 1.00 0.00 WT7 H ATOM 54889 OH2 TIP3 225 24.466 69.181 22.006 1.00 0.00 WT7 O ATOM 54890 H1 TIP3 225 23.619 68.771 22.178 1.00 0.00 WT7 H ATOM 54891 H2 TIP3 225 25.068 68.755 22.617 1.00 0.00 WT7 H ATOM 54892 OH2 TIP3 234 31.179 37.444 41.233 1.00 0.00 WT7 O ATOM 54893 H1 TIP3 234 30.957 38.159 41.830 1.00 0.00 WT7 H ATOM 54894 H2 TIP3 234 31.462 37.881 40.430 1.00 0.00 WT7 H ATOM 54895 OH2 TIP3 237 20.248 5.135 0.638 1.00 0.00 WT7 O ATOM 54896 H1 TIP3 237 20.810 5.480 1.332 1.00 0.00 WT7 H ATOM 54897 H2 TIP3 237 20.841 4.979 -0.096 1.00 0.00 WT7 H ATOM 54898 OH2 TIP3 261 24.374 29.700 -7.044 1.00 0.00 WT7 O ATOM 54899 H1 TIP3 261 24.742 29.799 -6.167 1.00 0.00 WT7 H ATOM 54900 H2 TIP3 261 24.151 30.591 -7.313 1.00 0.00 WT7 H ATOM 54901 OH2 TIP3 268 25.736 86.134 20.481 1.00 0.00 WT7 O ATOM 54902 H1 TIP3 268 25.335 85.271 20.581 1.00 0.00 WT7 H ATOM 54903 H2 TIP3 268 26.563 85.965 20.030 1.00 0.00 WT7 H ATOM 54904 OH2 TIP3 313 69.902 36.103 66.207 1.00 0.00 WT7 O ATOM 54905 H1 TIP3 313 70.820 35.831 66.182 1.00 0.00 WT7 H ATOM 54906 H2 TIP3 313 69.529 35.618 66.943 1.00 0.00 WT7 H ATOM 54907 OH2 TIP3 379 50.743 11.095 8.827 1.00 0.00 WT7 O ATOM 54908 H1 TIP3 379 50.812 11.283 7.891 1.00 0.00 WT7 H ATOM 54909 H2 TIP3 379 51.133 10.227 8.927 1.00 0.00 WT7 H ATOM 54910 OH2 TIP3 400 42.503 54.563 61.346 1.00 0.00 WT7 O ATOM 54911 H1 TIP3 400 42.186 54.689 62.241 1.00 0.00 WT7 H ATOM 54912 H2 TIP3 400 43.161 55.247 61.227 1.00 0.00 WT7 H ATOM 54913 OH2 TIP3 417 60.165 65.095 46.356 1.00 0.00 WT7 O ATOM 54914 H1 TIP3 417 59.243 65.313 46.218 1.00 0.00 WT7 H ATOM 54915 H2 TIP3 417 60.203 64.773 47.257 1.00 0.00 WT7 H ATOM 54916 OH2 TIP3 449 89.686 26.276 -13.432 1.00 0.00 WT7 O ATOM 54917 H1 TIP3 449 89.191 25.544 -13.063 1.00 0.00 WT7 H ATOM 54918 H2 TIP3 449 89.952 26.793 -12.672 1.00 0.00 WT7 H ATOM 54919 OH2 TIP3 462 83.129 62.901 31.025 1.00 0.00 WT7 O ATOM 54920 H1 TIP3 462 82.300 62.426 31.088 1.00 0.00 WT7 H ATOM 54921 H2 TIP3 462 83.042 63.618 31.654 1.00 0.00 WT7 H ATOM 54922 OH2 TIP3 463 21.769 74.993 -8.482 1.00 0.00 WT7 O ATOM 54923 H1 TIP3 463 22.331 75.557 -7.951 1.00 0.00 WT7 H ATOM 54924 H2 TIP3 463 21.256 74.496 -7.845 1.00 0.00 WT7 H ATOM 54925 OH2 TIP3 485 65.533 90.599 -9.399 1.00 0.00 WT7 O ATOM 54926 H1 TIP3 485 66.439 90.614 -9.089 1.00 0.00 WT7 H ATOM 54927 H2 TIP3 485 65.436 91.412 -9.895 1.00 0.00 WT7 H ATOM 54928 OH2 TIP3 486 43.916 46.365 -16.059 1.00 0.00 WT7 O ATOM 54929 H1 TIP3 486 44.580 46.246 -16.739 1.00 0.00 WT7 H ATOM 54930 H2 TIP3 486 43.968 47.293 -15.833 1.00 0.00 WT7 H ATOM 54931 OH2 TIP3 489 58.475 81.546 26.286 1.00 0.00 WT7 O ATOM 54932 H1 TIP3 489 57.677 81.288 26.747 1.00 0.00 WT7 H ATOM 54933 H2 TIP3 489 58.987 80.739 26.223 1.00 0.00 WT7 H ATOM 54934 OH2 TIP3 490 78.377 77.796 37.814 1.00 0.00 WT7 O ATOM 54935 H1 TIP3 490 77.605 77.535 38.316 1.00 0.00 WT7 H ATOM 54936 H2 TIP3 490 78.178 77.536 36.914 1.00 0.00 WT7 H ATOM 54937 OH2 TIP3 491 78.649 50.213 2.712 1.00 0.00 WT7 O ATOM 54938 H1 TIP3 491 79.274 50.149 3.434 1.00 0.00 WT7 H ATOM 54939 H2 TIP3 491 77.847 50.543 3.118 1.00 0.00 WT7 H ATOM 54940 OH2 TIP3 494 77.609 81.222 16.618 1.00 0.00 WT7 O ATOM 54941 H1 TIP3 494 77.815 80.621 17.334 1.00 0.00 WT7 H ATOM 54942 H2 TIP3 494 78.406 81.246 16.089 1.00 0.00 WT7 H ATOM 54943 OH2 TIP3 501 49.229 0.099 20.518 1.00 0.00 WT7 O ATOM 54944 H1 TIP3 501 49.208 1.054 20.587 1.00 0.00 WT7 H ATOM 54945 H2 TIP3 501 48.317 -0.151 20.373 1.00 0.00 WT7 H ATOM 54946 OH2 TIP3 502 21.833 51.521 47.148 1.00 0.00 WT7 O ATOM 54947 H1 TIP3 502 22.055 51.939 47.980 1.00 0.00 WT7 H ATOM 54948 H2 TIP3 502 22.663 51.165 46.830 1.00 0.00 WT7 H ATOM 54949 OH2 TIP3 503 23.555 36.490 18.237 1.00 0.00 WT7 O ATOM 54950 H1 TIP3 503 22.925 36.460 18.957 1.00 0.00 WT7 H ATOM 54951 H2 TIP3 503 23.957 37.356 18.306 1.00 0.00 WT7 H ATOM 54952 OH2 TIP3 506 57.553 39.077 53.811 1.00 0.00 WT7 O ATOM 54953 H1 TIP3 506 56.732 38.608 53.665 1.00 0.00 WT7 H ATOM 54954 H2 TIP3 506 57.284 39.945 54.113 1.00 0.00 WT7 H ATOM 54955 OH2 TIP3 509 29.124 23.740 -14.326 1.00 0.00 WT7 O ATOM 54956 H1 TIP3 509 29.510 22.938 -14.678 1.00 0.00 WT7 H ATOM 54957 H2 TIP3 509 29.812 24.117 -13.778 1.00 0.00 WT7 H ATOM 54958 OH2 TIP3 511 72.478 9.556 -0.004 1.00 0.00 WT7 O ATOM 54959 H1 TIP3 511 72.652 10.001 -0.833 1.00 0.00 WT7 H ATOM 54960 H2 TIP3 511 73.316 9.161 0.237 1.00 0.00 WT7 H ATOM 54961 OH2 TIP3 515 30.792 70.387 -15.673 1.00 0.00 WT7 O ATOM 54962 H1 TIP3 515 31.708 70.445 -15.943 1.00 0.00 WT7 H ATOM 54963 H2 TIP3 515 30.622 69.447 -15.600 1.00 0.00 WT7 H ATOM 54964 OH2 TIP3 516 29.848 48.659 23.727 1.00 0.00 WT7 O ATOM 54965 H1 TIP3 516 29.529 49.087 22.933 1.00 0.00 WT7 H ATOM 54966 H2 TIP3 516 30.474 49.280 24.101 1.00 0.00 WT7 H ATOM 54967 OH2 TIP3 520 67.196 58.344 61.886 1.00 0.00 WT7 O ATOM 54968 H1 TIP3 520 67.234 59.250 61.579 1.00 0.00 WT7 H ATOM 54969 H2 TIP3 520 67.610 57.836 61.188 1.00 0.00 WT7 H ATOM 54970 OH2 TIP3 526 68.659 95.966 -17.458 1.00 0.00 WT7 O ATOM 54971 H1 TIP3 526 68.137 95.510 -16.799 1.00 0.00 WT7 H ATOM 54972 H2 TIP3 526 68.665 96.879 -17.170 1.00 0.00 WT7 H ATOM 54973 OH2 TIP3 540 63.668 41.615 -14.051 1.00 0.00 WT7 O ATOM 54974 H1 TIP3 540 64.068 42.213 -13.420 1.00 0.00 WT7 H ATOM 54975 H2 TIP3 540 64.404 41.280 -14.563 1.00 0.00 WT7 H ATOM 54976 OH2 TIP3 541 79.869 89.599 -15.196 1.00 0.00 WT7 O ATOM 54977 H1 TIP3 541 80.762 89.323 -15.405 1.00 0.00 WT7 H ATOM 54978 H2 TIP3 541 79.888 90.552 -15.276 1.00 0.00 WT7 H ATOM 54979 OH2 TIP3 548 70.284 78.595 -11.899 1.00 0.00 WT7 O ATOM 54980 H1 TIP3 548 71.140 78.540 -12.324 1.00 0.00 WT7 H ATOM 54981 H2 TIP3 548 70.416 78.193 -11.041 1.00 0.00 WT7 H ATOM 54982 OH2 TIP3 550 22.985 44.872 -0.604 1.00 0.00 WT7 O ATOM 54983 H1 TIP3 550 22.943 43.996 -0.221 1.00 0.00 WT7 H ATOM 54984 H2 TIP3 550 23.380 45.414 0.079 1.00 0.00 WT7 H ATOM 54985 OH2 TIP3 551 87.757 76.326 63.775 1.00 0.00 WT7 O ATOM 54986 H1 TIP3 551 87.842 75.609 63.146 1.00 0.00 WT7 H ATOM 54987 H2 TIP3 551 87.845 77.120 63.247 1.00 0.00 WT7 H ATOM 54988 OH2 TIP3 555 64.894 47.568 28.026 1.00 0.00 WT7 O ATOM 54989 H1 TIP3 555 64.251 47.324 27.361 1.00 0.00 WT7 H ATOM 54990 H2 TIP3 555 64.746 48.502 28.173 1.00 0.00 WT7 H ATOM 54991 OH2 TIP3 556 30.435 77.361 -12.975 1.00 0.00 WT7 O ATOM 54992 H1 TIP3 556 30.517 78.054 -12.320 1.00 0.00 WT7 H ATOM 54993 H2 TIP3 556 30.386 76.553 -12.466 1.00 0.00 WT7 H ATOM 54994 OH2 TIP3 562 64.111 10.390 63.181 1.00 0.00 WT7 O ATOM 54995 H1 TIP3 562 64.817 11.016 63.343 1.00 0.00 WT7 H ATOM 54996 H2 TIP3 562 63.768 10.184 64.050 1.00 0.00 WT7 H ATOM 54997 OH2 TIP3 564 84.837 62.593 39.587 1.00 0.00 WT7 O ATOM 54998 H1 TIP3 564 84.190 61.890 39.526 1.00 0.00 WT7 H ATOM 54999 H2 TIP3 564 84.547 63.242 38.946 1.00 0.00 WT7 H ATOM 55000 OH2 TIP3 573 38.132 4.115 -2.832 1.00 0.00 WT7 O ATOM 55001 H1 TIP3 573 37.503 4.209 -3.547 1.00 0.00 WT7 H ATOM 55002 H2 TIP3 573 38.697 3.391 -3.103 1.00 0.00 WT7 H ATOM 55003 OH2 TIP3 575 76.596 77.447 29.478 1.00 0.00 WT7 O ATOM 55004 H1 TIP3 575 76.962 76.950 30.211 1.00 0.00 WT7 H ATOM 55005 H2 TIP3 575 76.053 76.814 29.008 1.00 0.00 WT7 H ATOM 55006 OH2 TIP3 576 57.500 3.453 33.523 1.00 0.00 WT7 O ATOM 55007 H1 TIP3 576 56.845 3.402 34.220 1.00 0.00 WT7 H ATOM 55008 H2 TIP3 576 57.442 2.607 33.078 1.00 0.00 WT7 H ATOM 55009 OH2 TIP3 578 56.235 1.770 18.613 1.00 0.00 WT7 O ATOM 55010 H1 TIP3 578 56.861 1.117 18.926 1.00 0.00 WT7 H ATOM 55011 H2 TIP3 578 56.073 2.331 19.371 1.00 0.00 WT7 H ATOM 55012 OH2 TIP3 584 44.855 67.787 -0.826 1.00 0.00 WT7 O ATOM 55013 H1 TIP3 584 44.413 68.251 -0.115 1.00 0.00 WT7 H ATOM 55014 H2 TIP3 584 45.677 67.485 -0.441 1.00 0.00 WT7 H ATOM 55015 OH2 TIP3 586 55.749 89.022 -4.689 1.00 0.00 WT7 O ATOM 55016 H1 TIP3 586 56.272 89.809 -4.840 1.00 0.00 WT7 H ATOM 55017 H2 TIP3 586 55.251 88.906 -5.498 1.00 0.00 WT7 H ATOM 55018 OH2 TIP3 591 23.110 39.084 1.364 1.00 0.00 WT7 O ATOM 55019 H1 TIP3 591 23.917 38.650 1.639 1.00 0.00 WT7 H ATOM 55020 H2 TIP3 591 23.325 39.477 0.518 1.00 0.00 WT7 H ATOM 55021 OH2 TIP3 593 68.977 85.879 14.159 1.00 0.00 WT7 O ATOM 55022 H1 TIP3 593 69.164 85.238 13.473 1.00 0.00 WT7 H ATOM 55023 H2 TIP3 593 68.033 86.029 14.097 1.00 0.00 WT7 H ATOM 55024 OH2 TIP3 594 27.605 42.542 39.516 1.00 0.00 WT7 O ATOM 55025 H1 TIP3 594 28.473 42.848 39.779 1.00 0.00 WT7 H ATOM 55026 H2 TIP3 594 27.665 42.436 38.567 1.00 0.00 WT7 H ATOM 55027 OH2 TIP3 599 49.852 52.181 59.502 1.00 0.00 WT7 O ATOM 55028 H1 TIP3 599 50.790 52.305 59.647 1.00 0.00 WT7 H ATOM 55029 H2 TIP3 599 49.537 53.040 59.219 1.00 0.00 WT7 H ATOM 55030 OH2 TIP3 602 61.447 68.978 55.199 1.00 0.00 WT7 O ATOM 55031 H1 TIP3 602 61.456 68.575 54.330 1.00 0.00 WT7 H ATOM 55032 H2 TIP3 602 62.357 68.937 55.491 1.00 0.00 WT7 H ATOM 55033 OH2 TIP3 606 29.954 58.809 6.089 1.00 0.00 WT7 O ATOM 55034 H1 TIP3 606 29.095 59.179 6.290 1.00 0.00 WT7 H ATOM 55035 H2 TIP3 606 30.050 58.079 6.700 1.00 0.00 WT7 H ATOM 55036 OH2 TIP3 626 21.493 64.762 -18.397 1.00 0.00 WT7 O ATOM 55037 H1 TIP3 626 21.476 65.686 -18.147 1.00 0.00 WT7 H ATOM 55038 H2 TIP3 626 22.304 64.662 -18.894 1.00 0.00 WT7 H ATOM 55039 OH2 TIP3 638 22.467 18.154 -6.505 1.00 0.00 WT7 O ATOM 55040 H1 TIP3 638 21.942 18.496 -5.782 1.00 0.00 WT7 H ATOM 55041 H2 TIP3 638 22.228 18.700 -7.254 1.00 0.00 WT7 H ATOM 55042 OH2 TIP3 639 81.424 48.368 9.551 1.00 0.00 WT7 O ATOM 55043 H1 TIP3 639 81.452 47.910 8.711 1.00 0.00 WT7 H ATOM 55044 H2 TIP3 639 82.282 48.204 9.942 1.00 0.00 WT7 H ATOM 55045 OH2 TIP3 649 42.479 84.521 29.640 1.00 0.00 WT7 O ATOM 55046 H1 TIP3 649 42.785 84.980 28.858 1.00 0.00 WT7 H ATOM 55047 H2 TIP3 649 42.739 85.086 30.368 1.00 0.00 WT7 H ATOM 55048 OH2 TIP3 650 74.115 0.436 54.396 1.00 0.00 WT7 O ATOM 55049 H1 TIP3 650 73.730 0.296 55.262 1.00 0.00 WT7 H ATOM 55050 H2 TIP3 650 73.491 1.005 53.945 1.00 0.00 WT7 H ATOM 55051 OH2 TIP3 662 45.165 58.921 -9.765 1.00 0.00 WT7 O ATOM 55052 H1 TIP3 662 44.806 58.781 -8.889 1.00 0.00 WT7 H ATOM 55053 H2 TIP3 662 46.041 59.277 -9.612 1.00 0.00 WT7 H ATOM 55054 OH2 TIP3 666 42.515 28.635 66.624 1.00 0.00 WT7 O ATOM 55055 H1 TIP3 666 41.860 29.315 66.464 1.00 0.00 WT7 H ATOM 55056 H2 TIP3 666 42.957 28.913 67.426 1.00 0.00 WT7 H ATOM 55057 OH2 TIP3 668 24.595 68.789 61.982 1.00 0.00 WT7 O ATOM 55058 H1 TIP3 668 24.448 69.531 61.395 1.00 0.00 WT7 H ATOM 55059 H2 TIP3 668 25.041 68.139 61.440 1.00 0.00 WT7 H ATOM 55060 OH2 TIP3 711 83.166 94.154 -6.607 1.00 0.00 WT7 O ATOM 55061 H1 TIP3 711 82.370 93.892 -6.145 1.00 0.00 WT7 H ATOM 55062 H2 TIP3 711 83.423 94.979 -6.195 1.00 0.00 WT7 H ATOM 55063 OH2 TIP3 822 72.735 64.963 15.753 1.00 0.00 WT7 O ATOM 55064 H1 TIP3 822 72.768 65.148 16.692 1.00 0.00 WT7 H ATOM 55065 H2 TIP3 822 71.986 64.376 15.651 1.00 0.00 WT7 H ATOM 55066 OH2 TIP3 836 47.650 2.324 47.369 1.00 0.00 WT7 O ATOM 55067 H1 TIP3 836 46.974 1.694 47.620 1.00 0.00 WT7 H ATOM 55068 H2 TIP3 836 48.471 1.837 47.442 1.00 0.00 WT7 H ATOM 55069 OH2 TIP3 852 39.282 60.274 57.049 1.00 0.00 WT7 O ATOM 55070 H1 TIP3 852 39.589 60.540 56.182 1.00 0.00 WT7 H ATOM 55071 H2 TIP3 852 38.550 59.682 56.873 1.00 0.00 WT7 H ATOM 55072 OH2 TIP3 854 65.445 0.123 29.323 1.00 0.00 WT7 O ATOM 55073 H1 TIP3 854 65.632 0.345 30.235 1.00 0.00 WT7 H ATOM 55074 H2 TIP3 854 66.001 0.713 28.813 1.00 0.00 WT7 H ATOM 55075 OH2 TIP3 860 47.461 71.302 33.263 1.00 0.00 WT7 O ATOM 55076 H1 TIP3 860 47.465 72.259 33.280 1.00 0.00 WT7 H ATOM 55077 H2 TIP3 860 48.358 71.054 33.490 1.00 0.00 WT7 H ATOM 55078 OH2 TIP3 889 77.858 78.469 -2.114 1.00 0.00 WT7 O ATOM 55079 H1 TIP3 889 78.221 79.349 -2.006 1.00 0.00 WT7 H ATOM 55080 H2 TIP3 889 78.371 78.083 -2.823 1.00 0.00 WT7 H ATOM 55081 OH2 TIP3 892 29.090 12.935 -8.772 1.00 0.00 WT7 O ATOM 55082 H1 TIP3 892 29.125 12.426 -9.582 1.00 0.00 WT7 H ATOM 55083 H2 TIP3 892 28.873 12.295 -8.095 1.00 0.00 WT7 H ATOM 55084 OH2 TIP3 895 31.461 84.601 30.061 1.00 0.00 WT7 O ATOM 55085 H1 TIP3 895 31.423 83.688 29.776 1.00 0.00 WT7 H ATOM 55086 H2 TIP3 895 31.478 84.554 31.017 1.00 0.00 WT7 H ATOM 55087 OH2 TIP3 908 46.320 69.290 -17.076 1.00 0.00 WT7 O ATOM 55088 H1 TIP3 908 45.448 69.583 -16.815 1.00 0.00 WT7 H ATOM 55089 H2 TIP3 908 46.509 68.550 -16.499 1.00 0.00 WT7 H ATOM 55090 OH2 TIP3 919 69.006 86.365 30.462 1.00 0.00 WT7 O ATOM 55091 H1 TIP3 919 68.055 86.461 30.396 1.00 0.00 WT7 H ATOM 55092 H2 TIP3 919 69.337 86.664 29.616 1.00 0.00 WT7 H ATOM 55093 OH2 TIP3 928 75.139 58.770 -16.728 1.00 0.00 WT7 O ATOM 55094 H1 TIP3 928 74.661 59.457 -16.263 1.00 0.00 WT7 H ATOM 55095 H2 TIP3 928 76.011 58.777 -16.335 1.00 0.00 WT7 H ATOM 55096 OH2 TIP3 930 21.618 96.276 -8.244 1.00 0.00 WT7 O ATOM 55097 H1 TIP3 930 21.795 95.634 -7.557 1.00 0.00 WT7 H ATOM 55098 H2 TIP3 930 20.690 96.485 -8.144 1.00 0.00 WT7 H ATOM 55099 OH2 TIP3 933 78.081 56.284 14.835 1.00 0.00 WT7 O ATOM 55100 H1 TIP3 933 78.136 55.811 15.666 1.00 0.00 WT7 H ATOM 55101 H2 TIP3 933 77.468 56.999 15.007 1.00 0.00 WT7 H ATOM 55102 OH2 TIP3 936 36.245 84.741 10.857 1.00 0.00 WT7 O ATOM 55103 H1 TIP3 936 36.988 84.897 10.273 1.00 0.00 WT7 H ATOM 55104 H2 TIP3 936 35.920 83.876 10.607 1.00 0.00 WT7 H ATOM 55105 OH2 TIP3 940 54.012 95.488 18.020 1.00 0.00 WT7 O ATOM 55106 H1 TIP3 940 54.185 95.676 18.942 1.00 0.00 WT7 H ATOM 55107 H2 TIP3 940 54.405 96.222 17.548 1.00 0.00 WT7 H ATOM 55108 OH2 TIP3 944 65.631 17.031 40.761 1.00 0.00 WT7 O ATOM 55109 H1 TIP3 944 65.782 16.124 40.497 1.00 0.00 WT7 H ATOM 55110 H2 TIP3 944 65.395 17.481 39.950 1.00 0.00 WT7 H ATOM 55111 OH2 TIP3 954 23.551 4.427 6.004 1.00 0.00 WT7 O ATOM 55112 H1 TIP3 954 24.080 4.776 6.722 1.00 0.00 WT7 H ATOM 55113 H2 TIP3 954 24.147 3.849 5.527 1.00 0.00 WT7 H ATOM 55114 OH2 TIP3 958 41.200 69.147 27.483 1.00 0.00 WT7 O ATOM 55115 H1 TIP3 958 41.045 68.784 26.611 1.00 0.00 WT7 H ATOM 55116 H2 TIP3 958 42.124 69.397 27.478 1.00 0.00 WT7 H ATOM 55117 OH2 TIP3 960 58.655 60.939 32.657 1.00 0.00 WT7 O ATOM 55118 H1 TIP3 960 57.876 60.409 32.822 1.00 0.00 WT7 H ATOM 55119 H2 TIP3 960 58.395 61.538 31.957 1.00 0.00 WT7 H ATOM 55120 OH2 TIP3 978 56.838 23.908 20.037 1.00 0.00 WT7 O ATOM 55121 H1 TIP3 978 56.076 23.816 20.608 1.00 0.00 WT7 H ATOM 55122 H2 TIP3 978 56.524 24.431 19.299 1.00 0.00 WT7 H ATOM 55123 OH2 TIP3 981 86.401 50.897 32.797 1.00 0.00 WT7 O ATOM 55124 H1 TIP3 981 85.454 50.800 32.698 1.00 0.00 WT7 H ATOM 55125 H2 TIP3 981 86.516 51.245 33.681 1.00 0.00 WT7 H ATOM 55126 OH2 TIP3 982 47.975 48.127 49.282 1.00 0.00 WT7 O ATOM 55127 H1 TIP3 982 48.002 49.081 49.206 1.00 0.00 WT7 H ATOM 55128 H2 TIP3 982 47.535 47.836 48.484 1.00 0.00 WT7 H ATOM 55129 OH2 TIP3 983 86.077 84.057 48.368 1.00 0.00 WT7 O ATOM 55130 H1 TIP3 983 85.316 84.639 48.378 1.00 0.00 WT7 H ATOM 55131 H2 TIP3 983 86.034 83.621 47.517 1.00 0.00 WT7 H ATOM 55132 OH2 TIP3 986 41.409 90.940 28.854 1.00 0.00 WT7 O ATOM 55133 H1 TIP3 986 40.593 91.301 28.508 1.00 0.00 WT7 H ATOM 55134 H2 TIP3 986 42.077 91.205 28.222 1.00 0.00 WT7 H ATOM 55135 OH2 TIP3 993 31.194 12.991 38.635 1.00 0.00 WT7 O ATOM 55136 H1 TIP3 993 31.366 13.483 37.832 1.00 0.00 WT7 H ATOM 55137 H2 TIP3 993 30.368 12.537 38.466 1.00 0.00 WT7 H ATOM 55138 OH2 TIP3 999 60.661 9.793 7.801 1.00 0.00 WT7 O ATOM 55139 H1 TIP3 999 60.442 9.420 6.947 1.00 0.00 WT7 H ATOM 55140 H2 TIP3 999 59.904 9.592 8.352 1.00 0.00 WT7 H ATOM 55141 OH2 TIP3 1013 74.883 16.234 -8.694 1.00 0.00 WT7 O ATOM 55142 H1 TIP3 1013 73.983 16.034 -8.955 1.00 0.00 WT7 H ATOM 55143 H2 TIP3 1013 75.147 16.949 -9.273 1.00 0.00 WT7 H ATOM 55144 OH2 TIP3 1018 27.061 5.419 13.108 1.00 0.00 WT7 O ATOM 55145 H1 TIP3 1018 27.841 5.083 12.666 1.00 0.00 WT7 H ATOM 55146 H2 TIP3 1018 27.385 5.755 13.944 1.00 0.00 WT7 H ATOM 55147 OH2 TIP3 1019 65.279 51.915 15.735 1.00 0.00 WT7 O ATOM 55148 H1 TIP3 1019 65.063 51.033 16.036 1.00 0.00 WT7 H ATOM 55149 H2 TIP3 1019 64.430 52.330 15.579 1.00 0.00 WT7 H ATOM 55150 OH2 TIP3 1024 56.280 81.599 2.589 1.00 0.00 WT7 O ATOM 55151 H1 TIP3 1024 55.574 82.034 2.111 1.00 0.00 WT7 H ATOM 55152 H2 TIP3 1024 55.832 81.051 3.233 1.00 0.00 WT7 H ATOM 55153 OH2 TIP3 1025 75.967 19.902 52.652 1.00 0.00 WT7 O ATOM 55154 H1 TIP3 1025 76.243 19.157 52.118 1.00 0.00 WT7 H ATOM 55155 H2 TIP3 1025 75.850 20.616 52.026 1.00 0.00 WT7 H ATOM 55156 OH2 TIP3 1043 34.395 58.385 -8.724 1.00 0.00 WT7 O ATOM 55157 H1 TIP3 1043 33.928 57.556 -8.834 1.00 0.00 WT7 H ATOM 55158 H2 TIP3 1043 33.807 58.923 -8.194 1.00 0.00 WT7 H ATOM 55159 OH2 TIP3 1048 37.360 2.410 37.213 1.00 0.00 WT7 O ATOM 55160 H1 TIP3 1048 38.255 2.096 37.344 1.00 0.00 WT7 H ATOM 55161 H2 TIP3 1048 37.167 2.208 36.297 1.00 0.00 WT7 H ATOM 55162 OH2 TIP3 1052 66.371 75.907 7.941 1.00 0.00 WT7 O ATOM 55163 H1 TIP3 1052 66.600 75.247 8.595 1.00 0.00 WT7 H ATOM 55164 H2 TIP3 1052 65.477 76.166 8.164 1.00 0.00 WT7 H ATOM 55165 OH2 TIP3 1061 55.384 95.915 3.192 1.00 0.00 WT7 O ATOM 55166 H1 TIP3 1061 55.283 96.708 3.719 1.00 0.00 WT7 H ATOM 55167 H2 TIP3 1061 55.341 95.199 3.826 1.00 0.00 WT7 H ATOM 55168 OH2 TIP3 1071 52.682 44.273 -2.858 1.00 0.00 WT7 O ATOM 55169 H1 TIP3 1071 53.495 44.547 -2.434 1.00 0.00 WT7 H ATOM 55170 H2 TIP3 1071 52.141 43.935 -2.144 1.00 0.00 WT7 H ATOM 55171 OH2 TIP3 1076 30.169 80.671 10.530 1.00 0.00 WT7 O ATOM 55172 H1 TIP3 1076 29.713 80.467 11.346 1.00 0.00 WT7 H ATOM 55173 H2 TIP3 1076 31.076 80.408 10.690 1.00 0.00 WT7 H ATOM 55174 OH2 TIP3 1098 65.874 14.361 40.109 1.00 0.00 WT7 O ATOM 55175 H1 TIP3 1098 66.049 14.129 41.021 1.00 0.00 WT7 H ATOM 55176 H2 TIP3 1098 66.575 13.937 39.615 1.00 0.00 WT7 H ATOM 55177 OH2 TIP3 1122 35.276 30.067 44.588 1.00 0.00 WT7 O ATOM 55178 H1 TIP3 1122 35.726 29.999 43.745 1.00 0.00 WT7 H ATOM 55179 H2 TIP3 1122 35.777 30.721 45.075 1.00 0.00 WT7 H ATOM 55180 OH2 TIP3 1138 84.108 87.475 -1.533 1.00 0.00 WT7 O ATOM 55181 H1 TIP3 1138 84.891 87.240 -2.032 1.00 0.00 WT7 H ATOM 55182 H2 TIP3 1138 83.470 87.734 -2.197 1.00 0.00 WT7 H ATOM 55183 OH2 TIP3 1253 88.427 62.512 17.587 1.00 0.00 WT7 O ATOM 55184 H1 TIP3 1253 88.686 63.348 17.199 1.00 0.00 WT7 H ATOM 55185 H2 TIP3 1253 88.980 61.864 17.151 1.00 0.00 WT7 H ATOM 55186 OH2 TIP3 1298 59.191 48.346 49.425 1.00 0.00 WT7 O ATOM 55187 H1 TIP3 1298 58.705 48.055 48.654 1.00 0.00 WT7 H ATOM 55188 H2 TIP3 1298 59.207 49.301 49.352 1.00 0.00 WT7 H ATOM 55189 OH2 TIP3 1301 34.824 68.945 61.988 1.00 0.00 WT7 O ATOM 55190 H1 TIP3 1301 35.257 68.163 62.330 1.00 0.00 WT7 H ATOM 55191 H2 TIP3 1301 34.181 69.175 62.659 1.00 0.00 WT7 H ATOM 55192 OH2 TIP3 1354 70.044 0.807 66.002 1.00 0.00 WT7 O ATOM 55193 H1 TIP3 1354 69.149 0.468 66.039 1.00 0.00 WT7 H ATOM 55194 H2 TIP3 1354 70.597 0.026 66.005 1.00 0.00 WT7 H ATOM 55195 OH2 TIP3 1370 55.318 93.954 21.491 1.00 0.00 WT7 O ATOM 55196 H1 TIP3 1370 54.772 93.182 21.646 1.00 0.00 WT7 H ATOM 55197 H2 TIP3 1370 55.986 93.655 20.874 1.00 0.00 WT7 H ATOM 55198 OH2 TIP3 1381 82.756 60.429 59.783 1.00 0.00 WT7 O ATOM 55199 H1 TIP3 1381 82.152 60.503 60.522 1.00 0.00 WT7 H ATOM 55200 H2 TIP3 1381 82.205 60.157 59.049 1.00 0.00 WT7 H ATOM 55201 OH2 TIP3 1382 30.998 90.118 49.145 1.00 0.00 WT7 O ATOM 55202 H1 TIP3 1382 31.736 89.849 48.599 1.00 0.00 WT7 H ATOM 55203 H2 TIP3 1382 31.240 90.986 49.466 1.00 0.00 WT7 H ATOM 55204 OH2 TIP3 1383 87.668 92.191 29.641 1.00 0.00 WT7 O ATOM 55205 H1 TIP3 1383 87.364 92.676 28.874 1.00 0.00 WT7 H ATOM 55206 H2 TIP3 1383 88.364 92.735 30.009 1.00 0.00 WT7 H ATOM 55207 OH2 TIP3 1387 87.402 66.146 -10.993 1.00 0.00 WT7 O ATOM 55208 H1 TIP3 1387 86.844 66.916 -11.100 1.00 0.00 WT7 H ATOM 55209 H2 TIP3 1387 86.796 65.405 -11.023 1.00 0.00 WT7 H ATOM 55210 OH2 TIP3 1395 20.892 57.551 20.623 1.00 0.00 WT7 O ATOM 55211 H1 TIP3 1395 21.773 57.177 20.606 1.00 0.00 WT7 H ATOM 55212 H2 TIP3 1395 20.348 56.866 21.012 1.00 0.00 WT7 H ATOM 55213 OH2 TIP3 1399 88.039 37.550 3.502 1.00 0.00 WT7 O ATOM 55214 H1 TIP3 1399 88.401 38.193 4.111 1.00 0.00 WT7 H ATOM 55215 H2 TIP3 1399 88.510 36.740 3.699 1.00 0.00 WT7 H ATOM 55216 OH2 TIP3 1401 84.236 48.651 -6.587 1.00 0.00 WT7 O ATOM 55217 H1 TIP3 1401 84.725 48.890 -5.799 1.00 0.00 WT7 H ATOM 55218 H2 TIP3 1401 84.674 49.126 -7.294 1.00 0.00 WT7 H ATOM 55219 OH2 TIP3 1408 52.114 77.815 48.770 1.00 0.00 WT7 O ATOM 55220 H1 TIP3 1408 52.430 77.546 49.632 1.00 0.00 WT7 H ATOM 55221 H2 TIP3 1408 51.470 77.148 48.532 1.00 0.00 WT7 H ATOM 55222 OH2 TIP3 1409 83.542 16.187 41.298 1.00 0.00 WT7 O ATOM 55223 H1 TIP3 1409 84.030 15.443 40.945 1.00 0.00 WT7 H ATOM 55224 H2 TIP3 1409 83.933 16.952 40.877 1.00 0.00 WT7 H ATOM 55225 OH2 TIP3 1414 76.965 70.938 32.094 1.00 0.00 WT7 O ATOM 55226 H1 TIP3 1414 76.339 70.726 32.787 1.00 0.00 WT7 H ATOM 55227 H2 TIP3 1414 76.654 70.450 31.332 1.00 0.00 WT7 H ATOM 55228 OH2 TIP3 1429 75.262 25.772 63.744 1.00 0.00 WT7 O ATOM 55229 H1 TIP3 1429 74.728 25.661 64.531 1.00 0.00 WT7 H ATOM 55230 H2 TIP3 1429 75.060 26.657 63.440 1.00 0.00 WT7 H ATOM 55231 OH2 TIP3 1433 88.114 2.124 56.990 1.00 0.00 WT7 O ATOM 55232 H1 TIP3 1433 87.674 1.318 57.259 1.00 0.00 WT7 H ATOM 55233 H2 TIP3 1433 88.005 2.716 57.735 1.00 0.00 WT7 H ATOM 55234 OH2 TIP3 1436 61.086 56.168 27.645 1.00 0.00 WT7 O ATOM 55235 H1 TIP3 1436 60.346 56.158 28.251 1.00 0.00 WT7 H ATOM 55236 H2 TIP3 1436 60.829 55.572 26.942 1.00 0.00 WT7 H ATOM 55237 OH2 TIP3 1440 79.729 53.689 -17.662 1.00 0.00 WT7 O ATOM 55238 H1 TIP3 1440 79.578 53.259 -16.820 1.00 0.00 WT7 H ATOM 55239 H2 TIP3 1440 79.023 54.332 -17.733 1.00 0.00 WT7 H ATOM 55240 OH2 TIP3 1445 69.783 77.831 41.169 1.00 0.00 WT7 O ATOM 55241 H1 TIP3 1445 70.123 78.146 40.331 1.00 0.00 WT7 H ATOM 55242 H2 TIP3 1445 69.359 76.999 40.958 1.00 0.00 WT7 H ATOM 55243 OH2 TIP3 1451 88.665 92.129 -14.852 1.00 0.00 WT7 O ATOM 55244 H1 TIP3 1451 88.441 92.030 -15.777 1.00 0.00 WT7 H ATOM 55245 H2 TIP3 1451 89.566 92.454 -14.857 1.00 0.00 WT7 H ATOM 55246 OH2 TIP3 1459 45.997 88.074 3.252 1.00 0.00 WT7 O ATOM 55247 H1 TIP3 1459 46.495 88.868 3.446 1.00 0.00 WT7 H ATOM 55248 H2 TIP3 1459 46.624 87.498 2.816 1.00 0.00 WT7 H ATOM 55249 OH2 TIP3 1476 21.416 26.360 61.001 1.00 0.00 WT7 O ATOM 55250 H1 TIP3 1476 22.302 26.111 60.739 1.00 0.00 WT7 H ATOM 55251 H2 TIP3 1476 20.861 25.650 60.678 1.00 0.00 WT7 H ATOM 55252 OH2 TIP3 1480 54.622 39.655 -2.060 1.00 0.00 WT7 O ATOM 55253 H1 TIP3 1480 54.048 39.142 -2.629 1.00 0.00 WT7 H ATOM 55254 H2 TIP3 1480 54.060 39.926 -1.334 1.00 0.00 WT7 H ATOM 55255 OH2 TIP3 1486 20.618 70.696 -0.891 1.00 0.00 WT7 O ATOM 55256 H1 TIP3 1486 20.903 70.284 -0.075 1.00 0.00 WT7 H ATOM 55257 H2 TIP3 1486 21.261 70.411 -1.541 1.00 0.00 WT7 H ATOM 55258 OH2 TIP3 1509 74.559 77.589 -9.634 1.00 0.00 WT7 O ATOM 55259 H1 TIP3 1509 73.976 76.851 -9.457 1.00 0.00 WT7 H ATOM 55260 H2 TIP3 1509 73.971 78.332 -9.769 1.00 0.00 WT7 H ATOM 55261 OH2 TIP3 1518 29.569 86.450 26.563 1.00 0.00 WT7 O ATOM 55262 H1 TIP3 1518 29.995 86.374 27.417 1.00 0.00 WT7 H ATOM 55263 H2 TIP3 1518 30.236 86.835 25.995 1.00 0.00 WT7 H ATOM 55264 OH2 TIP3 1524 67.394 82.938 60.916 1.00 0.00 WT7 O ATOM 55265 H1 TIP3 1524 67.004 82.546 61.697 1.00 0.00 WT7 H ATOM 55266 H2 TIP3 1524 67.763 83.766 61.222 1.00 0.00 WT7 H ATOM 55267 OH2 TIP3 1573 80.839 88.833 49.867 1.00 0.00 WT7 O ATOM 55268 H1 TIP3 1573 81.265 89.518 49.351 1.00 0.00 WT7 H ATOM 55269 H2 TIP3 1573 80.385 89.306 50.565 1.00 0.00 WT7 H ATOM 55270 OH2 TIP3 1592 85.712 49.805 12.033 1.00 0.00 WT7 O ATOM 55271 H1 TIP3 1592 85.930 50.732 12.127 1.00 0.00 WT7 H ATOM 55272 H2 TIP3 1592 85.806 49.446 12.915 1.00 0.00 WT7 H ATOM 55273 OH2 TIP3 1618 49.473 11.863 49.726 1.00 0.00 WT7 O ATOM 55274 H1 TIP3 1618 49.749 12.663 49.279 1.00 0.00 WT7 H ATOM 55275 H2 TIP3 1618 48.706 12.125 50.236 1.00 0.00 WT7 H ATOM 55276 OH2 TIP3 1725 51.385 67.675 7.633 1.00 0.00 WT7 O ATOM 55277 H1 TIP3 1725 52.059 67.672 8.312 1.00 0.00 WT7 H ATOM 55278 H2 TIP3 1725 50.705 67.091 7.968 1.00 0.00 WT7 H ATOM 55279 OH2 TIP3 1733 65.537 61.553 29.957 1.00 0.00 WT7 O ATOM 55280 H1 TIP3 1733 64.898 61.380 30.649 1.00 0.00 WT7 H ATOM 55281 H2 TIP3 1733 65.121 62.217 29.407 1.00 0.00 WT7 H ATOM 55282 OH2 TIP3 1771 21.592 35.935 36.176 1.00 0.00 WT7 O ATOM 55283 H1 TIP3 1771 21.086 35.593 36.912 1.00 0.00 WT7 H ATOM 55284 H2 TIP3 1771 20.935 36.292 35.578 1.00 0.00 WT7 H ATOM 55285 OH2 TIP3 1775 68.389 56.716 18.064 1.00 0.00 WT7 O ATOM 55286 H1 TIP3 1775 67.801 56.091 18.488 1.00 0.00 WT7 H ATOM 55287 H2 TIP3 1775 68.421 56.433 17.150 1.00 0.00 WT7 H ATOM 55288 OH2 TIP3 1778 51.505 6.468 8.589 1.00 0.00 WT7 O ATOM 55289 H1 TIP3 1778 51.196 7.230 8.100 1.00 0.00 WT7 H ATOM 55290 H2 TIP3 1778 52.051 6.835 9.285 1.00 0.00 WT7 H ATOM 55291 OH2 TIP3 1779 45.603 48.758 -18.882 1.00 0.00 WT7 O ATOM 55292 H1 TIP3 1779 45.811 49.567 -18.414 1.00 0.00 WT7 H ATOM 55293 H2 TIP3 1779 45.165 49.049 -19.681 1.00 0.00 WT7 H ATOM 55294 OH2 TIP3 1812 84.523 65.199 20.298 1.00 0.00 WT7 O ATOM 55295 H1 TIP3 1812 85.178 64.640 19.880 1.00 0.00 WT7 H ATOM 55296 H2 TIP3 1812 83.734 65.078 19.770 1.00 0.00 WT7 H ATOM 55297 OH2 TIP3 1849 79.227 96.013 -16.966 1.00 0.00 WT7 O ATOM 55298 H1 TIP3 1849 79.734 96.819 -17.067 1.00 0.00 WT7 H ATOM 55299 H2 TIP3 1849 79.767 95.460 -16.401 1.00 0.00 WT7 H ATOM 55300 OH2 TIP3 1853 29.378 28.233 67.165 1.00 0.00 WT7 O ATOM 55301 H1 TIP3 1853 30.124 28.631 66.718 1.00 0.00 WT7 H ATOM 55302 H2 TIP3 1853 28.809 27.928 66.459 1.00 0.00 WT7 H ATOM 55303 OH2 TIP3 1858 38.349 11.207 19.561 1.00 0.00 WT7 O ATOM 55304 H1 TIP3 1858 37.777 11.578 18.890 1.00 0.00 WT7 H ATOM 55305 H2 TIP3 1858 38.804 11.962 19.934 1.00 0.00 WT7 H ATOM 55306 OH2 TIP3 1859 69.296 94.301 26.940 1.00 0.00 WT7 O ATOM 55307 H1 TIP3 1859 68.485 93.864 27.197 1.00 0.00 WT7 H ATOM 55308 H2 TIP3 1859 69.045 94.862 26.206 1.00 0.00 WT7 H ATOM 55309 OH2 TIP3 1864 65.533 86.765 43.939 1.00 0.00 WT7 O ATOM 55310 H1 TIP3 1864 66.311 86.216 43.844 1.00 0.00 WT7 H ATOM 55311 H2 TIP3 1864 65.530 87.018 44.862 1.00 0.00 WT7 H ATOM 55312 OH2 TIP3 1879 90.833 5.324 65.944 1.00 0.00 WT7 O ATOM 55313 H1 TIP3 1879 90.610 4.543 66.450 1.00 0.00 WT7 H ATOM 55314 H2 TIP3 1879 90.228 5.310 65.202 1.00 0.00 WT7 H ATOM 55315 OH2 TIP3 1880 52.324 18.884 -12.893 1.00 0.00 WT7 O ATOM 55316 H1 TIP3 1880 53.012 18.995 -13.549 1.00 0.00 WT7 H ATOM 55317 H2 TIP3 1880 52.299 17.941 -12.728 1.00 0.00 WT7 H ATOM 55318 OH2 TIP3 1882 33.627 51.808 34.693 1.00 0.00 WT7 O ATOM 55319 H1 TIP3 1882 33.852 52.336 35.459 1.00 0.00 WT7 H ATOM 55320 H2 TIP3 1882 34.018 50.952 34.870 1.00 0.00 WT7 H ATOM 55321 OH2 TIP3 1897 79.660 55.898 23.840 1.00 0.00 WT7 O ATOM 55322 H1 TIP3 1897 79.151 55.222 24.286 1.00 0.00 WT7 H ATOM 55323 H2 TIP3 1897 79.068 56.648 23.785 1.00 0.00 WT7 H ATOM 55324 OH2 TIP3 1898 34.001 72.705 -19.234 1.00 0.00 WT7 O ATOM 55325 H1 TIP3 1898 34.046 72.871 -18.292 1.00 0.00 WT7 H ATOM 55326 H2 TIP3 1898 33.163 72.261 -19.360 1.00 0.00 WT7 H ATOM 55327 OH2 TIP3 1925 33.718 35.243 7.232 1.00 0.00 WT7 O ATOM 55328 H1 TIP3 1925 33.132 34.608 6.819 1.00 0.00 WT7 H ATOM 55329 H2 TIP3 1925 34.537 35.167 6.742 1.00 0.00 WT7 H ATOM 55330 OH2 TIP3 1949 68.733 84.132 6.524 1.00 0.00 WT7 O ATOM 55331 H1 TIP3 1949 68.947 83.244 6.809 1.00 0.00 WT7 H ATOM 55332 H2 TIP3 1949 68.169 84.478 7.216 1.00 0.00 WT7 H ATOM 55333 OH2 TIP3 1960 70.681 27.640 31.451 1.00 0.00 WT7 O ATOM 55334 H1 TIP3 1960 70.661 28.451 30.943 1.00 0.00 WT7 H ATOM 55335 H2 TIP3 1960 70.077 27.055 30.992 1.00 0.00 WT7 H ATOM 55336 OH2 TIP3 1965 65.887 89.360 42.879 1.00 0.00 WT7 O ATOM 55337 H1 TIP3 1965 65.880 88.718 43.589 1.00 0.00 WT7 H ATOM 55338 H2 TIP3 1965 65.619 88.864 42.105 1.00 0.00 WT7 H ATOM 55339 OH2 TIP3 1994 86.270 84.753 55.436 1.00 0.00 WT7 O ATOM 55340 H1 TIP3 1994 87.039 84.349 55.033 1.00 0.00 WT7 H ATOM 55341 H2 TIP3 1994 85.659 84.882 54.710 1.00 0.00 WT7 H ATOM 55342 OH2 TIP3 2127 38.704 88.061 -3.242 1.00 0.00 WT7 O ATOM 55343 H1 TIP3 2127 39.221 87.290 -3.473 1.00 0.00 WT7 H ATOM 55344 H2 TIP3 2127 39.291 88.592 -2.704 1.00 0.00 WT7 H ATOM 55345 OH2 TIP3 2231 55.108 65.015 27.805 1.00 0.00 WT7 O ATOM 55346 H1 TIP3 2231 55.568 64.751 28.602 1.00 0.00 WT7 H ATOM 55347 H2 TIP3 2231 55.030 64.208 27.296 1.00 0.00 WT7 H ATOM 55348 OH2 TIP3 2236 69.712 62.693 -11.820 1.00 0.00 WT7 O ATOM 55349 H1 TIP3 2236 69.746 61.758 -11.614 1.00 0.00 WT7 H ATOM 55350 H2 TIP3 2236 69.209 63.078 -11.102 1.00 0.00 WT7 H ATOM 55351 OH2 TIP3 2268 59.932 56.555 23.920 1.00 0.00 WT7 O ATOM 55352 H1 TIP3 2268 59.809 56.239 23.026 1.00 0.00 WT7 H ATOM 55353 H2 TIP3 2268 59.357 57.318 23.987 1.00 0.00 WT7 H ATOM 55354 OH2 TIP3 2270 86.298 2.897 61.079 1.00 0.00 WT7 O ATOM 55355 H1 TIP3 2270 86.569 2.032 61.386 1.00 0.00 WT7 H ATOM 55356 H2 TIP3 2270 85.798 3.265 61.808 1.00 0.00 WT7 H ATOM 55357 OH2 TIP3 2282 68.272 49.669 -17.754 1.00 0.00 WT7 O ATOM 55358 H1 TIP3 2282 67.380 49.791 -18.081 1.00 0.00 WT7 H ATOM 55359 H2 TIP3 2282 68.784 50.345 -18.198 1.00 0.00 WT7 H ATOM 55360 OH2 TIP3 2288 86.567 80.178 2.496 1.00 0.00 WT7 O ATOM 55361 H1 TIP3 2288 86.252 79.280 2.387 1.00 0.00 WT7 H ATOM 55362 H2 TIP3 2288 87.055 80.162 3.320 1.00 0.00 WT7 H ATOM 55363 OH2 TIP3 2293 72.713 38.391 38.069 1.00 0.00 WT7 O ATOM 55364 H1 TIP3 2293 73.554 37.972 37.883 1.00 0.00 WT7 H ATOM 55365 H2 TIP3 2293 72.280 38.448 37.217 1.00 0.00 WT7 H ATOM 55366 OH2 TIP3 2317 28.638 86.656 -17.295 1.00 0.00 WT7 O ATOM 55367 H1 TIP3 2317 28.394 87.309 -16.639 1.00 0.00 WT7 H ATOM 55368 H2 TIP3 2317 28.051 85.918 -17.130 1.00 0.00 WT7 H ATOM 55369 OH2 TIP3 2324 88.093 79.815 66.928 1.00 0.00 WT7 O ATOM 55370 H1 TIP3 2324 88.454 78.937 66.804 1.00 0.00 WT7 H ATOM 55371 H2 TIP3 2324 87.571 79.973 66.142 1.00 0.00 WT7 H ATOM 55372 OH2 TIP3 2327 22.996 61.997 12.983 1.00 0.00 WT7 O ATOM 55373 H1 TIP3 2327 23.556 61.485 13.567 1.00 0.00 WT7 H ATOM 55374 H2 TIP3 2327 23.182 62.908 13.210 1.00 0.00 WT7 H ATOM 55375 OH2 TIP3 2357 22.382 54.146 16.640 1.00 0.00 WT7 O ATOM 55376 H1 TIP3 2357 22.479 54.991 16.202 1.00 0.00 WT7 H ATOM 55377 H2 TIP3 2357 22.828 53.525 16.064 1.00 0.00 WT7 H ATOM 55378 OH2 TIP3 2358 51.893 22.826 0.785 1.00 0.00 WT7 O ATOM 55379 H1 TIP3 2358 52.370 23.589 1.111 1.00 0.00 WT7 H ATOM 55380 H2 TIP3 2358 52.066 22.141 1.431 1.00 0.00 WT7 H ATOM 55381 OH2 TIP3 2408 47.491 53.082 -7.614 1.00 0.00 WT7 O ATOM 55382 H1 TIP3 2408 47.833 53.419 -6.786 1.00 0.00 WT7 H ATOM 55383 H2 TIP3 2408 47.587 53.810 -8.228 1.00 0.00 WT7 H ATOM 55384 OH2 TIP3 2411 37.962 14.763 47.872 1.00 0.00 WT7 O ATOM 55385 H1 TIP3 2411 38.827 14.526 48.207 1.00 0.00 WT7 H ATOM 55386 H2 TIP3 2411 37.870 14.256 47.065 1.00 0.00 WT7 H ATOM 55387 OH2 TIP3 2629 31.168 74.568 50.795 1.00 0.00 WT7 O ATOM 55388 H1 TIP3 2629 30.261 74.268 50.861 1.00 0.00 WT7 H ATOM 55389 H2 TIP3 2629 31.181 75.122 50.014 1.00 0.00 WT7 H ATOM 55390 OH2 TIP3 2644 67.117 20.696 0.439 1.00 0.00 WT7 O ATOM 55391 H1 TIP3 2644 66.576 20.958 1.184 1.00 0.00 WT7 H ATOM 55392 H2 TIP3 2644 67.990 20.567 0.810 1.00 0.00 WT7 H ATOM 55393 OH2 TIP3 2705 29.028 28.662 52.436 1.00 0.00 WT7 O ATOM 55394 H1 TIP3 2705 29.051 29.573 52.143 1.00 0.00 WT7 H ATOM 55395 H2 TIP3 2705 28.119 28.391 52.306 1.00 0.00 WT7 H ATOM 55396 OH2 TIP3 2714 83.253 77.910 11.662 1.00 0.00 WT7 O ATOM 55397 H1 TIP3 2714 82.833 77.822 10.806 1.00 0.00 WT7 H ATOM 55398 H2 TIP3 2714 83.615 78.796 11.662 1.00 0.00 WT7 H ATOM 55399 OH2 TIP3 2759 78.187 85.145 65.739 1.00 0.00 WT7 O ATOM 55400 H1 TIP3 2759 77.629 84.472 66.128 1.00 0.00 WT7 H ATOM 55401 H2 TIP3 2759 78.106 85.895 66.328 1.00 0.00 WT7 H ATOM 55402 OH2 TIP3 2780 69.009 64.226 12.477 1.00 0.00 WT7 O ATOM 55403 H1 TIP3 2780 68.224 63.690 12.363 1.00 0.00 WT7 H ATOM 55404 H2 TIP3 2780 69.270 64.460 11.586 1.00 0.00 WT7 H ATOM 55405 OH2 TIP3 2855 55.178 5.940 13.145 1.00 0.00 WT7 O ATOM 55406 H1 TIP3 2855 54.328 6.027 12.712 1.00 0.00 WT7 H ATOM 55407 H2 TIP3 2855 54.989 6.073 14.073 1.00 0.00 WT7 H ATOM 55408 OH2 TIP3 2872 34.916 92.347 42.477 1.00 0.00 WT7 O ATOM 55409 H1 TIP3 2872 34.437 92.381 43.305 1.00 0.00 WT7 H ATOM 55410 H2 TIP3 2872 35.447 93.143 42.475 1.00 0.00 WT7 H ATOM 55411 OH2 TIP3 2895 32.468 96.175 10.238 1.00 0.00 WT7 O ATOM 55412 H1 TIP3 2895 32.650 95.350 9.788 1.00 0.00 WT7 H ATOM 55413 H2 TIP3 2895 31.538 96.125 10.462 1.00 0.00 WT7 H ATOM 55414 OH2 TIP3 3287 20.513 87.536 2.723 1.00 0.00 WT7 O ATOM 55415 H1 TIP3 3287 19.696 88.009 2.883 1.00 0.00 WT7 H ATOM 55416 H2 TIP3 3287 20.922 88.004 1.994 1.00 0.00 WT7 H ATOM 55417 OH2 TIP3 3294 49.863 77.299 64.739 1.00 0.00 WT7 O ATOM 55418 H1 TIP3 3294 49.587 76.749 64.006 1.00 0.00 WT7 H ATOM 55419 H2 TIP3 3294 50.770 77.043 64.903 1.00 0.00 WT7 H ATOM 55420 OH2 TIP3 3521 58.301 82.060 42.518 1.00 0.00 WT7 O ATOM 55421 H1 TIP3 3521 58.300 81.127 42.308 1.00 0.00 WT7 H ATOM 55422 H2 TIP3 3521 57.378 82.276 42.653 1.00 0.00 WT7 H ATOM 55423 OH2 TIP3 3665 66.054 74.358 18.965 1.00 0.00 WT7 O ATOM 55424 H1 TIP3 3665 65.352 73.868 18.536 1.00 0.00 WT7 H ATOM 55425 H2 TIP3 3665 66.107 73.982 19.844 1.00 0.00 WT7 H ATOM 55426 OH2 TIP3 5421 31.234 58.020 35.044 1.00 0.00 WT7 O ATOM 55427 H1 TIP3 5421 31.485 57.097 35.075 1.00 0.00 WT7 H ATOM 55428 H2 TIP3 5421 30.980 58.169 34.133 1.00 0.00 WT7 H ATOM 55429 OH2 TIP3 6240 55.007 39.623 47.323 1.00 0.00 WT7 O ATOM 55430 H1 TIP3 6240 54.657 40.365 47.816 1.00 0.00 WT7 H ATOM 55431 H2 TIP3 6240 54.811 39.829 46.409 1.00 0.00 WT7 H ATOM 55432 OH2 TIP3 6350 62.502 64.480 30.407 1.00 0.00 WT7 O ATOM 55433 H1 TIP3 6350 62.430 65.004 31.205 1.00 0.00 WT7 H ATOM 55434 H2 TIP3 6350 61.615 64.154 30.253 1.00 0.00 WT7 H ATOM 55435 OH2 TIP3 6628 46.750 12.646 25.110 1.00 0.00 WT7 O ATOM 55436 H1 TIP3 6628 47.199 11.833 24.876 1.00 0.00 WT7 H ATOM 55437 H2 TIP3 6628 47.145 13.309 24.544 1.00 0.00 WT7 H ATOM 55438 OH2 TIP3 6650 83.539 29.255 51.278 1.00 0.00 WT7 O ATOM 55439 H1 TIP3 6650 83.941 29.262 50.410 1.00 0.00 WT7 H ATOM 55440 H2 TIP3 6650 83.632 30.153 51.593 1.00 0.00 WT7 H ATOM 55441 OH2 TIP3 6671 27.539 49.865 61.714 1.00 0.00 WT7 O ATOM 55442 H1 TIP3 6671 26.953 50.515 61.326 1.00 0.00 WT7 H ATOM 55443 H2 TIP3 6671 28.416 50.228 61.589 1.00 0.00 WT7 H ATOM 55444 OH2 TIP3 6751 58.900 84.617 63.657 1.00 0.00 WT7 O ATOM 55445 H1 TIP3 6751 58.124 84.857 64.162 1.00 0.00 WT7 H ATOM 55446 H2 TIP3 6751 59.485 84.210 64.296 1.00 0.00 WT7 H ATOM 55447 OH2 TIP3 6773 40.757 20.325 25.888 1.00 0.00 WT7 O ATOM 55448 H1 TIP3 6773 41.664 20.201 26.169 1.00 0.00 WT7 H ATOM 55449 H2 TIP3 6773 40.387 19.442 25.875 1.00 0.00 WT7 H ATOM 55450 OH2 TIP3 7027 70.129 39.694 -8.432 1.00 0.00 WT7 O ATOM 55451 H1 TIP3 7027 69.376 40.235 -8.193 1.00 0.00 WT7 H ATOM 55452 H2 TIP3 7027 70.037 39.558 -9.375 1.00 0.00 WT7 H ATOM 55453 OH2 TIP3 7114 46.394 46.285 -17.879 1.00 0.00 WT7 O ATOM 55454 H1 TIP3 7114 47.336 46.402 -18.006 1.00 0.00 WT7 H ATOM 55455 H2 TIP3 7114 46.004 47.085 -18.231 1.00 0.00 WT7 H ATOM 55456 OH2 TIP3 7133 66.164 88.407 10.477 1.00 0.00 WT7 O ATOM 55457 H1 TIP3 7133 66.491 87.546 10.738 1.00 0.00 WT7 H ATOM 55458 H2 TIP3 7133 65.223 88.280 10.357 1.00 0.00 WT7 H ATOM 55459 OH2 TIP3 7165 68.853 29.428 -0.635 1.00 0.00 WT7 O ATOM 55460 H1 TIP3 7165 69.307 30.268 -0.708 1.00 0.00 WT7 H ATOM 55461 H2 TIP3 7165 68.548 29.398 0.272 1.00 0.00 WT7 H ATOM 55462 OH2 TIP3 7214 73.386 22.481 -0.034 1.00 0.00 WT7 O ATOM 55463 H1 TIP3 7214 74.342 22.436 -0.008 1.00 0.00 WT7 H ATOM 55464 H2 TIP3 7214 73.170 23.286 0.437 1.00 0.00 WT7 H ATOM 55465 OH2 TIP3 7295 26.532 75.555 63.926 1.00 0.00 WT7 O ATOM 55466 H1 TIP3 7295 27.037 76.031 63.267 1.00 0.00 WT7 H ATOM 55467 H2 TIP3 7295 26.726 76.006 64.748 1.00 0.00 WT7 H ATOM 55468 OH2 TIP3 7532 31.948 85.420 -13.171 1.00 0.00 WT7 O ATOM 55469 H1 TIP3 7532 32.593 84.877 -13.624 1.00 0.00 WT7 H ATOM 55470 H2 TIP3 7532 32.470 86.069 -12.699 1.00 0.00 WT7 H ATOM 55471 OH2 TIP3 7537 50.199 37.286 -7.181 1.00 0.00 WT7 O ATOM 55472 H1 TIP3 7537 50.178 36.421 -6.772 1.00 0.00 WT7 H ATOM 55473 H2 TIP3 7537 49.482 37.766 -6.765 1.00 0.00 WT7 H ATOM 55474 OH2 TIP3 7563 49.848 88.865 -15.273 1.00 0.00 WT7 O ATOM 55475 H1 TIP3 7563 49.147 89.477 -15.049 1.00 0.00 WT7 H ATOM 55476 H2 TIP3 7563 50.032 88.402 -14.455 1.00 0.00 WT7 H ATOM 55477 OH2 TIP3 7568 37.117 78.328 55.283 1.00 0.00 WT7 O ATOM 55478 H1 TIP3 7568 37.876 78.015 55.777 1.00 0.00 WT7 H ATOM 55479 H2 TIP3 7568 37.492 78.746 54.508 1.00 0.00 WT7 H ATOM 55480 OH2 TIP3 7576 63.216 53.636 -3.249 1.00 0.00 WT7 O ATOM 55481 H1 TIP3 7576 62.533 54.117 -3.716 1.00 0.00 WT7 H ATOM 55482 H2 TIP3 7576 62.779 52.848 -2.927 1.00 0.00 WT7 H ATOM 55483 OH2 TIP3 7583 54.785 38.122 38.117 1.00 0.00 WT7 O ATOM 55484 H1 TIP3 7583 54.404 37.469 37.529 1.00 0.00 WT7 H ATOM 55485 H2 TIP3 7583 54.669 38.954 37.658 1.00 0.00 WT7 H ATOM 55486 OH2 TIP3 7592 29.836 79.357 42.069 1.00 0.00 WT7 O ATOM 55487 H1 TIP3 7592 30.189 78.477 42.198 1.00 0.00 WT7 H ATOM 55488 H2 TIP3 7592 30.109 79.597 41.183 1.00 0.00 WT7 H ATOM 55489 OH2 TIP3 7607 61.820 49.737 -17.545 1.00 0.00 WT7 O ATOM 55490 H1 TIP3 7607 62.191 50.614 -17.643 1.00 0.00 WT7 H ATOM 55491 H2 TIP3 7607 62.574 49.176 -17.363 1.00 0.00 WT7 H ATOM 55492 OH2 TIP3 7630 77.142 45.539 43.868 1.00 0.00 WT7 O ATOM 55493 H1 TIP3 7630 77.030 46.018 44.689 1.00 0.00 WT7 H ATOM 55494 H2 TIP3 7630 76.581 45.999 43.244 1.00 0.00 WT7 H ATOM 55495 OH2 TIP3 7631 58.723 44.377 -9.501 1.00 0.00 WT7 O ATOM 55496 H1 TIP3 7631 59.515 44.909 -9.427 1.00 0.00 WT7 H ATOM 55497 H2 TIP3 7631 58.923 43.580 -9.009 1.00 0.00 WT7 H ATOM 55498 OH2 TIP3 7634 41.850 10.863 50.407 1.00 0.00 WT7 O ATOM 55499 H1 TIP3 7634 41.426 11.022 51.250 1.00 0.00 WT7 H ATOM 55500 H2 TIP3 7634 42.755 11.145 50.536 1.00 0.00 WT7 H ATOM 55501 OH2 TIP3 7642 77.124 84.972 52.411 1.00 0.00 WT7 O ATOM 55502 H1 TIP3 7642 76.865 85.751 51.918 1.00 0.00 WT7 H ATOM 55503 H2 TIP3 7642 77.411 84.350 51.742 1.00 0.00 WT7 H ATOM 55504 OH2 TIP3 7647 50.166 96.930 -1.612 1.00 0.00 WT7 O ATOM 55505 H1 TIP3 7647 50.268 96.194 -2.215 1.00 0.00 WT7 H ATOM 55506 H2 TIP3 7647 50.484 96.599 -0.772 1.00 0.00 WT7 H ATOM 55507 OH2 TIP3 7650 26.794 18.056 52.055 1.00 0.00 WT7 O ATOM 55508 H1 TIP3 7650 27.448 18.282 52.717 1.00 0.00 WT7 H ATOM 55509 H2 TIP3 7650 25.954 18.252 52.471 1.00 0.00 WT7 H ATOM 55510 OH2 TIP3 7661 63.887 77.702 -13.467 1.00 0.00 WT7 O ATOM 55511 H1 TIP3 7661 64.297 77.529 -12.619 1.00 0.00 WT7 H ATOM 55512 H2 TIP3 7661 63.696 76.834 -13.822 1.00 0.00 WT7 H ATOM 55513 OH2 TIP3 7707 51.734 40.386 -13.496 1.00 0.00 WT7 O ATOM 55514 H1 TIP3 7707 51.627 39.572 -13.005 1.00 0.00 WT7 H ATOM 55515 H2 TIP3 7707 50.955 40.899 -13.283 1.00 0.00 WT7 H ATOM 55516 OH2 TIP3 7739 37.442 58.172 1.080 1.00 0.00 WT7 O ATOM 55517 H1 TIP3 7739 37.546 57.287 0.731 1.00 0.00 WT7 H ATOM 55518 H2 TIP3 7739 38.009 58.195 1.851 1.00 0.00 WT7 H ATOM 55519 OH2 TIP3 7876 48.030 32.640 5.594 1.00 0.00 WT7 O ATOM 55520 H1 TIP3 7876 47.265 33.159 5.841 1.00 0.00 WT7 H ATOM 55521 H2 TIP3 7876 48.714 32.913 6.206 1.00 0.00 WT7 H ATOM 55522 OH2 TIP3 7951 79.167 69.107 22.199 1.00 0.00 WT7 O ATOM 55523 H1 TIP3 7951 78.774 69.654 21.519 1.00 0.00 WT7 H ATOM 55524 H2 TIP3 7951 78.641 68.307 22.197 1.00 0.00 WT7 H ATOM 55525 OH2 TIP3 7961 36.456 94.993 4.646 1.00 0.00 WT7 O ATOM 55526 H1 TIP3 7961 35.820 95.706 4.713 1.00 0.00 WT7 H ATOM 55527 H2 TIP3 7961 35.978 94.284 4.216 1.00 0.00 WT7 H ATOM 55528 OH2 TIP3 7978 63.324 14.732 38.911 1.00 0.00 WT7 O ATOM 55529 H1 TIP3 7978 63.762 14.889 38.074 1.00 0.00 WT7 H ATOM 55530 H2 TIP3 7978 64.025 14.452 39.500 1.00 0.00 WT7 H ATOM 55531 OH2 TIP3 7985 27.107 13.393 -11.232 1.00 0.00 WT7 O ATOM 55532 H1 TIP3 7985 26.647 12.568 -11.389 1.00 0.00 WT7 H ATOM 55533 H2 TIP3 7985 26.739 13.721 -10.412 1.00 0.00 WT7 H ATOM 55534 OH2 TIP3 7997 44.028 89.952 44.075 1.00 0.00 WT7 O ATOM 55535 H1 TIP3 7997 43.763 89.064 44.316 1.00 0.00 WT7 H ATOM 55536 H2 TIP3 7997 43.280 90.499 44.312 1.00 0.00 WT7 H ATOM 55537 OH2 TIP3 7998 33.042 2.361 -10.544 1.00 0.00 WT7 O ATOM 55538 H1 TIP3 7998 32.320 1.817 -10.229 1.00 0.00 WT7 H ATOM 55539 H2 TIP3 7998 33.396 2.770 -9.754 1.00 0.00 WT7 H ATOM 55540 OH2 TIP3 8009 51.131 28.381 29.070 1.00 0.00 WT7 O ATOM 55541 H1 TIP3 8009 50.209 28.193 29.245 1.00 0.00 WT7 H ATOM 55542 H2 TIP3 8009 51.160 28.597 28.138 1.00 0.00 WT7 H ATOM 55543 OH2 TIP3 8014 72.369 91.103 24.606 1.00 0.00 WT7 O ATOM 55544 H1 TIP3 8014 72.397 91.568 23.770 1.00 0.00 WT7 H ATOM 55545 H2 TIP3 8014 72.409 90.177 24.366 1.00 0.00 WT7 H ATOM 55546 OH2 TIP3 8023 22.060 80.379 8.767 1.00 0.00 WT7 O ATOM 55547 H1 TIP3 8023 22.794 79.992 8.289 1.00 0.00 WT7 H ATOM 55548 H2 TIP3 8023 22.308 80.306 9.689 1.00 0.00 WT7 H ATOM 55549 OH2 TIP3 8024 64.827 7.571 38.580 1.00 0.00 WT7 O ATOM 55550 H1 TIP3 8024 63.989 7.263 38.235 1.00 0.00 WT7 H ATOM 55551 H2 TIP3 8024 64.684 7.650 39.523 1.00 0.00 WT7 H ATOM 55552 OH2 TIP3 8031 68.527 59.844 -5.103 1.00 0.00 WT7 O ATOM 55553 H1 TIP3 8031 68.360 59.108 -4.514 1.00 0.00 WT7 H ATOM 55554 H2 TIP3 8031 68.238 60.614 -4.612 1.00 0.00 WT7 H ATOM 55555 OH2 TIP3 8034 53.405 63.530 47.304 1.00 0.00 WT7 O ATOM 55556 H1 TIP3 8034 53.211 63.242 46.412 1.00 0.00 WT7 H ATOM 55557 H2 TIP3 8034 54.238 63.109 47.516 1.00 0.00 WT7 H ATOM 55558 OH2 TIP3 8046 55.629 87.369 30.933 1.00 0.00 WT7 O ATOM 55559 H1 TIP3 8046 55.039 86.633 31.094 1.00 0.00 WT7 H ATOM 55560 H2 TIP3 8046 55.113 87.979 30.406 1.00 0.00 WT7 H ATOM 55561 OH2 TIP3 8064 46.129 79.717 -19.052 1.00 0.00 WT7 O ATOM 55562 H1 TIP3 8064 45.944 80.651 -19.148 1.00 0.00 WT7 H ATOM 55563 H2 TIP3 8064 46.444 79.445 -19.914 1.00 0.00 WT7 H ATOM 55564 OH2 TIP3 8067 67.293 81.539 45.565 1.00 0.00 WT7 O ATOM 55565 H1 TIP3 8067 66.543 82.133 45.537 1.00 0.00 WT7 H ATOM 55566 H2 TIP3 8067 66.986 80.788 46.073 1.00 0.00 WT7 H ATOM 55567 OH2 TIP3 8068 80.265 83.915 8.080 1.00 0.00 WT7 O ATOM 55568 H1 TIP3 8068 80.687 83.243 8.615 1.00 0.00 WT7 H ATOM 55569 H2 TIP3 8068 80.477 83.672 7.179 1.00 0.00 WT7 H ATOM 55570 OH2 TIP3 8079 89.135 52.964 14.207 1.00 0.00 WT7 O ATOM 55571 H1 TIP3 8079 89.728 53.499 13.681 1.00 0.00 WT7 H ATOM 55572 H2 TIP3 8079 89.022 53.457 15.019 1.00 0.00 WT7 H ATOM 55573 OH2 TIP3 8123 38.256 66.188 1.493 1.00 0.00 WT7 O ATOM 55574 H1 TIP3 8123 37.310 66.328 1.543 1.00 0.00 WT7 H ATOM 55575 H2 TIP3 8123 38.625 66.826 2.103 1.00 0.00 WT7 H ATOM 55576 OH2 TIP3 8133 24.206 63.371 -6.341 1.00 0.00 WT7 O ATOM 55577 H1 TIP3 8133 24.197 63.154 -5.409 1.00 0.00 WT7 H ATOM 55578 H2 TIP3 8133 23.285 63.506 -6.565 1.00 0.00 WT7 H ATOM 55579 OH2 TIP3 8161 71.256 10.440 39.506 1.00 0.00 WT7 O ATOM 55580 H1 TIP3 8161 72.091 10.675 39.910 1.00 0.00 WT7 H ATOM 55581 H2 TIP3 8161 71.348 10.707 38.592 1.00 0.00 WT7 H ATOM 55582 OH2 TIP3 8174 34.797 58.768 31.094 1.00 0.00 WT7 O ATOM 55583 H1 TIP3 8174 35.470 58.126 31.320 1.00 0.00 WT7 H ATOM 55584 H2 TIP3 8174 34.569 59.179 31.928 1.00 0.00 WT7 H ATOM 55585 OH2 TIP3 8183 38.342 3.803 0.190 1.00 0.00 WT7 O ATOM 55586 H1 TIP3 8183 37.894 4.008 -0.631 1.00 0.00 WT7 H ATOM 55587 H2 TIP3 8183 38.018 2.935 0.429 1.00 0.00 WT7 H ATOM 55588 OH2 TIP3 8270 88.822 4.329 53.054 1.00 0.00 WT7 O ATOM 55589 H1 TIP3 8270 89.739 4.591 52.966 1.00 0.00 WT7 H ATOM 55590 H2 TIP3 8270 88.681 4.263 53.999 1.00 0.00 WT7 H ATOM 55591 OH2 TIP3 8290 35.225 21.921 47.943 1.00 0.00 WT7 O ATOM 55592 H1 TIP3 8290 34.407 21.804 48.426 1.00 0.00 WT7 H ATOM 55593 H2 TIP3 8290 35.887 22.059 48.621 1.00 0.00 WT7 H ATOM 55594 OH2 TIP3 8309 83.828 56.889 27.600 1.00 0.00 WT7 O ATOM 55595 H1 TIP3 8309 83.520 57.426 26.870 1.00 0.00 WT7 H ATOM 55596 H2 TIP3 8309 84.776 56.834 27.474 1.00 0.00 WT7 H ATOM 55597 OH2 TIP3 8375 26.490 72.891 15.529 1.00 0.00 WT7 O ATOM 55598 H1 TIP3 8375 25.854 72.230 15.804 1.00 0.00 WT7 H ATOM 55599 H2 TIP3 8375 26.097 73.724 15.790 1.00 0.00 WT7 H ATOM 55600 OH2 TIP3 8376 34.688 3.737 11.372 1.00 0.00 WT7 O ATOM 55601 H1 TIP3 8376 33.750 3.759 11.185 1.00 0.00 WT7 H ATOM 55602 H2 TIP3 8376 34.745 3.447 12.283 1.00 0.00 WT7 H ATOM 55603 OH2 TIP3 8393 21.264 74.077 33.837 1.00 0.00 WT7 O ATOM 55604 H1 TIP3 8393 21.416 74.995 33.612 1.00 0.00 WT7 H ATOM 55605 H2 TIP3 8393 20.360 73.911 33.569 1.00 0.00 WT7 H ATOM 55606 OH2 TIP3 8395 39.371 93.374 -1.930 1.00 0.00 WT7 O ATOM 55607 H1 TIP3 8395 38.629 93.601 -1.370 1.00 0.00 WT7 H ATOM 55608 H2 TIP3 8395 39.932 94.149 -1.910 1.00 0.00 WT7 H ATOM 55609 OH2 TIP3 8403 21.639 51.762 66.577 1.00 0.00 WT7 O ATOM 55610 H1 TIP3 8403 22.031 52.628 66.689 1.00 0.00 WT7 H ATOM 55611 H2 TIP3 8403 22.294 51.156 66.923 1.00 0.00 WT7 H ATOM 55612 OH2 TIP3 8408 22.933 86.289 48.735 1.00 0.00 WT7 O ATOM 55613 H1 TIP3 8408 23.370 87.135 48.640 1.00 0.00 WT7 H ATOM 55614 H2 TIP3 8408 23.632 85.644 48.630 1.00 0.00 WT7 H ATOM 55615 OH2 TIP3 8411 60.567 81.884 0.472 1.00 0.00 WT7 O ATOM 55616 H1 TIP3 8411 59.734 81.413 0.457 1.00 0.00 WT7 H ATOM 55617 H2 TIP3 8411 60.405 82.642 1.034 1.00 0.00 WT7 H ATOM 55618 OH2 TIP3 8414 81.100 87.355 46.313 1.00 0.00 WT7 O ATOM 55619 H1 TIP3 8414 81.352 88.260 46.130 1.00 0.00 WT7 H ATOM 55620 H2 TIP3 8414 80.152 87.338 46.183 1.00 0.00 WT7 H ATOM 55621 OH2 TIP3 8419 65.139 57.183 -8.285 1.00 0.00 WT7 O ATOM 55622 H1 TIP3 8419 64.824 57.023 -7.396 1.00 0.00 WT7 H ATOM 55623 H2 TIP3 8419 64.382 57.005 -8.844 1.00 0.00 WT7 H ATOM 55624 OH2 TIP3 8425 37.476 56.861 27.688 1.00 0.00 WT7 O ATOM 55625 H1 TIP3 8425 37.349 57.803 27.805 1.00 0.00 WT7 H ATOM 55626 H2 TIP3 8425 38.424 56.739 27.749 1.00 0.00 WT7 H ATOM 55627 OH2 TIP3 8440 53.313 54.635 -12.377 1.00 0.00 WT7 O ATOM 55628 H1 TIP3 8440 54.152 54.213 -12.189 1.00 0.00 WT7 H ATOM 55629 H2 TIP3 8440 53.429 55.024 -13.244 1.00 0.00 WT7 H ATOM 55630 OH2 TIP3 8448 46.207 91.137 23.508 1.00 0.00 WT7 O ATOM 55631 H1 TIP3 8448 45.908 90.941 24.396 1.00 0.00 WT7 H ATOM 55632 H2 TIP3 8448 45.426 91.039 22.965 1.00 0.00 WT7 H ATOM 55633 OH2 TIP3 8452 73.444 96.168 -14.800 1.00 0.00 WT7 O ATOM 55634 H1 TIP3 8452 72.627 95.691 -14.651 1.00 0.00 WT7 H ATOM 55635 H2 TIP3 8452 73.747 95.865 -15.656 1.00 0.00 WT7 H ATOM 55636 OH2 TIP3 8459 33.588 18.900 47.738 1.00 0.00 WT7 O ATOM 55637 H1 TIP3 8459 33.022 19.624 47.471 1.00 0.00 WT7 H ATOM 55638 H2 TIP3 8459 33.460 18.233 47.063 1.00 0.00 WT7 H ATOM 55639 OH2 TIP3 8466 90.249 93.704 34.415 1.00 0.00 WT7 O ATOM 55640 H1 TIP3 8466 90.456 92.776 34.311 1.00 0.00 WT7 H ATOM 55641 H2 TIP3 8466 90.909 94.030 35.027 1.00 0.00 WT7 H ATOM 55642 OH2 TIP3 8468 71.475 60.497 -17.893 1.00 0.00 WT7 O ATOM 55643 H1 TIP3 8468 72.012 59.997 -18.508 1.00 0.00 WT7 H ATOM 55644 H2 TIP3 8468 70.573 60.294 -18.142 1.00 0.00 WT7 H ATOM 55645 OH2 TIP3 8492 83.295 90.676 25.943 1.00 0.00 WT7 O ATOM 55646 H1 TIP3 8492 83.268 91.631 25.875 1.00 0.00 WT7 H ATOM 55647 H2 TIP3 8492 82.447 90.438 26.317 1.00 0.00 WT7 H ATOM 55648 OH2 TIP3 8500 77.905 84.838 63.077 1.00 0.00 WT7 O ATOM 55649 H1 TIP3 8500 78.463 84.117 62.788 1.00 0.00 WT7 H ATOM 55650 H2 TIP3 8500 78.038 84.881 64.024 1.00 0.00 WT7 H ATOM 55651 OH2 TIP3 8518 87.865 51.954 64.261 1.00 0.00 WT7 O ATOM 55652 H1 TIP3 8518 88.259 52.650 64.787 1.00 0.00 WT7 H ATOM 55653 H2 TIP3 8518 88.176 52.121 63.371 1.00 0.00 WT7 H ATOM 55654 OH2 TIP3 8520 83.132 54.816 24.782 1.00 0.00 WT7 O ATOM 55655 H1 TIP3 8520 82.465 54.448 25.361 1.00 0.00 WT7 H ATOM 55656 H2 TIP3 8520 83.110 55.757 24.958 1.00 0.00 WT7 H ATOM 55657 OH2 TIP3 8534 80.764 87.873 9.234 1.00 0.00 WT7 O ATOM 55658 H1 TIP3 8534 79.839 88.016 9.031 1.00 0.00 WT7 H ATOM 55659 H2 TIP3 8534 80.830 86.932 9.398 1.00 0.00 WT7 H ATOM 55660 OH2 TIP3 8536 75.758 79.499 24.071 1.00 0.00 WT7 O ATOM 55661 H1 TIP3 8536 75.471 78.697 24.508 1.00 0.00 WT7 H ATOM 55662 H2 TIP3 8536 76.596 79.711 24.483 1.00 0.00 WT7 H ATOM 55663 OH2 TIP3 8537 88.569 87.283 60.580 1.00 0.00 WT7 O ATOM 55664 H1 TIP3 8537 88.457 87.421 59.640 1.00 0.00 WT7 H ATOM 55665 H2 TIP3 8537 88.535 86.333 60.689 1.00 0.00 WT7 H ATOM 55666 OH2 TIP3 8549 64.292 90.291 -4.703 1.00 0.00 WT7 O ATOM 55667 H1 TIP3 8549 63.760 90.865 -5.253 1.00 0.00 WT7 H ATOM 55668 H2 TIP3 8549 63.656 89.778 -4.205 1.00 0.00 WT7 H ATOM 55669 OH2 TIP3 8556 61.769 14.560 19.431 1.00 0.00 WT7 O ATOM 55670 H1 TIP3 8556 62.314 13.796 19.617 1.00 0.00 WT7 H ATOM 55671 H2 TIP3 8556 62.252 15.296 19.805 1.00 0.00 WT7 H ATOM 55672 OH2 TIP3 8558 42.775 29.675 57.584 1.00 0.00 WT7 O ATOM 55673 H1 TIP3 8558 42.044 29.397 58.136 1.00 0.00 WT7 H ATOM 55674 H2 TIP3 8558 42.623 30.608 57.435 1.00 0.00 WT7 H ATOM 55675 OH2 TIP3 8560 58.511 5.894 64.269 1.00 0.00 WT7 O ATOM 55676 H1 TIP3 8560 58.269 5.946 65.194 1.00 0.00 WT7 H ATOM 55677 H2 TIP3 8560 58.911 5.030 64.173 1.00 0.00 WT7 H ATOM 55678 OH2 TIP3 8566 72.648 54.271 -10.413 1.00 0.00 WT7 O ATOM 55679 H1 TIP3 8566 72.696 54.847 -11.176 1.00 0.00 WT7 H ATOM 55680 H2 TIP3 8566 72.033 53.584 -10.668 1.00 0.00 WT7 H ATOM 55681 OH2 TIP3 8567 89.819 21.876 -2.374 1.00 0.00 WT7 O ATOM 55682 H1 TIP3 8567 89.097 22.391 -2.014 1.00 0.00 WT7 H ATOM 55683 H2 TIP3 8567 90.557 22.485 -2.403 1.00 0.00 WT7 H ATOM 55684 OH2 TIP3 8574 35.173 31.194 52.437 1.00 0.00 WT7 O ATOM 55685 H1 TIP3 8574 34.525 30.504 52.579 1.00 0.00 WT7 H ATOM 55686 H2 TIP3 8574 36.007 30.729 52.367 1.00 0.00 WT7 H ATOM 55687 OH2 TIP3 8585 83.310 6.243 54.463 1.00 0.00 WT7 O ATOM 55688 H1 TIP3 8585 82.668 5.705 54.925 1.00 0.00 WT7 H ATOM 55689 H2 TIP3 8585 82.967 6.315 53.573 1.00 0.00 WT7 H ATOM 55690 OH2 TIP3 8600 66.608 8.059 63.560 1.00 0.00 WT7 O ATOM 55691 H1 TIP3 8600 66.381 7.130 63.515 1.00 0.00 WT7 H ATOM 55692 H2 TIP3 8600 66.134 8.386 64.324 1.00 0.00 WT7 H ATOM 55693 OH2 TIP3 8626 65.517 3.537 31.151 1.00 0.00 WT7 O ATOM 55694 H1 TIP3 8626 65.833 2.638 31.064 1.00 0.00 WT7 H ATOM 55695 H2 TIP3 8626 66.031 3.904 31.869 1.00 0.00 WT7 H ATOM 55696 OH2 TIP3 8645 21.271 70.365 35.393 1.00 0.00 WT7 O ATOM 55697 H1 TIP3 8645 22.190 70.557 35.203 1.00 0.00 WT7 H ATOM 55698 H2 TIP3 8645 20.838 70.398 34.541 1.00 0.00 WT7 H ATOM 55699 OH2 TIP3 8813 30.826 31.463 60.773 1.00 0.00 WT7 O ATOM 55700 H1 TIP3 8813 31.468 30.923 61.233 1.00 0.00 WT7 H ATOM 55701 H2 TIP3 8813 30.857 31.155 59.867 1.00 0.00 WT7 H ATOM 55702 OH2 TIP3 8822 51.452 80.309 57.433 1.00 0.00 WT7 O ATOM 55703 H1 TIP3 8822 51.514 80.996 58.097 1.00 0.00 WT7 H ATOM 55704 H2 TIP3 8822 52.029 79.615 57.751 1.00 0.00 WT7 H ATOM 55705 OH2 TIP3 8824 85.916 85.840 57.784 1.00 0.00 WT7 O ATOM 55706 H1 TIP3 8824 85.985 85.491 56.895 1.00 0.00 WT7 H ATOM 55707 H2 TIP3 8824 86.760 85.635 58.187 1.00 0.00 WT7 H ATOM 55708 OH2 TIP3 8829 20.418 5.392 47.202 1.00 0.00 WT7 O ATOM 55709 H1 TIP3 8829 20.355 5.987 47.950 1.00 0.00 WT7 H ATOM 55710 H2 TIP3 8829 21.111 4.778 47.441 1.00 0.00 WT7 H ATOM 55711 OH2 TIP3 8833 33.646 44.261 54.165 1.00 0.00 WT7 O ATOM 55712 H1 TIP3 8833 34.274 43.764 53.641 1.00 0.00 WT7 H ATOM 55713 H2 TIP3 8833 33.824 45.177 53.950 1.00 0.00 WT7 H ATOM 55714 OH2 TIP3 8838 65.717 8.090 44.759 1.00 0.00 WT7 O ATOM 55715 H1 TIP3 8838 65.144 7.656 45.392 1.00 0.00 WT7 H ATOM 55716 H2 TIP3 8838 66.563 7.653 44.863 1.00 0.00 WT7 H ATOM 55717 OH2 TIP3 8845 46.646 66.410 0.841 1.00 0.00 WT7 O ATOM 55718 H1 TIP3 8845 47.340 66.229 1.474 1.00 0.00 WT7 H ATOM 55719 H2 TIP3 8845 46.305 65.547 0.607 1.00 0.00 WT7 H ATOM 55720 OH2 TIP3 8855 35.483 15.924 55.731 1.00 0.00 WT7 O ATOM 55721 H1 TIP3 8855 36.057 16.690 55.722 1.00 0.00 WT7 H ATOM 55722 H2 TIP3 8855 35.585 15.537 54.861 1.00 0.00 WT7 H ATOM 55723 OH2 TIP3 8864 83.374 58.110 38.986 1.00 0.00 WT7 O ATOM 55724 H1 TIP3 8864 83.443 58.790 39.657 1.00 0.00 WT7 H ATOM 55725 H2 TIP3 8864 82.457 58.136 38.712 1.00 0.00 WT7 H ATOM 55726 OH2 TIP3 8870 61.724 5.203 17.050 1.00 0.00 WT7 O ATOM 55727 H1 TIP3 8870 62.518 4.930 17.509 1.00 0.00 WT7 H ATOM 55728 H2 TIP3 8870 61.849 4.898 16.151 1.00 0.00 WT7 H ATOM 55729 OH2 TIP3 8879 42.669 24.236 53.483 1.00 0.00 WT7 O ATOM 55730 H1 TIP3 8879 42.975 23.461 53.012 1.00 0.00 WT7 H ATOM 55731 H2 TIP3 8879 43.334 24.387 54.155 1.00 0.00 WT7 H ATOM 55732 OH2 TIP3 8892 27.018 0.939 66.331 1.00 0.00 WT7 O ATOM 55733 H1 TIP3 8892 27.006 1.896 66.339 1.00 0.00 WT7 H ATOM 55734 H2 TIP3 8892 27.352 0.696 67.195 1.00 0.00 WT7 H ATOM 55735 OH2 TIP3 8893 83.139 44.604 55.942 1.00 0.00 WT7 O ATOM 55736 H1 TIP3 8893 82.411 45.225 55.945 1.00 0.00 WT7 H ATOM 55737 H2 TIP3 8893 83.840 45.054 56.413 1.00 0.00 WT7 H ATOM 55738 OH2 TIP3 8894 52.582 11.212 13.027 1.00 0.00 WT7 O ATOM 55739 H1 TIP3 8894 52.800 11.129 12.098 1.00 0.00 WT7 H ATOM 55740 H2 TIP3 8894 53.369 11.583 13.426 1.00 0.00 WT7 H ATOM 55741 OH2 TIP3 8904 61.966 93.308 7.991 1.00 0.00 WT7 O ATOM 55742 H1 TIP3 8904 61.252 92.790 8.364 1.00 0.00 WT7 H ATOM 55743 H2 TIP3 8904 62.736 92.745 8.067 1.00 0.00 WT7 H ATOM 55744 OH2 TIP3 8920 73.524 44.854 36.427 1.00 0.00 WT7 O ATOM 55745 H1 TIP3 8920 72.641 44.625 36.138 1.00 0.00 WT7 H ATOM 55746 H2 TIP3 8920 73.480 44.821 37.383 1.00 0.00 WT7 H ATOM 55747 OH2 TIP3 8927 51.837 28.523 -16.807 1.00 0.00 WT7 O ATOM 55748 H1 TIP3 8927 51.318 28.379 -16.015 1.00 0.00 WT7 H ATOM 55749 H2 TIP3 8927 51.547 29.375 -17.132 1.00 0.00 WT7 H ATOM 55750 OH2 TIP3 8935 71.473 17.724 9.668 1.00 0.00 WT7 O ATOM 55751 H1 TIP3 8935 71.113 18.211 8.926 1.00 0.00 WT7 H ATOM 55752 H2 TIP3 8935 71.086 18.140 10.438 1.00 0.00 WT7 H ATOM 55753 OH2 TIP3 8937 53.192 72.344 30.181 1.00 0.00 WT7 O ATOM 55754 H1 TIP3 8937 52.510 71.822 29.758 1.00 0.00 WT7 H ATOM 55755 H2 TIP3 8937 53.509 71.792 30.895 1.00 0.00 WT7 H ATOM 55756 OH2 TIP3 8938 41.866 73.509 3.236 1.00 0.00 WT7 O ATOM 55757 H1 TIP3 8938 41.342 73.823 3.973 1.00 0.00 WT7 H ATOM 55758 H2 TIP3 8938 41.937 72.565 3.376 1.00 0.00 WT7 H ATOM 55759 OH2 TIP3 8939 26.491 11.883 -4.000 1.00 0.00 WT7 O ATOM 55760 H1 TIP3 8939 26.936 12.281 -3.252 1.00 0.00 WT7 H ATOM 55761 H2 TIP3 8939 26.568 12.533 -4.698 1.00 0.00 WT7 H ATOM 55762 OH2 TIP3 8942 89.620 94.303 18.866 1.00 0.00 WT7 O ATOM 55763 H1 TIP3 8942 90.399 93.897 18.487 1.00 0.00 WT7 H ATOM 55764 H2 TIP3 8942 89.387 94.997 18.250 1.00 0.00 WT7 H ATOM 55765 OH2 TIP3 8956 49.825 26.485 -16.366 1.00 0.00 WT7 O ATOM 55766 H1 TIP3 8956 50.711 26.327 -16.039 1.00 0.00 WT7 H ATOM 55767 H2 TIP3 8956 49.266 25.929 -15.822 1.00 0.00 WT7 H ATOM 55768 OH2 TIP3 8960 86.610 77.744 22.069 1.00 0.00 WT7 O ATOM 55769 H1 TIP3 8960 85.883 77.907 21.468 1.00 0.00 WT7 H ATOM 55770 H2 TIP3 8960 86.222 77.241 22.785 1.00 0.00 WT7 H ATOM 55771 OH2 TIP3 8972 81.450 43.455 65.659 1.00 0.00 WT7 O ATOM 55772 H1 TIP3 8972 81.343 42.519 65.492 1.00 0.00 WT7 H ATOM 55773 H2 TIP3 8972 80.729 43.867 65.183 1.00 0.00 WT7 H ATOM 55774 OH2 TIP3 8973 26.609 61.078 -18.777 1.00 0.00 WT7 O ATOM 55775 H1 TIP3 8973 27.534 60.927 -18.583 1.00 0.00 WT7 H ATOM 55776 H2 TIP3 8973 26.202 60.216 -18.690 1.00 0.00 WT7 H ATOM 55777 OH2 TIP3 8977 21.086 37.380 -7.155 1.00 0.00 WT7 O ATOM 55778 H1 TIP3 8977 21.027 37.696 -6.254 1.00 0.00 WT7 H ATOM 55779 H2 TIP3 8977 21.901 37.753 -7.488 1.00 0.00 WT7 H ATOM 55780 OH2 TIP3 8982 81.357 91.950 -11.919 1.00 0.00 WT7 O ATOM 55781 H1 TIP3 8982 81.308 91.885 -12.873 1.00 0.00 WT7 H ATOM 55782 H2 TIP3 8982 82.294 91.917 -11.725 1.00 0.00 WT7 H ATOM 55783 OH2 TIP3 8984 39.189 73.547 19.610 1.00 0.00 WT7 O ATOM 55784 H1 TIP3 8984 39.180 73.330 20.542 1.00 0.00 WT7 H ATOM 55785 H2 TIP3 8984 40.009 73.176 19.284 1.00 0.00 WT7 H ATOM 55786 OH2 TIP3 8988 67.685 90.368 51.517 1.00 0.00 WT7 O ATOM 55787 H1 TIP3 8988 67.654 91.281 51.802 1.00 0.00 WT7 H ATOM 55788 H2 TIP3 8988 68.422 90.332 50.907 1.00 0.00 WT7 H ATOM 55789 OH2 TIP3 9017 70.393 20.284 8.034 1.00 0.00 WT7 O ATOM 55790 H1 TIP3 9017 69.622 19.747 8.212 1.00 0.00 WT7 H ATOM 55791 H2 TIP3 9017 70.065 21.006 7.499 1.00 0.00 WT7 H ATOM 55792 OH2 TIP3 9022 73.008 21.287 5.061 1.00 0.00 WT7 O ATOM 55793 H1 TIP3 9022 72.819 20.357 5.184 1.00 0.00 WT7 H ATOM 55794 H2 TIP3 9022 72.814 21.451 4.138 1.00 0.00 WT7 H ATOM 55795 OH2 TIP3 9047 77.152 84.000 -10.704 1.00 0.00 WT7 O ATOM 55796 H1 TIP3 9047 76.650 84.659 -11.183 1.00 0.00 WT7 H ATOM 55797 H2 TIP3 9047 77.472 84.460 -9.928 1.00 0.00 WT7 H ATOM 55798 OH2 TIP3 9055 24.961 62.982 -17.402 1.00 0.00 WT7 O ATOM 55799 H1 TIP3 9055 24.155 62.467 -17.364 1.00 0.00 WT7 H ATOM 55800 H2 TIP3 9055 25.466 62.585 -18.112 1.00 0.00 WT7 H ATOM 55801 OH2 TIP3 9063 51.837 61.470 56.162 1.00 0.00 WT7 O ATOM 55802 H1 TIP3 9063 51.280 60.844 55.699 1.00 0.00 WT7 H ATOM 55803 H2 TIP3 9063 51.401 62.313 56.043 1.00 0.00 WT7 H ATOM 55804 OH2 TIP3 9068 20.274 39.132 -15.968 1.00 0.00 WT7 O ATOM 55805 H1 TIP3 9068 20.878 39.036 -15.231 1.00 0.00 WT7 H ATOM 55806 H2 TIP3 9068 20.757 39.656 -16.607 1.00 0.00 WT7 H ATOM 55807 OH2 TIP3 9096 66.214 40.386 -15.724 1.00 0.00 WT7 O ATOM 55808 H1 TIP3 9096 66.191 40.326 -16.679 1.00 0.00 WT7 H ATOM 55809 H2 TIP3 9096 65.981 39.507 -15.423 1.00 0.00 WT7 H ATOM 55810 OH2 TIP3 9178 43.027 78.610 57.263 1.00 0.00 WT7 O ATOM 55811 H1 TIP3 9178 42.367 79.180 56.869 1.00 0.00 WT7 H ATOM 55812 H2 TIP3 9178 42.553 78.124 57.938 1.00 0.00 WT7 H ATOM 55813 OH2 TIP3 9250 27.957 9.034 3.367 1.00 0.00 WT7 O ATOM 55814 H1 TIP3 9250 27.701 9.787 2.836 1.00 0.00 WT7 H ATOM 55815 H2 TIP3 9250 28.103 8.332 2.733 1.00 0.00 WT7 H ATOM 55816 OH2 TIP3 5 72.624 58.013 24.237 1.00 0.00 WT8 O ATOM 55817 H1 TIP3 5 71.822 57.730 23.798 1.00 0.00 WT8 H ATOM 55818 H2 TIP3 5 72.360 58.169 25.144 1.00 0.00 WT8 H ATOM 55819 OH2 TIP3 44 54.259 85.211 66.071 1.00 0.00 WT8 O ATOM 55820 H1 TIP3 44 53.870 85.743 66.764 1.00 0.00 WT8 H ATOM 55821 H2 TIP3 44 54.383 84.350 66.471 1.00 0.00 WT8 H ATOM 55822 OH2 TIP3 48 48.236 91.295 45.005 1.00 0.00 WT8 O ATOM 55823 H1 TIP3 48 47.763 92.009 45.431 1.00 0.00 WT8 H ATOM 55824 H2 TIP3 48 48.228 91.522 44.075 1.00 0.00 WT8 H ATOM 55825 OH2 TIP3 67 72.694 26.564 3.640 1.00 0.00 WT8 O ATOM 55826 H1 TIP3 67 73.549 26.967 3.492 1.00 0.00 WT8 H ATOM 55827 H2 TIP3 67 72.640 26.457 4.590 1.00 0.00 WT8 H ATOM 55828 OH2 TIP3 87 38.701 87.422 51.611 1.00 0.00 WT8 O ATOM 55829 H1 TIP3 87 38.586 87.537 52.554 1.00 0.00 WT8 H ATOM 55830 H2 TIP3 87 37.941 87.856 51.222 1.00 0.00 WT8 H ATOM 55831 OH2 TIP3 113 53.011 20.390 67.458 1.00 0.00 WT8 O ATOM 55832 H1 TIP3 113 53.592 20.465 66.701 1.00 0.00 WT8 H ATOM 55833 H2 TIP3 113 52.457 21.169 67.414 1.00 0.00 WT8 H ATOM 55834 OH2 TIP3 149 64.546 93.536 12.312 1.00 0.00 WT8 O ATOM 55835 H1 TIP3 149 63.758 93.539 12.855 1.00 0.00 WT8 H ATOM 55836 H2 TIP3 149 64.496 92.716 11.821 1.00 0.00 WT8 H ATOM 55837 OH2 TIP3 150 89.357 44.811 55.773 1.00 0.00 WT8 O ATOM 55838 H1 TIP3 150 90.206 44.909 55.342 1.00 0.00 WT8 H ATOM 55839 H2 TIP3 150 89.505 44.146 56.446 1.00 0.00 WT8 H ATOM 55840 OH2 TIP3 167 62.738 61.240 27.691 1.00 0.00 WT8 O ATOM 55841 H1 TIP3 167 62.286 62.040 27.961 1.00 0.00 WT8 H ATOM 55842 H2 TIP3 167 62.334 60.549 28.216 1.00 0.00 WT8 H ATOM 55843 OH2 TIP3 175 70.122 69.053 37.537 1.00 0.00 WT8 O ATOM 55844 H1 TIP3 175 70.680 68.303 37.745 1.00 0.00 WT8 H ATOM 55845 H2 TIP3 175 70.705 69.810 37.599 1.00 0.00 WT8 H ATOM 55846 OH2 TIP3 237 72.616 37.722 4.480 1.00 0.00 WT8 O ATOM 55847 H1 TIP3 237 73.044 37.399 5.273 1.00 0.00 WT8 H ATOM 55848 H2 TIP3 237 73.238 37.530 3.777 1.00 0.00 WT8 H ATOM 55849 OH2 TIP3 449 83.854 83.284 41.335 1.00 0.00 WT8 O ATOM 55850 H1 TIP3 449 83.522 82.807 42.095 1.00 0.00 WT8 H ATOM 55851 H2 TIP3 449 84.752 83.516 41.571 1.00 0.00 WT8 H ATOM 55852 OH2 TIP3 485 28.820 11.306 31.597 1.00 0.00 WT8 O ATOM 55853 H1 TIP3 485 29.300 10.480 31.655 1.00 0.00 WT8 H ATOM 55854 H2 TIP3 485 28.068 11.187 32.177 1.00 0.00 WT8 H ATOM 55855 OH2 TIP3 486 34.435 81.136 58.975 1.00 0.00 WT8 O ATOM 55856 H1 TIP3 486 33.622 81.621 58.836 1.00 0.00 WT8 H ATOM 55857 H2 TIP3 486 35.011 81.425 58.268 1.00 0.00 WT8 H ATOM 55858 OH2 TIP3 489 32.155 64.663 11.520 1.00 0.00 WT8 O ATOM 55859 H1 TIP3 489 33.100 64.816 11.524 1.00 0.00 WT8 H ATOM 55860 H2 TIP3 489 31.976 64.246 12.363 1.00 0.00 WT8 H ATOM 55861 OH2 TIP3 503 41.784 25.912 3.112 1.00 0.00 WT8 O ATOM 55862 H1 TIP3 503 42.521 25.388 2.798 1.00 0.00 WT8 H ATOM 55863 H2 TIP3 503 42.177 26.745 3.374 1.00 0.00 WT8 H ATOM 55864 OH2 TIP3 506 24.332 68.687 5.869 1.00 0.00 WT8 O ATOM 55865 H1 TIP3 506 24.922 69.440 5.884 1.00 0.00 WT8 H ATOM 55866 H2 TIP3 506 23.903 68.701 6.725 1.00 0.00 WT8 H ATOM 55867 OH2 TIP3 509 64.427 41.372 -18.330 1.00 0.00 WT8 O ATOM 55868 H1 TIP3 509 64.998 41.137 -19.061 1.00 0.00 WT8 H ATOM 55869 H2 TIP3 509 64.393 42.329 -18.349 1.00 0.00 WT8 H ATOM 55870 OH2 TIP3 511 38.271 70.802 -3.938 1.00 0.00 WT8 O ATOM 55871 H1 TIP3 511 37.841 70.713 -3.088 1.00 0.00 WT8 H ATOM 55872 H2 TIP3 511 39.142 70.427 -3.807 1.00 0.00 WT8 H ATOM 55873 OH2 TIP3 548 62.115 51.872 41.316 1.00 0.00 WT8 O ATOM 55874 H1 TIP3 548 61.804 52.357 40.552 1.00 0.00 WT8 H ATOM 55875 H2 TIP3 548 61.977 52.469 42.052 1.00 0.00 WT8 H ATOM 55876 OH2 TIP3 550 90.210 92.674 30.892 1.00 0.00 WT8 O ATOM 55877 H1 TIP3 550 91.033 92.773 31.369 1.00 0.00 WT8 H ATOM 55878 H2 TIP3 550 90.421 92.930 29.994 1.00 0.00 WT8 H ATOM 55879 OH2 TIP3 551 56.298 80.538 65.379 1.00 0.00 WT8 O ATOM 55880 H1 TIP3 551 55.667 80.528 64.660 1.00 0.00 WT8 H ATOM 55881 H2 TIP3 551 57.045 80.037 65.051 1.00 0.00 WT8 H ATOM 55882 OH2 TIP3 562 75.123 67.444 -14.829 1.00 0.00 WT8 O ATOM 55883 H1 TIP3 562 74.408 68.035 -15.065 1.00 0.00 WT8 H ATOM 55884 H2 TIP3 562 74.817 67.004 -14.035 1.00 0.00 WT8 H ATOM 55885 OH2 TIP3 573 42.863 0.637 -10.903 1.00 0.00 WT8 O ATOM 55886 H1 TIP3 573 42.017 1.047 -11.082 1.00 0.00 WT8 H ATOM 55887 H2 TIP3 573 43.505 1.231 -11.293 1.00 0.00 WT8 H ATOM 55888 OH2 TIP3 575 72.475 9.202 52.338 1.00 0.00 WT8 O ATOM 55889 H1 TIP3 575 71.706 9.559 52.781 1.00 0.00 WT8 H ATOM 55890 H2 TIP3 575 72.121 8.567 51.715 1.00 0.00 WT8 H ATOM 55891 OH2 TIP3 584 41.039 94.552 27.216 1.00 0.00 WT8 O ATOM 55892 H1 TIP3 584 41.050 94.896 26.322 1.00 0.00 WT8 H ATOM 55893 H2 TIP3 584 41.482 95.221 27.736 1.00 0.00 WT8 H ATOM 55894 OH2 TIP3 591 68.310 59.731 56.581 1.00 0.00 WT8 O ATOM 55895 H1 TIP3 591 67.377 59.516 56.574 1.00 0.00 WT8 H ATOM 55896 H2 TIP3 591 68.345 60.639 56.880 1.00 0.00 WT8 H ATOM 55897 OH2 TIP3 593 70.799 29.827 34.498 1.00 0.00 WT8 O ATOM 55898 H1 TIP3 593 70.886 30.400 35.260 1.00 0.00 WT8 H ATOM 55899 H2 TIP3 593 71.627 29.926 34.028 1.00 0.00 WT8 H ATOM 55900 OH2 TIP3 594 34.264 21.014 -11.558 1.00 0.00 WT8 O ATOM 55901 H1 TIP3 594 33.910 21.582 -10.873 1.00 0.00 WT8 H ATOM 55902 H2 TIP3 594 34.267 21.560 -12.344 1.00 0.00 WT8 H ATOM 55903 OH2 TIP3 822 75.886 63.170 55.631 1.00 0.00 WT8 O ATOM 55904 H1 TIP3 822 74.936 63.245 55.535 1.00 0.00 WT8 H ATOM 55905 H2 TIP3 822 76.147 63.978 56.071 1.00 0.00 WT8 H ATOM 55906 OH2 TIP3 892 29.832 52.114 35.941 1.00 0.00 WT8 O ATOM 55907 H1 TIP3 892 28.898 52.183 35.745 1.00 0.00 WT8 H ATOM 55908 H2 TIP3 892 29.918 52.463 36.828 1.00 0.00 WT8 H ATOM 55909 OH2 TIP3 908 45.328 53.368 4.569 1.00 0.00 WT8 O ATOM 55910 H1 TIP3 908 46.281 53.296 4.513 1.00 0.00 WT8 H ATOM 55911 H2 TIP3 908 45.177 54.134 5.122 1.00 0.00 WT8 H ATOM 55912 OH2 TIP3 928 70.652 84.592 23.357 1.00 0.00 WT8 O ATOM 55913 H1 TIP3 928 69.856 84.919 23.775 1.00 0.00 WT8 H ATOM 55914 H2 TIP3 928 70.813 83.746 23.776 1.00 0.00 WT8 H ATOM 55915 OH2 TIP3 930 32.271 51.047 49.202 1.00 0.00 WT8 O ATOM 55916 H1 TIP3 930 33.007 51.658 49.231 1.00 0.00 WT8 H ATOM 55917 H2 TIP3 930 32.019 50.931 50.118 1.00 0.00 WT8 H ATOM 55918 OH2 TIP3 987 54.836 75.358 60.929 1.00 0.00 WT8 O ATOM 55919 H1 TIP3 987 54.120 75.344 60.295 1.00 0.00 WT8 H ATOM 55920 H2 TIP3 987 54.403 75.322 61.782 1.00 0.00 WT8 H ATOM 55921 OH2 TIP3 993 69.078 11.938 48.364 1.00 0.00 WT8 O ATOM 55922 H1 TIP3 993 68.256 12.237 47.975 1.00 0.00 WT8 H ATOM 55923 H2 TIP3 993 69.758 12.382 47.857 1.00 0.00 WT8 H ATOM 55924 OH2 TIP3 1013 71.287 13.994 3.784 1.00 0.00 WT8 O ATOM 55925 H1 TIP3 1013 71.283 13.189 3.265 1.00 0.00 WT8 H ATOM 55926 H2 TIP3 1013 70.564 13.884 4.402 1.00 0.00 WT8 H ATOM 55927 OH2 TIP3 1018 49.666 82.438 -10.929 1.00 0.00 WT8 O ATOM 55928 H1 TIP3 1018 49.378 83.350 -10.889 1.00 0.00 WT8 H ATOM 55929 H2 TIP3 1018 48.997 81.998 -11.454 1.00 0.00 WT8 H ATOM 55930 OH2 TIP3 1076 27.483 6.048 57.691 1.00 0.00 WT8 O ATOM 55931 H1 TIP3 1076 28.343 5.788 58.021 1.00 0.00 WT8 H ATOM 55932 H2 TIP3 1076 27.667 6.759 57.077 1.00 0.00 WT8 H ATOM 55933 OH2 TIP3 1098 54.786 10.303 56.414 1.00 0.00 WT8 O ATOM 55934 H1 TIP3 1098 53.897 10.640 56.522 1.00 0.00 WT8 H ATOM 55935 H2 TIP3 1098 54.672 9.359 56.303 1.00 0.00 WT8 H ATOM 55936 OH2 TIP3 1122 57.804 83.795 51.620 1.00 0.00 WT8 O ATOM 55937 H1 TIP3 1122 57.632 83.885 50.683 1.00 0.00 WT8 H ATOM 55938 H2 TIP3 1122 56.990 83.444 51.981 1.00 0.00 WT8 H ATOM 55939 OH2 TIP3 1138 56.736 89.540 27.356 1.00 0.00 WT8 O ATOM 55940 H1 TIP3 1138 56.686 88.626 27.077 1.00 0.00 WT8 H ATOM 55941 H2 TIP3 1138 56.393 90.036 26.613 1.00 0.00 WT8 H ATOM 55942 OH2 TIP3 1301 86.557 72.277 32.594 1.00 0.00 WT8 O ATOM 55943 H1 TIP3 1301 86.805 72.964 31.975 1.00 0.00 WT8 H ATOM 55944 H2 TIP3 1301 86.148 71.602 32.052 1.00 0.00 WT8 H ATOM 55945 OH2 TIP3 1354 65.076 56.350 65.582 1.00 0.00 WT8 O ATOM 55946 H1 TIP3 1354 64.834 56.010 64.720 1.00 0.00 WT8 H ATOM 55947 H2 TIP3 1354 64.989 57.299 65.498 1.00 0.00 WT8 H ATOM 55948 OH2 TIP3 1370 79.397 37.469 52.245 1.00 0.00 WT8 O ATOM 55949 H1 TIP3 1370 78.468 37.258 52.334 1.00 0.00 WT8 H ATOM 55950 H2 TIP3 1370 79.852 36.688 52.562 1.00 0.00 WT8 H ATOM 55951 OH2 TIP3 1387 81.206 74.380 25.817 1.00 0.00 WT8 O ATOM 55952 H1 TIP3 1387 81.906 74.285 26.463 1.00 0.00 WT8 H ATOM 55953 H2 TIP3 1387 80.443 73.975 26.229 1.00 0.00 WT8 H ATOM 55954 OH2 TIP3 1408 65.792 23.546 66.948 1.00 0.00 WT8 O ATOM 55955 H1 TIP3 1408 65.383 23.860 66.141 1.00 0.00 WT8 H ATOM 55956 H2 TIP3 1408 66.363 24.263 67.222 1.00 0.00 WT8 H ATOM 55957 OH2 TIP3 1414 37.770 94.039 64.694 1.00 0.00 WT8 O ATOM 55958 H1 TIP3 1414 38.022 94.825 65.179 1.00 0.00 WT8 H ATOM 55959 H2 TIP3 1414 38.418 93.972 63.992 1.00 0.00 WT8 H ATOM 55960 OH2 TIP3 1429 77.605 56.810 44.032 1.00 0.00 WT8 O ATOM 55961 H1 TIP3 1429 77.616 57.024 43.099 1.00 0.00 WT8 H ATOM 55962 H2 TIP3 1429 77.545 57.658 44.471 1.00 0.00 WT8 H ATOM 55963 OH2 TIP3 1433 89.234 11.481 53.240 1.00 0.00 WT8 O ATOM 55964 H1 TIP3 1433 88.803 11.373 52.392 1.00 0.00 WT8 H ATOM 55965 H2 TIP3 1433 89.323 12.429 53.345 1.00 0.00 WT8 H ATOM 55966 OH2 TIP3 1440 42.521 50.284 58.366 1.00 0.00 WT8 O ATOM 55967 H1 TIP3 1440 41.696 49.805 58.448 1.00 0.00 WT8 H ATOM 55968 H2 TIP3 1440 42.311 51.173 58.653 1.00 0.00 WT8 H ATOM 55969 OH2 TIP3 1451 33.071 23.391 10.994 1.00 0.00 WT8 O ATOM 55970 H1 TIP3 1451 33.845 23.430 11.556 1.00 0.00 WT8 H ATOM 55971 H2 TIP3 1451 32.612 22.599 11.273 1.00 0.00 WT8 H ATOM 55972 OH2 TIP3 1480 73.151 35.057 13.388 1.00 0.00 WT8 O ATOM 55973 H1 TIP3 1480 73.262 34.409 14.084 1.00 0.00 WT8 H ATOM 55974 H2 TIP3 1480 72.223 35.289 13.422 1.00 0.00 WT8 H ATOM 55975 OH2 TIP3 1573 65.088 69.242 37.051 1.00 0.00 WT8 O ATOM 55976 H1 TIP3 1573 65.467 68.917 36.234 1.00 0.00 WT8 H ATOM 55977 H2 TIP3 1573 64.267 68.758 37.144 1.00 0.00 WT8 H ATOM 55978 OH2 TIP3 1618 61.234 0.964 63.763 1.00 0.00 WT8 O ATOM 55979 H1 TIP3 1618 61.427 1.238 62.866 1.00 0.00 WT8 H ATOM 55980 H2 TIP3 1618 60.770 0.132 63.665 1.00 0.00 WT8 H ATOM 55981 OH2 TIP3 1725 53.002 23.404 54.946 1.00 0.00 WT8 O ATOM 55982 H1 TIP3 1725 52.530 22.858 55.575 1.00 0.00 WT8 H ATOM 55983 H2 TIP3 1725 52.487 23.343 54.141 1.00 0.00 WT8 H ATOM 55984 OH2 TIP3 1733 45.845 68.683 -19.862 1.00 0.00 WT8 O ATOM 55985 H1 TIP3 1733 46.405 67.912 -19.950 1.00 0.00 WT8 H ATOM 55986 H2 TIP3 1733 45.971 68.970 -18.958 1.00 0.00 WT8 H ATOM 55987 OH2 TIP3 1771 36.576 51.209 52.609 1.00 0.00 WT8 O ATOM 55988 H1 TIP3 1771 36.378 50.514 53.237 1.00 0.00 WT8 H ATOM 55989 H2 TIP3 1771 35.720 51.485 52.280 1.00 0.00 WT8 H ATOM 55990 OH2 TIP3 1849 27.906 76.870 51.517 1.00 0.00 WT8 O ATOM 55991 H1 TIP3 1849 27.181 77.304 51.067 1.00 0.00 WT8 H ATOM 55992 H2 TIP3 1849 28.667 77.420 51.330 1.00 0.00 WT8 H ATOM 55993 OH2 TIP3 1853 35.551 65.342 63.389 1.00 0.00 WT8 O ATOM 55994 H1 TIP3 1853 35.499 65.691 62.499 1.00 0.00 WT8 H ATOM 55995 H2 TIP3 1853 36.485 65.359 63.599 1.00 0.00 WT8 H ATOM 55996 OH2 TIP3 1897 21.534 58.182 -11.976 1.00 0.00 WT8 O ATOM 55997 H1 TIP3 1897 22.338 57.740 -12.248 1.00 0.00 WT8 H ATOM 55998 H2 TIP3 1897 21.742 58.550 -11.117 1.00 0.00 WT8 H ATOM 55999 OH2 TIP3 2231 45.386 37.424 12.922 1.00 0.00 WT8 O ATOM 56000 H1 TIP3 2231 45.127 36.522 13.109 1.00 0.00 WT8 H ATOM 56001 H2 TIP3 2231 45.283 37.881 13.756 1.00 0.00 WT8 H ATOM 56002 OH2 TIP3 2270 33.293 36.574 50.785 1.00 0.00 WT8 O ATOM 56003 H1 TIP3 2270 33.341 36.798 51.714 1.00 0.00 WT8 H ATOM 56004 H2 TIP3 2270 33.939 37.144 50.367 1.00 0.00 WT8 H ATOM 56005 OH2 TIP3 2288 50.065 75.886 -8.948 1.00 0.00 WT8 O ATOM 56006 H1 TIP3 2288 49.374 76.382 -8.509 1.00 0.00 WT8 H ATOM 56007 H2 TIP3 2288 49.616 75.426 -9.657 1.00 0.00 WT8 H ATOM 56008 OH2 TIP3 2293 42.264 92.217 -18.045 1.00 0.00 WT8 O ATOM 56009 H1 TIP3 2293 42.870 91.629 -18.495 1.00 0.00 WT8 H ATOM 56010 H2 TIP3 2293 41.396 91.867 -18.245 1.00 0.00 WT8 H ATOM 56011 OH2 TIP3 2317 78.046 50.027 -4.278 1.00 0.00 WT8 O ATOM 56012 H1 TIP3 2317 77.205 49.766 -4.652 1.00 0.00 WT8 H ATOM 56013 H2 TIP3 2317 77.872 50.129 -3.342 1.00 0.00 WT8 H ATOM 56014 OH2 TIP3 2357 51.248 69.289 60.359 1.00 0.00 WT8 O ATOM 56015 H1 TIP3 2357 51.346 69.804 61.160 1.00 0.00 WT8 H ATOM 56016 H2 TIP3 2357 52.144 69.162 60.045 1.00 0.00 WT8 H ATOM 56017 OH2 TIP3 2358 68.312 69.503 -18.966 1.00 0.00 WT8 O ATOM 56018 H1 TIP3 2358 67.868 69.728 -19.784 1.00 0.00 WT8 H ATOM 56019 H2 TIP3 2358 69.231 69.718 -19.126 1.00 0.00 WT8 H ATOM 56020 OH2 TIP3 2714 38.125 27.410 51.746 1.00 0.00 WT8 O ATOM 56021 H1 TIP3 2714 38.998 27.114 52.004 1.00 0.00 WT8 H ATOM 56022 H2 TIP3 2714 38.103 27.294 50.796 1.00 0.00 WT8 H ATOM 56023 OH2 TIP3 5421 34.381 62.785 -5.757 1.00 0.00 WT8 O ATOM 56024 H1 TIP3 5421 34.619 63.614 -6.171 1.00 0.00 WT8 H ATOM 56025 H2 TIP3 5421 33.429 62.829 -5.662 1.00 0.00 WT8 H ATOM 56026 OH2 TIP3 6240 84.142 58.632 -17.844 1.00 0.00 WT8 O ATOM 56027 H1 TIP3 6240 84.266 57.873 -18.414 1.00 0.00 WT8 H ATOM 56028 H2 TIP3 6240 84.750 59.289 -18.184 1.00 0.00 WT8 H ATOM 56029 OH2 TIP3 6350 53.910 82.201 32.084 1.00 0.00 WT8 O ATOM 56030 H1 TIP3 6350 53.262 81.688 31.602 1.00 0.00 WT8 H ATOM 56031 H2 TIP3 6350 54.646 81.602 32.210 1.00 0.00 WT8 H ATOM 56032 OH2 TIP3 6671 88.181 74.321 48.065 1.00 0.00 WT8 O ATOM 56033 H1 TIP3 6671 87.795 74.000 48.879 1.00 0.00 WT8 H ATOM 56034 H2 TIP3 6671 87.487 74.838 47.657 1.00 0.00 WT8 H ATOM 56035 OH2 TIP3 7563 86.972 17.101 40.272 1.00 0.00 WT8 O ATOM 56036 H1 TIP3 7563 87.560 17.608 39.712 1.00 0.00 WT8 H ATOM 56037 H2 TIP3 7563 86.376 16.665 39.663 1.00 0.00 WT8 H ATOM 56038 OH2 TIP3 7583 37.629 35.179 30.032 1.00 0.00 WT8 O ATOM 56039 H1 TIP3 7583 38.533 35.333 30.305 1.00 0.00 WT8 H ATOM 56040 H2 TIP3 7583 37.228 36.048 30.025 1.00 0.00 WT8 H ATOM 56041 OH2 TIP3 7607 24.576 40.765 29.124 1.00 0.00 WT8 O ATOM 56042 H1 TIP3 7607 25.012 41.177 29.869 1.00 0.00 WT8 H ATOM 56043 H2 TIP3 7607 23.725 41.200 29.073 1.00 0.00 WT8 H ATOM 56044 OH2 TIP3 7630 22.748 62.027 21.768 1.00 0.00 WT8 O ATOM 56045 H1 TIP3 7630 22.908 61.491 20.991 1.00 0.00 WT8 H ATOM 56046 H2 TIP3 7630 22.012 61.600 22.206 1.00 0.00 WT8 H ATOM 56047 OH2 TIP3 7631 73.630 43.169 -18.556 1.00 0.00 WT8 O ATOM 56048 H1 TIP3 7631 72.948 43.785 -18.291 1.00 0.00 WT8 H ATOM 56049 H2 TIP3 7631 74.287 43.711 -18.992 1.00 0.00 WT8 H ATOM 56050 OH2 TIP3 7647 75.221 0.026 41.680 1.00 0.00 WT8 O ATOM 56051 H1 TIP3 7647 74.922 0.524 40.919 1.00 0.00 WT8 H ATOM 56052 H2 TIP3 7647 75.988 0.504 41.994 1.00 0.00 WT8 H ATOM 56053 OH2 TIP3 7650 57.490 13.365 -5.121 1.00 0.00 WT8 O ATOM 56054 H1 TIP3 7650 57.480 13.123 -6.047 1.00 0.00 WT8 H ATOM 56055 H2 TIP3 7650 57.830 12.591 -4.673 1.00 0.00 WT8 H ATOM 56056 OH2 TIP3 7707 83.978 63.236 23.251 1.00 0.00 WT8 O ATOM 56057 H1 TIP3 7707 83.563 62.639 23.874 1.00 0.00 WT8 H ATOM 56058 H2 TIP3 7707 83.549 63.049 22.416 1.00 0.00 WT8 H ATOM 56059 OH2 TIP3 7961 35.664 59.376 38.212 1.00 0.00 WT8 O ATOM 56060 H1 TIP3 7961 35.403 59.828 37.409 1.00 0.00 WT8 H ATOM 56061 H2 TIP3 7961 36.462 59.824 38.492 1.00 0.00 WT8 H ATOM 56062 OH2 TIP3 7985 24.943 26.221 47.513 1.00 0.00 WT8 O ATOM 56063 H1 TIP3 7985 24.282 26.089 46.834 1.00 0.00 WT8 H ATOM 56064 H2 TIP3 7985 24.489 26.026 48.332 1.00 0.00 WT8 H ATOM 56065 OH2 TIP3 8023 40.306 4.603 43.491 1.00 0.00 WT8 O ATOM 56066 H1 TIP3 8023 40.406 5.430 43.020 1.00 0.00 WT8 H ATOM 56067 H2 TIP3 8023 41.175 4.426 43.852 1.00 0.00 WT8 H ATOM 56068 OH2 TIP3 8024 23.959 64.439 21.600 1.00 0.00 WT8 O ATOM 56069 H1 TIP3 8024 24.099 64.322 22.539 1.00 0.00 WT8 H ATOM 56070 H2 TIP3 8024 23.604 63.601 21.304 1.00 0.00 WT8 H ATOM 56071 OH2 TIP3 8046 65.185 88.249 46.180 1.00 0.00 WT8 O ATOM 56072 H1 TIP3 8046 64.484 88.852 45.931 1.00 0.00 WT8 H ATOM 56073 H2 TIP3 8046 65.236 88.322 47.133 1.00 0.00 WT8 H ATOM 56074 OH2 TIP3 8064 25.523 31.590 10.716 1.00 0.00 WT8 O ATOM 56075 H1 TIP3 8064 26.211 30.939 10.849 1.00 0.00 WT8 H ATOM 56076 H2 TIP3 8064 25.323 31.911 11.595 1.00 0.00 WT8 H ATOM 56077 OH2 TIP3 8067 46.154 19.743 -10.408 1.00 0.00 WT8 O ATOM 56078 H1 TIP3 8067 45.763 19.208 -11.098 1.00 0.00 WT8 H ATOM 56079 H2 TIP3 8067 46.691 19.130 -9.904 1.00 0.00 WT8 H ATOM 56080 OH2 TIP3 8068 52.411 26.886 61.119 1.00 0.00 WT8 O ATOM 56081 H1 TIP3 8068 52.830 26.312 60.477 1.00 0.00 WT8 H ATOM 56082 H2 TIP3 8068 51.743 27.357 60.621 1.00 0.00 WT8 H ATOM 56083 OH2 TIP3 8174 81.170 51.211 54.745 1.00 0.00 WT8 O ATOM 56084 H1 TIP3 8174 81.045 52.116 54.460 1.00 0.00 WT8 H ATOM 56085 H2 TIP3 8174 80.788 50.683 54.044 1.00 0.00 WT8 H ATOM 56086 OH2 TIP3 8403 39.269 10.297 34.340 1.00 0.00 WT8 O ATOM 56087 H1 TIP3 8403 39.451 10.261 33.401 1.00 0.00 WT8 H ATOM 56088 H2 TIP3 8403 38.819 11.132 34.465 1.00 0.00 WT8 H ATOM 56089 OH2 TIP3 8411 83.874 70.545 45.315 1.00 0.00 WT8 O ATOM 56090 H1 TIP3 8411 83.422 71.184 44.764 1.00 0.00 WT8 H ATOM 56091 H2 TIP3 8411 83.585 69.695 44.982 1.00 0.00 WT8 H ATOM 56092 OH2 TIP3 8425 51.803 71.743 45.846 1.00 0.00 WT8 O ATOM 56093 H1 TIP3 8425 50.948 71.992 46.196 1.00 0.00 WT8 H ATOM 56094 H2 TIP3 8425 51.670 70.866 45.488 1.00 0.00 WT8 H ATOM 56095 OH2 TIP3 8466 67.207 3.651 -8.099 1.00 0.00 WT8 O ATOM 56096 H1 TIP3 8466 67.244 4.607 -8.049 1.00 0.00 WT8 H ATOM 56097 H2 TIP3 8466 67.799 3.425 -8.816 1.00 0.00 WT8 H ATOM 56098 OH2 TIP3 8468 20.652 1.148 43.633 1.00 0.00 WT8 O ATOM 56099 H1 TIP3 8468 21.338 1.750 43.344 1.00 0.00 WT8 H ATOM 56100 H2 TIP3 8468 20.886 0.310 43.234 1.00 0.00 WT8 H ATOM 56101 OH2 TIP3 8534 64.711 32.783 41.085 1.00 0.00 WT8 O ATOM 56102 H1 TIP3 8534 64.762 33.623 40.630 1.00 0.00 WT8 H ATOM 56103 H2 TIP3 8534 65.051 32.963 41.961 1.00 0.00 WT8 H ATOM 56104 OH2 TIP3 8536 62.676 4.976 63.268 1.00 0.00 WT8 O ATOM 56105 H1 TIP3 8536 62.933 5.635 62.623 1.00 0.00 WT8 H ATOM 56106 H2 TIP3 8536 63.322 4.277 63.167 1.00 0.00 WT8 H ATOM 56107 OH2 TIP3 8549 88.013 75.240 -3.785 1.00 0.00 WT8 O ATOM 56108 H1 TIP3 8549 87.635 75.284 -4.663 1.00 0.00 WT8 H ATOM 56109 H2 TIP3 8549 87.260 75.117 -3.206 1.00 0.00 WT8 H ATOM 56110 OH2 TIP3 8556 28.189 78.829 -14.837 1.00 0.00 WT8 O ATOM 56111 H1 TIP3 8556 28.622 78.734 -15.685 1.00 0.00 WT8 H ATOM 56112 H2 TIP3 8556 28.822 78.490 -14.205 1.00 0.00 WT8 H ATOM 56113 OH2 TIP3 8558 85.299 74.345 -4.997 1.00 0.00 WT8 O ATOM 56114 H1 TIP3 8558 85.033 74.342 -5.917 1.00 0.00 WT8 H ATOM 56115 H2 TIP3 8558 84.580 73.910 -4.538 1.00 0.00 WT8 H ATOM 56116 OH2 TIP3 8574 68.721 88.335 18.295 1.00 0.00 WT8 O ATOM 56117 H1 TIP3 8574 69.476 88.289 18.881 1.00 0.00 WT8 H ATOM 56118 H2 TIP3 8574 68.178 87.586 18.542 1.00 0.00 WT8 H ATOM 56119 OH2 TIP3 8780 27.249 79.149 38.652 1.00 0.00 WT8 O ATOM 56120 H1 TIP3 8780 26.355 78.809 38.690 1.00 0.00 WT8 H ATOM 56121 H2 TIP3 8780 27.743 78.472 38.190 1.00 0.00 WT8 H ATOM 56122 OH2 TIP3 8822 78.501 47.869 58.548 1.00 0.00 WT8 O ATOM 56123 H1 TIP3 8822 78.349 48.619 57.972 1.00 0.00 WT8 H ATOM 56124 H2 TIP3 8822 79.091 48.202 59.225 1.00 0.00 WT8 H ATOM 56125 OH2 TIP3 8845 44.004 49.517 -15.544 1.00 0.00 WT8 O ATOM 56126 H1 TIP3 8845 43.334 50.107 -15.891 1.00 0.00 WT8 H ATOM 56127 H2 TIP3 8845 44.583 50.085 -15.035 1.00 0.00 WT8 H ATOM 56128 OH2 TIP3 8927 31.416 21.535 -8.649 1.00 0.00 WT8 O ATOM 56129 H1 TIP3 8927 30.910 21.669 -7.847 1.00 0.00 WT8 H ATOM 56130 H2 TIP3 8927 32.327 21.657 -8.380 1.00 0.00 WT8 H ATOM 56131 OH2 TIP3 8935 61.534 58.663 29.373 1.00 0.00 WT8 O ATOM 56132 H1 TIP3 8935 60.680 59.082 29.264 1.00 0.00 WT8 H ATOM 56133 H2 TIP3 8935 61.392 57.755 29.106 1.00 0.00 WT8 H ATOM 56134 OH2 TIP3 8972 50.446 91.847 6.368 1.00 0.00 WT8 O ATOM 56135 H1 TIP3 8972 49.665 92.150 6.831 1.00 0.00 WT8 H ATOM 56136 H2 TIP3 8972 50.935 91.350 7.023 1.00 0.00 WT8 H ATOM 56137 OH2 TIP3 8973 47.658 8.069 -8.128 1.00 0.00 WT8 O ATOM 56138 H1 TIP3 8973 46.990 8.706 -8.380 1.00 0.00 WT8 H ATOM 56139 H2 TIP3 8973 47.756 8.183 -7.183 1.00 0.00 WT8 H ATOM 56140 OH2 TIP3 8977 31.343 69.222 61.765 1.00 0.00 WT8 O ATOM 56141 H1 TIP3 8977 31.866 68.420 61.737 1.00 0.00 WT8 H ATOM 56142 H2 TIP3 8977 31.844 69.815 62.325 1.00 0.00 WT8 H ATOM 56143 OH2 TIP3 8988 27.322 81.508 66.814 1.00 0.00 WT8 O ATOM 56144 H1 TIP3 8988 28.211 81.773 66.576 1.00 0.00 WT8 H ATOM 56145 H2 TIP3 8988 27.428 81.019 67.630 1.00 0.00 WT8 H ATOM 56146 OH2 TIP3 9055 32.381 74.604 56.118 1.00 0.00 WT8 O ATOM 56147 H1 TIP3 9055 31.807 73.900 55.814 1.00 0.00 WT8 H ATOM 56148 H2 TIP3 9055 32.261 75.305 55.478 1.00 0.00 WT8 H ATOM 56149 OH2 TIP3 9096 73.427 45.789 46.247 1.00 0.00 WT8 O ATOM 56150 H1 TIP3 9096 74.045 45.330 46.816 1.00 0.00 WT8 H ATOM 56151 H2 TIP3 9096 73.583 45.423 45.377 1.00 0.00 WT8 H ATOM 56152 OH2 TIP3 9250 82.900 6.406 34.874 1.00 0.00 WT8 O ATOM 56153 H1 TIP3 9250 82.577 5.811 35.551 1.00 0.00 WT8 H ATOM 56154 H2 TIP3 9250 83.551 5.893 34.395 1.00 0.00 WT8 H ATOM 56155 SOD SOD 1 83.287 73.767 3.082 1.00 0.00 ION NA ATOM 56156 SOD SOD 2 42.300 79.778 6.297 1.00 0.00 ION NA ATOM 56157 SOD SOD 3 60.524 64.929 64.902 1.00 0.00 ION NA ATOM 56158 SOD SOD 4 57.772 12.787 56.534 1.00 0.00 ION NA ATOM 56159 SOD SOD 5 80.021 21.164 66.037 1.00 0.00 ION NA ATOM 56160 SOD SOD 6 63.200 25.988 -7.231 1.00 0.00 ION NA ATOM 56161 SOD SOD 7 86.157 74.409 52.231 1.00 0.00 ION NA ATOM 56162 SOD SOD 8 68.968 33.647 28.432 1.00 0.00 ION NA ATOM 56163 SOD SOD 9 66.813 41.052 1.142 1.00 0.00 ION NA ATOM 56164 SOD SOD 10 67.421 26.734 11.668 1.00 0.00 ION NA ATOM 56165 SOD SOD 11 36.891 78.187 -17.327 1.00 0.00 ION NA ATOM 56166 SOD SOD 12 66.840 29.693 37.140 1.00 0.00 ION NA ATOM 56167 SOD SOD 13 65.714 1.291 12.853 1.00 0.00 ION NA ATOM 56168 SOD SOD 14 22.584 69.231 63.519 1.00 0.00 ION NA ATOM 56169 SOD SOD 15 21.313 78.210 45.170 1.00 0.00 ION NA ATOM 56170 SOD SOD 16 44.481 43.990 -9.490 1.00 0.00 ION NA ATOM 56171 SOD SOD 17 77.783 40.464 2.204 1.00 0.00 ION NA ATOM 56172 SOD SOD 18 31.666 29.674 36.158 1.00 0.00 ION NA ATOM 56173 SOD SOD 19 59.479 82.036 -14.368 1.00 0.00 ION NA ATOM 56174 SOD SOD 20 62.005 84.136 -0.368 1.00 0.00 ION NA ATOM 56175 SOD SOD 21 21.600 58.010 34.835 1.00 0.00 ION NA ATOM 56176 SOD SOD 22 59.857 73.500 54.541 1.00 0.00 ION NA ATOM 56177 SOD SOD 23 78.937 69.030 58.684 1.00 0.00 ION NA ATOM 56178 SOD SOD 24 37.424 31.973 3.338 1.00 0.00 ION NA ATOM 56179 SOD SOD 25 89.169 1.574 -3.470 1.00 0.00 ION NA ATOM 56180 SOD SOD 26 36.430 60.631 63.150 1.00 0.00 ION NA ATOM 56181 SOD SOD 27 77.595 88.078 -3.342 1.00 0.00 ION NA ATOM 56182 SOD SOD 28 54.176 95.401 -1.643 1.00 0.00 ION NA ATOM 56183 SOD SOD 29 68.667 43.999 51.723 1.00 0.00 ION NA ATOM 56184 SOD SOD 30 87.800 91.277 63.190 1.00 0.00 ION NA ATOM 56185 SOD SOD 31 44.840 18.061 63.728 1.00 0.00 ION NA ATOM 56186 SOD SOD 32 59.494 77.459 27.756 1.00 0.00 ION NA ATOM 56187 SOD SOD 33 76.745 17.267 59.349 1.00 0.00 ION NA ATOM 56188 SOD SOD 34 65.969 21.375 54.628 1.00 0.00 ION NA ATOM 56189 SOD SOD 35 73.299 79.565 4.577 1.00 0.00 ION NA ATOM 56190 SOD SOD 36 75.969 41.024 60.123 1.00 0.00 ION NA ATOM 56191 SOD SOD 37 79.463 91.199 58.889 1.00 0.00 ION NA ATOM 56192 SOD SOD 38 73.023 90.570 12.023 1.00 0.00 ION NA ATOM 56193 SOD SOD 39 34.690 92.353 30.946 1.00 0.00 ION NA ATOM 56194 SOD SOD 40 46.400 45.076 4.328 1.00 0.00 ION NA ATOM 56195 SOD SOD 41 42.719 38.035 -18.986 1.00 0.00 ION NA ATOM 56196 SOD SOD 42 71.853 36.635 41.949 1.00 0.00 ION NA ATOM 56197 SOD SOD 43 61.257 21.418 63.352 1.00 0.00 ION NA ATOM 56198 SOD SOD 44 85.863 59.539 -10.335 1.00 0.00 ION NA ATOM 56199 SOD SOD 45 80.557 72.755 11.524 1.00 0.00 ION NA ATOM 56200 SOD SOD 46 76.828 74.429 -17.156 1.00 0.00 ION NA ATOM 56201 SOD SOD 47 75.691 81.948 15.165 1.00 0.00 ION NA ATOM 56202 SOD SOD 48 72.459 41.357 -16.416 1.00 0.00 ION NA ATOM 56203 SOD SOD 49 53.057 93.597 62.764 1.00 0.00 ION NA ATOM 56204 SOD SOD 50 23.300 84.474 4.768 1.00 0.00 ION NA ATOM 56205 SOD SOD 51 34.251 74.542 25.927 1.00 0.00 ION NA ATOM 56206 SOD SOD 52 39.571 6.095 35.533 1.00 0.00 ION NA ATOM 56207 SOD SOD 53 46.648 3.825 -6.454 1.00 0.00 ION NA ATOM 56208 SOD SOD 54 37.356 70.252 56.110 1.00 0.00 ION NA ATOM 56209 SOD SOD 55 78.704 47.985 33.464 1.00 0.00 ION NA ATOM 56210 SOD SOD 56 52.961 22.984 37.698 1.00 0.00 ION NA ATOM 56211 SOD SOD 57 86.352 34.798 -10.628 1.00 0.00 ION NA ATOM 56212 SOD SOD 58 56.369 14.273 -12.085 1.00 0.00 ION NA ATOM 56213 SOD SOD 59 88.270 72.979 66.801 1.00 0.00 ION NA ATOM 56214 SOD SOD 60 65.520 45.384 62.566 1.00 0.00 ION NA ATOM 56215 SOD SOD 61 20.362 9.116 53.836 1.00 0.00 ION NA ATOM 56216 SOD SOD 62 26.936 49.492 38.235 1.00 0.00 ION NA ATOM 56217 SOD SOD 63 84.573 52.085 43.668 1.00 0.00 ION NA ATOM 56218 SOD SOD 64 56.992 15.502 23.636 1.00 0.00 ION NA ATOM 56219 SOD SOD 65 37.919 36.168 54.912 1.00 0.00 ION NA ATOM 56220 SOD SOD 66 86.043 9.117 38.312 1.00 0.00 ION NA ATOM 56221 SOD SOD 67 28.088 45.220 58.907 1.00 0.00 ION NA ATOM 56222 SOD SOD 68 27.727 35.026 41.671 1.00 0.00 ION NA ATOM 56223 SOD SOD 69 69.435 25.722 -16.102 1.00 0.00 ION NA ATOM 56224 SOD SOD 70 51.683 11.716 -1.841 1.00 0.00 ION NA ATOM 56225 SOD SOD 71 47.083 23.157 -18.485 1.00 0.00 ION NA ATOM 56226 SOD SOD 72 35.324 48.410 39.670 1.00 0.00 ION NA ATOM 56227 SOD SOD 73 30.090 57.819 42.863 1.00 0.00 ION NA ATOM 56228 SOD SOD 74 32.292 50.457 32.007 1.00 0.00 ION NA ATOM 56229 SOD SOD 75 25.377 7.625 5.696 1.00 0.00 ION NA ATOM 56230 SOD SOD 76 69.950 30.215 57.729 1.00 0.00 ION NA ATOM 56231 SOD SOD 77 20.586 93.271 46.104 1.00 0.00 ION NA ATOM 56232 SOD SOD 78 56.111 4.187 24.837 1.00 0.00 ION NA ATOM 56233 SOD SOD 79 23.372 29.780 55.689 1.00 0.00 ION NA ATOM 56234 SOD SOD 80 62.057 68.612 41.720 1.00 0.00 ION NA END